smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[N@H+](C)C[C@@H](C)CN 37109515 1169075347 /nfs/dbraw/zinc/07/53/47/1169075347.db2.gz ZZFYFRYVCUOLND-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@@H](C)CN 37109515 1169075357 /nfs/dbraw/zinc/07/53/57/1169075357.db2.gz ZZFYFRYVCUOLND-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)C[C@@H](C)CN 37109514 1169076581 /nfs/dbraw/zinc/07/65/81/1169076581.db2.gz ZZFYFRYVCUOLND-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C)[N@H+](C)C[C@@H](C)CN 37109514 1169076571 /nfs/dbraw/zinc/07/65/71/1169076571.db2.gz ZZFYFRYVCUOLND-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CCC(C)(C)[NH2+]C1CCNCC1 38040468 1169078688 /nfs/dbraw/zinc/07/86/88/1169078688.db2.gz UQOSSMPXHYHMKM-UHFFFAOYSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)(C)[NH2+]C1CCNCC1 38040457 1169079886 /nfs/dbraw/zinc/07/98/86/1169079886.db2.gz LBURSXFVLVLMIH-UHFFFAOYSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCC[C@H](C)N1CC[C@H]([NH3+])C1 50889000 1169093068 /nfs/dbraw/zinc/09/30/68/1169093068.db2.gz MLQNCQUPYZSLBV-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccco1 54345878 1169094139 /nfs/dbraw/zinc/09/41/39/1169094139.db2.gz YYGHSSPRYOIIBK-NXEZZACHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccco1 54345878 1169094146 /nfs/dbraw/zinc/09/41/46/1169094146.db2.gz YYGHSSPRYOIIBK-NXEZZACHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](Cc1ccco1)NC[C@H](C)C[NH3+] 54345875 1169095842 /nfs/dbraw/zinc/09/58/42/1169095842.db2.gz YYGHSSPRYOIIBK-ZJUUUORDSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](Cc1ccco1)[NH2+]C[C@H](C)CN 54345875 1169095852 /nfs/dbraw/zinc/09/58/52/1169095852.db2.gz YYGHSSPRYOIIBK-ZJUUUORDSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccco1 54345870 1169096392 /nfs/dbraw/zinc/09/63/92/1169096392.db2.gz YYGHSSPRYOIIBK-UWVGGRQHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccco1 54345870 1169096403 /nfs/dbraw/zinc/09/64/03/1169096403.db2.gz YYGHSSPRYOIIBK-UWVGGRQHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](C[NH3+])CN[C@H](C)Cc1ccco1 54345872 1169097228 /nfs/dbraw/zinc/09/72/28/1169097228.db2.gz YYGHSSPRYOIIBK-VHSXEESVSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@H](C)Cc1ccco1 54345872 1169097235 /nfs/dbraw/zinc/09/72/35/1169097235.db2.gz YYGHSSPRYOIIBK-VHSXEESVSA-N 1 3 196.294 1.395 10 0 ADAEHO CCC[N@@H+]1CCC[C@H](N)CC1 83421200 1169111990 /nfs/dbraw/zinc/11/19/90/1169111990.db2.gz DYYYBVFLTRHINY-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[N@H+]1CCC[C@H](N)CC1 83421200 1169111994 /nfs/dbraw/zinc/11/19/94/1169111994.db2.gz DYYYBVFLTRHINY-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[N@@H+]1CCC[C@@H](N)CC1 83421212 1169112215 /nfs/dbraw/zinc/11/22/15/1169112215.db2.gz DYYYBVFLTRHINY-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[N@H+]1CCC[C@@H](N)CC1 83421212 1169112219 /nfs/dbraw/zinc/11/22/19/1169112219.db2.gz DYYYBVFLTRHINY-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CC(C)(C)N[C@@H]1CCC[NH2+]C1 84427169 1169119034 /nfs/dbraw/zinc/11/90/34/1169119034.db2.gz KCLSICOSTLDGAL-MRVPVSSYSA-N 1 3 156.273 1.127 10 0 ADAEHO CC(C)(C)N[C@H]1CCC[NH2+]C1 84427170 1169119269 /nfs/dbraw/zinc/11/92/69/1169119269.db2.gz KCLSICOSTLDGAL-QMMMGPOBSA-N 1 3 156.273 1.127 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@H]1CN 757215144 673917339 /nfs/dbraw/zinc/91/73/39/673917339.db2.gz MPOCORCYUYZBMY-VWYCJHECSA-N 1 3 184.327 1.748 10 0 ADAEHO CCCC[C@H]1CC[C@@H](CN)C[NH2+]1 757213263 673917309 /nfs/dbraw/zinc/91/73/09/673917309.db2.gz JBBZYIRSSPCFIJ-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H]1C[C@H](N)C[NH2+][C@@H]1c1ccccc1 757216884 673917319 /nfs/dbraw/zinc/91/73/19/673917319.db2.gz QZWUQEVCOLLPKN-USWWRNFRSA-N 1 3 190.290 1.684 10 0 ADAEHO CC(C)C[C@@H]1C[NH2+]C[C@H](CN)C1 757216031 673917432 /nfs/dbraw/zinc/91/74/32/673917432.db2.gz ONESYVYXEPGSQM-UWVGGRQHSA-N 1 3 170.300 1.217 10 0 ADAEHO CCCC[C@@H]1CC[C@H](CN)C[NH2+]1 757213262 673917487 /nfs/dbraw/zinc/91/74/87/673917487.db2.gz JBBZYIRSSPCFIJ-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@@H]1c1ccccc1 757216883 673917505 /nfs/dbraw/zinc/91/75/05/673917505.db2.gz QZWUQEVCOLLPKN-JLLWLGSASA-N 1 3 190.290 1.684 10 0 ADAEHO CCCC[C@H]1CC[C@H](CN)C[NH2+]1 757213271 673917545 /nfs/dbraw/zinc/91/75/45/673917545.db2.gz JBBZYIRSSPCFIJ-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)C[C@H]1C[NH2+]C[C@H](CN)C1 757216034 673917458 /nfs/dbraw/zinc/91/74/58/673917458.db2.gz ONESYVYXEPGSQM-ZJUUUORDSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)C[C@@H]1C[NH2+]C[C@@H](CN)C1 757216033 673917560 /nfs/dbraw/zinc/91/75/60/673917560.db2.gz ONESYVYXEPGSQM-VHSXEESVSA-N 1 3 170.300 1.217 10 0 ADAEHO CCCC[C@@H]1CC[C@@H](CN)C[NH2+]1 757213265 673917645 /nfs/dbraw/zinc/91/76/45/673917645.db2.gz JBBZYIRSSPCFIJ-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H]1C[C@H](N)C[NH2+][C@H]1c1ccccc1 757216882 673917678 /nfs/dbraw/zinc/91/76/78/673917678.db2.gz QZWUQEVCOLLPKN-ADEWGFFLSA-N 1 3 190.290 1.684 10 0 ADAEHO CC(C)C[C@H]1C[NH2+]C[C@@H](CN)C1 757216029 673917693 /nfs/dbraw/zinc/91/76/93/673917693.db2.gz ONESYVYXEPGSQM-NXEZZACHSA-N 1 3 170.300 1.217 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@H]1c1ccccc1 757216885 673917701 /nfs/dbraw/zinc/91/77/01/673917701.db2.gz QZWUQEVCOLLPKN-YUSALJHKSA-N 1 3 190.290 1.684 10 0 ADAEHO CC[C@@H]1C[C@H]1CN1C[C@H](C)[C@@H]([NH3+])C1 723115864 673924499 /nfs/dbraw/zinc/92/44/99/673924499.db2.gz PRZYOEJDVGGRNA-VLEAKVRGSA-N 1 3 182.311 1.312 10 0 ADAEHO CC[C@@H]1C[C@H]1CN1C[C@@H](C)[C@@H]([NH3+])C1 723115866 673924534 /nfs/dbraw/zinc/92/45/34/673924534.db2.gz PRZYOEJDVGGRNA-ZNSHCXBVSA-N 1 3 182.311 1.312 10 0 ADAEHO CC[C@@H]1C[C@H]1CN1C[C@H](C)[C@H]([NH3+])C1 723115868 673924547 /nfs/dbraw/zinc/92/45/47/673924547.db2.gz PRZYOEJDVGGRNA-ZRUFSTJUSA-N 1 3 182.311 1.312 10 0 ADAEHO CCC[C@@H](C)CN1C[C@@H]([NH3+])[C@H](C)C1 723471647 673928301 /nfs/dbraw/zinc/92/83/01/673928301.db2.gz CWUSSRAGFGDHQF-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C1=CCC(CC[NH2+]C2CCNCC2)C1 724188184 673934932 /nfs/dbraw/zinc/93/49/32/673934932.db2.gz XKRZXJXSELLVKW-UHFFFAOYSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@H]([NH2+]CCC1CC=CC1)C1CNC1 724204954 673934997 /nfs/dbraw/zinc/93/49/97/673934997.db2.gz KMPOKRLSGOUGAH-JTQLQIEISA-N 1 3 194.322 1.540 10 0 ADAEHO C[C@@H]([NH2+]CCC1CC=CC1)C1CNC1 724204956 673935022 /nfs/dbraw/zinc/93/50/22/673935022.db2.gz KMPOKRLSGOUGAH-SNVBAGLBSA-N 1 3 194.322 1.540 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@H](C)[C@@H]1CC1(C)C 925783183 673950816 /nfs/dbraw/zinc/95/08/16/673950816.db2.gz ITUIAYMIYGJVFL-CHWFTXMASA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@H](C)[C@H]1CC1(C)C 925783185 673950841 /nfs/dbraw/zinc/95/08/41/673950841.db2.gz ITUIAYMIYGJVFL-GWOFURMSSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CC1(C)C 925783187 673950919 /nfs/dbraw/zinc/95/09/19/673950919.db2.gz ITUIAYMIYGJVFL-LMLFDSFASA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@H](C)C(C)(C)C 925785072 673950939 /nfs/dbraw/zinc/95/09/39/673950939.db2.gz UXWIGPDLYPDHLZ-OPRDCNLKSA-N 1 3 184.327 1.619 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C(C)(C)C 925785052 673951010 /nfs/dbraw/zinc/95/10/10/673951010.db2.gz UXWIGPDLYPDHLZ-KXUCPTDWSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1C[C@@H]1C 925784350 673951118 /nfs/dbraw/zinc/95/11/18/673951118.db2.gz MTTLTGUGJYKISE-MTVMDMGHSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1C[C@H]1C 925784348 673951123 /nfs/dbraw/zinc/95/11/23/673951123.db2.gz MTTLTGUGJYKISE-LDMBFOFVSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CC1(C)C 925783188 673951128 /nfs/dbraw/zinc/95/11/28/673951128.db2.gz ITUIAYMIYGJVFL-VPOLOUISSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1C[C@H]1C 925784351 673951144 /nfs/dbraw/zinc/95/11/44/673951144.db2.gz MTTLTGUGJYKISE-PZWNZHSQSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1C[C@@H]1C 925784346 673951147 /nfs/dbraw/zinc/95/11/47/673951147.db2.gz MTTLTGUGJYKISE-KZZRWZIVSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]1C[C@@H](N2CC[C@@H]([NH3+])C2)CC[C@H]1C 130843377 1169182283 /nfs/dbraw/zinc/18/22/83/1169182283.db2.gz OTSJBYNORMRUEK-KXNHARMFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@H](C)[N@H+](CCCNC2CC2)C1 157727344 673968054 /nfs/dbraw/zinc/96/80/54/673968054.db2.gz QBFRACFJPHPEFH-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H](C)[N@@H+](CCCNC2CC2)C1 157727344 673968056 /nfs/dbraw/zinc/96/80/56/673968056.db2.gz QBFRACFJPHPEFH-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1CCCNC1CC1 157727195 673968489 /nfs/dbraw/zinc/96/84/89/673968489.db2.gz QBFRACFJPHPEFH-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1CCCNC1CC1 157727195 673968492 /nfs/dbraw/zinc/96/84/92/673968492.db2.gz QBFRACFJPHPEFH-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@H+](CCCNC2CC2)C1 157727491 673968575 /nfs/dbraw/zinc/96/85/75/673968575.db2.gz QBFRACFJPHPEFH-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@@H+](CCCNC2CC2)C1 157727491 673968577 /nfs/dbraw/zinc/96/85/77/673968577.db2.gz QBFRACFJPHPEFH-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 702097745 673979183 /nfs/dbraw/zinc/97/91/83/673979183.db2.gz ZWXZZBNKMQXNPV-NWDGAFQWSA-N 1 3 196.338 1.718 10 0 ADAEHO CCCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 702092519 673979307 /nfs/dbraw/zinc/97/93/07/673979307.db2.gz JKAPVUAJGKDQAF-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C 704885599 673985646 /nfs/dbraw/zinc/98/56/46/673985646.db2.gz LPOJMRBNILGGDQ-WISYIIOYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CN)C1 708080651 673990379 /nfs/dbraw/zinc/99/03/79/673990379.db2.gz ALKDCUMXUNQGJF-GMTAPVOTSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CN)C1 708080651 673990384 /nfs/dbraw/zinc/99/03/84/673990384.db2.gz ALKDCUMXUNQGJF-GMTAPVOTSA-N 1 3 184.327 1.558 10 0 ADAEHO C[C@@H]1C[N@H+](CCCC2CC2)C[C@H]1CN 708084282 673990991 /nfs/dbraw/zinc/99/09/91/673990991.db2.gz MZRHDHWGOGBGFJ-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1CN 708084282 673990993 /nfs/dbraw/zinc/99/09/93/673990993.db2.gz MZRHDHWGOGBGFJ-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO CCC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CN)C1 708167229 673991221 /nfs/dbraw/zinc/99/12/21/673991221.db2.gz HCOUZPLJRXSZHB-IJLUTSLNSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CN)C1 708167229 673991223 /nfs/dbraw/zinc/99/12/23/673991223.db2.gz HCOUZPLJRXSZHB-IJLUTSLNSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CCCC2CC2)C[C@@H]1CN 708854265 673991413 /nfs/dbraw/zinc/99/14/13/673991413.db2.gz MZRHDHWGOGBGFJ-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CCCC2CC2)C[C@@H]1CN 708854265 673991416 /nfs/dbraw/zinc/99/14/16/673991416.db2.gz MZRHDHWGOGBGFJ-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@H+](CCCC2CC2)C[C@H]1CN 708854264 673991574 /nfs/dbraw/zinc/99/15/74/673991574.db2.gz MZRHDHWGOGBGFJ-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CCCC2CC2)C[C@H]1CN 708854264 673991576 /nfs/dbraw/zinc/99/15/76/673991576.db2.gz MZRHDHWGOGBGFJ-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@H+](CCCC2CC2)C[C@@H]1CN 708854266 673992010 /nfs/dbraw/zinc/99/20/10/673992010.db2.gz MZRHDHWGOGBGFJ-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CCCC2CC2)C[C@@H]1CN 708854266 673992011 /nfs/dbraw/zinc/99/20/11/673992011.db2.gz MZRHDHWGOGBGFJ-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1[C@H](NC2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350126 673992662 /nfs/dbraw/zinc/99/26/62/673992662.db2.gz KERXXUNZPIMUMY-CPOMMVLXSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@H]1[C@@H](NC2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350127 673992930 /nfs/dbraw/zinc/99/29/30/673992930.db2.gz KERXXUNZPIMUMY-DQDDRIPDSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@H]1[C@H](NC2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350122 673993215 /nfs/dbraw/zinc/99/32/15/673993215.db2.gz KERXXUNZPIMUMY-APHKKCJPSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@@H]1[C@@H](NC2CC2)C[C@@H]2CC[C@H]1[NH2+]2 709350124 673993221 /nfs/dbraw/zinc/99/32/21/673993221.db2.gz KERXXUNZPIMUMY-BBHBSTQDSA-N 1 3 180.295 1.267 10 0 ADAEHO C1CCCC([NH2+]CC2CNC2)CCC1 710859442 673997371 /nfs/dbraw/zinc/99/73/71/673997371.db2.gz CVWJLAKVEXENAR-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO C1=C[C@H](C[NH2+]C2CCNCC2)CC1 711762104 674003645 /nfs/dbraw/zinc/00/36/45/674003645.db2.gz YXOUCAKERSDRHG-JTQLQIEISA-N 1 3 180.295 1.294 10 0 ADAEHO C[N@H+](CCCN)CC[C@@H]1C[C@H]1C1CC1 712000170 674004674 /nfs/dbraw/zinc/00/46/74/674004674.db2.gz DOMUSUJQIILCQG-NEPJUHHUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@@H+](CCCN)CC[C@@H]1C[C@H]1C1CC1 712000170 674004675 /nfs/dbraw/zinc/00/46/75/674004675.db2.gz DOMUSUJQIILCQG-NEPJUHHUSA-N 1 3 196.338 1.703 10 0 ADAEHO CN(CCC[NH3+])CC[C@@H]1C[C@H]1C1CC1 712000170 674004676 /nfs/dbraw/zinc/00/46/76/674004676.db2.gz DOMUSUJQIILCQG-NEPJUHHUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@H+](CCCN)CCCC(C)(F)F 713967343 674016997 /nfs/dbraw/zinc/01/69/97/674016997.db2.gz ILQFTDPAQMMSND-UHFFFAOYSA-N 1 3 194.269 1.702 10 0 ADAEHO C[N@@H+](CCCN)CCCC(C)(F)F 713967343 674016998 /nfs/dbraw/zinc/01/69/98/674016998.db2.gz ILQFTDPAQMMSND-UHFFFAOYSA-N 1 3 194.269 1.702 10 0 ADAEHO CN(CCC[NH3+])CCCC(C)(F)F 713967343 674016999 /nfs/dbraw/zinc/01/69/99/674016999.db2.gz ILQFTDPAQMMSND-UHFFFAOYSA-N 1 3 194.269 1.702 10 0 ADAEHO C[C@H]([NH2+]CCCCC1CC1)C1CNC1 716369950 674024841 /nfs/dbraw/zinc/02/48/41/674024841.db2.gz FHRSNTNGCCLHDN-JTQLQIEISA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]([NH2+]CCCCC1CC1)C1CNC1 716369951 674024869 /nfs/dbraw/zinc/02/48/69/674024869.db2.gz FHRSNTNGCCLHDN-SNVBAGLBSA-N 1 3 196.338 1.764 10 0 ADAEHO C(CCC1CC1)C[NH2+]C1CCNCC1 716398285 674024808 /nfs/dbraw/zinc/02/48/08/674024808.db2.gz LUKVUGDGTCGKJP-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H](c2ccccc2)NC1 757209934 674027284 /nfs/dbraw/zinc/02/72/84/674027284.db2.gz DMJYIFNIEGQJPF-CMPLNLGQSA-N 1 3 190.290 1.686 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H](c2ccccc2)NC1 757209935 674027496 /nfs/dbraw/zinc/02/74/96/674027496.db2.gz DMJYIFNIEGQJPF-JQWIXIFHSA-N 1 3 190.290 1.686 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H](c2ccccc2)NC1 757209940 674027392 /nfs/dbraw/zinc/02/73/92/674027392.db2.gz DMJYIFNIEGQJPF-ZYHUDNBSSA-N 1 3 190.290 1.686 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H](c2ccccc2)NC1 757209937 674027452 /nfs/dbraw/zinc/02/74/52/674027452.db2.gz DMJYIFNIEGQJPF-PWSUYJOCSA-N 1 3 190.290 1.686 10 0 ADAEHO NCCC[NH2+]C1CCC=CCC1 718038541 674057530 /nfs/dbraw/zinc/05/75/30/674057530.db2.gz BOKQFARLCSSOTL-UHFFFAOYSA-N 1 3 168.284 1.424 10 0 ADAEHO C1=CCCC([NH2+]C2CCNCC2)CC1 718046659 674057903 /nfs/dbraw/zinc/05/79/03/674057903.db2.gz CNQODYYWHHXEGI-UHFFFAOYSA-N 1 3 194.322 1.827 10 0 ADAEHO C1=CCCC([NH2+][C@@H]2CCNC2)CC1 718040671 674058057 /nfs/dbraw/zinc/05/80/57/674058057.db2.gz TYYKGNVATNHDTH-LLVKDONJSA-N 1 3 180.295 1.437 10 0 ADAEHO C1=CCCC([NH2+][C@H]2CCNC2)CC1 718040673 674058098 /nfs/dbraw/zinc/05/80/98/674058098.db2.gz TYYKGNVATNHDTH-NSHDSACASA-N 1 3 180.295 1.437 10 0 ADAEHO C[C@H]([NH2+]C1CCC=CCC1)C1CNC1 718129082 674059855 /nfs/dbraw/zinc/05/98/55/674059855.db2.gz ONIHYWWVBKOPKY-JTQLQIEISA-N 1 3 194.322 1.683 10 0 ADAEHO C[C@@H]([NH2+]C1CCC=CCC1)C1CNC1 718129084 674059875 /nfs/dbraw/zinc/05/98/75/674059875.db2.gz ONIHYWWVBKOPKY-SNVBAGLBSA-N 1 3 194.322 1.683 10 0 ADAEHO C[N@H+](CCCNC1CC1)CC1CC1 37925760 674063503 /nfs/dbraw/zinc/06/35/03/674063503.db2.gz ZXWXCBUHWHCUCX-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@@H+](CCCNC1CC1)CC1CC1 37925760 674063504 /nfs/dbraw/zinc/06/35/04/674063504.db2.gz ZXWXCBUHWHCUCX-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CN(CCC[NH2+]C1CC1)CC1CC1 37925760 674063506 /nfs/dbraw/zinc/06/35/06/674063506.db2.gz ZXWXCBUHWHCUCX-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CNC[C@@H]1[NH2+]C1CCCC1 720763774 674071469 /nfs/dbraw/zinc/07/14/69/674071469.db2.gz AZSLKSUITOINFH-JTQLQIEISA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)CNC[C@H]1[NH2+]C1CCCC1 720763780 674071519 /nfs/dbraw/zinc/07/15/19/674071519.db2.gz AZSLKSUITOINFH-SNVBAGLBSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 306376676 674072224 /nfs/dbraw/zinc/07/22/24/674072224.db2.gz RLVQGIPJXLBQNV-KXUCPTDWSA-N 1 3 170.300 1.228 10 0 ADAEHO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 721904627 674077789 /nfs/dbraw/zinc/07/77/89/674077789.db2.gz QBLBHZQLDURHMK-CHWFTXMASA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 721904630 674078071 /nfs/dbraw/zinc/07/80/71/674078071.db2.gz QBLBHZQLDURHMK-GWOFURMSSA-N 1 3 184.327 1.619 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C 721903765 674078245 /nfs/dbraw/zinc/07/82/45/674078245.db2.gz LPOJMRBNILGGDQ-DDHJBXDOSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 721904764 674078313 /nfs/dbraw/zinc/07/83/13/674078313.db2.gz RLVQGIPJXLBQNV-OPRDCNLKSA-N 1 3 170.300 1.228 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C 721903767 674078437 /nfs/dbraw/zinc/07/84/37/674078437.db2.gz LPOJMRBNILGGDQ-WHOHXGKFSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](CN)[C@@H](C)C1 723135385 674079095 /nfs/dbraw/zinc/07/90/95/674079095.db2.gz BZPUJIDGQFMGFR-USZNOCQGSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](CN)[C@@H](C)C1 723135385 674079097 /nfs/dbraw/zinc/07/90/97/674079097.db2.gz BZPUJIDGQFMGFR-USZNOCQGSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@H](CN)C1 723135388 674079201 /nfs/dbraw/zinc/07/92/01/674079201.db2.gz BZPUJIDGQFMGFR-WHOHXGKFSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@H](CN)C1 723135388 674079204 /nfs/dbraw/zinc/07/92/04/674079204.db2.gz BZPUJIDGQFMGFR-WHOHXGKFSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 723135389 674079460 /nfs/dbraw/zinc/07/94/60/674079460.db2.gz BZPUJIDGQFMGFR-WYUUTHIRSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@@H](CN)C1 723135389 674079461 /nfs/dbraw/zinc/07/94/61/674079461.db2.gz BZPUJIDGQFMGFR-WYUUTHIRSA-N 1 3 196.338 1.559 10 0 ADAEHO C1C[NH2+]C[C@@]2(C1)CCCN2CC1CC1 211348689 1169325631 /nfs/dbraw/zinc/32/56/31/1169325631.db2.gz FDBUPWRAVLQADR-GFCCVEGCSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@@]2(C1)CCC[N@H+]2CC1CC1 211348689 1169325644 /nfs/dbraw/zinc/32/56/44/1169325644.db2.gz FDBUPWRAVLQADR-GFCCVEGCSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@@]2(C1)CCC[N@@H+]2CC1CC1 211348689 1169325654 /nfs/dbraw/zinc/32/56/54/1169325654.db2.gz FDBUPWRAVLQADR-GFCCVEGCSA-N 1 3 194.322 1.614 10 0 ADAEHO CC(C)C[N@H+]1CC[C@]2(CCCCN2)C1 211344760 1169326346 /nfs/dbraw/zinc/32/63/46/1169326346.db2.gz LZCSAUKVWHUXCL-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@]2(CCCCN2)C1 211344760 1169326340 /nfs/dbraw/zinc/32/63/40/1169326340.db2.gz LZCSAUKVWHUXCL-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@@]2(CCCCN2)C1 211344825 1169326920 /nfs/dbraw/zinc/32/69/20/1169326920.db2.gz LZCSAUKVWHUXCL-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@H+]1CC[C@@]2(CCCCN2)C1 211344825 1169326929 /nfs/dbraw/zinc/32/69/29/1169326929.db2.gz LZCSAUKVWHUXCL-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@@H+]1CCCC[C@H](CN)C1 213155962 1169333495 /nfs/dbraw/zinc/33/34/95/1169333495.db2.gz QQKJSFSZLRPBAJ-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[N@H+]1CCCC[C@H](CN)C1 213155962 1169333503 /nfs/dbraw/zinc/33/35/03/1169333503.db2.gz QQKJSFSZLRPBAJ-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[N@@H+]1CCCC[C@@H](CN)C1 213156021 1169334335 /nfs/dbraw/zinc/33/43/35/1169334335.db2.gz QQKJSFSZLRPBAJ-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[N@H+]1CCCC[C@@H](CN)C1 213156021 1169334343 /nfs/dbraw/zinc/33/43/43/1169334343.db2.gz QQKJSFSZLRPBAJ-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCSC[C@H](C)NC1CC([NH3+])C1 219447996 1169344662 /nfs/dbraw/zinc/34/46/62/1169344662.db2.gz JNRBOROZISOEHX-UEJVZZJDSA-N 1 3 188.340 1.207 10 0 ADAEHO C1CNC[C@H]([N@H+]2C[C@H]3CC[C@@H]2C3)C1 219877573 1169345547 /nfs/dbraw/zinc/34/55/47/1169345547.db2.gz WZTUXOZJJDEGSS-HBNTYKKESA-N 1 3 180.295 1.223 10 0 ADAEHO C1CNC[C@H]([N@@H+]2C[C@H]3CC[C@@H]2C3)C1 219877573 1169345555 /nfs/dbraw/zinc/34/55/55/1169345555.db2.gz WZTUXOZJJDEGSS-HBNTYKKESA-N 1 3 180.295 1.223 10 0 ADAEHO CCSC[C@@H](C)NC1CC([NH3+])C1 219447911 1169346091 /nfs/dbraw/zinc/34/60/91/1169346091.db2.gz JNRBOROZISOEHX-AFPNSQJFSA-N 1 3 188.340 1.207 10 0 ADAEHO CCCC[C@@H](C)N1CC[C@@H]([NH3+])C1 225010837 1169368298 /nfs/dbraw/zinc/36/82/98/1169368298.db2.gz MLQNCQUPYZSLBV-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[C@H](C)N1CC[C@@H]([NH3+])C1 225010880 1169369305 /nfs/dbraw/zinc/36/93/05/1169369305.db2.gz MLQNCQUPYZSLBV-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 226297355 1169376107 /nfs/dbraw/zinc/37/61/07/1169376107.db2.gz JLMBROJIYMFSAY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 226297355 1169376114 /nfs/dbraw/zinc/37/61/14/1169376114.db2.gz JLMBROJIYMFSAY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCN[C@@H](C)C1 229541092 1169385339 /nfs/dbraw/zinc/38/53/39/1169385339.db2.gz JIWOXIHWWIXXMA-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)NC2)C1 228727406 1169381374 /nfs/dbraw/zinc/38/13/74/1169381374.db2.gz XQOHDHVXNWURAQ-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)NC2)C1 228727406 1169381385 /nfs/dbraw/zinc/38/13/85/1169381385.db2.gz XQOHDHVXNWURAQ-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CCSC[C@H](C)[N@@H+]1CC[C@@H](N)C1 228172384 1169383540 /nfs/dbraw/zinc/38/35/40/1169383540.db2.gz SKKYLUAZWHDTDW-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CCSC[C@H](C)[N@H+]1CC[C@@H](N)C1 228172384 1169383548 /nfs/dbraw/zinc/38/35/48/1169383548.db2.gz SKKYLUAZWHDTDW-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CCSC[C@@H](C)[N@@H+]1CC[C@@H](N)C1 228172370 1169383971 /nfs/dbraw/zinc/38/39/71/1169383971.db2.gz SKKYLUAZWHDTDW-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CCSC[C@@H](C)[N@H+]1CC[C@@H](N)C1 228172370 1169383980 /nfs/dbraw/zinc/38/39/80/1169383980.db2.gz SKKYLUAZWHDTDW-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCN[C@@H](C)C1 229541092 1169385329 /nfs/dbraw/zinc/38/53/29/1169385329.db2.gz JIWOXIHWWIXXMA-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229541406 1169385450 /nfs/dbraw/zinc/38/54/50/1169385450.db2.gz VKBHRRGLNATLLI-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229541406 1169385458 /nfs/dbraw/zinc/38/54/58/1169385458.db2.gz VKBHRRGLNATLLI-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CCN[C@@H](C)C1 229541366 1169385749 /nfs/dbraw/zinc/38/57/49/1169385749.db2.gz ZVYONEPMBINKIA-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229541366 1169385763 /nfs/dbraw/zinc/38/57/63/1169385763.db2.gz ZVYONEPMBINKIA-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCN[C@@H](C)C1 229541107 1169386806 /nfs/dbraw/zinc/38/68/06/1169386806.db2.gz JIWOXIHWWIXXMA-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCN[C@@H](C)C1 229541107 1169386818 /nfs/dbraw/zinc/38/68/18/1169386818.db2.gz JIWOXIHWWIXXMA-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CCN[C@@H](C)C1 229538247 1169387047 /nfs/dbraw/zinc/38/70/47/1169387047.db2.gz AJBYMELMMQRCPP-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CCN[C@@H](C)C1 229538247 1169387057 /nfs/dbraw/zinc/38/70/57/1169387057.db2.gz AJBYMELMMQRCPP-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229541357 1169387775 /nfs/dbraw/zinc/38/77/75/1169387775.db2.gz ZVYONEPMBINKIA-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229541357 1169387784 /nfs/dbraw/zinc/38/77/84/1169387784.db2.gz ZVYONEPMBINKIA-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1C[C@H]([N@H+]2CCC[C@H]2C)CCN1 229542867 1169388894 /nfs/dbraw/zinc/38/88/94/1169388894.db2.gz GEIFMYVVRNYQAS-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H]2C)CCN1 229542867 1169388905 /nfs/dbraw/zinc/38/89/05/1169388905.db2.gz GEIFMYVVRNYQAS-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CCN[C@@H](C)C1 229538237 1169389384 /nfs/dbraw/zinc/38/93/84/1169389384.db2.gz AJBYMELMMQRCPP-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CCN[C@@H](C)C1 229538237 1169389392 /nfs/dbraw/zinc/38/93/92/1169389392.db2.gz AJBYMELMMQRCPP-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 229550926 1169390751 /nfs/dbraw/zinc/39/07/51/1169390751.db2.gz LAJPLSAQZVJUKD-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 229550926 1169390760 /nfs/dbraw/zinc/39/07/60/1169390760.db2.gz LAJPLSAQZVJUKD-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CCC(C)(C)C2)CCN1 229549763 1169390968 /nfs/dbraw/zinc/39/09/68/1169390968.db2.gz HCHCEWZNXYSJQL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CCC(C)(C)C2)CCN1 229549763 1169390981 /nfs/dbraw/zinc/39/09/81/1169390981.db2.gz HCHCEWZNXYSJQL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+]2CCC(C)(C)C2)CCN1 229549782 1169391273 /nfs/dbraw/zinc/39/12/73/1169391273.db2.gz HCHCEWZNXYSJQL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+]2CCC(C)(C)C2)CCN1 229549782 1169391290 /nfs/dbraw/zinc/39/12/90/1169391290.db2.gz HCHCEWZNXYSJQL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+]2CCC(C)(C)C2)CCN1 229549789 1169391855 /nfs/dbraw/zinc/39/18/55/1169391855.db2.gz HCHCEWZNXYSJQL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+]2CCC(C)(C)C2)CCN1 229549789 1169391844 /nfs/dbraw/zinc/39/18/44/1169391844.db2.gz HCHCEWZNXYSJQL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+]2CCC(C)(C)C2)CCN1 229549773 1169393009 /nfs/dbraw/zinc/39/30/09/1169393009.db2.gz HCHCEWZNXYSJQL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H]([N@H+]2CCC(C)(C)C2)CCN1 229549773 1169393020 /nfs/dbraw/zinc/39/30/20/1169393020.db2.gz HCHCEWZNXYSJQL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CCN[C@@H](C)C1 232899531 1169409147 /nfs/dbraw/zinc/40/91/47/1169409147.db2.gz VRXDIIXMBDOPCQ-ONGXEEELSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CCN[C@@H](C)C1 232896844 1169409239 /nfs/dbraw/zinc/40/92/39/1169409239.db2.gz VRXDIIXMBDOPCQ-GXSJLCMTSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CCN[C@H](C)C1 232896888 1169410379 /nfs/dbraw/zinc/41/03/79/1169410379.db2.gz VRXDIIXMBDOPCQ-MWLCHTKSSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CCN[C@H](C)C1 232899570 1169410857 /nfs/dbraw/zinc/41/08/57/1169410857.db2.gz VRXDIIXMBDOPCQ-KOLCDFICSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@@H](N)C[NH2+][C@H](C)CC(F)(F)F 233892863 1169411386 /nfs/dbraw/zinc/41/13/86/1169411386.db2.gz UVBLYCRWZASLCE-RNFRBKRXSA-N 1 3 198.232 1.654 10 0 ADAEHO CC[C@@H](N)C[NH2+][C@@H](C)CC(F)(F)F 233892803 1169412995 /nfs/dbraw/zinc/41/29/95/1169412995.db2.gz UVBLYCRWZASLCE-NKWVEPMBSA-N 1 3 198.232 1.654 10 0 ADAEHO CC[C@H](N)C[NH2+][C@@H](C)CC(F)(F)F 234027330 1169414949 /nfs/dbraw/zinc/41/49/49/1169414949.db2.gz UVBLYCRWZASLCE-BQBZGAKWSA-N 1 3 198.232 1.654 10 0 ADAEHO CC[C@H](N)C[NH2+][C@H](C)CC(F)(F)F 234027454 1169417024 /nfs/dbraw/zinc/41/70/24/1169417024.db2.gz UVBLYCRWZASLCE-RQJHMYQMSA-N 1 3 198.232 1.654 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C[C@H]1C 251848459 1169430883 /nfs/dbraw/zinc/43/08/83/1169430883.db2.gz OTSJBYNORMRUEK-KKOKHZNYSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](C)C[C@H](C)CN 252339305 1169433004 /nfs/dbraw/zinc/43/30/04/1169433004.db2.gz ZZFYFRYVCUOLND-BDAKNGLRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@H](C)CN 252339305 1169433006 /nfs/dbraw/zinc/43/30/06/1169433006.db2.gz ZZFYFRYVCUOLND-BDAKNGLRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C)[N@H+](C)C[C@H](C)CN 252339306 1169433110 /nfs/dbraw/zinc/43/31/10/1169433110.db2.gz ZZFYFRYVCUOLND-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)C[C@H](C)CN 252339306 1169433114 /nfs/dbraw/zinc/43/31/14/1169433114.db2.gz ZZFYFRYVCUOLND-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)NC2)C1 252879184 1169433868 /nfs/dbraw/zinc/43/38/68/1169433868.db2.gz XQOHDHVXNWURAQ-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)NC2)C1 252879184 1169433874 /nfs/dbraw/zinc/43/38/74/1169433874.db2.gz XQOHDHVXNWURAQ-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 252743659 1169434146 /nfs/dbraw/zinc/43/41/46/1169434146.db2.gz QCUKLRANIOWJDT-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 252743659 1169434151 /nfs/dbraw/zinc/43/41/51/1169434151.db2.gz QCUKLRANIOWJDT-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)NC2)C1 252879182 1169434815 /nfs/dbraw/zinc/43/48/15/1169434815.db2.gz XQOHDHVXNWURAQ-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)NC2)C1 252879182 1169434818 /nfs/dbraw/zinc/43/48/18/1169434818.db2.gz XQOHDHVXNWURAQ-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252970986 1169436550 /nfs/dbraw/zinc/43/65/50/1169436550.db2.gz ZVYONEPMBINKIA-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCN[C@H](C)C1 252941762 1169436978 /nfs/dbraw/zinc/43/69/78/1169436978.db2.gz JIWOXIHWWIXXMA-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCN[C@H](C)C1 252941761 1169435804 /nfs/dbraw/zinc/43/58/04/1169435804.db2.gz JIWOXIHWWIXXMA-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCN[C@H](C)C1 252941761 1169435809 /nfs/dbraw/zinc/43/58/09/1169435809.db2.gz JIWOXIHWWIXXMA-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CCN[C@H](C)C1 252970988 1169435889 /nfs/dbraw/zinc/43/58/89/1169435889.db2.gz ZVYONEPMBINKIA-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CCN[C@H](C)C1 252970988 1169435892 /nfs/dbraw/zinc/43/58/92/1169435892.db2.gz ZVYONEPMBINKIA-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCN[C@H](C)C1 252961805 1169436044 /nfs/dbraw/zinc/43/60/44/1169436044.db2.gz VKBHRRGLNATLLI-VWYCJHECSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCN[C@H](C)C1 252961805 1169436046 /nfs/dbraw/zinc/43/60/46/1169436046.db2.gz VKBHRRGLNATLLI-VWYCJHECSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 252944129 1169436060 /nfs/dbraw/zinc/43/60/60/1169436060.db2.gz LAJPLSAQZVJUKD-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 252944129 1169436062 /nfs/dbraw/zinc/43/60/62/1169436062.db2.gz LAJPLSAQZVJUKD-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CCN[C@H](C)C1 252930279 1169436258 /nfs/dbraw/zinc/43/62/58/1169436258.db2.gz AJBYMELMMQRCPP-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252930279 1169436264 /nfs/dbraw/zinc/43/62/64/1169436264.db2.gz AJBYMELMMQRCPP-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCN[C@H](C)C1 252961804 1169436280 /nfs/dbraw/zinc/43/62/80/1169436280.db2.gz VKBHRRGLNATLLI-OUAUKWLOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCN[C@H](C)C1 252961804 1169436285 /nfs/dbraw/zinc/43/62/85/1169436285.db2.gz VKBHRRGLNATLLI-OUAUKWLOSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CCN[C@H](C)C1 252930280 1169436316 /nfs/dbraw/zinc/43/63/16/1169436316.db2.gz AJBYMELMMQRCPP-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CCN[C@H](C)C1 252930280 1169436318 /nfs/dbraw/zinc/43/63/18/1169436318.db2.gz AJBYMELMMQRCPP-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CCN[C@H](C)C1 252970986 1169436544 /nfs/dbraw/zinc/43/65/44/1169436544.db2.gz ZVYONEPMBINKIA-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 252944130 1169436735 /nfs/dbraw/zinc/43/67/35/1169436735.db2.gz LAJPLSAQZVJUKD-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 252944130 1169436741 /nfs/dbraw/zinc/43/67/41/1169436741.db2.gz LAJPLSAQZVJUKD-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCN[C@H](C)C1 252941762 1169436985 /nfs/dbraw/zinc/43/69/85/1169436985.db2.gz JIWOXIHWWIXXMA-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCN[C@@H](C)C1 252961803 1169437058 /nfs/dbraw/zinc/43/70/58/1169437058.db2.gz VKBHRRGLNATLLI-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCN[C@@H](C)C1 252961803 1169437062 /nfs/dbraw/zinc/43/70/62/1169437062.db2.gz VKBHRRGLNATLLI-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 252944128 1169437201 /nfs/dbraw/zinc/43/72/01/1169437201.db2.gz LAJPLSAQZVJUKD-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 252944128 1169437209 /nfs/dbraw/zinc/43/72/09/1169437209.db2.gz LAJPLSAQZVJUKD-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CCC[C@](C)(F)CC1 259743078 1169442228 /nfs/dbraw/zinc/44/22/28/1169442228.db2.gz NOVMLXXVRBKWIW-ZJUUUORDSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@@H](N)C[N@H+]1CCC[C@](C)(F)CC1 259743078 1169442238 /nfs/dbraw/zinc/44/22/38/1169442238.db2.gz NOVMLXXVRBKWIW-ZJUUUORDSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@H](N)C[N@@H+]1CCC[C@](C)(F)CC1 259743076 1169443655 /nfs/dbraw/zinc/44/36/55/1169443655.db2.gz NOVMLXXVRBKWIW-UWVGGRQHSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@H](N)C[N@H+]1CCC[C@](C)(F)CC1 259743076 1169443659 /nfs/dbraw/zinc/44/36/59/1169443659.db2.gz NOVMLXXVRBKWIW-UWVGGRQHSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CCC[C@@](C)(F)CC1 259743075 1169443705 /nfs/dbraw/zinc/44/37/05/1169443705.db2.gz NOVMLXXVRBKWIW-NXEZZACHSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@@H](N)C[N@H+]1CCC[C@@](C)(F)CC1 259743075 1169443709 /nfs/dbraw/zinc/44/37/09/1169443709.db2.gz NOVMLXXVRBKWIW-NXEZZACHSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@H](N)C[N@@H+]1CCC[C@@](C)(F)CC1 259743077 1169443936 /nfs/dbraw/zinc/44/39/36/1169443936.db2.gz NOVMLXXVRBKWIW-VHSXEESVSA-N 1 3 188.290 1.548 10 0 ADAEHO C[C@H](N)C[N@H+]1CCC[C@@](C)(F)CC1 259743077 1169443941 /nfs/dbraw/zinc/44/39/41/1169443941.db2.gz NOVMLXXVRBKWIW-VHSXEESVSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@H](N)C[N@H+](C)CCCSC 300778508 1169461704 /nfs/dbraw/zinc/46/17/04/1169461704.db2.gz UBIHTYOYFGYQAU-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CC[C@H](N)C[N@@H+](C)CCCSC 300778508 1169461712 /nfs/dbraw/zinc/46/17/12/1169461712.db2.gz UBIHTYOYFGYQAU-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CC1(C)[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21 306693343 1169487258 /nfs/dbraw/zinc/48/72/58/1169487258.db2.gz SXHWBMVROHWDSC-PHIMTYICSA-N 1 3 194.322 1.326 10 0 ADAEHO CC1(C)[C@H]2C[N@H+](C3CCNCC3)C[C@H]21 306693343 1169487261 /nfs/dbraw/zinc/48/72/61/1169487261.db2.gz SXHWBMVROHWDSC-PHIMTYICSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@@H]1CC[C@@H](N[C@H]2CC=CCC2)C[NH2+]1 307079883 1169500358 /nfs/dbraw/zinc/50/03/58/1169500358.db2.gz FYRJPMDKYLTVAL-GRYCIOLGSA-N 1 3 194.322 1.825 10 0 ADAEHO C[C@@H]1CC[C@@H](N[C@@H]2CC=CCC2)C[NH2+]1 307079884 1169501107 /nfs/dbraw/zinc/50/11/07/1169501107.db2.gz FYRJPMDKYLTVAL-IJLUTSLNSA-N 1 3 194.322 1.825 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H]2CC=CCC2)C[NH2+]1 307079886 1169502599 /nfs/dbraw/zinc/50/25/99/1169502599.db2.gz FYRJPMDKYLTVAL-WOPDTQHZSA-N 1 3 194.322 1.825 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@@H]2CC=CCC2)C[NH2+]1 307079885 1169503443 /nfs/dbraw/zinc/50/34/43/1169503443.db2.gz FYRJPMDKYLTVAL-UTUOFQBUSA-N 1 3 194.322 1.825 10 0 ADAEHO C[C@@H]1CC[C@@H](NCC2CCC2)C[NH2+]1 307228781 1169509711 /nfs/dbraw/zinc/50/97/11/1169509711.db2.gz JYEVIHDWLKLIDS-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@H](NCC2CCC2)C[NH2+]1 307228780 1169509751 /nfs/dbraw/zinc/50/97/51/1169509751.db2.gz JYEVIHDWLKLIDS-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@@H](NCC2CCC2)C[NH2+]1 307228779 1169510852 /nfs/dbraw/zinc/51/08/52/1169510852.db2.gz JYEVIHDWLKLIDS-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@H](NCC2CCC2)C[NH2+]1 307228782 1169511054 /nfs/dbraw/zinc/51/10/54/1169511054.db2.gz JYEVIHDWLKLIDS-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC(CC)[NH+]1CCC(C)(N)CC1 307400893 1169520673 /nfs/dbraw/zinc/52/06/73/1169520673.db2.gz BNGFXIIZIDKROT-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 307441907 1169522385 /nfs/dbraw/zinc/52/23/85/1169522385.db2.gz BQHORLPQCFWPND-PHIMTYICSA-N 1 3 194.322 1.755 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 307441907 1169522391 /nfs/dbraw/zinc/52/23/91/1169522391.db2.gz BQHORLPQCFWPND-PHIMTYICSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@H]1C[C@@H]([NH+]2C3CCC2CC3)CCN1 307482981 1169523124 /nfs/dbraw/zinc/52/31/24/1169523124.db2.gz ZQMMZRRLDIGREB-XKGSQUFQSA-N 1 3 194.322 1.754 10 0 ADAEHO C[C@@H]1C[C@@H]([NH+]2C3CCC2CC3)CCN1 307482982 1169523565 /nfs/dbraw/zinc/52/35/65/1169523565.db2.gz ZQMMZRRLDIGREB-YYJSSNLHSA-N 1 3 194.322 1.754 10 0 ADAEHO C[C@@H]1C[C@H]([NH+]2C3CCC2CC3)CCN1 307482979 1169524081 /nfs/dbraw/zinc/52/40/81/1169524081.db2.gz ZQMMZRRLDIGREB-HBIQZDMRSA-N 1 3 194.322 1.754 10 0 ADAEHO C[C@H]1C[C@H]([NH+]2C3CCC2CC3)CCN1 307482980 1169524512 /nfs/dbraw/zinc/52/45/12/1169524512.db2.gz ZQMMZRRLDIGREB-WNYYMSAVSA-N 1 3 194.322 1.754 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1CCC[C@H](N)CC1 307568468 1169527767 /nfs/dbraw/zinc/52/77/67/1169527767.db2.gz TXCGGMXNDFDSLG-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)C[N@H+]1CCC[C@H](N)CC1 307568468 1169527773 /nfs/dbraw/zinc/52/77/73/1169527773.db2.gz TXCGGMXNDFDSLG-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CCC[C@@H](N)CC1 307568470 1169528477 /nfs/dbraw/zinc/52/84/77/1169528477.db2.gz TXCGGMXNDFDSLG-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)C[N@H+]1CCC[C@@H](N)CC1 307568470 1169528480 /nfs/dbraw/zinc/52/84/80/1169528480.db2.gz TXCGGMXNDFDSLG-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](N)CC1 307568467 1169528757 /nfs/dbraw/zinc/52/87/57/1169528757.db2.gz TXCGGMXNDFDSLG-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)C[N@H+]1CCC[C@@H](N)CC1 307568467 1169528764 /nfs/dbraw/zinc/52/87/64/1169528764.db2.gz TXCGGMXNDFDSLG-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CCC[C@H](N)CC1 307568469 1169529573 /nfs/dbraw/zinc/52/95/73/1169529573.db2.gz TXCGGMXNDFDSLG-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)C[N@H+]1CCC[C@H](N)CC1 307568469 1169529578 /nfs/dbraw/zinc/52/95/78/1169529578.db2.gz TXCGGMXNDFDSLG-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C1CC2(C1)CC[N@@H+](C1CCNCC1)C2 307596807 1169530317 /nfs/dbraw/zinc/53/03/17/1169530317.db2.gz MSOZFYGOAAFJRL-UHFFFAOYSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CC2(C1)CC[N@H+](C1CCNCC1)C2 307596807 1169530324 /nfs/dbraw/zinc/53/03/24/1169530324.db2.gz MSOZFYGOAAFJRL-UHFFFAOYSA-N 1 3 194.322 1.614 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1CCCOC1 307702017 1169536816 /nfs/dbraw/zinc/53/68/16/1169536816.db2.gz SWQUEMCZNPECNW-MXWKQRLJSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1CCCOC1 307702007 1169537465 /nfs/dbraw/zinc/53/74/65/1169537465.db2.gz SWQUEMCZNPECNW-AXFHLTTASA-N 1 3 198.310 1.025 10 0 ADAEHO CCCCCN1CC[C@@H]([NH3+])[C@H]1C 379319808 1169568047 /nfs/dbraw/zinc/56/80/47/1169568047.db2.gz SLXKLWOOHPPEKE-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[N@@H+]1CCCC[C@H](CN)C1 379363521 1169576500 /nfs/dbraw/zinc/57/65/00/1169576500.db2.gz GIKWGTAFOQXMCE-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO CCCC[N@H+]1CCCC[C@H](CN)C1 379363521 1169576505 /nfs/dbraw/zinc/57/65/05/1169576505.db2.gz GIKWGTAFOQXMCE-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO CCCC[N@@H+]1CCCC[C@@H](CN)C1 379363522 1169576592 /nfs/dbraw/zinc/57/65/92/1169576592.db2.gz GIKWGTAFOQXMCE-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO CCCC[N@H+]1CCCC[C@@H](CN)C1 379363522 1169576595 /nfs/dbraw/zinc/57/65/95/1169576595.db2.gz GIKWGTAFOQXMCE-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO CC/C=C\CC[N@@H+]1CCCNCC1 383823520 1169604836 /nfs/dbraw/zinc/60/48/36/1169604836.db2.gz JYYAFRKYUJCUDZ-ARJAWSKDSA-N 1 3 182.311 1.638 10 0 ADAEHO CC/C=C\CC[N@H+]1CCCNCC1 383823520 1169604841 /nfs/dbraw/zinc/60/48/41/1169604841.db2.gz JYYAFRKYUJCUDZ-ARJAWSKDSA-N 1 3 182.311 1.638 10 0 ADAEHO CSCC[C@H](C)[NH2+]C[C@H](C)CN 388513797 1169626331 /nfs/dbraw/zinc/62/63/31/1169626331.db2.gz SUTKSVYEOQSXCI-BDAKNGLRSA-N 1 3 190.356 1.312 10 0 ADAEHO CSCC[C@@H](C)[NH2+]C[C@H](C)CN 388513802 1169626444 /nfs/dbraw/zinc/62/64/44/1169626444.db2.gz SUTKSVYEOQSXCI-RKDXNWHRSA-N 1 3 190.356 1.312 10 0 ADAEHO CSCC[C@@H](C)[NH2+]C[C@@H](C)CN 388513799 1169626712 /nfs/dbraw/zinc/62/67/12/1169626712.db2.gz SUTKSVYEOQSXCI-DTWKUNHWSA-N 1 3 190.356 1.312 10 0 ADAEHO CSCC[C@H](C)[NH2+]C[C@@H](C)CN 388513800 1169627362 /nfs/dbraw/zinc/62/73/62/1169627362.db2.gz SUTKSVYEOQSXCI-IUCAKERBSA-N 1 3 190.356 1.312 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](CCC2CC2)C1 389339924 1169638568 /nfs/dbraw/zinc/63/85/68/1169638568.db2.gz XWCYZXQDUXXIFW-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](CCC2CC2)C1 389339924 1169638572 /nfs/dbraw/zinc/63/85/72/1169638572.db2.gz XWCYZXQDUXXIFW-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@H]1CCCC[N@H+](CCC2CC2)C1 389339923 1169639315 /nfs/dbraw/zinc/63/93/15/1169639315.db2.gz XWCYZXQDUXXIFW-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](CCC2CC2)C1 389339923 1169639318 /nfs/dbraw/zinc/63/93/18/1169639318.db2.gz XWCYZXQDUXXIFW-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCC[C@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 394641013 1169650136 /nfs/dbraw/zinc/65/01/36/1169650136.db2.gz UYSMBAZGGMPIMG-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C 394600680 1169651206 /nfs/dbraw/zinc/65/12/06/1169651206.db2.gz CZARKTNASMLFGC-HBNTYKKESA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@H](N)C[N@H+](C)CCCCOC 397239435 1169661288 /nfs/dbraw/zinc/66/12/88/1169661288.db2.gz ZZIUGTKIUFGBJH-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@H](N)C[N@@H+](C)CCCCOC 397239435 1169661298 /nfs/dbraw/zinc/66/12/98/1169661298.db2.gz ZZIUGTKIUFGBJH-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@H]1CC[C@H](NCCC2CC2)C[NH2+]1 399067481 1169669537 /nfs/dbraw/zinc/66/95/37/1169669537.db2.gz BXQHEVPEGVCCJY-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399066552 1169670602 /nfs/dbraw/zinc/67/06/02/1169670602.db2.gz BSQFKYTVBDLSHC-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO CCCCCN[C@H]1CC[C@H](C)[NH2+]C1 399113972 1169670696 /nfs/dbraw/zinc/67/06/96/1169670696.db2.gz LWXVRXOTTWEJSP-QWRGUYRKSA-N 1 3 184.327 1.907 10 0 ADAEHO CCCCN[C@@H]1CC[C@H](C)[NH2+]C1 399066554 1169670738 /nfs/dbraw/zinc/67/07/38/1169670738.db2.gz BSQFKYTVBDLSHC-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H]1CC[C@H](NCCC2CCC2)C[NH2+]1 399238267 1169671264 /nfs/dbraw/zinc/67/12/64/1169671264.db2.gz SMPAWRZPRKNVTL-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCCN[C@H]1CC[C@@H](C)[NH2+]C1 399066556 1169671333 /nfs/dbraw/zinc/67/13/33/1169671333.db2.gz BSQFKYTVBDLSHC-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CCCCCN[C@H]1CC[C@@H](C)[NH2+]C1 399113962 1169671493 /nfs/dbraw/zinc/67/14/93/1169671493.db2.gz LWXVRXOTTWEJSP-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO C[C@H]1CC[C@@H](NCCC2CC2)C[NH2+]1 399067478 1169671645 /nfs/dbraw/zinc/67/16/45/1169671645.db2.gz BXQHEVPEGVCCJY-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@H](NCCC2CC2)C[NH2+]1 399067479 1169671863 /nfs/dbraw/zinc/67/18/63/1169671863.db2.gz BXQHEVPEGVCCJY-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CCCCCN[C@@H]1CC[C@H](C)[NH2+]C1 399113982 1169672082 /nfs/dbraw/zinc/67/20/82/1169672082.db2.gz LWXVRXOTTWEJSP-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO CCCCN[C@H]1CC[C@H](C)[NH2+]C1 399066553 1169672128 /nfs/dbraw/zinc/67/21/28/1169672128.db2.gz BSQFKYTVBDLSHC-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H](NCCC2CC2)C[NH2+]1 399067480 1169672360 /nfs/dbraw/zinc/67/23/60/1169672360.db2.gz BXQHEVPEGVCCJY-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H](NCCC2CCC2)C[NH2+]1 399238268 1169672464 /nfs/dbraw/zinc/67/24/64/1169672464.db2.gz SMPAWRZPRKNVTL-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC[C@H](NCCC2CCC2)C[NH2+]1 399238266 1169672662 /nfs/dbraw/zinc/67/26/62/1169672662.db2.gz SMPAWRZPRKNVTL-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC[C@@H](NCCC2CCC2)C[NH2+]1 399238265 1169672675 /nfs/dbraw/zinc/67/26/75/1169672675.db2.gz SMPAWRZPRKNVTL-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399113954 1169672720 /nfs/dbraw/zinc/67/27/20/1169672720.db2.gz LWXVRXOTTWEJSP-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO C[C@H](CC1CC1)N1CC[C@@](C)([NH3+])C1 405795453 1169684848 /nfs/dbraw/zinc/68/48/48/1169684848.db2.gz NGGNDPZFHYWKKS-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCC[C@H](C)N1CC[C@@](C)([NH3+])C1 405781125 1169685006 /nfs/dbraw/zinc/68/50/06/1169685006.db2.gz PJTLCGSQUCARTG-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC1CCC(N2CC[C@](C)([NH3+])C2)CC1 405734015 1169685082 /nfs/dbraw/zinc/68/50/82/1169685082.db2.gz MXZVBWKFAURILT-MCIGGMRASA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[C@H](C)N1CC[C@@](C)([NH3+])C1 405791303 1169685179 /nfs/dbraw/zinc/68/51/79/1169685179.db2.gz GMEHYQCPOHVKQS-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CC[C@H](N2CC[C@@](C)([NH3+])C2)C1 405787367 1169685203 /nfs/dbraw/zinc/68/52/03/1169685203.db2.gz JRUXFUHDYWNOJS-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[C@@H](N2CC[C@@](C)([NH3+])C2)C1 405787368 1169685455 /nfs/dbraw/zinc/68/54/55/1169685455.db2.gz JRUXFUHDYWNOJS-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](CC1CC1)N1CC[C@@](C)([NH3+])C1 405795450 1169685666 /nfs/dbraw/zinc/68/56/66/1169685666.db2.gz NGGNDPZFHYWKKS-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCC[C@@H](C)N1CC[C@](C)([NH3+])C1 405781121 1169685718 /nfs/dbraw/zinc/68/57/18/1169685718.db2.gz PJTLCGSQUCARTG-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H](C)N1CC[C@](C)([NH3+])C1 405791305 1169685740 /nfs/dbraw/zinc/68/57/40/1169685740.db2.gz GMEHYQCPOHVKQS-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CC[C@@H](N2CC[C@](C)([NH3+])C2)C1 405787369 1169686424 /nfs/dbraw/zinc/68/64/24/1169686424.db2.gz JRUXFUHDYWNOJS-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CC1CC1)N1CC[C@](C)([NH3+])C1 405795452 1169686557 /nfs/dbraw/zinc/68/65/57/1169686557.db2.gz NGGNDPZFHYWKKS-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@H](C)N1CC[C@](C)([NH3+])C1 405791300 1169686631 /nfs/dbraw/zinc/68/66/31/1169686631.db2.gz GMEHYQCPOHVKQS-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[C@@H](C)N1CC[C@@](C)([NH3+])C1 405781119 1169686660 /nfs/dbraw/zinc/68/66/60/1169686660.db2.gz PJTLCGSQUCARTG-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CC1CC1)N1CC[C@](C)([NH3+])C1 405795454 1169686701 /nfs/dbraw/zinc/68/67/01/1169686701.db2.gz NGGNDPZFHYWKKS-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@@H](C)N1CC[C@@](C)([NH3+])C1 405791297 1169686962 /nfs/dbraw/zinc/68/69/62/1169686962.db2.gz GMEHYQCPOHVKQS-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC1CCC(N2CC[C@@](C)([NH3+])C2)CC1 405734013 1169687047 /nfs/dbraw/zinc/68/70/47/1169687047.db2.gz MXZVBWKFAURILT-HTAVTVPLSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCC[C@H](C)N1CC[C@](C)([NH3+])C1 405781124 1169687182 /nfs/dbraw/zinc/68/71/82/1169687182.db2.gz PJTLCGSQUCARTG-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H]1CC[C@H](N2CC[C@](C)([NH3+])C2)C1 405787370 1169687327 /nfs/dbraw/zinc/68/73/27/1169687327.db2.gz JRUXFUHDYWNOJS-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO C1CCC2(C1)CC[N@H+]2C1CCNCC1 606268372 1169693199 /nfs/dbraw/zinc/69/31/99/1169693199.db2.gz DIPGABDMRFKMDZ-UHFFFAOYSA-N 1 3 194.322 1.757 10 0 ADAEHO C1CCC2(C1)CC[N@@H+]2C1CCNCC1 606268372 1169693204 /nfs/dbraw/zinc/69/32/04/1169693204.db2.gz DIPGABDMRFKMDZ-UHFFFAOYSA-N 1 3 194.322 1.757 10 0 ADAEHO CC(C)(C)C[N@@H+]1CCC[C@H](N)CC1 642827742 1169697091 /nfs/dbraw/zinc/69/70/91/1169697091.db2.gz HRPDNFVHXNSUER-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1C[N@H+](CC(C)(C)C)C[C@H]1CN 642846285 1169697057 /nfs/dbraw/zinc/69/70/57/1169697057.db2.gz XQNQOAPTYMJNTM-VHSXEESVSA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@H]1C[N@@H+](CC(C)(C)C)C[C@H]1CN 642846285 1169697062 /nfs/dbraw/zinc/69/70/62/1169697062.db2.gz XQNQOAPTYMJNTM-VHSXEESVSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)(C)C[N@H+]1CCC[C@H](N)CC1 642827742 1169697096 /nfs/dbraw/zinc/69/70/96/1169697096.db2.gz HRPDNFVHXNSUER-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)C[N@@H+]1CCC[C@@H](N)CC1 642827743 1169697534 /nfs/dbraw/zinc/69/75/34/1169697534.db2.gz HRPDNFVHXNSUER-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)C[N@H+]1CCC[C@@H](N)CC1 642827743 1169697538 /nfs/dbraw/zinc/69/75/38/1169697538.db2.gz HRPDNFVHXNSUER-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC1CC(CN[C@H]2CC[C@@H](C)[NH2+]C2)C1 700793080 1169701372 /nfs/dbraw/zinc/70/13/72/1169701372.db2.gz GIOWHKVGQUAPAN-RSJDFQLWSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1CC(CN[C@@H]2CC[C@H](C)[NH2+]C2)C1 700793078 1169701587 /nfs/dbraw/zinc/70/15/87/1169701587.db2.gz GIOWHKVGQUAPAN-POSLAHMBSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1CC(CN[C@@H]2CC[C@@H](C)[NH2+]C2)C1 700793082 1169702110 /nfs/dbraw/zinc/70/21/10/1169702110.db2.gz GIOWHKVGQUAPAN-RUJICJSRSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1CC(CN[C@H]2CC[C@H](C)[NH2+]C2)C1 700793077 1169702883 /nfs/dbraw/zinc/70/28/83/1169702883.db2.gz GIOWHKVGQUAPAN-ADPBJBESSA-N 1 3 196.338 1.763 10 0 ADAEHO CCOC(C)(C)C[N@H+](C)C[C@H](C)N 702741225 1169703574 /nfs/dbraw/zinc/70/35/74/1169703574.db2.gz CJBHTIGTEUPALH-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO CCOC(C)(C)C[N@@H+](C)C[C@H](C)N 702741225 1169703584 /nfs/dbraw/zinc/70/35/84/1169703584.db2.gz CJBHTIGTEUPALH-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@H](CN)C1 705213898 1169707848 /nfs/dbraw/zinc/70/78/48/1169707848.db2.gz UAWFULZBSZEFMW-IJLUTSLNSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H](CN)C1 705213898 1169707855 /nfs/dbraw/zinc/70/78/55/1169707855.db2.gz UAWFULZBSZEFMW-IJLUTSLNSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H](CN)C1 705213901 1169707939 /nfs/dbraw/zinc/70/79/39/1169707939.db2.gz UAWFULZBSZEFMW-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H](CN)C1 705213901 1169707947 /nfs/dbraw/zinc/70/79/47/1169707947.db2.gz UAWFULZBSZEFMW-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H](CN)C1 705213903 1169708620 /nfs/dbraw/zinc/70/86/20/1169708620.db2.gz UAWFULZBSZEFMW-WOPDTQHZSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H](CN)C1 705213903 1169708624 /nfs/dbraw/zinc/70/86/24/1169708624.db2.gz UAWFULZBSZEFMW-WOPDTQHZSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@H](CN)C1 705213893 1169709005 /nfs/dbraw/zinc/70/90/05/1169709005.db2.gz UAWFULZBSZEFMW-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H](CN)C1 705213893 1169709010 /nfs/dbraw/zinc/70/90/10/1169709010.db2.gz UAWFULZBSZEFMW-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 708876285 1169720199 /nfs/dbraw/zinc/72/01/99/1169720199.db2.gz GQKUFVVOFVJFDJ-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 708876285 1169720204 /nfs/dbraw/zinc/72/02/04/1169720204.db2.gz GQKUFVVOFVJFDJ-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCCC2)C[C@H]1CN 708876289 1169720567 /nfs/dbraw/zinc/72/05/67/1169720567.db2.gz GSKMPTDWQBCVSC-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1C[N@H+](C2CCCC2)C[C@H]1CN 708876289 1169720573 /nfs/dbraw/zinc/72/05/73/1169720573.db2.gz GSKMPTDWQBCVSC-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC(CC)[N@@H+]1C[C@H](C)[C@H](CN)C1 708879051 1169721774 /nfs/dbraw/zinc/72/17/74/1169721774.db2.gz YJBQKVPBUKAOBE-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC(CC)[N@H+]1C[C@H](C)[C@H](CN)C1 708879051 1169721782 /nfs/dbraw/zinc/72/17/82/1169721782.db2.gz YJBQKVPBUKAOBE-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCCCC2)C[C@H]1CN 708885993 1169722361 /nfs/dbraw/zinc/72/23/61/1169722361.db2.gz KDWIMAPKVOEBSM-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[N@H+](C2CCCCC2)C[C@H]1CN 708885993 1169722367 /nfs/dbraw/zinc/72/23/67/1169722367.db2.gz KDWIMAPKVOEBSM-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 708864186 1169723028 /nfs/dbraw/zinc/72/30/28/1169723028.db2.gz XLWHEFVAZRIUIF-KXNHARMFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 708864186 1169723037 /nfs/dbraw/zinc/72/30/37/1169723037.db2.gz XLWHEFVAZRIUIF-KXNHARMFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[N@H+](CCC2CC2)C[C@H]1CN 708877683 1169723156 /nfs/dbraw/zinc/72/31/56/1169723156.db2.gz QYHWOQJCINLJRM-GXSJLCMTSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H]1C[N@@H+](CCC2CC2)C[C@H]1CN 708877683 1169723160 /nfs/dbraw/zinc/72/31/60/1169723160.db2.gz QYHWOQJCINLJRM-GXSJLCMTSA-N 1 3 182.311 1.313 10 0 ADAEHO CCCC[NH2+][C@@H]1CCN[C@@H](C)C1 709373444 1169723813 /nfs/dbraw/zinc/72/38/13/1169723813.db2.gz GXKIPYZNAKUEQS-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1 709373749 1169723946 /nfs/dbraw/zinc/72/39/46/1169723946.db2.gz IKNBJKBDELFAPM-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1 709373740 1169724360 /nfs/dbraw/zinc/72/43/60/1169724360.db2.gz IKNBJKBDELFAPM-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C1CC1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 709313629 1169724403 /nfs/dbraw/zinc/72/44/03/1169724403.db2.gz BOPWKZBLQZOATB-ULKQDVFKSA-N 1 3 166.268 1.021 10 0 ADAEHO CCCC[NH2+][C@@H]1CCN[C@H](C)C1 709373441 1169724591 /nfs/dbraw/zinc/72/45/91/1169724591.db2.gz GXKIPYZNAKUEQS-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1 709373759 1169724740 /nfs/dbraw/zinc/72/47/40/1169724740.db2.gz IKNBJKBDELFAPM-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO CCCC[NH2+][C@H]1CCN[C@H](C)C1 709373446 1169725404 /nfs/dbraw/zinc/72/54/04/1169725404.db2.gz GXKIPYZNAKUEQS-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1 709373745 1169725625 /nfs/dbraw/zinc/72/56/25/1169725625.db2.gz IKNBJKBDELFAPM-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CCCC[NH2+][C@H]1CCN[C@@H](C)C1 709373443 1169725746 /nfs/dbraw/zinc/72/57/46/1169725746.db2.gz GXKIPYZNAKUEQS-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO [NH3+][C@H]1CCN(C2CCC3(CC2)CC3)C1 710000226 1169726339 /nfs/dbraw/zinc/72/63/39/1169726339.db2.gz YRFGDTNSOVDILD-JTQLQIEISA-N 1 3 194.322 1.742 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+](C)CC2CCC2)CCN1 709459831 1169726640 /nfs/dbraw/zinc/72/66/40/1169726640.db2.gz BGVNIRDGZPVAJQ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+](C)CC2CCC2)CCN1 709459831 1169726645 /nfs/dbraw/zinc/72/66/45/1169726645.db2.gz BGVNIRDGZPVAJQ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO [NH3+][C@@H]1CCN(C2CCC3(CC2)CC3)C1 710000230 1169726764 /nfs/dbraw/zinc/72/67/64/1169726764.db2.gz YRFGDTNSOVDILD-SNVBAGLBSA-N 1 3 194.322 1.742 10 0 ADAEHO C[C@H]1C[C@H]([N@H+](C)CC2CCC2)CCN1 709459828 1169726883 /nfs/dbraw/zinc/72/68/83/1169726883.db2.gz BGVNIRDGZPVAJQ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+](C)CC2CCC2)CCN1 709459828 1169726889 /nfs/dbraw/zinc/72/68/89/1169726889.db2.gz BGVNIRDGZPVAJQ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+](C)CC2CCC2)CCN1 709459834 1169727844 /nfs/dbraw/zinc/72/78/44/1169727844.db2.gz BGVNIRDGZPVAJQ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC2)CCN1 709459834 1169727848 /nfs/dbraw/zinc/72/78/48/1169727848.db2.gz BGVNIRDGZPVAJQ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+](C)CC2CCC2)CCN1 709459836 1169728420 /nfs/dbraw/zinc/72/84/20/1169728420.db2.gz BGVNIRDGZPVAJQ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+](C)CC2CCC2)CCN1 709459836 1169728428 /nfs/dbraw/zinc/72/84/28/1169728428.db2.gz BGVNIRDGZPVAJQ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C1CC([NH2+][C@H]2C[C@H]2C2CC2)CCN1 716569937 1169742461 /nfs/dbraw/zinc/74/24/61/1169742461.db2.gz AKTWDNIVLJSGQB-QWRGUYRKSA-N 1 3 180.295 1.127 10 0 ADAEHO C1CC([NH2+][C@@H]2C[C@@H]2C2CC2)CCN1 716569935 1169742895 /nfs/dbraw/zinc/74/28/95/1169742895.db2.gz AKTWDNIVLJSGQB-GHMZBOCLSA-N 1 3 180.295 1.127 10 0 ADAEHO C1CC([NH2+][C@H]2C[C@@H]2C2CC2)CCN1 716569936 1169743776 /nfs/dbraw/zinc/74/37/76/1169743776.db2.gz AKTWDNIVLJSGQB-MNOVXSKESA-N 1 3 180.295 1.127 10 0 ADAEHO C1CC([NH2+][C@@H]2C[C@H]2C2CC2)CCN1 716569938 1169743842 /nfs/dbraw/zinc/74/38/42/1169743842.db2.gz AKTWDNIVLJSGQB-WDEREUQCSA-N 1 3 180.295 1.127 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)CCN1 716636356 1169743898 /nfs/dbraw/zinc/74/38/98/1169743898.db2.gz NEUCCGHHJVHDHF-HJQYOEGKSA-N 1 3 194.322 1.515 10 0 ADAEHO C1CC2(C1)C[C@@H]2NC1CC[NH2+]CC1 721263316 1169760662 /nfs/dbraw/zinc/76/06/62/1169760662.db2.gz QAVWUTMJSDVZIR-JTQLQIEISA-N 1 3 180.295 1.271 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCC3)CCN1 721250496 1169760348 /nfs/dbraw/zinc/76/03/48/1169760348.db2.gz OARZOZTXISVZPC-VWYCJHECSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@H]2CC23CCC3)CC[NH2+]1 721250496 1169760357 /nfs/dbraw/zinc/76/03/57/1169760357.db2.gz OARZOZTXISVZPC-VWYCJHECSA-N 1 3 194.322 1.659 10 0 ADAEHO C1CC2(C1)C[C@@H]2[NH2+]C1CCNCC1 721263316 1169760656 /nfs/dbraw/zinc/76/06/56/1169760656.db2.gz QAVWUTMJSDVZIR-JTQLQIEISA-N 1 3 180.295 1.271 10 0 ADAEHO C1CC2(C1)C[C@H]2[NH2+]C1CCNCC1 721263319 1169761498 /nfs/dbraw/zinc/76/14/98/1169761498.db2.gz QAVWUTMJSDVZIR-SNVBAGLBSA-N 1 3 180.295 1.271 10 0 ADAEHO C1CC2(C1)C[C@H]2NC1CC[NH2+]CC1 721263319 1169761501 /nfs/dbraw/zinc/76/15/01/1169761501.db2.gz QAVWUTMJSDVZIR-SNVBAGLBSA-N 1 3 180.295 1.271 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCC3)CCN1 721250193 1169762375 /nfs/dbraw/zinc/76/23/75/1169762375.db2.gz OARZOZTXISVZPC-GMTAPVOTSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2CC23CCC3)CC[NH2+]1 721250193 1169762382 /nfs/dbraw/zinc/76/23/82/1169762382.db2.gz OARZOZTXISVZPC-GMTAPVOTSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCC3)CCN1 721250495 1169762756 /nfs/dbraw/zinc/76/27/56/1169762756.db2.gz OARZOZTXISVZPC-OUAUKWLOSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@@H]2CC23CCC3)CC[NH2+]1 721250495 1169762764 /nfs/dbraw/zinc/76/27/64/1169762764.db2.gz OARZOZTXISVZPC-OUAUKWLOSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCC3)CCN1 721250194 1169762837 /nfs/dbraw/zinc/76/28/37/1169762837.db2.gz OARZOZTXISVZPC-MXWKQRLJSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2CC23CCC3)CC[NH2+]1 721250194 1169762843 /nfs/dbraw/zinc/76/28/43/1169762843.db2.gz OARZOZTXISVZPC-MXWKQRLJSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](N)CC1 722683901 1169763613 /nfs/dbraw/zinc/76/36/13/1169763613.db2.gz RMWJIKAJEOUVJS-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](N)CC1 722683901 1169763616 /nfs/dbraw/zinc/76/36/16/1169763616.db2.gz RMWJIKAJEOUVJS-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](N)CC1 722683899 1169764493 /nfs/dbraw/zinc/76/44/93/1169764493.db2.gz RMWJIKAJEOUVJS-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](N)CC1 722683899 1169764501 /nfs/dbraw/zinc/76/45/01/1169764501.db2.gz RMWJIKAJEOUVJS-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO Cc1cc(C)nc(NCC[C@@H](C)[NH3+])c1 721819162 1169765278 /nfs/dbraw/zinc/76/52/78/1169765278.db2.gz FRRPUMMHCNAYGT-SECBINFHSA-N 1 3 193.294 1.848 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](N)CC1 722683897 1169765379 /nfs/dbraw/zinc/76/53/79/1169765379.db2.gz RMWJIKAJEOUVJS-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](N)CC1 722683897 1169765387 /nfs/dbraw/zinc/76/53/87/1169765387.db2.gz RMWJIKAJEOUVJS-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](N)CC1 722683896 1169765929 /nfs/dbraw/zinc/76/59/29/1169765929.db2.gz RMWJIKAJEOUVJS-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](N)CC1 722683896 1169765935 /nfs/dbraw/zinc/76/59/35/1169765935.db2.gz RMWJIKAJEOUVJS-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO Cc1cc(C)nc(NC/C=C/C[NH3+])c1 721828760 1169766445 /nfs/dbraw/zinc/76/64/45/1169766445.db2.gz RZTJWZHKNXOBGN-ONEGZZNKSA-N 1 3 191.278 1.625 10 0 ADAEHO CCCC[C@@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 723480016 1169768007 /nfs/dbraw/zinc/76/80/07/1169768007.db2.gz UYSMBAZGGMPIMG-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](CC)C1 157892844 566269478 /nfs/dbraw/zinc/26/94/78/566269478.db2.gz UHTMFXZUMXAMPO-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@H](CC)C1 157892844 566269488 /nfs/dbraw/zinc/26/94/88/566269488.db2.gz UHTMFXZUMXAMPO-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])[C@H](CC)C1 157892844 566269494 /nfs/dbraw/zinc/26/94/94/566269494.db2.gz UHTMFXZUMXAMPO-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCOC2)C1 250669999 566285391 /nfs/dbraw/zinc/28/53/91/566285391.db2.gz UCFHGRQZEDSJTQ-VWYCJHECSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCOC2)C1 250669559 566285606 /nfs/dbraw/zinc/28/56/06/566285606.db2.gz UCFHGRQZEDSJTQ-MXWKQRLJSA-N 1 3 198.310 1.025 10 0 ADAEHO CCN(CC)Cc1cncc(C[NH3+])c1 257816759 566289730 /nfs/dbraw/zinc/28/97/30/566289730.db2.gz DMUDYZHKPONKJE-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO [NH3+]Cc1cncc(CN2CCCC2)c1 257842774 566290104 /nfs/dbraw/zinc/29/01/04/566290104.db2.gz MRTDBMZWGPBHGN-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO [NH3+]CC1CCN(CC2(F)CC2)CC1 307711176 566299158 /nfs/dbraw/zinc/29/91/58/566299158.db2.gz SKHRTPCUKCUARN-UHFFFAOYSA-N 1 3 186.274 1.159 10 0 ADAEHO C[C@@H]1CCC[C@H](C2=C[C@@H]([NH3+])CNC2)C1 675078753 566310751 /nfs/dbraw/zinc/31/07/51/566310751.db2.gz SBGNYVIYKLGFGU-JFGNBEQYSA-N 1 3 194.322 1.670 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1C1=C[C@H]([NH3+])CNC1 675079321 566310780 /nfs/dbraw/zinc/31/07/80/566310780.db2.gz XOOXNVJYXZLMDW-USWWRNFRSA-N 1 3 194.322 1.670 10 0 ADAEHO CC(C)C(C)(C)CC1=C[C@H]([NH3+])CNC1 675078797 566310833 /nfs/dbraw/zinc/31/08/33/566310833.db2.gz SQOGMKFCJCSJDK-NSHDSACASA-N 1 3 196.338 1.916 10 0 ADAEHO CC(C)CCC1=C[C@@H]([NH3+])CNC1 675079090 566311144 /nfs/dbraw/zinc/31/11/44/566311144.db2.gz VWXXGWRRIRFCGO-SNVBAGLBSA-N 1 3 168.284 1.280 10 0 ADAEHO CCCCC1=C[C@H]([NH3+])CNC1 675078802 566311261 /nfs/dbraw/zinc/31/12/61/566311261.db2.gz SUQHRHAELVZBME-VIFPVBQESA-N 1 3 154.257 1.034 10 0 ADAEHO CCCCC1=C[C@@H]([NH3+])CNC1 675078801 566311431 /nfs/dbraw/zinc/31/14/31/566311431.db2.gz SUQHRHAELVZBME-SECBINFHSA-N 1 3 154.257 1.034 10 0 ADAEHO [NH3+][C@H]1C=C(C2CC3(CCC3)C2)CNC1 675078696 566311534 /nfs/dbraw/zinc/31/15/34/566311534.db2.gz RKGMNQCTSOFILF-NSHDSACASA-N 1 3 192.306 1.424 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1C1=C[C@@H]([NH3+])CNC1 675079319 566311582 /nfs/dbraw/zinc/31/15/82/566311582.db2.gz XOOXNVJYXZLMDW-JLLWLGSASA-N 1 3 194.322 1.670 10 0 ADAEHO CCC[C@H](C)C1=C[C@H]([NH3+])CNC1 675079117 566311762 /nfs/dbraw/zinc/31/17/62/566311762.db2.gz WPEVIXDTTAVAES-WPRPVWTQSA-N 1 3 168.284 1.280 10 0 ADAEHO C[C@@H]1CCC[C@@H](C2=C[C@H]([NH3+])CNC2)C1 675078752 566311811 /nfs/dbraw/zinc/31/18/11/566311811.db2.gz SBGNYVIYKLGFGU-FOGDFJRCSA-N 1 3 194.322 1.670 10 0 ADAEHO C[C@@H]1CCCC[C@H]1C1=C[C@@H]([NH3+])CNC1 675079323 566311917 /nfs/dbraw/zinc/31/19/17/566311917.db2.gz XOOXNVJYXZLMDW-YUSALJHKSA-N 1 3 194.322 1.670 10 0 ADAEHO CCC[C@H](C)C1=C[C@@H]([NH3+])CNC1 675079116 566312270 /nfs/dbraw/zinc/31/22/70/566312270.db2.gz WPEVIXDTTAVAES-WCBMZHEXSA-N 1 3 168.284 1.280 10 0 ADAEHO [NH3+][C@H]1C=C(CC2CCCCC2)CNC1 675079096 566312314 /nfs/dbraw/zinc/31/23/14/566312314.db2.gz WARGHBVCQGAEJO-LBPRGKRZSA-N 1 3 194.322 1.814 10 0 ADAEHO CC(C)C(C)(C)CC1=C[C@@H]([NH3+])CNC1 675078796 566312399 /nfs/dbraw/zinc/31/23/99/566312399.db2.gz SQOGMKFCJCSJDK-LLVKDONJSA-N 1 3 196.338 1.916 10 0 ADAEHO C[C@@H]1CCC[C@@H](C2=C[C@@H]([NH3+])CNC2)C1 675078751 566312418 /nfs/dbraw/zinc/31/24/18/566312418.db2.gz SBGNYVIYKLGFGU-CKYFFXLPSA-N 1 3 194.322 1.670 10 0 ADAEHO [NH3+][C@@H]1C=C(C2CC3(CCC3)C2)CNC1 675078695 566312508 /nfs/dbraw/zinc/31/25/08/566312508.db2.gz RKGMNQCTSOFILF-LLVKDONJSA-N 1 3 192.306 1.424 10 0 ADAEHO C[C@@H]1CCCC[C@H]1C1=C[C@H]([NH3+])CNC1 675079317 566313037 /nfs/dbraw/zinc/31/30/37/566313037.db2.gz XOOXNVJYXZLMDW-ADEWGFFLSA-N 1 3 194.322 1.670 10 0 ADAEHO CCC[C@@H](C)C1=C[C@H]([NH3+])CNC1 675079115 566313064 /nfs/dbraw/zinc/31/30/64/566313064.db2.gz WPEVIXDTTAVAES-SCZZXKLOSA-N 1 3 168.284 1.280 10 0 ADAEHO [NH3+][C@@H]1C=C(CC2CCCCC2)CNC1 675079095 566313110 /nfs/dbraw/zinc/31/31/10/566313110.db2.gz WARGHBVCQGAEJO-GFCCVEGCSA-N 1 3 194.322 1.814 10 0 ADAEHO CC(C)CCC1=C[C@H]([NH3+])CNC1 675079089 566313256 /nfs/dbraw/zinc/31/32/56/566313256.db2.gz VWXXGWRRIRFCGO-JTQLQIEISA-N 1 3 168.284 1.280 10 0 ADAEHO CCC[C@@H](C)C1=C[C@@H]([NH3+])CNC1 675079114 566313389 /nfs/dbraw/zinc/31/33/89/566313389.db2.gz WPEVIXDTTAVAES-PSASIEDQSA-N 1 3 168.284 1.280 10 0 ADAEHO C[C@@H]1CCC[C@H](C2=C[C@H]([NH3+])CNC2)C1 675078755 566313459 /nfs/dbraw/zinc/31/34/59/566313459.db2.gz SBGNYVIYKLGFGU-SCVCMEIPSA-N 1 3 194.322 1.670 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 1257438803 1170025670 /nfs/dbraw/zinc/02/56/70/1170025670.db2.gz ANBGTQHAGDPOLX-TUAOUCFPSA-N 1 3 196.338 1.668 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 1257438803 1170025664 /nfs/dbraw/zinc/02/56/64/1170025664.db2.gz ANBGTQHAGDPOLX-TUAOUCFPSA-N 1 3 196.338 1.668 10 0 ADAEHO CC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 1257438804 1170028788 /nfs/dbraw/zinc/02/87/88/1170028788.db2.gz ANBGTQHAGDPOLX-UTUOFQBUSA-N 1 3 196.338 1.668 10 0 ADAEHO CC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 1257438804 1170028796 /nfs/dbraw/zinc/02/87/96/1170028796.db2.gz ANBGTQHAGDPOLX-UTUOFQBUSA-N 1 3 196.338 1.668 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1326038140 1170234172 /nfs/dbraw/zinc/23/41/72/1170234172.db2.gz ZIRWFAWJFMHUMK-ZIQFBCGOSA-N 1 3 194.322 1.228 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1326038139 1170234564 /nfs/dbraw/zinc/23/45/64/1170234564.db2.gz ZIRWFAWJFMHUMK-PREPNJAASA-N 1 3 194.322 1.228 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1326038137 1170234905 /nfs/dbraw/zinc/23/49/05/1170234905.db2.gz ZIRWFAWJFMHUMK-GCHJQGSQSA-N 1 3 194.322 1.228 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1326038138 1170236463 /nfs/dbraw/zinc/23/64/63/1170236463.db2.gz ZIRWFAWJFMHUMK-HHHUOAJASA-N 1 3 194.322 1.228 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 1332875706 1170312459 /nfs/dbraw/zinc/31/24/59/1170312459.db2.gz CQGFXNDAEWTKHO-OUAUKWLOSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC12CCC2 1332875703 1170312635 /nfs/dbraw/zinc/31/26/35/1170312635.db2.gz CQGFXNDAEWTKHO-MXWKQRLJSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 1332876009 1170314536 /nfs/dbraw/zinc/31/45/36/1170314536.db2.gz CQGFXNDAEWTKHO-VWYCJHECSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 1332875684 1170314687 /nfs/dbraw/zinc/31/46/87/1170314687.db2.gz CQGFXNDAEWTKHO-GMTAPVOTSA-N 1 3 194.322 1.659 10 0 ADAEHO CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 1333596276 1170327747 /nfs/dbraw/zinc/32/77/47/1170327747.db2.gz JNBIZMXFASUAGH-VXGBXAGGSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 1333596274 1170327991 /nfs/dbraw/zinc/32/79/91/1170327991.db2.gz JNBIZMXFASUAGH-RYUDHWBXSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 1333596271 1170328768 /nfs/dbraw/zinc/32/87/68/1170328768.db2.gz JNBIZMXFASUAGH-NWDGAFQWSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 1333596261 1170329395 /nfs/dbraw/zinc/32/93/95/1170329395.db2.gz JNBIZMXFASUAGH-NEPJUHHUSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(N[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 1335251763 1170349756 /nfs/dbraw/zinc/34/97/56/1170349756.db2.gz LNDIFQGODBYKOH-BDAKNGLRSA-N 1 3 180.295 1.398 10 0 ADAEHO CC1(N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 1335251766 1170350631 /nfs/dbraw/zinc/35/06/31/1170350631.db2.gz LNDIFQGODBYKOH-RKDXNWHRSA-N 1 3 180.295 1.398 10 0 ADAEHO CC1(N[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 1335251764 1170351265 /nfs/dbraw/zinc/35/12/65/1170351265.db2.gz LNDIFQGODBYKOH-DTWKUNHWSA-N 1 3 180.295 1.398 10 0 ADAEHO CC1(N[C@H]2C[C@H]([NH3+])C23CCC3)CC1 1335251765 1170351425 /nfs/dbraw/zinc/35/14/25/1170351425.db2.gz LNDIFQGODBYKOH-IUCAKERBSA-N 1 3 180.295 1.398 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 1663484040 1170949238 /nfs/dbraw/zinc/94/92/38/1170949238.db2.gz QYWBXSAYXKHEGH-QJPTWQEYSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]21 1663484038 1170951228 /nfs/dbraw/zinc/95/12/28/1170951228.db2.gz QYWBXSAYXKHEGH-GRYCIOLGSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 1663484041 1170951441 /nfs/dbraw/zinc/95/14/41/1170951441.db2.gz QYWBXSAYXKHEGH-SDDRHHMPSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]21 1663484039 1170951708 /nfs/dbraw/zinc/95/17/08/1170951708.db2.gz QYWBXSAYXKHEGH-IJLUTSLNSA-N 1 3 196.338 1.572 10 0 ADAEHO CCCC[NH2+]C[C@@H]1CN2CCC1CC2 1665827528 1170952604 /nfs/dbraw/zinc/95/26/04/1170952604.db2.gz WLTGLTASOLZXPW-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CCCC[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 1665930987 1170952849 /nfs/dbraw/zinc/95/28/49/1170952849.db2.gz BWNQNHRJJFWWDA-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCC[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 1665930986 1170953245 /nfs/dbraw/zinc/95/32/45/1170953245.db2.gz BWNQNHRJJFWWDA-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCC[NH2+]C[C@H]1CN2CCC1CC2 1665827529 1170953794 /nfs/dbraw/zinc/95/37/94/1170953794.db2.gz WLTGLTASOLZXPW-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CCCC[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]21 1665930984 1170954055 /nfs/dbraw/zinc/95/40/55/1170954055.db2.gz BWNQNHRJJFWWDA-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCC[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]21 1665930985 1170954827 /nfs/dbraw/zinc/95/48/27/1170954827.db2.gz BWNQNHRJJFWWDA-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@](C)(CNC)C[N@H+]1CC[C@H](C)C1 51250045 571672777 /nfs/dbraw/zinc/67/27/77/571672777.db2.gz HPWJRLQYOAGHSP-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@H](CC[NH3+])C1CN(C)C1 213859142 571677663 /nfs/dbraw/zinc/67/76/63/571677663.db2.gz WZPQBCRKLMATHY-JTQLQIEISA-N 1 3 170.300 1.169 10 0 ADAEHO CC[C@@H](C(C)C)[N@@H+]1CC[C@H](CNC)C1 53031782 571675899 /nfs/dbraw/zinc/67/58/99/571675899.db2.gz UIXBPVAHVRNJBI-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@](C)(CNC)C[N@@H+]1CC[C@H](C)C1 51250045 571672775 /nfs/dbraw/zinc/67/27/75/571672775.db2.gz HPWJRLQYOAGHSP-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CCN1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 8226853 571673378 /nfs/dbraw/zinc/67/33/78/571673378.db2.gz FCLWWEJGYXKYBU-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CN1CCC[C@H]([C@]2([NH3+])C[C@@H]2C2CC2)C1 213809800 571673716 /nfs/dbraw/zinc/67/37/16/571673716.db2.gz LOTXQVBFGFFDCM-QJPTWQEYSA-N 1 3 194.322 1.456 10 0 ADAEHO FCCCC[NH2+]C1CCNCC1 393375271 571674200 /nfs/dbraw/zinc/67/42/00/571674200.db2.gz SYJOQFXROLUIPP-UHFFFAOYSA-N 1 3 174.263 1.078 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CC[C@H](CNC)C1 53011682 571677673 /nfs/dbraw/zinc/67/76/73/571677673.db2.gz GDOTUASFLDPYAB-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C(C)C)[N@H+]1CC[C@H](CNC)C1 53031782 571675903 /nfs/dbraw/zinc/67/59/03/571675903.db2.gz UIXBPVAHVRNJBI-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[C@@H](C)[N@@H+]1CC[C@H](CNC)C1 53031667 571675966 /nfs/dbraw/zinc/67/59/66/571675966.db2.gz PLNSHEABCRFVPK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@H](CNC)C1 53031667 571675970 /nfs/dbraw/zinc/67/59/70/571675970.db2.gz PLNSHEABCRFVPK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[C@H]1N1CC[C@H](C[NH2+]C2CC2)C1 53035232 571676008 /nfs/dbraw/zinc/67/60/08/571676008.db2.gz VYWQXJDSMRUZDN-CKYFFXLPSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@H]1[N@@H+]1CC[C@H](CNC2CC2)C1 53035232 571676012 /nfs/dbraw/zinc/67/60/12/571676012.db2.gz VYWQXJDSMRUZDN-CKYFFXLPSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@H]1[N@H+]1CC[C@H](CNC2CC2)C1 53035232 571676015 /nfs/dbraw/zinc/67/60/15/571676015.db2.gz VYWQXJDSMRUZDN-CKYFFXLPSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@](C)([NH3+])C1CC1 52294636 571676034 /nfs/dbraw/zinc/67/60/34/571676034.db2.gz TZDWFMAEDPJYJG-JEZHCXPESA-N 1 3 168.284 1.112 10 0 ADAEHO CN(C)/C=C/C=C/[NH+](C)C 21953505 571676210 /nfs/dbraw/zinc/67/62/10/571676210.db2.gz AFUCOHLTTBDGJC-KQQUZDAGSA-N 1 3 140.230 1.137 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@]2(CCCNC2)C1 335007791 571676867 /nfs/dbraw/zinc/67/68/67/571676867.db2.gz JWBJJKVRKWPLLX-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@]2(CCCNC2)C1 335007791 571676871 /nfs/dbraw/zinc/67/68/71/571676871.db2.gz JWBJJKVRKWPLLX-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@]2(CCCNC2)C1 335007794 571676940 /nfs/dbraw/zinc/67/69/40/571676940.db2.gz JWBJJKVRKWPLLX-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@]2(CCCNC2)C1 335007794 571676942 /nfs/dbraw/zinc/67/69/42/571676942.db2.gz JWBJJKVRKWPLLX-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@@H]1N1CC[C@H](C[NH2+]C2CC2)C1 53035227 571677028 /nfs/dbraw/zinc/67/70/28/571677028.db2.gz VYWQXJDSMRUZDN-FOGDFJRCSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](CNC2CC2)C1 53035227 571677031 /nfs/dbraw/zinc/67/70/31/571677031.db2.gz VYWQXJDSMRUZDN-FOGDFJRCSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@H+]1CC[C@H](CNC2CC2)C1 53035227 571677033 /nfs/dbraw/zinc/67/70/33/571677033.db2.gz VYWQXJDSMRUZDN-FOGDFJRCSA-N 1 3 194.322 1.469 10 0 ADAEHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](CNC)C1 53031669 571677091 /nfs/dbraw/zinc/67/70/91/571677091.db2.gz PLNSHEABCRFVPK-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](CNC)C1 53031669 571677096 /nfs/dbraw/zinc/67/70/96/571677096.db2.gz PLNSHEABCRFVPK-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H](CN)[C@@H]1CCC[N@@H+]1C 213857054 571677142 /nfs/dbraw/zinc/67/71/42/571677142.db2.gz LSNRGZOWIYBOGZ-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H](CN)[C@@H]1CCC[N@H+]1C 213857054 571677145 /nfs/dbraw/zinc/67/71/45/571677145.db2.gz LSNRGZOWIYBOGZ-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@@H]1CCCCN1C 213856381 571677192 /nfs/dbraw/zinc/67/71/92/571677192.db2.gz BLFWMZSHUVORMP-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H]1CCCN1C 213856818 571677456 /nfs/dbraw/zinc/67/74/56/571677456.db2.gz RBIHUQXJZQGMNZ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CNC)[C@@H]1CCC[N@@H+]1C 213856818 571677458 /nfs/dbraw/zinc/67/74/58/571677458.db2.gz RBIHUQXJZQGMNZ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CNC)[C@@H]1CCC[N@H+]1C 213856818 571677462 /nfs/dbraw/zinc/67/74/62/571677462.db2.gz RBIHUQXJZQGMNZ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CC[C@H](CNC)C1 53011682 571677670 /nfs/dbraw/zinc/67/76/70/571677670.db2.gz GDOTUASFLDPYAB-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@](C)([NH3+])C1CC1 52294642 571677719 /nfs/dbraw/zinc/67/77/19/571677719.db2.gz TZDWFMAEDPJYJG-QNSHHTMESA-N 1 3 168.284 1.112 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H]1CCCN1C 213856865 571677721 /nfs/dbraw/zinc/67/77/21/571677721.db2.gz RBIHUQXJZQGMNZ-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](CNC)[C@@H]1CCC[N@@H+]1C 213856865 571677722 /nfs/dbraw/zinc/67/77/22/571677722.db2.gz RBIHUQXJZQGMNZ-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](CNC)[C@@H]1CCC[N@H+]1C 213856865 571677725 /nfs/dbraw/zinc/67/77/25/571677725.db2.gz RBIHUQXJZQGMNZ-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@@]2(CCCNC2)C1 335007795 571677753 /nfs/dbraw/zinc/67/77/53/571677753.db2.gz JWBJJKVRKWPLLX-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@@]2(CCCNC2)C1 335007795 571677756 /nfs/dbraw/zinc/67/77/56/571677756.db2.gz JWBJJKVRKWPLLX-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](CN)[C@@H]1CCCC[N@@H+]1C 213854963 571677833 /nfs/dbraw/zinc/67/78/33/571677833.db2.gz HUJJRZQFKWHIKA-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CN)[C@@H]1CCCC[N@H+]1C 213854963 571677835 /nfs/dbraw/zinc/67/78/35/571677835.db2.gz HUJJRZQFKWHIKA-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H]1CCCCN1C 213854963 571677837 /nfs/dbraw/zinc/67/78/37/571677837.db2.gz HUJJRZQFKWHIKA-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CN)[C@H]1CCCC[N@@H+]1C 213855740 571677846 /nfs/dbraw/zinc/67/78/46/571677846.db2.gz HUJJRZQFKWHIKA-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CN)[C@H]1CCCC[N@H+]1C 213855740 571677849 /nfs/dbraw/zinc/67/78/49/571677849.db2.gz HUJJRZQFKWHIKA-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C[NH3+])[C@H]1CCCCN1C 213855740 571677851 /nfs/dbraw/zinc/67/78/51/571677851.db2.gz HUJJRZQFKWHIKA-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@]2(CCCNC2)C1 335007792 571677960 /nfs/dbraw/zinc/67/79/60/571677960.db2.gz JWBJJKVRKWPLLX-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@]2(CCCNC2)C1 335007792 571677966 /nfs/dbraw/zinc/67/79/66/571677966.db2.gz JWBJJKVRKWPLLX-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[C@H](CN)[C@@H]1CCC[N@@H+]1C 213857109 571678004 /nfs/dbraw/zinc/67/80/04/571678004.db2.gz LSNRGZOWIYBOGZ-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H](CN)[C@@H]1CCC[N@H+]1C 213857109 571678011 /nfs/dbraw/zinc/67/80/11/571678011.db2.gz LSNRGZOWIYBOGZ-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)C1CN(C)C1 213859225 571678132 /nfs/dbraw/zinc/67/81/32/571678132.db2.gz HHCHMUYNULTGTA-SNVBAGLBSA-N 1 3 170.300 1.040 10 0 ADAEHO CC[C@@H](CN)[C@@H]1CCCC[N@@H+]1C 213854906 571678222 /nfs/dbraw/zinc/67/82/22/571678222.db2.gz HUJJRZQFKWHIKA-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)[C@@H]1CCCC[N@H+]1C 213854906 571678224 /nfs/dbraw/zinc/67/82/24/571678224.db2.gz HUJJRZQFKWHIKA-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H]1CCCCN1C 213854906 571678225 /nfs/dbraw/zinc/67/82/25/571678225.db2.gz HUJJRZQFKWHIKA-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)[C@H]1CCCC[N@@H+]1C 213855689 571678251 /nfs/dbraw/zinc/67/82/51/571678251.db2.gz HUJJRZQFKWHIKA-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)[C@H]1CCCC[N@H+]1C 213855689 571678252 /nfs/dbraw/zinc/67/82/52/571678252.db2.gz HUJJRZQFKWHIKA-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H]1CCCCN1C 213855689 571678254 /nfs/dbraw/zinc/67/82/54/571678254.db2.gz HUJJRZQFKWHIKA-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)C1CN(C)C1 213859281 571678267 /nfs/dbraw/zinc/67/82/67/571678267.db2.gz HHCHMUYNULTGTA-JTQLQIEISA-N 1 3 170.300 1.040 10 0 ADAEHO C[NH2+]C[C@H](C)[C@@H]1CCCCN1C 213856325 571678301 /nfs/dbraw/zinc/67/83/01/571678301.db2.gz BLFWMZSHUVORMP-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H]1CCCN1C 213856919 571678307 /nfs/dbraw/zinc/67/83/07/571678307.db2.gz RBIHUQXJZQGMNZ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CNC)[C@H]1CCC[N@@H+]1C 213856919 571678309 /nfs/dbraw/zinc/67/83/09/571678309.db2.gz RBIHUQXJZQGMNZ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CNC)[C@H]1CCC[N@H+]1C 213856919 571678310 /nfs/dbraw/zinc/67/83/10/571678310.db2.gz RBIHUQXJZQGMNZ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H]1CCCN1C 213856975 571678387 /nfs/dbraw/zinc/67/83/87/571678387.db2.gz RBIHUQXJZQGMNZ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](CNC)[C@H]1CCC[N@@H+]1C 213856975 571678389 /nfs/dbraw/zinc/67/83/89/571678389.db2.gz RBIHUQXJZQGMNZ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](CNC)[C@H]1CCC[N@H+]1C 213856975 571678392 /nfs/dbraw/zinc/67/83/92/571678392.db2.gz RBIHUQXJZQGMNZ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 53031016 571678401 /nfs/dbraw/zinc/67/84/01/571678401.db2.gz URHSHHILMXUPLG-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 53031016 571678403 /nfs/dbraw/zinc/67/84/03/571678403.db2.gz URHSHHILMXUPLG-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H]1CCCCN1C 213856493 571678405 /nfs/dbraw/zinc/67/84/05/571678405.db2.gz BLFWMZSHUVORMP-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@@H](CN)[C@H]1CCC[N@@H+]1C 213857167 571678418 /nfs/dbraw/zinc/67/84/18/571678418.db2.gz LSNRGZOWIYBOGZ-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H](CN)[C@H]1CCC[N@H+]1C 213857167 571678421 /nfs/dbraw/zinc/67/84/21/571678421.db2.gz LSNRGZOWIYBOGZ-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C(C)C)[N@@H+]1CC[C@H](CNC)C1 53031783 571678694 /nfs/dbraw/zinc/67/86/94/571678694.db2.gz UIXBPVAHVRNJBI-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C(C)C)[N@H+]1CC[C@H](CNC)C1 53031783 571678695 /nfs/dbraw/zinc/67/86/95/571678695.db2.gz UIXBPVAHVRNJBI-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@H](CN)[C@H]1CCC[N@@H+]1C 213857225 571678779 /nfs/dbraw/zinc/67/87/79/571678779.db2.gz LSNRGZOWIYBOGZ-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H](CN)[C@H]1CCC[N@H+]1C 213857225 571678781 /nfs/dbraw/zinc/67/87/81/571678781.db2.gz LSNRGZOWIYBOGZ-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CN(C)CCOCCCCCC[NH3+] 70596688 571678880 /nfs/dbraw/zinc/67/88/80/571678880.db2.gz PPGPTMQOZQRQFO-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCCN(C)CC[C@H](C)[NH3+] 37098254 571679001 /nfs/dbraw/zinc/67/90/01/571679001.db2.gz CYLYNKUOBBUFFQ-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CNC[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 52420525 571681348 /nfs/dbraw/zinc/68/13/48/571681348.db2.gz PGVNLBLBPLQPAV-SRVKXCTJSA-N 1 3 198.354 1.820 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H]1CCCCN1C 213856432 571679260 /nfs/dbraw/zinc/67/92/60/571679260.db2.gz BLFWMZSHUVORMP-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN1CCC[C@H](C)C1 52381163 571679517 /nfs/dbraw/zinc/67/95/17/571679517.db2.gz ANDHYXFCFJGRMI-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CCCC[C@H]1C 52378719 571679649 /nfs/dbraw/zinc/67/96/49/571679649.db2.gz QHDZJLREYXTQDE-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CCCC[C@H]1C 52378719 571679651 /nfs/dbraw/zinc/67/96/51/571679651.db2.gz QHDZJLREYXTQDE-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)CC[C@@H](C)[NH3+] 37098253 571679742 /nfs/dbraw/zinc/67/97/42/571679742.db2.gz CYLYNKUOBBUFFQ-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[NH2+]C[C@@H](C)CN1CC[C@H](C)C1 52484336 571679923 /nfs/dbraw/zinc/67/99/23/571679923.db2.gz ZUGHHRQIPUCYNY-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](CNC1CC1)[N@@H+]1CC[C@H](C)C1 52484326 571680151 /nfs/dbraw/zinc/68/01/51/571680151.db2.gz AVMRWMRGCHKYQW-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](CNC1CC1)[N@H+]1CC[C@H](C)C1 52484326 571680154 /nfs/dbraw/zinc/68/01/54/571680154.db2.gz AVMRWMRGCHKYQW-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H](C)CCNC2CC2)C1 52484745 571680189 /nfs/dbraw/zinc/68/01/89/571680189.db2.gz KNAHHOIOWUCCMX-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H](C)CCNC2CC2)C1 52484745 571680190 /nfs/dbraw/zinc/68/01/90/571680190.db2.gz KNAHHOIOWUCCMX-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCN([C@@H](C)CC[NH2+]C2CC2)C1 52484745 571680193 /nfs/dbraw/zinc/68/01/93/571680193.db2.gz KNAHHOIOWUCCMX-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 52420635 571680277 /nfs/dbraw/zinc/68/02/77/571680277.db2.gz YCDPATNCHAVFNH-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@H](C)C1 52381161 571680300 /nfs/dbraw/zinc/68/03/00/571680300.db2.gz XVIBMDSPRZQAAH-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@H](C)C1 52381161 571680302 /nfs/dbraw/zinc/68/03/02/571680302.db2.gz XVIBMDSPRZQAAH-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCC[C@H](C)C1 52381161 571680304 /nfs/dbraw/zinc/68/03/04/571680304.db2.gz XVIBMDSPRZQAAH-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNCC[C@H](C)[N@@H+]1CC[C@H](C)C1 52484734 571680567 /nfs/dbraw/zinc/68/05/67/571680567.db2.gz WFLFXEKTMSYZRV-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNCC[C@H](C)[N@H+]1CC[C@H](C)C1 52484734 571680571 /nfs/dbraw/zinc/68/05/71/571680571.db2.gz WFLFXEKTMSYZRV-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]CC[C@H](C)N1CC[C@H](C)C1 52484734 571680576 /nfs/dbraw/zinc/68/05/76/571680576.db2.gz WFLFXEKTMSYZRV-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@H]1C 52375624 571680678 /nfs/dbraw/zinc/68/06/78/571680678.db2.gz GUQFEOTVLFTJOV-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@H]1C 52375624 571680679 /nfs/dbraw/zinc/68/06/79/571680679.db2.gz GUQFEOTVLFTJOV-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)[C@H](C)C(C)C 52478375 571680709 /nfs/dbraw/zinc/68/07/09/571680709.db2.gz CBNVYZUWRVDOBH-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)[C@H](C)C(C)C 52478375 571680710 /nfs/dbraw/zinc/68/07/10/571680710.db2.gz CBNVYZUWRVDOBH-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CCC[C@H]1C 52375773 571680806 /nfs/dbraw/zinc/68/08/06/571680806.db2.gz CRNOCDWFZXDBBK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CCC[C@H]1C 52375773 571680808 /nfs/dbraw/zinc/68/08/08/571680808.db2.gz CRNOCDWFZXDBBK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1C 52373236 571680919 /nfs/dbraw/zinc/68/09/19/571680919.db2.gz KJJFTFOKKQZXAK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C 52373236 571680924 /nfs/dbraw/zinc/68/09/24/571680924.db2.gz KJJFTFOKKQZXAK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CC[C@H](C)C1 52484421 571680948 /nfs/dbraw/zinc/68/09/48/571680948.db2.gz RNDOWENPQYEGAE-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CC[C@H](C)C1 52484421 571680954 /nfs/dbraw/zinc/68/09/54/571680954.db2.gz RNDOWENPQYEGAE-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](CNC)[N@@H+]1CC[C@H](C)C1 52484319 571681010 /nfs/dbraw/zinc/68/10/10/571681010.db2.gz HPFUHCISQIQWDN-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](CNC)[N@H+]1CC[C@H](C)C1 52484319 571681012 /nfs/dbraw/zinc/68/10/12/571681012.db2.gz HPFUHCISQIQWDN-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@H](C)CN1CC[C@H](C)C1 52484335 571681399 /nfs/dbraw/zinc/68/13/99/571681399.db2.gz PANJWSUWRUGXEI-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNC[C@H](C)C[N@@H+]1CC[C@H](C)C1 52484335 571681402 /nfs/dbraw/zinc/68/14/02/571681402.db2.gz PANJWSUWRUGXEI-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNC[C@H](C)C[N@H+]1CC[C@H](C)C1 52484335 571681404 /nfs/dbraw/zinc/68/14/04/571681404.db2.gz PANJWSUWRUGXEI-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNC[C@H](C)C[N@H+](C)[C@H](C)CC 52444002 571681608 /nfs/dbraw/zinc/68/16/08/571681608.db2.gz OBNBRXBPPUOLKU-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCNC[C@H](C)C[N@@H+](C)[C@H](C)CC 52444002 571681611 /nfs/dbraw/zinc/68/16/11/571681611.db2.gz OBNBRXBPPUOLKU-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)CN(C)[C@H](C)CC 52444002 571681614 /nfs/dbraw/zinc/68/16/14/571681614.db2.gz OBNBRXBPPUOLKU-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)CN1CCC[C@H](C)C1 52381165 571681846 /nfs/dbraw/zinc/68/18/46/571681846.db2.gz ANDHYXFCFJGRMI-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1C 52373237 571681969 /nfs/dbraw/zinc/68/19/69/571681969.db2.gz KJJFTFOKKQZXAK-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C 52373237 571681972 /nfs/dbraw/zinc/68/19/72/571681972.db2.gz KJJFTFOKKQZXAK-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN1CC[C@H](C)C1 52484334 571682431 /nfs/dbraw/zinc/68/24/31/571682431.db2.gz PANJWSUWRUGXEI-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+]1CC[C@H](C)C1 52484334 571682433 /nfs/dbraw/zinc/68/24/33/571682433.db2.gz PANJWSUWRUGXEI-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNC[C@@H](C)C[N@H+]1CC[C@H](C)C1 52484334 571682436 /nfs/dbraw/zinc/68/24/36/571682436.db2.gz PANJWSUWRUGXEI-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNC[C@H](C)[N@@H+]1CCC[C@H]1CC 52374841 571682460 /nfs/dbraw/zinc/68/24/60/571682460.db2.gz GAAWHTDTYDOPQT-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@H](C)[N@H+]1CCC[C@H]1CC 52374841 571682464 /nfs/dbraw/zinc/68/24/64/571682464.db2.gz GAAWHTDTYDOPQT-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)CN1CCC[C@H]1C 52375637 571683827 /nfs/dbraw/zinc/68/38/27/571683827.db2.gz BABRELKTURHDTO-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)[C@H](C)C(C)C 52478455 571682951 /nfs/dbraw/zinc/68/29/51/571682951.db2.gz MNEUQQJGNPQREH-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)[C@H](C)C(C)C 52478455 571682954 /nfs/dbraw/zinc/68/29/54/571682954.db2.gz MNEUQQJGNPQREH-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C 52509832 571683195 /nfs/dbraw/zinc/68/31/95/571683195.db2.gz RKXWWWNQNUAZGV-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C 52509832 571683198 /nfs/dbraw/zinc/68/31/98/571683198.db2.gz RKXWWWNQNUAZGV-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CC[C@@H](C)C[C@H]1C 52509832 571683201 /nfs/dbraw/zinc/68/32/01/571683201.db2.gz RKXWWWNQNUAZGV-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[NH2+]C[C@H](C)CN1CC[C@H](C)C1 52484337 571683222 /nfs/dbraw/zinc/68/32/22/571683222.db2.gz ZUGHHRQIPUCYNY-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CC[C@H](C)C[C@H]1C 52509834 571683277 /nfs/dbraw/zinc/68/32/77/571683277.db2.gz RKXWWWNQNUAZGV-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CC[C@H](C)C[C@H]1C 52509834 571683281 /nfs/dbraw/zinc/68/32/81/571683281.db2.gz RKXWWWNQNUAZGV-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CC[C@H](C)C[C@H]1C 52509834 571683282 /nfs/dbraw/zinc/68/32/82/571683282.db2.gz RKXWWWNQNUAZGV-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](CNC)[N@@H+]1CC[C@H](C)C1 52484318 571683574 /nfs/dbraw/zinc/68/35/74/571683574.db2.gz HPFUHCISQIQWDN-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CNC)[N@H+]1CC[C@H](C)C1 52484318 571683580 /nfs/dbraw/zinc/68/35/80/571683580.db2.gz HPFUHCISQIQWDN-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCNCC[C@@H](C)[N@@H+]1CC[C@H](C)C1 52484732 571683690 /nfs/dbraw/zinc/68/36/90/571683690.db2.gz WFLFXEKTMSYZRV-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNCC[C@@H](C)[N@H+]1CC[C@H](C)C1 52484732 571683692 /nfs/dbraw/zinc/68/36/92/571683692.db2.gz WFLFXEKTMSYZRV-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]CC[C@@H](C)N1CC[C@H](C)C1 52484732 571683694 /nfs/dbraw/zinc/68/36/94/571683694.db2.gz WFLFXEKTMSYZRV-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H](CNC1CC1)C[N@@H+]1CCC[C@H]1C 52375637 571683822 /nfs/dbraw/zinc/68/38/22/571683822.db2.gz BABRELKTURHDTO-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](CNC1CC1)C[N@H+]1CCC[C@H]1C 52375637 571683824 /nfs/dbraw/zinc/68/38/24/571683824.db2.gz BABRELKTURHDTO-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CCC[C@H](C)C1 52381292 571683881 /nfs/dbraw/zinc/68/38/81/571683881.db2.gz MANKMGAAGYMOOC-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CCC[C@H](C)C1 52381292 571683882 /nfs/dbraw/zinc/68/38/82/571683882.db2.gz MANKMGAAGYMOOC-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCCC[C@H]1C 52378581 571683889 /nfs/dbraw/zinc/68/38/89/571683889.db2.gz NUCPRCYKUMWTSF-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCCC[C@H]1C 52378581 571683892 /nfs/dbraw/zinc/68/38/92/571683892.db2.gz NUCPRCYKUMWTSF-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCCC[C@H]1C 52378581 571683894 /nfs/dbraw/zinc/68/38/94/571683894.db2.gz NUCPRCYKUMWTSF-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[NH2+]C[C@H](C)CN1CC[C@H](C)C1 52484339 571683935 /nfs/dbraw/zinc/68/39/35/571683935.db2.gz NSDDGMCGDMMDDM-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](CNC1CC1)[N@@H+]1CC[C@H](C)C1 52484327 571683952 /nfs/dbraw/zinc/68/39/52/571683952.db2.gz AVMRWMRGCHKYQW-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](CNC1CC1)[N@H+]1CC[C@H](C)C1 52484327 571683953 /nfs/dbraw/zinc/68/39/53/571683953.db2.gz AVMRWMRGCHKYQW-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C 53865176 571684966 /nfs/dbraw/zinc/68/49/66/571684966.db2.gz BEMVKQZBMOIGNJ-WOPDTQHZSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](CN(C)C)C1 53864554 571685032 /nfs/dbraw/zinc/68/50/32/571685032.db2.gz AXILMIHNYRNKHY-WOPDTQHZSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](CN(C)C)C1 53864557 571685887 /nfs/dbraw/zinc/68/58/87/571685887.db2.gz AXILMIHNYRNKHY-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CC[C@H]1CNCC[C@@H]1[NH3+] 213981669 571688702 /nfs/dbraw/zinc/68/87/02/571688702.db2.gz GVUNYDKGIZKXQO-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@H]1C[NH2+]CC[C@@H]1N 213981669 571688704 /nfs/dbraw/zinc/68/87/04/571688704.db2.gz GVUNYDKGIZKXQO-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@@H]1CNCC[C@@H]1[NH3+] 213981618 571689029 /nfs/dbraw/zinc/68/90/29/571689029.db2.gz GVUNYDKGIZKXQO-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@@H]1C[NH2+]CC[C@@H]1N 213981618 571689034 /nfs/dbraw/zinc/68/90/34/571689034.db2.gz GVUNYDKGIZKXQO-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@@H]1CNCC[C@H]1[NH3+] 213981721 571689261 /nfs/dbraw/zinc/68/92/61/571689261.db2.gz GVUNYDKGIZKXQO-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@@H]1C[NH2+]CC[C@H]1N 213981721 571689262 /nfs/dbraw/zinc/68/92/62/571689262.db2.gz GVUNYDKGIZKXQO-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H]1CC1CCCC1 712084051 571689607 /nfs/dbraw/zinc/68/96/07/571689607.db2.gz JHPPSVMUTZMDJG-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CCN[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70557941 571689732 /nfs/dbraw/zinc/68/97/32/571689732.db2.gz GMIIZZULJONUFS-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)C1 70557941 571689728 /nfs/dbraw/zinc/68/97/28/571689728.db2.gz GMIIZZULJONUFS-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)CC[C@H]1CNCC[C@H]1[NH3+] 213981783 571690124 /nfs/dbraw/zinc/69/01/24/571690124.db2.gz GVUNYDKGIZKXQO-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@H]1C[NH2+]CC[C@H]1N 213981783 571690127 /nfs/dbraw/zinc/69/01/27/571690127.db2.gz GVUNYDKGIZKXQO-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)CC[C@H]1CCNC[C@H]1[NH3+] 213981542 571690630 /nfs/dbraw/zinc/69/06/30/571690630.db2.gz DRARLLXHUGPFNU-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO C[NH2+]C[C@H](C)NC[C@@H]1CC1(C)C 234402443 571690748 /nfs/dbraw/zinc/69/07/48/571690748.db2.gz MQEFGOOOLGBWGE-IUCAKERBSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)C[C@H]1CC[NH2+]CC[C@H]1N 213979279 571690951 /nfs/dbraw/zinc/69/09/51/571690951.db2.gz ABJKASXUHIWWES-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H]1CCNCC[C@H]1[NH3+] 213979279 571690956 /nfs/dbraw/zinc/69/09/56/571690956.db2.gz ABJKASXUHIWWES-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)NC[C@]1(CC2CC2)CC[NH2+]C1 213977308 571690974 /nfs/dbraw/zinc/69/09/74/571690974.db2.gz YYCIUMCLFBYESM-LBPRGKRZSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@@H]1C[C@@]1([NH3+])[C@@H]1CCCN(C)C1 213976360 571691080 /nfs/dbraw/zinc/69/10/80/571691080.db2.gz HFBJFZKHJCRBRS-GRYCIOLGSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)C[C@H]1C[N@H+](C)C[C@@H]1CN 213980373 571691217 /nfs/dbraw/zinc/69/12/17/571691217.db2.gz NJMAASSLFLSRKI-UWVGGRQHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@H]1C[N@@H+](C)C[C@@H]1CN 213980373 571691220 /nfs/dbraw/zinc/69/12/20/571691220.db2.gz NJMAASSLFLSRKI-UWVGGRQHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@H]1CN(C)C[C@@H]1C[NH3+] 213980373 571691222 /nfs/dbraw/zinc/69/12/22/571691222.db2.gz NJMAASSLFLSRKI-UWVGGRQHSA-N 1 3 170.300 1.169 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H]1CC1CCCC1 712084052 571691459 /nfs/dbraw/zinc/69/14/59/571691459.db2.gz JHPPSVMUTZMDJG-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1C[C@]1([NH3+])C[C@@H]1CCCCN1C 213975203 571691850 /nfs/dbraw/zinc/69/18/50/571691850.db2.gz WPJCUZFGRBWCMX-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[C@@H]1CCN(C)CC[C@@H]1[NH3+] 213978693 571691872 /nfs/dbraw/zinc/69/18/72/571691872.db2.gz BGTQKXKHUOLZLY-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)(C)[C@@H]1CC[NH2+]CC[C@H]1N 213978958 571692342 /nfs/dbraw/zinc/69/23/42/571692342.db2.gz YIAAHIDKDOUCDM-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@@H]1CCNCC[C@H]1[NH3+] 213978958 571692343 /nfs/dbraw/zinc/69/23/43/571692343.db2.gz YIAAHIDKDOUCDM-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H]1CC[NH2+]CC[C@@H]1N 213979152 571692408 /nfs/dbraw/zinc/69/24/08/571692408.db2.gz ABJKASXUHIWWES-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H]1CCNCC[C@@H]1[NH3+] 213979152 571692412 /nfs/dbraw/zinc/69/24/12/571692412.db2.gz ABJKASXUHIWWES-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@@H]1CC[NH2+]C[C@@H]1CN 213979525 571692444 /nfs/dbraw/zinc/69/24/44/571692444.db2.gz SSRMFQLQAUBZEV-DTWKUNHWSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)(C)[C@@H]1CCNC[C@@H]1C[NH3+] 213979525 571692447 /nfs/dbraw/zinc/69/24/47/571692447.db2.gz SSRMFQLQAUBZEV-DTWKUNHWSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)(C)[C@H]1CC[NH2+]CC[C@H]1N 213979018 571692463 /nfs/dbraw/zinc/69/24/63/571692463.db2.gz YIAAHIDKDOUCDM-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@H]1CCNCC[C@H]1[NH3+] 213979018 571692467 /nfs/dbraw/zinc/69/24/67/571692467.db2.gz YIAAHIDKDOUCDM-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@H]1CC[NH2+]C[C@H]1CN 213979702 571692534 /nfs/dbraw/zinc/69/25/34/571692534.db2.gz SSRMFQLQAUBZEV-BDAKNGLRSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)(C)[C@H]1CCNC[C@H]1C[NH3+] 213979702 571692536 /nfs/dbraw/zinc/69/25/36/571692536.db2.gz SSRMFQLQAUBZEV-BDAKNGLRSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)[C@@H]1C[C@]1([NH3+])[C@@H]1CCCN(C)C1 213976234 571692876 /nfs/dbraw/zinc/69/28/76/571692876.db2.gz HFBJFZKHJCRBRS-WOPDTQHZSA-N 1 3 196.338 1.702 10 0 ADAEHO C[NH2+]C[C@H](C)NC[C@H]1CC1(C)C 234402633 571692929 /nfs/dbraw/zinc/69/29/29/571692929.db2.gz MQEFGOOOLGBWGE-DTWKUNHWSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)(C)[C@H]1CC[NH2+]C[C@@H]1CN 213979582 571692948 /nfs/dbraw/zinc/69/29/48/571692948.db2.gz SSRMFQLQAUBZEV-IUCAKERBSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)(C)[C@H]1CCNC[C@@H]1C[NH3+] 213979582 571692951 /nfs/dbraw/zinc/69/29/51/571692951.db2.gz SSRMFQLQAUBZEV-IUCAKERBSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)(C)[C@H]1CC[NH2+]CC[C@@H]1N 213978904 571692999 /nfs/dbraw/zinc/69/29/99/571692999.db2.gz YIAAHIDKDOUCDM-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@H]1CCNCC[C@@H]1[NH3+] 213978904 571693002 /nfs/dbraw/zinc/69/30/02/571693002.db2.gz YIAAHIDKDOUCDM-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO CN1CCC[C@@]([NH3+])(CC2CCC2)CC1 213977634 571693077 /nfs/dbraw/zinc/69/30/77/571693077.db2.gz CVOYVRVWEQDCQI-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CCN1CC[C@@H]([NH3+])[C@H]1CC1CCCC1 712084053 571693101 /nfs/dbraw/zinc/69/31/01/571693101.db2.gz JHPPSVMUTZMDJG-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CCC[C@@](CN)(CC2CCC2)C1 213977978 571693507 /nfs/dbraw/zinc/69/35/07/571693507.db2.gz UIXBITCMRXQFOG-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO CC(C)(C)[C@@H]1CC[NH2+]CC[C@@H]1N 213978843 571693114 /nfs/dbraw/zinc/69/31/14/571693114.db2.gz YIAAHIDKDOUCDM-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@@H]1CCNCC[C@@H]1[NH3+] 213978843 571693118 /nfs/dbraw/zinc/69/31/18/571693118.db2.gz YIAAHIDKDOUCDM-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@@H]1CCNC[C@H]1C[NH3+] 213979644 571693196 /nfs/dbraw/zinc/69/31/96/571693196.db2.gz SSRMFQLQAUBZEV-RKDXNWHRSA-N 1 3 170.300 1.217 10 0 ADAEHO CC(C)(C)[C@@H]1CC[NH2+]C[C@H]1CN 213979644 571693192 /nfs/dbraw/zinc/69/31/92/571693192.db2.gz SSRMFQLQAUBZEV-RKDXNWHRSA-N 1 3 170.300 1.217 10 0 ADAEHO CCC[C@@H]1CCN(C)CC[C@@H]1[NH3+] 213979368 571693309 /nfs/dbraw/zinc/69/33/09/571693309.db2.gz GYRZLVCOABHQPA-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@H](C)CC2CC2)C1 70559232 571693398 /nfs/dbraw/zinc/69/33/98/571693398.db2.gz JYJMNBGJKRIRRG-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 70559232 571693400 /nfs/dbraw/zinc/69/34/00/571693400.db2.gz JYJMNBGJKRIRRG-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[C@H]1CCN(C)CC[C@@H]1[NH3+] 213978755 571693425 /nfs/dbraw/zinc/69/34/25/571693425.db2.gz BGTQKXKHUOLZLY-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CN1CCC[C@](C[NH3+])(CC2CCC2)C1 213977927 571693433 /nfs/dbraw/zinc/69/34/33/571693433.db2.gz UIXBITCMRXQFOG-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO C[N@@H+]1CCC[C@](CN)(CC2CCC2)C1 213977927 571693436 /nfs/dbraw/zinc/69/34/36/571693436.db2.gz UIXBITCMRXQFOG-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO C[N@H+]1CCC[C@](CN)(CC2CCC2)C1 213977927 571693438 /nfs/dbraw/zinc/69/34/38/571693438.db2.gz UIXBITCMRXQFOG-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CN1CCC[C@@](C[NH3+])(CC2CCC2)C1 213977978 571693500 /nfs/dbraw/zinc/69/35/00/571693500.db2.gz UIXBITCMRXQFOG-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO C[N@@H+]1CCC[C@@](CN)(CC2CCC2)C1 213977978 571693503 /nfs/dbraw/zinc/69/35/03/571693503.db2.gz UIXBITCMRXQFOG-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 70559231 571693549 /nfs/dbraw/zinc/69/35/49/571693549.db2.gz JYJMNBGJKRIRRG-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 70559231 571693552 /nfs/dbraw/zinc/69/35/52/571693552.db2.gz JYJMNBGJKRIRRG-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[C@@]1([NH3+])C[C@@H]1CCCCN1C 213975314 571693576 /nfs/dbraw/zinc/69/35/76/571693576.db2.gz WPJCUZFGRBWCMX-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)C[C@@H]1C[N@H+](C)C[C@@H]1CN 213980317 571693587 /nfs/dbraw/zinc/69/35/87/571693587.db2.gz NJMAASSLFLSRKI-ZJUUUORDSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@@H]1C[N@@H+](C)C[C@@H]1CN 213980317 571693591 /nfs/dbraw/zinc/69/35/91/571693591.db2.gz NJMAASSLFLSRKI-ZJUUUORDSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@@H]1CN(C)C[C@@H]1C[NH3+] 213980317 571693593 /nfs/dbraw/zinc/69/35/93/571693593.db2.gz NJMAASSLFLSRKI-ZJUUUORDSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@@H]1CC[NH2+]CC[C@H]1N 213979219 571693623 /nfs/dbraw/zinc/69/36/23/571693623.db2.gz ABJKASXUHIWWES-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@@H]1CCNCC[C@H]1[NH3+] 213979219 571693625 /nfs/dbraw/zinc/69/36/25/571693625.db2.gz ABJKASXUHIWWES-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)NC[C@@]1(CC2CC2)CC[NH2+]C1 213977359 571693638 /nfs/dbraw/zinc/69/36/38/571693638.db2.gz YYCIUMCLFBYESM-GFCCVEGCSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@H]1CCN(C)CC[C@@H]1[NH3+] 213979434 571693644 /nfs/dbraw/zinc/69/36/44/571693644.db2.gz GYRZLVCOABHQPA-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN1CCC[C@]([NH3+])(CC2CCC2)CC1 213977584 571693712 /nfs/dbraw/zinc/69/37/12/571693712.db2.gz CVOYVRVWEQDCQI-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO CCC[C@H]1CCN(C)C[C@@H]1C[NH3+] 213979844 571693760 /nfs/dbraw/zinc/69/37/60/571693760.db2.gz NJLPPBOUCYVQFX-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H]1CC[C@]12[C@H]([NH3+])CCN2C1CC1 712087990 571693761 /nfs/dbraw/zinc/69/37/61/571693761.db2.gz TXXYBBSITQHGEH-FBIMIBRVSA-N 1 3 180.295 1.351 10 0 ADAEHO CCC[C@@H]1CCN(C)C[C@@H]1C[NH3+] 213979783 571693798 /nfs/dbraw/zinc/69/37/98/571693798.db2.gz NJLPPBOUCYVQFX-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO CCCC[NH2+][C@H](C)CCNC 323033798 571693970 /nfs/dbraw/zinc/69/39/70/571693970.db2.gz XZVMXAONWQZDLK-SECBINFHSA-N 1 3 158.289 1.374 10 0 ADAEHO C[C@@H]1CC[C@]12[C@@H]([NH3+])CCN2C1CC1 712087986 571694059 /nfs/dbraw/zinc/69/40/59/571694059.db2.gz TXXYBBSITQHGEH-DVVUODLYSA-N 1 3 180.295 1.351 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)(C)C2CC2)C1 234404142 571694119 /nfs/dbraw/zinc/69/41/19/571694119.db2.gz BSVPLFYGAJELRR-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)(C)C2CC2)C1 234404142 571694123 /nfs/dbraw/zinc/69/41/23/571694123.db2.gz BSVPLFYGAJELRR-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C1CCC1)C1CN(C)C1 213966215 571694240 /nfs/dbraw/zinc/69/42/40/571694240.db2.gz XNNZSJGHWMMPEM-NSHDSACASA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H](CC[NH3+])CCNCc1ccoc1 393380079 571694245 /nfs/dbraw/zinc/69/42/45/571694245.db2.gz IQUYIBYWZCBGHU-JTQLQIEISA-N 1 3 196.294 1.744 10 0 ADAEHO C[C@@H]1C[C@@]1(N)CC[NH+]1CCCCCC1 213970594 571694247 /nfs/dbraw/zinc/69/42/47/571694247.db2.gz ZDCCZTXMLPXXJW-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO CN1CCC[C@@H]([C@H]([NH3+])C2CCC2)C1 213964628 571694265 /nfs/dbraw/zinc/69/42/65/571694265.db2.gz IIJNVCYWKXIHHH-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](CC[NH3+])CCNCc1ccoc1 393380080 571694276 /nfs/dbraw/zinc/69/42/76/571694276.db2.gz IQUYIBYWZCBGHU-SNVBAGLBSA-N 1 3 196.294 1.744 10 0 ADAEHO CN1CC([C@@H](C[NH3+])C2CCCC2)C1 213965622 571694303 /nfs/dbraw/zinc/69/43/03/571694303.db2.gz SZZXDRJZMFHDSZ-NSHDSACASA-N 1 3 182.311 1.313 10 0 ADAEHO CN1CC[C@H]1[C@@H](C[NH3+])C1CCCC1 213963260 571694330 /nfs/dbraw/zinc/69/43/30/571694330.db2.gz IVQPKNGNZKAAFA-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@]12[C@H]([NH3+])CCN2C1CC1 712087997 571694472 /nfs/dbraw/zinc/69/44/72/571694472.db2.gz TXXYBBSITQHGEH-IEBDPFPHSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1[C@@H](CN)C1CC1 213961926 571694480 /nfs/dbraw/zinc/69/44/80/571694480.db2.gz KOYLRLVJPITBOV-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCC[C@H]1[C@@H](CN)C1CC1 213961926 571694484 /nfs/dbraw/zinc/69/44/84/571694484.db2.gz KOYLRLVJPITBOV-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@]12[C@@H]([NH3+])CCN2C1CC1 712088003 571694582 /nfs/dbraw/zinc/69/45/82/571694582.db2.gz TXXYBBSITQHGEH-MIMYLULJSA-N 1 3 180.295 1.351 10 0 ADAEHO CC[C@@H]1C[C@@]1([NH3+])CCN1CCCCC1 213969333 571694631 /nfs/dbraw/zinc/69/46/31/571694631.db2.gz WFTQXFWQGOYNJF-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H]1C[C@]1(N)CC[NH+]1CCCCCC1 213970532 571694785 /nfs/dbraw/zinc/69/47/85/571694785.db2.gz ZDCCZTXMLPXXJW-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1[C@@H](CN)C1CC1 213961863 571694866 /nfs/dbraw/zinc/69/48/66/571694866.db2.gz KOYLRLVJPITBOV-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1[C@@H](CN)C1CC1 213961863 571694871 /nfs/dbraw/zinc/69/48/71/571694871.db2.gz KOYLRLVJPITBOV-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1C[C@]1([NH3+])CCN1CCCCC1 213969233 571694944 /nfs/dbraw/zinc/69/49/44/571694944.db2.gz WFTQXFWQGOYNJF-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@H](C)C[C@@H]1[C@H]([NH3+])CCN1CC 712097863 571694954 /nfs/dbraw/zinc/69/49/54/571694954.db2.gz YIOWDWLUHXECHT-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CN1CCCC[C@@H]([C@H]([NH3+])C2CC2)C1 213961491 571694958 /nfs/dbraw/zinc/69/49/58/571694958.db2.gz QRHFYMLLGIRTRG-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCCC[C@H]([C@H]([NH3+])C2CC2)C1 213961428 571695112 /nfs/dbraw/zinc/69/51/12/571695112.db2.gz QRHFYMLLGIRTRG-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CC[C@@H]1[C@@H](C[NH3+])C1CCCC1 213963200 571695147 /nfs/dbraw/zinc/69/51/47/571695147.db2.gz IVQPKNGNZKAAFA-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](CC[NH3+])CCNCc1ccco1 393382641 571695354 /nfs/dbraw/zinc/69/53/54/571695354.db2.gz KQMDIIZPPJDJOC-SNVBAGLBSA-N 1 3 196.294 1.744 10 0 ADAEHO C[C@@H]1C[C@]1(N)CC[NH+]1CCCCCC1 213970474 571695466 /nfs/dbraw/zinc/69/54/66/571695466.db2.gz ZDCCZTXMLPXXJW-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)[C@H]1C[C@]1([NH3+])CCN1CCCC1 213969535 571695541 /nfs/dbraw/zinc/69/55/41/571695541.db2.gz OCXLTIYOAWOQMO-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CC([C@H](C[NH3+])C2CCCC2)C1 213965682 571695559 /nfs/dbraw/zinc/69/55/59/571695559.db2.gz SZZXDRJZMFHDSZ-LLVKDONJSA-N 1 3 182.311 1.313 10 0 ADAEHO CC(C)[C@H]1C[C@@]1([NH3+])CCN1CCCC1 213969662 571695565 /nfs/dbraw/zinc/69/55/65/571695565.db2.gz OCXLTIYOAWOQMO-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@@H](C1CC1)[C@H]1CCC[N@@H+]1C 213962912 571695579 /nfs/dbraw/zinc/69/55/79/571695579.db2.gz UBUNAABQYQSKPH-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H](C1CC1)[C@H]1CCC[N@H+]1C 213962912 571695581 /nfs/dbraw/zinc/69/55/81/571695581.db2.gz UBUNAABQYQSKPH-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+]C[C@@H](C1CC1)[C@H]1CCCN1C 213962912 571695583 /nfs/dbraw/zinc/69/55/83/571695583.db2.gz UBUNAABQYQSKPH-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CN1CCC[C@H]([C@H]([NH3+])C2CCC2)C1 213964568 571695594 /nfs/dbraw/zinc/69/55/94/571695594.db2.gz IIJNVCYWKXIHHH-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CNC[C@H](C1CC1)[C@H]1CCC[N@@H+]1C 213962972 571695990 /nfs/dbraw/zinc/69/59/90/571695990.db2.gz UBUNAABQYQSKPH-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H](C1CC1)[C@H]1CCC[N@H+]1C 213962972 571695993 /nfs/dbraw/zinc/69/59/93/571695993.db2.gz UBUNAABQYQSKPH-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+]C[C@H](C1CC1)[C@H]1CCCN1C 213962972 571695995 /nfs/dbraw/zinc/69/59/95/571695995.db2.gz UBUNAABQYQSKPH-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CN1CC([C@@H](CC[NH3+])C2CCC2)C1 213966076 571696102 /nfs/dbraw/zinc/69/61/02/571696102.db2.gz MZKCMWUXLSZKIW-NSHDSACASA-N 1 3 182.311 1.313 10 0 ADAEHO CC(C)[C@@H]1C[C@@]1([NH3+])CCN1CCCC1 213969600 571696139 /nfs/dbraw/zinc/69/61/39/571696139.db2.gz OCXLTIYOAWOQMO-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H](C1CC1)[C@@H]1CCC[N@@H+]1C 213962855 571696156 /nfs/dbraw/zinc/69/61/56/571696156.db2.gz UBUNAABQYQSKPH-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H](C1CC1)[C@@H]1CCC[N@H+]1C 213962855 571696158 /nfs/dbraw/zinc/69/61/58/571696158.db2.gz UBUNAABQYQSKPH-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C[C@@H]2CC2(C)C)C1 234407334 571696159 /nfs/dbraw/zinc/69/61/59/571696159.db2.gz YQKGXYKDJMDBNV-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO C[NH2+]C[C@H](C1CC1)[C@@H]1CCCN1C 213962855 571696161 /nfs/dbraw/zinc/69/61/61/571696161.db2.gz UBUNAABQYQSKPH-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CC2(C)C)C1 234407334 571696162 /nfs/dbraw/zinc/69/61/62/571696162.db2.gz YQKGXYKDJMDBNV-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]CCCN)[C@@H](C)C1 221971905 571696216 /nfs/dbraw/zinc/69/62/16/571696216.db2.gz ZYKWLMYIFYEJJI-DCAQKATOSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1CC[N@H+](CCC2(N)CC2)C1 398058278 571696246 /nfs/dbraw/zinc/69/62/46/571696246.db2.gz GANLBUCUAUQHLH-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CCC2(N)CC2)C1 398058278 571696249 /nfs/dbraw/zinc/69/62/49/571696249.db2.gz GANLBUCUAUQHLH-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[NH2+]C[C@H](C1CCC1)C1CN(C)C1 213966261 571696250 /nfs/dbraw/zinc/69/62/50/571696250.db2.gz XNNZSJGHWMMPEM-LLVKDONJSA-N 1 3 182.311 1.184 10 0 ADAEHO CCC[C@@H]1[C@H]([NH3+])CCN1CC 22441490 571696266 /nfs/dbraw/zinc/69/62/66/571696266.db2.gz PHQCPBIUGJMVFV-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](C)C[C@@H]1[C@@H]([NH3+])CCN1CC 712097860 571696903 /nfs/dbraw/zinc/69/69/03/571696903.db2.gz YIOWDWLUHXECHT-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1[C@@H](CN)C1CCC1 213962253 571696741 /nfs/dbraw/zinc/69/67/41/571696741.db2.gz KBXLUILZZRFTAQ-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCC[C@@H]1[C@@H](CN)C1CCC1 213962253 571696744 /nfs/dbraw/zinc/69/67/44/571696744.db2.gz KBXLUILZZRFTAQ-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H]1C[C@]1([NH3+])CCN1CCCCC1 213969283 571696776 /nfs/dbraw/zinc/69/67/76/571696776.db2.gz WFTQXFWQGOYNJF-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@H](C)C[C@H]1[C@@H]([NH3+])CCN1CC 712097857 571697054 /nfs/dbraw/zinc/69/70/54/571697054.db2.gz YIOWDWLUHXECHT-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)CNC[C@@]1(C)CCC[NH2+]1 70619912 571697206 /nfs/dbraw/zinc/69/72/06/571697206.db2.gz SWFUZYUUAWKLEV-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@@]1(C)CCCN1 70619912 571697210 /nfs/dbraw/zinc/69/72/10/571697210.db2.gz SWFUZYUUAWKLEV-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)(C)C[C@H]1CCNC[C@H]1[NH3+] 213981288 571697360 /nfs/dbraw/zinc/69/73/60/571697360.db2.gz UOHSZGXBAIKHLH-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@]1(C)CCCN1 70619675 571697373 /nfs/dbraw/zinc/69/73/73/571697373.db2.gz HYFKWRSBAHQXSI-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H](CC[NH3+])CCNCc1ccco1 393382638 571697530 /nfs/dbraw/zinc/69/75/30/571697530.db2.gz KQMDIIZPPJDJOC-JTQLQIEISA-N 1 3 196.294 1.744 10 0 ADAEHO CC(C)CC[C@H]1CCNC[C@@H]1[NH3+] 213981425 571697566 /nfs/dbraw/zinc/69/75/66/571697566.db2.gz DRARLLXHUGPFNU-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620331 571697661 /nfs/dbraw/zinc/69/76/61/571697661.db2.gz OKUCIHDAFAORJX-GCHJQGSQSA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620336 571697675 /nfs/dbraw/zinc/69/76/75/571697675.db2.gz YTHXNLZWXNYASR-RHYQMDGZSA-N 1 3 196.338 1.605 10 0 ADAEHO CC[C@@H](C)CNC[C@@]1(C)CCC[NH2+]1 70619911 571697735 /nfs/dbraw/zinc/69/77/35/571697735.db2.gz SWFUZYUUAWKLEV-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCCN1 70619911 571697737 /nfs/dbraw/zinc/69/77/37/571697737.db2.gz SWFUZYUUAWKLEV-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@]1(C)CCCN1 70619674 571697876 /nfs/dbraw/zinc/69/78/76/571697876.db2.gz HYFKWRSBAHQXSI-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@H](C)C[C@H]1[C@H]([NH3+])CCN1CC 712097852 571697913 /nfs/dbraw/zinc/69/79/13/571697913.db2.gz YIOWDWLUHXECHT-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620335 571697988 /nfs/dbraw/zinc/69/79/88/571697988.db2.gz YTHXNLZWXNYASR-KXNHARMFSA-N 1 3 196.338 1.605 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620329 571698081 /nfs/dbraw/zinc/69/80/81/571698081.db2.gz OKUCIHDAFAORJX-ZIQFBCGOSA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620326 571698207 /nfs/dbraw/zinc/69/82/07/571698207.db2.gz BVXAEEIDGRLVOR-RCWTZXSCSA-N 1 3 182.311 1.358 10 0 ADAEHO CC(C)C[NH2+]C[C@]1(C)CCCN1 70619679 571698254 /nfs/dbraw/zinc/69/82/54/571698254.db2.gz BOGXFKUKNDDXNQ-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@]1(C)CCCN1 70619673 571698304 /nfs/dbraw/zinc/69/83/04/571698304.db2.gz HYFKWRSBAHQXSI-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@H](C)CNC[C@]1(C)CCC[NH2+]1 70619909 571698436 /nfs/dbraw/zinc/69/84/36/571698436.db2.gz SWFUZYUUAWKLEV-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@]1(C)CCCN1 70619909 571698440 /nfs/dbraw/zinc/69/84/40/571698440.db2.gz SWFUZYUUAWKLEV-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)C[NH2+]C[C@@]1(C)CCCN1 70619680 571698790 /nfs/dbraw/zinc/69/87/90/571698790.db2.gz BOGXFKUKNDDXNQ-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@]1(C)CCCN1 70619910 571698873 /nfs/dbraw/zinc/69/88/73/571698873.db2.gz SWFUZYUUAWKLEV-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@H](C)CNC[C@]1(C)CCC[NH2+]1 70619910 571698869 /nfs/dbraw/zinc/69/88/69/571698869.db2.gz SWFUZYUUAWKLEV-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)[NH2+]C[C@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620325 571699021 /nfs/dbraw/zinc/69/90/21/571699021.db2.gz BVXAEEIDGRLVOR-YTWAJWBKSA-N 1 3 182.311 1.358 10 0 ADAEHO CC(C)(C)C[C@@H]1CCNC[C@H]1[NH3+] 213981240 571699081 /nfs/dbraw/zinc/69/90/81/571699081.db2.gz UOHSZGXBAIKHLH-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@]1(C)CCCN1 70619676 571699179 /nfs/dbraw/zinc/69/91/79/571699179.db2.gz HYFKWRSBAHQXSI-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620330 571699270 /nfs/dbraw/zinc/69/92/70/571699270.db2.gz OKUCIHDAFAORJX-MJDLHHQISA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)(C)C[C@H]1CCNC[C@@H]1[NH3+] 213981187 571699399 /nfs/dbraw/zinc/69/93/99/571699399.db2.gz UOHSZGXBAIKHLH-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[N@H+](C)CCC1(N)CC1 213981049 571699331 /nfs/dbraw/zinc/69/93/31/571699331.db2.gz SHUAHHUJXZKQCA-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)C[N@@H+](C)CCC1(N)CC1 213981049 571699332 /nfs/dbraw/zinc/69/93/32/571699332.db2.gz SHUAHHUJXZKQCA-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)CN(C)CCC1([NH3+])CC1 213981049 571699334 /nfs/dbraw/zinc/69/93/34/571699334.db2.gz SHUAHHUJXZKQCA-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)(C)C[C@@H]1CCNC[C@@H]1[NH3+] 213981125 571699484 /nfs/dbraw/zinc/69/94/84/571699484.db2.gz UOHSZGXBAIKHLH-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@H]1[C@@H](N)[C@H]2CC[C@@H]1C2 70620332 571699782 /nfs/dbraw/zinc/69/97/82/571699782.db2.gz OKUCIHDAFAORJX-OSUNSFLBSA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)CC[C@@H]1CCNC[C@H]1[NH3+] 213981478 571699832 /nfs/dbraw/zinc/69/98/32/571699832.db2.gz DRARLLXHUGPFNU-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CCCCCC[NH2+]C1CCNCC1 38040716 571699851 /nfs/dbraw/zinc/69/98/51/571699851.db2.gz KEGRMUSCFZFSTQ-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@]12CCCC2(C)C 712123556 571700495 /nfs/dbraw/zinc/70/04/95/571700495.db2.gz PTHMJDFDPYQHBS-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]([NH2+]C)[C@H]1CCCCN(C)C1 214032177 571703017 /nfs/dbraw/zinc/70/30/17/571703017.db2.gz GBEWYGSLVLBQTC-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@]12CCCC2(C)C 712123554 571703051 /nfs/dbraw/zinc/70/30/51/571703051.db2.gz PTHMJDFDPYQHBS-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@H]([NH3+])[C@H]1CCCCN(C)C1 214032393 571703518 /nfs/dbraw/zinc/70/35/18/571703518.db2.gz RQSNDLRDFPPAMN-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H]([NH2+]C)[C@H]1CCCCN(C)C1 214032120 571703829 /nfs/dbraw/zinc/70/38/29/571703829.db2.gz GBEWYGSLVLBQTC-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@H]([NH3+])[C@@H]1CCCCN(C)C1 214032270 571704540 /nfs/dbraw/zinc/70/45/40/571704540.db2.gz RQSNDLRDFPPAMN-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H]([NH2+]C)[C@@H]1CCCCN(C)C1 214032005 571704703 /nfs/dbraw/zinc/70/47/03/571704703.db2.gz GBEWYGSLVLBQTC-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@@H]([NH3+])[C@@H]1CCCCN(C)C1 214032330 571704794 /nfs/dbraw/zinc/70/47/94/571704794.db2.gz RQSNDLRDFPPAMN-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CNC[C@@H](C)[C@H]1CCCCC[N@@H+]1C 214034282 571705661 /nfs/dbraw/zinc/70/56/61/571705661.db2.gz MQOHVOPJIDURFV-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H]1CCCCN1C 214034622 571706939 /nfs/dbraw/zinc/70/69/39/571706939.db2.gz RFVGFZWWBUUSEQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](CNC)[C@@H]1CCCC[N@@H+]1C 214034670 571705556 /nfs/dbraw/zinc/70/55/56/571705556.db2.gz RFVGFZWWBUUSEQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](CNC)[C@@H]1CCCC[N@H+]1C 214034670 571705557 /nfs/dbraw/zinc/70/55/57/571705557.db2.gz RFVGFZWWBUUSEQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H]1CCCCN1C 214034670 571705554 /nfs/dbraw/zinc/70/55/54/571705554.db2.gz RFVGFZWWBUUSEQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@@H](C)[C@H]1CCCCC[N@H+]1C 214034282 571705665 /nfs/dbraw/zinc/70/56/65/571705665.db2.gz MQOHVOPJIDURFV-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@@H](C)[C@@H]1CCCCC[N@@H+]1C 214034162 571705692 /nfs/dbraw/zinc/70/56/92/571705692.db2.gz MQOHVOPJIDURFV-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@@H](C)[C@@H]1CCCCC[N@H+]1C 214034162 571705695 /nfs/dbraw/zinc/70/56/95/571705695.db2.gz MQOHVOPJIDURFV-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@]12CCC(C)(C)C2 712132620 571705927 /nfs/dbraw/zinc/70/59/27/571705927.db2.gz LZBVXPOTAWTIAG-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]1CCC[N@@H+]1C 214035382 571706012 /nfs/dbraw/zinc/70/60/12/571706012.db2.gz BQMZDEKWHHTHAH-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]1CCC[N@H+]1C 214035382 571706015 /nfs/dbraw/zinc/70/60/15/571706015.db2.gz BQMZDEKWHHTHAH-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H](CN)[C@@H]1CCCCC[N@@H+]1C 214033139 571706022 /nfs/dbraw/zinc/70/60/22/571706022.db2.gz YBTMBRLIGUCYNX-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CN)[C@@H]1CCCCC[N@H+]1C 214033139 571706025 /nfs/dbraw/zinc/70/60/25/571706025.db2.gz YBTMBRLIGUCYNX-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[C@@H]([NH3+])[C@H]1CCCCN(C)C1 214032448 571706414 /nfs/dbraw/zinc/70/64/14/571706414.db2.gz RQSNDLRDFPPAMN-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CN)[C@H]1CCCCC[N@@H+]1C 214033257 571706557 /nfs/dbraw/zinc/70/65/57/571706557.db2.gz YBTMBRLIGUCYNX-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CN)[C@H]1CCCCC[N@H+]1C 214033257 571706560 /nfs/dbraw/zinc/70/65/60/571706560.db2.gz YBTMBRLIGUCYNX-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)[C@@H]1CCCCC[N@@H+]1C 214033082 571706715 /nfs/dbraw/zinc/70/67/15/571706715.db2.gz YBTMBRLIGUCYNX-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)[C@@H]1CCCCC[N@H+]1C 214033082 571706718 /nfs/dbraw/zinc/70/67/18/571706718.db2.gz YBTMBRLIGUCYNX-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CNC)[C@@H]1CCCC[N@@H+]1C 214034622 571706943 /nfs/dbraw/zinc/70/69/43/571706943.db2.gz RFVGFZWWBUUSEQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](CNC)[C@@H]1CCCC[N@H+]1C 214034622 571706946 /nfs/dbraw/zinc/70/69/46/571706946.db2.gz RFVGFZWWBUUSEQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)[C@H]1CCCCC[N@@H+]1C 214034224 571707271 /nfs/dbraw/zinc/70/72/71/571707271.db2.gz MQOHVOPJIDURFV-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)[C@H]1CCCCC[N@H+]1C 214034224 571707273 /nfs/dbraw/zinc/70/72/73/571707273.db2.gz MQOHVOPJIDURFV-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H]1[C@@H]([NH3+])CCN1CC 22943676 571707302 /nfs/dbraw/zinc/70/73/02/571707302.db2.gz PHQCPBIUGJMVFV-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](CN)[C@H]1CCCCC[N@@H+]1C 214033200 571707422 /nfs/dbraw/zinc/70/74/22/571707422.db2.gz YBTMBRLIGUCYNX-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)[C@H]1CCCCC[N@H+]1C 214033200 571707425 /nfs/dbraw/zinc/70/74/25/571707425.db2.gz YBTMBRLIGUCYNX-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H]1CCCCN1C 214034789 571707694 /nfs/dbraw/zinc/70/76/94/571707694.db2.gz RFVGFZWWBUUSEQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](CNC)[C@H]1CCCC[N@@H+]1C 214034789 571707696 /nfs/dbraw/zinc/70/76/96/571707696.db2.gz RFVGFZWWBUUSEQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](CNC)[C@H]1CCCC[N@H+]1C 214034789 571707700 /nfs/dbraw/zinc/70/77/00/571707700.db2.gz RFVGFZWWBUUSEQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)[C@@H]1CCCCC[N@@H+]1C 214034104 571707731 /nfs/dbraw/zinc/70/77/31/571707731.db2.gz MQOHVOPJIDURFV-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)[C@@H]1CCCCC[N@H+]1C 214034104 571707735 /nfs/dbraw/zinc/70/77/35/571707735.db2.gz MQOHVOPJIDURFV-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@@H]1[C@@H]([NH3+])CCN1CC 22943672 571707749 /nfs/dbraw/zinc/70/77/49/571707749.db2.gz PHQCPBIUGJMVFV-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCCN(C)[C@H](C)CC(N)=[NH2+] 108279753 571708733 /nfs/dbraw/zinc/70/87/33/571708733.db2.gz PJWZXTHHKUROSB-MRVPVSSYSA-N 1 3 171.288 1.433 10 0 ADAEHO NC1(CC[NH2+]CCCC2CC2)CC1 398068588 571708995 /nfs/dbraw/zinc/70/89/95/571708995.db2.gz KSELPKKKNCERDW-UHFFFAOYSA-N 1 3 182.311 1.648 10 0 ADAEHO C[C@H](NCCCC[NH3+])c1nccs1 70634561 571709003 /nfs/dbraw/zinc/70/90/03/571709003.db2.gz PGMUUOIIJCISGP-QMMMGPOBSA-N 1 3 199.323 1.533 10 0 ADAEHO CCC[C@H]1[C@H]([NH3+])CCN1CC 22943680 571709123 /nfs/dbraw/zinc/70/91/23/571709123.db2.gz PHQCPBIUGJMVFV-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CCN1 70632837 571709642 /nfs/dbraw/zinc/70/96/42/571709642.db2.gz GEGRPQNRLGNVMH-UMNHJUIQSA-N 1 3 194.322 1.517 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H]1[C@@H]1CC1(C)C 712139788 571710213 /nfs/dbraw/zinc/71/02/13/571710213.db2.gz YOSBGBFBLWCDEL-LPEHRKFASA-N 1 3 182.311 1.454 10 0 ADAEHO NC1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 70632936 571710336 /nfs/dbraw/zinc/71/03/36/571710336.db2.gz JTBQFVWERYPAGZ-UMNHJUIQSA-N 1 3 194.322 1.598 10 0 ADAEHO [NH3+]C1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 70632936 571710338 /nfs/dbraw/zinc/71/03/38/571710338.db2.gz JTBQFVWERYPAGZ-UMNHJUIQSA-N 1 3 194.322 1.598 10 0 ADAEHO C1CC([NH2+][C@H]2C[C@@H]3CC[C@H]2C3)CCN1 70632836 571710789 /nfs/dbraw/zinc/71/07/89/571710789.db2.gz GEGRPQNRLGNVMH-SCVCMEIPSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H](NCCCC[NH3+])c1nccs1 70634562 571710879 /nfs/dbraw/zinc/71/08/79/571710879.db2.gz PGMUUOIIJCISGP-MRVPVSSYSA-N 1 3 199.323 1.533 10 0 ADAEHO C/C=C\CCN1CC[C@H]([NH3+])[C@@H](C)C1 388438294 571711255 /nfs/dbraw/zinc/71/12/55/571711255.db2.gz BWVYZRVLYHKJAK-WZQADMAKSA-N 1 3 182.311 1.622 10 0 ADAEHO C/C=C\CCN1CC[C@H]([NH3+])[C@H](C)C1 388438293 571711384 /nfs/dbraw/zinc/71/13/84/571711384.db2.gz BWVYZRVLYHKJAK-CJOPTALJSA-N 1 3 182.311 1.622 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H]1[C@H]1CC1(C)C 712139790 571711612 /nfs/dbraw/zinc/71/16/12/571711612.db2.gz YOSBGBFBLWCDEL-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H]1[C@@H]1CC1(C)C 712139781 571711882 /nfs/dbraw/zinc/71/18/82/571711882.db2.gz YOSBGBFBLWCDEL-GUBZILKMSA-N 1 3 182.311 1.454 10 0 ADAEHO CNCC[C@H](C)[N@H+](CC1CC1)C1CC1 70636034 571712473 /nfs/dbraw/zinc/71/24/73/571712473.db2.gz KJXYFVGKSIWAAP-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CS[C@H]1CCC[C@H]1[NH2+]CCCN 235261874 571712261 /nfs/dbraw/zinc/71/22/61/571712261.db2.gz ZCMDCPOEFAFLIE-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO CS[C@H]1CCC[C@H]1NCCC[NH3+] 235261874 571712262 /nfs/dbraw/zinc/71/22/62/571712262.db2.gz ZCMDCPOEFAFLIE-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO C[NH2+][C@@H](C)CCN(CC1CC1)C1CC1 70635730 571712316 /nfs/dbraw/zinc/71/23/16/571712316.db2.gz ZKAIHOYXMTYRHV-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[C@H](C)[N@@H+](CC1CC1)C1CC1 70636034 571712475 /nfs/dbraw/zinc/71/24/75/571712475.db2.gz KJXYFVGKSIWAAP-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](CCN)[N@H+](CC1CC1)C1CC1 70635279 571712454 /nfs/dbraw/zinc/71/24/54/571712454.db2.gz NYOACOCBUXZDRI-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](CC1CC1)C1CC1 70635279 571712455 /nfs/dbraw/zinc/71/24/55/571712455.db2.gz NYOACOCBUXZDRI-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+]CC[C@H](C)N(CC1CC1)C1CC1 70636034 571712477 /nfs/dbraw/zinc/71/24/77/571712477.db2.gz KJXYFVGKSIWAAP-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](CN)C[N@H+](CC1CC1)C1CC1 70635296 571712535 /nfs/dbraw/zinc/71/25/35/571712535.db2.gz SHMCQBPKSNTXKL-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](CN)C[N@@H+](CC1CC1)C1CC1 70635296 571712538 /nfs/dbraw/zinc/71/25/38/571712538.db2.gz SHMCQBPKSNTXKL-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](CN)C[N@H+](CC1CC1)C1CC1 70635298 571712807 /nfs/dbraw/zinc/71/28/07/571712807.db2.gz SHMCQBPKSNTXKL-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](CN)C[N@@H+](CC1CC1)C1CC1 70635298 571712811 /nfs/dbraw/zinc/71/28/11/571712811.db2.gz SHMCQBPKSNTXKL-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CNCC[C@@H](C)[N@H+](CC1CC1)C1CC1 70636035 571712946 /nfs/dbraw/zinc/71/29/46/571712946.db2.gz KJXYFVGKSIWAAP-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[C@@H](C)[N@@H+](CC1CC1)C1CC1 70636035 571712948 /nfs/dbraw/zinc/71/29/48/571712948.db2.gz KJXYFVGKSIWAAP-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]CC[C@@H](C)N(CC1CC1)C1CC1 70636035 571712950 /nfs/dbraw/zinc/71/29/50/571712950.db2.gz KJXYFVGKSIWAAP-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H]1[C@H]1CC1(C)C 712139785 571713055 /nfs/dbraw/zinc/71/30/55/571713055.db2.gz YOSBGBFBLWCDEL-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[NH2+]CCCN1CCC2(CC2)C1 400001825 571713240 /nfs/dbraw/zinc/71/32/40/571713240.db2.gz OHKLYRGZDOUTLH-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO C[C@H](CCN)[N@@H+](CC1CC1)C1CC1 70635310 571713463 /nfs/dbraw/zinc/71/34/63/571713463.db2.gz DBXPDIWTXRSAJO-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+][C@H](C)CCN(CC1CC1)C1CC1 70635732 571713423 /nfs/dbraw/zinc/71/34/23/571713423.db2.gz ZKAIHOYXMTYRHV-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](CCN)[N@H+](CC1CC1)C1CC1 70635308 571713430 /nfs/dbraw/zinc/71/34/30/571713430.db2.gz DBXPDIWTXRSAJO-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](CCN)[N@@H+](CC1CC1)C1CC1 70635308 571713432 /nfs/dbraw/zinc/71/34/32/571713432.db2.gz DBXPDIWTXRSAJO-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](CCN)[N@H+](CC1CC1)C1CC1 70635310 571713462 /nfs/dbraw/zinc/71/34/62/571713462.db2.gz DBXPDIWTXRSAJO-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH3+])[C@@H](N2CCCC2)C1 23067004 571714099 /nfs/dbraw/zinc/71/40/99/571714099.db2.gz JHSGSZANGSLLSE-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H](CCN)[N@H+](CC1CC1)C1CC1 70635282 571714063 /nfs/dbraw/zinc/71/40/63/571714063.db2.gz NYOACOCBUXZDRI-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H](CCN)[N@@H+](CC1CC1)C1CC1 70635282 571714065 /nfs/dbraw/zinc/71/40/65/571714065.db2.gz NYOACOCBUXZDRI-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CNCC1(C)CC1 235266182 571714066 /nfs/dbraw/zinc/71/40/66/571714066.db2.gz NDLGQNUEBQKSJV-ZJUUUORDSA-N 1 3 182.311 1.232 10 0 ADAEHO C[NH2+]CCCN(CC1CC1)C1CC1 70635683 571714257 /nfs/dbraw/zinc/71/42/57/571714257.db2.gz NHGNNRWBAAPSOP-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCCC[N@H+](CC1CC1)C1CC1 70635683 571714258 /nfs/dbraw/zinc/71/42/58/571714258.db2.gz NHGNNRWBAAPSOP-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCCC[N@@H+](CC1CC1)C1CC1 70635683 571714259 /nfs/dbraw/zinc/71/42/59/571714259.db2.gz NHGNNRWBAAPSOP-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](N2CCCC2)C1 23067000 571714528 /nfs/dbraw/zinc/71/45/28/571714528.db2.gz JHSGSZANGSLLSE-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@H+](C)C2CC2)C1 37159234 571715290 /nfs/dbraw/zinc/71/52/90/571715290.db2.gz AEQQBFNAWLOBBD-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@H]([N@@H+](C)C2CC2)C1 37159234 571715292 /nfs/dbraw/zinc/71/52/92/571715292.db2.gz AEQQBFNAWLOBBD-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C2CC2)C1 37159234 571715294 /nfs/dbraw/zinc/71/52/94/571715294.db2.gz AEQQBFNAWLOBBD-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@H]([NH+]2CCCC2)C1 37156883 571715429 /nfs/dbraw/zinc/71/54/29/571715429.db2.gz LDHIVEDBRPGEQG-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1CN 37159242 571715963 /nfs/dbraw/zinc/71/59/63/571715963.db2.gz GHZCEJWGKGLEBA-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1CN 37159242 571715966 /nfs/dbraw/zinc/71/59/66/571715966.db2.gz GHZCEJWGKGLEBA-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](C1CCCC1)[C@H]1CCC[C@@H]1CN 37159389 571715580 /nfs/dbraw/zinc/71/55/80/571715580.db2.gz STFSBEKFROHRCJ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1CN 37159389 571715584 /nfs/dbraw/zinc/71/55/84/571715584.db2.gz STFSBEKFROHRCJ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(C1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] 37159242 571715968 /nfs/dbraw/zinc/71/59/68/571715968.db2.gz GHZCEJWGKGLEBA-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO NCCC[NH2+]CCc1cccc(F)c1 135270993 571715682 /nfs/dbraw/zinc/71/56/82/571715682.db2.gz HTNVKOKWVHUAGC-UHFFFAOYSA-N 1 3 196.269 1.307 10 0 ADAEHO [NH3+]CCCNCCc1cccc(F)c1 135270993 571715684 /nfs/dbraw/zinc/71/56/84/571715684.db2.gz HTNVKOKWVHUAGC-UHFFFAOYSA-N 1 3 196.269 1.307 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@H]([NH+]2CCCC2)C1 37156879 571715976 /nfs/dbraw/zinc/71/59/76/571715976.db2.gz LDHIVEDBRPGEQG-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@H](CN)[C@H]([NH+](C)C)C1 37158283 571715840 /nfs/dbraw/zinc/71/58/40/571715840.db2.gz UWURTGZEOCMXCZ-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C)C1 37158283 571715841 /nfs/dbraw/zinc/71/58/41/571715841.db2.gz UWURTGZEOCMXCZ-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+](C1CCCC1)[C@@H]1CCC[C@@H]1CN 37159387 571715923 /nfs/dbraw/zinc/71/59/23/571715923.db2.gz STFSBEKFROHRCJ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1CN 37159387 571715925 /nfs/dbraw/zinc/71/59/25/571715925.db2.gz STFSBEKFROHRCJ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1CN 37159244 571716091 /nfs/dbraw/zinc/71/60/91/571716091.db2.gz GHZCEJWGKGLEBA-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1CN 37159244 571716093 /nfs/dbraw/zinc/71/60/93/571716093.db2.gz GHZCEJWGKGLEBA-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] 37159244 571716095 /nfs/dbraw/zinc/71/60/95/571716095.db2.gz GHZCEJWGKGLEBA-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@@H]1CN 37157102 571716349 /nfs/dbraw/zinc/71/63/49/571716349.db2.gz JEEFLEYNEYENJC-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([NH+](C)C)C1 37158287 571716127 /nfs/dbraw/zinc/71/61/27/571716127.db2.gz UWURTGZEOCMXCZ-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C)C1 37158287 571716128 /nfs/dbraw/zinc/71/61/28/571716128.db2.gz UWURTGZEOCMXCZ-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CNCC1(C)CC1 235277025 571716216 /nfs/dbraw/zinc/71/62/16/571716216.db2.gz SYFWIIFVJPOLAV-VHSXEESVSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1CN 37159132 571716304 /nfs/dbraw/zinc/71/63/04/571716304.db2.gz XOHOOZXOPSIZOE-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1CN 37159132 571716305 /nfs/dbraw/zinc/71/63/05/571716305.db2.gz XOHOOZXOPSIZOE-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1CN 37157102 571716352 /nfs/dbraw/zinc/71/63/52/571716352.db2.gz JEEFLEYNEYENJC-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)C2CC2)C1 37159230 571716413 /nfs/dbraw/zinc/71/64/13/571716413.db2.gz AEQQBFNAWLOBBD-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)C2CC2)C1 37159230 571716416 /nfs/dbraw/zinc/71/64/16/571716416.db2.gz AEQQBFNAWLOBBD-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C2CC2)C1 37159230 571716418 /nfs/dbraw/zinc/71/64/18/571716418.db2.gz AEQQBFNAWLOBBD-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@H]1CC[C@H]([NH2+]CCCN)C1 70643356 571717677 /nfs/dbraw/zinc/71/76/77/571717677.db2.gz ZTNYNSRTKLQWSE-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)C2)C1 70644920 571718409 /nfs/dbraw/zinc/71/84/09/571718409.db2.gz TYJCCRCYVYYPDA-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C)C2)C1 70644920 571718412 /nfs/dbraw/zinc/71/84/12/571718412.db2.gz TYJCCRCYVYYPDA-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]CCCN)C1 70643357 571718764 /nfs/dbraw/zinc/71/87/64/571718764.db2.gz ZTNYNSRTKLQWSE-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[N@H+](CCC1(N)CC1)CC1CCC1 398077786 571718777 /nfs/dbraw/zinc/71/87/77/571718777.db2.gz PPOUIEUOQLNETG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[N@@H+](CCC1(N)CC1)CC1CCC1 398077786 571718780 /nfs/dbraw/zinc/71/87/80/571718780.db2.gz PPOUIEUOQLNETG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CN(CCC1([NH3+])CC1)CC1CCC1 398077786 571718784 /nfs/dbraw/zinc/71/87/84/571718784.db2.gz PPOUIEUOQLNETG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@H]1CC[C@@H]([NH2+]CCCN)C1 70643358 571718987 /nfs/dbraw/zinc/71/89/87/571718987.db2.gz ZTNYNSRTKLQWSE-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]CCCN)C1 70643355 571719030 /nfs/dbraw/zinc/71/90/30/571719030.db2.gz ZTNYNSRTKLQWSE-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CNCC1(C)CC1 235272542 571719329 /nfs/dbraw/zinc/71/93/29/571719329.db2.gz NDLGQNUEBQKSJV-NXEZZACHSA-N 1 3 182.311 1.232 10 0 ADAEHO C[NH+](C)C[C@@](C)(CN)Cc1ccco1 11800524 571719947 /nfs/dbraw/zinc/71/99/47/571719947.db2.gz WQUQCJDBPYLHRD-LLVKDONJSA-N 1 3 196.294 1.349 10 0 ADAEHO CN(C)C[C@H](C[NH3+])Cc1cccs1 11799937 571720337 /nfs/dbraw/zinc/72/03/37/571720337.db2.gz CBUMJKYLNYEKND-VIFPVBQESA-N 1 3 198.335 1.427 10 0 ADAEHO C[NH+](C)C[C@](C)(CN)Cc1ccco1 11800526 571720465 /nfs/dbraw/zinc/72/04/65/571720465.db2.gz WQUQCJDBPYLHRD-NSHDSACASA-N 1 3 196.294 1.349 10 0 ADAEHO CN(C)C[C@@H](C[NH3+])Cc1cccs1 11799935 571720750 /nfs/dbraw/zinc/72/07/50/571720750.db2.gz CBUMJKYLNYEKND-SECBINFHSA-N 1 3 198.335 1.427 10 0 ADAEHO CCC(C)(C)C[NH2+]CCC1(N)CC1 398088499 571720962 /nfs/dbraw/zinc/72/09/62/571720962.db2.gz WHDISFMXNCLTOR-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CC1=C[C@H](C)C[C@H](C[NH2+]CCCN)C1 235284533 571721842 /nfs/dbraw/zinc/72/18/42/571721842.db2.gz NDOWRLXFPXGPAG-JQWIXIFHSA-N 1 3 196.338 1.917 10 0 ADAEHO NC1(CC[NH2+][C@@H]2[C@H]3CCCC[C@H]32)CC1 398093483 571722213 /nfs/dbraw/zinc/72/22/13/571722213.db2.gz PDBSWJGHZRLVIY-URLYPYJESA-N 1 3 194.322 1.646 10 0 ADAEHO [NH3+]CC[C@H](c1ccc[nH]1)N1CCCC1 11761661 571725081 /nfs/dbraw/zinc/72/50/81/571725081.db2.gz BXZPCWMUWFZBMJ-LLVKDONJSA-N 1 3 193.294 1.500 10 0 ADAEHO [NH3+]CC[C@@H](c1ccc[nH]1)N1CCCC1 11761667 571725819 /nfs/dbraw/zinc/72/58/19/571725819.db2.gz BXZPCWMUWFZBMJ-NSHDSACASA-N 1 3 193.294 1.500 10 0 ADAEHO C[NH2+]C[C@H](C1CC1)[C@H]1CCCCN1C 214179166 571727586 /nfs/dbraw/zinc/72/75/86/571727586.db2.gz JGIQLSCZDZPDAQ-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CC1)[C@H]1CCCC[N@@H+]1C 214179166 571727588 /nfs/dbraw/zinc/72/75/88/571727588.db2.gz JGIQLSCZDZPDAQ-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CC1)[C@H]1CCCC[N@H+]1C 214179166 571727592 /nfs/dbraw/zinc/72/75/92/571727592.db2.gz JGIQLSCZDZPDAQ-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[N@@H+]1CCC[C@H]1[C@@H](CN)C1CCCC1 214179302 571727720 /nfs/dbraw/zinc/72/77/20/571727720.db2.gz TXYQGTUHXHONLJ-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCC[C@H]1[C@@H](CN)C1CCCC1 214179302 571727723 /nfs/dbraw/zinc/72/77/23/571727723.db2.gz TXYQGTUHXHONLJ-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1[C@@H](CN)C1CCCC1 214179246 571727740 /nfs/dbraw/zinc/72/77/40/571727740.db2.gz TXYQGTUHXHONLJ-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCC[C@@H]1[C@@H](CN)C1CCCC1 214179246 571727744 /nfs/dbraw/zinc/72/77/44/571727744.db2.gz TXYQGTUHXHONLJ-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+][C@H](C1CC1)[C@@H]1CCCCN(C)C1 214177064 571727774 /nfs/dbraw/zinc/72/77/74/571727774.db2.gz DEYNYMQWERQKAT-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[N@@H+]1CCCCC[C@H]1[C@@H](CN)C1CC1 214177452 571727867 /nfs/dbraw/zinc/72/78/67/571727867.db2.gz PSHWTQODIMLSJS-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCCCC[C@H]1[C@@H](CN)C1CC1 214177452 571727871 /nfs/dbraw/zinc/72/78/71/571727871.db2.gz PSHWTQODIMLSJS-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCCC[C@@H]([C@H]([NH3+])C2CCC2)C1 214176785 571728097 /nfs/dbraw/zinc/72/80/97/571728097.db2.gz PNLPELLMNRUQRE-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@@H](C1CC1)[C@@H]1CCCCN1C 214178992 571728208 /nfs/dbraw/zinc/72/82/08/571728208.db2.gz JGIQLSCZDZPDAQ-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CC1)[C@@H]1CCCC[N@@H+]1C 214178992 571728211 /nfs/dbraw/zinc/72/82/11/571728211.db2.gz JGIQLSCZDZPDAQ-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CC1)[C@@H]1CCCC[N@H+]1C 214178992 571728215 /nfs/dbraw/zinc/72/82/15/571728215.db2.gz JGIQLSCZDZPDAQ-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CCC1)[C@@H]1CCC[N@@H+]1C 214179573 571728304 /nfs/dbraw/zinc/72/83/04/571728304.db2.gz KEVLVUGDZPJFRS-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CCC1)[C@@H]1CCC[N@H+]1C 214179573 571728307 /nfs/dbraw/zinc/72/83/07/571728307.db2.gz KEVLVUGDZPJFRS-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H](C1CCC1)[C@@H]1CCCN1C 214179573 571728311 /nfs/dbraw/zinc/72/83/11/571728311.db2.gz KEVLVUGDZPJFRS-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CCC1)[C@H]1CCC[N@@H+]1C 214179679 571728481 /nfs/dbraw/zinc/72/84/81/571728481.db2.gz KEVLVUGDZPJFRS-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CCC1)[C@H]1CCC[N@H+]1C 214179679 571728483 /nfs/dbraw/zinc/72/84/83/571728483.db2.gz KEVLVUGDZPJFRS-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H](C1CCC1)[C@H]1CCCN1C 214179679 571728485 /nfs/dbraw/zinc/72/84/85/571728485.db2.gz KEVLVUGDZPJFRS-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C1CC1)[C@H]1CCCCN1C 214179108 571728567 /nfs/dbraw/zinc/72/85/67/571728567.db2.gz JGIQLSCZDZPDAQ-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CC1)[C@H]1CCCC[N@@H+]1C 214179108 571728569 /nfs/dbraw/zinc/72/85/69/571728569.db2.gz JGIQLSCZDZPDAQ-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CC1)[C@H]1CCCC[N@H+]1C 214179108 571728571 /nfs/dbraw/zinc/72/85/71/571728571.db2.gz JGIQLSCZDZPDAQ-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CCC1)[C@@H]1CCC[N@@H+]1C 214179520 571728615 /nfs/dbraw/zinc/72/86/15/571728615.db2.gz KEVLVUGDZPJFRS-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CCC1)[C@@H]1CCC[N@H+]1C 214179520 571728618 /nfs/dbraw/zinc/72/86/18/571728618.db2.gz KEVLVUGDZPJFRS-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C1CCC1)[C@@H]1CCCN1C 214179520 571728621 /nfs/dbraw/zinc/72/86/21/571728621.db2.gz KEVLVUGDZPJFRS-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@H](C1CC1)[C@H]1CCCCN(C)C1 214177172 571728832 /nfs/dbraw/zinc/72/88/32/571728832.db2.gz DEYNYMQWERQKAT-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H](C1CC1)[C@@H]1CCCCN1C 214179051 571728913 /nfs/dbraw/zinc/72/89/13/571728913.db2.gz JGIQLSCZDZPDAQ-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CC1)[C@@H]1CCCC[N@@H+]1C 214179051 571728919 /nfs/dbraw/zinc/72/89/19/571728919.db2.gz JGIQLSCZDZPDAQ-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C1CC1)[C@@H]1CCCC[N@H+]1C 214179051 571728921 /nfs/dbraw/zinc/72/89/21/571728921.db2.gz JGIQLSCZDZPDAQ-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CCC1)[C@H]1CCC[N@@H+]1C 214179630 571728942 /nfs/dbraw/zinc/72/89/42/571728942.db2.gz KEVLVUGDZPJFRS-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C1CCC1)[C@H]1CCC[N@H+]1C 214179630 571728944 /nfs/dbraw/zinc/72/89/44/571728944.db2.gz KEVLVUGDZPJFRS-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C1CCC1)[C@H]1CCCN1C 214179630 571728951 /nfs/dbraw/zinc/72/89/51/571728951.db2.gz KEVLVUGDZPJFRS-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1[C@@H](CN)C1CCC1 214177823 571729125 /nfs/dbraw/zinc/72/91/25/571729125.db2.gz ZWRYHJFJLKUWJU-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCCC[C@H]1[C@@H](CN)C1CCC1 214177823 571729126 /nfs/dbraw/zinc/72/91/26/571729126.db2.gz ZWRYHJFJLKUWJU-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCCC[C@H]1[C@@H](C[NH3+])C1CCC1 214177823 571729130 /nfs/dbraw/zinc/72/91/30/571729130.db2.gz ZWRYHJFJLKUWJU-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+][C@@H](C1CC1)[C@H]1CCCCN(C)C1 214177117 571729153 /nfs/dbraw/zinc/72/91/53/571729153.db2.gz DEYNYMQWERQKAT-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CN1CC([C@H](C[NH3+])C2CCCCC2)C1 214183006 571729900 /nfs/dbraw/zinc/72/99/00/571729900.db2.gz HQEKFPBVAACXMN-GFCCVEGCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[NH2+]C[C@@H](C1CCCC1)C1CN(C)C1 214183372 571729971 /nfs/dbraw/zinc/72/99/71/571729971.db2.gz GTXWEAKXSXEFSM-LBPRGKRZSA-N 1 3 196.338 1.574 10 0 ADAEHO CN1CC([C@@H](CC[NH3+])C2CCCC2)C1 214183234 571730483 /nfs/dbraw/zinc/73/04/83/571730483.db2.gz XQXIUHSZZIMNSV-LBPRGKRZSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1CC([C@@H](C[NH3+])C2CCCCC2)C1 214182951 571730699 /nfs/dbraw/zinc/73/06/99/571730699.db2.gz HQEKFPBVAACXMN-LBPRGKRZSA-N 1 3 196.338 1.703 10 0 ADAEHO C[NH2+]C[C@H](C1CCCC1)C1CN(C)C1 214183435 571731377 /nfs/dbraw/zinc/73/13/77/571731377.db2.gz GTXWEAKXSXEFSM-GFCCVEGCSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC([NH3+])(CC)COCCN(C)C 70877261 571731990 /nfs/dbraw/zinc/73/19/90/571731990.db2.gz OYYINBHOFDSILK-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO C[N@H+](CCC1(N)CC1)CC1CC1 398144344 571732138 /nfs/dbraw/zinc/73/21/38/571732138.db2.gz KTCOHIBPFVGXDZ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@@H+](CCC1(N)CC1)CC1CC1 398144344 571732142 /nfs/dbraw/zinc/73/21/42/571732142.db2.gz KTCOHIBPFVGXDZ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CN(CCC1([NH3+])CC1)CC1CC1 398144344 571732144 /nfs/dbraw/zinc/73/21/44/571732144.db2.gz KTCOHIBPFVGXDZ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN(C)Cc1ccc(F)cc1C[NH3+] 70849212 571734090 /nfs/dbraw/zinc/73/40/90/571734090.db2.gz NSYYGBWBFSSYHQ-UHFFFAOYSA-N 1 3 196.269 1.736 10 0 ADAEHO C[C@@H]1SCC[C@@H]1N(C)CCC[NH3+] 235297563 571734366 /nfs/dbraw/zinc/73/43/66/571734366.db2.gz QJOBHZYLBIBIGB-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1SCC[C@@H]1[N@H+](C)CCCN 235297563 571734369 /nfs/dbraw/zinc/73/43/69/571734369.db2.gz QJOBHZYLBIBIGB-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1SCC[C@@H]1[N@@H+](C)CCCN 235297563 571734371 /nfs/dbraw/zinc/73/43/71/571734371.db2.gz QJOBHZYLBIBIGB-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1C[C@H]1C[NH2+]CCC1(N)CC1 398159874 571735473 /nfs/dbraw/zinc/73/54/73/571735473.db2.gz QGFLBIWZOFBXLU-BDAKNGLRSA-N 1 3 168.284 1.113 10 0 ADAEHO CC(C)c1[nH]c2c(c1C[NH3+])CNC2 214223045 571736202 /nfs/dbraw/zinc/73/62/02/571736202.db2.gz GYCYFCRNODCVAO-UHFFFAOYSA-N 1 3 179.267 1.200 10 0 ADAEHO C[NH2+][C@H](C(C)C)[C@H]1CCCCN(C)C1 214264616 571737950 /nfs/dbraw/zinc/73/79/50/571737950.db2.gz FCVZFJCHJBZEGC-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@@H](C(C)C)[C@@H]1CCCCN(C)C1 214264443 571738163 /nfs/dbraw/zinc/73/81/63/571738163.db2.gz FCVZFJCHJBZEGC-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@@H](C(C)C)[C@H]1CCCCN(C)C1 214264555 571738266 /nfs/dbraw/zinc/73/82/66/571738266.db2.gz FCVZFJCHJBZEGC-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C(C)C)[C@@H]1CCCCN(C)C1 214264500 571738413 /nfs/dbraw/zinc/73/84/13/571738413.db2.gz FCVZFJCHJBZEGC-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[NH2+]CCC1(N)CC1 398182406 571739497 /nfs/dbraw/zinc/73/94/97/571739497.db2.gz XUVBFEHLIQBPTB-UHFFFAOYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[N@@H+]1CCCC[C@@H]1C[C@H](C)N 250067864 571740017 /nfs/dbraw/zinc/74/00/17/571740017.db2.gz YNOPRAFFMPRCLT-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+]1CCCC[C@@H]1C[C@H](C)N 250067864 571740020 /nfs/dbraw/zinc/74/00/20/571740020.db2.gz YNOPRAFFMPRCLT-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H]1CCCCN1C 214266148 571741026 /nfs/dbraw/zinc/74/10/26/571741026.db2.gz IBOFBHZCSPQJLF-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]1CCCC[N@@H+]1C 214266148 571741027 /nfs/dbraw/zinc/74/10/27/571741027.db2.gz IBOFBHZCSPQJLF-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]1CCCC[N@H+]1C 214266148 571741029 /nfs/dbraw/zinc/74/10/29/571741029.db2.gz IBOFBHZCSPQJLF-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H]1CCCCN1C 214266040 571741426 /nfs/dbraw/zinc/74/14/26/571741426.db2.gz IBOFBHZCSPQJLF-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]1CCCC[N@@H+]1C 214266040 571741427 /nfs/dbraw/zinc/74/14/27/571741427.db2.gz IBOFBHZCSPQJLF-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]1CCCC[N@H+]1C 214266040 571741428 /nfs/dbraw/zinc/74/14/28/571741428.db2.gz IBOFBHZCSPQJLF-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@H]1CCCCN1C 214266091 571742433 /nfs/dbraw/zinc/74/24/33/571742433.db2.gz IBOFBHZCSPQJLF-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]1CCCC[N@@H+]1C 214266091 571742434 /nfs/dbraw/zinc/74/24/34/571742434.db2.gz IBOFBHZCSPQJLF-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]1CCCC[N@H+]1C 214266091 571742437 /nfs/dbraw/zinc/74/24/37/571742437.db2.gz IBOFBHZCSPQJLF-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H]1CCCCN1C 214265986 571742900 /nfs/dbraw/zinc/74/29/00/571742900.db2.gz IBOFBHZCSPQJLF-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]1CCCC[N@@H+]1C 214265986 571742903 /nfs/dbraw/zinc/74/29/03/571742903.db2.gz IBOFBHZCSPQJLF-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]1CCCC[N@H+]1C 214265986 571742908 /nfs/dbraw/zinc/74/29/08/571742908.db2.gz IBOFBHZCSPQJLF-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N(CC1CC1)C1CC1 70736620 571745001 /nfs/dbraw/zinc/74/50/01/571745001.db2.gz GRRSLZCABHIARG-QMMMGPOBSA-N 1 3 195.310 1.575 10 0 ADAEHO C[C@@H](CN(CC1CC1)C1CC1)C(N)=[NH2+] 70736613 571743989 /nfs/dbraw/zinc/74/39/89/571743989.db2.gz WSLKBBADRTWYTP-QMMMGPOBSA-N 1 3 195.310 1.433 10 0 ADAEHO [NH3+][C@@H]1CCNC[C@@H]1CC1CCCC1 214316842 571748176 /nfs/dbraw/zinc/74/81/76/571748176.db2.gz HWBXPXJOSZKPPL-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@@H]1CC[NH2+]C[C@@H]1CC1CCCC1 214316842 571748178 /nfs/dbraw/zinc/74/81/78/571748178.db2.gz HWBXPXJOSZKPPL-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@H](CN(CC1CC1)C1CC1)C(N)=[NH2+] 70736614 571745598 /nfs/dbraw/zinc/74/55/98/571745598.db2.gz WSLKBBADRTWYTP-MRVPVSSYSA-N 1 3 195.310 1.433 10 0 ADAEHO C[C@H](CC(N)=[NH2+])N(CC1CC1)C1CC1 70736623 571746269 /nfs/dbraw/zinc/74/62/69/571746269.db2.gz GRRSLZCABHIARG-MRVPVSSYSA-N 1 3 195.310 1.575 10 0 ADAEHO CNC[C@@H](C)C[N@H+](CC1CC1)C1CC1 70736864 571746461 /nfs/dbraw/zinc/74/64/61/571746461.db2.gz WTRKYCRGIZWWFS-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C)C[N@@H+](CC1CC1)C1CC1 70736864 571746463 /nfs/dbraw/zinc/74/64/63/571746463.db2.gz WTRKYCRGIZWWFS-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C)CN(CC1CC1)C1CC1 70736864 571746468 /nfs/dbraw/zinc/74/64/68/571746468.db2.gz WTRKYCRGIZWWFS-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)([NH3+])CNC1(C2(C)CC2)CC1 398210423 571747186 /nfs/dbraw/zinc/74/71/86/571747186.db2.gz GJKQXPVUOFDRET-UHFFFAOYSA-N 1 3 182.311 1.646 10 0 ADAEHO [NH3+][C@@H]1CNCC[C@H]1CC1CCCC1 214316555 571747748 /nfs/dbraw/zinc/74/77/48/571747748.db2.gz ZDHHKDDIGCOCIN-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@H]1CC[NH2+]CC[C@@H]1C1CCCC1 214315090 571747873 /nfs/dbraw/zinc/74/78/73/571747873.db2.gz GSGFPOUKQFAMKQ-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@H]1CCNCC[C@@H]1C1CCCC1 214315090 571747878 /nfs/dbraw/zinc/74/78/78/571747878.db2.gz GSGFPOUKQFAMKQ-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@H]1CCNC[C@H]1CC1CCCC1 214316676 571748347 /nfs/dbraw/zinc/74/83/47/571748347.db2.gz HWBXPXJOSZKPPL-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@H]1CC[NH2+]C[C@H]1CC1CCCC1 214316676 571748350 /nfs/dbraw/zinc/74/83/50/571748350.db2.gz HWBXPXJOSZKPPL-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@H]1CC[NH2+]CC[C@H]1C1CCCC1 214315035 571748543 /nfs/dbraw/zinc/74/85/43/571748543.db2.gz GSGFPOUKQFAMKQ-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@H]1CCNCC[C@H]1C1CCCC1 214315035 571748546 /nfs/dbraw/zinc/74/85/46/571748546.db2.gz GSGFPOUKQFAMKQ-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO CN1CC[C@@H](C2CCC2)[C@H]([NH3+])CC1 214315352 571748905 /nfs/dbraw/zinc/74/89/05/571748905.db2.gz JNLVEXQDHPXBHS-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO N[C@@H]1CC[NH2+]CC[C@H]1C1CCCC1 214315141 571748755 /nfs/dbraw/zinc/74/87/55/571748755.db2.gz GSGFPOUKQFAMKQ-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@@H]1CCNCC[C@H]1C1CCCC1 214315141 571748757 /nfs/dbraw/zinc/74/87/57/571748757.db2.gz GSGFPOUKQFAMKQ-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@H]1CNCC[C@@H]1CC1CCCC1 214316498 571748957 /nfs/dbraw/zinc/74/89/57/571748957.db2.gz ZDHHKDDIGCOCIN-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@@H]1CC[NH2+]CC[C@@H]1C1CCCC1 214315205 571749157 /nfs/dbraw/zinc/74/91/57/571749157.db2.gz GSGFPOUKQFAMKQ-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@@H]1CCNCC[C@@H]1C1CCCC1 214315205 571749161 /nfs/dbraw/zinc/74/91/61/571749161.db2.gz GSGFPOUKQFAMKQ-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@H]1CCNC[C@@H]1CC1CCCC1 214316733 571749191 /nfs/dbraw/zinc/74/91/91/571749191.db2.gz HWBXPXJOSZKPPL-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@H]1CC[NH2+]C[C@@H]1CC1CCCC1 214316733 571749194 /nfs/dbraw/zinc/74/91/94/571749194.db2.gz HWBXPXJOSZKPPL-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO C[N@H+](CCC1(N)CC1)C1CCCC1 214316355 571749339 /nfs/dbraw/zinc/74/93/39/571749339.db2.gz KNWDMMRCRAWWLR-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@@H+](CCC1(N)CC1)C1CCCC1 214316355 571749340 /nfs/dbraw/zinc/74/93/40/571749340.db2.gz KNWDMMRCRAWWLR-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CN(CCC1([NH3+])CC1)C1CCCC1 214316355 571749341 /nfs/dbraw/zinc/74/93/41/571749341.db2.gz KNWDMMRCRAWWLR-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](C2CCC2)CC1 214315290 571749424 /nfs/dbraw/zinc/74/94/24/571749424.db2.gz JNLVEXQDHPXBHS-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO [NH3+][C@@H]1CCNC[C@H]1CC1CCCC1 214316788 571749554 /nfs/dbraw/zinc/74/95/54/571749554.db2.gz HWBXPXJOSZKPPL-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@@H]1CC[NH2+]C[C@H]1CC1CCCC1 214316788 571749559 /nfs/dbraw/zinc/74/95/59/571749559.db2.gz HWBXPXJOSZKPPL-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+][C@@H]1CNCC[C@@H]1CC1CCCC1 214316607 571749610 /nfs/dbraw/zinc/74/96/10/571749610.db2.gz ZDHHKDDIGCOCIN-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H](C(C)(C)C)CC1 214391341 571750452 /nfs/dbraw/zinc/75/04/52/571750452.db2.gz PWNCHDANUKPFLI-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](C[NH2+]C1(C2(C)CC2)CC1)[C@@H](C)N 398216857 571750577 /nfs/dbraw/zinc/75/05/77/571750577.db2.gz LOUOSQFAXSBAOT-VHSXEESVSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H](CNC1(C2(C)CC2)CC1)[C@@H](C)[NH3+] 398216857 571750580 /nfs/dbraw/zinc/75/05/80/571750580.db2.gz LOUOSQFAXSBAOT-VHSXEESVSA-N 1 3 196.338 1.892 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@H](C(C)(C)C)CC1 214391282 571750752 /nfs/dbraw/zinc/75/07/52/571750752.db2.gz PWNCHDANUKPFLI-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H]1CCN(C)CC[C@@H]1[NH3+] 214391492 571752390 /nfs/dbraw/zinc/75/23/90/571752390.db2.gz IESPJRXWHYPHMX-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](N)C[N@@H+]1CCC2(CC2)C1 400004903 571754548 /nfs/dbraw/zinc/75/45/48/571754548.db2.gz QNTBYDDOPPGFSV-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[C@H](N)C[N@H+]1CCC2(CC2)C1 400004903 571754550 /nfs/dbraw/zinc/75/45/50/571754550.db2.gz QNTBYDDOPPGFSV-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 687895783 571754603 /nfs/dbraw/zinc/75/46/03/571754603.db2.gz SONTWKCFSROKEB-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@H]2CCCCC[C@@H]21 687895783 571754605 /nfs/dbraw/zinc/75/46/05/571754605.db2.gz SONTWKCFSROKEB-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[C@@H](N)C[N@@H+]1CCC2(CC2)C1 400004905 571755047 /nfs/dbraw/zinc/75/50/47/571755047.db2.gz QNTBYDDOPPGFSV-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]21 712409423 571754055 /nfs/dbraw/zinc/75/40/55/571754055.db2.gz OLDMJAIYNQNLDO-HBNTYKKESA-N 1 3 182.311 1.504 10 0 ADAEHO CCC[C@@H](N)C[N@H+]1CCC2(CC2)C1 400004905 571755049 /nfs/dbraw/zinc/75/50/49/571755049.db2.gz QNTBYDDOPPGFSV-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 687895773 571754821 /nfs/dbraw/zinc/75/48/21/571754821.db2.gz SONTWKCFSROKEB-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@@H]2CCCCC[C@H]21 687895773 571754823 /nfs/dbraw/zinc/75/48/23/571754823.db2.gz SONTWKCFSROKEB-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@H]2CCCCC[C@H]21 687895775 571754942 /nfs/dbraw/zinc/75/49/42/571754942.db2.gz SONTWKCFSROKEB-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@H]2CCCCC[C@H]21 687895775 571754946 /nfs/dbraw/zinc/75/49/46/571754946.db2.gz SONTWKCFSROKEB-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](C[NH2+][C@H](C)CCN)C1CC1 220544069 571755101 /nfs/dbraw/zinc/75/51/01/571755101.db2.gz UVCQAYMQOVDAGN-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO NCCC[NH2+][C@@H]1C[C@H]2CCCC[C@@H]21 712409424 571755903 /nfs/dbraw/zinc/75/59/03/571755903.db2.gz OLDMJAIYNQNLDO-OUAUKWLOSA-N 1 3 182.311 1.504 10 0 ADAEHO CC1=C[C@@H](C)C[C@H](C[NH2+]CCCN)C1 235701020 571756113 /nfs/dbraw/zinc/75/61/13/571756113.db2.gz NDOWRLXFPXGPAG-PWSUYJOCSA-N 1 3 196.338 1.917 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687895785 571756149 /nfs/dbraw/zinc/75/61/49/571756149.db2.gz SONTWKCFSROKEB-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687895785 571756151 /nfs/dbraw/zinc/75/61/51/571756151.db2.gz SONTWKCFSROKEB-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(C)[C@@H]([NH3+])C(C)(C)CN 17425309 571761639 /nfs/dbraw/zinc/76/16/39/571761639.db2.gz ZZMGYPFTCYHFTN-SSDOTTSWSA-N 1 3 158.289 1.345 10 0 ADAEHO CC(C)(C)[C@@H](N)C(C)(C)C[NH3+] 17425309 571761641 /nfs/dbraw/zinc/76/16/41/571761641.db2.gz ZZMGYPFTCYHFTN-SSDOTTSWSA-N 1 3 158.289 1.345 10 0 ADAEHO C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H](CN)C2)C1 37255890 571761719 /nfs/dbraw/zinc/76/17/19/571761719.db2.gz RGKVTYGIBCYLOJ-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@H](CN)C2)C1 37255890 571761722 /nfs/dbraw/zinc/76/17/22/571761722.db2.gz RGKVTYGIBCYLOJ-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)([NH3+])C[C@H](N)C(C)(C)C 17403281 571761777 /nfs/dbraw/zinc/76/17/77/571761777.db2.gz GQPOJZYJPFQVHD-ZETCQYMHSA-N 1 3 158.289 1.487 10 0 ADAEHO CC(C)(C)[C@H]([NH3+])C(C)(C)CN 17425312 571762009 /nfs/dbraw/zinc/76/20/09/571762009.db2.gz ZZMGYPFTCYHFTN-ZETCQYMHSA-N 1 3 158.289 1.345 10 0 ADAEHO CC(C)(C)[C@H](N)C(C)(C)C[NH3+] 17425312 571762016 /nfs/dbraw/zinc/76/20/16/571762016.db2.gz ZZMGYPFTCYHFTN-ZETCQYMHSA-N 1 3 158.289 1.345 10 0 ADAEHO CC(C)(C)[NH2+]C(C)(C)CCN 17402391 571762558 /nfs/dbraw/zinc/76/25/58/571762558.db2.gz RCTRJSFQDJYRTQ-UHFFFAOYSA-N 1 3 158.289 1.502 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]21 712465490 571762811 /nfs/dbraw/zinc/76/28/11/571762811.db2.gz XQGRHCUQCQPKMX-WRWGMCAJSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)([NH3+])C[C@@H](N)C(C)(C)C 17403282 571762940 /nfs/dbraw/zinc/76/29/40/571762940.db2.gz GQPOJZYJPFQVHD-SSDOTTSWSA-N 1 3 158.289 1.487 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)C1 70832134 571763129 /nfs/dbraw/zinc/76/31/29/571763129.db2.gz RKHIHJJXTVFPDZ-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70832134 571763132 /nfs/dbraw/zinc/76/31/32/571763132.db2.gz RKHIHJJXTVFPDZ-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](CN)C2)C1 37255886 571763194 /nfs/dbraw/zinc/76/31/94/571763194.db2.gz RGKVTYGIBCYLOJ-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@H](CN)C2)C1 37255886 571763198 /nfs/dbraw/zinc/76/31/98/571763198.db2.gz RGKVTYGIBCYLOJ-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[C@@H](C)N1CC[C@H]([NH3+])C1 37264984 571763661 /nfs/dbraw/zinc/76/36/61/571763661.db2.gz WOUQKDZATYWTMJ-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@@H+](CCCN)C(C)(C)C 18682611 571772660 /nfs/dbraw/zinc/77/26/60/571772660.db2.gz VUFRPPSLMXCNSB-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@@H](N(C)C)C(C)(C)C[NH3+] 17563442 571763833 /nfs/dbraw/zinc/76/38/33/571763833.db2.gz WCEBWFHZVUVWMH-MRVPVSSYSA-N 1 3 158.289 1.312 10 0 ADAEHO [NH3+]C[C@]1(NC2CC2)C[C@@H]2CCCC[C@@H]21 712450151 571763896 /nfs/dbraw/zinc/76/38/96/571763896.db2.gz FFSRSYTVHSLOOG-ZMLRMANQSA-N 1 3 194.322 1.646 10 0 ADAEHO CC(C)C[C@H](C)N1CC[C@H]([NH3+])C1 37264985 571763974 /nfs/dbraw/zinc/76/39/74/571763974.db2.gz WOUQKDZATYWTMJ-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@H]([NH3+])C(C)(C)CN 17699392 571765144 /nfs/dbraw/zinc/76/51/44/571765144.db2.gz IEOFYOKIAXFAQE-QMMMGPOBSA-N 1 3 158.289 1.345 10 0 ADAEHO CC(C)C[C@@H]([NH3+])C(C)(C)CN 17699390 571765620 /nfs/dbraw/zinc/76/56/20/571765620.db2.gz IEOFYOKIAXFAQE-MRVPVSSYSA-N 1 3 158.289 1.345 10 0 ADAEHO CC[C@H](N(C)C)C(C)(C)C[NH3+] 17563444 571765637 /nfs/dbraw/zinc/76/56/37/571765637.db2.gz WCEBWFHZVUVWMH-QMMMGPOBSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@@H](N)CC[NH2+]C1(C2(C)CC2)CC1 398267494 571765682 /nfs/dbraw/zinc/76/56/82/571765682.db2.gz RONVOTTUFAEJIR-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]([NH3+])CCNC1(C2(C)CC2)CC1 398267494 571765688 /nfs/dbraw/zinc/76/56/88/571765688.db2.gz RONVOTTUFAEJIR-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@](N)(C[NH3+])CCc1ccccc1 38644392 571767832 /nfs/dbraw/zinc/76/78/32/571767832.db2.gz RAILGWPQGRMTQY-NSHDSACASA-N 1 3 178.279 1.295 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1CNCC1(C)CC1 235324385 571767868 /nfs/dbraw/zinc/76/78/68/571767868.db2.gz IAOSEJQPUSQPMR-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO CN(C)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 26443039 571767894 /nfs/dbraw/zinc/76/78/94/571767894.db2.gz OCXYFSMUGVWGMT-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1CNCCC1CC1 235324655 571768587 /nfs/dbraw/zinc/76/85/87/571768587.db2.gz FAFYGRXMSUSXFV-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCC[C@H](C)CNCC[NH2+]C 301002816 571769922 /nfs/dbraw/zinc/76/99/22/571769922.db2.gz YHSNSOHPSKKRHZ-JTQLQIEISA-N 1 3 172.316 1.622 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1CNCC1CC1 235324559 571770420 /nfs/dbraw/zinc/77/04/20/571770420.db2.gz IXLGEILHWCNPBA-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]([NH2+]CCC1(N)CCC1)C1CC1 397996845 571770432 /nfs/dbraw/zinc/77/04/32/571770432.db2.gz LBIFMTIYWUDIGG-VIFPVBQESA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]([NH2+]CCC1(N)CCC1)C1CC1 397996844 571770516 /nfs/dbraw/zinc/77/05/16/571770516.db2.gz LBIFMTIYWUDIGG-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO CCCC[C@@H](C)CNCC[NH2+]C 301002820 571770610 /nfs/dbraw/zinc/77/06/10/571770610.db2.gz YHSNSOHPSKKRHZ-SNVBAGLBSA-N 1 3 172.316 1.622 10 0 ADAEHO CCC1([NH2+]CC[C@@H](C)N)CCC1 229505494 571770697 /nfs/dbraw/zinc/77/06/97/571770697.db2.gz PNRXGTOTWNKLAW-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO CNCC[C@@H]([NH2+]C)C(C)(C)C 18681146 571771798 /nfs/dbraw/zinc/77/17/98/571771798.db2.gz BSGUZSBWGUCFBD-MRVPVSSYSA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@@H]1CCCC[C@H]1CN1CC(C[NH3+])C1 712503202 571771987 /nfs/dbraw/zinc/77/19/87/571771987.db2.gz HFWLDXOIKZNGNW-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CCCC[C@H]1C[NH+]1CC(CN)C1 712503202 571771992 /nfs/dbraw/zinc/77/19/92/571771992.db2.gz HFWLDXOIKZNGNW-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO [NH3+]CC1CN([C@@H]2CCCC23CCC3)C1 712503162 571772300 /nfs/dbraw/zinc/77/23/00/571772300.db2.gz GOSSBPPZQLDVQE-LLVKDONJSA-N 1 3 194.322 1.600 10 0 ADAEHO CNCC[C@H]([NH2+]C)C(C)(C)C 18681148 571772343 /nfs/dbraw/zinc/77/23/43/571772343.db2.gz BSGUZSBWGUCFBD-QMMMGPOBSA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1CN1CC(C[NH3+])C1 712503204 571772484 /nfs/dbraw/zinc/77/24/84/571772484.db2.gz HFWLDXOIKZNGNW-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1C[NH+]1CC(CN)C1 712503204 571772486 /nfs/dbraw/zinc/77/24/86/571772486.db2.gz HFWLDXOIKZNGNW-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO [NH3+]CC1CN([C@H]2CCCC23CCC3)C1 712503163 571772581 /nfs/dbraw/zinc/77/25/81/571772581.db2.gz GOSSBPPZQLDVQE-NSHDSACASA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@H]1CCCC[C@@H]1CN1CC(C[NH3+])C1 712503199 571772590 /nfs/dbraw/zinc/77/25/90/571772590.db2.gz HFWLDXOIKZNGNW-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1CCCC[C@@H]1C[NH+]1CC(CN)C1 712503199 571772593 /nfs/dbraw/zinc/77/25/93/571772593.db2.gz HFWLDXOIKZNGNW-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1CCCC[C@H]1CN1CC(C[NH3+])C1 712503201 571772607 /nfs/dbraw/zinc/77/26/07/571772607.db2.gz HFWLDXOIKZNGNW-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1CCCC[C@H]1C[NH+]1CC(CN)C1 712503201 571772609 /nfs/dbraw/zinc/77/26/09/571772609.db2.gz HFWLDXOIKZNGNW-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[N@H+](CCCN)C(C)(C)C 18682611 571772657 /nfs/dbraw/zinc/77/26/57/571772657.db2.gz VUFRPPSLMXCNSB-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](CNCC2(C)CC2)C1 235327382 571772716 /nfs/dbraw/zinc/77/27/16/571772716.db2.gz JAJHOANUVYOVQT-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO Cc1ccc([C@H](CC[NH3+])N(C)C)cc1 19673409 571773568 /nfs/dbraw/zinc/77/35/68/571773568.db2.gz GQBUFBXGJWQZKN-LBPRGKRZSA-N 1 3 192.306 1.947 10 0 ADAEHO C[NH2+][C@@H](C)CNCC1(C(C)C)CC1 234431353 571774462 /nfs/dbraw/zinc/77/44/62/571774462.db2.gz MHJJTLSZWMOCDA-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO CN1CC2C[NH+](C)CC(C1)C2(C)C 26985820 571774506 /nfs/dbraw/zinc/77/45/06/571774506.db2.gz GHUZEDKFRKXQOG-UHFFFAOYSA-N 1 3 182.311 1.136 10 0 ADAEHO [NH3+]CC1CN([C@H]2CCC23CCCC3)C1 712521622 571774551 /nfs/dbraw/zinc/77/45/51/571774551.db2.gz BOJHSSSZOGLNSA-NSHDSACASA-N 1 3 194.322 1.600 10 0 ADAEHO CNCCC[NH2+]CC1(C2CC2)CC1 234352904 571774744 /nfs/dbraw/zinc/77/47/44/571774744.db2.gz CQPNKKSPMPLXGH-UHFFFAOYSA-N 1 3 182.311 1.376 10 0 ADAEHO C[NH2+][C@@H](C)CNCC(C)(C)C(C)C 234431227 571775126 /nfs/dbraw/zinc/77/51/26/571775126.db2.gz UVSJIJMFFGAVMS-JTQLQIEISA-N 1 3 186.343 1.866 10 0 ADAEHO CNCCC[NH2+]CC1(C(C)C)CC1 234352731 571775127 /nfs/dbraw/zinc/77/51/27/571775127.db2.gz UVGNSMCTHCSKGY-UHFFFAOYSA-N 1 3 184.327 1.622 10 0 ADAEHO CNCCC[NH2+]CC(C)(C)C(C)C 234352663 571775256 /nfs/dbraw/zinc/77/52/56/571775256.db2.gz HEUQKJZOPIVIQL-UHFFFAOYSA-N 1 3 186.343 1.868 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[N@@H+]1CC[C@@H](C)N 37401882 571775511 /nfs/dbraw/zinc/77/55/11/571775511.db2.gz IHOHPSYZHSYYHW-MXWKQRLJSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[N@H+]1CC[C@@H](C)N 37401882 571775516 /nfs/dbraw/zinc/77/55/16/571775516.db2.gz IHOHPSYZHSYYHW-MXWKQRLJSA-N 1 3 184.327 1.987 10 0 ADAEHO C[NH2+][C@@H](C)CNCC1(C2CC2)CC1 234431690 571775621 /nfs/dbraw/zinc/77/56/21/571775621.db2.gz WBZCQXNHHDORGE-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO CNCCC[NH2+]C[C@@H]1CC1(C)C 234353565 571781450 /nfs/dbraw/zinc/78/14/50/571781450.db2.gz FRTBVWHJSCHAPW-VIFPVBQESA-N 1 3 170.300 1.232 10 0 ADAEHO Cc1ccc([C@@H](CC[NH3+])N(C)C)cc1 19673411 571775863 /nfs/dbraw/zinc/77/58/63/571775863.db2.gz GQBUFBXGJWQZKN-GFCCVEGCSA-N 1 3 192.306 1.947 10 0 ADAEHO CN(CCC(N)=[NH2+])C1CCCC1 39046729 571776089 /nfs/dbraw/zinc/77/60/89/571776089.db2.gz DHRAHOZTWXHKKH-UHFFFAOYSA-N 1 3 169.272 1.187 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@@H]1CC1(C)C 234432018 571776361 /nfs/dbraw/zinc/77/63/61/571776361.db2.gz UWAIGZNIHCWWGI-IUCAKERBSA-N 1 3 170.300 1.230 10 0 ADAEHO [NH3+]CC1CN([C@@H]2CCC23CCCC3)C1 712521614 571776391 /nfs/dbraw/zinc/77/63/91/571776391.db2.gz BOJHSSSZOGLNSA-LLVKDONJSA-N 1 3 194.322 1.600 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@H]1CC1(C)C 234432191 571776519 /nfs/dbraw/zinc/77/65/19/571776519.db2.gz UWAIGZNIHCWWGI-DTWKUNHWSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[C@@H](N)CC[NH2+]CC1(CC)CC1 233888453 571778103 /nfs/dbraw/zinc/77/81/03/571778103.db2.gz DRXDOTXUVFFYBT-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@H]1CCC[C@H]1C[NH2+]CC1CNC1 710846470 571779016 /nfs/dbraw/zinc/77/90/16/571779016.db2.gz WJLTVXPUSDNLEG-ONGXEEELSA-N 1 3 182.311 1.232 10 0 ADAEHO NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 301008660 571780224 /nfs/dbraw/zinc/78/02/24/571780224.db2.gz XFJYFVJIBXUQQH-MRVPVSSYSA-N 1 3 192.253 1.360 10 0 ADAEHO CNCCC[NH2+]C[C@H]1CC1(C)C 234353763 571780793 /nfs/dbraw/zinc/78/07/93/571780793.db2.gz FRTBVWHJSCHAPW-SECBINFHSA-N 1 3 170.300 1.232 10 0 ADAEHO NCCC[NH2+]C[C@H]1CCC(F)(F)C1 301008662 571780807 /nfs/dbraw/zinc/78/08/07/571780807.db2.gz XFJYFVJIBXUQQH-QMMMGPOBSA-N 1 3 192.253 1.360 10 0 ADAEHO CCN(CCC[NH+](C)C)C1CC1 687721934 571781592 /nfs/dbraw/zinc/78/15/92/571781592.db2.gz QJSORHIMAMYLQK-UHFFFAOYSA-N 1 3 170.300 1.422 10 0 ADAEHO C[C@H]1C[C@@H](n2ccnc2N)CC[N@@H+]1C 235709504 571782350 /nfs/dbraw/zinc/78/23/50/571782350.db2.gz VQPHODWFQRBJJK-IUCAKERBSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@H]1C[C@@H](n2ccnc2N)CC[N@H+]1C 235709504 571782352 /nfs/dbraw/zinc/78/23/52/571782352.db2.gz VQPHODWFQRBJJK-IUCAKERBSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@H]1C[C@@H](n2cc[nH+]c2N)CCN1C 235709504 571782353 /nfs/dbraw/zinc/78/23/53/571782353.db2.gz VQPHODWFQRBJJK-IUCAKERBSA-N 1 3 194.282 1.121 10 0 ADAEHO C[N@@H+]1CC[C@H](CNc2ccncc2)C1 37485197 571783154 /nfs/dbraw/zinc/78/31/54/571783154.db2.gz SQBYJRAVOKUISA-SNVBAGLBSA-N 1 3 191.278 1.445 10 0 ADAEHO C[N@H+]1CC[C@H](CNc2ccncc2)C1 37485197 571783157 /nfs/dbraw/zinc/78/31/57/571783157.db2.gz SQBYJRAVOKUISA-SNVBAGLBSA-N 1 3 191.278 1.445 10 0 ADAEHO C[N@@H+]1CC[C@@H](CNc2ccncc2)C1 37485198 571783846 /nfs/dbraw/zinc/78/38/46/571783846.db2.gz SQBYJRAVOKUISA-JTQLQIEISA-N 1 3 191.278 1.445 10 0 ADAEHO C[N@H+]1CC[C@@H](CNc2ccncc2)C1 37485198 571783848 /nfs/dbraw/zinc/78/38/48/571783848.db2.gz SQBYJRAVOKUISA-JTQLQIEISA-N 1 3 191.278 1.445 10 0 ADAEHO C[NH2+][C@]1(C)C[C@@H](N)CC(C)(C)C1 140154893 571786001 /nfs/dbraw/zinc/78/60/01/571786001.db2.gz TWZMTALKFOGSFB-WCBMZHEXSA-N 1 3 170.300 1.502 10 0 ADAEHO C[NH2+][C@@]1(C)C[C@@H](N)CC(C)(C)C1 140155191 571786177 /nfs/dbraw/zinc/78/61/77/571786177.db2.gz TWZMTALKFOGSFB-WPRPVWTQSA-N 1 3 170.300 1.502 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+]1CCC2(CC2)C1 400304005 571789724 /nfs/dbraw/zinc/78/97/24/571789724.db2.gz WEKPJEUBXUBYAC-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+]1CCC2(CC2)C1 400304005 571789728 /nfs/dbraw/zinc/78/97/28/571789728.db2.gz WEKPJEUBXUBYAC-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H](C)N1CCC2(CC2)C1 400304005 571789729 /nfs/dbraw/zinc/78/97/29/571789729.db2.gz WEKPJEUBXUBYAC-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCC2(CC2)C1 400304009 571789782 /nfs/dbraw/zinc/78/97/82/571789782.db2.gz WEKPJEUBXUBYAC-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCC2(CC2)C1 400304009 571789786 /nfs/dbraw/zinc/78/97/86/571789786.db2.gz WEKPJEUBXUBYAC-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H](C)N1CCC2(CC2)C1 400304009 571789788 /nfs/dbraw/zinc/78/97/88/571789788.db2.gz WEKPJEUBXUBYAC-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C)NC[C@@H]1CC1(C)C 234362759 571789882 /nfs/dbraw/zinc/78/98/82/571789882.db2.gz MQEFGOOOLGBWGE-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+]C[C@@H](C)NC[C@H]1CC1(C)C 234362942 571790802 /nfs/dbraw/zinc/79/08/02/571790802.db2.gz MQEFGOOOLGBWGE-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CC[C@@H](C2CC2)C1 400308671 571790954 /nfs/dbraw/zinc/79/09/54/571790954.db2.gz ZHCWBKFAMAZNDM-GXSJLCMTSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CC[C@@H](C2CC2)C1 400308671 571790959 /nfs/dbraw/zinc/79/09/59/571790959.db2.gz ZHCWBKFAMAZNDM-GXSJLCMTSA-N 1 3 182.311 1.313 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCC[C@H]1CN 249995375 571791332 /nfs/dbraw/zinc/79/13/32/571791332.db2.gz NUFFWTIKTRCKCF-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCC[C@H]1CN 249995375 571791335 /nfs/dbraw/zinc/79/13/35/571791335.db2.gz NUFFWTIKTRCKCF-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCC[C@H]1CN 249995371 571791472 /nfs/dbraw/zinc/79/14/72/571791472.db2.gz NUFFWTIKTRCKCF-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCC[C@H]1CN 249995371 571791476 /nfs/dbraw/zinc/79/14/76/571791476.db2.gz NUFFWTIKTRCKCF-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+]CCCN(C)C1CC(C)C1 234365265 571791786 /nfs/dbraw/zinc/79/17/86/571791786.db2.gz HQWVMRAEXGKFMM-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@H+](C)C1CC(C)C1 234365265 571791789 /nfs/dbraw/zinc/79/17/89/571791789.db2.gz HQWVMRAEXGKFMM-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@@H+](C)C1CC(C)C1 234365265 571791790 /nfs/dbraw/zinc/79/17/90/571791790.db2.gz HQWVMRAEXGKFMM-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+][C@H]1CCN(CC2CC2)C[C@H]1C 250658560 571792436 /nfs/dbraw/zinc/79/24/36/571792436.db2.gz QEIWEEWYJFUZHL-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CN(C)C 250661961 571792529 /nfs/dbraw/zinc/79/25/29/571792529.db2.gz QSGAVBRRWNFTHU-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@@H+]1C[C@@H](CN)CC[C@H]1C 249881414 571795346 /nfs/dbraw/zinc/79/53/46/571795346.db2.gz NTDRMBKTRZBEPI-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+]CCCN(C)C1CC(C(C)C)C1 234365251 571792629 /nfs/dbraw/zinc/79/26/29/571792629.db2.gz MPGRKKSZGXEXJI-UHFFFAOYSA-N 1 3 198.354 1.962 10 0 ADAEHO CNCCC[N@H+](C)C1CC(C(C)C)C1 234365251 571792631 /nfs/dbraw/zinc/79/26/31/571792631.db2.gz MPGRKKSZGXEXJI-UHFFFAOYSA-N 1 3 198.354 1.962 10 0 ADAEHO CNCCC[N@@H+](C)C1CC(C(C)C)C1 234365251 571792632 /nfs/dbraw/zinc/79/26/32/571792632.db2.gz MPGRKKSZGXEXJI-UHFFFAOYSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@H+]1C[C@@H](CN)CC[C@H]1C 249881414 571795347 /nfs/dbraw/zinc/79/53/47/571795347.db2.gz NTDRMBKTRZBEPI-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]CC)C[C@H]1C 242728128 571793024 /nfs/dbraw/zinc/79/30/24/571793024.db2.gz YUOAGHMPGPSCHW-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+](C)C[C@H]1CCC[C@H]1N 249816489 571793163 /nfs/dbraw/zinc/79/31/63/571793163.db2.gz RYLYIYLBYUUEOK-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@@H+](C)C[C@H]1CCC[C@H]1N 249816489 571793165 /nfs/dbraw/zinc/79/31/65/571793165.db2.gz RYLYIYLBYUUEOK-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCN(C)C[C@H]1CCC[C@H]1[NH3+] 249816489 571793166 /nfs/dbraw/zinc/79/31/66/571793166.db2.gz RYLYIYLBYUUEOK-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C[C@H]1CCCC[C@H]1[NH3+])C1CC1 249798399 571793222 /nfs/dbraw/zinc/79/32/22/571793222.db2.gz BKNONKGSFDNOBF-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCC[N@@H+]1C[C@H](CN)CC[C@H]1C 249881417 571793384 /nfs/dbraw/zinc/79/33/84/571793384.db2.gz NTDRMBKTRZBEPI-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+]1C[C@H](CN)CC[C@H]1C 249881417 571793387 /nfs/dbraw/zinc/79/33/87/571793387.db2.gz NTDRMBKTRZBEPI-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCN([C@H]2C[C@H]2C)C1 249673971 571793514 /nfs/dbraw/zinc/79/35/14/571793514.db2.gz COAWSOAXQQXVOX-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(C[C@@H]1CCCC[C@H]1[NH3+])C1CC1 249798396 571793624 /nfs/dbraw/zinc/79/36/24/571793624.db2.gz BKNONKGSFDNOBF-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CCN(C)C[C@@H]1CCC[C@H]1[NH2+]C 249905036 571793695 /nfs/dbraw/zinc/79/36/95/571793695.db2.gz HDMGJJCUNIITFP-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCN([C@H]2C[C@@H]2C)C1 249673969 571793775 /nfs/dbraw/zinc/79/37/75/571793775.db2.gz COAWSOAXQQXVOX-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CC(C)(C)N1CCC[NH+](C)C 687801314 571793991 /nfs/dbraw/zinc/79/39/91/571793991.db2.gz GJYKEFXAAFJKNW-JTQLQIEISA-N 1 3 184.327 1.811 10 0 ADAEHO CCC(CC)[NH2+]CCCN 37713213 571794203 /nfs/dbraw/zinc/79/42/03/571794203.db2.gz FFZJNUPJGAZQKN-UHFFFAOYSA-N 1 3 144.262 1.113 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCN([C@@H]2C[C@H]2C)C1 249673967 571794293 /nfs/dbraw/zinc/79/42/93/571794293.db2.gz COAWSOAXQQXVOX-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC2CC2)C[C@H]1C 250658563 571794302 /nfs/dbraw/zinc/79/43/02/571794302.db2.gz QEIWEEWYJFUZHL-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)[C@H](C)N1CCC([NH3+])CC1 37745370 571800028 /nfs/dbraw/zinc/80/00/28/571800028.db2.gz KJDDGPGJQASIJX-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCN1CC[C@H]([NH2+]CC)C[C@H]1C 242728129 571794846 /nfs/dbraw/zinc/79/48/46/571794846.db2.gz YUOAGHMPGPSCHW-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@H+]([C@H](C)COC)[C@H](C)[C@H](C)N 249906908 571794915 /nfs/dbraw/zinc/79/49/15/571794915.db2.gz HQCGVFGMYXSWCE-KXUCPTDWSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@@H+]([C@H](C)COC)[C@H](C)[C@H](C)N 249906908 571794917 /nfs/dbraw/zinc/79/49/17/571794917.db2.gz HQCGVFGMYXSWCE-KXUCPTDWSA-N 1 3 188.315 1.079 10 0 ADAEHO CCCC[N@H+](C)C[C@@H]1CCC[C@H]1N 249816492 571795123 /nfs/dbraw/zinc/79/51/23/571795123.db2.gz RYLYIYLBYUUEOK-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H]1CCC[C@H]1N 249816492 571795125 /nfs/dbraw/zinc/79/51/25/571795125.db2.gz RYLYIYLBYUUEOK-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCN(C)C[C@@H]1CCC[C@H]1[NH3+] 249816492 571795128 /nfs/dbraw/zinc/79/51/28/571795128.db2.gz RYLYIYLBYUUEOK-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCN1CC[C@H]([NH2+]C)C[C@H]1C 242750335 571795168 /nfs/dbraw/zinc/79/51/68/571795168.db2.gz ZMBUMMBAJXXVJW-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](NC)C[C@H]1C 242750335 571795173 /nfs/dbraw/zinc/79/51/73/571795173.db2.gz ZMBUMMBAJXXVJW-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+]1CC[C@H](NC)C[C@H]1C 242750335 571795175 /nfs/dbraw/zinc/79/51/75/571795175.db2.gz ZMBUMMBAJXXVJW-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)C[C@H]1C 242648375 571795355 /nfs/dbraw/zinc/79/53/55/571795355.db2.gz QUWHIUQMALKIPS-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+]1CC[C@H](NC)C[C@H]1C 242648375 571795359 /nfs/dbraw/zinc/79/53/59/571795359.db2.gz QUWHIUQMALKIPS-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+]1CC[C@H](NC)C[C@H]1C 242648375 571795363 /nfs/dbraw/zinc/79/53/63/571795363.db2.gz QUWHIUQMALKIPS-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@H+]([C@H](C)CCN)[C@H](C)COC 249884519 571795514 /nfs/dbraw/zinc/79/55/14/571795514.db2.gz BRJMZWZBXHBRST-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@@H+]([C@H](C)CCN)[C@H](C)COC 249884519 571795517 /nfs/dbraw/zinc/79/55/17/571795517.db2.gz BRJMZWZBXHBRST-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN([C@H](C)CC[NH3+])[C@H](C)COC 249884519 571795521 /nfs/dbraw/zinc/79/55/21/571795521.db2.gz BRJMZWZBXHBRST-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN(C[C@@H]1CCC[C@H]1[NH2+]C)C1CC1 249848075 571795755 /nfs/dbraw/zinc/79/57/55/571795755.db2.gz WOJFBNKXUGAUBP-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN1CCC[C@@H]([C@H](C)[NH2+]C)C1 249972258 571795836 /nfs/dbraw/zinc/79/58/36/571795836.db2.gz KYPDQSVDGQXBFV-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(C)C[C@H]1CCCC[C@H]1[NH2+]C 249912089 571795853 /nfs/dbraw/zinc/79/58/53/571795853.db2.gz IXZZECDATZMYLM-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CC(C)(C)N1CCC[NH+](C)C 687801315 571795885 /nfs/dbraw/zinc/79/58/85/571795885.db2.gz GJYKEFXAAFJKNW-SNVBAGLBSA-N 1 3 184.327 1.811 10 0 ADAEHO CCN(C)C[C@@H]1CCCC[C@H]1[NH2+]C 249912094 571795938 /nfs/dbraw/zinc/79/59/38/571795938.db2.gz IXZZECDATZMYLM-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+]([C@@H](C)[C@H](C)N)[C@H](C)COC 249906912 571796007 /nfs/dbraw/zinc/79/60/07/571796007.db2.gz HQCGVFGMYXSWCE-UTLUCORTSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@H+]([C@@H](C)[C@H](C)N)[C@H](C)COC 249906912 571796009 /nfs/dbraw/zinc/79/60/09/571796009.db2.gz HQCGVFGMYXSWCE-UTLUCORTSA-N 1 3 188.315 1.079 10 0 ADAEHO CCCN(C)C[C@@H]1CCC[C@H]1[NH2+]C 249737990 571796174 /nfs/dbraw/zinc/79/61/74/571796174.db2.gz CROOTCNALFYSCD-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](C[C@@H]1CCC[C@H]1N)C(C)C 249821373 571796247 /nfs/dbraw/zinc/79/62/47/571796247.db2.gz LOCPXPRZKVNLLK-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C[C@@H]1CCC[C@H]1N)C(C)C 249821373 571796250 /nfs/dbraw/zinc/79/62/50/571796250.db2.gz LOCPXPRZKVNLLK-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C[C@@H]1CCC[C@H]1[NH3+])C1CC1 249852356 571796345 /nfs/dbraw/zinc/79/63/45/571796345.db2.gz YOSDIGLNOZMPJD-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN(C[C@H]1CCC[C@H]1[NH2+]C)C1CC1 249848082 571796428 /nfs/dbraw/zinc/79/64/28/571796428.db2.gz WOJFBNKXUGAUBP-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CN(C)C 250661959 571796463 /nfs/dbraw/zinc/79/64/63/571796463.db2.gz QSGAVBRRWNFTHU-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCN(C)C[C@H]1CCC[C@H]1[NH2+]C 249737988 571796505 /nfs/dbraw/zinc/79/65/05/571796505.db2.gz CROOTCNALFYSCD-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]([C@@H](C)CCN)[C@H](C)COC 249884528 571796632 /nfs/dbraw/zinc/79/66/32/571796632.db2.gz BRJMZWZBXHBRST-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@@H+]([C@@H](C)CCN)[C@H](C)COC 249884528 571796638 /nfs/dbraw/zinc/79/66/38/571796638.db2.gz BRJMZWZBXHBRST-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN([C@@H](C)CC[NH3+])[C@H](C)COC 249884528 571796641 /nfs/dbraw/zinc/79/66/41/571796641.db2.gz BRJMZWZBXHBRST-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@H+]([C@H](C)COC)[C@H](C)[C@@H](C)N 249906910 571796865 /nfs/dbraw/zinc/79/68/65/571796865.db2.gz HQCGVFGMYXSWCE-OPRDCNLKSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@@H+]([C@H](C)COC)[C@H](C)[C@@H](C)N 249906910 571796867 /nfs/dbraw/zinc/79/68/67/571796867.db2.gz HQCGVFGMYXSWCE-OPRDCNLKSA-N 1 3 188.315 1.079 10 0 ADAEHO CCN(C[C@H]1CCC[C@H]1[NH3+])C1CC1 249852361 571797157 /nfs/dbraw/zinc/79/71/57/571797157.db2.gz YOSDIGLNOZMPJD-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CCn1ccnc1NCC1([NH3+])CCC1 234187714 571797194 /nfs/dbraw/zinc/79/71/94/571797194.db2.gz GVZNJWNOVNBLNY-UHFFFAOYSA-N 1 3 194.282 1.196 10 0 ADAEHO CCCCN1CC[C@@H]([NH2+]C)C[C@H]1C 242750334 571797206 /nfs/dbraw/zinc/79/72/06/571797206.db2.gz ZMBUMMBAJXXVJW-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+]1CC[C@@H](NC)C[C@H]1C 242750334 571797211 /nfs/dbraw/zinc/79/72/11/571797211.db2.gz ZMBUMMBAJXXVJW-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+]1CC[C@@H](NC)C[C@H]1C 242750334 571797213 /nfs/dbraw/zinc/79/72/13/571797213.db2.gz ZMBUMMBAJXXVJW-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]C)C[C@H]1C 242648374 571797377 /nfs/dbraw/zinc/79/73/77/571797377.db2.gz QUWHIUQMALKIPS-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](NC)C[C@H]1C 242648374 571797378 /nfs/dbraw/zinc/79/73/78/571797378.db2.gz QUWHIUQMALKIPS-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+]1CC[C@@H](NC)C[C@H]1C 242648374 571797381 /nfs/dbraw/zinc/79/73/81/571797381.db2.gz QUWHIUQMALKIPS-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(CC[C@@H](C)[NH3+])[C@H](C)COC 249808261 571797441 /nfs/dbraw/zinc/79/74/41/571797441.db2.gz FVXNQBWVIGXZJE-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC(C)C[N@H+](C)C[C@@H]1CCC[C@H]1N 250609972 571797775 /nfs/dbraw/zinc/79/77/75/571797775.db2.gz YYYOEOOADGFIAK-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CNC[C@@H](C)C[N@H+](C)[C@H](C)C1CC1 251105372 571797756 /nfs/dbraw/zinc/79/77/56/571797756.db2.gz NZHBZQYRXNTFQG-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H](C)C[N@@H+](C)[C@H](C)C1CC1 251105372 571797758 /nfs/dbraw/zinc/79/77/58/571797758.db2.gz NZHBZQYRXNTFQG-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@@H]1CCC[C@H]1N 250609972 571797779 /nfs/dbraw/zinc/79/77/79/571797779.db2.gz YYYOEOOADGFIAK-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[NH+]1CCC(N)CC1 37745367 571797861 /nfs/dbraw/zinc/79/78/61/571797861.db2.gz KJDDGPGJQASIJX-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[C@@H](C)N1CCC([NH3+])CC1 37745367 571797863 /nfs/dbraw/zinc/79/78/63/571797863.db2.gz KJDDGPGJQASIJX-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](N)C[N@H+](C)[C@H]1CCSC1 251099443 571798132 /nfs/dbraw/zinc/79/81/32/571798132.db2.gz QYNVNGWIHVSUSF-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](N)C[N@@H+](C)[C@H]1CCSC1 251099443 571798133 /nfs/dbraw/zinc/79/81/33/571798133.db2.gz QYNVNGWIHVSUSF-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](C)[C@H](C)[NH+]1CCC(N)CC1 37745369 571798230 /nfs/dbraw/zinc/79/82/30/571798230.db2.gz KJDDGPGJQASIJX-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[C@H](C)N1CCC([NH3+])CC1 37745369 571798233 /nfs/dbraw/zinc/79/82/33/571798233.db2.gz KJDDGPGJQASIJX-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH+]1CCC(N)CC1 37745368 571798520 /nfs/dbraw/zinc/79/85/20/571798520.db2.gz KJDDGPGJQASIJX-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@@H](C)N1CCC([NH3+])CC1 37745368 571798523 /nfs/dbraw/zinc/79/85/23/571798523.db2.gz KJDDGPGJQASIJX-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH2+]C[C@H](C)CN1CCC[C@H]1C 250758674 571798707 /nfs/dbraw/zinc/79/87/07/571798707.db2.gz XPZJNZKLSJHHGM-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H](C)C[N@@H+]1CCC[C@H]1C 250758674 571798708 /nfs/dbraw/zinc/79/87/08/571798708.db2.gz XPZJNZKLSJHHGM-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H](C)C[N@H+]1CCC[C@H]1C 250758674 571798711 /nfs/dbraw/zinc/79/87/11/571798711.db2.gz XPZJNZKLSJHHGM-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H](C)C[N@H+](C)[C@H](C)C1CC1 250596737 571798768 /nfs/dbraw/zinc/79/87/68/571798768.db2.gz DDJNNXHHTSALHK-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H](C)C[N@@H+](C)[C@H](C)C1CC1 250596737 571798771 /nfs/dbraw/zinc/79/87/71/571798771.db2.gz DDJNNXHHTSALHK-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)CN(C)[C@H](C)C1CC1 250596737 571798774 /nfs/dbraw/zinc/79/87/74/571798774.db2.gz DDJNNXHHTSALHK-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H]1CC[N@@H+]([C@H](C)C(C)C)C1 250600257 571798893 /nfs/dbraw/zinc/79/88/93/571798893.db2.gz DWGQYLNDUMGVBU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CCN[C@H]1CC[N@H+]([C@H](C)C(C)C)C1 250600257 571798896 /nfs/dbraw/zinc/79/88/96/571798896.db2.gz DWGQYLNDUMGVBU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)[C@H]1CCSC1 251100009 571798955 /nfs/dbraw/zinc/79/89/55/571798955.db2.gz MQULXIRVRUZTMB-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@H]1CCSC1 251100009 571798959 /nfs/dbraw/zinc/79/89/59/571798959.db2.gz MQULXIRVRUZTMB-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCSC1 251100009 571798962 /nfs/dbraw/zinc/79/89/62/571798962.db2.gz MQULXIRVRUZTMB-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)[C@H](C)C1CC1 251105380 571799034 /nfs/dbraw/zinc/79/90/34/571799034.db2.gz NZHBZQYRXNTFQG-VHSXEESVSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)[C@H](C)C1CC1 251105380 571799035 /nfs/dbraw/zinc/79/90/35/571799035.db2.gz NZHBZQYRXNTFQG-VHSXEESVSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[NH2+]C[C@H](C)CN[C@H]1C[C@H]1C 250591096 571799119 /nfs/dbraw/zinc/79/91/19/571799119.db2.gz BXQRMGQAGFQVOO-AEJSXWLSSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@H]1CC1(C)C 234438169 571799574 /nfs/dbraw/zinc/79/95/74/571799574.db2.gz UWAIGZNIHCWWGI-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CCCC[C@H]1C 251082328 571799686 /nfs/dbraw/zinc/79/96/86/571799686.db2.gz MFKVUFMXDKMKBJ-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CCCC[C@H]1C 251082328 571799692 /nfs/dbraw/zinc/79/96/92/571799692.db2.gz MFKVUFMXDKMKBJ-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCNC[C@@H](C)C[N@H+](C)[C@H](C)C1CC1 250596735 571799703 /nfs/dbraw/zinc/79/97/03/571799703.db2.gz DDJNNXHHTSALHK-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+](C)[C@H](C)C1CC1 250596735 571799708 /nfs/dbraw/zinc/79/97/08/571799708.db2.gz DDJNNXHHTSALHK-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN(C)[C@H](C)C1CC1 250596735 571799713 /nfs/dbraw/zinc/79/97/13/571799713.db2.gz DDJNNXHHTSALHK-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH+]1CCC(N)CC1 37745370 571800027 /nfs/dbraw/zinc/80/00/27/571800027.db2.gz KJDDGPGJQASIJX-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CC[NH3+])N(C)[C@H](C)COC 251084587 571800152 /nfs/dbraw/zinc/80/01/52/571800152.db2.gz MVPDFJDVZNGXDG-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)[C@H](C)COC 251084587 571800154 /nfs/dbraw/zinc/80/01/54/571800154.db2.gz MVPDFJDVZNGXDG-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)[C@H](C)COC 251084587 571800156 /nfs/dbraw/zinc/80/01/56/571800156.db2.gz MVPDFJDVZNGXDG-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@@H]1CC1(C)C 234438016 571800166 /nfs/dbraw/zinc/80/01/66/571800166.db2.gz UWAIGZNIHCWWGI-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO CCNC[C@H](C)[N@H+](C)[C@H](C)C(C)C 250610814 571800324 /nfs/dbraw/zinc/80/03/24/571800324.db2.gz HIJKTMVKGMNKSN-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@H](C)[N@@H+](C)[C@H](C)C(C)C 250610814 571800326 /nfs/dbraw/zinc/80/03/26/571800326.db2.gz HIJKTMVKGMNKSN-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN1CCC[C@H]1C 250758673 571800428 /nfs/dbraw/zinc/80/04/28/571800428.db2.gz XPZJNZKLSJHHGM-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+]1CCC[C@H]1C 250758673 571800429 /nfs/dbraw/zinc/80/04/29/571800429.db2.gz XPZJNZKLSJHHGM-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H](C)C[N@H+]1CCC[C@H]1C 250758673 571800431 /nfs/dbraw/zinc/80/04/31/571800431.db2.gz XPZJNZKLSJHHGM-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[C@H](N)C(C)(C)[NH+](C)C 74309848 571810076 /nfs/dbraw/zinc/81/00/76/571810076.db2.gz MOGGLUYJUOVOTA-VIFPVBQESA-N 1 3 172.316 1.700 10 0 ADAEHO CC[C@@H](N)C[N@@H+](CC)[C@H](C)COC 251119013 571802760 /nfs/dbraw/zinc/80/27/60/571802760.db2.gz WAINAQIOMGNUNA-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CC[NH3+])N(C)[C@H](C)COC 251084590 571800659 /nfs/dbraw/zinc/80/06/59/571800659.db2.gz MVPDFJDVZNGXDG-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)[C@H](C)COC 251084590 571800663 /nfs/dbraw/zinc/80/06/63/571800663.db2.gz MVPDFJDVZNGXDG-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)[C@H](C)COC 251084590 571800675 /nfs/dbraw/zinc/80/06/75/571800675.db2.gz MVPDFJDVZNGXDG-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CCCC[C@H]1C 251082325 571800783 /nfs/dbraw/zinc/80/07/83/571800783.db2.gz MFKVUFMXDKMKBJ-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CCCC[C@H]1C 251082325 571800786 /nfs/dbraw/zinc/80/07/86/571800786.db2.gz MFKVUFMXDKMKBJ-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CCC[C@H]1CN 250589192 571800936 /nfs/dbraw/zinc/80/09/36/571800936.db2.gz JRBDZHOLIOYXEO-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CCC[C@H]1CN 250589192 571800940 /nfs/dbraw/zinc/80/09/40/571800940.db2.gz JRBDZHOLIOYXEO-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN(C)[C@H](C)C(C)(C)C)C(N)=[NH2+] 251088101 571800961 /nfs/dbraw/zinc/80/09/61/571800961.db2.gz JPNXJGZPWOOSTI-DTWKUNHWSA-N 1 3 199.342 1.925 10 0 ADAEHO CC[NH2+]C[C@H](C)CN[C@@H]1C[C@H]1C 250591102 571800988 /nfs/dbraw/zinc/80/09/88/571800988.db2.gz BXQRMGQAGFQVOO-IVZWLZJFSA-N 1 3 170.300 1.230 10 0 ADAEHO CCN[C@@H]1CC[N@@H+]([C@H](C)C(C)C)C1 250600256 571801001 /nfs/dbraw/zinc/80/10/01/571801001.db2.gz DWGQYLNDUMGVBU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN[C@@H]1CC[N@H+]([C@H](C)C(C)C)C1 250600256 571801002 /nfs/dbraw/zinc/80/10/02/571801002.db2.gz DWGQYLNDUMGVBU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[C@@H](C[NH+](C)C)n1ccnc1N 687801821 571801068 /nfs/dbraw/zinc/80/10/68/571801068.db2.gz ZQEPEURNDQJJIY-SECBINFHSA-N 1 3 196.298 1.224 10 0 ADAEHO C[C@H](C[NH3+])CN(C)[C@H]1CCSC1 251100006 571801122 /nfs/dbraw/zinc/80/11/22/571801122.db2.gz MQULXIRVRUZTMB-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H](CN)C[N@H+](C)[C@H]1CCSC1 251100006 571801125 /nfs/dbraw/zinc/80/11/25/571801125.db2.gz MQULXIRVRUZTMB-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)[C@H]1CCSC1 251100006 571801129 /nfs/dbraw/zinc/80/11/29/571801129.db2.gz MQULXIRVRUZTMB-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO C(CNC1CC1)C[N@@H+]1CCC2(CC2)C1 400015231 571801463 /nfs/dbraw/zinc/80/14/63/571801463.db2.gz YSQLSDJAVZTPFE-UHFFFAOYSA-N 1 3 194.322 1.614 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CCC[C@H]1CN 250589196 571801300 /nfs/dbraw/zinc/80/13/00/571801300.db2.gz JRBDZHOLIOYXEO-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CCC[C@H]1CN 250589196 571801303 /nfs/dbraw/zinc/80/13/03/571801303.db2.gz JRBDZHOLIOYXEO-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C(CNC1CC1)C[N@H+]1CCC2(CC2)C1 400015231 571801467 /nfs/dbraw/zinc/80/14/67/571801467.db2.gz YSQLSDJAVZTPFE-UHFFFAOYSA-N 1 3 194.322 1.614 10 0 ADAEHO C[C@H](CN(C)[C@H](C)C(C)(C)C)C(N)=[NH2+] 251088103 571801420 /nfs/dbraw/zinc/80/14/20/571801420.db2.gz JPNXJGZPWOOSTI-RKDXNWHRSA-N 1 3 199.342 1.925 10 0 ADAEHO CCNC[C@@H](C)[N@H+](C)[C@H](C)C(C)C 250610812 571801722 /nfs/dbraw/zinc/80/17/22/571801722.db2.gz HIJKTMVKGMNKSN-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 250610812 571801725 /nfs/dbraw/zinc/80/17/25/571801725.db2.gz HIJKTMVKGMNKSN-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO C[NH2+][C@H](C)CNCC(C)(C)C(C)C 234437495 571802595 /nfs/dbraw/zinc/80/25/95/571802595.db2.gz UVSJIJMFFGAVMS-SNVBAGLBSA-N 1 3 186.343 1.866 10 0 ADAEHO C[NH2+][C@H](C)CNCC1(C(C)C)CC1 234437567 571802737 /nfs/dbraw/zinc/80/27/37/571802737.db2.gz MHJJTLSZWMOCDA-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@H](N)C[N@H+](CC)[C@H](C)COC 251119013 571802756 /nfs/dbraw/zinc/80/27/56/571802756.db2.gz WAINAQIOMGNUNA-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC(C)[C@H](C[NH+](C)C)n1ccnc1N 687801822 571803050 /nfs/dbraw/zinc/80/30/50/571803050.db2.gz ZQEPEURNDQJJIY-VIFPVBQESA-N 1 3 196.298 1.224 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@H](C)C(C)(C)C 251147026 571803460 /nfs/dbraw/zinc/80/34/60/571803460.db2.gz XRFIRSMJSVOCMM-VHSXEESVSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@H](C)C(C)(C)C 251147026 571803462 /nfs/dbraw/zinc/80/34/62/571803462.db2.gz XRFIRSMJSVOCMM-VHSXEESVSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@H]1C 251042318 571804224 /nfs/dbraw/zinc/80/42/24/571804224.db2.gz CVWBJNYMICOEBB-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CCC[C@H]1C 251042318 571804225 /nfs/dbraw/zinc/80/42/25/571804225.db2.gz CVWBJNYMICOEBB-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCNC[C@H](CC)[N@@H+]1CCC[C@H]1C 251064202 571804764 /nfs/dbraw/zinc/80/47/64/571804764.db2.gz IIIZMVXOTRHQHO-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@H](CC)[N@H+]1CCC[C@H]1C 251064202 571804773 /nfs/dbraw/zinc/80/47/73/571804773.db2.gz IIIZMVXOTRHQHO-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[NH2+][C@@H]1CCN[C@H](C)C1 73657374 571804820 /nfs/dbraw/zinc/80/48/20/571804820.db2.gz RKCVRKGTJLKODB-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCN1CC[C@H]([NH+](C)C)C[C@@H]1C 73655977 571804903 /nfs/dbraw/zinc/80/49/03/571804903.db2.gz IZOVWBGQULJJAX-QWRGUYRKSA-N 1 3 184.327 1.811 10 0 ADAEHO C[C@H](CN)C[N@H+](C)[C@H](C)C(C)(C)C 251147021 571804922 /nfs/dbraw/zinc/80/49/22/571804922.db2.gz XRFIRSMJSVOCMM-NXEZZACHSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)[C@H](C)C(C)(C)C 251147021 571804924 /nfs/dbraw/zinc/80/49/24/571804924.db2.gz XRFIRSMJSVOCMM-NXEZZACHSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](N(C)C)[C@@H](C)C1 73654363 571804968 /nfs/dbraw/zinc/80/49/68/571804968.db2.gz DZLMPXAWNAQJRU-RYUDHWBXSA-N 1 3 198.354 1.914 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](N(C)C)[C@@H](C)C1 73654363 571804974 /nfs/dbraw/zinc/80/49/74/571804974.db2.gz DZLMPXAWNAQJRU-RYUDHWBXSA-N 1 3 198.354 1.914 10 0 ADAEHO CC(C)CN1CC[C@H]([NH+](C)C)[C@@H](C)C1 73654363 571804978 /nfs/dbraw/zinc/80/49/78/571804978.db2.gz DZLMPXAWNAQJRU-RYUDHWBXSA-N 1 3 198.354 1.914 10 0 ADAEHO CC[C@H](N)C[N@H+](CC)[C@H](C)COC 251119015 571805289 /nfs/dbraw/zinc/80/52/89/571805289.db2.gz WAINAQIOMGNUNA-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](N)C[N@@H+](CC)[C@H](C)COC 251119015 571805293 /nfs/dbraw/zinc/80/52/93/571805293.db2.gz WAINAQIOMGNUNA-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CCC[C@H]1C 251042317 571805567 /nfs/dbraw/zinc/80/55/67/571805567.db2.gz CVWBJNYMICOEBB-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CCC[C@H]1C 251042317 571805569 /nfs/dbraw/zinc/80/55/69/571805569.db2.gz CVWBJNYMICOEBB-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCN[C@@H](C)C1 73657389 571805786 /nfs/dbraw/zinc/80/57/86/571805786.db2.gz ZHICUFZXGLQRJM-DTWKUNHWSA-N 1 3 156.273 1.125 10 0 ADAEHO C[NH+](C)C1CCN(C(C)(C)C)CC1 73653606 571805875 /nfs/dbraw/zinc/80/58/75/571805875.db2.gz LTCOMPWPYCUZRL-UHFFFAOYSA-N 1 3 184.327 1.811 10 0 ADAEHO CCNC[C@@H](CC)[N@@H+]1CCC[C@H]1C 251064199 571805913 /nfs/dbraw/zinc/80/59/13/571805913.db2.gz IIIZMVXOTRHQHO-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@@H](CC)[N@H+]1CCC[C@H]1C 251064199 571805915 /nfs/dbraw/zinc/80/59/15/571805915.db2.gz IIIZMVXOTRHQHO-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](CNC)[N@@H+]1CCC[C@H]1C 251048634 571806215 /nfs/dbraw/zinc/80/62/15/571806215.db2.gz FOYVHXRFYRXKRB-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H](CNC)[N@H+]1CCC[C@H]1C 251048634 571806219 /nfs/dbraw/zinc/80/62/19/571806219.db2.gz FOYVHXRFYRXKRB-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)C[NH+]1CCC(NC2CC2)CC1 73652865 571806419 /nfs/dbraw/zinc/80/64/19/571806419.db2.gz OSCJMAUDRUCFGQ-UHFFFAOYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCN[C@H](C)C1 73657385 571806499 /nfs/dbraw/zinc/80/64/99/571806499.db2.gz ZHICUFZXGLQRJM-RKDXNWHRSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)[C@H]1CCSC1 251180136 571809969 /nfs/dbraw/zinc/80/99/69/571809969.db2.gz GZZIAANHTGIVGE-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)[C@H]1CCSC1 251180136 571809972 /nfs/dbraw/zinc/80/99/72/571809972.db2.gz GZZIAANHTGIVGE-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)[C@H]1CCSC1 251180136 571809973 /nfs/dbraw/zinc/80/99/73/571809973.db2.gz GZZIAANHTGIVGE-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1C[C@@H](N(C)C)CC[N@@H+]1C 73655655 571806701 /nfs/dbraw/zinc/80/67/01/571806701.db2.gz MRPJUASRMDTNRL-IUCAKERBSA-N 1 3 156.273 1.031 10 0 ADAEHO C[C@H]1C[C@@H](N(C)C)CC[N@H+]1C 73655655 571806706 /nfs/dbraw/zinc/80/67/06/571806706.db2.gz MRPJUASRMDTNRL-IUCAKERBSA-N 1 3 156.273 1.031 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C(C)(C)C 73655304 571807150 /nfs/dbraw/zinc/80/71/50/571807150.db2.gz RYHSNMAXUWLVCI-BDAKNGLRSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)[NH2+][C@H]1CCN[C@@H](C)C1 73657393 571807313 /nfs/dbraw/zinc/80/73/13/571807313.db2.gz ZHICUFZXGLQRJM-IUCAKERBSA-N 1 3 156.273 1.125 10 0 ADAEHO CCCN1CC[C@@H]([NH+](C)C)C[C@@H]1C 73655980 571807335 /nfs/dbraw/zinc/80/73/35/571807335.db2.gz IZOVWBGQULJJAX-WDEREUQCSA-N 1 3 184.327 1.811 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]C(C)(C)C 73655310 571807349 /nfs/dbraw/zinc/80/73/49/571807349.db2.gz RYHSNMAXUWLVCI-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]C(C)(C)C 73655305 571807290 /nfs/dbraw/zinc/80/72/90/571807290.db2.gz RYHSNMAXUWLVCI-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC[C@@H](C)C[N@H+](C)C[C@H](C)CN 251283132 571807668 /nfs/dbraw/zinc/80/76/68/571807668.db2.gz GMUPABBXJHFFIU-GHMZBOCLSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@@H](C)C[N@@H+](C)C[C@H](C)CN 251283132 571807672 /nfs/dbraw/zinc/80/76/72/571807672.db2.gz GMUPABBXJHFFIU-GHMZBOCLSA-N 1 3 186.343 1.949 10 0 ADAEHO C[C@H](C1CC1)N(C)CC[C@H]1CCC[NH2+]1 251517734 571807705 /nfs/dbraw/zinc/80/77/05/571807705.db2.gz JBIZGKWVSCJLQY-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]C(C)(C)C 73655309 571807803 /nfs/dbraw/zinc/80/78/03/571807803.db2.gz RYHSNMAXUWLVCI-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](N(C)C)[C@H](C)C1 73654074 571807950 /nfs/dbraw/zinc/80/79/50/571807950.db2.gz DXTPTDLWUFWZBP-GHMZBOCLSA-N 1 3 184.327 1.668 10 0 ADAEHO CCC[N@H+]1CC[C@@H](N(C)C)[C@H](C)C1 73654074 571807951 /nfs/dbraw/zinc/80/79/51/571807951.db2.gz DXTPTDLWUFWZBP-GHMZBOCLSA-N 1 3 184.327 1.668 10 0 ADAEHO CN(C)CC[C@@H]([NH3+])Cc1cccs1 74236874 571807979 /nfs/dbraw/zinc/80/79/79/571807979.db2.gz JVEKXSMHCUNISZ-SECBINFHSA-N 1 3 198.335 1.570 10 0 ADAEHO C[NH+](C)CC[C@@H](N)Cc1cccs1 74236874 571807981 /nfs/dbraw/zinc/80/79/81/571807981.db2.gz JVEKXSMHCUNISZ-SECBINFHSA-N 1 3 198.335 1.570 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@H]1C[C@H]1C 251229405 571807998 /nfs/dbraw/zinc/80/79/98/571807998.db2.gz ZXKWGBJQQTYWGM-VGMNWLOBSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@@H]1C[C@H]1C 251229403 571808008 /nfs/dbraw/zinc/80/80/08/571808008.db2.gz ZXKWGBJQQTYWGM-HRDYMLBCSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](N(C)C)[C@H](C)C1 73654361 571808059 /nfs/dbraw/zinc/80/80/59/571808059.db2.gz DZLMPXAWNAQJRU-NEPJUHHUSA-N 1 3 198.354 1.914 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](N(C)C)[C@H](C)C1 73654361 571808062 /nfs/dbraw/zinc/80/80/62/571808062.db2.gz DZLMPXAWNAQJRU-NEPJUHHUSA-N 1 3 198.354 1.914 10 0 ADAEHO CC(C)CN1CC[C@H]([NH+](C)C)[C@H](C)C1 73654361 571808066 /nfs/dbraw/zinc/80/80/66/571808066.db2.gz DZLMPXAWNAQJRU-NEPJUHHUSA-N 1 3 198.354 1.914 10 0 ADAEHO CNC[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 251496838 571808216 /nfs/dbraw/zinc/80/82/16/571808216.db2.gz HDWVUTWCRFHXHW-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 251496838 571808222 /nfs/dbraw/zinc/80/82/22/571808222.db2.gz HDWVUTWCRFHXHW-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CN(C)CC[C@H]([NH3+])Cc1cccs1 74236873 571808300 /nfs/dbraw/zinc/80/83/00/571808300.db2.gz JVEKXSMHCUNISZ-VIFPVBQESA-N 1 3 198.335 1.570 10 0 ADAEHO C[NH+](C)CC[C@H](N)Cc1cccs1 74236873 571808305 /nfs/dbraw/zinc/80/83/05/571808305.db2.gz JVEKXSMHCUNISZ-VIFPVBQESA-N 1 3 198.335 1.570 10 0 ADAEHO CCN(CC)CC[C@H]([NH3+])CCOC 687722500 571808370 /nfs/dbraw/zinc/80/83/70/571808370.db2.gz XBNISVGCHKOYHZ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@H+](C)[C@H](C)COC 251191874 571808439 /nfs/dbraw/zinc/80/84/39/571808439.db2.gz ARGNSYGQYXHRPW-UTLUCORTSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@@H+](C)[C@H](C)COC 251191874 571808442 /nfs/dbraw/zinc/80/84/42/571808442.db2.gz ARGNSYGQYXHRPW-UTLUCORTSA-N 1 3 188.315 1.079 10 0 ADAEHO CCC[NH2+][C@@H]1CCN[C@@H](C)C1 73657380 571808450 /nfs/dbraw/zinc/80/84/50/571808450.db2.gz RKCVRKGTJLKODB-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCC[C@H]1N 251520960 571808514 /nfs/dbraw/zinc/80/85/14/571808514.db2.gz JKYUIZFKOCFDBJ-ADEWGFFLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[C@H]1N 251520960 571808519 /nfs/dbraw/zinc/80/85/19/571808519.db2.gz JKYUIZFKOCFDBJ-ADEWGFFLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C1CC1)N(C)CC[C@H]1CCC[NH2+]1 251517362 571808543 /nfs/dbraw/zinc/80/85/43/571808543.db2.gz JBIZGKWVSCJLQY-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H](C[N@@H+]1CC[C@H](C)C1)C(C)(C)C 251521874 571808646 /nfs/dbraw/zinc/80/86/46/571808646.db2.gz ACQKWNQGXUYMRL-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C[N@H+]1CC[C@H](C)C1)C(C)(C)C 251521874 571808649 /nfs/dbraw/zinc/80/86/49/571808649.db2.gz ACQKWNQGXUYMRL-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[N@@H+]1CC[C@H](N(C)C)[C@H](C)C1 73654070 571808695 /nfs/dbraw/zinc/80/86/95/571808695.db2.gz DXTPTDLWUFWZBP-MNOVXSKESA-N 1 3 184.327 1.668 10 0 ADAEHO CCC[N@H+]1CC[C@H](N(C)C)[C@H](C)C1 73654070 571808698 /nfs/dbraw/zinc/80/86/98/571808698.db2.gz DXTPTDLWUFWZBP-MNOVXSKESA-N 1 3 184.327 1.668 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C(C)(C)C)CCN1 73657396 571809378 /nfs/dbraw/zinc/80/93/78/571809378.db2.gz LZMNUBJRPHFBBW-RKDXNWHRSA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@@H]1N 251520972 571809466 /nfs/dbraw/zinc/80/94/66/571809466.db2.gz JKYUIZFKOCFDBJ-JLLWLGSASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[C@@H]1N 251520972 571809467 /nfs/dbraw/zinc/80/94/67/571809467.db2.gz JKYUIZFKOCFDBJ-JLLWLGSASA-N 1 3 196.338 1.844 10 0 ADAEHO CN[C@@H](C)CC[N@H+](C)[C@H](C)C1CC1 251270113 571809488 /nfs/dbraw/zinc/80/94/88/571809488.db2.gz XMBCKWCQOVZGAG-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H](C)CC[N@@H+](C)[C@H](C)C1CC1 251270113 571809489 /nfs/dbraw/zinc/80/94/89/571809489.db2.gz XMBCKWCQOVZGAG-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)[C@H](C)C1CC1 251270113 571809490 /nfs/dbraw/zinc/80/94/90/571809490.db2.gz XMBCKWCQOVZGAG-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC[C@@H](C)CN(C)C[C@H](C)C(N)=[NH2+] 251244023 571809508 /nfs/dbraw/zinc/80/95/08/571809508.db2.gz BALPDRONLIQWNE-ZJUUUORDSA-N 1 3 199.342 1.926 10 0 ADAEHO CCC[C@@H]([NH3+])C(C)(C)N1CCCC1 74282320 571809997 /nfs/dbraw/zinc/80/99/97/571809997.db2.gz SVMTVAKTEYAGQN-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](CC[NH3+])N(C)[C@H]1CCSC1 251180135 571810552 /nfs/dbraw/zinc/81/05/52/571810552.db2.gz GZZIAANHTGIVGE-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](CCN)[N@H+](C)[C@H]1CCSC1 251180135 571810555 /nfs/dbraw/zinc/81/05/55/571810555.db2.gz GZZIAANHTGIVGE-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)[C@H]1CCSC1 251180135 571810558 /nfs/dbraw/zinc/81/05/58/571810558.db2.gz GZZIAANHTGIVGE-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CN(C)CC[C@H]([NH3+])CC1CC1 74342457 571810794 /nfs/dbraw/zinc/81/07/94/571810794.db2.gz HMNJOJZTNRSNTA-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]([NH3+])CCN(C)[C@H]1CCSC1 251173215 571810826 /nfs/dbraw/zinc/81/08/26/571810826.db2.gz FMWRVFXMYMMSQT-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CNCC[C@@H](C)[N@H+](C)[C@H](C)C1CC1 251195019 571811135 /nfs/dbraw/zinc/81/11/35/571811135.db2.gz JTNMUWBOZDCKFC-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNCC[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 251195019 571811142 /nfs/dbraw/zinc/81/11/42/571811142.db2.gz JTNMUWBOZDCKFC-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)[C@H](C)C1CC1 251195022 571811191 /nfs/dbraw/zinc/81/11/91/571811191.db2.gz JTNMUWBOZDCKFC-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)[C@H](C)C1CC1 251195022 571811195 /nfs/dbraw/zinc/81/11/95/571811195.db2.gz JTNMUWBOZDCKFC-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)[C@H]1CCSC1 251173213 571811378 /nfs/dbraw/zinc/81/13/78/571811378.db2.gz FMWRVFXMYMMSQT-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CN(C)CC[C@H]([NH3+])CC1CCCC1 74282406 571811546 /nfs/dbraw/zinc/81/15/46/571811546.db2.gz YXOSCRFFCXWONW-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H]([NH3+])CN1CCC[C@H]1C 251223121 571811592 /nfs/dbraw/zinc/81/15/92/571811592.db2.gz ZAMMRPQSNBKLCJ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)[C@H](C)C1CC1 251270109 571811800 /nfs/dbraw/zinc/81/18/00/571811800.db2.gz XMBCKWCQOVZGAG-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)[C@H](C)C1CC1 251270109 571811804 /nfs/dbraw/zinc/81/18/04/571811804.db2.gz XMBCKWCQOVZGAG-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)[C@H](C)C1CC1 251270109 571811810 /nfs/dbraw/zinc/81/18/10/571811810.db2.gz XMBCKWCQOVZGAG-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(CC)CC[C@@H]([NH3+])CCOC 687722501 571811900 /nfs/dbraw/zinc/81/19/00/571811900.db2.gz XBNISVGCHKOYHZ-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO C[NH+](C)C[C@H](N)CCc1ccccc1 74268377 571811952 /nfs/dbraw/zinc/81/19/52/571811952.db2.gz IXMVOVJULRXOEV-GFCCVEGCSA-N 1 3 192.306 1.508 10 0 ADAEHO C[NH2+]CCNC[C@@H]1CCC(F)(F)C1 301028064 571811999 /nfs/dbraw/zinc/81/19/99/571811999.db2.gz SUXCBEDNBBJRKV-MRVPVSSYSA-N 1 3 192.253 1.231 10 0 ADAEHO CC(C)C[C@@H](N)C(C)(C)[NH+](C)C 74309850 571812158 /nfs/dbraw/zinc/81/21/58/571812158.db2.gz MOGGLUYJUOVOTA-SECBINFHSA-N 1 3 172.316 1.700 10 0 ADAEHO C[NH2+]CCNC[C@H]1CCC(F)(F)C1 301028066 571812170 /nfs/dbraw/zinc/81/21/70/571812170.db2.gz SUXCBEDNBBJRKV-QMMMGPOBSA-N 1 3 192.253 1.231 10 0 ADAEHO CNC[C@@H](C)C[N@H+](C)[C@H](C)C(C)C 251272925 571812203 /nfs/dbraw/zinc/81/22/03/571812203.db2.gz CBNVYZUWRVDOBH-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@@H](C)C[N@@H+](C)[C@H](C)C(C)C 251272925 571812206 /nfs/dbraw/zinc/81/22/06/571812206.db2.gz CBNVYZUWRVDOBH-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO CCC[C@H](C)[N@H+](C)C[C@H](C)CNC 251268428 571812316 /nfs/dbraw/zinc/81/23/16/571812316.db2.gz DSDKCBMYPLSFAZ-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)C[C@H](C)CNC 251268428 571812318 /nfs/dbraw/zinc/81/23/18/571812318.db2.gz DSDKCBMYPLSFAZ-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@H](C)N(C)C[C@H](C)C[NH2+]C 251268428 571812321 /nfs/dbraw/zinc/81/23/21/571812321.db2.gz DSDKCBMYPLSFAZ-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@@H]([NH3+])CN1CCC[C@H]1C 251223119 571812404 /nfs/dbraw/zinc/81/24/04/571812404.db2.gz ZAMMRPQSNBKLCJ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@H+](C)[C@H](C)COC 251191870 571812475 /nfs/dbraw/zinc/81/24/75/571812475.db2.gz ARGNSYGQYXHRPW-BBBLOLIVSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@@H+](C)[C@H](C)COC 251191870 571812478 /nfs/dbraw/zinc/81/24/78/571812478.db2.gz ARGNSYGQYXHRPW-BBBLOLIVSA-N 1 3 188.315 1.079 10 0 ADAEHO C[NH2+][C@H](C)CNCC1(C2CC2)CC1 234437775 571812497 /nfs/dbraw/zinc/81/24/97/571812497.db2.gz WBZCQXNHHDORGE-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO CCC[C@H](C)C[N@H+](C)C[C@H](C)CN 251283136 571812506 /nfs/dbraw/zinc/81/25/06/571812506.db2.gz GMUPABBXJHFFIU-WDEREUQCSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@H](C)C[N@@H+](C)C[C@H](C)CN 251283136 571812509 /nfs/dbraw/zinc/81/25/09/571812509.db2.gz GMUPABBXJHFFIU-WDEREUQCSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@H]([NH3+])C(C)(C)N1CCCC1 74282315 571812529 /nfs/dbraw/zinc/81/25/29/571812529.db2.gz SVMTVAKTEYAGQN-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@H]1N 251520982 571812568 /nfs/dbraw/zinc/81/25/68/571812568.db2.gz JKYUIZFKOCFDBJ-YUSALJHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[C@H]1N 251520982 571812571 /nfs/dbraw/zinc/81/25/71/571812571.db2.gz JKYUIZFKOCFDBJ-YUSALJHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[NH+](C)C[C@@H](N)CCc1ccccc1 74268380 571812586 /nfs/dbraw/zinc/81/25/86/571812586.db2.gz IXMVOVJULRXOEV-LBPRGKRZSA-N 1 3 192.306 1.508 10 0 ADAEHO CNCC[C@@H](C)[N@H+](C)[C@H](C)C(C)C 251322879 571813071 /nfs/dbraw/zinc/81/30/71/571813071.db2.gz MNEUQQJGNPQREH-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CNCC[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 251322879 571813074 /nfs/dbraw/zinc/81/30/74/571813074.db2.gz MNEUQQJGNPQREH-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CC(C)C[C@@H](C)N(C)C[C@H](C)C(N)=[NH2+] 251351522 571813297 /nfs/dbraw/zinc/81/32/97/571813297.db2.gz BNUFDJKKFDFJCK-VHSXEESVSA-N 1 3 199.342 1.925 10 0 ADAEHO CN(C)CC[C@@H]([NH3+])CC1CCCC1 74282413 571813300 /nfs/dbraw/zinc/81/33/00/571813300.db2.gz YXOSCRFFCXWONW-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)C[C@H](C)[N@H+](C)C[C@H](C)CN 251439673 571813309 /nfs/dbraw/zinc/81/33/09/571813309.db2.gz UYNDTXDJXVEHHJ-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@H](C)[N@@H+](C)C[C@H](C)CN 251439673 571813316 /nfs/dbraw/zinc/81/33/16/571813316.db2.gz UYNDTXDJXVEHHJ-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H]1CCC[N@H+](C[C@H](C)CN)C1 251528140 571813364 /nfs/dbraw/zinc/81/33/64/571813364.db2.gz AFYKSCUSDLLWNJ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H]1CCC[N@@H+](C[C@H](C)CN)C1 251528140 571813367 /nfs/dbraw/zinc/81/33/67/571813367.db2.gz AFYKSCUSDLLWNJ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO Cc1ccc(CCCNCC[NH3+])cc1 74339403 571813404 /nfs/dbraw/zinc/81/34/04/571813404.db2.gz IOYNQNWXJDCJEZ-UHFFFAOYSA-N 1 3 192.306 1.476 10 0 ADAEHO CNC[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 251438134 571813579 /nfs/dbraw/zinc/81/35/79/571813579.db2.gz URHSHHILMXUPLG-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 251438134 571813586 /nfs/dbraw/zinc/81/35/86/571813586.db2.gz URHSHHILMXUPLG-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@@](C)([NH3+])CN1CCC[C@H]1C 251299003 571814614 /nfs/dbraw/zinc/81/46/14/571814614.db2.gz ISPMFFLBUAQLPI-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1CCCN1C[C@](C)([NH3+])C1CC1 37911234 571814625 /nfs/dbraw/zinc/81/46/25/571814625.db2.gz GYOGUFDFPWCZHA-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H](C)CN(CC)C[C@H](C)C(N)=[NH2+] 251525511 571814668 /nfs/dbraw/zinc/81/46/68/571814668.db2.gz AKIITGIMTTUTDZ-ZJUUUORDSA-N 1 3 199.342 1.926 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@@H]1C 37910081 571814870 /nfs/dbraw/zinc/81/48/70/571814870.db2.gz CVWBJNYMICOEBB-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CCC[C@@H]1C 37910081 571814873 /nfs/dbraw/zinc/81/48/73/571814873.db2.gz CVWBJNYMICOEBB-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 251384935 571815032 /nfs/dbraw/zinc/81/50/32/571815032.db2.gz IMHKSAYNQNFTKO-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 251384935 571815034 /nfs/dbraw/zinc/81/50/34/571815034.db2.gz IMHKSAYNQNFTKO-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CCC[C@H]1C(C)C 251391471 571817362 /nfs/dbraw/zinc/81/73/62/571817362.db2.gz KAFNFBKUPBUUHR-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CCC[C@H]1C(C)C 251391471 571817365 /nfs/dbraw/zinc/81/73/65/571817365.db2.gz KAFNFBKUPBUUHR-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1CC[C@H](C)N 251408002 571815338 /nfs/dbraw/zinc/81/53/38/571815338.db2.gz NDIZOTMYNQEDNQ-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1CC[C@H](C)N 251408002 571815340 /nfs/dbraw/zinc/81/53/40/571815340.db2.gz NDIZOTMYNQEDNQ-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@H](C)CCNC 251756396 571818096 /nfs/dbraw/zinc/81/80/96/571818096.db2.gz HHUAOWNUJOPWQM-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H]1CCCC[N@H+]1CC[C@H](C)N 251655946 571818614 /nfs/dbraw/zinc/81/86/14/571818614.db2.gz GSPVGWOUMQPWTL-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@](C)([NH3+])CN1CCC[C@H]1C 251299005 571815877 /nfs/dbraw/zinc/81/58/77/571815877.db2.gz ISPMFFLBUAQLPI-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](NC)[C@@H](C)[N@@H+]1CCC[C@H]1C 251370381 571816081 /nfs/dbraw/zinc/81/60/81/571816081.db2.gz YJYLNULENJHDKY-MXWKQRLJSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](NC)[C@@H](C)[N@H+]1CCC[C@H]1C 251370381 571816084 /nfs/dbraw/zinc/81/60/84/571816084.db2.gz YJYLNULENJHDKY-MXWKQRLJSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1CCNC 37914189 571816121 /nfs/dbraw/zinc/81/61/21/571816121.db2.gz AHVUMPAEAMNPDX-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1CCNC 37914189 571816126 /nfs/dbraw/zinc/81/61/26/571816126.db2.gz AHVUMPAEAMNPDX-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1C[C@H](C)CN 251358320 571816141 /nfs/dbraw/zinc/81/61/41/571816141.db2.gz CVJYILXMQBFQGP-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1C[C@H](C)CN 251358320 571816146 /nfs/dbraw/zinc/81/61/46/571816146.db2.gz CVJYILXMQBFQGP-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](NC)[C@H](C)[N@@H+]1CCC[C@H]1C 251370384 571816344 /nfs/dbraw/zinc/81/63/44/571816344.db2.gz YJYLNULENJHDKY-VWYCJHECSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](NC)[C@H](C)[N@H+]1CCC[C@H]1C 251370384 571816349 /nfs/dbraw/zinc/81/63/49/571816349.db2.gz YJYLNULENJHDKY-VWYCJHECSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)C[C@H](C)N(C)C[C@H]1CC[NH2+]C1 251448724 571816439 /nfs/dbraw/zinc/81/64/39/571816439.db2.gz WSDZQBWIMYLLBR-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[C@H]([NH3+])CN[C@@H]1C[C@H]1C 251332355 571816548 /nfs/dbraw/zinc/81/65/48/571816548.db2.gz LJMJAYPLNMIGGF-KXUCPTDWSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1CN 37913253 571816576 /nfs/dbraw/zinc/81/65/76/571816576.db2.gz LVTADXUTKIOGEJ-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1CN 37913253 571816581 /nfs/dbraw/zinc/81/65/81/571816581.db2.gz LVTADXUTKIOGEJ-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)C[C@@H](C)[N@H+](C)C[C@H](C)CN 251439670 571816599 /nfs/dbraw/zinc/81/65/99/571816599.db2.gz UYNDTXDJXVEHHJ-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@@H](C)[N@@H+](C)C[C@H](C)CN 251439670 571816601 /nfs/dbraw/zinc/81/66/01/571816601.db2.gz UYNDTXDJXVEHHJ-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[C@](C)([NH3+])CN[C@H]1C[C@H]1C 251293055 571816843 /nfs/dbraw/zinc/81/68/43/571816843.db2.gz HYNTVJHWMUNZLU-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1CCC[N@H+](C[C@H](C)CN)C1 251528121 571816930 /nfs/dbraw/zinc/81/69/30/571816930.db2.gz AFYKSCUSDLLWNJ-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](C[C@H](C)CN)C1 251528121 571816932 /nfs/dbraw/zinc/81/69/32/571816932.db2.gz AFYKSCUSDLLWNJ-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CN[C@@H](C)CC[N@H+](C)[C@H](C)C(C)C 251286431 571817035 /nfs/dbraw/zinc/81/70/35/571817035.db2.gz FJTRWUWLEIVONE-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO 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/nfs/dbraw/zinc/81/87/29/571818729.db2.gz LISPZEZSHKSEGE-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CC[C@H](C)C1 251687619 571818803 /nfs/dbraw/zinc/81/88/03/571818803.db2.gz MWYFVQLQJIAKFQ-VHSXEESVSA-N 1 3 170.300 1.184 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CC[C@H](C)C1 251687619 571818805 /nfs/dbraw/zinc/81/88/05/571818805.db2.gz MWYFVQLQJIAKFQ-VHSXEESVSA-N 1 3 170.300 1.184 10 0 ADAEHO CC[C@H](C)C[N@H+](C)C[C@H](C)CNC 251718864 571818842 /nfs/dbraw/zinc/81/88/42/571818842.db2.gz DTRVPXFBPVKJSU-WDEREUQCSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)C[C@H](C)CNC 251718864 571818845 /nfs/dbraw/zinc/81/88/45/571818845.db2.gz DTRVPXFBPVKJSU-WDEREUQCSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@H](C)CN(C)C[C@H](C)C[NH2+]C 251718864 571818848 /nfs/dbraw/zinc/81/88/48/571818848.db2.gz DTRVPXFBPVKJSU-WDEREUQCSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@@H](C[N@@H+]1CCC[C@H]1CC)NC 251578073 571819229 /nfs/dbraw/zinc/81/92/29/571819229.db2.gz CENWXPVNNPRHHH-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C[N@H+]1CCC[C@H]1CC)NC 251578073 571819230 /nfs/dbraw/zinc/81/92/30/571819230.db2.gz CENWXPVNNPRHHH-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCC[C@H]1[NH+]1CC(CN)C1 712563180 571824703 /nfs/dbraw/zinc/82/47/03/571824703.db2.gz MZCAHNGJYPLSTG-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])CN[C@@H]1C[C@H]1C 251734065 571819697 /nfs/dbraw/zinc/81/96/97/571819697.db2.gz FUMADMUBFKAOPJ-SGIHWFKDSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H](C)CCNC2CC2)C1 251657670 571819803 /nfs/dbraw/zinc/81/98/03/571819803.db2.gz KNAHHOIOWUCCMX-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H](C)CCNC2CC2)C1 251657670 571819805 /nfs/dbraw/zinc/81/98/05/571819805.db2.gz KNAHHOIOWUCCMX-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCN([C@H](C)CC[NH2+]C2CC2)C1 251657670 571819808 /nfs/dbraw/zinc/81/98/08/571819808.db2.gz KNAHHOIOWUCCMX-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1CCC[C@H]1N1CC(C[NH3+])C1 712563180 571824704 /nfs/dbraw/zinc/82/47/04/571824704.db2.gz MZCAHNGJYPLSTG-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@H](C)CCNC 251673386 571819861 /nfs/dbraw/zinc/81/98/61/571819861.db2.gz CPHQJTYQJLSLDZ-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@H](C)CCNC 251673386 571819863 /nfs/dbraw/zinc/81/98/63/571819863.db2.gz CPHQJTYQJLSLDZ-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCC[C@H](C)C1 252086576 571824783 /nfs/dbraw/zinc/82/47/83/571824783.db2.gz CXKFEACAFYHLJL-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](C)CC[N@@H+]1CCC[C@H](C)C1 252086576 571824785 /nfs/dbraw/zinc/82/47/85/571824785.db2.gz CXKFEACAFYHLJL-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](C)CC[N@H+]1CCC[C@H](C)C1 252086576 571824786 /nfs/dbraw/zinc/82/47/86/571824786.db2.gz CXKFEACAFYHLJL-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H]1CCCC[N@@H+]1C[C@H](C)CN 251694638 571820241 /nfs/dbraw/zinc/82/02/41/571820241.db2.gz 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/nfs/dbraw/zinc/82/06/55/571820655.db2.gz GSPVGWOUMQPWTL-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)C[N@H+](CC)C[C@H](C)CN 251661387 571820688 /nfs/dbraw/zinc/82/06/88/571820688.db2.gz BVGCPPCZHIUQJB-GHMZBOCLSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](C)C[N@@H+](CC)C[C@H](C)CN 251661387 571820693 /nfs/dbraw/zinc/82/06/93/571820693.db2.gz BVGCPPCZHIUQJB-GHMZBOCLSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H]1CCCC[N@@H+]1C[C@H](C)CN 251694641 571820838 /nfs/dbraw/zinc/82/08/38/571820838.db2.gz INYPJROVWABPAM-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCCC[N@H+]1C[C@H](C)CN 251694641 571820840 /nfs/dbraw/zinc/82/08/40/571820840.db2.gz INYPJROVWABPAM-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@H](C)CCNC 251756390 571820906 /nfs/dbraw/zinc/82/09/06/571820906.db2.gz HHUAOWNUJOPWQM-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@H](C)CCNC 251756390 571820910 /nfs/dbraw/zinc/82/09/10/571820910.db2.gz HHUAOWNUJOPWQM-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@H](C)CCN 251752963 571820922 /nfs/dbraw/zinc/82/09/22/571820922.db2.gz LLQAANFBYISBCY-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@H](C)CCN 251752963 571820923 /nfs/dbraw/zinc/82/09/23/571820923.db2.gz LLQAANFBYISBCY-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])CN[C@H]1C[C@@H]1C 251734063 571820948 /nfs/dbraw/zinc/82/09/48/571820948.db2.gz FUMADMUBFKAOPJ-QEYWKRMJSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@H](CNC1CC1)C[N@@H+]1CCC[C@H]1C 251580643 571820993 /nfs/dbraw/zinc/82/09/93/571820993.db2.gz BABRELKTURHDTO-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](CNC1CC1)C[N@H+]1CCC[C@H]1C 251580643 571820998 /nfs/dbraw/zinc/82/09/98/571820998.db2.gz BABRELKTURHDTO-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)CN1CCC[C@H]1C 251580643 571821001 /nfs/dbraw/zinc/82/10/01/571821001.db2.gz BABRELKTURHDTO-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H](C)CNC)C1 251733132 571821916 /nfs/dbraw/zinc/82/19/16/571821916.db2.gz KMMMPYVSGNYHNX-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H](C)CNC)C1 251733132 571821920 /nfs/dbraw/zinc/82/19/20/571821920.db2.gz KMMMPYVSGNYHNX-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CCC[N@H+](CC[C@H](C)N)C1 251703441 571821979 /nfs/dbraw/zinc/82/19/79/571821979.db2.gz JBZYSFBSWPTAEL-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](CC[C@H](C)N)C1 251703441 571821984 /nfs/dbraw/zinc/82/19/84/571821984.db2.gz JBZYSFBSWPTAEL-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CN[C@@H](C)CC[N@@H+]1CC[C@H](C)C1 251608055 571822021 /nfs/dbraw/zinc/82/20/21/571822021.db2.gz GRZDRGKEIMUMLJ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@@H](C)CC[N@H+]1CC[C@H](C)C1 251608055 571822023 /nfs/dbraw/zinc/82/20/23/571822023.db2.gz GRZDRGKEIMUMLJ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CC[C@H](C)C1 251608055 571822025 /nfs/dbraw/zinc/82/20/25/571822025.db2.gz 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C[NH2+][C@@H]1CCN(CCC(C)C)C[C@H]1C 251755533 571822153 /nfs/dbraw/zinc/82/21/53/571822153.db2.gz LNUDAJQUXAYHLM-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@H](C)CCN 251752965 571822345 /nfs/dbraw/zinc/82/23/45/571822345.db2.gz LLQAANFBYISBCY-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@H](C)CCN 251752965 571822348 /nfs/dbraw/zinc/82/23/48/571822348.db2.gz LLQAANFBYISBCY-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1CC[C@H](C)NC 251550617 571822513 /nfs/dbraw/zinc/82/25/13/571822513.db2.gz BBYIFSSCHGDQPU-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1CC[C@H](C)NC 251550617 571822516 /nfs/dbraw/zinc/82/25/16/571822516.db2.gz BBYIFSSCHGDQPU-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[NH2+]C[C@@H](C)CN1CC[C@H](C)C1 251697278 571822551 /nfs/dbraw/zinc/82/25/51/571822551.db2.gz NSDDGMCGDMMDDM-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H]1CC[N@H+](C[C@H](C)CNC)C1 251604799 571822622 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1.456 10 0 ADAEHO CC[C@@H]1CCC[N@H+](C[C@H](C)CNC)C1 251582632 571823052 /nfs/dbraw/zinc/82/30/52/571823052.db2.gz CJVXUBRTPNOQSU-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](C[C@H](C)CNC)C1 251582632 571823060 /nfs/dbraw/zinc/82/30/60/571823060.db2.gz CJVXUBRTPNOQSU-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H]1CCCN(C[C@H](C)C[NH2+]C)C1 251582632 571823065 /nfs/dbraw/zinc/82/30/65/571823065.db2.gz CJVXUBRTPNOQSU-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])CN[C@H]1C[C@H]1C 251734061 571823135 /nfs/dbraw/zinc/82/31/35/571823135.db2.gz FUMADMUBFKAOPJ-JLIMGVALSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1CC[C@H](C)N 251923754 571823388 /nfs/dbraw/zinc/82/33/88/571823388.db2.gz YRFNUQXKEYWZEF-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CCC[N@H+]1CC[C@H](C)N 251923754 571823393 /nfs/dbraw/zinc/82/33/93/571823393.db2.gz YRFNUQXKEYWZEF-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](C)N(C)CC[C@H](C)[NH2+]C 251959313 571823898 /nfs/dbraw/zinc/82/38/98/571823898.db2.gz VLVZSRNESCVLQS-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CC[C@H](C)NC 251959313 571823901 /nfs/dbraw/zinc/82/39/01/571823901.db2.gz VLVZSRNESCVLQS-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CC[C@H](C)NC 251959313 571823905 /nfs/dbraw/zinc/82/39/05/571823905.db2.gz VLVZSRNESCVLQS-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H]1CCCC[N@@H+]1[C@H](C)CCN 251843798 571823944 /nfs/dbraw/zinc/82/39/44/571823944.db2.gz RBNNQQQSRAJOPW-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H]1CCCC[N@H+]1[C@H](C)CCN 251843798 571823947 /nfs/dbraw/zinc/82/39/47/571823947.db2.gz RBNNQQQSRAJOPW-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCO[C@@H](C[NH3+])CN(C)[C@H](C)CC 251841145 571824843 /nfs/dbraw/zinc/82/48/43/571824843.db2.gz LLQJSHXSNFUBGW-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1N 251927607 571824870 /nfs/dbraw/zinc/82/48/70/571824870.db2.gz QVUFIYCNJPUOKR-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H]1N 251927607 571824875 /nfs/dbraw/zinc/82/48/75/571824875.db2.gz QVUFIYCNJPUOKR-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H]1CCC[C@H]1CN 252432971 571825032 /nfs/dbraw/zinc/82/50/32/571825032.db2.gz AZBASKATSPANLQ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H]1CCC[C@H]1CN 252432971 571825048 /nfs/dbraw/zinc/82/50/48/571825048.db2.gz AZBASKATSPANLQ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H](C)[N@H+](C)C[C@H](C)CNC 251840155 571825156 /nfs/dbraw/zinc/82/51/56/571825156.db2.gz LIKWOXLVYFAJEY-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@H](C)CNC 251840155 571825164 /nfs/dbraw/zinc/82/51/64/571825164.db2.gz LIKWOXLVYFAJEY-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@H](C)N(C)C[C@H](C)C[NH2+]C 251840155 571825169 /nfs/dbraw/zinc/82/51/69/571825169.db2.gz LIKWOXLVYFAJEY-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@@H]1CCN(CC[C@H]2CCC[NH2+]2)C1 251835818 571825312 /nfs/dbraw/zinc/82/53/12/571825312.db2.gz QIQYKKCXAHZWJP-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1[NH+]1CC(CN)C1 712563178 571825352 /nfs/dbraw/zinc/82/53/52/571825352.db2.gz MZCAHNGJYPLSTG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1N1CC(C[NH3+])C1 712563178 571825353 /nfs/dbraw/zinc/82/53/53/571825353.db2.gz MZCAHNGJYPLSTG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)CC[C@H](C)NC 251951907 571825473 /nfs/dbraw/zinc/82/54/73/571825473.db2.gz UORGSGFDIKBLFL-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C)CN1CC[C@H]([NH2+]C)[C@@H](C)C1 251862532 571825556 /nfs/dbraw/zinc/82/55/56/571825556.db2.gz OPJJNHRXLHPUBK-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CC[C@H](NC)[C@@H](C)C1 251862532 571825562 /nfs/dbraw/zinc/82/55/62/571825562.db2.gz OPJJNHRXLHPUBK-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@H+]1CC[C@H](NC)[C@@H](C)C1 251862532 571825568 /nfs/dbraw/zinc/82/55/68/571825568.db2.gz OPJJNHRXLHPUBK-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]([C@H](C)CCN)C1 251908950 571825696 /nfs/dbraw/zinc/82/56/96/571825696.db2.gz XNSYWHBXQRZDAW-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@H+]([C@H](C)CCN)C1 251908950 571825702 /nfs/dbraw/zinc/82/57/02/571825702.db2.gz XNSYWHBXQRZDAW-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1C[C@H](C)CNC 251911281 571825813 /nfs/dbraw/zinc/82/58/13/571825813.db2.gz XSKKWRGMZNMTCI-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCC[N@H+]1C[C@H](C)CNC 251911281 571825816 /nfs/dbraw/zinc/82/58/16/571825816.db2.gz XSKKWRGMZNMTCI-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)N(C)CC[C@H](C)[NH2+]C 251959310 571825892 /nfs/dbraw/zinc/82/58/92/571825892.db2.gz VLVZSRNESCVLQS-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H](C)[N@H+](C)CC[C@H](C)NC 251959310 571825897 /nfs/dbraw/zinc/82/58/97/571825897.db2.gz VLVZSRNESCVLQS-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CC[C@H](C)NC 251959310 571825899 /nfs/dbraw/zinc/82/58/99/571825899.db2.gz VLVZSRNESCVLQS-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@H](C)CCNC 251859270 571825928 /nfs/dbraw/zinc/82/59/28/571825928.db2.gz SOYQRWDSOLCFDV-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@H](C)CCNC 251859270 571825931 /nfs/dbraw/zinc/82/59/31/571825931.db2.gz SOYQRWDSOLCFDV-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@H](C)CNC 251911280 571826013 /nfs/dbraw/zinc/82/60/13/571826013.db2.gz XSKKWRGMZNMTCI-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@H](C)CNC 251911280 571826017 /nfs/dbraw/zinc/82/60/17/571826017.db2.gz XSKKWRGMZNMTCI-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@H](C)CCNC 251859272 571826302 /nfs/dbraw/zinc/82/63/02/571826302.db2.gz SOYQRWDSOLCFDV-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@H](C)CCNC 251859272 571826304 /nfs/dbraw/zinc/82/63/04/571826304.db2.gz SOYQRWDSOLCFDV-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCC[N@@H+]([C@H](C)CCN)C1 251908953 571826380 /nfs/dbraw/zinc/82/63/80/571826380.db2.gz XNSYWHBXQRZDAW-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCC[N@H+]([C@H](C)CCN)C1 251908953 571826382 /nfs/dbraw/zinc/82/63/82/571826382.db2.gz XNSYWHBXQRZDAW-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1N 251927609 571827788 /nfs/dbraw/zinc/82/77/88/571827788.db2.gz QVUFIYCNJPUOKR-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H]1N 251927609 571827790 /nfs/dbraw/zinc/82/77/90/571827790.db2.gz QVUFIYCNJPUOKR-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCC[C@H]1CNC 252021347 571826506 /nfs/dbraw/zinc/82/65/06/571826506.db2.gz XLBHGMYTQULJKK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCC[C@H]1CNC 252021347 571826509 /nfs/dbraw/zinc/82/65/09/571826509.db2.gz XLBHGMYTQULJKK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+](C[C@H](C)CN)C1 251875926 571826608 /nfs/dbraw/zinc/82/66/08/571826608.db2.gz UVGDAAHQJOENJX-NXEZZACHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C[C@H](C)CN)C1 251875926 571826610 /nfs/dbraw/zinc/82/66/10/571826610.db2.gz UVGDAAHQJOENJX-NXEZZACHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@H](C)CNC 251856887 571827796 /nfs/dbraw/zinc/82/77/96/571827796.db2.gz SJCMTVSSBRJQTI-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@H](C)CNC 251856887 571827798 /nfs/dbraw/zinc/82/77/98/571827798.db2.gz SJCMTVSSBRJQTI-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H]1CCC[C@@H]1[NH+]1CC(CN)C1 712563179 571826803 /nfs/dbraw/zinc/82/68/03/571826803.db2.gz MZCAHNGJYPLSTG-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H]1CCC[C@@H]1N1CC(C[NH3+])C1 712563179 571826804 /nfs/dbraw/zinc/82/68/04/571826804.db2.gz MZCAHNGJYPLSTG-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@H+](CC[C@H](C)N)C1 251918994 571826871 /nfs/dbraw/zinc/82/68/71/571826871.db2.gz YIXMEQNALFUKEU-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CC[C@H](C)N)C1 251918994 571826873 /nfs/dbraw/zinc/82/68/73/571826873.db2.gz YIXMEQNALFUKEU-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1CCN(CC[C@H]2CCC[NH2+]2)C1 251835816 571826931 /nfs/dbraw/zinc/82/69/31/571826931.db2.gz QIQYKKCXAHZWJP-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCC[C@H]1CCN 251958151 571827807 /nfs/dbraw/zinc/82/78/07/571827807.db2.gz VIFRDRVDBWKPGE-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCC[C@H]1CCN 251958151 571827809 /nfs/dbraw/zinc/82/78/09/571827809.db2.gz VIFRDRVDBWKPGE-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)CN1CC[C@@H]([NH2+]C)[C@H](C)C1 251862530 571827191 /nfs/dbraw/zinc/82/71/91/571827191.db2.gz OPJJNHRXLHPUBK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CC[C@@H](NC)[C@H](C)C1 251862530 571827193 /nfs/dbraw/zinc/82/71/93/571827193.db2.gz OPJJNHRXLHPUBK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@H+]1CC[C@@H](NC)[C@H](C)C1 251862530 571827196 /nfs/dbraw/zinc/82/71/96/571827196.db2.gz OPJJNHRXLHPUBK-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H]1CCC[C@H]1CN 252432970 571827324 /nfs/dbraw/zinc/82/73/24/571827324.db2.gz AZBASKATSPANLQ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H]1CCC[C@H]1CN 252432970 571827327 /nfs/dbraw/zinc/82/73/27/571827327.db2.gz AZBASKATSPANLQ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C)CN(C)CC[C@H](C)[NH2+]C 251951906 571828291 /nfs/dbraw/zinc/82/82/91/571828291.db2.gz UORGSGFDIKBLFL-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)CC[C@H](C)NC 251951906 571828292 /nfs/dbraw/zinc/82/82/92/571828292.db2.gz UORGSGFDIKBLFL-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H]1CC[N@H+](CC[C@H](C)N)C1 251918992 571827407 /nfs/dbraw/zinc/82/74/07/571827407.db2.gz YIXMEQNALFUKEU-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1CC[N@@H+](CC[C@H](C)N)C1 251918992 571827410 /nfs/dbraw/zinc/82/74/10/571827410.db2.gz YIXMEQNALFUKEU-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)CC[C@H](C)NC 251951906 571828294 /nfs/dbraw/zinc/82/82/94/571828294.db2.gz UORGSGFDIKBLFL-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCNC[C@@H](C)C[N@H+](C)[C@H](C)CC 251858401 571827657 /nfs/dbraw/zinc/82/76/57/571827657.db2.gz OBNBRXBPPUOLKU-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+](C)[C@H](C)CC 251858401 571827659 /nfs/dbraw/zinc/82/76/59/571827659.db2.gz OBNBRXBPPUOLKU-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN(C)[C@H](C)CC 251858401 571827662 /nfs/dbraw/zinc/82/76/62/571827662.db2.gz OBNBRXBPPUOLKU-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCC[C@H]1CCN 251958148 571827673 /nfs/dbraw/zinc/82/76/73/571827673.db2.gz VIFRDRVDBWKPGE-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCC[C@H]1CCN 251958148 571827677 /nfs/dbraw/zinc/82/76/77/571827677.db2.gz VIFRDRVDBWKPGE-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CN[C@@H](C)CC[N@@H+]1CCC[C@H]1C 252088178 571827817 /nfs/dbraw/zinc/82/78/17/571827817.db2.gz DDLTVFIWTSBLRB-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC(CC)[C@@H](C)[NH2+]CC1CNC1 710943827 571827819 /nfs/dbraw/zinc/82/78/19/571827819.db2.gz YEOLJYLIILATNY-SECBINFHSA-N 1 3 184.327 1.620 10 0 ADAEHO CN[C@@H](C)CC[N@H+]1CCC[C@H]1C 252088178 571827821 /nfs/dbraw/zinc/82/78/21/571827821.db2.gz DDLTVFIWTSBLRB-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCC[C@H]1C 252088178 571827822 /nfs/dbraw/zinc/82/78/22/571827822.db2.gz DDLTVFIWTSBLRB-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCC[C@H]([NH3+])CCN(C)C 78070886 571827898 /nfs/dbraw/zinc/82/78/98/571827898.db2.gz IAYOUJONLLDDSE-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@H]1CNC 252021345 571827988 /nfs/dbraw/zinc/82/79/88/571827988.db2.gz XLBHGMYTQULJKK-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+](C[C@H](C)NC)C1 251841325 571828345 /nfs/dbraw/zinc/82/83/45/571828345.db2.gz QVCVOGBZCSJZMN-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@H]1CNC 252021345 571827992 /nfs/dbraw/zinc/82/79/92/571827992.db2.gz XLBHGMYTQULJKK-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C[C@H](C)NC)C1 251841325 571828346 /nfs/dbraw/zinc/82/83/46/571828346.db2.gz QVCVOGBZCSJZMN-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CCC[C@H]1C 252104569 571828073 /nfs/dbraw/zinc/82/80/73/571828073.db2.gz GUQFEOTVLFTJOV-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CCC[C@H]1C 252104569 571828080 /nfs/dbraw/zinc/82/80/80/571828080.db2.gz GUQFEOTVLFTJOV-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H]1CC[N@H+](C[C@H](C)CN)C1 251875928 571828534 /nfs/dbraw/zinc/82/85/34/571828534.db2.gz UVGDAAHQJOENJX-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H]1CC[N@@H+](C[C@H](C)CN)C1 251875928 571828539 /nfs/dbraw/zinc/82/85/39/571828539.db2.gz UVGDAAHQJOENJX-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1N 251927608 571828548 /nfs/dbraw/zinc/82/85/48/571828548.db2.gz QVUFIYCNJPUOKR-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H]1N 251927608 571828552 /nfs/dbraw/zinc/82/85/52/571828552.db2.gz QVUFIYCNJPUOKR-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@H](C)CNC 251856886 571828613 /nfs/dbraw/zinc/82/86/13/571828613.db2.gz SJCMTVSSBRJQTI-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@H](C)CNC 251856886 571828617 /nfs/dbraw/zinc/82/86/17/571828617.db2.gz SJCMTVSSBRJQTI-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 252216483 571828990 /nfs/dbraw/zinc/82/89/90/571828990.db2.gz XVIBMDSPRZQAAH-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CCC[C@H](C)C1 252216483 571828994 /nfs/dbraw/zinc/82/89/94/571828994.db2.gz XVIBMDSPRZQAAH-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCC[C@H](C)C1 252216483 571828997 /nfs/dbraw/zinc/82/89/97/571828997.db2.gz XVIBMDSPRZQAAH-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CC[C@H](C)C[C@@H]1C 252189857 571829173 /nfs/dbraw/zinc/82/91/73/571829173.db2.gz RKXWWWNQNUAZGV-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CC[C@H](C)C[C@@H]1C 252189857 571829176 /nfs/dbraw/zinc/82/91/76/571829176.db2.gz RKXWWWNQNUAZGV-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CC[C@H](C)C[C@@H]1C 252189857 571829180 /nfs/dbraw/zinc/82/91/80/571829180.db2.gz RKXWWWNQNUAZGV-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H](C)N(C)C[C@H](C)C(N)=[NH2+] 252414260 571829251 /nfs/dbraw/zinc/82/92/51/571829251.db2.gz QGUGFADKWOSDCM-DTWKUNHWSA-N 1 3 185.315 1.535 10 0 ADAEHO CC(C)[C@@H](C)[N@H+](C)C[C@H](C)CN 252417430 571832955 /nfs/dbraw/zinc/83/29/55/571832955.db2.gz UKZMSRZTVZZWPW-NXEZZACHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+](C)C[C@H](C)CN 252417430 571832960 /nfs/dbraw/zinc/83/29/60/571832960.db2.gz UKZMSRZTVZZWPW-NXEZZACHSA-N 1 3 172.316 1.558 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1C 252128287 571829920 /nfs/dbraw/zinc/82/99/20/571829920.db2.gz KJJFTFOKKQZXAK-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1C 252128287 571829923 /nfs/dbraw/zinc/82/99/23/571829923.db2.gz KJJFTFOKKQZXAK-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC(CC)[C@H](C)[NH2+]CC1CNC1 710943828 571830081 /nfs/dbraw/zinc/83/00/81/571830081.db2.gz YEOLJYLIILATNY-VIFPVBQESA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H](C)[N@H+](C)CC[C@H](C)N 252404684 571830111 /nfs/dbraw/zinc/83/01/11/571830111.db2.gz DBHKXBNMDQAPKC-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+](C)CC[C@H](C)N 252404684 571830113 /nfs/dbraw/zinc/83/01/13/571830113.db2.gz DBHKXBNMDQAPKC-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCCC(C)(C)C1 78539064 571830214 /nfs/dbraw/zinc/83/02/14/571830214.db2.gz SISSFXLFZHAAAZ-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)C[C@H](C)CN 252417431 571830234 /nfs/dbraw/zinc/83/02/34/571830234.db2.gz UKZMSRZTVZZWPW-ZJUUUORDSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)C[C@H](C)CN 252417431 571830237 /nfs/dbraw/zinc/83/02/37/571830237.db2.gz UKZMSRZTVZZWPW-ZJUUUORDSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@H]1CCC[C@H]1CN 252405110 571833264 /nfs/dbraw/zinc/83/32/64/571833264.db2.gz DKLLZACFYUSLBG-USWWRNFRSA-N 1 3 196.338 1.844 10 0 ADAEHO CNCC[C@@H]1CCCC[N@@H+]1CC1CC1 78513899 571830395 /nfs/dbraw/zinc/83/03/95/571830395.db2.gz ZEPCLYCEJLSWKJ-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC[C@@H]1CCCC[N@H+]1CC1CC1 78513899 571830401 /nfs/dbraw/zinc/83/04/01/571830401.db2.gz ZEPCLYCEJLSWKJ-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCN([C@H]2C[C@@H]2C)C1 252214508 571830427 /nfs/dbraw/zinc/83/04/27/571830427.db2.gz YWPBGYXOOUOHJC-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@H]1CCC[C@H]1CN 252405110 571833267 /nfs/dbraw/zinc/83/32/67/571833267.db2.gz DKLLZACFYUSLBG-USWWRNFRSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@@H](CC)N1CC(C[NH3+])C1 712562478 571830599 /nfs/dbraw/zinc/83/05/99/571830599.db2.gz FKVRXFHFZBTPQL-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](CC)[NH+]1CC(CN)C1 712562478 571830601 /nfs/dbraw/zinc/83/06/01/571830601.db2.gz FKVRXFHFZBTPQL-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H]([NH3+])CN1CCC[C@H]1CC 252418645 571830717 /nfs/dbraw/zinc/83/07/17/571830717.db2.gz WFXWXRQCLNUVHP-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H]([NH3+])CCN(C)C 78070888 571830776 /nfs/dbraw/zinc/83/07/76/571830776.db2.gz IAYOUJONLLDDSE-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO C[C@@H]1C[C@H]1NCC[C@H]1CCC[NH2+]1 252216919 571833381 /nfs/dbraw/zinc/83/33/81/571833381.db2.gz ZKTPUDHQXRDNEF-OPRDCNLKSA-N 1 3 168.284 1.127 10 0 ADAEHO CNCC[C@H]1CCCC[N@@H+]1CC1CC1 78513901 571830933 /nfs/dbraw/zinc/83/09/33/571830933.db2.gz ZEPCLYCEJLSWKJ-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC[C@H]1CCCC[N@H+]1CC1CC1 78513901 571830935 /nfs/dbraw/zinc/83/09/35/571830935.db2.gz ZEPCLYCEJLSWKJ-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)C[C@H](C)CN 252420599 571830962 /nfs/dbraw/zinc/83/09/62/571830962.db2.gz YDKJRTNTGVLJOI-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)C[C@H](C)CN 252420599 571830965 /nfs/dbraw/zinc/83/09/65/571830965.db2.gz YDKJRTNTGVLJOI-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H](CN)C[N@H+](C)[C@H](C)C1CC1 252409856 571831042 /nfs/dbraw/zinc/83/10/42/571831042.db2.gz KVQQOOONPCBDQD-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)[C@H](C)C1CC1 252409856 571831044 /nfs/dbraw/zinc/83/10/44/571831044.db2.gz KVQQOOONPCBDQD-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CCCC[C@H]1N(C)CCC(N)=[NH2+] 252138991 571831059 /nfs/dbraw/zinc/83/10/59/571831059.db2.gz LXOGYXNHBSBVHS-NXEZZACHSA-N 1 3 197.326 1.823 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCCC(C)(C)C1 78539056 571831157 /nfs/dbraw/zinc/83/11/57/571831157.db2.gz SISSFXLFZHAAAZ-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)[C@H](C)C1CC1 252419964 571831244 /nfs/dbraw/zinc/83/12/44/571831244.db2.gz XAYCUNMPNSWENR-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)[C@H](C)C1CC1 252419964 571831248 /nfs/dbraw/zinc/83/12/48/571831248.db2.gz XAYCUNMPNSWENR-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCN([C@H]2C[C@H]2C)C1 252214509 571832051 /nfs/dbraw/zinc/83/20/51/571832051.db2.gz YWPBGYXOOUOHJC-WOPDTQHZSA-N 1 3 196.338 1.715 10 0 ADAEHO CCC[C@H](C)[N@H+](C)CC[C@H](C)N 252411250 571831467 /nfs/dbraw/zinc/83/14/67/571831467.db2.gz MORSOXQBUNXWOY-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)CC[C@H](C)N 252411250 571831472 /nfs/dbraw/zinc/83/14/72/571831472.db2.gz MORSOXQBUNXWOY-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@H](C)N(C)CC[C@H](C)[NH3+] 252411250 571831475 /nfs/dbraw/zinc/83/14/75/571831475.db2.gz MORSOXQBUNXWOY-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@H](CC1CCC1)N1CC(C[NH3+])C1 712562542 571831621 /nfs/dbraw/zinc/83/16/21/571831621.db2.gz GTUXYSVICJYEDG-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](N)CC[N@H+](C)[C@H](C)C1CC1 252408645 571831760 /nfs/dbraw/zinc/83/17/60/571831760.db2.gz JGYWLZGEULZNDN-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)[C@H](C)C1CC1 252408645 571831764 /nfs/dbraw/zinc/83/17/64/571831764.db2.gz JGYWLZGEULZNDN-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])CCN(C)[C@H](C)C1CC1 252408645 571831770 /nfs/dbraw/zinc/83/17/70/571831770.db2.gz JGYWLZGEULZNDN-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)[C@H](C)C1CC1 252419965 571831871 /nfs/dbraw/zinc/83/18/71/571831871.db2.gz XAYCUNMPNSWENR-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)[C@H](C)C1CC1 252419965 571831873 /nfs/dbraw/zinc/83/18/73/571831873.db2.gz XAYCUNMPNSWENR-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CC1CCC1)N1CC(C[NH3+])C1 712562545 571832036 /nfs/dbraw/zinc/83/20/36/571832036.db2.gz GTUXYSVICJYEDG-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[C@@H]([NH3+])CN1CCC[C@H]1CC 252418643 571832093 /nfs/dbraw/zinc/83/20/93/571832093.db2.gz WFXWXRQCLNUVHP-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)CC[C@H](C)N 252404682 571832102 /nfs/dbraw/zinc/83/21/02/571832102.db2.gz DBHKXBNMDQAPKC-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)CC[C@H](C)N 252404682 571832106 /nfs/dbraw/zinc/83/21/06/571832106.db2.gz DBHKXBNMDQAPKC-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CNCC[C@@H](C)[N@@H+]1CCC[C@H]1C 252381394 571832140 /nfs/dbraw/zinc/83/21/40/571832140.db2.gz CRNOCDWFZXDBBK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CNCC[C@@H](C)[N@H+]1CCC[C@H]1C 252381394 571832144 /nfs/dbraw/zinc/83/21/44/571832144.db2.gz CRNOCDWFZXDBBK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@H]1CCC[C@@H]1CN 252405108 571832271 /nfs/dbraw/zinc/83/22/71/571832271.db2.gz DKLLZACFYUSLBG-JLLWLGSASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@H]1CCC[C@@H]1CN 252405108 571832275 /nfs/dbraw/zinc/83/22/75/571832275.db2.gz DKLLZACFYUSLBG-JLLWLGSASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](CN(C)[C@H](C)C1CC1)C(N)=[NH2+] 252417499 571832354 /nfs/dbraw/zinc/83/23/54/571832354.db2.gz UPHUOXSETUAOBJ-HTQZYQBOSA-N 1 3 183.299 1.289 10 0 ADAEHO CCC[C@H](CC)N1CC(C[NH3+])C1 712562474 571832390 /nfs/dbraw/zinc/83/23/90/571832390.db2.gz FKVRXFHFZBTPQL-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](CC)[NH+]1CC(CN)C1 712562474 571832393 /nfs/dbraw/zinc/83/23/93/571832393.db2.gz FKVRXFHFZBTPQL-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CCC[C@H](C)CC1 252210709 571832646 /nfs/dbraw/zinc/83/26/46/571832646.db2.gz WGBXWZOPWDABKY-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CCC[C@H](C)CC1 252210709 571832650 /nfs/dbraw/zinc/83/26/50/571832650.db2.gz WGBXWZOPWDABKY-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CCCC[C@H]1C 252381688 571832875 /nfs/dbraw/zinc/83/28/75/571832875.db2.gz NUCPRCYKUMWTSF-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN[C@H]1C[C@H]1C 252194720 571832744 /nfs/dbraw/zinc/83/27/44/571832744.db2.gz VJGVYHRPHSFNIM-UTLUCORTSA-N 1 3 170.300 1.358 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCCC[C@H]1C 252381688 571832879 /nfs/dbraw/zinc/83/28/79/571832879.db2.gz NUCPRCYKUMWTSF-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H](CN(C)[C@H](C)C1CC1)C(N)=[NH2+] 252417500 571832774 /nfs/dbraw/zinc/83/27/74/571832774.db2.gz UPHUOXSETUAOBJ-JGVFFNPUSA-N 1 3 183.299 1.289 10 0 ADAEHO C[C@@H]1C[C@@H]1NCC[C@H]1CCC[NH2+]1 252216918 571832791 /nfs/dbraw/zinc/83/27/91/571832791.db2.gz ZKTPUDHQXRDNEF-BBBLOLIVSA-N 1 3 168.284 1.127 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN[C@@H]1C[C@H]1C 252194718 571832814 /nfs/dbraw/zinc/83/28/14/571832814.db2.gz VJGVYHRPHSFNIM-KXUCPTDWSA-N 1 3 170.300 1.358 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CCCC[C@H]1C 252381688 571832874 /nfs/dbraw/zinc/83/28/74/571832874.db2.gz NUCPRCYKUMWTSF-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCN([C@@H]2C[C@H]2C)C1 252214507 571832905 /nfs/dbraw/zinc/83/29/05/571832905.db2.gz YWPBGYXOOUOHJC-GRYCIOLGSA-N 1 3 196.338 1.715 10 0 ADAEHO CNCC[C@@H](C)[N@H+]1CCC[C@H](C)C1 252139579 571833359 /nfs/dbraw/zinc/83/33/59/571833359.db2.gz MANKMGAAGYMOOC-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 252139579 571833358 /nfs/dbraw/zinc/83/33/58/571833358.db2.gz MANKMGAAGYMOOC-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)[C@H](C)C1CC1 252408646 571833767 /nfs/dbraw/zinc/83/37/67/571833767.db2.gz JGYWLZGEULZNDN-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@H](C)[N@H+](C)C[C@H](C)CN 252420600 571833556 /nfs/dbraw/zinc/83/35/56/571833556.db2.gz YDKJRTNTGVLJOI-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)C[C@H](C)CN 252420600 571833557 /nfs/dbraw/zinc/83/35/57/571833557.db2.gz YDKJRTNTGVLJOI-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)[C@H](C)C1CC1 252408646 571833761 /nfs/dbraw/zinc/83/37/61/571833761.db2.gz JGYWLZGEULZNDN-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@@H]1CCC[C@H]1CN 252405105 571833671 /nfs/dbraw/zinc/83/36/71/571833671.db2.gz DKLLZACFYUSLBG-ADEWGFFLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@H]1CN 252405105 571833677 /nfs/dbraw/zinc/83/36/77/571833677.db2.gz DKLLZACFYUSLBG-ADEWGFFLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)[C@H](C)C1CC1 252408646 571833763 /nfs/dbraw/zinc/83/37/63/571833763.db2.gz JGYWLZGEULZNDN-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)CC[C@H](C)N 252411252 571833821 /nfs/dbraw/zinc/83/38/21/571833821.db2.gz MORSOXQBUNXWOY-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)CC[C@H](C)N 252411252 571833823 /nfs/dbraw/zinc/83/38/23/571833823.db2.gz MORSOXQBUNXWOY-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@H](C)N(C)CC[C@H](C)[NH3+] 252411252 571833826 /nfs/dbraw/zinc/83/38/26/571833826.db2.gz MORSOXQBUNXWOY-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)C[N@H+](C)CC[C@H](C)N 252435407 571834429 /nfs/dbraw/zinc/83/44/29/571834429.db2.gz JSMTXNFQMMHMMA-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)CC[C@H](C)N 252435407 571834432 /nfs/dbraw/zinc/83/44/32/571834432.db2.gz JSMTXNFQMMHMMA-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)CN(C)CC[C@H](C)[NH3+] 252435407 571834434 /nfs/dbraw/zinc/83/44/34/571834434.db2.gz JSMTXNFQMMHMMA-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)CC[C@H](C)N 252435983 571834519 /nfs/dbraw/zinc/83/45/19/571834519.db2.gz MLRNYLRWBNILGD-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)CC[C@H](C)N 252435983 571834522 /nfs/dbraw/zinc/83/45/22/571834522.db2.gz MLRNYLRWBNILGD-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](CC)[C@H](C)CCN 252438397 571834702 /nfs/dbraw/zinc/83/47/02/571834702.db2.gz AXJUKTOGHRUQMS-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)[C@H](C)CCN 252438397 571834705 /nfs/dbraw/zinc/83/47/05/571834705.db2.gz AXJUKTOGHRUQMS-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CNC1 686225349 571834722 /nfs/dbraw/zinc/83/47/22/571834722.db2.gz HPFUPAHHHRNHOR-MWLCHTKSSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C1CNC1 686225348 571834757 /nfs/dbraw/zinc/83/47/57/571834757.db2.gz HPFUPAHHHRNHOR-KOLCDFICSA-N 1 3 196.338 1.763 10 0 ADAEHO CCN(C)C[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C 252457934 571837440 /nfs/dbraw/zinc/83/74/40/571837440.db2.gz BEMVKQZBMOIGNJ-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)N(C)[C@H](CC)CC(N)=[NH2+] 252436528 571834903 /nfs/dbraw/zinc/83/49/03/571834903.db2.gz PNWDHLYFXFUYCA-RKDXNWHRSA-N 1 3 185.315 1.821 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@H](C)CCN 252438655 571835432 /nfs/dbraw/zinc/83/54/32/571835432.db2.gz FDQYMHHAPNVQAI-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@H](C)CCN 252438655 571835435 /nfs/dbraw/zinc/83/54/35/571835435.db2.gz FDQYMHHAPNVQAI-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N(C)[C@H](C)C1CC1 252439952 571835571 /nfs/dbraw/zinc/83/55/71/571835571.db2.gz VFGDVZVVAVBNOH-JGVFFNPUSA-N 1 3 183.299 1.431 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)[C@H](C)CCN 252438396 571835607 /nfs/dbraw/zinc/83/56/07/571835607.db2.gz AXJUKTOGHRUQMS-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)[C@H](C)CCN 252438396 571835610 /nfs/dbraw/zinc/83/56/10/571835610.db2.gz AXJUKTOGHRUQMS-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C1CNC1 686225350 571835616 /nfs/dbraw/zinc/83/56/16/571835616.db2.gz HPFUPAHHHRNHOR-ONGXEEELSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1CN 252435867 571835868 /nfs/dbraw/zinc/83/58/68/571835868.db2.gz LUJSWOGFDROTGS-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1CN 252435867 571835870 /nfs/dbraw/zinc/83/58/70/571835870.db2.gz LUJSWOGFDROTGS-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[N@H+](C)C[C@H](C)CN 252435758 571836035 /nfs/dbraw/zinc/83/60/35/571836035.db2.gz LEPDTOFIEBFZLT-VHSXEESVSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)C[C@H](C)CN 252435758 571836038 /nfs/dbraw/zinc/83/60/38/571836038.db2.gz LEPDTOFIEBFZLT-VHSXEESVSA-N 1 3 172.316 1.559 10 0 ADAEHO CCN(C)C[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C 252457933 571836066 /nfs/dbraw/zinc/83/60/66/571836066.db2.gz BEMVKQZBMOIGNJ-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[N@H+](C)CC[C@H](C)N 252437934 571836198 /nfs/dbraw/zinc/83/61/98/571836198.db2.gz YMQBZZJCTWOXCX-IUCAKERBSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CC[C@H](C)N 252437934 571836200 /nfs/dbraw/zinc/83/62/00/571836200.db2.gz YMQBZZJCTWOXCX-IUCAKERBSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](C)N(C)CC[C@H](C)[NH3+] 252437934 571836202 /nfs/dbraw/zinc/83/62/02/571836202.db2.gz YMQBZZJCTWOXCX-IUCAKERBSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H](C)N(CC)C[C@H](C)C(N)=[NH2+] 252433565 571836222 /nfs/dbraw/zinc/83/62/22/571836222.db2.gz CUPFELWDPPZUET-DTWKUNHWSA-N 1 3 185.315 1.679 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)CC[C@H](C)N 252435408 571836389 /nfs/dbraw/zinc/83/63/89/571836389.db2.gz JSMTXNFQMMHMMA-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)CC[C@H](C)N 252435408 571836392 /nfs/dbraw/zinc/83/63/92/571836392.db2.gz JSMTXNFQMMHMMA-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)CN(C)CC[C@H](C)[NH3+] 252435408 571836394 /nfs/dbraw/zinc/83/63/94/571836394.db2.gz JSMTXNFQMMHMMA-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1CN 252435866 571836404 /nfs/dbraw/zinc/83/64/04/571836404.db2.gz LUJSWOGFDROTGS-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1CN 252435866 571836408 /nfs/dbraw/zinc/83/64/08/571836408.db2.gz LUJSWOGFDROTGS-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H](CC)CCN 252435441 571837866 /nfs/dbraw/zinc/83/78/66/571837866.db2.gz JWCMQLHBXNRJSU-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H](CC)CCN 252435441 571837868 /nfs/dbraw/zinc/83/78/68/571837868.db2.gz JWCMQLHBXNRJSU-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](CC)CC[C@H](C)N 252435982 571836772 /nfs/dbraw/zinc/83/67/72/571836772.db2.gz MLRNYLRWBNILGD-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)CC[C@H](C)N 252435982 571836775 /nfs/dbraw/zinc/83/67/75/571836775.db2.gz MLRNYLRWBNILGD-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@H](C)N(C)[C@H](C)CC(N)=[NH2+] 252439233 571836832 /nfs/dbraw/zinc/83/68/32/571836832.db2.gz MBRIBKWYSFIZIU-RKDXNWHRSA-N 1 3 185.315 1.821 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C1CNC1 686225345 571836836 /nfs/dbraw/zinc/83/68/36/571836836.db2.gz HPFUPAHHHRNHOR-GXSJLCMTSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H]1C)C1CNC1 686225181 571836918 /nfs/dbraw/zinc/83/69/18/571836918.db2.gz CSKVBAJAJOEYKG-SVDPJWKOSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H](CCN)[N@H+](C)[C@H](C)C1CC1 252439208 571836934 /nfs/dbraw/zinc/83/69/34/571836934.db2.gz LTTMRECKXYBRHH-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)[C@H](C)C1CC1 252439208 571836939 /nfs/dbraw/zinc/83/69/39/571836939.db2.gz LTTMRECKXYBRHH-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CC[NH3+])CN1CCC[C@H](F)C1 689418587 571837892 /nfs/dbraw/zinc/83/78/92/571837892.db2.gz FKAHNMVJAHZODG-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO CC[C@@H](C)N(C)[C@H](C)CC(N)=[NH2+] 252439140 571837201 /nfs/dbraw/zinc/83/72/01/571837201.db2.gz KYSZJFXWSICTCJ-HTQZYQBOSA-N 1 3 171.288 1.431 10 0 ADAEHO C[C@@H](CC[NH3+])CN1CCC[C@@H](F)C1 689418584 571837253 /nfs/dbraw/zinc/83/72/53/571837253.db2.gz FKAHNMVJAHZODG-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H]1C)C1CNC1 686225179 571837260 /nfs/dbraw/zinc/83/72/60/571837260.db2.gz CSKVBAJAJOEYKG-BFLSOPEQSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@H](C)C2CNC2)CC[C@H]1C 686225180 571837274 /nfs/dbraw/zinc/83/72/74/571837274.db2.gz CSKVBAJAJOEYKG-KLBPJQLPSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H](C)[N@H+](CC)C[C@H](C)CN 252434473 571837313 /nfs/dbraw/zinc/83/73/13/571837313.db2.gz FRYYIHSWQMFLLZ-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)C[C@H](C)CN 252434473 571837316 /nfs/dbraw/zinc/83/73/16/571837316.db2.gz FRYYIHSWQMFLLZ-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H]1C)C1CNC1 686225182 571837346 /nfs/dbraw/zinc/83/73/46/571837346.db2.gz CSKVBAJAJOEYKG-WDCWCFNPSA-N 1 3 196.338 1.619 10 0 ADAEHO CCC[C@H](C)[N@H+](C)[C@H](C)CCN 252438622 571837476 /nfs/dbraw/zinc/83/74/76/571837476.db2.gz DUJRYFQSCZZDCW-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)[C@H](C)CCN 252438622 571837478 /nfs/dbraw/zinc/83/74/78/571837478.db2.gz DUJRYFQSCZZDCW-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@@H](CC[NH3+])CN1CCC[C@H](F)C1 689418580 571837513 /nfs/dbraw/zinc/83/75/13/571837513.db2.gz FKAHNMVJAHZODG-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H](CC[NH3+])CN1CCC[C@@H](F)C1 689418578 571837530 /nfs/dbraw/zinc/83/75/30/571837530.db2.gz FKAHNMVJAHZODG-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)[C@H](C)C1CC1 252439207 571837567 /nfs/dbraw/zinc/83/75/67/571837567.db2.gz LTTMRECKXYBRHH-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)[C@H](C)C1CC1 252439207 571837572 /nfs/dbraw/zinc/83/75/72/571837572.db2.gz LTTMRECKXYBRHH-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)C[C@H](C)CN 252435757 571837603 /nfs/dbraw/zinc/83/76/03/571837603.db2.gz LEPDTOFIEBFZLT-NXEZZACHSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)C[C@H](C)CN 252435757 571837607 /nfs/dbraw/zinc/83/76/07/571837607.db2.gz LEPDTOFIEBFZLT-NXEZZACHSA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@H](C)CCN 252440220 571837686 /nfs/dbraw/zinc/83/76/86/571837686.db2.gz YKWJGGQNBMCAFR-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@H](C)CCN 252440220 571837690 /nfs/dbraw/zinc/83/76/90/571837690.db2.gz YKWJGGQNBMCAFR-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@@H](C)N(C)[C@H](C)CC(N)=[NH2+] 252439984 571837704 /nfs/dbraw/zinc/83/77/04/571837704.db2.gz VSCWKXLTRJZYRJ-RKDXNWHRSA-N 1 3 185.315 1.677 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@H](C)CCN 252438656 571838289 /nfs/dbraw/zinc/83/82/89/571838289.db2.gz FDQYMHHAPNVQAI-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@H](C)CCN 252438656 571838292 /nfs/dbraw/zinc/83/82/92/571838292.db2.gz FDQYMHHAPNVQAI-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1CN 252435868 571838375 /nfs/dbraw/zinc/83/83/75/571838375.db2.gz LUJSWOGFDROTGS-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1CN 252435868 571838378 /nfs/dbraw/zinc/83/83/78/571838378.db2.gz LUJSWOGFDROTGS-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CCC[C@H]1CN 252436148 571838455 /nfs/dbraw/zinc/83/84/55/571838455.db2.gz NKRDZKANPLGCMY-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CCC[C@H]1CN 252436148 571838457 /nfs/dbraw/zinc/83/84/57/571838457.db2.gz NKRDZKANPLGCMY-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@H](CC)CCN 252435440 571838581 /nfs/dbraw/zinc/83/85/81/571838581.db2.gz JWCMQLHBXNRJSU-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@H](CC)CCN 252435440 571838585 /nfs/dbraw/zinc/83/85/85/571838585.db2.gz JWCMQLHBXNRJSU-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CCC[C@H]1CN 252436149 571838604 /nfs/dbraw/zinc/83/86/04/571838604.db2.gz NKRDZKANPLGCMY-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CCC[C@H]1CN 252436149 571838607 /nfs/dbraw/zinc/83/86/07/571838607.db2.gz NKRDZKANPLGCMY-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)C[C@@H]([NH3+])CNC1CCC1 257953930 571839036 /nfs/dbraw/zinc/83/90/36/571839036.db2.gz ARGIBWXEDSLROF-SECBINFHSA-N 1 3 184.327 1.892 10 0 ADAEHO CCCCC[NH2+]CCC(C)(C)N 258678758 571839555 /nfs/dbraw/zinc/83/95/55/571839555.db2.gz IFBZINVWASUEJZ-UHFFFAOYSA-N 1 3 172.316 1.894 10 0 ADAEHO CN[C@H]1C[C@@H]([NH2+]C)CC(C)(C)C1 38274104 571840058 /nfs/dbraw/zinc/84/00/58/571840058.db2.gz YHRBRNIBRGSGGJ-DTORHVGOSA-N 1 3 170.300 1.373 10 0 ADAEHO CN[C@@H]1C[C@H]([NH2+]C)CC(C)(C)C1 38274104 571840061 /nfs/dbraw/zinc/84/00/61/571840061.db2.gz YHRBRNIBRGSGGJ-DTORHVGOSA-N 1 3 170.300 1.373 10 0 ADAEHO C[NH2+]C(C)(C)CNCCC(C)C 258568756 571840214 /nfs/dbraw/zinc/84/02/14/571840214.db2.gz CQBQXXUCKYUIDY-UHFFFAOYSA-N 1 3 172.316 1.620 10 0 ADAEHO C/C=C/CCNC1(C[NH3+])CC(OC)C1 234639930 571840227 /nfs/dbraw/zinc/84/02/27/571840227.db2.gz WNQUIHPQPPYPKP-ONEGZZNKSA-N 1 3 198.310 1.049 10 0 ADAEHO CN[C@@H]1C[C@@H]([NH2+]C)CC(C)(C)C1 38282332 571841166 /nfs/dbraw/zinc/84/11/66/571841166.db2.gz YHRBRNIBRGSGGJ-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO CN[C@H]1C[C@H]([NH2+]C)CC(C)(C)C1 38282331 571842511 /nfs/dbraw/zinc/84/25/11/571842511.db2.gz YHRBRNIBRGSGGJ-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCNCC1 233910912 571842691 /nfs/dbraw/zinc/84/26/91/571842691.db2.gz KHJKDSKHHBKGPX-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1C[C@H]1N[C@@H]1CCC[NH2+]CC1 233910912 571842694 /nfs/dbraw/zinc/84/26/94/571842694.db2.gz KHJKDSKHHBKGPX-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@H]1[NH+]1CC(CN)C1 712576414 571845279 /nfs/dbraw/zinc/84/52/79/571845279.db2.gz XJIUKBPXQCGDFQ-MWLCHTKSSA-N 1 3 196.338 1.702 10 0 ADAEHO CCN1CC[C@@H]1CNc1cc[nH+]cc1 712580815 571842797 /nfs/dbraw/zinc/84/27/97/571842797.db2.gz JVJPZRALYDVYPK-LLVKDONJSA-N 1 3 191.278 1.010 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC1CCCC1 258823541 571842821 /nfs/dbraw/zinc/84/28/21/571842821.db2.gz UMKRZFBWAQCIOY-VIFPVBQESA-N 1 3 170.300 1.361 10 0 ADAEHO CC(C)(CN)C[NH2+]CC1CCC1 258858776 571842976 /nfs/dbraw/zinc/84/29/76/571842976.db2.gz YGLWSFREJGGTAU-UHFFFAOYSA-N 1 3 170.300 1.361 10 0 ADAEHO CC[C@H](CC1CC1)[NH2+][C@@H](C)C1CNC1 686225598 571843240 /nfs/dbraw/zinc/84/32/40/571843240.db2.gz NLGKXPALNXJWKG-JOYOIKCWSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](CC1CC1)[NH2+][C@H](C)C1CNC1 686225594 571843399 /nfs/dbraw/zinc/84/33/99/571843399.db2.gz NLGKXPALNXJWKG-BXKDBHETSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@@H]1[NH+]1CC(CN)C1 712576411 571843453 /nfs/dbraw/zinc/84/34/53/571843453.db2.gz XJIUKBPXQCGDFQ-KOLCDFICSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@H]1[NH+]1CC(CN)C1 712576408 571843493 /nfs/dbraw/zinc/84/34/93/571843493.db2.gz XJIUKBPXQCGDFQ-GXSJLCMTSA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)CCC[C@H]([NH+]2CC(CN)C2)C1 712575923 571843608 /nfs/dbraw/zinc/84/36/08/571843608.db2.gz QJZXNKUTRMVZNI-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@H](N2CC(C[NH3+])C2)C1 712575923 571843616 /nfs/dbraw/zinc/84/36/16/571843616.db2.gz QJZXNKUTRMVZNI-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@@H]1[NH+]1CC(CN)C1 712576416 571843858 /nfs/dbraw/zinc/84/38/58/571843858.db2.gz XJIUKBPXQCGDFQ-ONGXEEELSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@@H](CC1CC1)[NH2+][C@@H](C)C1CNC1 686225596 571844133 /nfs/dbraw/zinc/84/41/33/571844133.db2.gz NLGKXPALNXJWKG-CABZTGNLSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 233915711 571844538 /nfs/dbraw/zinc/84/45/38/571844538.db2.gz LUSIDYRROGDTPI-KYXWUPHJSA-N 1 3 168.284 1.254 10 0 ADAEHO CC[C@@H]1C[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 233915711 571844539 /nfs/dbraw/zinc/84/45/39/571844539.db2.gz LUSIDYRROGDTPI-KYXWUPHJSA-N 1 3 168.284 1.254 10 0 ADAEHO CCCC[C@@H](C[NH3+])N1CCC2(CC2)C1 400020419 571845042 /nfs/dbraw/zinc/84/50/42/571845042.db2.gz BVVMJIXYZHPPBD-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CCN1CC[C@H]1CNc1cc[nH+]cc1 712580820 571845350 /nfs/dbraw/zinc/84/53/50/571845350.db2.gz JVJPZRALYDVYPK-NSHDSACASA-N 1 3 191.278 1.010 10 0 ADAEHO CC[C@@H](CC1CC1)[NH2+][C@H](C)C1CNC1 686225599 571845581 /nfs/dbraw/zinc/84/55/81/571845581.db2.gz NLGKXPALNXJWKG-SKDRFNHKSA-N 1 3 196.338 1.763 10 0 ADAEHO CCCC[C@H](C[NH3+])N1CCC2(CC2)C1 400020415 571845603 /nfs/dbraw/zinc/84/56/03/571845603.db2.gz BVVMJIXYZHPPBD-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 233915500 571845876 /nfs/dbraw/zinc/84/58/76/571845876.db2.gz SBJXOXLHPWAQNI-DBIOUOCHSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 233915500 571845878 /nfs/dbraw/zinc/84/58/78/571845878.db2.gz SBJXOXLHPWAQNI-DBIOUOCHSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1SCC[C@H]1N(C)CCC[NH3+] 235365789 571846264 /nfs/dbraw/zinc/84/62/64/571846264.db2.gz QJOBHZYLBIBIGB-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1SCC[C@H]1[N@H+](C)CCCN 235365789 571846268 /nfs/dbraw/zinc/84/62/68/571846268.db2.gz QJOBHZYLBIBIGB-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1SCC[C@H]1[N@@H+](C)CCCN 235365789 571846273 /nfs/dbraw/zinc/84/62/73/571846273.db2.gz QJOBHZYLBIBIGB-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCNCC1 233915439 571846324 /nfs/dbraw/zinc/84/63/24/571846324.db2.gz KHJKDSKHHBKGPX-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1C[C@@H]1N[C@@H]1CCC[NH2+]CC1 233915439 571846326 /nfs/dbraw/zinc/84/63/26/571846326.db2.gz KHJKDSKHHBKGPX-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC1(CC)C[NH2+]CC[C@@H]1N 38386827 571846414 /nfs/dbraw/zinc/84/64/14/571846414.db2.gz JPIIHMKDXDQRGO-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC1(CC)CNCC[C@@H]1[NH3+] 38386827 571846415 /nfs/dbraw/zinc/84/64/15/571846415.db2.gz JPIIHMKDXDQRGO-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC1(CC)C[NH2+]CC[C@H]1N 38386829 571847596 /nfs/dbraw/zinc/84/75/96/571847596.db2.gz JPIIHMKDXDQRGO-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC1(CC)CNCC[C@H]1[NH3+] 38386829 571847598 /nfs/dbraw/zinc/84/75/98/571847598.db2.gz JPIIHMKDXDQRGO-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCCCCN1CC[C@@H]([NH3+])C1(C)C 259525007 571849414 /nfs/dbraw/zinc/84/94/14/571849414.db2.gz VMXMXLOCPPCZKK-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]C(C)(C)C 38767783 571854540 /nfs/dbraw/zinc/85/45/40/571854540.db2.gz FVUMQXZQPIFOQX-JGVFFNPUSA-N 1 3 156.273 1.125 10 0 ADAEHO CN(C)Cc1ccc(F)c(C[NH3+])c1 234237333 571850211 /nfs/dbraw/zinc/85/02/11/571850211.db2.gz GPCGMFORLPNVPF-UHFFFAOYSA-N 1 3 182.242 1.346 10 0 ADAEHO C[C@@H]1C[C@H](n2ccnc2N)CC[N@@H+]1C 235372019 571850269 /nfs/dbraw/zinc/85/02/69/571850269.db2.gz VQPHODWFQRBJJK-RKDXNWHRSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@@H]1C[C@H](n2ccnc2N)CC[N@H+]1C 235372019 571850272 /nfs/dbraw/zinc/85/02/72/571850272.db2.gz VQPHODWFQRBJJK-RKDXNWHRSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@@H]1C[C@H](n2cc[nH+]c2N)CCN1C 235372019 571850275 /nfs/dbraw/zinc/85/02/75/571850275.db2.gz VQPHODWFQRBJJK-RKDXNWHRSA-N 1 3 194.282 1.121 10 0 ADAEHO C/C=C\C[N@@H+]1CCNCC[C@H]1C 379311850 571850675 /nfs/dbraw/zinc/85/06/75/571850675.db2.gz RPFSZDYDRJZIPU-UMBAGQNISA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C\C[N@H+]1CCNCC[C@H]1C 379311850 571850677 /nfs/dbraw/zinc/85/06/77/571850677.db2.gz RPFSZDYDRJZIPU-UMBAGQNISA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C\C[N@@H+]1CCNCC[C@@H]1C 379311851 571850904 /nfs/dbraw/zinc/85/09/04/571850904.db2.gz RPFSZDYDRJZIPU-XOULXFPDSA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C\C[N@H+]1CCNCC[C@@H]1C 379311851 571850906 /nfs/dbraw/zinc/85/09/06/571850906.db2.gz RPFSZDYDRJZIPU-XOULXFPDSA-N 1 3 168.284 1.246 10 0 ADAEHO CC(C)[C@@H]1CC[C@](C)(N)[C@H]([NH3+])C1 38611938 571851259 /nfs/dbraw/zinc/85/12/59/571851259.db2.gz XGOKOSVLIDVVSC-BBBLOLIVSA-N 1 3 170.300 1.487 10 0 ADAEHO C[C@@H](NCCC(F)F)[C@H]1CC[NH2+]C1 400333553 571855072 /nfs/dbraw/zinc/85/50/72/571855072.db2.gz DOJSUWUUENOANN-SFYZADRCSA-N 1 3 192.253 1.229 10 0 ADAEHO CC(C)[C@@H]1CC[C@@](C)(N)[C@H]([NH3+])C1 38611936 571852421 /nfs/dbraw/zinc/85/24/21/571852421.db2.gz XGOKOSVLIDVVSC-OPRDCNLKSA-N 1 3 170.300 1.487 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CCC(F)CC1 689379484 571852713 /nfs/dbraw/zinc/85/27/13/571852713.db2.gz XIDZQAFJBVSNMU-JTQLQIEISA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CCC(F)CC1 689379484 571852716 /nfs/dbraw/zinc/85/27/16/571852716.db2.gz XIDZQAFJBVSNMU-JTQLQIEISA-N 1 3 188.290 1.548 10 0 ADAEHO CC1(C)[C@@H]2CC[C@@](CN)(C2)[C@@H]1[NH3+] 5963888 571852752 /nfs/dbraw/zinc/85/27/52/571852752.db2.gz YJPWKFJHAGKQFW-MRTMQBJTSA-N 1 3 168.284 1.099 10 0 ADAEHO CC1(C)[C@@H]2CC[C@@](C[NH3+])(C2)[C@@H]1N 5963888 571852755 /nfs/dbraw/zinc/85/27/55/571852755.db2.gz YJPWKFJHAGKQFW-MRTMQBJTSA-N 1 3 168.284 1.099 10 0 ADAEHO CC[C@H](CC[NH3+])N1CCC(F)CC1 689379485 571853560 /nfs/dbraw/zinc/85/35/60/571853560.db2.gz XIDZQAFJBVSNMU-SNVBAGLBSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@H](CCN)[NH+]1CCC(F)CC1 689379485 571853562 /nfs/dbraw/zinc/85/35/62/571853562.db2.gz XIDZQAFJBVSNMU-SNVBAGLBSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@@H]([NH2+]C)C[C@@H]1C 233929878 571854472 /nfs/dbraw/zinc/85/44/72/571854472.db2.gz CUZPUZDNVLUQIV-QCNOEVLYSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H](NC)C[C@@H]1C 233929878 571854474 /nfs/dbraw/zinc/85/44/74/571854474.db2.gz CUZPUZDNVLUQIV-QCNOEVLYSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H](NC)C[C@@H]1C 233929878 571854475 /nfs/dbraw/zinc/85/44/75/571854475.db2.gz CUZPUZDNVLUQIV-QCNOEVLYSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H](NCCC(F)F)[C@@H]1CC[NH2+]C1 400333552 571854867 /nfs/dbraw/zinc/85/48/67/571854867.db2.gz DOJSUWUUENOANN-JGVFFNPUSA-N 1 3 192.253 1.229 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@@H]([NH2+]C)[C@@H](C)C1 233929887 571855126 /nfs/dbraw/zinc/85/51/26/571855126.db2.gz GMKYHWPKMQFXCS-QCNOEVLYSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H]([NH3+])CN[C@@H]1CC12CCCC2 386882948 571855113 /nfs/dbraw/zinc/85/51/13/571855113.db2.gz IQVQQERDQZFWIU-NXEZZACHSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CCNC 322946049 571855361 /nfs/dbraw/zinc/85/53/61/571855361.db2.gz QHHKCCPTUDKQSW-MXWKQRLJSA-N 1 3 184.327 1.620 10 0 ADAEHO CNCC[N@@H+]1[C@@H](C)CC[C@H]1C 147628287 571855595 /nfs/dbraw/zinc/85/55/95/571855595.db2.gz VMAXOFZJOKTTPE-DTORHVGOSA-N 1 3 156.273 1.079 10 0 ADAEHO CNCC[N@H+]1[C@@H](C)CC[C@H]1C 147628287 571855599 /nfs/dbraw/zinc/85/55/99/571855599.db2.gz VMAXOFZJOKTTPE-DTORHVGOSA-N 1 3 156.273 1.079 10 0 ADAEHO CNCC[NH+]1[C@@H](C)CC[C@@H]1C 147628084 571855695 /nfs/dbraw/zinc/85/56/95/571855695.db2.gz VMAXOFZJOKTTPE-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H](CN)C1 233929731 571856071 /nfs/dbraw/zinc/85/60/71/571856071.db2.gz WOUVYQGMIPCSQU-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H](CN)C1 233929731 571856074 /nfs/dbraw/zinc/85/60/74/571856074.db2.gz WOUVYQGMIPCSQU-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H](NCCC(F)F)[C@H]1CC[NH2+]C1 400333555 571856196 /nfs/dbraw/zinc/85/61/96/571856196.db2.gz DOJSUWUUENOANN-YUMQZZPRSA-N 1 3 192.253 1.229 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CCCNC[C@@H](C)C1 233929376 571856489 /nfs/dbraw/zinc/85/64/89/571856489.db2.gz XRFGOOSZDFQWLK-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CCCNC[C@@H](C)C1 233929376 571856491 /nfs/dbraw/zinc/85/64/91/571856491.db2.gz XRFGOOSZDFQWLK-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CCC[NH2+]C[C@@H](C)C1 233929376 571856497 /nfs/dbraw/zinc/85/64/97/571856497.db2.gz XRFGOOSZDFQWLK-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CCC[NH2+][C@@H](C)CC1 233929414 571857142 /nfs/dbraw/zinc/85/71/42/571857142.db2.gz MONHLGGHBJHBTQ-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CCCN[C@@H](C)CC1 233929414 571857145 /nfs/dbraw/zinc/85/71/45/571857145.db2.gz MONHLGGHBJHBTQ-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CCCN[C@@H](C)CC1 233929414 571857147 /nfs/dbraw/zinc/85/71/47/571857147.db2.gz MONHLGGHBJHBTQ-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CCC[NH2+][C@@H](C)CC1 233934727 571860725 /nfs/dbraw/zinc/86/07/25/571860725.db2.gz MONHLGGHBJHBTQ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@@H+]1CCCN[C@@H](C)CC1 233934727 571860727 /nfs/dbraw/zinc/86/07/27/571860727.db2.gz MONHLGGHBJHBTQ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@H+]1CCCN[C@@H](C)CC1 233934727 571860730 /nfs/dbraw/zinc/86/07/30/571860730.db2.gz MONHLGGHBJHBTQ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN(C)Cc1ncccc1C[NH3+] 300729215 571860966 /nfs/dbraw/zinc/86/09/66/571860966.db2.gz CWOKYGCNJLXJJW-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CC(C)C[C@@H](C)C[NH2+]CCCN 300740167 571870924 /nfs/dbraw/zinc/87/09/24/571870924.db2.gz AUANVUWSDOFCTH-SNVBAGLBSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@@H+]1CCCNC[C@@H](C)C1 233934697 571862585 /nfs/dbraw/zinc/86/25/85/571862585.db2.gz XRFGOOSZDFQWLK-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@H+]1CCCNC[C@@H](C)C1 233934697 571862586 /nfs/dbraw/zinc/86/25/86/571862586.db2.gz XRFGOOSZDFQWLK-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CCC[NH2+]C[C@@H](C)C1 233934697 571862589 /nfs/dbraw/zinc/86/25/89/571862589.db2.gz XRFGOOSZDFQWLK-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO [NH3+]CC1CN(CCC2CCCC2)C1 300725884 571862711 /nfs/dbraw/zinc/86/27/11/571862711.db2.gz DCOZRHDEHQMIKJ-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO CCC[NH2+][C@@H]1CCNC[C@@H]1CC 229702919 571863190 /nfs/dbraw/zinc/86/31/90/571863190.db2.gz IXLDSDJQTKWZFP-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H]1CCCN(CCC(N)=[NH2+])C1 38971082 571865806 /nfs/dbraw/zinc/86/58/06/571865806.db2.gz VPVPTHVTLLTDHD-QMMMGPOBSA-N 1 3 169.272 1.044 10 0 ADAEHO CC(C)(CN)C[NH2+][C@H]1CC12CCCC2 386913847 571866054 /nfs/dbraw/zinc/86/60/54/571866054.db2.gz NZOYBMDHZNPFLR-JTQLQIEISA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1CCCN(CCC(N)=[NH2+])C1 38971080 571866670 /nfs/dbraw/zinc/86/66/70/571866670.db2.gz VPVPTHVTLLTDHD-MRVPVSSYSA-N 1 3 169.272 1.044 10 0 ADAEHO CNCCC12CCC[NH+]1CCC2 39017507 571870137 /nfs/dbraw/zinc/87/01/37/571870137.db2.gz IGXXKLVYQDQTTI-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO CC[C@@H](CN)C[NH2+][C@@H]1CC12CCCC2 386944776 571870981 /nfs/dbraw/zinc/87/09/81/571870981.db2.gz VGPOVIIQWPDHDF-WDEREUQCSA-N 1 3 196.338 1.894 10 0 ADAEHO CC[C@@](C)(CN)C[N@@H+]1CCC2(CC2)C1 400452410 571874357 /nfs/dbraw/zinc/87/43/57/571874357.db2.gz NWIDZIKERSEVLI-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CC[C@@](C)(CN)C[N@H+]1CCC2(CC2)C1 400452410 571874360 /nfs/dbraw/zinc/87/43/60/571874360.db2.gz NWIDZIKERSEVLI-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CNCCC[NH2+]C[C@@H](C)CSC 300752503 571875505 /nfs/dbraw/zinc/87/55/05/571875505.db2.gz HUILRNNBRUQWLO-SECBINFHSA-N 1 3 190.356 1.185 10 0 ADAEHO C[NH2+]CCCNC[C@@H](C)CSC 300752503 571875508 /nfs/dbraw/zinc/87/55/08/571875508.db2.gz HUILRNNBRUQWLO-SECBINFHSA-N 1 3 190.356 1.185 10 0 ADAEHO COC1CC([NH2+]CC2(N)CCCC2)C1 234679814 571877399 /nfs/dbraw/zinc/87/73/99/571877399.db2.gz QPBWZQFAFFYYGM-UHFFFAOYSA-N 1 3 198.310 1.025 10 0 ADAEHO COC1CC(NCC2([NH3+])CCCC2)C1 234679814 571877403 /nfs/dbraw/zinc/87/74/03/571877403.db2.gz QPBWZQFAFFYYGM-UHFFFAOYSA-N 1 3 198.310 1.025 10 0 ADAEHO CNCCC[NH2+]C[C@H](C)CSC 300752504 571877818 /nfs/dbraw/zinc/87/78/18/571877818.db2.gz HUILRNNBRUQWLO-VIFPVBQESA-N 1 3 190.356 1.185 10 0 ADAEHO C[NH2+]CCCNC[C@H](C)CSC 300752504 571877822 /nfs/dbraw/zinc/87/78/22/571877822.db2.gz HUILRNNBRUQWLO-VIFPVBQESA-N 1 3 190.356 1.185 10 0 ADAEHO CN1CCC[C@@H]1C[C@@H]1CCCC[NH2+]1 2555263 571878139 /nfs/dbraw/zinc/87/81/39/571878139.db2.gz BILVABRULMFJNP-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1CC[C@H](N2C[C@@H](C)[C@@H]([NH3+])C2)C1 233940618 571878431 /nfs/dbraw/zinc/87/84/31/571878431.db2.gz PHOHVAMRRIVPHW-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO CSC[C@H](C)C[NH2+][C@H](C)CCN 300752120 571878645 /nfs/dbraw/zinc/87/86/45/571878645.db2.gz HNKAKEYEZLHLKI-RKDXNWHRSA-N 1 3 190.356 1.312 10 0 ADAEHO CSC[C@H](C)C[NH2+][C@@H](C)CCN 300752117 571878978 /nfs/dbraw/zinc/87/89/78/571878978.db2.gz HNKAKEYEZLHLKI-BDAKNGLRSA-N 1 3 190.356 1.312 10 0 ADAEHO CSC[C@@H](C)C[NH2+][C@@H](C)CCN 300752119 571879445 /nfs/dbraw/zinc/87/94/45/571879445.db2.gz HNKAKEYEZLHLKI-IUCAKERBSA-N 1 3 190.356 1.312 10 0 ADAEHO C[C@@H]1C[C@@H](n2ccnc2N)CC[N@@H+]1C 235401453 571880773 /nfs/dbraw/zinc/88/07/73/571880773.db2.gz VQPHODWFQRBJJK-BDAKNGLRSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@@H]1C[C@@H](n2ccnc2N)CC[N@H+]1C 235401453 571880774 /nfs/dbraw/zinc/88/07/74/571880774.db2.gz VQPHODWFQRBJJK-BDAKNGLRSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@@H]1C[C@@H](n2cc[nH+]c2N)CCN1C 235401453 571880776 /nfs/dbraw/zinc/88/07/76/571880776.db2.gz VQPHODWFQRBJJK-BDAKNGLRSA-N 1 3 194.282 1.121 10 0 ADAEHO CCSC[C@H](C)N[C@H](C)C[NH3+] 300026547 571881652 /nfs/dbraw/zinc/88/16/52/571881652.db2.gz ZCYZIKDJTPQMBL-SFYZADRCSA-N 1 3 176.329 1.065 10 0 ADAEHO C[NH2+]CCNCC12CCC(CC1)C2 711068704 571881545 /nfs/dbraw/zinc/88/15/45/571881545.db2.gz ADQWHNBMTHONLO-UHFFFAOYSA-N 1 3 182.311 1.376 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C1CCNCC1 233948821 571882803 /nfs/dbraw/zinc/88/28/03/571882803.db2.gz MNRGLXOKDFTSRF-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@@H]1C[C@H]1NC1CC[NH2+]CC1 233948821 571882808 /nfs/dbraw/zinc/88/28/08/571882808.db2.gz MNRGLXOKDFTSRF-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO CCSC[C@H](C)N[C@@H](C)C[NH3+] 300026548 571883778 /nfs/dbraw/zinc/88/37/78/571883778.db2.gz ZCYZIKDJTPQMBL-YUMQZZPRSA-N 1 3 176.329 1.065 10 0 ADAEHO C[C@@H](CC1CC1)[N@@H+]1CCC[C@@H](CN)C1 229729164 571884332 /nfs/dbraw/zinc/88/43/32/571884332.db2.gz YYRNDOAIHKLOAL-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](CC1CC1)[N@H+]1CCC[C@@H](CN)C1 229729164 571884336 /nfs/dbraw/zinc/88/43/36/571884336.db2.gz YYRNDOAIHKLOAL-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO CSCCCN(C)[C@H](C)CC[NH3+] 300756461 571884773 /nfs/dbraw/zinc/88/47/73/571884773.db2.gz KBNHBGWMGHBYDC-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CSCCC[N@H+](C)[C@H](C)CCN 300756461 571884777 /nfs/dbraw/zinc/88/47/77/571884777.db2.gz KBNHBGWMGHBYDC-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CSCCC[N@@H+](C)[C@H](C)CCN 300756461 571884780 /nfs/dbraw/zinc/88/47/80/571884780.db2.gz KBNHBGWMGHBYDC-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CC[C@@H]1CCN(C2(C[NH3+])CC2)C1 233949632 571887069 /nfs/dbraw/zinc/88/70/69/571887069.db2.gz RQEZTJPPBDXSGW-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CSCCCN(C)[C@@H](C)CC[NH3+] 300756462 571886439 /nfs/dbraw/zinc/88/64/39/571886439.db2.gz KBNHBGWMGHBYDC-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CSCCC[N@H+](C)[C@@H](C)CCN 300756462 571886441 /nfs/dbraw/zinc/88/64/41/571886441.db2.gz KBNHBGWMGHBYDC-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CSCCC[N@@H+](C)[C@@H](C)CCN 300756462 571886443 /nfs/dbraw/zinc/88/64/43/571886443.db2.gz KBNHBGWMGHBYDC-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CC1CC(N2C[C@@H]3CCC[NH2+][C@H]3C2)C1 300048276 571888274 /nfs/dbraw/zinc/88/82/74/571888274.db2.gz ISLNBKLNOBANGE-ADPBJBESSA-N 1 3 194.322 1.469 10 0 ADAEHO NCCC[NH2+]C[C@@H]1CCCSC1 393336643 571888787 /nfs/dbraw/zinc/88/87/87/571888787.db2.gz HSPGQWMRIJUECC-VIFPVBQESA-N 1 3 188.340 1.068 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CC[C@@H](C2CC2)C1 400336507 571889247 /nfs/dbraw/zinc/88/92/47/571889247.db2.gz LSHBZVFIPTYJPC-CMPLNLGQSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CC[C@@H](C2CC2)C1 400336507 571889250 /nfs/dbraw/zinc/88/92/50/571889250.db2.gz LSHBZVFIPTYJPC-CMPLNLGQSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CC[C@H](C2CC2)C1 400336512 571889585 /nfs/dbraw/zinc/88/95/85/571889585.db2.gz LSHBZVFIPTYJPC-JQWIXIFHSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CC[C@H](C2CC2)C1 400336512 571889586 /nfs/dbraw/zinc/88/95/86/571889586.db2.gz LSHBZVFIPTYJPC-JQWIXIFHSA-N 1 3 196.338 1.574 10 0 ADAEHO CC1CC(N2C[C@H]3CCC[NH2+][C@H]3C2)C1 300048277 571889965 /nfs/dbraw/zinc/88/99/65/571889965.db2.gz ISLNBKLNOBANGE-RSJDFQLWSA-N 1 3 194.322 1.469 10 0 ADAEHO CSCCCN(C)C1CC([NH3+])C1 300761984 571891652 /nfs/dbraw/zinc/89/16/52/571891652.db2.gz MXJKVQCDJCGQRV-UHFFFAOYSA-N 1 3 188.340 1.161 10 0 ADAEHO CSCCCN(C)CC[C@@H](C)[NH3+] 300763105 571897095 /nfs/dbraw/zinc/89/70/95/571897095.db2.gz NHWPUKYJPMMEHP-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)CCN 32007778 571897991 /nfs/dbraw/zinc/89/79/91/571897991.db2.gz RBNNQQQSRAJOPW-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H]1CCCC[N@H+]1[C@@H](C)CCN 32007778 571897994 /nfs/dbraw/zinc/89/79/94/571897994.db2.gz RBNNQQQSRAJOPW-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CSCCCN(C)CC[C@H](C)[NH3+] 300763106 571898530 /nfs/dbraw/zinc/89/85/30/571898530.db2.gz NHWPUKYJPMMEHP-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CC[C@H]1CCCC[N@@H+]1[C@@H](C)CCN 32007780 571898842 /nfs/dbraw/zinc/89/88/42/571898842.db2.gz RBNNQQQSRAJOPW-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H]1CCCC[N@H+]1[C@@H](C)CCN 32007780 571898844 /nfs/dbraw/zinc/89/88/44/571898844.db2.gz RBNNQQQSRAJOPW-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](N)[C@@H]([NH3+])C1=CCCCC1 39135471 571900412 /nfs/dbraw/zinc/90/04/12/571900412.db2.gz WZJNVKKBCMAXMV-IONNQARKSA-N 1 3 154.257 1.161 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1N)C1CC1 398002261 571901611 /nfs/dbraw/zinc/90/16/11/571901611.db2.gz OHIZYAUIZHZVDC-JMJZKYOTSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H](N)[C@@H]([NH3+])C1=CCCCC1 39135472 571901014 /nfs/dbraw/zinc/90/10/14/571901014.db2.gz WZJNVKKBCMAXMV-VXNVDRBHSA-N 1 3 154.257 1.161 10 0 ADAEHO CC(C)C(CN)(C[NH3+])C(C)C 39135336 571901077 /nfs/dbraw/zinc/90/10/77/571901077.db2.gz QZEZWQOLKWEDBT-UHFFFAOYSA-N 1 3 158.289 1.202 10 0 ADAEHO C[C@@H](N)[C@H]([NH3+])C1=CCCCC1 39135470 571901134 /nfs/dbraw/zinc/90/11/34/571901134.db2.gz WZJNVKKBCMAXMV-APPZFPTMSA-N 1 3 154.257 1.161 10 0 ADAEHO C[C@H](N)[C@H]([NH3+])C1=CCCCC1 39135469 571901706 /nfs/dbraw/zinc/90/17/06/571901706.db2.gz WZJNVKKBCMAXMV-CBAPKCEASA-N 1 3 154.257 1.161 10 0 ADAEHO C[C@H](CCN)[NH2+]C[C@H]1CC1(C)C 235440874 571903231 /nfs/dbraw/zinc/90/32/31/571903231.db2.gz LTUUZXNQJNFWDO-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CCCC[C@@H](CC)N1CC[C@H]([NH3+])C1 68988964 571903475 /nfs/dbraw/zinc/90/34/75/571903475.db2.gz QCCPPARPYKEDMX-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)=CCN[C@H](C)CC[NH+](C)C 235427373 571902082 /nfs/dbraw/zinc/90/20/82/571902082.db2.gz GDXKJQQHHBIHMV-LLVKDONJSA-N 1 3 184.327 1.882 10 0 ADAEHO CC[C@H](C)[C@H](N)C[NH+](CC)CC 39141018 571902244 /nfs/dbraw/zinc/90/22/44/571902244.db2.gz RAZFBRDJBOAURR-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CN[C@@H](C[N@H+]1C[C@H]2CC[C@H]2C1)C1CC1 711129926 571902687 /nfs/dbraw/zinc/90/26/87/571902687.db2.gz QVDHODVOPKWISU-TUAOUCFPSA-N 1 3 194.322 1.326 10 0 ADAEHO CN[C@@H](C[N@@H+]1C[C@H]2CC[C@H]2C1)C1CC1 711129926 571902694 /nfs/dbraw/zinc/90/26/94/571902694.db2.gz QVDHODVOPKWISU-TUAOUCFPSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@H](C[NH+]1CCCC1)n1ccnc1N 235440554 571903525 /nfs/dbraw/zinc/90/35/25/571903525.db2.gz FMFHTKUPDVMEHJ-SECBINFHSA-N 1 3 194.282 1.122 10 0 ADAEHO C[C@H](CCN)[NH2+]C[C@@H]1CC1(C)C 235440629 571902914 /nfs/dbraw/zinc/90/29/14/571902914.db2.gz LTUUZXNQJNFWDO-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CCCC[N@H+](C)C[C@@H](N)C(C)C 39141120 571902994 /nfs/dbraw/zinc/90/29/94/571902994.db2.gz NXRIMDITIISSKC-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H](N)C(C)C 39141120 571902997 /nfs/dbraw/zinc/90/29/97/571902997.db2.gz NXRIMDITIISSKC-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)[C@H](N)C[NH+](CC)CC 39141015 571903961 /nfs/dbraw/zinc/90/39/61/571903961.db2.gz RAZFBRDJBOAURR-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO CN(CCC(N)=[NH2+])C1CCCCC1 39170056 571905262 /nfs/dbraw/zinc/90/52/62/571905262.db2.gz LPVPSANIBZUSFA-UHFFFAOYSA-N 1 3 183.299 1.577 10 0 ADAEHO CSCCC[N@H+](C)C[C@H](C)N 300767956 571906467 /nfs/dbraw/zinc/90/64/67/571906467.db2.gz PEIMSWGKGAAXEJ-QMMMGPOBSA-N 1 3 176.329 1.019 10 0 ADAEHO CSCCC[N@@H+](C)C[C@H](C)N 300767956 571906469 /nfs/dbraw/zinc/90/64/69/571906469.db2.gz PEIMSWGKGAAXEJ-QMMMGPOBSA-N 1 3 176.329 1.019 10 0 ADAEHO CSCCC[N@H+](C)C[C@@H](C)N 300767953 571907039 /nfs/dbraw/zinc/90/70/39/571907039.db2.gz PEIMSWGKGAAXEJ-MRVPVSSYSA-N 1 3 176.329 1.019 10 0 ADAEHO CSCCC[N@@H+](C)C[C@@H](C)N 300767953 571907042 /nfs/dbraw/zinc/90/70/42/571907042.db2.gz PEIMSWGKGAAXEJ-MRVPVSSYSA-N 1 3 176.329 1.019 10 0 ADAEHO C[C@H](CC(F)(F)F)[NH2+]CC(C)(C)N 235445216 571908612 /nfs/dbraw/zinc/90/86/12/571908612.db2.gz IHAPUDVCYRQXGO-ZCFIWIBFSA-N 1 3 198.232 1.654 10 0 ADAEHO CN1CC[C@@H](C[NH2+]C/C=C/Cl)C1 234377439 571909632 /nfs/dbraw/zinc/90/96/32/571909632.db2.gz XFVYSBLXISRZIL-LXOKAJLYSA-N 1 3 188.702 1.280 10 0 ADAEHO CC(C)[NH2+]CCNC1CCCCC1 39207838 571910468 /nfs/dbraw/zinc/91/04/68/571910468.db2.gz DBRGWCAEALJVFO-UHFFFAOYSA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)CCC1CC1 234377601 571912383 /nfs/dbraw/zinc/91/23/83/571912383.db2.gz OAOFDGKHEHOZAA-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)CCC1CC1 234377601 571912385 /nfs/dbraw/zinc/91/23/85/571912385.db2.gz OAOFDGKHEHOZAA-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)CCC1CC1 234377601 571912389 /nfs/dbraw/zinc/91/23/89/571912389.db2.gz OAOFDGKHEHOZAA-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)=CCNC[C@@H]1CC[N@@H+](C)C1 234376918 571912456 /nfs/dbraw/zinc/91/24/56/571912456.db2.gz NEHSXYYNAGZCTC-NSHDSACASA-N 1 3 182.311 1.494 10 0 ADAEHO CC(C)=CCNC[C@@H]1CC[N@H+](C)C1 234376918 571912459 /nfs/dbraw/zinc/91/24/59/571912459.db2.gz NEHSXYYNAGZCTC-NSHDSACASA-N 1 3 182.311 1.494 10 0 ADAEHO C[C@H](CNCCC[NH3+])c1nccs1 235453675 571912638 /nfs/dbraw/zinc/91/26/38/571912638.db2.gz OXUABGPCPRWNRB-MRVPVSSYSA-N 1 3 199.323 1.185 10 0 ADAEHO CN(C)C/C=C1/CCC[NH2+]CC1 687678945 571914017 /nfs/dbraw/zinc/91/40/17/571914017.db2.gz FDCDUHIBCPBAIL-POHAHGRESA-N 1 3 168.284 1.248 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC[C@@H]1C[C@@H]1C1CC1 712662384 571916245 /nfs/dbraw/zinc/91/62/45/571916245.db2.gz QIPLXJRALFZJTH-YUSALJHKSA-N 1 3 196.338 1.750 10 0 ADAEHO C[NH2+]CCNCC1(C)CCCCC1 234381414 571916433 /nfs/dbraw/zinc/91/64/33/571916433.db2.gz PJWIMUVMSQQBMD-UHFFFAOYSA-N 1 3 184.327 1.766 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)NC[C@@H]1CC1(C)C 235457994 571916876 /nfs/dbraw/zinc/91/68/76/571916876.db2.gz CLJWSFVUDBGDIF-ZJUUUORDSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](C[NH3+])CN[C@H](C)CC(F)(F)F 235462523 571916962 /nfs/dbraw/zinc/91/69/62/571916962.db2.gz UGXQQDMJJLHNFO-RNFRBKRXSA-N 1 3 198.232 1.512 10 0 ADAEHO C[C@H]([NH3+])CC(C)(C)N(C)C 39257692 571917059 /nfs/dbraw/zinc/91/70/59/571917059.db2.gz LGECWILINPRWCC-ZETCQYMHSA-N 1 3 144.262 1.064 10 0 ADAEHO C[NH2+]CCNCC(C)(C)C(C)C 234381309 571916987 /nfs/dbraw/zinc/91/69/87/571916987.db2.gz CTTJPHUJUVCYRC-UHFFFAOYSA-N 1 3 172.316 1.478 10 0 ADAEHO C[C@H]([NH2+][C@H](C)CN)c1ccncc1 235459543 571917217 /nfs/dbraw/zinc/91/72/17/571917217.db2.gz MLUQVYYRDDZZSJ-BDAKNGLRSA-N 1 3 179.267 1.079 10 0 ADAEHO C[C@H](CN)C[NH2+]CC1(C2CC2)CC1 235461805 571917779 /nfs/dbraw/zinc/91/77/79/571917779.db2.gz DTSPSOVYUJOCNI-SECBINFHSA-N 1 3 182.311 1.361 10 0 ADAEHO C[C@H](CN)C[NH2+]C[C@@H]1CC1(C)C 235461919 571917810 /nfs/dbraw/zinc/91/78/10/571917810.db2.gz SOKNNLYTMPNBIK-BDAKNGLRSA-N 1 3 170.300 1.217 10 0 ADAEHO C[C@H](N)C[NH2+][C@H](C)CC(F)(F)F 235488547 571918298 /nfs/dbraw/zinc/91/82/98/571918298.db2.gz UJGFQQYVXUHSJG-NTSWFWBYSA-N 1 3 184.205 1.264 10 0 ADAEHO C[C@H]([NH3+])CCN[C@H](C)CC(F)(F)F 235488896 571918388 /nfs/dbraw/zinc/91/83/88/571918388.db2.gz QFJRZJGAWZUOJZ-NKWVEPMBSA-N 1 3 198.232 1.654 10 0 ADAEHO C[C@H](N)C[NH2+][C@@H](C)CC(F)(F)F 235488442 571918847 /nfs/dbraw/zinc/91/88/47/571918847.db2.gz UJGFQQYVXUHSJG-WDSKDSINSA-N 1 3 184.205 1.264 10 0 ADAEHO CC[NH2+]Cc1csc2c1CCNC2 132867816 571919012 /nfs/dbraw/zinc/91/90/12/571919012.db2.gz QPCSXSBEOJXMQU-UHFFFAOYSA-N 1 3 196.319 1.503 10 0 ADAEHO C[C@H]([NH3+])CCN[C@@H](C)CC(F)(F)F 235488793 571919248 /nfs/dbraw/zinc/91/92/48/571919248.db2.gz QFJRZJGAWZUOJZ-BQBZGAKWSA-N 1 3 198.232 1.654 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1(C2CC2)CC1 235487648 571919432 /nfs/dbraw/zinc/91/94/32/571919432.db2.gz GAVVJRCRVCIRCE-VIFPVBQESA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@H](N)CC[NH2+]C[C@@H]1CC1(C)C 235487747 571919404 /nfs/dbraw/zinc/91/94/04/571919404.db2.gz NCSYIOPBNUUMJK-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[NH2+][C@H]1CC[C@H](N(C)C)C1 132962765 571919954 /nfs/dbraw/zinc/91/99/54/571919954.db2.gz KKNQBMGHQJPHAH-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO CC(C)[NH2+][C@H]1CC[C@@H](N(C)C)C1 132963203 571920067 /nfs/dbraw/zinc/92/00/67/571920067.db2.gz KKNQBMGHQJPHAH-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO CC(C)[NH2+][C@@H]1CC[C@@H](N(C)C)C1 132962997 571920491 /nfs/dbraw/zinc/92/04/91/571920491.db2.gz KKNQBMGHQJPHAH-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(C)CC1 235485062 571920526 /nfs/dbraw/zinc/92/05/26/571920526.db2.gz CQZWBPNCGXOOSN-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](N)CC[NH2+]C[C@H]1CC1(C)C 235487838 571920780 /nfs/dbraw/zinc/92/07/80/571920780.db2.gz NCSYIOPBNUUMJK-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(C)CC1 235477947 571922028 /nfs/dbraw/zinc/92/20/28/571922028.db2.gz CQZWBPNCGXOOSN-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C(\CN1CCCCC1)=C1/CC[NH2+]C1 687680016 571924029 /nfs/dbraw/zinc/92/40/29/571924029.db2.gz ICQUXAQMHJVVDM-WZUFQYTHSA-N 1 3 180.295 1.392 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+]C[C@@H]1CC1(C)C 235491414 571924357 /nfs/dbraw/zinc/92/43/57/571924357.db2.gz ZRCJUHRTEPGJES-GUBZILKMSA-N 1 3 184.327 1.605 10 0 ADAEHO CN(C)Cc1cccc(/C=C\C[NH3+])c1 687681058 571926515 /nfs/dbraw/zinc/92/65/15/571926515.db2.gz ABMMPANDZAHCEZ-DAXSKMNVSA-N 1 3 190.290 1.720 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+]CC1(C)CC1 235491269 571925878 /nfs/dbraw/zinc/92/58/78/571925878.db2.gz VTBHMDNLUQCOFU-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+]CC1(C)CCC1 235491283 571926009 /nfs/dbraw/zinc/92/60/09/571926009.db2.gz WSASILVBFQPZML-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+]CC1(C2CC2)CC1 235491477 571926067 /nfs/dbraw/zinc/92/60/67/571926067.db2.gz RCLFLTZRQDJMPY-ZJUUUORDSA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+]CC1(C)CC1 235491429 571926078 /nfs/dbraw/zinc/92/60/78/571926078.db2.gz VTBHMDNLUQCOFU-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[N@@H+](CCCN)[C@H]1CCCC1(C)C 227743869 571926550 /nfs/dbraw/zinc/92/65/50/571926550.db2.gz BDSPWMYQJXSSOS-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+]C[C@@H]1CC1(C)C 235491548 571926350 /nfs/dbraw/zinc/92/63/50/571926350.db2.gz ZRCJUHRTEPGJES-UTLUCORTSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+]CC1(C)CCC1 235491439 571926411 /nfs/dbraw/zinc/92/64/11/571926411.db2.gz WSASILVBFQPZML-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO C[N@H+](CCCN)[C@H]1CCCC1(C)C 227743869 571926546 /nfs/dbraw/zinc/92/65/46/571926546.db2.gz BDSPWMYQJXSSOS-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+]CC1(C2CC2)CC1 235491334 571926935 /nfs/dbraw/zinc/92/69/35/571926935.db2.gz RCLFLTZRQDJMPY-UWVGGRQHSA-N 1 3 196.338 1.750 10 0 ADAEHO CN(C)Cc1ccc(/C=C\C[NH3+])cc1 687681061 571927558 /nfs/dbraw/zinc/92/75/58/571927558.db2.gz JXNVDQCZCHSTNX-ARJAWSKDSA-N 1 3 190.290 1.720 10 0 ADAEHO CSCCC[N@H+](C)C1(CN)CC1 300793650 571927590 /nfs/dbraw/zinc/92/75/90/571927590.db2.gz YXNRDNVOPRISKW-UHFFFAOYSA-N 1 3 188.340 1.163 10 0 ADAEHO CSCCC[N@@H+](C)C1(CN)CC1 300793650 571927593 /nfs/dbraw/zinc/92/75/93/571927593.db2.gz YXNRDNVOPRISKW-UHFFFAOYSA-N 1 3 188.340 1.163 10 0 ADAEHO CN(C)Cc1ccccc1/C=C\C[NH3+] 687681065 571927693 /nfs/dbraw/zinc/92/76/93/571927693.db2.gz OPJGMSXUNLAYSS-YVMONPNESA-N 1 3 190.290 1.720 10 0 ADAEHO CSCCCN(C)C[C@@H](C)C[NH3+] 300792153 571928405 /nfs/dbraw/zinc/92/84/05/571928405.db2.gz YKQKXOWEABJZRD-VIFPVBQESA-N 1 3 190.356 1.266 10 0 ADAEHO CSCCC[N@H+](C)C[C@@H](C)CN 300792153 571928407 /nfs/dbraw/zinc/92/84/07/571928407.db2.gz YKQKXOWEABJZRD-VIFPVBQESA-N 1 3 190.356 1.266 10 0 ADAEHO CSCCC[N@@H+](C)C[C@@H](C)CN 300792153 571928408 /nfs/dbraw/zinc/92/84/08/571928408.db2.gz YKQKXOWEABJZRD-VIFPVBQESA-N 1 3 190.356 1.266 10 0 ADAEHO CSCCCN(C)C[C@H](C)C[NH3+] 300792152 571928593 /nfs/dbraw/zinc/92/85/93/571928593.db2.gz YKQKXOWEABJZRD-SECBINFHSA-N 1 3 190.356 1.266 10 0 ADAEHO CSCCC[N@H+](C)C[C@H](C)CN 300792152 571928597 /nfs/dbraw/zinc/92/85/97/571928597.db2.gz YKQKXOWEABJZRD-SECBINFHSA-N 1 3 190.356 1.266 10 0 ADAEHO CSCCC[N@@H+](C)C[C@H](C)CN 300792152 571928600 /nfs/dbraw/zinc/92/86/00/571928600.db2.gz YKQKXOWEABJZRD-SECBINFHSA-N 1 3 190.356 1.266 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N2CC[C@H]2C)C1 712707418 571939479 /nfs/dbraw/zinc/93/94/79/571939479.db2.gz YZCCYAGLAKXWKZ-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@H]1C[NH2+]CC1(C)C 711262809 571932441 /nfs/dbraw/zinc/93/24/41/571932441.db2.gz PUYPSEUYKUBVGF-OPRDCNLKSA-N 1 3 182.311 1.230 10 0 ADAEHO COC1(CN[C@@H]2CC[C@H]([NH3+])C2)CCC1 234749289 571932386 /nfs/dbraw/zinc/93/23/86/571932386.db2.gz LHCGTZKEBDIVMC-VHSXEESVSA-N 1 3 198.310 1.025 10 0 ADAEHO COC1(CN[C@H]2CC[C@@H]([NH3+])C2)CCC1 234753486 571932844 /nfs/dbraw/zinc/93/28/44/571932844.db2.gz LHCGTZKEBDIVMC-ZJUUUORDSA-N 1 3 198.310 1.025 10 0 ADAEHO COC1(CN[C@H]2CC[C@H]([NH3+])C2)CCC1 234753598 571933402 /nfs/dbraw/zinc/93/34/02/571933402.db2.gz LHCGTZKEBDIVMC-UWVGGRQHSA-N 1 3 198.310 1.025 10 0 ADAEHO COC1(CN[C@@H]2CC[C@@H]([NH3+])C2)CCC1 234749131 571934143 /nfs/dbraw/zinc/93/41/43/571934143.db2.gz LHCGTZKEBDIVMC-NXEZZACHSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@@H]1C[NH2+]CC1(C)C 711262806 571934418 /nfs/dbraw/zinc/93/44/18/571934418.db2.gz PUYPSEUYKUBVGF-KXUCPTDWSA-N 1 3 182.311 1.230 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N2C[C@H](C)[C@@H]2C)C1 712702013 571935429 /nfs/dbraw/zinc/93/54/29/571935429.db2.gz LJNJKTRAXFTFCF-YFKTTZPYSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N2C[C@H](C)[C@H]2C)C1 712702012 571935631 /nfs/dbraw/zinc/93/56/31/571935631.db2.gz LJNJKTRAXFTFCF-QCNOEVLYSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N2C[C@@H](C)[C@H]2C)C1 712702010 571935958 /nfs/dbraw/zinc/93/59/58/571935958.db2.gz LJNJKTRAXFTFCF-KKOKHZNYSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCCC2)C1 36875081 571937643 /nfs/dbraw/zinc/93/76/43/571937643.db2.gz JHSGSZANGSLLSE-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N2C[C@@H](C)[C@@H]2C)C1 712702011 571937704 /nfs/dbraw/zinc/93/77/04/571937704.db2.gz LJNJKTRAXFTFCF-KXNHARMFSA-N 1 3 196.338 1.857 10 0 ADAEHO NC(=[NH2+])CCN1CCC12CCCC2 687900659 571938445 /nfs/dbraw/zinc/93/84/45/571938445.db2.gz VSWRNXNBQMELRO-UHFFFAOYSA-N 1 3 181.283 1.331 10 0 ADAEHO C[C@@H](C[NH3+])CCN1CCC[C@@H](F)C1 689426227 571938896 /nfs/dbraw/zinc/93/88/96/571938896.db2.gz XFXSZVZASDHPEO-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H](C[NH3+])CCN1CCC[C@H](F)C1 689426244 571939139 /nfs/dbraw/zinc/93/91/39/571939139.db2.gz XFXSZVZASDHPEO-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H](N2CC[C@H]2C)C1 712707414 571939275 /nfs/dbraw/zinc/93/92/75/571939275.db2.gz YZCCYAGLAKXWKZ-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H](C[NH3+])CCN1CCC[C@@H](F)C1 689426238 571939339 /nfs/dbraw/zinc/93/93/39/571939339.db2.gz XFXSZVZASDHPEO-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO C[NH2+]C[C@@]1(C)CCN(CC(C)(C)C)C1 713141166 571939700 /nfs/dbraw/zinc/93/97/00/571939700.db2.gz NENQZBQQVLEUBW-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@]1(C)CC[N@H+](CC(C)(C)C)C1 713141166 571939703 /nfs/dbraw/zinc/93/97/03/571939703.db2.gz NENQZBQQVLEUBW-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@]1(C)CC[N@@H+](CC(C)(C)C)C1 713141166 571939706 /nfs/dbraw/zinc/93/97/06/571939706.db2.gz NENQZBQQVLEUBW-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H]([NH2+]C1(CN)CC1)c1ccccc1 235514975 571940101 /nfs/dbraw/zinc/94/01/01/571940101.db2.gz LTYIDIWSRBLZDH-JTQLQIEISA-N 1 3 190.290 1.829 10 0 ADAEHO C[NH2+]C[C@]1(C)CCN(CC(C)(C)C)C1 713141167 571940223 /nfs/dbraw/zinc/94/02/23/571940223.db2.gz NENQZBQQVLEUBW-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@]1(C)CC[N@H+](CC(C)(C)C)C1 713141167 571940226 /nfs/dbraw/zinc/94/02/26/571940226.db2.gz NENQZBQQVLEUBW-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@]1(C)CC[N@@H+](CC(C)(C)C)C1 713141167 571940230 /nfs/dbraw/zinc/94/02/30/571940230.db2.gz NENQZBQQVLEUBW-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CO[C@@H]1CCC[C@](C[NH3+])(NC2CC2)C1 234767435 571940625 /nfs/dbraw/zinc/94/06/25/571940625.db2.gz WATCWNVGBFDKHH-MNOVXSKESA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H](C[NH3+])CCN1CCC[C@H](F)C1 689426233 571940515 /nfs/dbraw/zinc/94/05/15/571940515.db2.gz XFXSZVZASDHPEO-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H](N2CC[C@@H]2C)C1 712707416 571941015 /nfs/dbraw/zinc/94/10/15/571941015.db2.gz YZCCYAGLAKXWKZ-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N2CC[C@@H]2C)C1 712707413 571941153 /nfs/dbraw/zinc/94/11/53/571941153.db2.gz YZCCYAGLAKXWKZ-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N(C)Cc1ncccc1C[NH3+] 300806027 571943185 /nfs/dbraw/zinc/94/31/85/571943185.db2.gz XEDQEPCOSCGSCZ-UHFFFAOYSA-N 1 3 193.294 1.381 10 0 ADAEHO C/C=C(/C)CN1[C@H]2CC[C@@H]1CC[NH2+]C2 687749780 571942960 /nfs/dbraw/zinc/94/29/60/571942960.db2.gz NPJIMOYGWPTDND-GOUGKVJDSA-N 1 3 194.322 1.779 10 0 ADAEHO CCC[C@H](C)[NH2+][C@]12CCC[C@@H]1CNC2 711322123 571943764 /nfs/dbraw/zinc/94/37/64/571943764.db2.gz VKIHAUAZFTXZFL-TUAOUCFPSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1(C)C[NH2+]C[C@@H]1CN1CC[C@@H]2C[C@@H]21 711320926 571944257 /nfs/dbraw/zinc/94/42/57/571944257.db2.gz HIEZVJKCWCETPJ-MXWKQRLJSA-N 1 3 194.322 1.326 10 0 ADAEHO C/C=C\CC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 687749749 571944220 /nfs/dbraw/zinc/94/42/20/571944220.db2.gz HVTVUOJGDZZUKV-QOHRHZLLSA-N 1 3 194.322 1.907 10 0 ADAEHO C/C=C\CC[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 687749749 571944223 /nfs/dbraw/zinc/94/42/23/571944223.db2.gz HVTVUOJGDZZUKV-QOHRHZLLSA-N 1 3 194.322 1.907 10 0 ADAEHO CC[C@H](C)[C@](C)(N)[C@@H]1CCCC[NH2+]1 687686865 571946545 /nfs/dbraw/zinc/94/65/45/571946545.db2.gz ZCTPSCMPSIPDSG-DCAQKATOSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H](C)[C@](C)([NH3+])[C@@H]1CCCCN1 687686865 571946546 /nfs/dbraw/zinc/94/65/46/571946546.db2.gz ZCTPSCMPSIPDSG-DCAQKATOSA-N 1 3 184.327 1.892 10 0 ADAEHO CN(C)CC[C@@H]([NH3+])CCCC(F)F 687907213 571944504 /nfs/dbraw/zinc/94/45/04/571944504.db2.gz QWCMCQGMDBVONR-QMMMGPOBSA-N 1 3 194.269 1.701 10 0 ADAEHO CC1(C)C[NH2+]C[C@@H]1CN1CC[C@H]2C[C@H]21 711320919 571944550 /nfs/dbraw/zinc/94/45/50/571944550.db2.gz HIEZVJKCWCETPJ-HBNTYKKESA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@H](CCN)[N@@H+]1C[C@@H]2CCCCC[C@H]21 687905072 571945150 /nfs/dbraw/zinc/94/51/50/571945150.db2.gz CDMVQGZUTQBBOM-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+]1C[C@@H]2CCCCC[C@H]21 687905072 571945153 /nfs/dbraw/zinc/94/51/53/571945153.db2.gz CDMVQGZUTQBBOM-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@@H+]1C[C@H]2CCCCC[C@@H]21 687905074 571945174 /nfs/dbraw/zinc/94/51/74/571945174.db2.gz CDMVQGZUTQBBOM-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+]1C[C@H]2CCCCC[C@@H]21 687905074 571945176 /nfs/dbraw/zinc/94/51/76/571945176.db2.gz CDMVQGZUTQBBOM-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(CCC(N)=[NH2+])CCC1CCCC1 300809400 571945431 /nfs/dbraw/zinc/94/54/31/571945431.db2.gz XAONCIQBTAAYCO-UHFFFAOYSA-N 1 3 197.326 1.825 10 0 ADAEHO C[C@H](CCN)[N@@H+]1C[C@H]2CCCCC[C@H]21 687905073 571945459 /nfs/dbraw/zinc/94/54/59/571945459.db2.gz CDMVQGZUTQBBOM-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+]1C[C@H]2CCCCC[C@H]21 687905073 571945463 /nfs/dbraw/zinc/94/54/63/571945463.db2.gz CDMVQGZUTQBBOM-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C/C=C(/C)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 687750040 571945574 /nfs/dbraw/zinc/94/55/74/571945574.db2.gz HCELRPINCRYDCS-ZVQHSTOPSA-N 1 3 194.322 1.907 10 0 ADAEHO C/C=C(/C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 687750040 571945576 /nfs/dbraw/zinc/94/55/76/571945576.db2.gz HCELRPINCRYDCS-ZVQHSTOPSA-N 1 3 194.322 1.907 10 0 ADAEHO C/C=C(/C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 687750040 571945580 /nfs/dbraw/zinc/94/55/80/571945580.db2.gz HCELRPINCRYDCS-ZVQHSTOPSA-N 1 3 194.322 1.907 10 0 ADAEHO C[C@H](CCN)[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687905075 571945884 /nfs/dbraw/zinc/94/58/84/571945884.db2.gz CDMVQGZUTQBBOM-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+]1C[C@@H]2CCCCC[C@@H]21 687905075 571945887 /nfs/dbraw/zinc/94/58/87/571945887.db2.gz CDMVQGZUTQBBOM-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@](N)(C(C)C)[C@@H]1CCC[NH2+]1 687686714 571948682 /nfs/dbraw/zinc/94/86/82/571948682.db2.gz ROFKLHBOVIIQSP-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO CCN[C@@H](C)C1([NH3+])CCCC1 687686874 571946011 /nfs/dbraw/zinc/94/60/11/571946011.db2.gz ZFVDLWNNWAJILD-QMMMGPOBSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H](C)[C@@](C)(N)[C@@H]1CCCC[NH2+]1 687686866 571946515 /nfs/dbraw/zinc/94/65/15/571946515.db2.gz ZCTPSCMPSIPDSG-GARJFASQSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H](C)[C@@](C)([NH3+])[C@@H]1CCCCN1 687686866 571946518 /nfs/dbraw/zinc/94/65/18/571946518.db2.gz ZCTPSCMPSIPDSG-GARJFASQSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@](C)([NH3+])[C@H]1CCCCN1 687686719 571946400 /nfs/dbraw/zinc/94/64/00/571946400.db2.gz RUZAWBDANSCPPS-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CC(C)[C@](C)(N)[C@H]1CCCC[NH2+]1 687686574 571946773 /nfs/dbraw/zinc/94/67/73/571946773.db2.gz JATKJGXDFNAWOW-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@](C)([NH3+])[C@H]1CCCCN1 687686574 571946776 /nfs/dbraw/zinc/94/67/76/571946776.db2.gz JATKJGXDFNAWOW-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@](C)([NH3+])[C@@H]1CCCCN1 687686717 571946887 /nfs/dbraw/zinc/94/68/87/571946887.db2.gz RUZAWBDANSCPPS-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CCN[C@H](C)C1([NH3+])CCC(C)CC1 687686583 571946897 /nfs/dbraw/zinc/94/68/97/571946897.db2.gz KANCMRLISKYPHF-HSOILSAZSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@](N)(C(C)C)[C@H]1CCC[NH2+]1 687686715 571946923 /nfs/dbraw/zinc/94/69/23/571946923.db2.gz ROFKLHBOVIIQSP-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CCN[C@@H](C)C1([NH3+])CCCCC1 687686731 571946931 /nfs/dbraw/zinc/94/69/31/571946931.db2.gz SODAFBGIJZTVFC-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO CC(C)[C@@](C)(N)[C@H]1CCCC[NH2+]1 687686571 571947186 /nfs/dbraw/zinc/94/71/86/571947186.db2.gz JATKJGXDFNAWOW-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@@](C)([NH3+])[C@H]1CCCCN1 687686571 571947188 /nfs/dbraw/zinc/94/71/88/571947188.db2.gz JATKJGXDFNAWOW-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@](C)(N)[C@@H]1CCCC[NH2+]1 687686572 571947201 /nfs/dbraw/zinc/94/72/01/571947201.db2.gz JATKJGXDFNAWOW-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@](C)([NH3+])[C@@H]1CCCCN1 687686572 571947204 /nfs/dbraw/zinc/94/72/04/571947204.db2.gz JATKJGXDFNAWOW-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO CN(C)CC[C@H]([NH3+])CCCC(F)F 687907212 571947289 /nfs/dbraw/zinc/94/72/89/571947289.db2.gz QWCMCQGMDBVONR-MRVPVSSYSA-N 1 3 194.269 1.701 10 0 ADAEHO CC[NH2+][C@@H](C)C(N)(CC)CC 687686498 571947379 /nfs/dbraw/zinc/94/73/79/571947379.db2.gz DSOSNKILDRITFO-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO CCN[C@@H](C)C([NH3+])(CC)CC 687686498 571947383 /nfs/dbraw/zinc/94/73/83/571947383.db2.gz DSOSNKILDRITFO-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO CC(C)[C@@](C)(N)[C@@H]1CCCC[NH2+]1 687686573 571947725 /nfs/dbraw/zinc/94/77/25/571947725.db2.gz JATKJGXDFNAWOW-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@@](C)([NH3+])[C@@H]1CCCCN1 687686573 571947729 /nfs/dbraw/zinc/94/77/29/571947729.db2.gz JATKJGXDFNAWOW-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@H](C)[C@](C)(N)[C@H]1CCCC[NH2+]1 687686864 571947780 /nfs/dbraw/zinc/94/77/80/571947780.db2.gz ZCTPSCMPSIPDSG-AXFHLTTASA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H](C)[C@](C)([NH3+])[C@H]1CCCCN1 687686864 571947781 /nfs/dbraw/zinc/94/77/81/571947781.db2.gz ZCTPSCMPSIPDSG-AXFHLTTASA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@](C)([NH3+])[C@H]1CCCCN1 687686716 571947901 /nfs/dbraw/zinc/94/79/01/571947901.db2.gz RUZAWBDANSCPPS-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@](C)([NH3+])[C@@H]1CCCCN1 687686718 571947960 /nfs/dbraw/zinc/94/79/60/571947960.db2.gz RUZAWBDANSCPPS-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H](C)[C@@](C)(N)[C@H]1CCCC[NH2+]1 687686867 571947966 /nfs/dbraw/zinc/94/79/66/571947966.db2.gz ZCTPSCMPSIPDSG-HBNTYKKESA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H](C)[C@@](C)([NH3+])[C@H]1CCCCN1 687686867 571947971 /nfs/dbraw/zinc/94/79/71/571947971.db2.gz ZCTPSCMPSIPDSG-HBNTYKKESA-N 1 3 184.327 1.892 10 0 ADAEHO C/C=C\CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 687750560 571948103 /nfs/dbraw/zinc/94/81/03/571948103.db2.gz WNMRLJQEKPJPHY-BQDGRVNRSA-N 1 3 180.295 1.517 10 0 ADAEHO NC(=[NH2+])SC[C@@H](N)c1ccccc1 31373725 571948179 /nfs/dbraw/zinc/94/81/79/571948179.db2.gz ULMTVBSYLBGZPX-MRVPVSSYSA-N 1 3 195.291 1.313 10 0 ADAEHO CC[C@@](N)(C(C)C)[C@H]1CCC[NH2+]1 687686712 571948299 /nfs/dbraw/zinc/94/82/99/571948299.db2.gz ROFKLHBOVIIQSP-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CCN[C@H](C)C1([NH3+])CCCC1 687686873 571948346 /nfs/dbraw/zinc/94/83/46/571948346.db2.gz ZFVDLWNNWAJILD-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@](N)(C(C)C)[C@@H]1CCC[NH2+]1 687686713 571948382 /nfs/dbraw/zinc/94/83/82/571948382.db2.gz ROFKLHBOVIIQSP-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO C/C=C(/C)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 687750666 571948398 /nfs/dbraw/zinc/94/83/98/571948398.db2.gz HCELRPINCRYDCS-JWQPPWAXSA-N 1 3 194.322 1.907 10 0 ADAEHO C/C=C(/C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 687750666 571948402 /nfs/dbraw/zinc/94/84/02/571948402.db2.gz HCELRPINCRYDCS-JWQPPWAXSA-N 1 3 194.322 1.907 10 0 ADAEHO C/C=C(/C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 687750666 571948406 /nfs/dbraw/zinc/94/84/06/571948406.db2.gz HCELRPINCRYDCS-JWQPPWAXSA-N 1 3 194.322 1.907 10 0 ADAEHO CCN[C@@H](C)C1([NH3+])CCC(C)CC1 687686584 571948644 /nfs/dbraw/zinc/94/86/44/571948644.db2.gz KANCMRLISKYPHF-YVNMAJEFSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[NH2+][C@H](C)C(N)(CC)CC 687686497 571948807 /nfs/dbraw/zinc/94/88/07/571948807.db2.gz DSOSNKILDRITFO-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CCN[C@H](C)C([NH3+])(CC)CC 687686497 571948808 /nfs/dbraw/zinc/94/88/08/571948808.db2.gz DSOSNKILDRITFO-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CC/C=C\C[N@H+]1[C@H]2CC[C@@H]1CCNC2 687750716 571948963 /nfs/dbraw/zinc/94/89/63/571948963.db2.gz DGGJZIZRBWOSKV-BKGLOODYSA-N 1 3 194.322 1.779 10 0 ADAEHO CC/C=C\C[N@@H+]1[C@H]2CC[C@@H]1CCNC2 687750716 571948967 /nfs/dbraw/zinc/94/89/67/571948967.db2.gz DGGJZIZRBWOSKV-BKGLOODYSA-N 1 3 194.322 1.779 10 0 ADAEHO C/C=C\CN1CC[C@H]([NH3+])C[C@H]1C 379329767 571949108 /nfs/dbraw/zinc/94/91/08/571949108.db2.gz CCRXKIRSQVVNEL-QKMQQOOLSA-N 1 3 168.284 1.374 10 0 ADAEHO CC[C@H](CN)C[NH+]1C[C@H](C)[C@@H](C)C1 219841214 571949149 /nfs/dbraw/zinc/94/91/49/571949149.db2.gz YIYXUXCRUUJOOB-GARJFASQSA-N 1 3 184.327 1.559 10 0 ADAEHO NC1CC([N@@H+]2C[C@@H]3CCCCC[C@H]32)C1 687909222 571949412 /nfs/dbraw/zinc/94/94/12/571949412.db2.gz XDRIDTFTWKDXSA-WNYYMSAVSA-N 1 3 194.322 1.741 10 0 ADAEHO NC1CC([N@H+]2C[C@@H]3CCCCC[C@H]32)C1 687909222 571949416 /nfs/dbraw/zinc/94/94/16/571949416.db2.gz XDRIDTFTWKDXSA-WNYYMSAVSA-N 1 3 194.322 1.741 10 0 ADAEHO CCN[C@H](C)C1([NH3+])CCCCC1 687686730 571949432 /nfs/dbraw/zinc/94/94/32/571949432.db2.gz SODAFBGIJZTVFC-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO C/C=C\CN1CC[C@H]([NH3+])C[C@@H]1C 379329766 571949444 /nfs/dbraw/zinc/94/94/44/571949444.db2.gz CCRXKIRSQVVNEL-CMIOBCHKSA-N 1 3 168.284 1.374 10 0 ADAEHO NC1CC([N@@H+]2C[C@H]3CCCCC[C@H]32)C1 687909218 571950649 /nfs/dbraw/zinc/95/06/49/571950649.db2.gz XDRIDTFTWKDXSA-HBIQZDMRSA-N 1 3 194.322 1.741 10 0 ADAEHO NC1CC([N@H+]2C[C@H]3CCCCC[C@H]32)C1 687909218 571950653 /nfs/dbraw/zinc/95/06/53/571950653.db2.gz XDRIDTFTWKDXSA-HBIQZDMRSA-N 1 3 194.322 1.741 10 0 ADAEHO N[C@@]1(C[NH3+])CC[C@@H]2CCCC[C@H]2C1 34423370 571951244 /nfs/dbraw/zinc/95/12/44/571951244.db2.gz MVNQSNQHRHFLAP-DCAQKATOSA-N 1 3 182.311 1.633 10 0 ADAEHO CC(C)NC[C@](C)([NH3+])C1CC1 40407471 571951809 /nfs/dbraw/zinc/95/18/09/571951809.db2.gz ABHUWNLMQCANSA-VIFPVBQESA-N 1 3 156.273 1.112 10 0 ADAEHO NC1CC([N@@H+]2C[C@@H]3CCCCC[C@@H]32)C1 687909224 571951911 /nfs/dbraw/zinc/95/19/11/571951911.db2.gz XDRIDTFTWKDXSA-XKGSQUFQSA-N 1 3 194.322 1.741 10 0 ADAEHO NC1CC([N@H+]2C[C@@H]3CCCCC[C@@H]32)C1 687909224 571951915 /nfs/dbraw/zinc/95/19/15/571951915.db2.gz XDRIDTFTWKDXSA-XKGSQUFQSA-N 1 3 194.322 1.741 10 0 ADAEHO CCCC[NH2+]CC[C@@H](C)N 40410048 571952036 /nfs/dbraw/zinc/95/20/36/571952036.db2.gz PBWJOWTZONVRFL-MRVPVSSYSA-N 1 3 144.262 1.113 10 0 ADAEHO NC1CC([N@@H+]2C[C@H]3CCCCC[C@@H]32)C1 687909226 571952091 /nfs/dbraw/zinc/95/20/91/571952091.db2.gz XDRIDTFTWKDXSA-YYJSSNLHSA-N 1 3 194.322 1.741 10 0 ADAEHO NC1CC([N@H+]2C[C@H]3CCCCC[C@@H]32)C1 687909226 571952093 /nfs/dbraw/zinc/95/20/93/571952093.db2.gz XDRIDTFTWKDXSA-YYJSSNLHSA-N 1 3 194.322 1.741 10 0 ADAEHO Cc1c(C[NH3+])c2ccccn2c1CN 40449522 571952187 /nfs/dbraw/zinc/95/21/87/571952187.db2.gz PEWCZAAKIUTQSS-UHFFFAOYSA-N 1 3 189.262 1.165 10 0 ADAEHO CC(C)NC[C@@](C)([NH3+])C1CC1 40407475 571952334 /nfs/dbraw/zinc/95/23/34/571952334.db2.gz ABHUWNLMQCANSA-SECBINFHSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@@]1(C[NH3+])CC[C@@H]2CCCC[C@@H]2C1 34423368 571952418 /nfs/dbraw/zinc/95/24/18/571952418.db2.gz MVNQSNQHRHFLAP-AXFHLTTASA-N 1 3 182.311 1.633 10 0 ADAEHO C[C@@H]1C[C@@H]2CCN(C)CC[C@@H]2[NH2+]1 76596911 571952765 /nfs/dbraw/zinc/95/27/65/571952765.db2.gz RZACDENGNOSREP-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO CCCC[C@@H]([NH3+])CNCC 40409379 571953678 /nfs/dbraw/zinc/95/36/78/571953678.db2.gz DRBQUKCQICWKEH-MRVPVSSYSA-N 1 3 144.262 1.113 10 0 ADAEHO CCCC[C@H]([NH3+])CNCC 40409375 571954061 /nfs/dbraw/zinc/95/40/61/571954061.db2.gz DRBQUKCQICWKEH-QMMMGPOBSA-N 1 3 144.262 1.113 10 0 ADAEHO CCC[NH+](CCC)C[C@@H](C)CN 11804688 571954428 /nfs/dbraw/zinc/95/44/28/571954428.db2.gz VCZSCOKOZRRWGQ-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+](C[C@H](C)CN)C1 11804660 571955159 /nfs/dbraw/zinc/95/51/59/571955159.db2.gz WUONXZWGQPLSIB-OUAUKWLOSA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+](C[C@H](C)CN)C1 11804660 571955162 /nfs/dbraw/zinc/95/51/62/571955162.db2.gz WUONXZWGQPLSIB-OUAUKWLOSA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@H](CN)C[NH+]1C[C@H](C)C[C@@H](C)C1 11804663 571955171 /nfs/dbraw/zinc/95/51/71/571955171.db2.gz WUONXZWGQPLSIB-GMTAPVOTSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@](C)(N)[C@H]1C[C@H](C)CC[NH2+]1 687688700 571956027 /nfs/dbraw/zinc/95/60/27/571956027.db2.gz ORXJQYHAHAUKMJ-MXWKQRLJSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@](C)([NH3+])[C@H]1C[C@H](C)CCN1 687688700 571956031 /nfs/dbraw/zinc/95/60/31/571956031.db2.gz ORXJQYHAHAUKMJ-MXWKQRLJSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@@](C)(N)C2CC2)C1 687688698 571956310 /nfs/dbraw/zinc/95/63/10/571956310.db2.gz OPCQZYUHBCLVGY-MIMYLULJSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CCN[C@H]([C@@](C)([NH3+])C2CC2)C1 687688698 571956313 /nfs/dbraw/zinc/95/63/13/571956313.db2.gz OPCQZYUHBCLVGY-MIMYLULJSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)[C@@](C)(N)[C@H]1C[C@H](C)CC[NH2+]1 687688699 571956333 /nfs/dbraw/zinc/95/63/33/571956333.db2.gz ORXJQYHAHAUKMJ-GMTAPVOTSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@@](C)([NH3+])[C@H]1C[C@H](C)CCN1 687688699 571956335 /nfs/dbraw/zinc/95/63/35/571956335.db2.gz ORXJQYHAHAUKMJ-GMTAPVOTSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@](C)(N)C2CC2)C1 687688696 571956398 /nfs/dbraw/zinc/95/63/98/571956398.db2.gz OPCQZYUHBCLVGY-FBIMIBRVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CCN[C@@H]([C@](C)([NH3+])C2CC2)C1 687688696 571956399 /nfs/dbraw/zinc/95/63/99/571956399.db2.gz OPCQZYUHBCLVGY-FBIMIBRVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@](C)(N)C2CC2)C1 687688695 571957107 /nfs/dbraw/zinc/95/71/07/571957107.db2.gz OPCQZYUHBCLVGY-DVVUODLYSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CCN[C@H]([C@](C)([NH3+])C2CC2)C1 687688695 571957110 /nfs/dbraw/zinc/95/71/10/571957110.db2.gz OPCQZYUHBCLVGY-DVVUODLYSA-N 1 3 182.311 1.502 10 0 ADAEHO CN(CC1CC1)C[C@H]1C[NH2+]CC1(C)C 711374949 571957222 /nfs/dbraw/zinc/95/72/22/571957222.db2.gz AAPJVLSSALHJQO-LLVKDONJSA-N 1 3 196.338 1.574 10 0 ADAEHO CN(CC1CC1)C[C@@H]1C[NH2+]CC1(C)C 711374955 571957382 /nfs/dbraw/zinc/95/73/82/571957382.db2.gz AAPJVLSSALHJQO-NSHDSACASA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)[C@@](C)(N)[C@@H]1C[C@H](C)CC[NH2+]1 687688701 571957401 /nfs/dbraw/zinc/95/74/01/571957401.db2.gz ORXJQYHAHAUKMJ-OUAUKWLOSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@@](C)([NH3+])[C@@H]1C[C@H](C)CCN1 687688701 571957405 /nfs/dbraw/zinc/95/74/05/571957405.db2.gz ORXJQYHAHAUKMJ-OUAUKWLOSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@](C)([NH3+])[C@H]1C[C@@H](C)CCN1 687688739 571959764 /nfs/dbraw/zinc/95/97/64/571959764.db2.gz TZYHGQRTSWYKFQ-AEJSXWLSSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@](C)(N)[C@@H]1C[C@H](C)CC[NH2+]1 687688702 571958398 /nfs/dbraw/zinc/95/83/98/571958398.db2.gz ORXJQYHAHAUKMJ-VWYCJHECSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@](C)([NH3+])[C@@H]1C[C@H](C)CCN1 687688702 571958402 /nfs/dbraw/zinc/95/84/02/571958402.db2.gz ORXJQYHAHAUKMJ-VWYCJHECSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@@](C)(N)C2CC2)C1 687688697 571958950 /nfs/dbraw/zinc/95/89/50/571958950.db2.gz OPCQZYUHBCLVGY-IEBDPFPHSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CCN[C@@H]([C@@](C)([NH3+])C2CC2)C1 687688697 571958955 /nfs/dbraw/zinc/95/89/55/571958955.db2.gz OPCQZYUHBCLVGY-IEBDPFPHSA-N 1 3 182.311 1.502 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CNC[C@H]2[C@@H]1CC[NH2+]1 687815685 571959410 /nfs/dbraw/zinc/95/94/10/571959410.db2.gz IZYSDQFAIBHCFW-KKOKHZNYSA-N 1 3 194.322 1.374 10 0 ADAEHO CC[C@](C)([NH3+])[C@@H]1C[C@@H](C)CCN1 687688741 571959517 /nfs/dbraw/zinc/95/95/17/571959517.db2.gz TZYHGQRTSWYKFQ-GUBZILKMSA-N 1 3 170.300 1.502 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CNC[C@@H]2[C@H]1CC[NH2+]1 687815686 571959712 /nfs/dbraw/zinc/95/97/12/571959712.db2.gz IZYSDQFAIBHCFW-WISYIIOYSA-N 1 3 194.322 1.374 10 0 ADAEHO CC[C@](C)([NH3+])[C@@H]1C[C@H](C)CCN1 687688742 571959720 /nfs/dbraw/zinc/95/97/20/571959720.db2.gz TZYHGQRTSWYKFQ-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C1 40718454 571960534 /nfs/dbraw/zinc/96/05/34/571960534.db2.gz QCHLZMWOGSMMOK-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2)C1 40718453 571959852 /nfs/dbraw/zinc/95/98/52/571959852.db2.gz QCHLZMWOGSMMOK-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C1 40718453 571959845 /nfs/dbraw/zinc/95/98/45/571959845.db2.gz QCHLZMWOGSMMOK-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2)C1 40718453 571959849 /nfs/dbraw/zinc/95/98/49/571959849.db2.gz QCHLZMWOGSMMOK-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@H+](CC[C@@H]2CCCCN2)C1 40718454 571960537 /nfs/dbraw/zinc/96/05/37/571960537.db2.gz QCHLZMWOGSMMOK-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@@H+](CC[C@@H]2CCCCN2)C1 40718454 571960538 /nfs/dbraw/zinc/96/05/38/571960538.db2.gz QCHLZMWOGSMMOK-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCN(C[C@](C)([NH3+])C2CC2)C1 40725333 571960287 /nfs/dbraw/zinc/96/02/87/571960287.db2.gz YGWSEJQIRZUEQE-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCN(C[C@](C)([NH3+])C2CC2)C1 40725335 571960696 /nfs/dbraw/zinc/96/06/96/571960696.db2.gz YGWSEJQIRZUEQE-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)NCC1([NH2+]C)CCC1 393338513 571960821 /nfs/dbraw/zinc/96/08/21/571960821.db2.gz OULFKYXAUAQTJQ-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO C1C[C@@H](CN(CC2CC2)C2CC2)C[NH2+]1 80369531 571961182 /nfs/dbraw/zinc/96/11/82/571961182.db2.gz RIKAXFZKOCFBEA-LLVKDONJSA-N 1 3 194.322 1.470 10 0 ADAEHO CC[NH2+][C@H](C)CCN1C[C@@H]2CC[C@H]1C2 687815844 571961189 /nfs/dbraw/zinc/96/11/89/571961189.db2.gz HISNRZGFEXWIIK-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@](C)([NH3+])[C@H]1C[C@H](C)CCN1 687688740 571961056 /nfs/dbraw/zinc/96/10/56/571961056.db2.gz TZYHGQRTSWYKFQ-BBBLOLIVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H](C)NCC1([NH2+]C)CCC1 393338512 571961378 /nfs/dbraw/zinc/96/13/78/571961378.db2.gz OULFKYXAUAQTJQ-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CNC[C@@H]2[C@@H]1CC[NH2+]1 687815687 571961908 /nfs/dbraw/zinc/96/19/08/571961908.db2.gz IZYSDQFAIBHCFW-WYUUTHIRSA-N 1 3 194.322 1.374 10 0 ADAEHO C1C[C@H](CN(CC2CC2)C2CC2)C[NH2+]1 80369533 571962154 /nfs/dbraw/zinc/96/21/54/571962154.db2.gz RIKAXFZKOCFBEA-NSHDSACASA-N 1 3 194.322 1.470 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1C[C@@H]2CC[C@H]1C2 687815840 571962450 /nfs/dbraw/zinc/96/24/50/571962450.db2.gz HISNRZGFEXWIIK-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@H]1C[C@H]1[NH2+]CCCN 385787469 571963918 /nfs/dbraw/zinc/96/39/18/571963918.db2.gz DINQFEJWRPESNW-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H]1C[C@H]1NCCC[NH3+] 385787469 571963923 /nfs/dbraw/zinc/96/39/23/571963923.db2.gz DINQFEJWRPESNW-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO C/C=C/CC[NH2+][C@H]1CCNCC1(C)C 300822554 571964488 /nfs/dbraw/zinc/96/44/88/571964488.db2.gz IXCXSMJFVOVYLG-ZWNMCFTASA-N 1 3 196.338 1.930 10 0 ADAEHO CO[C@H]1CCC[C@@](C[NH3+])(NC2CC2)C1 234799219 571964517 /nfs/dbraw/zinc/96/45/17/571964517.db2.gz WATCWNVGBFDKHH-WDEREUQCSA-N 1 3 198.310 1.025 10 0 ADAEHO CO[C@@H]1CCC[C@@](C[NH3+])(NC2CC2)C1 234801265 571965110 /nfs/dbraw/zinc/96/51/10/571965110.db2.gz WATCWNVGBFDKHH-GHMZBOCLSA-N 1 3 198.310 1.025 10 0 ADAEHO CCC[N@H+](C)[C@H](C)CCN 41042548 571967241 /nfs/dbraw/zinc/96/72/41/571967241.db2.gz IQDUGMQZCUBZDE-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[N@@H+](C)[C@H](C)CCN 41042548 571967243 /nfs/dbraw/zinc/96/72/43/571967243.db2.gz IQDUGMQZCUBZDE-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCCN(C)[C@H](C)CC[NH3+] 41042548 571967244 /nfs/dbraw/zinc/96/72/44/571967244.db2.gz IQDUGMQZCUBZDE-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[NH+](CCC)[C@@H](C)CCN 41042492 571967396 /nfs/dbraw/zinc/96/73/96/571967396.db2.gz WONUDSLPPUAGFY-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CC[C@@H]1CC[NH2+][C@H]([C@](C)(N)C2CC2)C1 687692628 571967405 /nfs/dbraw/zinc/96/74/05/571967405.db2.gz FHDSOBIZJHFBOR-ADEWGFFLSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1CCN[C@H]([C@](C)([NH3+])C2CC2)C1 687692628 571967409 /nfs/dbraw/zinc/96/74/09/571967409.db2.gz FHDSOBIZJHFBOR-ADEWGFFLSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@H]1CCN[C@@H](C(C)(C)[NH3+])C1 687692617 571967426 /nfs/dbraw/zinc/96/74/26/571967426.db2.gz CJXMTXQWWVILRN-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCC[N@H+](C)[C@H](C)CCN 41042512 571967445 /nfs/dbraw/zinc/96/74/45/571967445.db2.gz KXBLYVYIAZEVFK-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCCC[N@@H+](C)[C@H](C)CCN 41042512 571967447 /nfs/dbraw/zinc/96/74/47/571967447.db2.gz KXBLYVYIAZEVFK-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCCCN(C)[C@H](C)CC[NH3+] 41042512 571967450 /nfs/dbraw/zinc/96/74/50/571967450.db2.gz KXBLYVYIAZEVFK-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@@H]1CC[NH2+][C@@H]([C@](C)(N)C2CC2)C1 687692631 571967823 /nfs/dbraw/zinc/96/78/23/571967823.db2.gz FHDSOBIZJHFBOR-YUSALJHKSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1CCN[C@@H]([C@](C)([NH3+])C2CC2)C1 687692631 571967830 /nfs/dbraw/zinc/96/78/30/571967830.db2.gz FHDSOBIZJHFBOR-YUSALJHKSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[N@H+](C)[C@@H](C)CCN 41042547 571968336 /nfs/dbraw/zinc/96/83/36/571968336.db2.gz IQDUGMQZCUBZDE-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC(C)[N@H+](C)[C@H](C)CCN 41042489 571968126 /nfs/dbraw/zinc/96/81/26/571968126.db2.gz VJSKWDRTWUYVPM-MRVPVSSYSA-N 1 3 144.262 1.064 10 0 ADAEHO CC(C)[N@@H+](C)[C@H](C)CCN 41042489 571968129 /nfs/dbraw/zinc/96/81/29/571968129.db2.gz VJSKWDRTWUYVPM-MRVPVSSYSA-N 1 3 144.262 1.064 10 0 ADAEHO CC(C)N(C)[C@H](C)CC[NH3+] 41042489 571968132 /nfs/dbraw/zinc/96/81/32/571968132.db2.gz VJSKWDRTWUYVPM-MRVPVSSYSA-N 1 3 144.262 1.064 10 0 ADAEHO CCC[N@@H+](C)[C@@H](C)CCN 41042547 571968338 /nfs/dbraw/zinc/96/83/38/571968338.db2.gz IQDUGMQZCUBZDE-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CCCN(C)[C@@H](C)CC[NH3+] 41042547 571968339 /nfs/dbraw/zinc/96/83/39/571968339.db2.gz IQDUGMQZCUBZDE-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC(C)[N@H+](C)[C@@H](C)CCN 41042488 571968486 /nfs/dbraw/zinc/96/84/86/571968486.db2.gz VJSKWDRTWUYVPM-QMMMGPOBSA-N 1 3 144.262 1.064 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H](C)CCN 41042488 571968491 /nfs/dbraw/zinc/96/84/91/571968491.db2.gz VJSKWDRTWUYVPM-QMMMGPOBSA-N 1 3 144.262 1.064 10 0 ADAEHO CC(C)N(C)[C@@H](C)CC[NH3+] 41042488 571968494 /nfs/dbraw/zinc/96/84/94/571968494.db2.gz VJSKWDRTWUYVPM-QMMMGPOBSA-N 1 3 144.262 1.064 10 0 ADAEHO CCCC[N@H+](C)[C@@H](C)CCN 41042511 571968656 /nfs/dbraw/zinc/96/86/56/571968656.db2.gz KXBLYVYIAZEVFK-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCCC[N@@H+](C)[C@@H](C)CCN 41042511 571968659 /nfs/dbraw/zinc/96/86/59/571968659.db2.gz KXBLYVYIAZEVFK-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCCCN(C)[C@@H](C)CC[NH3+] 41042511 571968662 /nfs/dbraw/zinc/96/86/62/571968662.db2.gz KXBLYVYIAZEVFK-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)NCCC[NH2+]C(C)(C)C 41042061 571968774 /nfs/dbraw/zinc/96/87/74/571968774.db2.gz BWEOWXJEKLPWJI-UHFFFAOYSA-N 1 3 172.316 1.763 10 0 ADAEHO CC(C)[NH2+]CCCNC(C)(C)C 41042061 571968778 /nfs/dbraw/zinc/96/87/78/571968778.db2.gz BWEOWXJEKLPWJI-UHFFFAOYSA-N 1 3 172.316 1.763 10 0 ADAEHO C[C@H](CCN)[N@H+](C)C1CCCCC1 41042499 571968920 /nfs/dbraw/zinc/96/89/20/571968920.db2.gz BLUFPJDRLVIYLM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)C1CCCCC1 41042499 571968923 /nfs/dbraw/zinc/96/89/23/571968923.db2.gz BLUFPJDRLVIYLM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H]1CCN[C@H](C(C)(C)[NH3+])C1 687692618 571969255 /nfs/dbraw/zinc/96/92/55/571969255.db2.gz CJXMTXQWWVILRN-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[NH+](CCC)[C@H](C)CCN 41042493 571969310 /nfs/dbraw/zinc/96/93/10/571969310.db2.gz WONUDSLPPUAGFY-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)CCN)C1 41042504 571969427 /nfs/dbraw/zinc/96/94/27/571969427.db2.gz YPVNGPBTHJGPFY-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)CCN)C1 41042504 571969432 /nfs/dbraw/zinc/96/94/32/571969432.db2.gz YPVNGPBTHJGPFY-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CC[NH2+][C@@H]([C@@](C)(N)C2CC2)C1 687692629 571969651 /nfs/dbraw/zinc/96/96/51/571969651.db2.gz FHDSOBIZJHFBOR-JLLWLGSASA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1CCN[C@@H]([C@@](C)([NH3+])C2CC2)C1 687692629 571969653 /nfs/dbraw/zinc/96/96/53/571969653.db2.gz FHDSOBIZJHFBOR-JLLWLGSASA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1CC[NH2+][C@H]([C@@](C)(N)C2CC2)C1 687692630 571969717 /nfs/dbraw/zinc/96/97/17/571969717.db2.gz FHDSOBIZJHFBOR-USWWRNFRSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1CCN[C@H]([C@@](C)([NH3+])C2CC2)C1 687692630 571969722 /nfs/dbraw/zinc/96/97/22/571969722.db2.gz FHDSOBIZJHFBOR-USWWRNFRSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1CCN[C@@H](C(C)(C)[NH3+])C1 687692619 571969818 /nfs/dbraw/zinc/96/98/18/571969818.db2.gz CJXMTXQWWVILRN-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1CCN[C@H](C(C)(C)[NH3+])C1 687692616 571970091 /nfs/dbraw/zinc/97/00/91/571970091.db2.gz CJXMTXQWWVILRN-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCCCN1 81038768 571970207 /nfs/dbraw/zinc/97/02/07/571970207.db2.gz NYUFJTREPQYMGZ-GARJFASQSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](NCCC2CCC2)C1 401636413 571970933 /nfs/dbraw/zinc/97/09/33/571970933.db2.gz DBWLTPYKTGJKLO-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)CNC[C@@H]1CCCCC[NH2+]1 81038153 571970949 /nfs/dbraw/zinc/97/09/49/571970949.db2.gz RPHOASSKXUWTNI-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)CNC[C@H]1CCCCC[NH2+]1 81038154 571971585 /nfs/dbraw/zinc/97/15/85/571971585.db2.gz RPHOASSKXUWTNI-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]CCCN)[C@@H]1C 68624697 571971756 /nfs/dbraw/zinc/97/17/56/571971756.db2.gz AOPKHTALSHHYNJ-AXFHLTTASA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)CC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 41067048 571971919 /nfs/dbraw/zinc/97/19/19/571971919.db2.gz FVLUXWAZKQGENK-YOGCLGLASA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)CC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 41067048 571971922 /nfs/dbraw/zinc/97/19/22/571971922.db2.gz FVLUXWAZKQGENK-YOGCLGLASA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]CCCN)[C@@H]1C 68624701 571972134 /nfs/dbraw/zinc/97/21/34/571972134.db2.gz AOPKHTALSHHYNJ-HBNTYKKESA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCCN1 81038765 571972531 /nfs/dbraw/zinc/97/25/31/571972531.db2.gz NYUFJTREPQYMGZ-DCAQKATOSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1CN(C/C=C/C[NH3+])CCCO1 300829429 571973273 /nfs/dbraw/zinc/97/32/73/571973273.db2.gz FCQXATNKWZFQSW-PGLGOXFNSA-N 1 3 198.310 1.002 10 0 ADAEHO CC[NH2+]CCNC[C@@H](C)C(C)C 81068703 571973625 /nfs/dbraw/zinc/97/36/25/571973625.db2.gz ZBIFJVZHUDPCTO-SNVBAGLBSA-N 1 3 172.316 1.478 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@@H]1CCCNC1 81068427 571973764 /nfs/dbraw/zinc/97/37/64/571973764.db2.gz LECWCPSZDSYANG-NWDGAFQWSA-N 1 3 198.354 1.868 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@@H]1CCCNC1 81068432 571973780 /nfs/dbraw/zinc/97/37/80/571973780.db2.gz LECWCPSZDSYANG-VXGBXAGGSA-N 1 3 198.354 1.868 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]CC[C@@H](C)N 81069080 571974414 /nfs/dbraw/zinc/97/44/14/571974414.db2.gz KJTUIMWALOURMD-VHSXEESVSA-N 1 3 172.316 1.605 10 0 ADAEHO CN[C@H]1CC[N@H+](C[C@@H](C)C(C)C)C1 81065356 571974512 /nfs/dbraw/zinc/97/45/12/571974512.db2.gz JURXKUYBZMIDGX-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H]1CC[N@@H+](C[C@@H](C)C(C)C)C1 81065356 571974515 /nfs/dbraw/zinc/97/45/15/571974515.db2.gz JURXKUYBZMIDGX-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[NH2+]CCNC[C@@H](C)C(C)C 81068528 571974664 /nfs/dbraw/zinc/97/46/64/571974664.db2.gz OSQPSJBAWALNQM-LLVKDONJSA-N 1 3 186.343 1.868 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@H]1CCCN1 81068141 571974684 /nfs/dbraw/zinc/97/46/84/571974684.db2.gz GECIDQFBBYAUJK-WDEREUQCSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@@H](C)CN 81069123 571974799 /nfs/dbraw/zinc/97/47/99/571974799.db2.gz BXWQPSFVDNKCTH-UWVGGRQHSA-N 1 3 172.316 1.463 10 0 ADAEHO CN[C@H]1CC[N@H+](C[C@H](C)C(C)C)C1 81065353 571974837 /nfs/dbraw/zinc/97/48/37/571974837.db2.gz JURXKUYBZMIDGX-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H]1CC[N@@H+](C[C@H](C)C(C)C)C1 81065353 571974839 /nfs/dbraw/zinc/97/48/39/571974839.db2.gz JURXKUYBZMIDGX-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@H](C)CN 81069137 571974859 /nfs/dbraw/zinc/97/48/59/571974859.db2.gz BXWQPSFVDNKCTH-NXEZZACHSA-N 1 3 172.316 1.463 10 0 ADAEHO C[NH2+]CCNC[C@H](C)C(C)C 81068789 571974988 /nfs/dbraw/zinc/97/49/88/571974988.db2.gz HKTJIJTWUXFPDX-VIFPVBQESA-N 1 3 158.289 1.088 10 0 ADAEHO CNC[C@H]1CC[N@H+](C[C@@H](C)C(C)C)C1 81079199 571975029 /nfs/dbraw/zinc/97/50/29/571975029.db2.gz CKJWJMCUNXUSSF-VXGBXAGGSA-N 1 3 198.354 1.820 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C[C@@H](C)C(C)C)C1 81079199 571975031 /nfs/dbraw/zinc/97/50/31/571975031.db2.gz CKJWJMCUNXUSSF-VXGBXAGGSA-N 1 3 198.354 1.820 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]CC[C@H](C)N 81069090 571975090 /nfs/dbraw/zinc/97/50/90/571975090.db2.gz KJTUIMWALOURMD-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)[C@@H](C)C[N@@H+]1CC[C@H](CN)C1 81079171 571975161 /nfs/dbraw/zinc/97/51/61/571975161.db2.gz PNWZUVBXWLGOHO-WDEREUQCSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@@H](C)C[N@H+]1CC[C@H](CN)C1 81079171 571975163 /nfs/dbraw/zinc/97/51/63/571975163.db2.gz PNWZUVBXWLGOHO-WDEREUQCSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[NH2+]CCNC[C@H](C)C(C)C 81068708 571975176 /nfs/dbraw/zinc/97/51/76/571975176.db2.gz ZBIFJVZHUDPCTO-JTQLQIEISA-N 1 3 172.316 1.478 10 0 ADAEHO C[NH2+]C1CCN(C[C@H](C)C(C)C)CC1 81078984 571975226 /nfs/dbraw/zinc/97/52/26/571975226.db2.gz KSQCBCYHSZAHAX-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CNC1CC[NH+](C[C@H](C)C(C)C)CC1 81078984 571975230 /nfs/dbraw/zinc/97/52/30/571975230.db2.gz KSQCBCYHSZAHAX-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C(C)(C)CNC[C@H](C)C(C)C 81068879 571975931 /nfs/dbraw/zinc/97/59/31/571975931.db2.gz JEOPYKCLKRBFIS-JTQLQIEISA-N 1 3 186.343 1.866 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@H](CN)C1 81079179 571975251 /nfs/dbraw/zinc/97/52/51/571975251.db2.gz PNWZUVBXWLGOHO-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1CC[C@H](CN)C1 81079179 571975253 /nfs/dbraw/zinc/97/52/53/571975253.db2.gz PNWZUVBXWLGOHO-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CCNCCC[NH2+]C[C@@H](C)C(C)C 81069165 571975402 /nfs/dbraw/zinc/97/54/02/571975402.db2.gz AKXQCWGTCKNPBE-LLVKDONJSA-N 1 3 186.343 1.868 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]CCCN 81069043 571975490 /nfs/dbraw/zinc/97/54/90/571975490.db2.gz IIIFIFXGLAMOLT-VIFPVBQESA-N 1 3 158.289 1.217 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]CC[C@H](C)N 81069096 571975568 /nfs/dbraw/zinc/97/55/68/571975568.db2.gz KJTUIMWALOURMD-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO CNCCC[NH2+]C[C@@H](C)C(C)C 81068697 571975605 /nfs/dbraw/zinc/97/56/05/571975605.db2.gz SGTJKSRPUCTLEC-SNVBAGLBSA-N 1 3 172.316 1.478 10 0 ADAEHO C[NH2+]CCNC[C@@H](C)C(C)C 81068793 571975657 /nfs/dbraw/zinc/97/56/57/571975657.db2.gz HKTJIJTWUXFPDX-SECBINFHSA-N 1 3 158.289 1.088 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@H]1CCCNC1 81068436 571975668 /nfs/dbraw/zinc/97/56/68/571975668.db2.gz LECWCPSZDSYANG-NEPJUHHUSA-N 1 3 198.354 1.868 10 0 ADAEHO C[NH2+]C1CCN(C[C@@H](C)C(C)C)CC1 81078991 571975718 /nfs/dbraw/zinc/97/57/18/571975718.db2.gz KSQCBCYHSZAHAX-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC1CC[NH+](C[C@@H](C)C(C)C)CC1 81078991 571975723 /nfs/dbraw/zinc/97/57/23/571975723.db2.gz KSQCBCYHSZAHAX-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@H]1CCCNC1 81068435 571975748 /nfs/dbraw/zinc/97/57/48/571975748.db2.gz LECWCPSZDSYANG-RYUDHWBXSA-N 1 3 198.354 1.868 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@H](C)CN 81069132 571975815 /nfs/dbraw/zinc/97/58/15/571975815.db2.gz BXWQPSFVDNKCTH-ZJUUUORDSA-N 1 3 172.316 1.463 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@@H](C)C(C)C 81079670 571975837 /nfs/dbraw/zinc/97/58/37/571975837.db2.gz CHGAEXGTOXOWBP-ZJUUUORDSA-N 1 3 172.316 1.476 10 0 ADAEHO CNC[C@H]1CC[N@H+](C[C@H](C)C(C)C)C1 81079196 571976020 /nfs/dbraw/zinc/97/60/20/571976020.db2.gz CKJWJMCUNXUSSF-NWDGAFQWSA-N 1 3 198.354 1.820 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C[C@H](C)C(C)C)C1 81079196 571976022 /nfs/dbraw/zinc/97/60/22/571976022.db2.gz CKJWJMCUNXUSSF-NWDGAFQWSA-N 1 3 198.354 1.820 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@@H]1CCCN1 81068135 571976237 /nfs/dbraw/zinc/97/62/37/571976237.db2.gz GECIDQFBBYAUJK-QWRGUYRKSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@@H](C)CN 81069131 571976267 /nfs/dbraw/zinc/97/62/67/571976267.db2.gz BXWQPSFVDNKCTH-VHSXEESVSA-N 1 3 172.316 1.463 10 0 ADAEHO CNCCC[NH2+]C[C@H](C)C(C)C 81068695 571976361 /nfs/dbraw/zinc/97/63/61/571976361.db2.gz SGTJKSRPUCTLEC-JTQLQIEISA-N 1 3 172.316 1.478 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]CCCN 81069046 571976384 /nfs/dbraw/zinc/97/63/84/571976384.db2.gz IIIFIFXGLAMOLT-SECBINFHSA-N 1 3 158.289 1.217 10 0 ADAEHO [NH3+]C1(c2ccc3c(c2)CNC3)CC1 139782941 571976468 /nfs/dbraw/zinc/97/64/68/571976468.db2.gz FZMHJWUPJATYFS-UHFFFAOYSA-N 1 3 174.247 1.238 10 0 ADAEHO CCC[NH2+]CCNC[C@H](C)C(C)C 81068532 571976552 /nfs/dbraw/zinc/97/65/52/571976552.db2.gz OSQPSJBAWALNQM-NSHDSACASA-N 1 3 186.343 1.868 10 0 ADAEHO CCCN(CC)[C@@H](C)[C@H]1CC[NH2+]C1 400686202 571977156 /nfs/dbraw/zinc/97/71/56/571977156.db2.gz YCJPSWYQESTVRN-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH+](C)CCCN1CCCC1 41167303 571976928 /nfs/dbraw/zinc/97/69/28/571976928.db2.gz QCFORFVJZWGNAK-UHFFFAOYSA-N 1 3 156.273 1.034 10 0 ADAEHO CCCN(CC)[C@H](C)[C@H]1CC[NH2+]C1 400686201 571977002 /nfs/dbraw/zinc/97/70/02/571977002.db2.gz YCJPSWYQESTVRN-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN(CC)[C@@H](C)[C@@H]1CC[NH2+]C1 400686204 571977235 /nfs/dbraw/zinc/97/72/35/571977235.db2.gz YCJPSWYQESTVRN-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CCC[C@]([NH3+])(C2CNC2)C1 687695114 571978700 /nfs/dbraw/zinc/97/87/00/571978700.db2.gz FWZRXBHSGWEZIT-WCBMZHEXSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@@](N)(c1ccc(F)cc1)C1C[NH2+]C1 687695217 571978845 /nfs/dbraw/zinc/97/88/45/571978845.db2.gz WLQSORQCHNMBBA-LLVKDONJSA-N 1 3 194.253 1.219 10 0 ADAEHO N[C@@]1(C2C[NH2+]C2)CCc2ccccc21 687695181 571978907 /nfs/dbraw/zinc/97/89/07/571978907.db2.gz PHUKIVCQJZRJDB-GFCCVEGCSA-N 1 3 188.274 1.006 10 0 ADAEHO N[C@]1(C2C[NH2+]C2)CCc2ccccc21 687695182 571979094 /nfs/dbraw/zinc/97/90/94/571979094.db2.gz PHUKIVCQJZRJDB-LBPRGKRZSA-N 1 3 188.274 1.006 10 0 ADAEHO Cc1cccc([C@](C)(N)C2C[NH2+]C2)c1 687695168 571979766 /nfs/dbraw/zinc/97/97/66/571979766.db2.gz NVHLFDHSZSGVFR-LBPRGKRZSA-N 1 3 190.290 1.388 10 0 ADAEHO Cc1ccccc1[C@@](C)(N)C1C[NH2+]C1 687695091 571979774 /nfs/dbraw/zinc/97/97/74/571979774.db2.gz AEYPJGXSAIHLPQ-LBPRGKRZSA-N 1 3 190.290 1.388 10 0 ADAEHO Cc1ccccc1[C@](C)(N)C1C[NH2+]C1 687695090 571979718 /nfs/dbraw/zinc/97/97/18/571979718.db2.gz AEYPJGXSAIHLPQ-GFCCVEGCSA-N 1 3 190.290 1.388 10 0 ADAEHO CCCCC[NH2+]C[C@@H]1CCCNC1 41202810 571980018 /nfs/dbraw/zinc/98/00/18/571980018.db2.gz VZGYQORXFJMVJZ-NSHDSACASA-N 1 3 184.327 1.766 10 0 ADAEHO Cc1cccc([C@@](C)(N)C2C[NH2+]C2)c1 687695167 571980071 /nfs/dbraw/zinc/98/00/71/571980071.db2.gz NVHLFDHSZSGVFR-GFCCVEGCSA-N 1 3 190.290 1.388 10 0 ADAEHO C[C@@](N)(c1ccccc1)C1C[NH2+]C1 687695126 571980105 /nfs/dbraw/zinc/98/01/05/571980105.db2.gz GMNKPVAMSTUFAH-LLVKDONJSA-N 1 3 176.263 1.080 10 0 ADAEHO C[C@](N)(c1ccc(F)cc1)C1C[NH2+]C1 687695218 571980164 /nfs/dbraw/zinc/98/01/64/571980164.db2.gz WLQSORQCHNMBBA-NSHDSACASA-N 1 3 194.253 1.219 10 0 ADAEHO CNc1ccccc1C[NH2+][C@@H](C)CN 234479291 571980361 /nfs/dbraw/zinc/98/03/61/571980361.db2.gz PYEDRYNSHIHFNF-VIFPVBQESA-N 1 3 193.294 1.165 10 0 ADAEHO CC[C@@](N)(C(C)C)[C@@H]1C=CC[NH2+]1 687695353 571980970 /nfs/dbraw/zinc/98/09/70/571980970.db2.gz GDOJTZABOUJVDG-VHSXEESVSA-N 1 3 168.284 1.278 10 0 ADAEHO CC[C@@H](N)CC[NH2+][C@H](C)C1CC1 398014739 571981650 /nfs/dbraw/zinc/98/16/50/571981650.db2.gz VTBNCRLBLRYBSW-PSASIEDQSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCCC[NH2+]C[C@H]1CCCNC1 41202813 571981654 /nfs/dbraw/zinc/98/16/54/571981654.db2.gz VZGYQORXFJMVJZ-LLVKDONJSA-N 1 3 184.327 1.766 10 0 ADAEHO C[C@H]1CCC[NH2+][C@@H]1CNCC1(C)CC1 235549375 571981826 /nfs/dbraw/zinc/98/18/26/571981826.db2.gz IAOSEJQPUSQPMR-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@](N)(C(C)C)[C@H]1C=CC[NH2+]1 687695354 571981884 /nfs/dbraw/zinc/98/18/84/571981884.db2.gz GDOJTZABOUJVDG-ZJUUUORDSA-N 1 3 168.284 1.278 10 0 ADAEHO CC[C@@](N)(C(C)C)[C@H]1C=CC[NH2+]1 687695351 571981910 /nfs/dbraw/zinc/98/19/10/571981910.db2.gz GDOJTZABOUJVDG-NXEZZACHSA-N 1 3 168.284 1.278 10 0 ADAEHO CC[C@](N)(C(C)C)[C@@H]1C=CC[NH2+]1 687695352 571982748 /nfs/dbraw/zinc/98/27/48/571982748.db2.gz GDOJTZABOUJVDG-UWVGGRQHSA-N 1 3 168.284 1.278 10 0 ADAEHO C[C@H]1CCC[NH2+][C@@H]1CNCC1CC1 235549457 571983422 /nfs/dbraw/zinc/98/34/22/571983422.db2.gz IXLGEILHWCNPBA-GXSJLCMTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CCC[NH2+][C@@H]1CNCCC1CC1 235549487 571983475 /nfs/dbraw/zinc/98/34/75/571983475.db2.gz FAFYGRXMSUSXFV-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCCC[C@]1(N)[C@@H]1C=CC[NH2+]1 687695447 571983919 /nfs/dbraw/zinc/98/39/19/571983919.db2.gz XTXXLTNQLXTSLQ-OUAUKWLOSA-N 1 3 180.295 1.422 10 0 ADAEHO C[C@@H]1CCCC[C@@]1(N)[C@H]1C=CC[NH2+]1 687695446 571984313 /nfs/dbraw/zinc/98/43/13/571984313.db2.gz XTXXLTNQLXTSLQ-MXWKQRLJSA-N 1 3 180.295 1.422 10 0 ADAEHO C[C@@H]1CCCC[C@@]1(N)[C@@H]1C=CC[NH2+]1 687695448 571985039 /nfs/dbraw/zinc/98/50/39/571985039.db2.gz XTXXLTNQLXTSLQ-VWYCJHECSA-N 1 3 180.295 1.422 10 0 ADAEHO CC(C)(C)C[N@@H+]1C[C@H]2CCNC[C@H]2C1 713174256 571985290 /nfs/dbraw/zinc/98/52/90/571985290.db2.gz DSYGYKULPUBQCM-MNOVXSKESA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)(C)C[N@H+]1C[C@H]2CCNC[C@H]2C1 713174256 571985293 /nfs/dbraw/zinc/98/52/93/571985293.db2.gz DSYGYKULPUBQCM-MNOVXSKESA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)(C)C[N@H+]1C[C@@H]2CNCC[C@H]2C1 713174260 571985334 /nfs/dbraw/zinc/98/53/34/571985334.db2.gz DSYGYKULPUBQCM-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)(C)C[N@@H+]1C[C@@H]2CNCC[C@H]2C1 713174260 571985338 /nfs/dbraw/zinc/98/53/38/571985338.db2.gz DSYGYKULPUBQCM-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@@H]1C[C@@H]1CN[C@H]1C[NH2+]C[C@@H](C)C1 401766743 571986027 /nfs/dbraw/zinc/98/60/27/571986027.db2.gz YVAHNHANFMEGKL-IRCOFANPSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1C[C@@H](C(C)(C)C)NCC[NH2+]1 196165139 571986680 /nfs/dbraw/zinc/98/66/80/571986680.db2.gz PMNUDVUTKPIKPH-BDAKNGLRSA-N 1 3 170.300 1.373 10 0 ADAEHO CNc1nccn1CCCC[NH+](C)C 234492360 571987510 /nfs/dbraw/zinc/98/75/10/571987510.db2.gz PFTLDDNVTJZICI-UHFFFAOYSA-N 1 3 196.298 1.267 10 0 ADAEHO C[C@H]1C[C@@H](C(C)(C)C)NCC[NH2+]1 196165145 571987206 /nfs/dbraw/zinc/98/72/06/571987206.db2.gz PMNUDVUTKPIKPH-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO C1CC[C@@H](S[C@H]2CC[NH2+]C2)NC1 687768793 571987347 /nfs/dbraw/zinc/98/73/47/571987347.db2.gz DSILQXLPJFQHEN-DTWKUNHWSA-N 1 3 186.324 1.181 10 0 ADAEHO C1CC[C@@H](S[C@@H]2CC[NH2+]C2)NC1 687768795 571987652 /nfs/dbraw/zinc/98/76/52/571987652.db2.gz DSILQXLPJFQHEN-RKDXNWHRSA-N 1 3 186.324 1.181 10 0 ADAEHO C[C@H]1C[C@H](C(C)(C)C)NCC[NH2+]1 196165135 571987759 /nfs/dbraw/zinc/98/77/59/571987759.db2.gz PMNUDVUTKPIKPH-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO C1CC[C@H](S[C@@H]2CC[NH2+]C2)NC1 687768792 571987832 /nfs/dbraw/zinc/98/78/32/571987832.db2.gz DSILQXLPJFQHEN-BDAKNGLRSA-N 1 3 186.324 1.181 10 0 ADAEHO C1CC[C@H](S[C@H]2CC[NH2+]C2)NC1 687768794 571987955 /nfs/dbraw/zinc/98/79/55/571987955.db2.gz DSILQXLPJFQHEN-IUCAKERBSA-N 1 3 186.324 1.181 10 0 ADAEHO [NH3+]Cc1c(C2CCC2)[nH]c2c1CNC2 214658604 571988748 /nfs/dbraw/zinc/98/87/48/571988748.db2.gz UFIAWWYPMONHRT-UHFFFAOYSA-N 1 3 191.278 1.344 10 0 ADAEHO C1C[NH2+][C@]2(C1)CC[C@@H]1CCNC[C@@H]12 687769388 571989022 /nfs/dbraw/zinc/98/90/22/571989022.db2.gz CCXJVTWMJFEWTC-OUAUKWLOSA-N 1 3 180.295 1.128 10 0 ADAEHO C1C[NH2+][C@]2(C1)CC[C@@H]1CCNC[C@H]12 687769385 571989290 /nfs/dbraw/zinc/98/92/90/571989290.db2.gz CCXJVTWMJFEWTC-GMTAPVOTSA-N 1 3 180.295 1.128 10 0 ADAEHO C1C[NH2+][C@]2(C1)CC[C@H]1CCNC[C@@H]12 687769380 571990285 /nfs/dbraw/zinc/99/02/85/571990285.db2.gz CCXJVTWMJFEWTC-GARJFASQSA-N 1 3 180.295 1.128 10 0 ADAEHO C[NH2+]C[C@@H](C)CN(C)CCC1CC1 300216327 571990253 /nfs/dbraw/zinc/99/02/53/571990253.db2.gz OAOFDGKHEHOZAA-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[N@H+](C)CCC1CC1 300216327 571990255 /nfs/dbraw/zinc/99/02/55/571990255.db2.gz OAOFDGKHEHOZAA-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[N@@H+](C)CCC1CC1 300216327 571990257 /nfs/dbraw/zinc/99/02/57/571990257.db2.gz OAOFDGKHEHOZAA-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO C1C[NH2+][C@]2(C1)CC[C@H]1CCNC[C@H]12 687769387 571990370 /nfs/dbraw/zinc/99/03/70/571990370.db2.gz CCXJVTWMJFEWTC-HBNTYKKESA-N 1 3 180.295 1.128 10 0 ADAEHO CNc1nccn1[C@@H](C)CC[NH+](C)C 234497928 571990778 /nfs/dbraw/zinc/99/07/78/571990778.db2.gz LETKRKLZSRGTAZ-VIFPVBQESA-N 1 3 196.298 1.438 10 0 ADAEHO C[NH2+]C[C@@H](C)CN(C)c1ccncc1 300215622 571991977 /nfs/dbraw/zinc/99/19/77/571991977.db2.gz GCIDDFLGRMGINE-SNVBAGLBSA-N 1 3 193.294 1.373 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[C@H]1C2 687771922 571992335 /nfs/dbraw/zinc/99/23/35/571992335.db2.gz NPANQIGYDGDEFU-WRWGMCAJSA-N 1 3 194.322 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771922 571992338 /nfs/dbraw/zinc/99/23/38/571992338.db2.gz NPANQIGYDGDEFU-WRWGMCAJSA-N 1 3 194.322 1.611 10 0 ADAEHO C[NH2+]C1CCN(C[C@@H]2CC2(C)C)CC1 234345977 571993115 /nfs/dbraw/zinc/99/31/15/571993115.db2.gz HTYWDDJSRNCNTE-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO CNC1CC[NH+](C[C@@H]2CC2(C)C)CC1 234345977 571993117 /nfs/dbraw/zinc/99/31/17/571993117.db2.gz HTYWDDJSRNCNTE-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1C[C@@H]2CC[C@H]1C2 687771919 571993522 /nfs/dbraw/zinc/99/35/22/571993522.db2.gz NPANQIGYDGDEFU-KXNHARMFSA-N 1 3 194.322 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771919 571993526 /nfs/dbraw/zinc/99/35/26/571993526.db2.gz NPANQIGYDGDEFU-KXNHARMFSA-N 1 3 194.322 1.611 10 0 ADAEHO CN[C@H]1CCC[C@@H]1[N@@H+]1C[C@@H]2CC[C@H]1C2 687771921 571993810 /nfs/dbraw/zinc/99/38/10/571993810.db2.gz NPANQIGYDGDEFU-RHYQMDGZSA-N 1 3 194.322 1.611 10 0 ADAEHO CN[C@H]1CCC[C@@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771921 571993812 /nfs/dbraw/zinc/99/38/12/571993812.db2.gz NPANQIGYDGDEFU-RHYQMDGZSA-N 1 3 194.322 1.611 10 0 ADAEHO C[NH2+]CCN[C@H]1CCC[C@@H](C)CC1 234385551 571994930 /nfs/dbraw/zinc/99/49/30/571994930.db2.gz COKMXDORSPCVGK-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO CN[C@@H](C)[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H]1C2 687772306 571995024 /nfs/dbraw/zinc/99/50/24/571995024.db2.gz JYBGQPSYESNHFH-ZDCRXTMVSA-N 1 3 182.311 1.467 10 0 ADAEHO CN[C@@H](C)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772306 571995026 /nfs/dbraw/zinc/99/50/26/571995026.db2.gz JYBGQPSYESNHFH-ZDCRXTMVSA-N 1 3 182.311 1.467 10 0 ADAEHO C[NH2+]CCN[C@@H]1CCC[C@H](C)CC1 234385340 571995206 /nfs/dbraw/zinc/99/52/06/571995206.db2.gz COKMXDORSPCVGK-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO [NH3+][C@H]1CCCc2c1[nH]c1ccncc21 74279017 571995700 /nfs/dbraw/zinc/99/57/00/571995700.db2.gz JYSNHYVLNOPRSO-VIFPVBQESA-N 1 3 187.246 1.899 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)c1ccncc1 234383576 571995711 /nfs/dbraw/zinc/99/57/11/571995711.db2.gz GCIDDFLGRMGINE-JTQLQIEISA-N 1 3 193.294 1.373 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]1C2 687772305 571995849 /nfs/dbraw/zinc/99/58/49/571995849.db2.gz JYBGQPSYESNHFH-YTWAJWBKSA-N 1 3 182.311 1.467 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772305 571995851 /nfs/dbraw/zinc/99/58/51/571995851.db2.gz JYBGQPSYESNHFH-YTWAJWBKSA-N 1 3 182.311 1.467 10 0 ADAEHO CN[C@@H](C)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]1C2 687772304 571996369 /nfs/dbraw/zinc/99/63/69/571996369.db2.gz JYBGQPSYESNHFH-MMWGEVLESA-N 1 3 182.311 1.467 10 0 ADAEHO CN[C@@H](C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772304 571996374 /nfs/dbraw/zinc/99/63/74/571996374.db2.gz JYBGQPSYESNHFH-MMWGEVLESA-N 1 3 182.311 1.467 10 0 ADAEHO CN[C@H](C)[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H]1C2 687772303 571996866 /nfs/dbraw/zinc/99/68/66/571996866.db2.gz JYBGQPSYESNHFH-DBIOUOCHSA-N 1 3 182.311 1.467 10 0 ADAEHO CN[C@H](C)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772303 571996871 /nfs/dbraw/zinc/99/68/71/571996871.db2.gz JYBGQPSYESNHFH-DBIOUOCHSA-N 1 3 182.311 1.467 10 0 ADAEHO C[NH2+]CCN[C@@H]1CCC[C@@H](C)CC1 234385319 571997046 /nfs/dbraw/zinc/99/70/46/571997046.db2.gz COKMXDORSPCVGK-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO C[NH2+]C(C)(C)CNC[C@H]1CC1(C)C 234386923 571997995 /nfs/dbraw/zinc/99/79/95/571997995.db2.gz NYACQSVBDQITRQ-SECBINFHSA-N 1 3 184.327 1.620 10 0 ADAEHO C[NH2+]C(C)(C)CNC[C@@H]1CC1(C)C 234386792 571998110 /nfs/dbraw/zinc/99/81/10/571998110.db2.gz NYACQSVBDQITRQ-VIFPVBQESA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H](C[NH3+])N1CC[C@@H](CF)C1 711520321 571998733 /nfs/dbraw/zinc/99/87/33/571998733.db2.gz PGXOBCAWVRZARR-VHSXEESVSA-N 1 3 188.290 1.261 10 0 ADAEHO C[NH2+]C(C)(C)CNCC1(C)CCC1 234386481 571998478 /nfs/dbraw/zinc/99/84/78/571998478.db2.gz GCSWLKDCNNMEFN-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO C[NH2+]C(C)(C)CNCC1(C)CC1 234386457 571998489 /nfs/dbraw/zinc/99/84/89/571998489.db2.gz OSDARDCRKUTZTG-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO CCCC[C@H](C)C[NH2+]CCCN 300871375 571998517 /nfs/dbraw/zinc/99/85/17/571998517.db2.gz DUGXLNBMJGNFRO-JTQLQIEISA-N 1 3 172.316 1.751 10 0 ADAEHO CC(C)C[C@@H](N)[C@@H](C)[NH+](C)C 74342071 571998538 /nfs/dbraw/zinc/99/85/38/571998538.db2.gz XMJXZZPNMHDVQP-RKDXNWHRSA-N 1 3 158.289 1.310 10 0 ADAEHO CC(C)=CCNC[C@H]1CC[N@@H+](C)C1 234387545 571998704 /nfs/dbraw/zinc/99/87/04/571998704.db2.gz NEHSXYYNAGZCTC-LLVKDONJSA-N 1 3 182.311 1.494 10 0 ADAEHO CC(C)=CCNC[C@H]1CC[N@H+](C)C1 234387545 571998705 /nfs/dbraw/zinc/99/87/05/571998705.db2.gz NEHSXYYNAGZCTC-LLVKDONJSA-N 1 3 182.311 1.494 10 0 ADAEHO Cc1csc(C[NH2+]CC(C)(C)N)c1 393445825 571998904 /nfs/dbraw/zinc/99/89/04/571998904.db2.gz YXDMLLJWXLNBCV-UHFFFAOYSA-N 1 3 198.335 1.883 10 0 ADAEHO CCCC[C@@H](C)C[NH2+]CCCN 300871376 571998946 /nfs/dbraw/zinc/99/89/46/571998946.db2.gz DUGXLNBMJGNFRO-SNVBAGLBSA-N 1 3 172.316 1.751 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H]2C)C1 401881325 571999366 /nfs/dbraw/zinc/99/93/66/571999366.db2.gz QNJIRWBYLWLQLQ-ZRUFSTJUSA-N 1 3 182.311 1.230 10 0 ADAEHO CCC[N@@H+]1CC2(CC2)CNCC1(C)C 219578243 571999567 /nfs/dbraw/zinc/99/95/67/571999567.db2.gz DZXFWSJOQPPCRM-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CC2(CC2)CNCC1(C)C 219578243 571999569 /nfs/dbraw/zinc/99/95/69/571999569.db2.gz DZXFWSJOQPPCRM-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCN1CC2(CC2)C[NH2+]CC1(C)C 219578243 571999570 /nfs/dbraw/zinc/99/95/70/571999570.db2.gz DZXFWSJOQPPCRM-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C(C)(C)CNCC1(C2CC2)CC1 234386606 571999618 /nfs/dbraw/zinc/99/96/18/571999618.db2.gz ZTLHDIJKHBTAMK-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@@H](C[NH3+])N1CC[C@H](CF)C1 711520319 571999664 /nfs/dbraw/zinc/99/96/64/571999664.db2.gz PGXOBCAWVRZARR-NXEZZACHSA-N 1 3 188.290 1.261 10 0 ADAEHO CC(C)[C@H](C[NH3+])N1CC[C@H](CF)C1 711520322 571999888 /nfs/dbraw/zinc/99/98/88/571999888.db2.gz PGXOBCAWVRZARR-ZJUUUORDSA-N 1 3 188.290 1.261 10 0 ADAEHO CCCCC[N@@H+]1CCCC2(CNC2)C1 219572738 572000073 /nfs/dbraw/zinc/00/00/73/572000073.db2.gz ICIWYWJKDLEFSO-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO CCCCC[N@H+]1CCCC2(CNC2)C1 219572738 572000076 /nfs/dbraw/zinc/00/00/76/572000076.db2.gz ICIWYWJKDLEFSO-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO CN[C@@H](C[N@@H+]1CCCC1(C)C)C1CC1 68897576 572000538 /nfs/dbraw/zinc/00/05/38/572000538.db2.gz PFTSDECYDGEYBH-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C[N@H+]1CCCC1(C)C)C1CC1 68897576 572000542 /nfs/dbraw/zinc/00/05/42/572000542.db2.gz PFTSDECYDGEYBH-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CCC(C)(C)CN(C)C[C@H]1CC[NH2+]C1 713183735 572001750 /nfs/dbraw/zinc/00/17/50/572001750.db2.gz TYDDZZUNODVHIW-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1C[C@H](NC)C1CC1 68894748 572002698 /nfs/dbraw/zinc/00/26/98/572002698.db2.gz AERRWSZGMNUXKE-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1CCC[N@H+]1C[C@H](NC)C1CC1 68894748 572002702 /nfs/dbraw/zinc/00/27/02/572002702.db2.gz AERRWSZGMNUXKE-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CNc1nccn1[C@H](C)CC[NH+](C)C 234502973 572002783 /nfs/dbraw/zinc/00/27/83/572002783.db2.gz LETKRKLZSRGTAZ-SECBINFHSA-N 1 3 196.298 1.438 10 0 ADAEHO CN[C@H](C[N@@H+]1CCCC1(C)C)C1CC1 68897580 572003483 /nfs/dbraw/zinc/00/34/83/572003483.db2.gz PFTSDECYDGEYBH-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H](C[N@H+]1CCCC1(C)C)C1CC1 68897580 572003484 /nfs/dbraw/zinc/00/34/84/572003484.db2.gz PFTSDECYDGEYBH-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](CCCNC1CC1)CC1CC1 68946789 572004336 /nfs/dbraw/zinc/00/43/36/572004336.db2.gz QPVYZJNOTDMHMF-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@@H+](CCCNC1CC1)CC1CC1 68946789 572004340 /nfs/dbraw/zinc/00/43/40/572004340.db2.gz QPVYZJNOTDMHMF-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(CCC[NH2+]C1CC1)CC1CC1 68946789 572004343 /nfs/dbraw/zinc/00/43/43/572004343.db2.gz QPVYZJNOTDMHMF-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H](C)CCN 68946348 572004546 /nfs/dbraw/zinc/00/45/46/572004546.db2.gz OWZUYLDHBNYKRU-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H](C)CCN 68946348 572004547 /nfs/dbraw/zinc/00/45/47/572004547.db2.gz OWZUYLDHBNYKRU-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC[C@H](C)[NH3+])CC1CC1 68946879 572005345 /nfs/dbraw/zinc/00/53/45/572005345.db2.gz ZNROSFIQKHTOJD-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CCN)[N@H+](CC)CC1CC1 68946346 572004927 /nfs/dbraw/zinc/00/49/27/572004927.db2.gz DVYIWONPGRYWFJ-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CCN)[N@@H+](CC)CC1CC1 68946346 572004928 /nfs/dbraw/zinc/00/49/28/572004928.db2.gz DVYIWONPGRYWFJ-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[C@@]1(CN[C@@H]2C[C@H]2C)CC[NH2+]C1 300223760 572005114 /nfs/dbraw/zinc/00/51/14/572005114.db2.gz GZLPEKOCKKXVFB-UTUOFQBUSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H](CCN)[N@H+](CC)CC1CC1 68946344 572005254 /nfs/dbraw/zinc/00/52/54/572005254.db2.gz DVYIWONPGRYWFJ-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](CC)CC1CC1 68946344 572005257 /nfs/dbraw/zinc/00/52/57/572005257.db2.gz DVYIWONPGRYWFJ-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[C@]1(CN[C@H]2C[C@H]2C)CC[NH2+]C1 300223758 572005280 /nfs/dbraw/zinc/00/52/80/572005280.db2.gz GZLPEKOCKKXVFB-GRYCIOLGSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[N@H+](CC[C@H](C)N)CC1CC1 68946879 572005340 /nfs/dbraw/zinc/00/53/40/572005340.db2.gz ZNROSFIQKHTOJD-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](CC[C@H](C)N)CC1CC1 68946879 572005343 /nfs/dbraw/zinc/00/53/43/572005343.db2.gz ZNROSFIQKHTOJD-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@@]1(CN[C@H]2C[C@H]2C)CC[NH2+]C1 300223761 572005854 /nfs/dbraw/zinc/00/58/54/572005854.db2.gz GZLPEKOCKKXVFB-WOPDTQHZSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H](C)NCC[C@@H]1CCC[NH2+]1 42172274 572007563 /nfs/dbraw/zinc/00/75/63/572007563.db2.gz GDGBMYURXFQGLY-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)[C@]1(CN[C@@H]2C[C@H]2C)CC[NH2+]C1 300223759 572005824 /nfs/dbraw/zinc/00/58/24/572005824.db2.gz GZLPEKOCKKXVFB-IJLUTSLNSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1CN 68946370 572006081 /nfs/dbraw/zinc/00/60/81/572006081.db2.gz CJGNXZBUJIHSFU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1CN 68946370 572006085 /nfs/dbraw/zinc/00/60/85/572006085.db2.gz CJGNXZBUJIHSFU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)NCC[C@H]1CCC[NH2+]1 42172262 572007100 /nfs/dbraw/zinc/00/71/00/572007100.db2.gz BBNYNWKJNZINOW-SECBINFHSA-N 1 3 156.273 1.127 10 0 ADAEHO CC(C)NCC[C@@H]1CCC[NH2+]1 42172259 572007725 /nfs/dbraw/zinc/00/77/25/572007725.db2.gz BBNYNWKJNZINOW-VIFPVBQESA-N 1 3 156.273 1.127 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H](C)CCN 42456456 572017288 /nfs/dbraw/zinc/01/72/88/572017288.db2.gz HQMJZECVYZUOHX-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H](C)CCN 42456456 572017289 /nfs/dbraw/zinc/01/72/89/572017289.db2.gz HQMJZECVYZUOHX-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H]1CCC[NH2+][C@@H]1CNC[C@H]1C[C@H]1C 300227594 572007934 /nfs/dbraw/zinc/00/79/34/572007934.db2.gz DSZGTKJCHSUHBJ-IRCOFANPSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)CC[N@H+](C)C[C@H](C)CN 42308444 572009342 /nfs/dbraw/zinc/00/93/42/572009342.db2.gz BEKTYRAMMMHNNA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)CC[N@@H+](C)C[C@H](C)CN 42308444 572009345 /nfs/dbraw/zinc/00/93/45/572009345.db2.gz BEKTYRAMMMHNNA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)CCN(C)C[C@H](C)C[NH3+] 42308444 572009349 /nfs/dbraw/zinc/00/93/49/572009349.db2.gz BEKTYRAMMMHNNA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[N@H+](CCCN)CCC(C)C 34960285 572009380 /nfs/dbraw/zinc/00/93/80/572009380.db2.gz ZQAPGGBRHBUBIB-UHFFFAOYSA-N 1 3 172.316 1.703 10 0 ADAEHO CC[N@@H+](CCCN)CCC(C)C 34960285 572009383 /nfs/dbraw/zinc/00/93/83/572009383.db2.gz ZQAPGGBRHBUBIB-UHFFFAOYSA-N 1 3 172.316 1.703 10 0 ADAEHO CCN(CCC[NH3+])CCC(C)C 34960285 572009385 /nfs/dbraw/zinc/00/93/85/572009385.db2.gz ZQAPGGBRHBUBIB-UHFFFAOYSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[N@H+](CCCN)CC(C)C 34960338 572009494 /nfs/dbraw/zinc/00/94/94/572009494.db2.gz BSSNPWCAVGDVMX-UHFFFAOYSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[N@@H+](CCCN)CC(C)C 34960338 572009495 /nfs/dbraw/zinc/00/94/95/572009495.db2.gz BSSNPWCAVGDVMX-UHFFFAOYSA-N 1 3 172.316 1.703 10 0 ADAEHO CC(C)CC[N@H+](C)C[C@@H](C)CN 42308442 572010498 /nfs/dbraw/zinc/01/04/98/572010498.db2.gz BEKTYRAMMMHNNA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)CC[N@@H+](C)C[C@@H](C)CN 42308442 572010501 /nfs/dbraw/zinc/01/05/01/572010501.db2.gz BEKTYRAMMMHNNA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)CCN(C)C[C@@H](C)C[NH3+] 42308442 572010502 /nfs/dbraw/zinc/01/05/02/572010502.db2.gz BEKTYRAMMMHNNA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CCC[N@H+](CCCN)C(C)C 34960347 572011362 /nfs/dbraw/zinc/01/13/62/572011362.db2.gz BTVVPGMENIYJBA-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](CCCN)C(C)C 34960347 572011364 /nfs/dbraw/zinc/01/13/64/572011364.db2.gz BTVVPGMENIYJBA-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@@H]1CCC[C@@H]1N 68948352 572011721 /nfs/dbraw/zinc/01/17/21/572011721.db2.gz BQZBDVCJEKBJBB-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@@H]1CCC[C@@H]1N 68948352 572011724 /nfs/dbraw/zinc/01/17/24/572011724.db2.gz BQZBDVCJEKBJBB-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC[C@H](CC)N1CC[C@H]([NH3+])C1 68988969 572011857 /nfs/dbraw/zinc/01/18/57/572011857.db2.gz QCCPPARPYKEDMX-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCN(CC1CC1)C[C@H]1C[NH2+]C[C@@H]1C 68947643 572011885 /nfs/dbraw/zinc/01/18/85/572011885.db2.gz VJSVZRBYIZJMRM-CMPLNLGQSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H](CCN)[NH2+]C[C@@H]1CCC[C@H]1C 300231464 572012357 /nfs/dbraw/zinc/01/23/57/572012357.db2.gz CMGDETAMBFCXQZ-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[N@H+](CC1CC1)CC(C)(C)CNC 68948426 572012408 /nfs/dbraw/zinc/01/24/08/572012408.db2.gz AVWQKQTUNPPPRM-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[N@@H+](CC1CC1)CC(C)(C)CNC 68948426 572012411 /nfs/dbraw/zinc/01/24/11/572012411.db2.gz AVWQKQTUNPPPRM-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CCN(CC[C@H]1CCC[NH2+]1)CC1CC1 68947673 572012699 /nfs/dbraw/zinc/01/26/99/572012699.db2.gz FHDQTXLGTVQXNK-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(CC1CC1)C[C@@H]1C[NH2+]C[C@@H]1C 68947642 572012860 /nfs/dbraw/zinc/01/28/60/572012860.db2.gz VJSVZRBYIZJMRM-JQWIXIFHSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H](CCN)[NH2+]C[C@H]1CCC[C@H]1C 300231463 572012921 /nfs/dbraw/zinc/01/29/21/572012921.db2.gz CMGDETAMBFCXQZ-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CCN(CC1CC1)[C@@H](C)CC(N)=[NH2+] 68947268 572012996 /nfs/dbraw/zinc/01/29/96/572012996.db2.gz DKUBSNQPPCCRQZ-QMMMGPOBSA-N 1 3 183.299 1.433 10 0 ADAEHO CCN(CC[C@@H]1CCC[NH2+]1)CC1CC1 68947671 572013019 /nfs/dbraw/zinc/01/30/19/572013019.db2.gz FHDQTXLGTVQXNK-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H](C)CCNC 68948654 572015035 /nfs/dbraw/zinc/01/50/35/572015035.db2.gz SYMHLYVICNXKEN-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H](C)CCNC 68948654 572015038 /nfs/dbraw/zinc/01/50/38/572015038.db2.gz SYMHLYVICNXKEN-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CCC(C[NH3+])(c2ccco2)CC1 33487121 572015076 /nfs/dbraw/zinc/01/50/76/572015076.db2.gz AVQDWVUCOOBCSP-UHFFFAOYSA-N 1 3 194.278 1.202 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CNCC1(C)CC1 235578560 572015124 /nfs/dbraw/zinc/01/51/24/572015124.db2.gz NDLGQNUEBQKSJV-VHSXEESVSA-N 1 3 182.311 1.232 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@H](C)CNC 68948617 572015242 /nfs/dbraw/zinc/01/52/42/572015242.db2.gz KYXFCNSLBFYOGA-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@H](C)CNC 68948617 572015246 /nfs/dbraw/zinc/01/52/46/572015246.db2.gz KYXFCNSLBFYOGA-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)C1CCCCC1 35221555 572015929 /nfs/dbraw/zinc/01/59/29/572015929.db2.gz IDYZVBJSNOOFTB-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CN(C)Cc1ccc(C(C)(C)[NH3+])cc1 33487317 572015765 /nfs/dbraw/zinc/01/57/65/572015765.db2.gz CUZTUOJHWQNLRX-UHFFFAOYSA-N 1 3 192.306 1.942 10 0 ADAEHO CCC(C)(C)[N@H+](C)C[C@H](C)CN 68994979 572015847 /nfs/dbraw/zinc/01/58/47/572015847.db2.gz DMMOZZPUDQYUKR-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC(C)(C)[N@@H+](C)C[C@H](C)CN 68994979 572015850 /nfs/dbraw/zinc/01/58/50/572015850.db2.gz DMMOZZPUDQYUKR-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+]1C[C@H](CN)CC[C@@H]1C 42427351 572015865 /nfs/dbraw/zinc/01/58/65/572015865.db2.gz SSEKCXGZNFLPIB-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+]1C[C@H](CN)CC[C@@H]1C 42427351 572015870 /nfs/dbraw/zinc/01/58/70/572015870.db2.gz SSEKCXGZNFLPIB-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](N)CC[N@H+](C)C1CCCCC1 35221555 572015926 /nfs/dbraw/zinc/01/59/26/572015926.db2.gz IDYZVBJSNOOFTB-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@H](CN)CC(C)(C)C 300235869 572016087 /nfs/dbraw/zinc/01/60/87/572016087.db2.gz GRTHUCWAEHZGQX-VWYCJHECSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 42427352 572016039 /nfs/dbraw/zinc/01/60/39/572016039.db2.gz SSEKCXGZNFLPIB-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+]1C[C@@H](CN)CC[C@@H]1C 42427352 572016040 /nfs/dbraw/zinc/01/60/40/572016040.db2.gz SSEKCXGZNFLPIB-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)Cc1cccc(C(C)(C)[NH3+])c1 33487314 572016233 /nfs/dbraw/zinc/01/62/33/572016233.db2.gz QCEJODDMEKZJGZ-UHFFFAOYSA-N 1 3 192.306 1.942 10 0 ADAEHO NCCC[NH2+]CCC1CCCC1 82202149 572016255 /nfs/dbraw/zinc/01/62/55/572016255.db2.gz MCMACKUHDGUZIQ-UHFFFAOYSA-N 1 3 170.300 1.505 10 0 ADAEHO CCC(C)(C)[N@H+](C)[C@H](C)CCN 68994910 572016268 /nfs/dbraw/zinc/01/62/68/572016268.db2.gz LGJAQFIGSIBWHW-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(C)(C)[N@@H+](C)[C@H](C)CCN 68994910 572016271 /nfs/dbraw/zinc/01/62/71/572016271.db2.gz LGJAQFIGSIBWHW-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(C)(C)[N@H+](C)C[C@@H](C)CN 68994974 572016738 /nfs/dbraw/zinc/01/67/38/572016738.db2.gz DMMOZZPUDQYUKR-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CCC(C)(C)[N@@H+](C)C[C@@H](C)CN 68994974 572016743 /nfs/dbraw/zinc/01/67/43/572016743.db2.gz DMMOZZPUDQYUKR-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H](C)CCNC 68948656 572017059 /nfs/dbraw/zinc/01/70/59/572017059.db2.gz SYMHLYVICNXKEN-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H](C)CCNC 68948656 572017061 /nfs/dbraw/zinc/01/70/61/572017061.db2.gz SYMHLYVICNXKEN-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC(C)(C)N(C)C[C@H]1CC[NH2+]C1 68998315 572017384 /nfs/dbraw/zinc/01/73/84/572017384.db2.gz TZLYYKWGAGTWLB-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](CC1CCC1)[C@H]1CC[C@H](N)C1 300237923 572017398 /nfs/dbraw/zinc/01/73/98/572017398.db2.gz GFKRMKXZJSYWLT-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](CC1CCC1)[C@H]1CC[C@H](N)C1 300237923 572017399 /nfs/dbraw/zinc/01/73/99/572017399.db2.gz GFKRMKXZJSYWLT-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC(C)(C)N(C)C[C@@H]1CC[NH2+]C1 68998312 572018035 /nfs/dbraw/zinc/01/80/35/572018035.db2.gz TZLYYKWGAGTWLB-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](CC1CCC1)[C@H]1CC[C@H]1CN 300238186 572018043 /nfs/dbraw/zinc/01/80/43/572018043.db2.gz KTPQLCSNCRBKPM-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC1CCC1)[C@H]1CC[C@H]1CN 300238186 572018046 /nfs/dbraw/zinc/01/80/46/572018046.db2.gz KTPQLCSNCRBKPM-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1CCC[C@H]1C 300239974 572018163 /nfs/dbraw/zinc/01/81/63/572018163.db2.gz BVSMGWPHBVOTDT-UTUOFQBUSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC(C)(C)N(C)C[C@@H](C)C(N)=[NH2+] 68998945 572018167 /nfs/dbraw/zinc/01/81/67/572018167.db2.gz HATTVQSTVWDWAA-MRVPVSSYSA-N 1 3 185.315 1.679 10 0 ADAEHO CC[N@H+](CC1CCC1)[C@@H]1CC[C@H](N)C1 300237922 572018271 /nfs/dbraw/zinc/01/82/71/572018271.db2.gz GFKRMKXZJSYWLT-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](CC1CCC1)[C@@H]1CC[C@H](N)C1 300237922 572018275 /nfs/dbraw/zinc/01/82/75/572018275.db2.gz GFKRMKXZJSYWLT-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1CC[NH+](C2CCNCC2)CC1 42446897 572018373 /nfs/dbraw/zinc/01/83/73/572018373.db2.gz AWUFPLNLHBCAID-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC1CCN(C2CC[NH2+]CC2)CC1 42446897 572018376 /nfs/dbraw/zinc/01/83/76/572018376.db2.gz AWUFPLNLHBCAID-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@@H+](CC1CCC1)[C@@H]1CC[C@H]1CN 300238185 572019237 /nfs/dbraw/zinc/01/92/37/572019237.db2.gz KTPQLCSNCRBKPM-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC(C)(C)[N@H+](C)CCCNC 68997268 572019244 /nfs/dbraw/zinc/01/92/44/572019244.db2.gz ABMWKVZTJQJBJG-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC(C)(C)[N@@H+](C)CCCNC 68997268 572019245 /nfs/dbraw/zinc/01/92/45/572019245.db2.gz ABMWKVZTJQJBJG-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H](C)CCN 42456454 572018849 /nfs/dbraw/zinc/01/88/49/572018849.db2.gz HQMJZECVYZUOHX-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H](C)CCN 42456454 572018853 /nfs/dbraw/zinc/01/88/53/572018853.db2.gz HQMJZECVYZUOHX-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)CCN(C)[C@@H](C)CC[NH3+] 42456454 572018857 /nfs/dbraw/zinc/01/88/57/572018857.db2.gz HQMJZECVYZUOHX-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@H+](CC1CCC1)[C@@H]1CC[C@H]1CN 300238185 572019234 /nfs/dbraw/zinc/01/92/34/572019234.db2.gz KTPQLCSNCRBKPM-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC(C)(C)[N@H+](C)CC[C@@H](C)N 68996482 572019466 /nfs/dbraw/zinc/01/94/66/572019466.db2.gz KKJMCKURUMEPFW-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(C)(C)N(C)[C@@H](C)CC(N)=[NH2+] 68998906 572019421 /nfs/dbraw/zinc/01/94/21/572019421.db2.gz AFYYYCJRCZWTDQ-QMMMGPOBSA-N 1 3 185.315 1.821 10 0 ADAEHO CCC(C)(C)[N@@H+](C)CC[C@@H](C)N 68996482 572019469 /nfs/dbraw/zinc/01/94/69/572019469.db2.gz KKJMCKURUMEPFW-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](N)C[N@@H+]1CCCSCC1 42444944 572019868 /nfs/dbraw/zinc/01/98/68/572019868.db2.gz XKKZZTCSRWZRRZ-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO CC[C@H](N)C[N@H+]1CCCSCC1 42444944 572019871 /nfs/dbraw/zinc/01/98/71/572019871.db2.gz XKKZZTCSRWZRRZ-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO C[NH+](C)C(C)(C)[C@H](N)CC1CC1 82400761 572023068 /nfs/dbraw/zinc/02/30/68/572023068.db2.gz PQOOWBJWEOZQMN-SECBINFHSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC(C)(C)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 69015534 572020649 /nfs/dbraw/zinc/02/06/49/572020649.db2.gz HHMWDUKDQZQNIC-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCOCCN(CCC[NH3+])C(C)C 35358877 572020749 /nfs/dbraw/zinc/02/07/49/572020749.db2.gz RTSASLBGPXURPH-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H]1CCCN1 300242898 572021023 /nfs/dbraw/zinc/02/10/23/572021023.db2.gz QIRHPJPSARNQON-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCN(CCC[NH3+])CCOCC 35358876 572021138 /nfs/dbraw/zinc/02/11/38/572021138.db2.gz RXBDMZWJTLCKLG-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO C[C@H]1CCN[C@H](C(C)(C)[NH3+])C1 687774655 572021336 /nfs/dbraw/zinc/02/13/36/572021336.db2.gz HEJFFZVFSPBULY-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1CCN[C@@H](C(C)(C)[NH3+])C1 687774652 572022260 /nfs/dbraw/zinc/02/22/60/572022260.db2.gz HEJFFZVFSPBULY-HTQZYQBOSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]1CCN[C@@H](C(C)(C)[NH3+])C1 687774653 572023000 /nfs/dbraw/zinc/02/30/00/572023000.db2.gz HEJFFZVFSPBULY-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO C[NH+](C)C(C)(C)[C@@H](N)CC1CC1 82400762 572023297 /nfs/dbraw/zinc/02/32/97/572023297.db2.gz PQOOWBJWEOZQMN-VIFPVBQESA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH2+]C[C@H]2CCCN2)C1 300244533 572023547 /nfs/dbraw/zinc/02/35/47/572023547.db2.gz XYNPIPJGWHPEBJ-IJLUTSLNSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCCN(CCC(N)=[NH2+])C1CC1 42490485 572023608 /nfs/dbraw/zinc/02/36/08/572023608.db2.gz MNJDMMVKFKQTGO-UHFFFAOYSA-N 1 3 183.299 1.577 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH2+]C[C@H]2CCCN2)C1 300244531 572024143 /nfs/dbraw/zinc/02/41/43/572024143.db2.gz XYNPIPJGWHPEBJ-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[N@@H+](CC1CC1)C[C@H](C)CN 35452190 572025829 /nfs/dbraw/zinc/02/58/29/572025829.db2.gz VNDCLXJAJRHGAS-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[N@H+](CC1CC1)C[C@H](C)CN 35452190 572025831 /nfs/dbraw/zinc/02/58/31/572025831.db2.gz VNDCLXJAJRHGAS-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[N@@H+](CC1CC1)C[C@@H](C)CN 35452187 572025948 /nfs/dbraw/zinc/02/59/48/572025948.db2.gz VNDCLXJAJRHGAS-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[N@H+](CC1CC1)C[C@@H](C)CN 35452187 572025952 /nfs/dbraw/zinc/02/59/52/572025952.db2.gz VNDCLXJAJRHGAS-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCCCCC[C@](C)(N)C[NH3+] 35676955 572027083 /nfs/dbraw/zinc/02/70/83/572027083.db2.gz TYDDNYFWVPPEOV-VIFPVBQESA-N 1 3 158.289 1.633 10 0 ADAEHO CC[C@@H](C)C[C@](N)(CC)C[NH3+] 35676994 572027099 /nfs/dbraw/zinc/02/70/99/572027099.db2.gz LGGMEIGTWGHYFB-RKDXNWHRSA-N 1 3 158.289 1.489 10 0 ADAEHO CC[C@H](C)C[C@@](N)(CC)C[NH3+] 35676993 572028036 /nfs/dbraw/zinc/02/80/36/572028036.db2.gz LGGMEIGTWGHYFB-IUCAKERBSA-N 1 3 158.289 1.489 10 0 ADAEHO CCCC1CCC([NH3+])(C2CNC2)CC1 687775736 572029945 /nfs/dbraw/zinc/02/99/45/572029945.db2.gz MDRKCRBEBWVWNS-UHFFFAOYSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1CCCC[C@]1([NH3+])C1CNC1 687775725 572029797 /nfs/dbraw/zinc/02/97/97/572029797.db2.gz LFMFSMYOGFDJCS-PSASIEDQSA-N 1 3 168.284 1.113 10 0 ADAEHO CCC1CCC([NH3+])(C2CNC2)CC1 687775711 572029875 /nfs/dbraw/zinc/02/98/75/572029875.db2.gz JPMGITYIESMAIE-UHFFFAOYSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1CCCC[C@@]1([NH3+])C1CNC1 687775726 572029998 /nfs/dbraw/zinc/02/99/98/572029998.db2.gz LFMFSMYOGFDJCS-SCZZXKLOSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H]1CCCC[C@@]1([NH3+])C1CNC1 687775728 572030081 /nfs/dbraw/zinc/03/00/81/572030081.db2.gz LFMFSMYOGFDJCS-WPRPVWTQSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H]1CCCC[C@]1([NH3+])C1CNC1 687775727 572030135 /nfs/dbraw/zinc/03/01/35/572030135.db2.gz LFMFSMYOGFDJCS-WCBMZHEXSA-N 1 3 168.284 1.113 10 0 ADAEHO CCCCCN(CCC(N)=[NH2+])C1CC1 42547809 572031359 /nfs/dbraw/zinc/03/13/59/572031359.db2.gz VVEDGZBFPPCADD-UHFFFAOYSA-N 1 3 197.326 1.967 10 0 ADAEHO CCN(CC)CC1(F)CC[NH2+]CC1 219686419 572031976 /nfs/dbraw/zinc/03/19/76/572031976.db2.gz GZCUMZYYHUKPLR-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO CC[N@H+](CC[C@@H](C)N)C1CCCC1 35765801 572032286 /nfs/dbraw/zinc/03/22/86/572032286.db2.gz PUUIGTHUQXUVAZ-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)N)C1CCCC1 35765801 572032288 /nfs/dbraw/zinc/03/22/88/572032288.db2.gz PUUIGTHUQXUVAZ-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)C1([NH3+])CCN(CC)CC1 687701129 572032895 /nfs/dbraw/zinc/03/28/95/572032895.db2.gz DALOVOILERSPFJ-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)N(CCC(N)=[NH2+])C1CC1 42548030 572033269 /nfs/dbraw/zinc/03/32/69/572033269.db2.gz QABONSNMYANVAM-MRVPVSSYSA-N 1 3 183.299 1.575 10 0 ADAEHO CSCCN1CC[C@](C)(C[NH3+])C1 235031195 572033398 /nfs/dbraw/zinc/03/33/98/572033398.db2.gz OLIVWPGPMWUODQ-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CSCC[N@@H+]1CC[C@](C)(CN)C1 235031195 572033401 /nfs/dbraw/zinc/03/34/01/572033401.db2.gz OLIVWPGPMWUODQ-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CSCC[N@H+]1CC[C@](C)(CN)C1 235031195 572033404 /nfs/dbraw/zinc/03/34/04/572033404.db2.gz OLIVWPGPMWUODQ-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CC[C@@H](C)C1([NH3+])CCN(CC)CC1 687701130 572034353 /nfs/dbraw/zinc/03/43/53/572034353.db2.gz DALOVOILERSPFJ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](C[C@H](C)CN)C1CCCC1 35765220 572034573 /nfs/dbraw/zinc/03/45/73/572034573.db2.gz DJJROTBCFWCRNV-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C[C@H](C)CN)C1CCCC1 35765220 572034575 /nfs/dbraw/zinc/03/45/75/572034575.db2.gz DJJROTBCFWCRNV-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](CC[C@H](C)N)C1CCCC1 35765802 572034934 /nfs/dbraw/zinc/03/49/34/572034934.db2.gz PUUIGTHUQXUVAZ-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCN(CCC(N)=[NH2+])C1CCCC1 35766298 572034784 /nfs/dbraw/zinc/03/47/84/572034784.db2.gz VGICAZSZGDANKV-UHFFFAOYSA-N 1 3 183.299 1.577 10 0 ADAEHO CC[N@@H+](CC[C@H](C)N)C1CCCC1 35765802 572034937 /nfs/dbraw/zinc/03/49/37/572034937.db2.gz PUUIGTHUQXUVAZ-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@@H+](C[C@@H](C)CN)C1CCCC1 35765218 572035720 /nfs/dbraw/zinc/03/57/20/572035720.db2.gz DJJROTBCFWCRNV-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](C[C@@H](C)CN)C1CCCC1 35765218 572035719 /nfs/dbraw/zinc/03/57/19/572035719.db2.gz DJJROTBCFWCRNV-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC1CCC(N2CC[C@@H]([NH3+])C2)CC1 42580706 572035820 /nfs/dbraw/zinc/03/58/20/572035820.db2.gz HTUAUSPTOILHRU-MOENNCHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CSC(C)(C)CN[C@@H](C)C[NH3+] 235034128 572037279 /nfs/dbraw/zinc/03/72/79/572037279.db2.gz ZANRQLCTTREHEF-ZETCQYMHSA-N 1 3 176.329 1.065 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CNCC1(C)CC1 235590658 572037415 /nfs/dbraw/zinc/03/74/15/572037415.db2.gz SYFWIIFVJPOLAV-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO CSC(C)(C)CN[C@H](C)C[NH3+] 235035648 572037435 /nfs/dbraw/zinc/03/74/35/572037435.db2.gz ZANRQLCTTREHEF-SSDOTTSWSA-N 1 3 176.329 1.065 10 0 ADAEHO CC[C@H]1CCC[N@H+](CC[C@@H](C)N)C1 36169505 572039367 /nfs/dbraw/zinc/03/93/67/572039367.db2.gz JBZYSFBSWPTAEL-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCC[N@@H+](CC[C@@H](C)N)C1 36169505 572039370 /nfs/dbraw/zinc/03/93/70/572039370.db2.gz JBZYSFBSWPTAEL-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCC[N@H+](C[C@@H](C)CN)C1 36169013 572040194 /nfs/dbraw/zinc/04/01/94/572040194.db2.gz AFYKSCUSDLLWNJ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H]1CCC[N@@H+](C[C@@H](C)CN)C1 36169013 572040195 /nfs/dbraw/zinc/04/01/95/572040195.db2.gz AFYKSCUSDLLWNJ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@@H](C)CC1 82490497 572040205 /nfs/dbraw/zinc/04/02/05/572040205.db2.gz WGBXWZOPWDABKY-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@@H](C)CC1 82490497 572040206 /nfs/dbraw/zinc/04/02/06/572040206.db2.gz WGBXWZOPWDABKY-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCCC[N@H+](C)[C@H](C)CC(C)C 42590205 572040372 /nfs/dbraw/zinc/04/03/72/572040372.db2.gz NMRARWKMICMJJI-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CNCCC[N@@H+](C)[C@H](C)CC(C)C 42590205 572040376 /nfs/dbraw/zinc/04/03/76/572040376.db2.gz NMRARWKMICMJJI-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO C[NH2+]CCCN(C)[C@H](C)CC(C)C 42590205 572040380 /nfs/dbraw/zinc/04/03/80/572040380.db2.gz NMRARWKMICMJJI-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@H](C)CC1 82490499 572040807 /nfs/dbraw/zinc/04/08/07/572040807.db2.gz WGBXWZOPWDABKY-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@H](C)CC1 82490499 572040809 /nfs/dbraw/zinc/04/08/09/572040809.db2.gz WGBXWZOPWDABKY-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H]1CCC[N@H+](CC[C@@H](C)N)C1 36169504 572041413 /nfs/dbraw/zinc/04/14/13/572041413.db2.gz JBZYSFBSWPTAEL-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](CC[C@@H](C)N)C1 36169504 572041414 /nfs/dbraw/zinc/04/14/14/572041414.db2.gz JBZYSFBSWPTAEL-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCC[NH2+][C@H]1CNC[C@H]1C[C@H]1C 235595241 572042047 /nfs/dbraw/zinc/04/20/47/572042047.db2.gz DSZGTKJCHSUHBJ-QCNOEVLYSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H](C)C[C@H]([NH3+])CNCCCF 400862161 572042192 /nfs/dbraw/zinc/04/21/92/572042192.db2.gz DCJNJEYFSGIRLY-UWVGGRQHSA-N 1 3 190.306 1.699 10 0 ADAEHO CC[C@@H](C)C[C@H]([NH3+])CNCCCF 400862164 572042294 /nfs/dbraw/zinc/04/22/94/572042294.db2.gz DCJNJEYFSGIRLY-ZJUUUORDSA-N 1 3 190.306 1.699 10 0 ADAEHO CC[C@H](C)C[C@@H]([NH3+])CNCCCF 400862163 572042419 /nfs/dbraw/zinc/04/24/19/572042419.db2.gz DCJNJEYFSGIRLY-VHSXEESVSA-N 1 3 190.306 1.699 10 0 ADAEHO C[C@H]1CCC[NH2+][C@H]1CNCC1(C)CC1 235594546 572042473 /nfs/dbraw/zinc/04/24/73/572042473.db2.gz IAOSEJQPUSQPMR-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCCC1([NH3+])CCN(CC)CC1 687702479 572042573 /nfs/dbraw/zinc/04/25/73/572042573.db2.gz VZCHWDCNGNPMFO-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CNC[C@@H](C)C[N@H+](C)CC1CCCC1 82493141 572042930 /nfs/dbraw/zinc/04/29/30/572042930.db2.gz PGMHPGCDEASTDE-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@H](C)C[N@@H+](C)CC1CCCC1 82493141 572042932 /nfs/dbraw/zinc/04/29/32/572042932.db2.gz PGMHPGCDEASTDE-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H]1CCC[NH2+][C@H]1CNCCC1CC1 235594703 572043275 /nfs/dbraw/zinc/04/32/75/572043275.db2.gz FAFYGRXMSUSXFV-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO CCN1CC[C@H](N(C)C(C)=[NH2+])C1 334138760 572043375 /nfs/dbraw/zinc/04/33/75/572043375.db2.gz HVHKNKPAMRAMQD-VIFPVBQESA-N 1 3 169.272 1.010 10 0 ADAEHO CCN1CC[C@@H](N(C)C(C)=[NH2+])C1 334138759 572044356 /nfs/dbraw/zinc/04/43/56/572044356.db2.gz HVHKNKPAMRAMQD-SECBINFHSA-N 1 3 169.272 1.010 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CNCC1(C)CC1 235603828 572046009 /nfs/dbraw/zinc/04/60/09/572046009.db2.gz NDLGQNUEBQKSJV-UWVGGRQHSA-N 1 3 182.311 1.232 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@H]1C[NH2+]C[C@@H]1C 82560441 572046423 /nfs/dbraw/zinc/04/64/23/572046423.db2.gz ATHLCJWIQYNZIY-SDDRHHMPSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)CC1CC1 82560491 572046474 /nfs/dbraw/zinc/04/64/74/572046474.db2.gz MDNOTYJLZASCLM-ONGXEEELSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CNCC1(C)CC1 235604853 572046541 /nfs/dbraw/zinc/04/65/41/572046541.db2.gz SYFWIIFVJPOLAV-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN(C)CC1CC1 82560488 572046630 /nfs/dbraw/zinc/04/66/30/572046630.db2.gz MDNOTYJLZASCLM-MWLCHTKSSA-N 1 3 182.311 1.184 10 0 ADAEHO CC[C@H](C)CN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560389 572046639 /nfs/dbraw/zinc/04/66/39/572046639.db2.gz WJUWSSQMBHNWGT-SRVKXCTJSA-N 1 3 198.354 1.820 10 0 ADAEHO CCCCCN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560386 572047149 /nfs/dbraw/zinc/04/71/49/572047149.db2.gz NSNBXBYTBJMWPZ-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560374 572046659 /nfs/dbraw/zinc/04/66/59/572046659.db2.gz XRDUHXBOVFBBAV-UWVGGRQHSA-N 1 3 170.300 1.184 10 0 ADAEHO CCCN(CCC)C[C@H]1C[NH2+]C[C@H]1C 82560283 572046755 /nfs/dbraw/zinc/04/67/55/572046755.db2.gz IRCRTDFMECQVDG-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CN(C)CCCN(C)C(=[NH2+])C1CC1 82544133 572047169 /nfs/dbraw/zinc/04/71/69/572047169.db2.gz PNIDYGYVRFWIGI-UHFFFAOYSA-N 1 3 183.299 1.257 10 0 ADAEHO CCC(CC)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560444 572046987 /nfs/dbraw/zinc/04/69/87/572046987.db2.gz UOQNDGFLCMPUQW-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)c1ccncc1 220060943 572047082 /nfs/dbraw/zinc/04/70/82/572047082.db2.gz YTQVNRQPMHDYAG-SECBINFHSA-N 1 3 179.267 1.255 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@@H]1C[NH2+]C[C@H]1C 82560442 572047065 /nfs/dbraw/zinc/04/70/65/572047065.db2.gz ATHLCJWIQYNZIY-WOPDTQHZSA-N 1 3 198.354 1.818 10 0 ADAEHO CCC(=[NH2+])N(C)CCCN(C)C 82544130 572047196 /nfs/dbraw/zinc/04/71/96/572047196.db2.gz DQJRQRABBRCQGR-UHFFFAOYSA-N 1 3 171.288 1.257 10 0 ADAEHO CCC(CC)N(C)C[C@H]1C[NH2+]C[C@@H]1C 82560445 572047250 /nfs/dbraw/zinc/04/72/50/572047250.db2.gz UOQNDGFLCMPUQW-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCCN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560288 572047304 /nfs/dbraw/zinc/04/73/04/572047304.db2.gz BTKNMJCJJAKNFA-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCCN(CCC)C[C@@H]1C[NH2+]C[C@@H]1C 82560280 572047331 /nfs/dbraw/zinc/04/73/31/572047331.db2.gz IRCRTDFMECQVDG-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H](C)C1CC1 82560438 572047389 /nfs/dbraw/zinc/04/73/89/572047389.db2.gz CPJCWWBNYBDBPQ-SCVCMEIPSA-N 1 3 196.338 1.572 10 0 ADAEHO CCCN(CC)C[C@H]1C[NH2+]C[C@@H]1C 82560369 572047426 /nfs/dbraw/zinc/04/74/26/572047426.db2.gz XSWXNDAYOPIEQU-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)C(=[NH2+])N(C)CCCN(C)C 82544131 572047452 /nfs/dbraw/zinc/04/74/52/572047452.db2.gz KRMVCGBFBGLCGR-UHFFFAOYSA-N 1 3 185.315 1.503 10 0 ADAEHO CS[C@@H]1CCC[C@H]1N[C@@H](C)C[NH3+] 235064620 572047532 /nfs/dbraw/zinc/04/75/32/572047532.db2.gz HDKAVKITHPSVFL-DJLDLDEBSA-N 1 3 188.340 1.207 10 0 ADAEHO CCCCN(CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560290 572047560 /nfs/dbraw/zinc/04/75/60/572047560.db2.gz LJBGABTWWHORQZ-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCN(CCC)C[C@H]1C[NH2+]C[C@@H]1C 82560281 572047603 /nfs/dbraw/zinc/04/76/03/572047603.db2.gz IRCRTDFMECQVDG-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560443 572047634 /nfs/dbraw/zinc/04/76/34/572047634.db2.gz ATHLCJWIQYNZIY-SRVKXCTJSA-N 1 3 198.354 1.818 10 0 ADAEHO CCCN(C)C[C@H]1C[NH2+]C[C@@H]1C 82560375 572047687 /nfs/dbraw/zinc/04/76/87/572047687.db2.gz XRDUHXBOVFBBAV-VHSXEESVSA-N 1 3 170.300 1.184 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@H]1C[NH2+]C[C@H]1C 82560440 572047735 /nfs/dbraw/zinc/04/77/35/572047735.db2.gz ATHLCJWIQYNZIY-GRYCIOLGSA-N 1 3 198.354 1.818 10 0 ADAEHO CCCCCN(C)C[C@H]1C[NH2+]C[C@@H]1C 82560387 572047785 /nfs/dbraw/zinc/04/77/85/572047785.db2.gz NSNBXBYTBJMWPZ-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CCN(C[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 82560354 572047822 /nfs/dbraw/zinc/04/78/22/572047822.db2.gz NDXGZJHPPZTOPV-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN(C)[C@@H](C)C1CC1 82560436 572047944 /nfs/dbraw/zinc/04/79/44/572047944.db2.gz CPJCWWBNYBDBPQ-JFGNBEQYSA-N 1 3 196.338 1.572 10 0 ADAEHO CCCN(CCC)C[C@@H]1C[NH2+]C[C@H]1C 82560282 572047954 /nfs/dbraw/zinc/04/79/54/572047954.db2.gz IRCRTDFMECQVDG-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)=CCN[C@@H](C)CC[NH+](C)C 235067701 572047983 /nfs/dbraw/zinc/04/79/83/572047983.db2.gz GDXKJQQHHBIHMV-NSHDSACASA-N 1 3 184.327 1.882 10 0 ADAEHO CCCCN(CC)C[C@H]1C[NH2+]C[C@@H]1C 82560291 572048004 /nfs/dbraw/zinc/04/80/04/572048004.db2.gz LJBGABTWWHORQZ-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)CN(C)C[C@H]1C[NH2+]C[C@H]1C 82560376 572048046 /nfs/dbraw/zinc/04/80/46/572048046.db2.gz UJVWGYDFCNNWHX-GHMZBOCLSA-N 1 3 184.327 1.430 10 0 ADAEHO CCCN(C[C@@H]1C[NH2+]C[C@@H]1C)C(C)C 82560370 572048062 /nfs/dbraw/zinc/04/80/62/572048062.db2.gz KPSMWJKFVAEBRX-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CN(C)C[C@@H]1C[NH2+]C[C@H]1C 82560378 572048077 /nfs/dbraw/zinc/04/80/77/572048077.db2.gz UJVWGYDFCNNWHX-MNOVXSKESA-N 1 3 184.327 1.430 10 0 ADAEHO CC(C)CN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560379 572048096 /nfs/dbraw/zinc/04/80/96/572048096.db2.gz UJVWGYDFCNNWHX-QWRGUYRKSA-N 1 3 184.327 1.430 10 0 ADAEHO CCN(C[C@@H]1C[NH2+]C[C@@H]1C)C(C)C 82560360 572048258 /nfs/dbraw/zinc/04/82/58/572048258.db2.gz YCXVEPRABIZMKG-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[C@@H](C)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560446 572048290 /nfs/dbraw/zinc/04/82/90/572048290.db2.gz FXOCHWYPCPNZCY-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CCCN1C[C@@H]1C[NH2+]C[C@@H]1C 82560485 572048397 /nfs/dbraw/zinc/04/83/97/572048397.db2.gz PZDQKOQHECDXSG-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO CCCCN(C)C[C@H]1C[NH2+]C[C@@H]1C 82560289 572048331 /nfs/dbraw/zinc/04/83/31/572048331.db2.gz BTKNMJCJJAKNFA-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[C@@H](C)N(CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560384 572048301 /nfs/dbraw/zinc/04/83/01/572048301.db2.gz CEISZUHGDAMUEB-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCN(C[C@H]1C[NH2+]C[C@@H]1C)C(C)C 82560371 572048672 /nfs/dbraw/zinc/04/86/72/572048672.db2.gz KPSMWJKFVAEBRX-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)CN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560388 572048728 /nfs/dbraw/zinc/04/87/28/572048728.db2.gz WJUWSSQMBHNWGT-WOPDTQHZSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@H]1CCCCN1C[C@@H]1C[NH2+]C[C@@H]1C 82560253 572048768 /nfs/dbraw/zinc/04/87/68/572048768.db2.gz XHNNQGOANZOZPJ-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560380 572048810 /nfs/dbraw/zinc/04/88/10/572048810.db2.gz KVIVCUNSXXRLEJ-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(C[C@H]1C[NH2+]C[C@@H]1C)C(C)C 82560361 572048835 /nfs/dbraw/zinc/04/88/35/572048835.db2.gz YCXVEPRABIZMKG-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN(C)CC1CC1 82560489 572048857 /nfs/dbraw/zinc/04/88/57/572048857.db2.gz MDNOTYJLZASCLM-GXSJLCMTSA-N 1 3 182.311 1.184 10 0 ADAEHO CCN(CC(C)C)C[C@@H]1C[NH2+]C[C@@H]1C 82560382 572048862 /nfs/dbraw/zinc/04/88/62/572048862.db2.gz XULCMPDWWBOTOL-RYUDHWBXSA-N 1 3 198.354 1.820 10 0 ADAEHO CC(C)CN(C)C[C@H]1C[NH2+]C[C@@H]1C 82560377 572048867 /nfs/dbraw/zinc/04/88/67/572048867.db2.gz UJVWGYDFCNNWHX-WDEREUQCSA-N 1 3 184.327 1.430 10 0 ADAEHO CN(C)CCCN(C)C(=[NH2+])C(C)(C)C 82544134 572048876 /nfs/dbraw/zinc/04/88/76/572048876.db2.gz AQITVXQRATXVKH-UHFFFAOYSA-N 1 3 199.342 1.893 10 0 ADAEHO CCN(C[C@H]1C[NH2+]C[C@@H]1C)C1CC1 82560355 572048881 /nfs/dbraw/zinc/04/88/81/572048881.db2.gz NDXGZJHPPZTOPV-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CCN(CC(C)C)C[C@H]1C[NH2+]C[C@@H]1C 82560383 572048904 /nfs/dbraw/zinc/04/89/04/572048904.db2.gz XULCMPDWWBOTOL-NWDGAFQWSA-N 1 3 198.354 1.820 10 0 ADAEHO CC[C@H](C)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560381 572048938 /nfs/dbraw/zinc/04/89/38/572048938.db2.gz KVIVCUNSXXRLEJ-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO CCCN(C[C@H]1C[NH2+]C[C@@H]1C)C1CC1 82560373 572048997 /nfs/dbraw/zinc/04/89/97/572048997.db2.gz AOQUFHWWOSNJLP-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN(C)CC(C)(C)C 82560790 572049185 /nfs/dbraw/zinc/04/91/85/572049185.db2.gz OEKRVBVVVPWUKB-GHMZBOCLSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN(C)CC1CCC1 82560865 572049322 /nfs/dbraw/zinc/04/93/22/572049322.db2.gz IJMGCLIZXHDXHW-CMPLNLGQSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN(C)CC(C)(C)C 82560791 572049342 /nfs/dbraw/zinc/04/93/42/572049342.db2.gz OEKRVBVVVPWUKB-WDEREUQCSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC1(C)C 82560795 572049691 /nfs/dbraw/zinc/04/96/91/572049691.db2.gz IIBWWXQALKNWOY-IVZWLZJFSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)CCN(C)C[C@H]1C[NH2+]C[C@@H]1C 82560607 572049729 /nfs/dbraw/zinc/04/97/29/572049729.db2.gz BNORCFWBUQAJKW-NWDGAFQWSA-N 1 3 198.354 1.820 10 0 ADAEHO CC[C@H](C[NH3+])N1C[C@@H]2CCCCC[C@H]21 687888118 572049801 /nfs/dbraw/zinc/04/98/01/572049801.db2.gz APODPQBRBQSLRS-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CC1CCC1 82560866 572049840 /nfs/dbraw/zinc/04/98/40/572049840.db2.gz IJMGCLIZXHDXHW-PWSUYJOCSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)CCN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560609 572049992 /nfs/dbraw/zinc/04/99/92/572049992.db2.gz BNORCFWBUQAJKW-RYUDHWBXSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@@H]2C)C1 82560577 572049958 /nfs/dbraw/zinc/04/99/58/572049958.db2.gz XHLQFFYAZLVRJW-DCAQKATOSA-N 1 3 182.311 1.184 10 0 ADAEHO CC[C@H](C[NH3+])N1C[C@H]2CCCCC[C@H]21 687888115 572050063 /nfs/dbraw/zinc/05/00/63/572050063.db2.gz APODPQBRBQSLRS-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)CCN(C)C[C@@H]1C[NH2+]C[C@H]1C 82560608 572050169 /nfs/dbraw/zinc/05/01/69/572050169.db2.gz BNORCFWBUQAJKW-NEPJUHHUSA-N 1 3 198.354 1.820 10 0 ADAEHO CC[C@H](C[NH3+])N1C[C@H]2CCCCC[C@@H]21 687888122 572050230 /nfs/dbraw/zinc/05/02/30/572050230.db2.gz APODPQBRBQSLRS-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)CCN(C)C[C@H]1C[NH2+]C[C@H]1C 82560606 572050400 /nfs/dbraw/zinc/05/04/00/572050400.db2.gz BNORCFWBUQAJKW-VXGBXAGGSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)CC(C)(C)C 82560793 572050407 /nfs/dbraw/zinc/05/04/07/572050407.db2.gz OEKRVBVVVPWUKB-QWRGUYRKSA-N 1 3 198.354 1.820 10 0 ADAEHO C/C=C\CN1CC[C@H]([NH3+])[C@H](CC)C1 388309892 572050459 /nfs/dbraw/zinc/05/04/59/572050459.db2.gz OOKPXCPODMRLHN-ZSZRGSJWSA-N 1 3 182.311 1.622 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN(C)CC1CCC1 82560864 572050897 /nfs/dbraw/zinc/05/08/97/572050897.db2.gz IJMGCLIZXHDXHW-ZYHUDNBSSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C[NH3+])N1C[C@@H]2CCCCC[C@@H]21 687888120 572050938 /nfs/dbraw/zinc/05/09/38/572050938.db2.gz APODPQBRBQSLRS-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)CC1CCC1 82560867 572051076 /nfs/dbraw/zinc/05/10/76/572051076.db2.gz IJMGCLIZXHDXHW-JQWIXIFHSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CC(C)(C)C 82560792 572051250 /nfs/dbraw/zinc/05/12/50/572051250.db2.gz OEKRVBVVVPWUKB-MNOVXSKESA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@@H](CC[NH+](C)C)Nc1ncc[nH]1 235080012 572051958 /nfs/dbraw/zinc/05/19/58/572051958.db2.gz DDOJHPNOMAWPKZ-QMMMGPOBSA-N 1 3 182.271 1.162 10 0 ADAEHO [NH3+]CCCN1CC2CCC(CC2)C1 34077638 572052863 /nfs/dbraw/zinc/05/28/63/572052863.db2.gz URQQMKMRBDWFAW-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO CCOCC[N@H+](CC)[C@H](C)[C@@H](C)N 82536980 572052923 /nfs/dbraw/zinc/05/29/23/572052923.db2.gz JEEHCNXFWWWMCZ-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CCOCC[N@@H+](CC)[C@H](C)[C@@H](C)N 82536980 572052927 /nfs/dbraw/zinc/05/29/27/572052927.db2.gz JEEHCNXFWWWMCZ-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO C/C=C\CN1CC[C@H]([NH3+])[C@@H](CC)C1 388309891 572053221 /nfs/dbraw/zinc/05/32/21/572053221.db2.gz OOKPXCPODMRLHN-NBLPHYOQSA-N 1 3 182.311 1.622 10 0 ADAEHO Cc1c[nH]c(N[C@@H](C)CC[NH+](C)C)n1 235078154 572053263 /nfs/dbraw/zinc/05/32/63/572053263.db2.gz KSPSFWIZGZRLSU-QMMMGPOBSA-N 1 3 196.298 1.470 10 0 ADAEHO CCOCC[N@H+](CC)[C@@H](C)[C@@H](C)N 82536978 572053497 /nfs/dbraw/zinc/05/34/97/572053497.db2.gz JEEHCNXFWWWMCZ-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CCOCC[N@@H+](CC)[C@@H](C)[C@@H](C)N 82536978 572053500 /nfs/dbraw/zinc/05/35/00/572053500.db2.gz JEEHCNXFWWWMCZ-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@@H](CCN)[NH2+]C[C@H]1CC1(C)C 235086627 572054027 /nfs/dbraw/zinc/05/40/27/572054027.db2.gz LTUUZXNQJNFWDO-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CS[C@H]1CC[C@@H]([NH2+]CCCN)C1 235090581 572054064 /nfs/dbraw/zinc/05/40/64/572054064.db2.gz AXLCRAORVPCCNU-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO CCn1ccnc1NC[C@@H]([NH3+])C1CC1 82593901 572055006 /nfs/dbraw/zinc/05/50/06/572055006.db2.gz DJLXNDFWFMHGOE-SECBINFHSA-N 1 3 194.282 1.052 10 0 ADAEHO C[C@@H](CCN)[NH2+]C[C@@H]1CC1(C)C 235086444 572055053 /nfs/dbraw/zinc/05/50/53/572055053.db2.gz LTUUZXNQJNFWDO-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO [NH3+]CCN(c1ccncc1)C1CC1 82592801 572055960 /nfs/dbraw/zinc/05/59/60/572055960.db2.gz RYTGLZULGLNIPW-UHFFFAOYSA-N 1 3 177.251 1.009 10 0 ADAEHO CC(C)C[C@H](C[NH3+])Nc1nccn1C 82592965 572056039 /nfs/dbraw/zinc/05/60/39/572056039.db2.gz DQHPPYAXYPAYBO-SECBINFHSA-N 1 3 196.298 1.205 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])Nc1nccn1C 82592962 572056069 /nfs/dbraw/zinc/05/60/69/572056069.db2.gz DQHPPYAXYPAYBO-VIFPVBQESA-N 1 3 196.298 1.205 10 0 ADAEHO CCCN(CC[NH3+])c1ccncc1 82592096 572056402 /nfs/dbraw/zinc/05/64/02/572056402.db2.gz UUIKWCZMKZTWIB-UHFFFAOYSA-N 1 3 179.267 1.257 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])Nc1ccncc1 82593068 572056721 /nfs/dbraw/zinc/05/67/21/572056721.db2.gz LAPFJADDQWOOQH-NSHDSACASA-N 1 3 193.294 1.867 10 0 ADAEHO [NH3+]C1CN(c2ccnc3ccccc23)C1 82593193 572057098 /nfs/dbraw/zinc/05/70/98/572057098.db2.gz GFSQVTXVCGTERO-UHFFFAOYSA-N 1 3 199.257 1.382 10 0 ADAEHO CC(C)C[C@H](C[NH3+])Nc1ccncc1 82593069 572057229 /nfs/dbraw/zinc/05/72/29/572057229.db2.gz LAPFJADDQWOOQH-LLVKDONJSA-N 1 3 193.294 1.867 10 0 ADAEHO CCn1ccnc1NC[C@H]([NH3+])C1CC1 82593899 572057236 /nfs/dbraw/zinc/05/72/36/572057236.db2.gz DJLXNDFWFMHGOE-VIFPVBQESA-N 1 3 194.282 1.052 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)C(C)C 36677454 572057460 /nfs/dbraw/zinc/05/74/60/572057460.db2.gz VDNUUUDYGMITBN-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)C(C)C 36677454 572057465 /nfs/dbraw/zinc/05/74/65/572057465.db2.gz VDNUUUDYGMITBN-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](CCN)[NH+]1CCC(C)CC1 36677437 572057527 /nfs/dbraw/zinc/05/75/27/572057527.db2.gz GWNDXVLVGYRZOK-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CCN)[NH+]1CCCCC1 36677459 572057631 /nfs/dbraw/zinc/05/76/31/572057631.db2.gz MWEAUORWECRAKR-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCCN(C)[C@@H](CC)CC(N)=[NH2+] 36678131 572057740 /nfs/dbraw/zinc/05/77/40/572057740.db2.gz APAHFUKXFKGBJR-VIFPVBQESA-N 1 3 185.315 1.823 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(CC)CC 36677923 572057759 /nfs/dbraw/zinc/05/77/59/572057759.db2.gz YTKVPRRYHCMARR-MRVPVSSYSA-N 1 3 171.288 1.433 10 0 ADAEHO CCCC[N@H+](C)[C@H](CC)CCN 36677520 572057797 /nfs/dbraw/zinc/05/77/97/572057797.db2.gz YCAVBXBXKSUJFA-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](C)[C@H](CC)CCN 36677520 572057799 /nfs/dbraw/zinc/05/77/99/572057799.db2.gz YCAVBXBXKSUJFA-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCCN(C)C[C@@H](C)C(N)=[NH2+] 36678138 572058195 /nfs/dbraw/zinc/05/81/95/572058195.db2.gz INCBKEXMLYPHII-MRVPVSSYSA-N 1 3 171.288 1.290 10 0 ADAEHO CC[C@@H](CCN)[NH+](CC)CC 36677440 572058812 /nfs/dbraw/zinc/05/88/12/572058812.db2.gz BKDQOBHYIYPEGY-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)(C)C[C@]1([NH3+])CCN2CCC[C@@H]21 713208152 572059001 /nfs/dbraw/zinc/05/90/01/572059001.db2.gz RXFPFXHYIDUUOI-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CCCCCC1 36677450 572059249 /nfs/dbraw/zinc/05/92/49/572059249.db2.gz RPGBKBXGWTZKQE-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CC[C@H](CCN)[NH+]1CCCCCC1 36677451 572059548 /nfs/dbraw/zinc/05/95/48/572059548.db2.gz RPGBKBXGWTZKQE-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CC(C)(C)C[C@@]1([NH3+])CCN2CCC[C@@H]21 713208149 572059423 /nfs/dbraw/zinc/05/94/23/572059423.db2.gz RXFPFXHYIDUUOI-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCN(CCC)C[C@H](C)C(N)=[NH2+] 36678034 572059426 /nfs/dbraw/zinc/05/94/26/572059426.db2.gz OWPZFCBJZYIDQK-VIFPVBQESA-N 1 3 185.315 1.680 10 0 ADAEHO CC[C@H](CCN)[NH+](CC)CC 36677441 572059595 /nfs/dbraw/zinc/05/95/95/572059595.db2.gz BKDQOBHYIYPEGY-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CN(CCC(N)=[NH2+])C1CCCCCC1 36328645 572059829 /nfs/dbraw/zinc/05/98/29/572059829.db2.gz LZOAWXCNDPGEHD-UHFFFAOYSA-N 1 3 197.326 1.967 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@H](C)C1 36677448 572059921 /nfs/dbraw/zinc/05/99/21/572059921.db2.gz HUIOVIGTALHARD-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CCC[C@H](C)C1 36677448 572059923 /nfs/dbraw/zinc/05/99/23/572059923.db2.gz HUIOVIGTALHARD-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)N(CCC[NH3+])C1CC1 36732138 572061754 /nfs/dbraw/zinc/06/17/54/572061754.db2.gz DXSBGQPJMCERFT-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CN(C)C1CCCCC1)C(N)=[NH2+] 36678252 572060071 /nfs/dbraw/zinc/06/00/71/572060071.db2.gz JYLQUIZLJRXTMZ-VIFPVBQESA-N 1 3 197.326 1.823 10 0 ADAEHO CCCC[N@H+](CCCN)C(C)C 36731976 572063309 /nfs/dbraw/zinc/06/33/09/572063309.db2.gz AUXUSAQCEZDYNB-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCCN(CC)C[C@@H](C)C(N)=[NH2+] 36678208 572060319 /nfs/dbraw/zinc/06/03/19/572060319.db2.gz SLZJJIJRDQTQCN-SECBINFHSA-N 1 3 185.315 1.680 10 0 ADAEHO C[C@H](CN(C)C1CCCCC1)C(N)=[NH2+] 36678253 572060359 /nfs/dbraw/zinc/06/03/59/572060359.db2.gz JYLQUIZLJRXTMZ-SECBINFHSA-N 1 3 197.326 1.823 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)C(C)C 36677455 572060501 /nfs/dbraw/zinc/06/05/01/572060501.db2.gz VDNUUUDYGMITBN-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)C(C)C 36677455 572060504 /nfs/dbraw/zinc/06/05/04/572060504.db2.gz VDNUUUDYGMITBN-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CCCC[N@H+](C)[C@@H](CC)CCN 36677519 572060685 /nfs/dbraw/zinc/06/06/85/572060685.db2.gz YCAVBXBXKSUJFA-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](C)[C@@H](CC)CCN 36677519 572060688 /nfs/dbraw/zinc/06/06/88/572060688.db2.gz YCAVBXBXKSUJFA-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CC[C@H]([NH3+])CNc1nccn1CC 82579382 572060849 /nfs/dbraw/zinc/06/08/49/572060849.db2.gz JQVXCJHFGSXDCV-QMMMGPOBSA-N 1 3 182.271 1.052 10 0 ADAEHO CCC[N@H+](CCCN)[C@@H](C)CC 36731952 572060965 /nfs/dbraw/zinc/06/09/65/572060965.db2.gz XYRNYZQDCGOAPE-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](CCCN)[C@@H](C)CC 36731952 572060968 /nfs/dbraw/zinc/06/09/68/572060968.db2.gz XYRNYZQDCGOAPE-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO C[C@@H](C[NH3+])CN[C@@H](C)CC(F)(F)F 235098111 572061029 /nfs/dbraw/zinc/06/10/29/572061029.db2.gz UGXQQDMJJLHNFO-BQBZGAKWSA-N 1 3 198.232 1.512 10 0 ADAEHO CC[C@H](C)[N@H+](CCCN)C(C)C 36732045 572061203 /nfs/dbraw/zinc/06/12/03/572061203.db2.gz FEDDJHRRWOMXHR-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](CCCN)C(C)C 36732045 572061205 /nfs/dbraw/zinc/06/12/05/572061205.db2.gz FEDDJHRRWOMXHR-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H]([NH3+])CNc1nccn1CC 82579383 572061239 /nfs/dbraw/zinc/06/12/39/572061239.db2.gz JQVXCJHFGSXDCV-MRVPVSSYSA-N 1 3 182.271 1.052 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1C=CCC1 711658378 572061357 /nfs/dbraw/zinc/06/13/57/572061357.db2.gz RYUNXOWPKDKTHL-UTUOFQBUSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1C=CCC1 711658378 572061360 /nfs/dbraw/zinc/06/13/60/572061360.db2.gz RYUNXOWPKDKTHL-UTUOFQBUSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1C=CCC1 711658378 572061363 /nfs/dbraw/zinc/06/13/63/572061363.db2.gz RYUNXOWPKDKTHL-UTUOFQBUSA-N 1 3 194.322 1.764 10 0 ADAEHO CC[C@@H](C)[N@H+](CCCN)C(C)C 36732044 572061461 /nfs/dbraw/zinc/06/14/61/572061461.db2.gz FEDDJHRRWOMXHR-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](CCCN)C(C)C 36732044 572061464 /nfs/dbraw/zinc/06/14/64/572061464.db2.gz FEDDJHRRWOMXHR-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1C=CCC1 711658374 572061548 /nfs/dbraw/zinc/06/15/48/572061548.db2.gz RYUNXOWPKDKTHL-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1C=CCC1 711658374 572061550 /nfs/dbraw/zinc/06/15/50/572061550.db2.gz RYUNXOWPKDKTHL-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1C=CCC1 711658374 572061552 /nfs/dbraw/zinc/06/15/52/572061552.db2.gz RYUNXOWPKDKTHL-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO CCCCC[N@H+](CC)CCCN 36731785 572061616 /nfs/dbraw/zinc/06/16/16/572061616.db2.gz DSPCKEGLSRCNFO-UHFFFAOYSA-N 1 3 172.316 1.847 10 0 ADAEHO CCCCC[N@@H+](CC)CCCN 36731785 572061619 /nfs/dbraw/zinc/06/16/19/572061619.db2.gz DSPCKEGLSRCNFO-UHFFFAOYSA-N 1 3 172.316 1.847 10 0 ADAEHO CCCCCN(CC)CCC[NH3+] 36731785 572061621 /nfs/dbraw/zinc/06/16/21/572061621.db2.gz DSPCKEGLSRCNFO-UHFFFAOYSA-N 1 3 172.316 1.847 10 0 ADAEHO CC[C@@H](C)[N@H+](CCCN)C1CC1 36732138 572061748 /nfs/dbraw/zinc/06/17/48/572061748.db2.gz DXSBGQPJMCERFT-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](C)[N@@H+](CCCN)C1CC1 36732138 572061751 /nfs/dbraw/zinc/06/17/51/572061751.db2.gz DXSBGQPJMCERFT-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CN)[NH2+][C@H](C)c1ccncc1 235097011 572062180 /nfs/dbraw/zinc/06/21/80/572062180.db2.gz MLUQVYYRDDZZSJ-DTWKUNHWSA-N 1 3 179.267 1.079 10 0 ADAEHO CCN(CCC[NH3+])c1ccncc1 36731729 572062260 /nfs/dbraw/zinc/06/22/60/572062260.db2.gz CIZGSPPHWMLGCP-UHFFFAOYSA-N 1 3 179.267 1.257 10 0 ADAEHO C[C@@H](C[NH3+])CN[C@H](C)CC(F)(F)F 235098322 572062309 /nfs/dbraw/zinc/06/23/09/572062309.db2.gz UGXQQDMJJLHNFO-NKWVEPMBSA-N 1 3 198.232 1.512 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@H]1C=CCC1 711658379 572062958 /nfs/dbraw/zinc/06/29/58/572062958.db2.gz RYUNXOWPKDKTHL-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@H]1C=CCC1 711658379 572062960 /nfs/dbraw/zinc/06/29/60/572062960.db2.gz RYUNXOWPKDKTHL-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1C=CCC1 711658379 572062963 /nfs/dbraw/zinc/06/29/63/572062963.db2.gz RYUNXOWPKDKTHL-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO CCC[N@H+](CCCN)[C@H](C)CC 36731953 572062977 /nfs/dbraw/zinc/06/29/77/572062977.db2.gz XYRNYZQDCGOAPE-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](CCCN)[C@H](C)CC 36731953 572062980 /nfs/dbraw/zinc/06/29/80/572062980.db2.gz XYRNYZQDCGOAPE-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC(CC)N(C)C[C@@H](C)C(N)=[NH2+] 36789190 572063036 /nfs/dbraw/zinc/06/30/36/572063036.db2.gz FPBYCBJUCWLRIS-MRVPVSSYSA-N 1 3 185.315 1.679 10 0 ADAEHO CCCC[N@H+](CCC)CCCN 36731884 572063098 /nfs/dbraw/zinc/06/30/98/572063098.db2.gz SCVPEQUZVYYFNC-UHFFFAOYSA-N 1 3 172.316 1.847 10 0 ADAEHO CCCC[N@@H+](CCC)CCCN 36731884 572063100 /nfs/dbraw/zinc/06/31/00/572063100.db2.gz SCVPEQUZVYYFNC-UHFFFAOYSA-N 1 3 172.316 1.847 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1C=CCC1 711658373 572063164 /nfs/dbraw/zinc/06/31/64/572063164.db2.gz RYUNXOWPKDKTHL-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1C=CCC1 711658373 572063167 /nfs/dbraw/zinc/06/31/67/572063167.db2.gz RYUNXOWPKDKTHL-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1C=CCC1 711658373 572063169 /nfs/dbraw/zinc/06/31/69/572063169.db2.gz RYUNXOWPKDKTHL-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO CC[C@H](C)[N@H+](CCCN)C1CC1 36732139 572063182 /nfs/dbraw/zinc/06/31/82/572063182.db2.gz DXSBGQPJMCERFT-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@@H+](CCCN)C1CC1 36732139 572063187 /nfs/dbraw/zinc/06/31/87/572063187.db2.gz DXSBGQPJMCERFT-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)N(CCC[NH3+])C1CC1 36732139 572063190 /nfs/dbraw/zinc/06/31/90/572063190.db2.gz DXSBGQPJMCERFT-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[N@@H+](CCCN)C(C)C 36731976 572063313 /nfs/dbraw/zinc/06/33/13/572063313.db2.gz AUXUSAQCEZDYNB-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO [NH3+]CCCN(c1ccncc1)C1CC1 36731753 572063420 /nfs/dbraw/zinc/06/34/20/572063420.db2.gz RVLIBRCARNWETA-UHFFFAOYSA-N 1 3 191.278 1.399 10 0 ADAEHO CCCN(CCC[NH3+])c1ccncc1 36731738 572063470 /nfs/dbraw/zinc/06/34/70/572063470.db2.gz HJYYWAIUNIFFSW-UHFFFAOYSA-N 1 3 193.294 1.647 10 0 ADAEHO CC(C)N(CCC[NH3+])c1ccncc1 36731745 572063515 /nfs/dbraw/zinc/06/35/15/572063515.db2.gz VSHZXNWMGMLTAL-UHFFFAOYSA-N 1 3 193.294 1.645 10 0 ADAEHO CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)CN 36786673 572064013 /nfs/dbraw/zinc/06/40/13/572064013.db2.gz UKZMSRZTVZZWPW-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+](C)C[C@@H](C)CN 36786673 572064016 /nfs/dbraw/zinc/06/40/16/572064016.db2.gz UKZMSRZTVZZWPW-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO NCCC[N@H+](CC1CC1)C1CCCC1 36765323 572064076 /nfs/dbraw/zinc/06/40/76/572064076.db2.gz LXVMBPLTVZQWPE-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO NCCC[N@@H+](CC1CC1)C1CCCC1 36765323 572064077 /nfs/dbraw/zinc/06/40/77/572064077.db2.gz LXVMBPLTVZQWPE-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H](C1CC1)N(C)C[C@@H](C)C(N)=[NH2+] 36785547 572064332 /nfs/dbraw/zinc/06/43/32/572064332.db2.gz UPHUOXSETUAOBJ-SFYZADRCSA-N 1 3 183.299 1.289 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)CC[C@@H](C)N 36787252 572064648 /nfs/dbraw/zinc/06/46/48/572064648.db2.gz DBHKXBNMDQAPKC-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)CC[C@@H](C)N 36787252 572064652 /nfs/dbraw/zinc/06/46/52/572064652.db2.gz DBHKXBNMDQAPKC-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CCC(CC)[N@H+](C)CC[C@H](C)N 36789037 572065670 /nfs/dbraw/zinc/06/56/70/572065670.db2.gz XMNIAVPOZGJDEE-VIFPVBQESA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(CC)[N@@H+](C)CC[C@H](C)N 36789037 572065671 /nfs/dbraw/zinc/06/56/71/572065671.db2.gz XMNIAVPOZGJDEE-VIFPVBQESA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@H](C1CC1)N(C)CCC(N)=[NH2+] 36785539 572065227 /nfs/dbraw/zinc/06/52/27/572065227.db2.gz AOHPEBCMAAHXBO-SSDOTTSWSA-N 1 3 169.272 1.043 10 0 ADAEHO C[C@@H](CN)C[NH2+]C[C@H]1CC1(C)C 235097726 572065351 /nfs/dbraw/zinc/06/53/51/572065351.db2.gz SOKNNLYTMPNBIK-DTWKUNHWSA-N 1 3 170.300 1.217 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@@H](C)C1CC1 36783195 572065516 /nfs/dbraw/zinc/06/55/16/572065516.db2.gz KVQQOOONPCBDQD-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 36783195 572065520 /nfs/dbraw/zinc/06/55/20/572065520.db2.gz KVQQOOONPCBDQD-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC(CC)[N@H+](C)C[C@H](C)CN 36788584 572065613 /nfs/dbraw/zinc/06/56/13/572065613.db2.gz RPFHUVPDEKXTAN-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC(CC)[N@@H+](C)C[C@H](C)CN 36788584 572065617 /nfs/dbraw/zinc/06/56/17/572065617.db2.gz RPFHUVPDEKXTAN-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC(CC)[N@H+](C)C[C@@H](C)CN 36788583 572065657 /nfs/dbraw/zinc/06/56/57/572065657.db2.gz RPFHUVPDEKXTAN-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CCC(CC)[N@@H+](C)C[C@@H](C)CN 36788583 572065658 /nfs/dbraw/zinc/06/56/58/572065658.db2.gz RPFHUVPDEKXTAN-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)CCCNC1CC1 82648403 572065714 /nfs/dbraw/zinc/06/57/14/572065714.db2.gz CEUYFYAEDFZLIM-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)CCCNC1CC1 82648403 572065716 /nfs/dbraw/zinc/06/57/16/572065716.db2.gz CEUYFYAEDFZLIM-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)CCC[NH2+]C1CC1 82648403 572065718 /nfs/dbraw/zinc/06/57/18/572065718.db2.gz CEUYFYAEDFZLIM-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(C)C[C@@H]1C[C@@H]1C 82648758 572065743 /nfs/dbraw/zinc/06/57/43/572065743.db2.gz QXIKCWPVZVHOCK-LPEHRKFASA-N 1 3 197.326 1.679 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)C[C@@H]1CC[NH2+]C1 82648670 572065810 /nfs/dbraw/zinc/06/58/10/572065810.db2.gz UAPCXWOEZYLSCN-HBNTYKKESA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)[NH2+]CCCN(C)C[C@H]1C[C@H]1C 82648427 572065858 /nfs/dbraw/zinc/06/58/58/572065858.db2.gz CYDJFFCPAMWREU-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(C)C[C@@H]1C[C@@H]1C 82648335 572065911 /nfs/dbraw/zinc/06/59/11/572065911.db2.gz ATBRGYLBVUWHIU-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)C[C@@H](C)C(N)=[NH2+] 82648750 572065928 /nfs/dbraw/zinc/06/59/28/572065928.db2.gz VFZZBQBTTCJQAO-DJLDLDEBSA-N 1 3 183.299 1.146 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)C[C@H](C)CN 36783196 572066772 /nfs/dbraw/zinc/06/67/72/572066772.db2.gz KVQQOOONPCBDQD-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)[C@@H](C)C1CC1 36783198 572066028 /nfs/dbraw/zinc/06/60/28/572066028.db2.gz XAYCUNMPNSWENR-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)[C@@H](C)C1CC1 36783198 572066030 /nfs/dbraw/zinc/06/60/30/572066030.db2.gz XAYCUNMPNSWENR-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC1(C2CC2)CC1 235097377 572066103 /nfs/dbraw/zinc/06/61/03/572066103.db2.gz DTSPSOVYUJOCNI-VIFPVBQESA-N 1 3 182.311 1.361 10 0 ADAEHO C[NH2+][C@H](C)[C@H]1CCCN(CC2CC2)C1 82646523 572066116 /nfs/dbraw/zinc/06/61/16/572066116.db2.gz GRJJOUWXUBYNPQ-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H](C)[C@H]1CCC[N@H+](CC2CC2)C1 82646523 572066120 /nfs/dbraw/zinc/06/61/20/572066120.db2.gz GRJJOUWXUBYNPQ-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)[C@@H](C)C1CC1 36783197 572066121 /nfs/dbraw/zinc/06/61/21/572066121.db2.gz XAYCUNMPNSWENR-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)[C@@H](C)C1CC1 36783197 572066124 /nfs/dbraw/zinc/06/61/24/572066124.db2.gz XAYCUNMPNSWENR-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CN[C@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 82646523 572066125 /nfs/dbraw/zinc/06/61/25/572066125.db2.gz GRJJOUWXUBYNPQ-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]([NH3+])CCN(C)[C@@H](C)C1CC1 36785260 572066331 /nfs/dbraw/zinc/06/63/31/572066331.db2.gz JGYWLZGEULZNDN-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@H](C)[N@H+](C)CC[C@@H](C)N 36787251 572066170 /nfs/dbraw/zinc/06/61/70/572066170.db2.gz DBHKXBNMDQAPKC-NXEZZACHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)C[C@@H]1C[C@@H]1C 82648757 572066171 /nfs/dbraw/zinc/06/61/71/572066171.db2.gz QXIKCWPVZVHOCK-GUBZILKMSA-N 1 3 197.326 1.679 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+](C)CC[C@@H](C)N 36787251 572066175 /nfs/dbraw/zinc/06/61/75/572066175.db2.gz DBHKXBNMDQAPKC-NXEZZACHSA-N 1 3 172.316 1.700 10 0 ADAEHO C[NH2+][C@@H](C)[C@H]1CCCN(CC2CC2)C1 82646522 572066209 /nfs/dbraw/zinc/06/62/09/572066209.db2.gz GRJJOUWXUBYNPQ-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)[C@H]1CCC[N@H+](CC2CC2)C1 82646522 572066213 /nfs/dbraw/zinc/06/62/13/572066213.db2.gz GRJJOUWXUBYNPQ-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 82646522 572066216 /nfs/dbraw/zinc/06/62/16/572066216.db2.gz GRJJOUWXUBYNPQ-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)C[C@@H](C)CN 36786674 572066218 /nfs/dbraw/zinc/06/62/18/572066218.db2.gz UKZMSRZTVZZWPW-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)C[C@@H](C)CN 36786674 572066220 /nfs/dbraw/zinc/06/62/20/572066220.db2.gz UKZMSRZTVZZWPW-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)CCCNC1CC1 82648404 572066228 /nfs/dbraw/zinc/06/62/28/572066228.db2.gz CEUYFYAEDFZLIM-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)CCCNC1CC1 82648404 572066232 /nfs/dbraw/zinc/06/62/32/572066232.db2.gz CEUYFYAEDFZLIM-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)CCC[NH2+]C1CC1 82648404 572066242 /nfs/dbraw/zinc/06/62/42/572066242.db2.gz CEUYFYAEDFZLIM-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 36783154 572066295 /nfs/dbraw/zinc/06/62/95/572066295.db2.gz DKLLZACFYUSLBG-YUSALJHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)C[C@@H]1CC[NH2+]C1 82648669 572066300 /nfs/dbraw/zinc/06/63/00/572066300.db2.gz UAPCXWOEZYLSCN-GMTAPVOTSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@@H]1CCC[C@@H]1CN 36783154 572066293 /nfs/dbraw/zinc/06/62/93/572066293.db2.gz DKLLZACFYUSLBG-YUSALJHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)CC[N@H+](C)[C@@H](C)C1CC1 36785260 572066325 /nfs/dbraw/zinc/06/63/25/572066325.db2.gz JGYWLZGEULZNDN-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 36785260 572066328 /nfs/dbraw/zinc/06/63/28/572066328.db2.gz JGYWLZGEULZNDN-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C[C@@H]1C[C@H]1C 82648513 572067169 /nfs/dbraw/zinc/06/71/69/572067169.db2.gz ISSUISZPVOZJRJ-MXWKQRLJSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H](CN)C[NH2+]C[C@@H]1CC1(C)C 235097596 572066470 /nfs/dbraw/zinc/06/64/70/572066470.db2.gz SOKNNLYTMPNBIK-IUCAKERBSA-N 1 3 170.300 1.217 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CCCNC1 82648632 572066491 /nfs/dbraw/zinc/06/64/91/572066491.db2.gz HFYRCOBAGVMQGA-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCCNC1 82648632 572066492 /nfs/dbraw/zinc/06/64/92/572066492.db2.gz HFYRCOBAGVMQGA-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)C[C@@H]1CCC[NH2+]C1 82648632 572066495 /nfs/dbraw/zinc/06/64/95/572066495.db2.gz HFYRCOBAGVMQGA-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO C[NH2+][C@H](C)[C@@H]1CCCN(CC2CC2)C1 82646521 572066594 /nfs/dbraw/zinc/06/65/94/572066594.db2.gz GRJJOUWXUBYNPQ-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H](C)[C@@H]1CCC[N@H+](CC2CC2)C1 82646521 572066598 /nfs/dbraw/zinc/06/65/98/572066598.db2.gz GRJJOUWXUBYNPQ-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 82646521 572066600 /nfs/dbraw/zinc/06/66/00/572066600.db2.gz GRJJOUWXUBYNPQ-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[NH2+]CCCN(C)C[C@@H]1C[C@@H]1C 82648430 572066723 /nfs/dbraw/zinc/06/67/23/572066723.db2.gz CYDJFFCPAMWREU-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)C[C@H](C)CN 36783196 572066777 /nfs/dbraw/zinc/06/67/77/572066777.db2.gz KVQQOOONPCBDQD-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)C[C@@H]1C[C@@H]1C 82647922 572066830 /nfs/dbraw/zinc/06/68/30/572066830.db2.gz FCDQTQMXUUTHQT-GUBZILKMSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82647922 572066832 /nfs/dbraw/zinc/06/68/32/572066832.db2.gz FCDQTQMXUUTHQT-GUBZILKMSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)C[C@@H]1C[C@@H]1C 82647922 572066833 /nfs/dbraw/zinc/06/68/33/572066833.db2.gz FCDQTQMXUUTHQT-GUBZILKMSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1CN 82647942 572066875 /nfs/dbraw/zinc/06/68/75/572066875.db2.gz MGXMBZCRTSIYEW-IRCOFANPSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 82647942 572066878 /nfs/dbraw/zinc/06/68/78/572066878.db2.gz MGXMBZCRTSIYEW-IRCOFANPSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H](CN(C)[C@@H](C)C1CC1)C(N)=[NH2+] 36785546 572066902 /nfs/dbraw/zinc/06/69/02/572066902.db2.gz UPHUOXSETUAOBJ-YUMQZZPRSA-N 1 3 183.299 1.289 10 0 ADAEHO CC(C)[NH2+]CCCN(C)C[C@@H]1C[C@H]1C 82648429 572067083 /nfs/dbraw/zinc/06/70/83/572067083.db2.gz CYDJFFCPAMWREU-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@H+](C)CCCNC1CC1 82648402 572067133 /nfs/dbraw/zinc/06/71/33/572067133.db2.gz CEUYFYAEDFZLIM-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@@H+](C)CCCNC1CC1 82648402 572067138 /nfs/dbraw/zinc/06/71/38/572067138.db2.gz CEUYFYAEDFZLIM-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)CCC[NH2+]C1CC1 82648402 572067140 /nfs/dbraw/zinc/06/71/40/572067140.db2.gz CEUYFYAEDFZLIM-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1CN 82647941 572067148 /nfs/dbraw/zinc/06/71/48/572067148.db2.gz MGXMBZCRTSIYEW-DDHJBXDOSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 82647941 572067152 /nfs/dbraw/zinc/06/71/52/572067152.db2.gz MGXMBZCRTSIYEW-DDHJBXDOSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)C[C@@H]1CCCNC1 82648634 572067180 /nfs/dbraw/zinc/06/71/80/572067180.db2.gz HFYRCOBAGVMQGA-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCCNC1 82648634 572067184 /nfs/dbraw/zinc/06/71/84/572067184.db2.gz HFYRCOBAGVMQGA-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)C[C@@H]1CCC[NH2+]C1 82648634 572067185 /nfs/dbraw/zinc/06/71/85/572067185.db2.gz HFYRCOBAGVMQGA-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)CC[C@@H](C)[NH3+] 82648426 572067233 /nfs/dbraw/zinc/06/72/33/572067233.db2.gz ZMJLVLGROPQQLD-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C[C@H]1C[C@H]1C 82648511 572067429 /nfs/dbraw/zinc/06/74/29/572067429.db2.gz ISSUISZPVOZJRJ-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H](C1CC1)N(C)CCC(N)=[NH2+] 36785538 572067444 /nfs/dbraw/zinc/06/74/44/572067444.db2.gz AOHPEBCMAAHXBO-ZETCQYMHSA-N 1 3 169.272 1.043 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)C[C@H]([NH3+])C(C)(C)C 82648259 572067579 /nfs/dbraw/zinc/06/75/79/572067579.db2.gz VAQWJLWULTVDKP-MXWKQRLJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C[C@@H]1C[C@@H]1C 82648514 572067607 /nfs/dbraw/zinc/06/76/07/572067607.db2.gz ISSUISZPVOZJRJ-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO NCCC[N@H+](CC1CC1)C1CC1 36765322 572067662 /nfs/dbraw/zinc/06/76/62/572067662.db2.gz NGBFOXWAKDJQCZ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO NCCC[N@@H+](CC1CC1)C1CC1 36765322 572067664 /nfs/dbraw/zinc/06/76/64/572067664.db2.gz NGBFOXWAKDJQCZ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CC(C)[NH2+]CCCN(C)C[C@H]1C[C@@H]1C 82648428 572067665 /nfs/dbraw/zinc/06/76/65/572067665.db2.gz CYDJFFCPAMWREU-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO [NH3+]CCCN(CC1CC1)C1CC1 36765322 572067668 /nfs/dbraw/zinc/06/76/68/572067668.db2.gz NGBFOXWAKDJQCZ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C[C@H]1C[C@@H]1C 82648512 572067621 /nfs/dbraw/zinc/06/76/21/572067621.db2.gz ISSUISZPVOZJRJ-HBNTYKKESA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)C[C@@H]1C[C@@H]1C 82647949 572067743 /nfs/dbraw/zinc/06/77/43/572067743.db2.gz BJVITLMJIZZZAG-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82647949 572067746 /nfs/dbraw/zinc/06/77/46/572067746.db2.gz BJVITLMJIZZZAG-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)C[C@@H]1CCCNC1 82648633 572067975 /nfs/dbraw/zinc/06/79/75/572067975.db2.gz HFYRCOBAGVMQGA-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCCNC1 82648633 572067979 /nfs/dbraw/zinc/06/79/79/572067979.db2.gz HFYRCOBAGVMQGA-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)C[C@@H]1CCC[NH2+]C1 82648633 572067981 /nfs/dbraw/zinc/06/79/81/572067981.db2.gz HFYRCOBAGVMQGA-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[NH2+][C@H](C)CCN(C)C[C@@H]1C[C@@H]1C 82648336 572068317 /nfs/dbraw/zinc/06/83/17/572068317.db2.gz ATBRGYLBVUWHIU-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 36790842 572068332 /nfs/dbraw/zinc/06/83/32/572068332.db2.gz HMYOYOMXPWEJQA-BDAKNGLRSA-N 1 3 185.315 1.679 10 0 ADAEHO CCC[NH2+]CCCN(C)C[C@H]1C[C@@H]1C 82648356 572068359 /nfs/dbraw/zinc/06/83/59/572068359.db2.gz FJROFXGJFQHCPJ-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CS[C@H]1CC[C@H]([NH2+]CCCN)C1 235102935 572068364 /nfs/dbraw/zinc/06/83/64/572068364.db2.gz AXLCRAORVPCCNU-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)CCCNC1CC1 82648401 572068417 /nfs/dbraw/zinc/06/84/17/572068417.db2.gz CEUYFYAEDFZLIM-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)CCCNC1CC1 82648401 572068421 /nfs/dbraw/zinc/06/84/21/572068421.db2.gz CEUYFYAEDFZLIM-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)CCC[NH2+]C1CC1 82648401 572068425 /nfs/dbraw/zinc/06/84/25/572068425.db2.gz CEUYFYAEDFZLIM-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)C[C@@H]1C[C@@H]1C 82647950 572068479 /nfs/dbraw/zinc/06/84/79/572068479.db2.gz BJVITLMJIZZZAG-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)C[C@@H]1C[C@@H]1C 82647950 572068480 /nfs/dbraw/zinc/06/84/80/572068480.db2.gz BJVITLMJIZZZAG-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH2+]CCCN(C)C[C@H]1C[C@@H]1C 82648504 572068489 /nfs/dbraw/zinc/06/84/89/572068489.db2.gz JZHYVUUVPUWFDO-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)C[C@H]([NH3+])C(C)(C)C 82648261 572068696 /nfs/dbraw/zinc/06/86/96/572068696.db2.gz VAQWJLWULTVDKP-VWYCJHECSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1CN 82647943 572068864 /nfs/dbraw/zinc/06/88/64/572068864.db2.gz MGXMBZCRTSIYEW-WISYIIOYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](CN(C)C[C@H]1C[C@H]1C)C(N)=[NH2+] 82648749 572068781 /nfs/dbraw/zinc/06/87/81/572068781.db2.gz VFZZBQBTTCJQAO-IWSPIJDZSA-N 1 3 183.299 1.146 10 0 ADAEHO CC[C@H](N)C[N@H+](C)[C@@H]1CCSC1 36872069 572068807 /nfs/dbraw/zinc/06/88/07/572068807.db2.gz QYNVNGWIHVSUSF-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](N)C[N@@H+](C)[C@@H]1CCSC1 36872069 572068827 /nfs/dbraw/zinc/06/88/27/572068827.db2.gz QYNVNGWIHVSUSF-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[NH2+][C@@H](C)[C@@H]1CCCN(CC2CC2)C1 82646520 572068828 /nfs/dbraw/zinc/06/88/28/572068828.db2.gz GRJJOUWXUBYNPQ-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)[C@@H]1CCC[N@H+](CC2CC2)C1 82646520 572068830 /nfs/dbraw/zinc/06/88/30/572068830.db2.gz GRJJOUWXUBYNPQ-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 82646520 572068833 /nfs/dbraw/zinc/06/88/33/572068833.db2.gz GRJJOUWXUBYNPQ-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 82647943 572068867 /nfs/dbraw/zinc/06/88/67/572068867.db2.gz MGXMBZCRTSIYEW-WISYIIOYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 82647944 572068906 /nfs/dbraw/zinc/06/89/06/572068906.db2.gz MGXMBZCRTSIYEW-WHOHXGKFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1CN 82647944 572068904 /nfs/dbraw/zinc/06/89/04/572068904.db2.gz MGXMBZCRTSIYEW-WHOHXGKFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)C[C@@H]1CC[NH2+]C1 82648672 572068932 /nfs/dbraw/zinc/06/89/32/572068932.db2.gz UAPCXWOEZYLSCN-AXFHLTTASA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)C[C@@H]1CC[NH2+]C1 82648671 572069029 /nfs/dbraw/zinc/06/90/29/572069029.db2.gz UAPCXWOEZYLSCN-MXWKQRLJSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N(C)C[C@H]1C[C@H]1C 82648751 572069112 /nfs/dbraw/zinc/06/91/12/572069112.db2.gz BVPVWJPTXWVMLB-HRDYMLBCSA-N 1 3 183.299 1.289 10 0 ADAEHO CCC[NH2+]CCCN(C)C[C@@H]1C[C@@H]1C 82648355 572069142 /nfs/dbraw/zinc/06/91/42/572069142.db2.gz FJROFXGJFQHCPJ-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650542 572069556 /nfs/dbraw/zinc/06/95/56/572069556.db2.gz CFHAPQQZWQJNRW-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCC[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650542 572069559 /nfs/dbraw/zinc/06/95/59/572069559.db2.gz CFHAPQQZWQJNRW-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]CC[C@@H](C)N(C)C[C@@H]1C[C@@H]1C 82650542 572069560 /nfs/dbraw/zinc/06/95/60/572069560.db2.gz CFHAPQQZWQJNRW-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)C[C@@H](C)CN 36790048 572069585 /nfs/dbraw/zinc/06/95/85/572069585.db2.gz YDKJRTNTGVLJOI-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN 36790048 572069588 /nfs/dbraw/zinc/06/95/88/572069588.db2.gz YDKJRTNTGVLJOI-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)C[C@]1(C)CC[NH2+]C1 82651156 572069660 /nfs/dbraw/zinc/06/96/60/572069660.db2.gz GHHRUWFJTAHPTB-IJLUTSLNSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)CC[C@@H](C)N 36790516 572069664 /nfs/dbraw/zinc/06/96/64/572069664.db2.gz MORSOXQBUNXWOY-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)CC[C@@H](C)N 36790516 572069668 /nfs/dbraw/zinc/06/96/68/572069668.db2.gz MORSOXQBUNXWOY-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@H](C)N(C)CC[C@@H](C)[NH3+] 36790516 572069672 /nfs/dbraw/zinc/06/96/72/572069672.db2.gz MORSOXQBUNXWOY-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)CC[C@@H]1CCC[NH2+]1 82651244 572069715 /nfs/dbraw/zinc/06/97/15/572069715.db2.gz KGARYPTYLWNZAA-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82651666 572069798 /nfs/dbraw/zinc/06/97/98/572069798.db2.gz OCTWMTOUGRSPEO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 82651666 572069800 /nfs/dbraw/zinc/06/98/00/572069800.db2.gz OCTWMTOUGRSPEO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H](C)N(C)CCC(N)=[NH2+] 36790823 572069900 /nfs/dbraw/zinc/06/99/00/572069900.db2.gz DWJUDPVRPTWYOZ-MRVPVSSYSA-N 1 3 171.288 1.433 10 0 ADAEHO CN[C@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 82651706 572069952 /nfs/dbraw/zinc/06/99/52/572069952.db2.gz UXMCHXYMDZXUGI-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 82651706 572069965 /nfs/dbraw/zinc/06/99/65/572069965.db2.gz UXMCHXYMDZXUGI-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C)[C@@H]1CCCN(CC(C)C)C1 82651706 572069967 /nfs/dbraw/zinc/06/99/67/572069967.db2.gz UXMCHXYMDZXUGI-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1C[C@H]1C 82651205 572069987 /nfs/dbraw/zinc/06/99/87/572069987.db2.gz LHYFTRPGJHVDRS-RHYQMDGZSA-N 1 3 196.338 1.430 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](C)CCN 82651740 572070101 /nfs/dbraw/zinc/07/01/01/572070101.db2.gz WIXHJZZJSULTIV-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)CCN 82651740 572070103 /nfs/dbraw/zinc/07/01/03/572070103.db2.gz WIXHJZZJSULTIV-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)[C@@H](C)CC[NH3+] 82651740 572070105 /nfs/dbraw/zinc/07/01/05/572070105.db2.gz WIXHJZZJSULTIV-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)CC[C@@H]1CCC[NH2+]1 82651243 572070126 /nfs/dbraw/zinc/07/01/26/572070126.db2.gz KGARYPTYLWNZAA-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1C[C@H]1C 82651203 572070257 /nfs/dbraw/zinc/07/02/57/572070257.db2.gz LHYFTRPGJHVDRS-KXNHARMFSA-N 1 3 196.338 1.430 10 0 ADAEHO CC[C@@H](N)C[N@H+](C)[C@@H]1CCSC1 36872070 572070371 /nfs/dbraw/zinc/07/03/71/572070371.db2.gz QYNVNGWIHVSUSF-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](N)C[N@@H+](C)[C@@H]1CCSC1 36872070 572070373 /nfs/dbraw/zinc/07/03/73/572070373.db2.gz QYNVNGWIHVSUSF-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82651206 572070420 /nfs/dbraw/zinc/07/04/20/572070420.db2.gz LHYFTRPGJHVDRS-BJDJZHNGSA-N 1 3 196.338 1.430 10 0 ADAEHO CC[C@@H](N)C[N@H+](CC)C1CC1 36872042 572070453 /nfs/dbraw/zinc/07/04/53/572070453.db2.gz MCOKAJUAFFQIDH-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](N)C[N@@H+](CC)C1CC1 36872042 572070454 /nfs/dbraw/zinc/07/04/54/572070454.db2.gz MCOKAJUAFFQIDH-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H](C)[N@H+](C)C[C@@H](C)CN 36790049 572070735 /nfs/dbraw/zinc/07/07/35/572070735.db2.gz YDKJRTNTGVLJOI-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)C[C@@H](C)CN 36790049 572070737 /nfs/dbraw/zinc/07/07/37/572070737.db2.gz YDKJRTNTGVLJOI-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCNCC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650543 572070785 /nfs/dbraw/zinc/07/07/85/572070785.db2.gz CFHAPQQZWQJNRW-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650543 572070787 /nfs/dbraw/zinc/07/07/87/572070787.db2.gz CFHAPQQZWQJNRW-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]CC[C@H](C)N(C)C[C@@H]1C[C@@H]1C 82650543 572070790 /nfs/dbraw/zinc/07/07/90/572070790.db2.gz CFHAPQQZWQJNRW-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)C[C@@H]1CCC[C@@H]1N 82651764 572070808 /nfs/dbraw/zinc/07/08/08/572070808.db2.gz KBMQYAZWNYKUGI-BJDJZHNGSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1N 82651764 572070811 /nfs/dbraw/zinc/07/08/11/572070811.db2.gz KBMQYAZWNYKUGI-BJDJZHNGSA-N 1 3 196.338 1.702 10 0 ADAEHO C[NH2+]CC(C)(C)CN(C)C[C@H]1C[C@H]1C 82650163 572070866 /nfs/dbraw/zinc/07/08/66/572070866.db2.gz YFAKSLQFZRLUBL-GHMZBOCLSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@H+](C)C[C@H]1C[C@H]1C 82650163 572070868 /nfs/dbraw/zinc/07/08/68/572070868.db2.gz YFAKSLQFZRLUBL-GHMZBOCLSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@@H+](C)C[C@H]1C[C@H]1C 82650163 572070870 /nfs/dbraw/zinc/07/08/70/572070870.db2.gz YFAKSLQFZRLUBL-GHMZBOCLSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 82650502 572070881 /nfs/dbraw/zinc/07/08/81/572070881.db2.gz IGVYTGQLOWEKLR-VWYCJHECSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82650502 572070883 /nfs/dbraw/zinc/07/08/83/572070883.db2.gz IGVYTGQLOWEKLR-VWYCJHECSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]CC[C@H](C)N(C)C[C@@H]1C[C@H]1C 82650502 572070885 /nfs/dbraw/zinc/07/08/85/572070885.db2.gz IGVYTGQLOWEKLR-VWYCJHECSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CCC[C@@H]1N 82651761 572071037 /nfs/dbraw/zinc/07/10/37/572071037.db2.gz KBMQYAZWNYKUGI-KXNHARMFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1N 82651761 572071040 /nfs/dbraw/zinc/07/10/40/572071040.db2.gz KBMQYAZWNYKUGI-KXNHARMFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)C[C@H]1C[C@H]1C 82651737 572071057 /nfs/dbraw/zinc/07/10/57/572071057.db2.gz WIXHJZZJSULTIV-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)C[C@H]1C[C@H]1C 82651737 572071060 /nfs/dbraw/zinc/07/10/60/572071060.db2.gz WIXHJZZJSULTIV-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)C[C@H]1C[C@H]1C 82651737 572071063 /nfs/dbraw/zinc/07/10/63/572071063.db2.gz WIXHJZZJSULTIV-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[NH2+]CC(C)(C)CN(C)C[C@@H]1C[C@@H]1C 82650166 572071096 /nfs/dbraw/zinc/07/10/96/572071096.db2.gz YFAKSLQFZRLUBL-QWRGUYRKSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@H+](C)C[C@@H]1C[C@@H]1C 82650166 572071099 /nfs/dbraw/zinc/07/10/99/572071099.db2.gz YFAKSLQFZRLUBL-QWRGUYRKSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82650166 572071100 /nfs/dbraw/zinc/07/11/00/572071100.db2.gz YFAKSLQFZRLUBL-QWRGUYRKSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@H+](C)C[C@@H]1C[C@H]1C 82650165 572071263 /nfs/dbraw/zinc/07/12/63/572071263.db2.gz YFAKSLQFZRLUBL-MNOVXSKESA-N 1 3 198.354 1.820 10 0 ADAEHO C[NH2+]CC(C)(C)CN(C)C[C@H]1C[C@@H]1C 82650164 572071155 /nfs/dbraw/zinc/07/11/55/572071155.db2.gz YFAKSLQFZRLUBL-WDEREUQCSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@H+](C)C[C@H]1C[C@@H]1C 82650164 572071159 /nfs/dbraw/zinc/07/11/59/572071159.db2.gz YFAKSLQFZRLUBL-WDEREUQCSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@@H+](C)C[C@H]1C[C@@H]1C 82650164 572071161 /nfs/dbraw/zinc/07/11/61/572071161.db2.gz YFAKSLQFZRLUBL-WDEREUQCSA-N 1 3 198.354 1.820 10 0 ADAEHO C[NH2+]CC(C)(C)CN(C)C[C@@H]1C[C@H]1C 82650165 572071260 /nfs/dbraw/zinc/07/12/60/572071260.db2.gz YFAKSLQFZRLUBL-MNOVXSKESA-N 1 3 198.354 1.820 10 0 ADAEHO CC[C@H](N)C[N@H+](CC)C1CC1 36872041 572071262 /nfs/dbraw/zinc/07/12/62/572071262.db2.gz MCOKAJUAFFQIDH-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](N)C[N@@H+](CC)C1CC1 36872041 572071266 /nfs/dbraw/zinc/07/12/66/572071266.db2.gz MCOKAJUAFFQIDH-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CNCC(C)(C)C[N@@H+](C)C[C@@H]1C[C@H]1C 82650165 572071267 /nfs/dbraw/zinc/07/12/67/572071267.db2.gz YFAKSLQFZRLUBL-MNOVXSKESA-N 1 3 198.354 1.820 10 0 ADAEHO CCC[C@@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 36790841 572071288 /nfs/dbraw/zinc/07/12/88/572071288.db2.gz HMYOYOMXPWEJQA-RKDXNWHRSA-N 1 3 185.315 1.679 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)C[C@@H]1C[C@H]1C 82651739 572071499 /nfs/dbraw/zinc/07/14/99/572071499.db2.gz WIXHJZZJSULTIV-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)C[C@@H]1C[C@H]1C 82651739 572071503 /nfs/dbraw/zinc/07/15/03/572071503.db2.gz WIXHJZZJSULTIV-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)C[C@@H]1C[C@H]1C 82651739 572071504 /nfs/dbraw/zinc/07/15/04/572071504.db2.gz WIXHJZZJSULTIV-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1N 82651763 572071975 /nfs/dbraw/zinc/07/19/75/572071975.db2.gz KBMQYAZWNYKUGI-RHYQMDGZSA-N 1 3 196.338 1.702 10 0 ADAEHO CN[C@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 82651705 572071984 /nfs/dbraw/zinc/07/19/84/572071984.db2.gz UXMCHXYMDZXUGI-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 82651705 572071989 /nfs/dbraw/zinc/07/19/89/572071989.db2.gz UXMCHXYMDZXUGI-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C)[C@H]1CCCN(CC(C)C)C1 82651705 572071992 /nfs/dbraw/zinc/07/19/92/572071992.db2.gz UXMCHXYMDZXUGI-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C)N(C)CCC(N)=[NH2+] 36790825 572072050 /nfs/dbraw/zinc/07/20/50/572072050.db2.gz DWJUDPVRPTWYOZ-QMMMGPOBSA-N 1 3 171.288 1.433 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C 82650501 572072299 /nfs/dbraw/zinc/07/22/99/572072299.db2.gz IGVYTGQLOWEKLR-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82650501 572072302 /nfs/dbraw/zinc/07/23/02/572072302.db2.gz IGVYTGQLOWEKLR-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]CC[C@H](C)N(C)C[C@H]1C[C@@H]1C 82650501 572072304 /nfs/dbraw/zinc/07/23/04/572072304.db2.gz IGVYTGQLOWEKLR-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)CC[C@@H]1CCC[NH2+]1 82651245 572072380 /nfs/dbraw/zinc/07/23/80/572072380.db2.gz KGARYPTYLWNZAA-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CCC[C@@H]1N 82651762 572072485 /nfs/dbraw/zinc/07/24/85/572072485.db2.gz KBMQYAZWNYKUGI-YFKTTZPYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1N 82651762 572072486 /nfs/dbraw/zinc/07/24/86/572072486.db2.gz KBMQYAZWNYKUGI-YFKTTZPYSA-N 1 3 196.338 1.702 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650503 572072508 /nfs/dbraw/zinc/07/25/08/572072508.db2.gz IGVYTGQLOWEKLR-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650503 572072511 /nfs/dbraw/zinc/07/25/11/572072511.db2.gz IGVYTGQLOWEKLR-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]CC[C@H](C)N(C)C[C@@H]1C[C@@H]1C 82650503 572072513 /nfs/dbraw/zinc/07/25/13/572072513.db2.gz IGVYTGQLOWEKLR-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 82650500 572072581 /nfs/dbraw/zinc/07/25/81/572072581.db2.gz IGVYTGQLOWEKLR-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650500 572072585 /nfs/dbraw/zinc/07/25/85/572072585.db2.gz IGVYTGQLOWEKLR-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]CC[C@H](C)N(C)C[C@H]1C[C@H]1C 82650500 572072586 /nfs/dbraw/zinc/07/25/86/572072586.db2.gz IGVYTGQLOWEKLR-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)CC[C@@H]1CCC[NH2+]1 82651246 572072628 /nfs/dbraw/zinc/07/26/28/572072628.db2.gz KGARYPTYLWNZAA-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H](N)C[N@H+](CC)C1CC1 36873625 572072873 /nfs/dbraw/zinc/07/28/73/572072873.db2.gz RUHDTUQYTVCRIA-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](N)C[N@@H+](CC)C1CC1 36873625 572072876 /nfs/dbraw/zinc/07/28/76/572072876.db2.gz RUHDTUQYTVCRIA-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)(N)[C@@H]([NH3+])Cc1ccccc1 34321037 572073188 /nfs/dbraw/zinc/07/31/88/572073188.db2.gz WBGNEOZSTJCAMG-JTQLQIEISA-N 1 3 178.279 1.294 10 0 ADAEHO C[NH2+][C@H](C)CNCC1(C)CCCC1 82625885 572073515 /nfs/dbraw/zinc/07/35/15/572073515.db2.gz NVFCISLUVYCHDB-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@H](N)C[N@H+](CC)C1CC1 36873624 572073561 /nfs/dbraw/zinc/07/35/61/572073561.db2.gz RUHDTUQYTVCRIA-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@H](N)C[N@@H+](CC)C1CC1 36873624 572073564 /nfs/dbraw/zinc/07/35/64/572073564.db2.gz RUHDTUQYTVCRIA-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])CCNCCc1cscn1 82627045 572073629 /nfs/dbraw/zinc/07/36/29/572073629.db2.gz OAGZHCPQCZXECY-QMMMGPOBSA-N 1 3 199.323 1.013 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC1(C)CCCC1 82625882 572073931 /nfs/dbraw/zinc/07/39/31/572073931.db2.gz JOBCEZMXSOBHMV-JTQLQIEISA-N 1 3 184.327 1.751 10 0 ADAEHO CC1(C[NH2+]CCCN)CCCC1 82625829 572074001 /nfs/dbraw/zinc/07/40/01/572074001.db2.gz ILMPJQDXRMWPAD-UHFFFAOYSA-N 1 3 170.300 1.505 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1(C)CCCC1 82625867 572074152 /nfs/dbraw/zinc/07/41/52/572074152.db2.gz FGKRHCHKVZYKOU-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(C[NH2+]C[C@@H]2CCCN2)CCCC1 82625842 572074262 /nfs/dbraw/zinc/07/42/62/572074262.db2.gz SSVCWAOLOLCIRC-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1(C)CCCC1 82625868 572074426 /nfs/dbraw/zinc/07/44/26/572074426.db2.gz FGKRHCHKVZYKOU-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(CNCC[NH2+]C2CC2)CCCC1 82625846 572074446 /nfs/dbraw/zinc/07/44/46/572074446.db2.gz KYPAPFMAXBBMBC-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO C[C@@H]([NH3+])CCNCCc1cscn1 82627046 572074463 /nfs/dbraw/zinc/07/44/63/572074463.db2.gz OAGZHCPQCZXECY-MRVPVSSYSA-N 1 3 199.323 1.013 10 0 ADAEHO CC[NH2+]CCNCC1(C)CCCC1 82625850 572074506 /nfs/dbraw/zinc/07/45/06/572074506.db2.gz AUAFSZBKUXWVKP-UHFFFAOYSA-N 1 3 184.327 1.766 10 0 ADAEHO CC[C@H](N)C[NH2+]CCc1cscn1 82627043 572074598 /nfs/dbraw/zinc/07/45/98/572074598.db2.gz HFVBRPXKFOZIBD-QMMMGPOBSA-N 1 3 199.323 1.013 10 0 ADAEHO C[NH2+]CCNCC1(C)CCCC1 82625878 572074784 /nfs/dbraw/zinc/07/47/84/572074784.db2.gz ZZCLPRCQIHKATG-UHFFFAOYSA-N 1 3 170.300 1.376 10 0 ADAEHO CC[N@H+](CCCN)C1CCCC1 36883446 572074874 /nfs/dbraw/zinc/07/48/74/572074874.db2.gz MZAZWWUOUVQNEC-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC[N@@H+](CCCN)C1CCCC1 36883446 572074878 /nfs/dbraw/zinc/07/48/78/572074878.db2.gz MZAZWWUOUVQNEC-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@@H](N)C[NH2+]CCc1cscn1 82627044 572075253 /nfs/dbraw/zinc/07/52/53/572075253.db2.gz HFVBRPXKFOZIBD-MRVPVSSYSA-N 1 3 199.323 1.013 10 0 ADAEHO C[C@H](CN)C[NH2+]CC1(C)CCCC1 82625883 572075390 /nfs/dbraw/zinc/07/53/90/572075390.db2.gz JOBCEZMXSOBHMV-SNVBAGLBSA-N 1 3 184.327 1.751 10 0 ADAEHO CC(C)(N)C[NH2+]CCc1cscn1 82627025 572075553 /nfs/dbraw/zinc/07/55/53/572075553.db2.gz KNOCBDVOCRHFNK-UHFFFAOYSA-N 1 3 199.323 1.013 10 0 ADAEHO C[NH2+][C@@H](C)CNCC1(C)CCCC1 82625884 572075583 /nfs/dbraw/zinc/07/55/83/572075583.db2.gz NVFCISLUVYCHDB-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[N@H+](CCCN)C1CCCC1 36883454 572075773 /nfs/dbraw/zinc/07/57/73/572075773.db2.gz QIJQKSQOQNMICH-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCC[N@@H+](CCCN)C1CCCC1 36883454 572075774 /nfs/dbraw/zinc/07/57/74/572075774.db2.gz QIJQKSQOQNMICH-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@H+](CCCN)C1CC1 36883461 572075904 /nfs/dbraw/zinc/07/59/04/572075904.db2.gz CKOJHJFDLBQRFJ-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@@H+](CCCN)C1CC1 36883461 572075905 /nfs/dbraw/zinc/07/59/05/572075905.db2.gz CKOJHJFDLBQRFJ-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCCN(CCC[NH3+])C1CC1 36883461 572075907 /nfs/dbraw/zinc/07/59/07/572075907.db2.gz CKOJHJFDLBQRFJ-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO C1CCN(CCC[NH2+]CC2CC2)C1 36882444 572075958 /nfs/dbraw/zinc/07/59/58/572075958.db2.gz PLYFCMOKPHYAJL-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CNC[C@H](C)C[NH2+]CC1(C)CCC1 234392318 572077377 /nfs/dbraw/zinc/07/73/77/572077377.db2.gz GPVMNHHEPIHMAJ-JTQLQIEISA-N 1 3 184.327 1.622 10 0 ADAEHO CC(C)[C@H]([NH3+])CN1CC[C@@H](C2CC2)C1 400318413 572079224 /nfs/dbraw/zinc/07/92/24/572079224.db2.gz FDGRKVAACAZBQT-VXGBXAGGSA-N 1 3 196.338 1.702 10 0 ADAEHO CNC[C@H](C)C[NH2+]CC1(C(C)C)CC1 234392215 572078868 /nfs/dbraw/zinc/07/88/68/572078868.db2.gz PMXGYQGNGXBBTR-NSHDSACASA-N 1 3 198.354 1.868 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN1CC[C@H](C2CC2)C1 400318410 572079131 /nfs/dbraw/zinc/07/91/31/572079131.db2.gz FDGRKVAACAZBQT-RYUDHWBXSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CCCC[C@@H]1C 36986733 572079678 /nfs/dbraw/zinc/07/96/78/572079678.db2.gz MFKVUFMXDKMKBJ-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CCCC[C@@H]1C 36986733 572079682 /nfs/dbraw/zinc/07/96/82/572079682.db2.gz MFKVUFMXDKMKBJ-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)[C@H](N)C[N@H+](C)CC 37078996 572080412 /nfs/dbraw/zinc/08/04/12/572080412.db2.gz GLQSEZYVLUJTCP-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C)[C@H](N)C[N@@H+](C)CC 37078996 572080414 /nfs/dbraw/zinc/08/04/14/572080414.db2.gz GLQSEZYVLUJTCP-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CCCC[C@@H]1C 36986734 572080002 /nfs/dbraw/zinc/08/00/02/572080002.db2.gz MFKVUFMXDKMKBJ-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CCCC[C@@H]1C 36986734 572080005 /nfs/dbraw/zinc/08/00/05/572080005.db2.gz MFKVUFMXDKMKBJ-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CCCNCC1 82666948 572080245 /nfs/dbraw/zinc/08/02/45/572080245.db2.gz OSUSEMKPAJOHLC-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCNCC1 82666948 572080247 /nfs/dbraw/zinc/08/02/47/572080247.db2.gz OSUSEMKPAJOHLC-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)CC 37078948 572080748 /nfs/dbraw/zinc/08/07/48/572080748.db2.gz LEQKCKINYHZLGS-ZETCQYMHSA-N 1 3 157.261 1.043 10 0 ADAEHO CCN(CC[C@H](C)[NH3+])C1CC1 37079853 572080986 /nfs/dbraw/zinc/08/09/86/572080986.db2.gz VTDFBLITGSZXOO-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CCN)[N@H+](CC)C1CC1 37079470 572081205 /nfs/dbraw/zinc/08/12/05/572081205.db2.gz CQUDHTKFLBIJGY-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](CCN)[N@@H+](CC)C1CC1 37079470 572081208 /nfs/dbraw/zinc/08/12/08/572081208.db2.gz CQUDHTKFLBIJGY-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](CC[NH3+])N(CC)C1CC1 37079470 572081209 /nfs/dbraw/zinc/08/12/09/572081209.db2.gz CQUDHTKFLBIJGY-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+](C[C@@H](C)CN)C1CC1 37079471 572081298 /nfs/dbraw/zinc/08/12/98/572081298.db2.gz KJYYICANQXPHAK-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C[C@@H](C)CN)C1CC1 37079471 572081299 /nfs/dbraw/zinc/08/12/99/572081299.db2.gz KJYYICANQXPHAK-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C[C@@H](C)C[NH3+])C1CC1 37079471 572081301 /nfs/dbraw/zinc/08/13/01/572081301.db2.gz KJYYICANQXPHAK-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+](CC)C[C@H](C)CN 37094525 572081428 /nfs/dbraw/zinc/08/14/28/572081428.db2.gz HZXDOCLVNBIYNQ-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[N@@H+](CC)C[C@H](C)CN 37094525 572081432 /nfs/dbraw/zinc/08/14/32/572081432.db2.gz HZXDOCLVNBIYNQ-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCN(C)Cc1cccc(C(N)=[NH2+])c1 37078951 572081720 /nfs/dbraw/zinc/08/17/20/572081720.db2.gz KTWYYLKABWYTPL-UHFFFAOYSA-N 1 3 191.278 1.422 10 0 ADAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(C)CC1 235122515 572081727 /nfs/dbraw/zinc/08/17/27/572081727.db2.gz CQZWBPNCGXOOSN-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H](C)[C@@H](N)C[N@H+](C)CC 37078998 572081828 /nfs/dbraw/zinc/08/18/28/572081828.db2.gz GLQSEZYVLUJTCP-BDAKNGLRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C)[C@@H](N)C[N@@H+](C)CC 37078998 572081831 /nfs/dbraw/zinc/08/18/31/572081831.db2.gz GLQSEZYVLUJTCP-BDAKNGLRSA-N 1 3 158.289 1.312 10 0 ADAEHO CCN(CC[C@@H](C)[NH3+])C1CC1 37079852 572081929 /nfs/dbraw/zinc/08/19/29/572081929.db2.gz VTDFBLITGSZXOO-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[N@H+](CC)C[C@@H](C)CN 37094524 572081968 /nfs/dbraw/zinc/08/19/68/572081968.db2.gz HZXDOCLVNBIYNQ-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[N@@H+](CC)C[C@@H](C)CN 37094524 572081971 /nfs/dbraw/zinc/08/19/71/572081971.db2.gz HZXDOCLVNBIYNQ-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CN(Cc1ccnc(C[NH3+])c1)C1CC1 82668317 572081976 /nfs/dbraw/zinc/08/19/76/572081976.db2.gz TVFBTKOWTGWSFW-UHFFFAOYSA-N 1 3 191.278 1.135 10 0 ADAEHO CC[C@@H](CCN)[N@H+](CC)C1CC1 37079469 572082000 /nfs/dbraw/zinc/08/20/00/572082000.db2.gz CQUDHTKFLBIJGY-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](CC)C1CC1 37079469 572082003 /nfs/dbraw/zinc/08/20/03/572082003.db2.gz CQUDHTKFLBIJGY-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CC[NH3+])N(CC)C1CC1 37079469 572082010 /nfs/dbraw/zinc/08/20/10/572082010.db2.gz CQUDHTKFLBIJGY-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[NH+](CC)Cc1ccnc(CN)c1 82668298 572082231 /nfs/dbraw/zinc/08/22/31/572082231.db2.gz AFQUMLFYADWJPH-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CCC[N@H+](C)Cc1ccnc(CN)c1 82668323 572082332 /nfs/dbraw/zinc/08/23/32/572082332.db2.gz XPKPOCZVSSNKKP-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CCC[N@@H+](C)Cc1ccnc(CN)c1 82668323 572082334 /nfs/dbraw/zinc/08/23/34/572082334.db2.gz XPKPOCZVSSNKKP-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CNC[C@H](C)C[NH2+]CC1(C2CC2)CC1 234392490 572082425 /nfs/dbraw/zinc/08/24/25/572082425.db2.gz NTHJBFZIUSQMDC-JTQLQIEISA-N 1 3 196.338 1.622 10 0 ADAEHO CC[N@H+](C[C@H](C)CN)C1CC1 37079472 572083346 /nfs/dbraw/zinc/08/33/46/572083346.db2.gz KJYYICANQXPHAK-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C[C@H](C)CN)C1CC1 37079472 572083347 /nfs/dbraw/zinc/08/33/47/572083347.db2.gz KJYYICANQXPHAK-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C[C@H](C)C[NH3+])C1CC1 37079472 572083350 /nfs/dbraw/zinc/08/33/50/572083350.db2.gz KJYYICANQXPHAK-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[N@H+](C)Cc1ccnc(CN)c1 82668307 572082898 /nfs/dbraw/zinc/08/28/98/572082898.db2.gz JZXXVJURPGFRKR-UHFFFAOYSA-N 1 3 193.294 1.381 10 0 ADAEHO CC(C)[N@@H+](C)Cc1ccnc(CN)c1 82668307 572082902 /nfs/dbraw/zinc/08/29/02/572082902.db2.gz JZXXVJURPGFRKR-UHFFFAOYSA-N 1 3 193.294 1.381 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(C)CC 37078949 572083630 /nfs/dbraw/zinc/08/36/30/572083630.db2.gz LEQKCKINYHZLGS-SSDOTTSWSA-N 1 3 157.261 1.043 10 0 ADAEHO CC[C@H](C)[C@@H](N)C[N@H+](C)CC 37078999 572083812 /nfs/dbraw/zinc/08/38/12/572083812.db2.gz GLQSEZYVLUJTCP-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C)[C@@H](N)C[N@@H+](C)CC 37078999 572083814 /nfs/dbraw/zinc/08/38/14/572083814.db2.gz GLQSEZYVLUJTCP-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CCN(C)Cc1ccc(C(N)=[NH2+])cc1 37078955 572083837 /nfs/dbraw/zinc/08/38/37/572083837.db2.gz WSNFHAGFCMAHKN-UHFFFAOYSA-N 1 3 191.278 1.422 10 0 ADAEHO CCC[N@H+](CC)[C@H](CC)CCN 37094523 572083993 /nfs/dbraw/zinc/08/39/93/572083993.db2.gz QXJWYELRRJWFHS-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](CC)[C@H](CC)CCN 37094523 572083994 /nfs/dbraw/zinc/08/39/94/572083994.db2.gz QXJWYELRRJWFHS-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CN(Cc1ccccc1C[NH3+])C1CC1 37080576 572084438 /nfs/dbraw/zinc/08/44/38/572084438.db2.gz WCBPMISWGQOJMA-UHFFFAOYSA-N 1 3 190.290 1.740 10 0 ADAEHO CCN(C[C@@H](C)C(N)=[NH2+])C(C)C 37082382 572084536 /nfs/dbraw/zinc/08/45/36/572084536.db2.gz LHOWBFDPTXDDBF-MRVPVSSYSA-N 1 3 171.288 1.289 10 0 ADAEHO CC[N@H+](C[C@@H](N)C(C)C)C1CC1 37080156 572084591 /nfs/dbraw/zinc/08/45/91/572084591.db2.gz BOQOSEIHIDNSPK-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@@H+](C[C@@H](N)C(C)C)C1CC1 37080156 572084594 /nfs/dbraw/zinc/08/45/94/572084594.db2.gz BOQOSEIHIDNSPK-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C)[C@@H](N)C[N@H+](CC)C1CC1 37080151 572084604 /nfs/dbraw/zinc/08/46/04/572084604.db2.gz CWSGQPWNDTXEIH-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[C@@H](N)C[N@@H+](CC)C1CC1 37080151 572084606 /nfs/dbraw/zinc/08/46/06/572084606.db2.gz CWSGQPWNDTXEIH-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](CC[C@H](C)N)C(C)C 37082101 572085079 /nfs/dbraw/zinc/08/50/79/572085079.db2.gz FQEGDHOAMISXDP-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CC[N@@H+](CC[C@H](C)N)C(C)C 37082101 572085083 /nfs/dbraw/zinc/08/50/83/572085083.db2.gz FQEGDHOAMISXDP-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(CC[C@H](C)[NH3+])C(C)C 37082101 572085086 /nfs/dbraw/zinc/08/50/86/572085086.db2.gz FQEGDHOAMISXDP-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CN(Cc1cccc(C[NH3+])c1)C1CC1 37080556 572085218 /nfs/dbraw/zinc/08/52/18/572085218.db2.gz YJXNADSQEZPQIH-UHFFFAOYSA-N 1 3 190.290 1.740 10 0 ADAEHO CCN(CCC(N)=[NH2+])C(C)C 37082386 572085160 /nfs/dbraw/zinc/08/51/60/572085160.db2.gz XCCDJNUZETUSQW-UHFFFAOYSA-N 1 3 157.261 1.043 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)C1CC1 37081234 572085165 /nfs/dbraw/zinc/08/51/65/572085165.db2.gz APWLVGMJCODUQX-ZETCQYMHSA-N 1 3 169.272 1.185 10 0 ADAEHO CC[C@H](CCN)[N@H+](CC)C(C)C 37081695 572085199 /nfs/dbraw/zinc/08/51/99/572085199.db2.gz UPUDVIZHHDGSKW-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](CCN)[N@@H+](CC)C(C)C 37081695 572085202 /nfs/dbraw/zinc/08/52/02/572085202.db2.gz UPUDVIZHHDGSKW-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CCN(CC)CC[C@H]([NH3+])C1CC1 82681749 572085476 /nfs/dbraw/zinc/08/54/76/572085476.db2.gz NPKBUOPHUJRWOC-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN(C)C1CCCC1)C(N)=[NH2+] 37092853 572085724 /nfs/dbraw/zinc/08/57/24/572085724.db2.gz CCYDXVNJFDIYFY-QMMMGPOBSA-N 1 3 183.299 1.433 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)C1CC1 37080552 572085783 /nfs/dbraw/zinc/08/57/83/572085783.db2.gz RWBWUOUUDSCMOX-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)C1CC1 37080552 572085785 /nfs/dbraw/zinc/08/57/85/572085785.db2.gz RWBWUOUUDSCMOX-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](CC[NH3+])N(C)C1CC1 37080552 572085789 /nfs/dbraw/zinc/08/57/89/572085789.db2.gz RWBWUOUUDSCMOX-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)C[C@@H]1NCC[C@H](C(C)C)[C@@H]1[NH3+] 34480761 572085806 /nfs/dbraw/zinc/08/58/06/572085806.db2.gz WIWQCQJKEZGPTF-WOPDTQHZSA-N 1 3 198.354 1.994 10 0 ADAEHO CC[N@H+](CC[C@@H](C)N)C(C)C 37082100 572085841 /nfs/dbraw/zinc/08/58/41/572085841.db2.gz FQEGDHOAMISXDP-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)N)C(C)C 37082100 572085846 /nfs/dbraw/zinc/08/58/46/572085846.db2.gz FQEGDHOAMISXDP-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(CC[C@@H](C)[NH3+])C(C)C 37082100 572085849 /nfs/dbraw/zinc/08/58/49/572085849.db2.gz FQEGDHOAMISXDP-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(CC)C(C)C 37082380 572085890 /nfs/dbraw/zinc/08/58/90/572085890.db2.gz PLSQCVPUZNPDMO-VIFPVBQESA-N 1 3 185.315 1.821 10 0 ADAEHO CC[C@@H](CCN)[N@H+](CC)C(C)C 37081694 572086012 /nfs/dbraw/zinc/08/60/12/572086012.db2.gz UPUDVIZHHDGSKW-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](CC)C(C)C 37081694 572086014 /nfs/dbraw/zinc/08/60/14/572086014.db2.gz UPUDVIZHHDGSKW-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H]1CCCC[N@@H+]1CC[C@@H](C)N 37083186 572086037 /nfs/dbraw/zinc/08/60/37/572086037.db2.gz GSPVGWOUMQPWTL-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H]1CCCC[N@H+]1CC[C@@H](C)N 37083186 572086041 /nfs/dbraw/zinc/08/60/41/572086041.db2.gz GSPVGWOUMQPWTL-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)[C@@H](N)C[N@H+](CC)C1CC1 37080152 572086069 /nfs/dbraw/zinc/08/60/69/572086069.db2.gz CWSGQPWNDTXEIH-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@@H](N)C[N@@H+](CC)C1CC1 37080152 572086072 /nfs/dbraw/zinc/08/60/72/572086072.db2.gz CWSGQPWNDTXEIH-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](C[C@@H](C)CN)C(C)C 37081696 572086193 /nfs/dbraw/zinc/08/61/93/572086193.db2.gz WUWDRHJFKSGLKV-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@@H+](C[C@@H](C)CN)C(C)C 37081696 572086197 /nfs/dbraw/zinc/08/61/97/572086197.db2.gz WUWDRHJFKSGLKV-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@H+](C[C@H](C)CN)C(C)C 37081697 572086210 /nfs/dbraw/zinc/08/62/10/572086210.db2.gz WUWDRHJFKSGLKV-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@@H+](C[C@H](C)CN)C(C)C 37081697 572086212 /nfs/dbraw/zinc/08/62/12/572086212.db2.gz WUWDRHJFKSGLKV-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(CC)C1CC1 37080080 572086450 /nfs/dbraw/zinc/08/64/50/572086450.db2.gz FEANDFTXMGAYTK-MRVPVSSYSA-N 1 3 183.299 1.575 10 0 ADAEHO CCN(C[C@@H](C)C(N)=[NH2+])C1CC1 37080110 572086470 /nfs/dbraw/zinc/08/64/70/572086470.db2.gz ZXXQTQUBJNVWBE-SSDOTTSWSA-N 1 3 169.272 1.043 10 0 ADAEHO C[C@H](CN)C[N@H+](C)C1CCCC1 37083959 572086536 /nfs/dbraw/zinc/08/65/36/572086536.db2.gz PVSCXCHJSYEEJR-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)C1CCCC1 37083959 572086538 /nfs/dbraw/zinc/08/65/38/572086538.db2.gz PVSCXCHJSYEEJR-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C)[C@H](N)C[N@H+](CC)C1CC1 37080149 572086802 /nfs/dbraw/zinc/08/68/02/572086802.db2.gz CWSGQPWNDTXEIH-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[C@H](N)C[N@@H+](CC)C1CC1 37080149 572086804 /nfs/dbraw/zinc/08/68/04/572086804.db2.gz CWSGQPWNDTXEIH-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)C1CC1 37080553 572086943 /nfs/dbraw/zinc/08/69/43/572086943.db2.gz RWBWUOUUDSCMOX-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)C1CC1 37080553 572086946 /nfs/dbraw/zinc/08/69/46/572086946.db2.gz RWBWUOUUDSCMOX-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CC[NH3+])N(C)C1CC1 37080553 572086948 /nfs/dbraw/zinc/08/69/48/572086948.db2.gz RWBWUOUUDSCMOX-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](C)[C@H](N)C[N@H+](CC)C1CC1 37080150 572087029 /nfs/dbraw/zinc/08/70/29/572087029.db2.gz CWSGQPWNDTXEIH-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@H](N)C[N@@H+](CC)C1CC1 37080150 572087031 /nfs/dbraw/zinc/08/70/31/572087031.db2.gz CWSGQPWNDTXEIH-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)C1CCCC1 37083957 572087127 /nfs/dbraw/zinc/08/71/27/572087127.db2.gz UXVPZZRLLCFONM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)C1CCCC1 37083957 572087128 /nfs/dbraw/zinc/08/71/28/572087128.db2.gz UXVPZZRLLCFONM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(CC)C1CC1 37080079 572087230 /nfs/dbraw/zinc/08/72/30/572087230.db2.gz FEANDFTXMGAYTK-QMMMGPOBSA-N 1 3 183.299 1.575 10 0 ADAEHO CN(Cc1ccc(C[NH3+])cc1)C1CC1 37080577 572087258 /nfs/dbraw/zinc/08/72/58/572087258.db2.gz QFIDGBORESDGFE-UHFFFAOYSA-N 1 3 190.290 1.740 10 0 ADAEHO CC(C)(C)CCN1CC(C[NH3+])C1 84987845 572087403 /nfs/dbraw/zinc/08/74/03/572087403.db2.gz VVSCOOOZWFZAKU-UHFFFAOYSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H]1CCCC[N@@H+]1CC[C@@H](C)N 37083187 572087484 /nfs/dbraw/zinc/08/74/84/572087484.db2.gz GSPVGWOUMQPWTL-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H]1CCCC[N@H+]1CC[C@@H](C)N 37083187 572087488 /nfs/dbraw/zinc/08/74/88/572087488.db2.gz GSPVGWOUMQPWTL-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@H+](C[C@H](N)C(C)C)C1CC1 37080155 572087513 /nfs/dbraw/zinc/08/75/13/572087513.db2.gz BOQOSEIHIDNSPK-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@@H+](C[C@H](N)C(C)C)C1CC1 37080155 572087516 /nfs/dbraw/zinc/08/75/16/572087516.db2.gz BOQOSEIHIDNSPK-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN(CC)CCC(N)=[NH2+] 37095163 572088551 /nfs/dbraw/zinc/08/85/51/572088551.db2.gz KQIYHDWCLAUSEB-UHFFFAOYSA-N 1 3 157.261 1.044 10 0 ADAEHO CCC[C@H](C)CN1CC(C[NH3+])C1 84988202 572088774 /nfs/dbraw/zinc/08/87/74/572088774.db2.gz VRUVWUPXGJTGSX-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@H](C)C[NH+]1CC(CN)C1 84988202 572088778 /nfs/dbraw/zinc/08/87/78/572088778.db2.gz VRUVWUPXGJTGSX-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CCCN(CC)[C@@H](CC)CC(N)=[NH2+] 37095158 572089033 /nfs/dbraw/zinc/08/90/33/572089033.db2.gz SMBXORGKUWYFFN-VIFPVBQESA-N 1 3 185.315 1.823 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H](CC)CCN 37096784 572089041 /nfs/dbraw/zinc/08/90/41/572089041.db2.gz ZWPKTSWDAIYOBM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H](CC)CCN 37096784 572089043 /nfs/dbraw/zinc/08/90/43/572089043.db2.gz ZWPKTSWDAIYOBM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+](CC)CC[C@H](C)N 37094899 572089074 /nfs/dbraw/zinc/08/90/74/572089074.db2.gz FRUPYVYGNDPWNR-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](CC)CC[C@H](C)N 37094899 572089076 /nfs/dbraw/zinc/08/90/76/572089076.db2.gz FRUPYVYGNDPWNR-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCCN(CC)CC[C@H](C)[NH3+] 37094899 572089079 /nfs/dbraw/zinc/08/90/79/572089079.db2.gz FRUPYVYGNDPWNR-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCCN(C[C@@H](C)C(N)=[NH2+])C(C)C 37096282 572089116 /nfs/dbraw/zinc/08/91/16/572089116.db2.gz SHZQKOWKZDOWNB-SECBINFHSA-N 1 3 185.315 1.679 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H](CC)CCN 37096783 572089828 /nfs/dbraw/zinc/08/98/28/572089828.db2.gz ZWPKTSWDAIYOBM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H](CC)CCN 37096783 572089832 /nfs/dbraw/zinc/08/98/32/572089832.db2.gz ZWPKTSWDAIYOBM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+](CC)CC[C@@H](C)N 37094898 572089900 /nfs/dbraw/zinc/08/99/00/572089900.db2.gz FRUPYVYGNDPWNR-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](CC)CC[C@@H](C)N 37094898 572089901 /nfs/dbraw/zinc/08/99/01/572089901.db2.gz FRUPYVYGNDPWNR-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCCN(CC)CC[C@@H](C)[NH3+] 37094898 572089903 /nfs/dbraw/zinc/08/99/03/572089903.db2.gz FRUPYVYGNDPWNR-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@H+](C[C@@H](C)CN)C(C)C 37095662 572090064 /nfs/dbraw/zinc/09/00/64/572090064.db2.gz ANHICCGGQKVMCX-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+](C[C@@H](C)CN)C(C)C 37095662 572090065 /nfs/dbraw/zinc/09/00/65/572090065.db2.gz ANHICCGGQKVMCX-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@H+](C[C@H](C)CN)C(C)C 37095663 572090233 /nfs/dbraw/zinc/09/02/33/572090233.db2.gz ANHICCGGQKVMCX-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+](C[C@H](C)CN)C(C)C 37095663 572090237 /nfs/dbraw/zinc/09/02/37/572090237.db2.gz ANHICCGGQKVMCX-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@H+](C[C@@H](C)CN)C1CC1 37096785 572090403 /nfs/dbraw/zinc/09/04/03/572090403.db2.gz QVBWNIMJCIULQT-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C[C@@H](C)CN)C1CC1 37096785 572090404 /nfs/dbraw/zinc/09/04/04/572090404.db2.gz QVBWNIMJCIULQT-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCCN(C[C@@H](C)C[NH3+])C1CC1 37096785 572090407 /nfs/dbraw/zinc/09/04/07/572090407.db2.gz QVBWNIMJCIULQT-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+](CC[C@@H](C)N)C(C)C 37096014 572090433 /nfs/dbraw/zinc/09/04/33/572090433.db2.gz RELNWUAGBOCWMZ-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@@H+](CC[C@@H](C)N)C(C)C 37096014 572090435 /nfs/dbraw/zinc/09/04/35/572090435.db2.gz RELNWUAGBOCWMZ-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCN(CC[C@@H](C)[NH3+])C1CC1 37097160 572090516 /nfs/dbraw/zinc/09/05/16/572090516.db2.gz YFVPCUOZIXNNHR-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](CNCc2ccco2)C1 85014863 572090968 /nfs/dbraw/zinc/09/09/68/572090968.db2.gz HYQPGEGFEHJNSZ-NXEZZACHSA-N 1 3 194.278 1.497 10 0 ADAEHO CCCN(CC[C@H](C)[NH3+])C1CC1 37097161 572091246 /nfs/dbraw/zinc/09/12/46/572091246.db2.gz YFVPCUOZIXNNHR-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@H+](CC[C@H](C)N)C(C)C 37096015 572091301 /nfs/dbraw/zinc/09/13/01/572091301.db2.gz RELNWUAGBOCWMZ-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@@H+](CC[C@H](C)N)C(C)C 37096015 572091304 /nfs/dbraw/zinc/09/13/04/572091304.db2.gz RELNWUAGBOCWMZ-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CCCN(CCC(N)=[NH2+])C(C)C 37096286 572091333 /nfs/dbraw/zinc/09/13/33/572091333.db2.gz UAWZPWWOZQDDMG-UHFFFAOYSA-N 1 3 171.288 1.433 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](CNCc2ccco2)C1 85014865 572092279 /nfs/dbraw/zinc/09/22/79/572092279.db2.gz HYQPGEGFEHJNSZ-VHSXEESVSA-N 1 3 194.278 1.497 10 0 ADAEHO CCCN(CC)C[C@@H](C)C(N)=[NH2+] 37095159 572091579 /nfs/dbraw/zinc/09/15/79/572091579.db2.gz PQZAZSILRQXHGY-MRVPVSSYSA-N 1 3 171.288 1.290 10 0 ADAEHO CCCN(C)[C@@H](CC)CC(N)=[NH2+] 37098479 572092289 /nfs/dbraw/zinc/09/22/89/572092289.db2.gz NUGYWIKPSGBRFW-QMMMGPOBSA-N 1 3 171.288 1.433 10 0 ADAEHO [NH3+][C@H]1CC[C@H](CNCc2ccco2)C1 85014860 572092229 /nfs/dbraw/zinc/09/22/29/572092229.db2.gz HYQPGEGFEHJNSZ-UWVGGRQHSA-N 1 3 194.278 1.497 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](CNCc2ccco2)C1 85014858 572092370 /nfs/dbraw/zinc/09/23/70/572092370.db2.gz HYQPGEGFEHJNSZ-ZJUUUORDSA-N 1 3 194.278 1.497 10 0 ADAEHO CCCN(CCC(N)=[NH2+])C1CC1 37097432 572092748 /nfs/dbraw/zinc/09/27/48/572092748.db2.gz JAMXLWDPEYCVRD-UHFFFAOYSA-N 1 3 169.272 1.187 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)CC(C)C 37099085 572092919 /nfs/dbraw/zinc/09/29/19/572092919.db2.gz XVCCOROHQREFAF-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)CC(C)C 37099085 572092921 /nfs/dbraw/zinc/09/29/21/572092921.db2.gz XVCCOROHQREFAF-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CCCN(C1CC1)[C@@H](CC)CC(N)=[NH2+] 37097398 572092989 /nfs/dbraw/zinc/09/29/89/572092989.db2.gz SVYSBOTVYNAEPE-VIFPVBQESA-N 1 3 197.326 1.965 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)CC(C)C 37099086 572093156 /nfs/dbraw/zinc/09/31/56/572093156.db2.gz XVCCOROHQREFAF-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)CC(C)C 37099086 572093158 /nfs/dbraw/zinc/09/31/58/572093158.db2.gz XVCCOROHQREFAF-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCCN(C)CC[C@H]1CCCC[NH2+]1 37098500 572093394 /nfs/dbraw/zinc/09/33/94/572093394.db2.gz GFPWXSAXVYVCHW-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CS[C@@H]1CC[C@@H]([NH2+]CCCN)C1 235125318 572093646 /nfs/dbraw/zinc/09/36/46/572093646.db2.gz AXLCRAORVPCCNU-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO CCC[N@H+](C)[C@@H](CC)CCN 37097910 572093666 /nfs/dbraw/zinc/09/36/66/572093666.db2.gz XKXWDXWQBVYISC-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](C)[C@@H](CC)CCN 37097910 572093669 /nfs/dbraw/zinc/09/36/69/572093669.db2.gz XKXWDXWQBVYISC-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@H](C)[NH2+][C@@]12CCC[C@H]1NCC2 711711945 572093691 /nfs/dbraw/zinc/09/36/91/572093691.db2.gz DPWGDTSTIXUBIG-HBNTYKKESA-N 1 3 182.311 1.659 10 0 ADAEHO CCC[N@H+](C)[C@H](CC)CCN 37097911 572093748 /nfs/dbraw/zinc/09/37/48/572093748.db2.gz XKXWDXWQBVYISC-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](C)[C@H](CC)CCN 37097911 572093751 /nfs/dbraw/zinc/09/37/51/572093751.db2.gz XKXWDXWQBVYISC-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)C[N@H+](C)C[C@@H](C)CN 37099087 572094010 /nfs/dbraw/zinc/09/40/10/572094010.db2.gz GNLRNIWQXRHLBW-VIFPVBQESA-N 1 3 158.289 1.169 10 0 ADAEHO CC(C)C[N@H+](C)C[C@H](C)CN 37099088 572094898 /nfs/dbraw/zinc/09/48/98/572094898.db2.gz GNLRNIWQXRHLBW-SECBINFHSA-N 1 3 158.289 1.169 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@@H](C)CN 37099087 572094015 /nfs/dbraw/zinc/09/40/15/572094015.db2.gz GNLRNIWQXRHLBW-VIFPVBQESA-N 1 3 158.289 1.169 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@H](C)CN 37099088 572094901 /nfs/dbraw/zinc/09/49/01/572094901.db2.gz GNLRNIWQXRHLBW-SECBINFHSA-N 1 3 158.289 1.169 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(C)CC(C)C 37108656 572094258 /nfs/dbraw/zinc/09/42/58/572094258.db2.gz ARHPOAGMFFKYSZ-SECBINFHSA-N 1 3 185.315 1.679 10 0 ADAEHO CCCN(C)CC[C@@H]1CCCC[NH2+]1 37098499 572094364 /nfs/dbraw/zinc/09/43/64/572094364.db2.gz GFPWXSAXVYVCHW-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCN(C[C@@H](C)C(N)=[NH2+])C1CC1 37097428 572095117 /nfs/dbraw/zinc/09/51/17/572095117.db2.gz IUZJFYYDXZNXML-MRVPVSSYSA-N 1 3 183.299 1.433 10 0 ADAEHO C[C@@H](C[NH+]1CCCC1)n1ccnc1N 235126715 572095131 /nfs/dbraw/zinc/09/51/31/572095131.db2.gz FMFHTKUPDVMEHJ-VIFPVBQESA-N 1 3 194.282 1.122 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H](CC)CCN 37109513 572095319 /nfs/dbraw/zinc/09/53/19/572095319.db2.gz JWCMQLHBXNRJSU-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H](CC)CCN 37109513 572095321 /nfs/dbraw/zinc/09/53/21/572095321.db2.gz JWCMQLHBXNRJSU-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[N@H+](CC[C@H](C)N)CC(C)C 37111422 572095934 /nfs/dbraw/zinc/09/59/34/572095934.db2.gz JFMCTMCSVIMOFB-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@@H+](CC[C@H](C)N)CC(C)C 37111422 572095939 /nfs/dbraw/zinc/09/59/39/572095939.db2.gz JFMCTMCSVIMOFB-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CC[C@@H](C)N 37109980 572096055 /nfs/dbraw/zinc/09/60/55/572096055.db2.gz YMQBZZJCTWOXCX-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CC[C@@H](C)N 37109980 572096056 /nfs/dbraw/zinc/09/60/56/572096056.db2.gz YMQBZZJCTWOXCX-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H](C)N(C)CC[C@@H](C)[NH3+] 37109980 572096058 /nfs/dbraw/zinc/09/60/58/572096058.db2.gz YMQBZZJCTWOXCX-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 37110347 572096259 /nfs/dbraw/zinc/09/62/59/572096259.db2.gz NQDWSCARWNASTK-SFYZADRCSA-N 1 3 171.288 1.289 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)C[C@@H](C)CN 37112427 572096506 /nfs/dbraw/zinc/09/65/06/572096506.db2.gz FRYYIHSWQMFLLZ-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)C[C@@H](C)CN 37112427 572096509 /nfs/dbraw/zinc/09/65/09/572096509.db2.gz FRYYIHSWQMFLLZ-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@H+](C)CC[C@@H](C)N 37109981 572096609 /nfs/dbraw/zinc/09/66/09/572096609.db2.gz YMQBZZJCTWOXCX-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CC[C@@H](C)N 37109981 572096610 /nfs/dbraw/zinc/09/66/10/572096610.db2.gz YMQBZZJCTWOXCX-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](C)N(C)CC[C@@H](C)[NH3+] 37109981 572096614 /nfs/dbraw/zinc/09/66/14/572096614.db2.gz YMQBZZJCTWOXCX-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[N@H+](CC[C@@H](C)N)CC(C)C 37111421 572096682 /nfs/dbraw/zinc/09/66/82/572096682.db2.gz JFMCTMCSVIMOFB-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)N)CC(C)C 37111421 572096683 /nfs/dbraw/zinc/09/66/83/572096683.db2.gz JFMCTMCSVIMOFB-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@H+](CC)C[C@@H](C)CN 37112428 572096807 /nfs/dbraw/zinc/09/68/07/572096807.db2.gz FRYYIHSWQMFLLZ-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)C[C@@H](C)CN 37112428 572096811 /nfs/dbraw/zinc/09/68/11/572096811.db2.gz FRYYIHSWQMFLLZ-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@H+](CC(C)C)C[C@H](C)CN 37111011 572096836 /nfs/dbraw/zinc/09/68/36/572096836.db2.gz RAYDDYZCONOPFT-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[N@@H+](CC(C)C)C[C@H](C)CN 37111011 572096838 /nfs/dbraw/zinc/09/68/38/572096838.db2.gz RAYDDYZCONOPFT-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 37110346 572097089 /nfs/dbraw/zinc/09/70/89/572097089.db2.gz NQDWSCARWNASTK-HTQZYQBOSA-N 1 3 171.288 1.289 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)CC[C@@H](C)N 37112929 572097174 /nfs/dbraw/zinc/09/71/74/572097174.db2.gz MLRNYLRWBNILGD-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)CC[C@@H](C)N 37112929 572097178 /nfs/dbraw/zinc/09/71/78/572097178.db2.gz MLRNYLRWBNILGD-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](CC)CC[C@@H](C)N 37112930 572097303 /nfs/dbraw/zinc/09/73/03/572097303.db2.gz MLRNYLRWBNILGD-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)CC[C@@H](C)N 37112930 572097304 /nfs/dbraw/zinc/09/73/04/572097304.db2.gz MLRNYLRWBNILGD-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)[C@H](C)CC 37110344 572097553 /nfs/dbraw/zinc/09/75/53/572097553.db2.gz PNWDHLYFXFUYCA-BDAKNGLRSA-N 1 3 185.315 1.821 10 0 ADAEHO CC[C@@H](C)N(CC)CCC(N)=[NH2+] 37113327 572097728 /nfs/dbraw/zinc/09/77/28/572097728.db2.gz YYSWQZFNBDKFHK-MRVPVSSYSA-N 1 3 171.288 1.433 10 0 ADAEHO CC[C@H](C)N(C)[C@@H](CC)CC(N)=[NH2+] 37110345 572097905 /nfs/dbraw/zinc/09/79/05/572097905.db2.gz PNWDHLYFXFUYCA-IUCAKERBSA-N 1 3 185.315 1.821 10 0 ADAEHO CCN(CCC(N)=[NH2+])CC(C)C 37111661 572098031 /nfs/dbraw/zinc/09/80/31/572098031.db2.gz VTQLBXYWDNHMQZ-UHFFFAOYSA-N 1 3 171.288 1.290 10 0 ADAEHO CC[C@H](C)N(CC)CCC(N)=[NH2+] 37113328 572098103 /nfs/dbraw/zinc/09/81/03/572098103.db2.gz YYSWQZFNBDKFHK-QMMMGPOBSA-N 1 3 171.288 1.433 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]2[C@@H]1CCCN2C 34589503 572098241 /nfs/dbraw/zinc/09/82/41/572098241.db2.gz AVXTWMLZJCZFEE-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H](C)N(CC)C[C@@H](C)C(N)=[NH2+] 37113319 572098447 /nfs/dbraw/zinc/09/84/47/572098447.db2.gz CUPFELWDPPZUET-RKDXNWHRSA-N 1 3 185.315 1.679 10 0 ADAEHO CC[N@H+](CC(C)C)C[C@@H](C)CN 37111010 572098902 /nfs/dbraw/zinc/09/89/02/572098902.db2.gz RAYDDYZCONOPFT-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC[N@@H+](CC(C)C)C[C@@H](C)CN 37111010 572098906 /nfs/dbraw/zinc/09/89/06/572098906.db2.gz RAYDDYZCONOPFT-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@H](C)N(CC)C[C@@H](C)C(N)=[NH2+] 37113320 572098994 /nfs/dbraw/zinc/09/89/94/572098994.db2.gz CUPFELWDPPZUET-BDAKNGLRSA-N 1 3 185.315 1.679 10 0 ADAEHO CC(C)C[N@H+](C)CC[C@H](C)N 37108384 572100611 /nfs/dbraw/zinc/10/06/11/572100611.db2.gz PYHZEOGERLMPLW-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)C[N@@H+](C)CC[C@H](C)N 37108384 572100616 /nfs/dbraw/zinc/10/06/16/572100616.db2.gz PYHZEOGERLMPLW-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)CN(C)CC[C@H](C)[NH3+] 37108384 572100618 /nfs/dbraw/zinc/10/06/18/572100618.db2.gz PYHZEOGERLMPLW-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CSC1(CN[C@@H](C)C[NH3+])CCC1 235132227 572100742 /nfs/dbraw/zinc/10/07/42/572100742.db2.gz XTADZMKXLVSZGG-QMMMGPOBSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(C)CC1 235130676 572100967 /nfs/dbraw/zinc/10/09/67/572100967.db2.gz CQZWBPNCGXOOSN-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)CC[C@@H](C)N 37172885 572103902 /nfs/dbraw/zinc/10/39/02/572103902.db2.gz JSMTXNFQMMHMMA-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)CC[C@@H](C)N 37172884 572103941 /nfs/dbraw/zinc/10/39/41/572103941.db2.gz JSMTXNFQMMHMMA-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)CC[C@@H](C)N 37172884 572103942 /nfs/dbraw/zinc/10/39/42/572103942.db2.gz JSMTXNFQMMHMMA-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)CN(C)CC[C@@H](C)[NH3+] 37172884 572103944 /nfs/dbraw/zinc/10/39/44/572103944.db2.gz JSMTXNFQMMHMMA-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1CN 37159639 572101874 /nfs/dbraw/zinc/10/18/74/572101874.db2.gz LUJSWOGFDROTGS-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCCC[C@]1(N)[C@@H]1CCC[NH2+]1 687782563 572101662 /nfs/dbraw/zinc/10/16/62/572101662.db2.gz LGYZWUFLUMXGFC-OUAUKWLOSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@](N)(C1CC1)[C@@H]1CCCC[NH2+]1 687782528 572101750 /nfs/dbraw/zinc/10/17/50/572101750.db2.gz CXFMYSBXWSMRGY-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@]([NH3+])(C1CC1)[C@@H]1CCCCN1 687782528 572101769 /nfs/dbraw/zinc/10/17/69/572101769.db2.gz CXFMYSBXWSMRGY-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO CCN[C@@H](C)[C@@](C)([NH3+])C1CC1 687782537 572101798 /nfs/dbraw/zinc/10/17/98/572101798.db2.gz FEKQFPVMVMLOEC-IONNQARKSA-N 1 3 156.273 1.112 10 0 ADAEHO CSCCCCC[NH2+]CCCN 235135888 572101833 /nfs/dbraw/zinc/10/18/33/572101833.db2.gz PNOHASAAHSYDGH-UHFFFAOYSA-N 1 3 190.356 1.458 10 0 ADAEHO CCN[C@@H](C)[C@](C)([NH3+])C1CC1 687782536 572101872 /nfs/dbraw/zinc/10/18/72/572101872.db2.gz FEKQFPVMVMLOEC-CBAPKCEASA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 37159639 572101877 /nfs/dbraw/zinc/10/18/77/572101877.db2.gz LUJSWOGFDROTGS-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCC[C@@H]1CN 37159544 572101982 /nfs/dbraw/zinc/10/19/82/572101982.db2.gz KWARGXOWPJAQHP-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCC[C@@H]1CN 37159544 572101988 /nfs/dbraw/zinc/10/19/88/572101988.db2.gz KWARGXOWPJAQHP-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@](N)(C1CC1)[C@H]1CCCC[NH2+]1 687782527 572102038 /nfs/dbraw/zinc/10/20/38/572102038.db2.gz CXFMYSBXWSMRGY-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@]([NH3+])(C1CC1)[C@H]1CCCCN1 687782527 572102042 /nfs/dbraw/zinc/10/20/42/572102042.db2.gz CXFMYSBXWSMRGY-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H]1CCC[C@@H]1CN 37159505 572102068 /nfs/dbraw/zinc/10/20/68/572102068.db2.gz AZBASKATSPANLQ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1CN 37159505 572102071 /nfs/dbraw/zinc/10/20/71/572102071.db2.gz AZBASKATSPANLQ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCCC[C@@H]1CN 37159542 572102119 /nfs/dbraw/zinc/10/21/19/572102119.db2.gz OLSRIDHQHJXCOV-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCCC[C@@H]1CN 37159542 572102123 /nfs/dbraw/zinc/10/21/23/572102123.db2.gz OLSRIDHQHJXCOV-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@@]1(N)[C@@H]1CCC[NH2+]1 687782564 572102901 /nfs/dbraw/zinc/10/29/01/572102901.db2.gz LGYZWUFLUMXGFC-VWYCJHECSA-N 1 3 182.311 1.646 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCC[C@@H]1CN 37159546 572102179 /nfs/dbraw/zinc/10/21/79/572102179.db2.gz KWARGXOWPJAQHP-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCC[C@@H]1CN 37159546 572102181 /nfs/dbraw/zinc/10/21/81/572102181.db2.gz KWARGXOWPJAQHP-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CCCC[C@]1(N)[C@H]1CCC[NH2+]1 687782561 572102275 /nfs/dbraw/zinc/10/22/75/572102275.db2.gz LGYZWUFLUMXGFC-GMTAPVOTSA-N 1 3 182.311 1.646 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CCC[C@@H]1CN 37159597 572102295 /nfs/dbraw/zinc/10/22/95/572102295.db2.gz JRBDZHOLIOYXEO-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CCC[C@@H]1CN 37159597 572102300 /nfs/dbraw/zinc/10/23/00/572102300.db2.gz JRBDZHOLIOYXEO-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CCN[C@H](C)[C@@]1([NH3+])CCC[C@@H](C)C1 687782580 572102360 /nfs/dbraw/zinc/10/23/60/572102360.db2.gz NTNLPTGSUKZSBC-GMTAPVOTSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CCC[C@@H]1CN 37159427 572102421 /nfs/dbraw/zinc/10/24/21/572102421.db2.gz NKRDZKANPLGCMY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 37159427 572102423 /nfs/dbraw/zinc/10/24/23/572102423.db2.gz NKRDZKANPLGCMY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN[C@H](C)[C@@](C)([NH3+])[C@H](C)CC 687782558 572102470 /nfs/dbraw/zinc/10/24/70/572102470.db2.gz LDBVCHJFCOPYDY-BBBLOLIVSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@](N)(C1CC1)[C@H]1CCCC[NH2+]1 687782530 572102560 /nfs/dbraw/zinc/10/25/60/572102560.db2.gz CXFMYSBXWSMRGY-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@]([NH3+])(C1CC1)[C@H]1CCCCN1 687782530 572102562 /nfs/dbraw/zinc/10/25/62/572102562.db2.gz CXFMYSBXWSMRGY-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H]1CCCC[C@@]1(N)[C@H]1CCC[NH2+]1 687782562 572102579 /nfs/dbraw/zinc/10/25/79/572102579.db2.gz LGYZWUFLUMXGFC-MXWKQRLJSA-N 1 3 182.311 1.646 10 0 ADAEHO CCN[C@H](C)[C@](C)([NH3+])C1CC1 687782535 572102611 /nfs/dbraw/zinc/10/26/11/572102611.db2.gz FEKQFPVMVMLOEC-APPZFPTMSA-N 1 3 156.273 1.112 10 0 ADAEHO CCN[C@H](C)[C@@](C)([NH3+])C1CC1 687782538 572102619 /nfs/dbraw/zinc/10/26/19/572102619.db2.gz FEKQFPVMVMLOEC-VXNVDRBHSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H]1CCC[C@@H]1CN 37159508 572102633 /nfs/dbraw/zinc/10/26/33/572102633.db2.gz AZBASKATSPANLQ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1CN 37159508 572102636 /nfs/dbraw/zinc/10/26/36/572102636.db2.gz AZBASKATSPANLQ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CCC[C@@H]1CN 37159429 572102651 /nfs/dbraw/zinc/10/26/51/572102651.db2.gz NKRDZKANPLGCMY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CCC[C@@H]1CN 37159429 572102653 /nfs/dbraw/zinc/10/26/53/572102653.db2.gz NKRDZKANPLGCMY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CCC[C@@H]1CN 37159595 572102670 /nfs/dbraw/zinc/10/26/70/572102670.db2.gz JRBDZHOLIOYXEO-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 37159595 572102672 /nfs/dbraw/zinc/10/26/72/572102672.db2.gz JRBDZHOLIOYXEO-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCCC[C@@H]1CN 37159540 572102693 /nfs/dbraw/zinc/10/26/93/572102693.db2.gz OLSRIDHQHJXCOV-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 37159540 572102696 /nfs/dbraw/zinc/10/26/96/572102696.db2.gz OLSRIDHQHJXCOV-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN[C@H](C)[C@](C)([NH3+])[C@@H](C)CC 687782559 572103248 /nfs/dbraw/zinc/10/32/48/572103248.db2.gz LDBVCHJFCOPYDY-IVZWLZJFSA-N 1 3 172.316 1.748 10 0 ADAEHO CCN[C@H](C)[C@]1([NH3+])CCC[C@H](C)C1 687782577 572103146 /nfs/dbraw/zinc/10/31/46/572103146.db2.gz NTNLPTGSUKZSBC-AXFHLTTASA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@](N)(C1CC1)[C@@H]1CCCC[NH2+]1 687782529 572103195 /nfs/dbraw/zinc/10/31/95/572103195.db2.gz CXFMYSBXWSMRGY-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@]([NH3+])(C1CC1)[C@@H]1CCCCN1 687782529 572103198 /nfs/dbraw/zinc/10/31/98/572103198.db2.gz CXFMYSBXWSMRGY-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO CCN[C@H](C)[C@@](C)([NH3+])[C@@H](C)CC 687782556 572103606 /nfs/dbraw/zinc/10/36/06/572103606.db2.gz LDBVCHJFCOPYDY-AEJSXWLSSA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@H](C)C[N@H+](C)CC[C@@H](C)N 37172885 572103900 /nfs/dbraw/zinc/10/39/00/572103900.db2.gz JSMTXNFQMMHMMA-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)CN(C)CC[C@@H](C)[NH3+] 37172885 572103905 /nfs/dbraw/zinc/10/39/05/572103905.db2.gz JSMTXNFQMMHMMA-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CCN[C@H](C)[C@](C)([NH3+])[C@H](C)CC 687782560 572103827 /nfs/dbraw/zinc/10/38/27/572103827.db2.gz LDBVCHJFCOPYDY-OPRDCNLKSA-N 1 3 172.316 1.748 10 0 ADAEHO CCN[C@H](C)[C@]1([NH3+])CCC[C@@H](C)C1 687782584 572103922 /nfs/dbraw/zinc/10/39/22/572103922.db2.gz NTNLPTGSUKZSBC-MXWKQRLJSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@H](C)CN(C)C[C@@H](C)C(N)=[NH2+] 37173354 572104009 /nfs/dbraw/zinc/10/40/09/572104009.db2.gz IYNMPAAYCCSNFJ-RKDXNWHRSA-N 1 3 185.315 1.536 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](CN)C1 34679302 572104556 /nfs/dbraw/zinc/10/45/56/572104556.db2.gz KHOAUSONTIUFIY-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](CN)C1 34679302 572104558 /nfs/dbraw/zinc/10/45/58/572104558.db2.gz KHOAUSONTIUFIY-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@](C)([NH3+])[C@](C)(N)CC 34729578 572104888 /nfs/dbraw/zinc/10/48/88/572104888.db2.gz DUEDLQASFQEKJI-OCAPTIKFSA-N 1 3 144.262 1.241 10 0 ADAEHO CC[C@](C)(N)[C@](C)([NH3+])CC 34729578 572104891 /nfs/dbraw/zinc/10/48/91/572104891.db2.gz DUEDLQASFQEKJI-OCAPTIKFSA-N 1 3 144.262 1.241 10 0 ADAEHO CC(C)[NH2+]C(C)(C)C[C@@H](C)N 17412009 572105216 /nfs/dbraw/zinc/10/52/16/572105216.db2.gz FAXMAGSAFLZSNW-MRVPVSSYSA-N 1 3 158.289 1.500 10 0 ADAEHO CC(C)[NH2+][C@H](C)CC(C)(C)N 17408130 572105500 /nfs/dbraw/zinc/10/55/00/572105500.db2.gz NFGVLFZEHYLQKW-MRVPVSSYSA-N 1 3 158.289 1.500 10 0 ADAEHO CC(C)N[C@H](C)CC(C)(C)[NH3+] 17408130 572105502 /nfs/dbraw/zinc/10/55/02/572105502.db2.gz NFGVLFZEHYLQKW-MRVPVSSYSA-N 1 3 158.289 1.500 10 0 ADAEHO CC(C)[NH2+][C@@H](C)CC(C)(C)N 17408128 572105547 /nfs/dbraw/zinc/10/55/47/572105547.db2.gz NFGVLFZEHYLQKW-QMMMGPOBSA-N 1 3 158.289 1.500 10 0 ADAEHO CC(C)N[C@@H](C)CC(C)(C)[NH3+] 17408128 572105549 /nfs/dbraw/zinc/10/55/49/572105549.db2.gz NFGVLFZEHYLQKW-QMMMGPOBSA-N 1 3 158.289 1.500 10 0 ADAEHO CC[C@](C)(N)[C@@](C)([NH3+])CC 34729582 572105887 /nfs/dbraw/zinc/10/58/87/572105887.db2.gz DUEDLQASFQEKJI-YUMQZZPRSA-N 1 3 144.262 1.241 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](CN)C1 34679300 572106173 /nfs/dbraw/zinc/10/61/73/572106173.db2.gz KHOAUSONTIUFIY-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](CN)C1 34679300 572106176 /nfs/dbraw/zinc/10/61/76/572106176.db2.gz KHOAUSONTIUFIY-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)([NH3+])CCN[C@H]1CC1(C)C 82773284 572107485 /nfs/dbraw/zinc/10/74/85/572107485.db2.gz IAKWMHYNYKDKKR-QMMMGPOBSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@](C)(N)[C@](C)([NH3+])CC 34729580 572106561 /nfs/dbraw/zinc/10/65/61/572106561.db2.gz DUEDLQASFQEKJI-HTQZYQBOSA-N 1 3 144.262 1.241 10 0 ADAEHO C[C@H]1C[C@H]1NCCC1([NH3+])CCCC1 82773339 572106779 /nfs/dbraw/zinc/10/67/79/572106779.db2.gz MBRZAKZRITWNQC-VHSXEESVSA-N 1 3 182.311 1.646 10 0 ADAEHO CCN(CCC(C)(C)[NH3+])C1CC1 82772874 572106808 /nfs/dbraw/zinc/10/68/08/572106808.db2.gz YSNZKAHPIMZQNP-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)CCC(C)(C)[NH3+] 82773446 572107746 /nfs/dbraw/zinc/10/77/46/572107746.db2.gz AZLJJMLNPHCGFG-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[C@@H]1NCCC1([NH3+])CCCC1 82773336 572107711 /nfs/dbraw/zinc/10/77/11/572107711.db2.gz MBRZAKZRITWNQC-ZJUUUORDSA-N 1 3 182.311 1.646 10 0 ADAEHO CN(CCC1([NH3+])CCCC1)C1CC1 82772876 572106975 /nfs/dbraw/zinc/10/69/75/572106975.db2.gz MGLYTBKPOANFSD-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CCN(C)CCC1([NH3+])CCCCC1 82772872 572107134 /nfs/dbraw/zinc/10/71/34/572107134.db2.gz WTUFMZIISHHDDP-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)CCC(C)(C)[NH3+] 82773447 572107162 /nfs/dbraw/zinc/10/71/62/572107162.db2.gz AZLJJMLNPHCGFG-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](CN)C1 37264999 572107255 /nfs/dbraw/zinc/10/72/55/572107255.db2.gz JSHWVDSKLHOJGG-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H](C)[N@H+]1CC[C@H](CN)C1 37264999 572107257 /nfs/dbraw/zinc/10/72/57/572107257.db2.gz JSHWVDSKLHOJGG-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[NH2+]CCC(C)(C)N 82773051 572107206 /nfs/dbraw/zinc/10/72/06/572107206.db2.gz DMOXDWAIWJWAHO-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO C[C@H]1C[C@@H]1NCCC1([NH3+])CCCC1 82773337 572107489 /nfs/dbraw/zinc/10/74/89/572107489.db2.gz MBRZAKZRITWNQC-UWVGGRQHSA-N 1 3 182.311 1.646 10 0 ADAEHO CCCN(C)CCC1([NH3+])CCCC1 82772898 572107627 /nfs/dbraw/zinc/10/76/27/572107627.db2.gz SCHKYADTEOUCLH-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CN(CCC1([NH3+])CCCC1)CC1CC1 82773022 572108145 /nfs/dbraw/zinc/10/81/45/572108145.db2.gz FGOUEUMCVOQZIB-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)[C@](C)([NH3+])CCN(C)C 17547195 572107774 /nfs/dbraw/zinc/10/77/74/572107774.db2.gz YEETWHGXJXYULX-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)C[NH2+]CCC1(N)CCCC1 82773057 572108003 /nfs/dbraw/zinc/10/80/03/572108003.db2.gz GJHSZBLRFFSAFS-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CN(CCC(C)(C)[NH3+])CC1CC1 82773023 572108073 /nfs/dbraw/zinc/10/80/73/572108073.db2.gz JNWJHMCPQCYSDZ-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO [NH3+]C1(CCNC2CC2)CCCCC1 82773056 572108289 /nfs/dbraw/zinc/10/82/89/572108289.db2.gz JBAASDDNOJSSKL-UHFFFAOYSA-N 1 3 182.311 1.790 10 0 ADAEHO CCCN(C)CCC(C)(C)[NH3+] 82772899 572108315 /nfs/dbraw/zinc/10/83/15/572108315.db2.gz HSYXDOHDQKOXOW-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](CN)C1 37264998 572108362 /nfs/dbraw/zinc/10/83/62/572108362.db2.gz JSHWVDSKLHOJGG-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO COC[C@H](C)N(C)CCC(C)(C)[NH3+] 82773163 572108363 /nfs/dbraw/zinc/10/83/63/572108363.db2.gz YQTXPQIKEVLYAI-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]CCC(C)(C)N 82773495 572109097 /nfs/dbraw/zinc/10/90/97/572109097.db2.gz DQPGJHVCCBVQTL-SNVBAGLBSA-N 1 3 186.343 1.996 10 0 ADAEHO CC(C)C[C@@H](C)[N@H+]1CC[C@H](CN)C1 37264998 572108367 /nfs/dbraw/zinc/10/83/67/572108367.db2.gz JSHWVDSKLHOJGG-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[C@H]1NCCC1([NH3+])CCCC1 82773338 572108504 /nfs/dbraw/zinc/10/85/04/572108504.db2.gz MBRZAKZRITWNQC-NXEZZACHSA-N 1 3 182.311 1.646 10 0 ADAEHO CCCC[NH2+]CCC(C)(C)N 82773075 572108560 /nfs/dbraw/zinc/10/85/60/572108560.db2.gz CNXZEXYLHXKXSR-UHFFFAOYSA-N 1 3 158.289 1.504 10 0 ADAEHO CC(C)([NH3+])CCNCCc1ccco1 82773177 572108862 /nfs/dbraw/zinc/10/88/62/572108862.db2.gz UPONCCRTJOXBBB-UHFFFAOYSA-N 1 3 196.294 1.539 10 0 ADAEHO CCN(C)CCC1([NH3+])CCCC1 82772870 572108922 /nfs/dbraw/zinc/10/89/22/572108922.db2.gz PFXYLMDQEXTLOX-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]CCC(C)(C)N 82773494 572109052 /nfs/dbraw/zinc/10/90/52/572109052.db2.gz DQPGJHVCCBVQTL-JTQLQIEISA-N 1 3 186.343 1.996 10 0 ADAEHO CCCN(CCC(C)(C)[NH3+])C1CC1 82772896 572109253 /nfs/dbraw/zinc/10/92/53/572109253.db2.gz KFGDOTGINKOUFY-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO COC[C@@H](C)N(C)CCC(C)(C)[NH3+] 82773164 572109322 /nfs/dbraw/zinc/10/93/22/572109322.db2.gz YQTXPQIKEVLYAI-SECBINFHSA-N 1 3 188.315 1.081 10 0 ADAEHO [NH3+]C1(CCNC2CC2)CCCC1 82773054 572109509 /nfs/dbraw/zinc/10/95/09/572109509.db2.gz JSLLDZCPCOQMHG-UHFFFAOYSA-N 1 3 168.284 1.400 10 0 ADAEHO CC(C)N(C)CCC1([NH3+])CCCC1 82772842 572109623 /nfs/dbraw/zinc/10/96/23/572109623.db2.gz YBBAGIYBWDXHBC-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO COCCCN(C)CCC(C)(C)[NH3+] 82773385 572109926 /nfs/dbraw/zinc/10/99/26/572109926.db2.gz RMVBPFLTYHXTOW-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](C)[NH2+]CCC(C)(C)N 82773050 572109944 /nfs/dbraw/zinc/10/99/44/572109944.db2.gz DMOXDWAIWJWAHO-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CC(C)([NH3+])CCN[C@@H]1CC1(C)C 82773285 572109954 /nfs/dbraw/zinc/10/99/54/572109954.db2.gz IAKWMHYNYKDKKR-MRVPVSSYSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@@](C)([NH3+])CCN(C)C 17547193 572109979 /nfs/dbraw/zinc/10/99/79/572109979.db2.gz YEETWHGXJXYULX-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO NC1(CC[NH2+]CC2CC2)CCCC1 82773069 572110074 /nfs/dbraw/zinc/11/00/74/572110074.db2.gz IWSKUGLBEGXGHH-UHFFFAOYSA-N 1 3 182.311 1.648 10 0 ADAEHO CCNCCC[NH2+]C1(C)CCCC1 82785828 572110212 /nfs/dbraw/zinc/11/02/12/572110212.db2.gz VDJBPHKVWAJUQU-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO CCC(C)(C)[NH2+][C@H](C)CCN 17648406 572110258 /nfs/dbraw/zinc/11/02/58/572110258.db2.gz JPZVPDLEEOIFEG-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CC[NH2+]CCNC1(C)CCCC1 82785907 572110461 /nfs/dbraw/zinc/11/04/61/572110461.db2.gz RZHYVIJTDQLSFT-UHFFFAOYSA-N 1 3 170.300 1.518 10 0 ADAEHO C[C@@H](CN)C[NH2+]C1(C)CCCC1 82785823 572110950 /nfs/dbraw/zinc/11/09/50/572110950.db2.gz FUFRTVBNZPREEI-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CCC(C)(C)[NH2+][C@@H](C)CCN 17648403 572111383 /nfs/dbraw/zinc/11/13/83/572111383.db2.gz JPZVPDLEEOIFEG-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO C[C@@H](N)CC[NH2+]C1(C)CCCC1 82785815 572111392 /nfs/dbraw/zinc/11/13/92/572111392.db2.gz LMELIBHVHQLGKG-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)CCC(C)(C)[NH3+] 82777073 572111483 /nfs/dbraw/zinc/11/14/83/572111483.db2.gz AZLJJMLNPHCGFG-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+]C(C)(C)CNC1(C)CCCC1 82785782 572111514 /nfs/dbraw/zinc/11/15/14/572111514.db2.gz HBVXWVXPMAEJKF-UHFFFAOYSA-N 1 3 184.327 1.907 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)CCC(C)(C)[NH3+] 82777074 572112068 /nfs/dbraw/zinc/11/20/68/572112068.db2.gz AZLJJMLNPHCGFG-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@H](C)CNC1(C)CCCC1 82785820 572112236 /nfs/dbraw/zinc/11/22/36/572112236.db2.gz RPZRILQMGQERGR-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)[NH2+]CCNC1(C)CCCC1 82785802 572112327 /nfs/dbraw/zinc/11/23/27/572112327.db2.gz AASVZKYTGQIKRE-UHFFFAOYSA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+][C@@H](C)CNC1(C)CCCC1 82785819 572112405 /nfs/dbraw/zinc/11/24/05/572112405.db2.gz RPZRILQMGQERGR-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO C1=C[C@@H](C[NH2+]C2CCNCC2)CC1 711762105 572112987 /nfs/dbraw/zinc/11/29/87/572112987.db2.gz YXOUCAKERSDRHG-SNVBAGLBSA-N 1 3 180.295 1.294 10 0 ADAEHO CC(=O)C[C@H](C)[N@H+](C)C1CCNCC1 82792550 572114124 /nfs/dbraw/zinc/11/41/24/572114124.db2.gz NGCRVAQQDGTYJX-VIFPVBQESA-N 1 3 198.310 1.038 10 0 ADAEHO CC(=O)C[C@H](C)[N@@H+](C)C1CCNCC1 82792550 572114127 /nfs/dbraw/zinc/11/41/27/572114127.db2.gz NGCRVAQQDGTYJX-VIFPVBQESA-N 1 3 198.310 1.038 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C(C)C 82802692 572120789 /nfs/dbraw/zinc/12/07/89/572120789.db2.gz SYCPQQMXDFTNNH-ZJUUUORDSA-N 1 3 172.316 1.713 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C(C)C 82802692 572120792 /nfs/dbraw/zinc/12/07/92/572120792.db2.gz SYCPQQMXDFTNNH-ZJUUUORDSA-N 1 3 172.316 1.713 10 0 ADAEHO CC(=O)C[C@@H](C)[N@H+](C)C1CCNCC1 82792551 572114903 /nfs/dbraw/zinc/11/49/03/572114903.db2.gz NGCRVAQQDGTYJX-SECBINFHSA-N 1 3 198.310 1.038 10 0 ADAEHO CC(=O)C[C@@H](C)[N@@H+](C)C1CCNCC1 82792551 572114904 /nfs/dbraw/zinc/11/49/04/572114904.db2.gz NGCRVAQQDGTYJX-SECBINFHSA-N 1 3 198.310 1.038 10 0 ADAEHO CCCN(C)[C@H](C)C[C@@H](C)[NH2+]C 82801263 572115655 /nfs/dbraw/zinc/11/56/55/572115655.db2.gz KQNPCKPNJVSDMU-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CCC[N@H+](C)[C@H](C)C[C@@H](C)NC 82801263 572115658 /nfs/dbraw/zinc/11/56/58/572115658.db2.gz KQNPCKPNJVSDMU-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CCC[N@@H+](C)[C@H](C)C[C@@H](C)NC 82801263 572115666 /nfs/dbraw/zinc/11/56/66/572115666.db2.gz KQNPCKPNJVSDMU-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H](C)N(C)C(C)C 82800974 572115726 /nfs/dbraw/zinc/11/57/26/572115726.db2.gz SYCPQQMXDFTNNH-NXEZZACHSA-N 1 3 172.316 1.713 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)C(C)C 82800974 572115729 /nfs/dbraw/zinc/11/57/29/572115729.db2.gz SYCPQQMXDFTNNH-NXEZZACHSA-N 1 3 172.316 1.713 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)C(C)C 82800974 572115732 /nfs/dbraw/zinc/11/57/32/572115732.db2.gz SYCPQQMXDFTNNH-NXEZZACHSA-N 1 3 172.316 1.713 10 0 ADAEHO COC[C@H](C)N(C)[C@@H](C)C[C@@H](C)[NH3+] 82801891 572116128 /nfs/dbraw/zinc/11/61/28/572116128.db2.gz KUTUDEMGYZAQDV-UTLUCORTSA-N 1 3 188.315 1.079 10 0 ADAEHO CCCC[N@H+](C)[C@@H](C)C[C@@H](C)N 82801056 572115857 /nfs/dbraw/zinc/11/58/57/572115857.db2.gz PCSMCTFLQNXFFL-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCC[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801056 572115859 /nfs/dbraw/zinc/11/58/59/572115859.db2.gz PCSMCTFLQNXFFL-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82801056 572115863 /nfs/dbraw/zinc/11/58/63/572115863.db2.gz PCSMCTFLQNXFFL-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[NH+](CC)[C@H](C)C[C@@H](C)N 82800850 572115868 /nfs/dbraw/zinc/11/58/68/572115868.db2.gz MVERRCCCRSVAHE-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(CC)[C@H](C)C[C@@H](C)[NH3+] 82800850 572115871 /nfs/dbraw/zinc/11/58/71/572115871.db2.gz MVERRCCCRSVAHE-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+](C)CC1CC1 82801598 572115922 /nfs/dbraw/zinc/11/59/22/572115922.db2.gz GYAPADGIWABDPD-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)CC1CC1 82801598 572115927 /nfs/dbraw/zinc/11/59/27/572115927.db2.gz GYAPADGIWABDPD-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N(C)CC1CC1 82801598 572115929 /nfs/dbraw/zinc/11/59/29/572115929.db2.gz GYAPADGIWABDPD-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H](C)C[C@@H](C)N 82801250 572115947 /nfs/dbraw/zinc/11/59/47/572115947.db2.gz NLNSREVBGLVXJS-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)N 82801250 572115951 /nfs/dbraw/zinc/11/59/51/572115951.db2.gz NLNSREVBGLVXJS-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CCCN(C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801250 572115953 /nfs/dbraw/zinc/11/59/53/572115953.db2.gz NLNSREVBGLVXJS-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CN[C@@H](C)C[C@H](C)[NH+]1CCCC1 82800823 572115962 /nfs/dbraw/zinc/11/59/62/572115962.db2.gz LBJSXFVWIQUVOY-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@@H](C)C[C@H](C)N1CCCC1 82800823 572115966 /nfs/dbraw/zinc/11/59/66/572115966.db2.gz LBJSXFVWIQUVOY-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@@H](C)C[C@H](C)N(C)C1CC1 82801180 572116001 /nfs/dbraw/zinc/11/60/01/572116001.db2.gz SWSFKMZHKOTTRH-IUCAKERBSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@H+](C(C)C)[C@H](C)C[C@@H](C)N 82801191 572116049 /nfs/dbraw/zinc/11/60/49/572116049.db2.gz NMHTVQBRTFHMKB-NXEZZACHSA-N 1 3 172.316 1.843 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)N 82801191 572116052 /nfs/dbraw/zinc/11/60/52/572116052.db2.gz NMHTVQBRTFHMKB-NXEZZACHSA-N 1 3 172.316 1.843 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)CC1CC1 82801599 572116089 /nfs/dbraw/zinc/11/60/89/572116089.db2.gz GYAPADGIWABDPD-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)CC1CC1 82801599 572116090 /nfs/dbraw/zinc/11/60/90/572116090.db2.gz GYAPADGIWABDPD-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N(C)CC1CC1 82801599 572116092 /nfs/dbraw/zinc/11/60/92/572116092.db2.gz GYAPADGIWABDPD-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)N 82801577 572116113 /nfs/dbraw/zinc/11/61/13/572116113.db2.gz JXGVNXULAXEKMB-UTLUCORTSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82801577 572116116 /nfs/dbraw/zinc/11/61/16/572116116.db2.gz JXGVNXULAXEKMB-UTLUCORTSA-N 1 3 170.300 1.597 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801605 572116606 /nfs/dbraw/zinc/11/66/06/572116606.db2.gz BLVBBUUPQBVAAN-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801605 572116607 /nfs/dbraw/zinc/11/66/07/572116607.db2.gz BLVBBUUPQBVAAN-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82801587 572116149 /nfs/dbraw/zinc/11/61/49/572116149.db2.gz VIZVSRPWJSGHMT-VWYCJHECSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)N 82801587 572116152 /nfs/dbraw/zinc/11/61/52/572116152.db2.gz VIZVSRPWJSGHMT-VWYCJHECSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[N@H+](C)[C@H](C)C[C@@H](C)N 82801261 572116159 /nfs/dbraw/zinc/11/61/59/572116159.db2.gz VBMRHZFSFYBHCV-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[N@@H+](C)[C@H](C)C[C@@H](C)N 82801261 572116162 /nfs/dbraw/zinc/11/61/62/572116162.db2.gz VBMRHZFSFYBHCV-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCCN(C)[C@H](C)C[C@@H](C)[NH3+] 82801261 572116164 /nfs/dbraw/zinc/11/61/64/572116164.db2.gz VBMRHZFSFYBHCV-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)CC1CC1 82801605 572116610 /nfs/dbraw/zinc/11/66/10/572116610.db2.gz BLVBBUUPQBVAAN-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)C[C@H](C)N1CCCCC1 82800985 572116183 /nfs/dbraw/zinc/11/61/83/572116183.db2.gz OGRCBAUFQJZHLB-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C)C[C@H](C)[NH+]1CCCCC1 82800985 572116186 /nfs/dbraw/zinc/11/61/86/572116186.db2.gz OGRCBAUFQJZHLB-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@@H](C)C[C@@H](C)N(C)C1CC1 82801178 572116196 /nfs/dbraw/zinc/11/61/96/572116196.db2.gz SWSFKMZHKOTTRH-DTWKUNHWSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H](C)C1 82801624 572116213 /nfs/dbraw/zinc/11/62/13/572116213.db2.gz QVCUHDBEWPXQRL-MXWKQRLJSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](C)C1 82801624 572116215 /nfs/dbraw/zinc/11/62/15/572116215.db2.gz QVCUHDBEWPXQRL-MXWKQRLJSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH+](CC)[C@@H](C)C[C@H](C)N 82800851 572116219 /nfs/dbraw/zinc/11/62/19/572116219.db2.gz MVERRCCCRSVAHE-IUCAKERBSA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(CC)[C@@H](C)C[C@H](C)[NH3+] 82800851 572116220 /nfs/dbraw/zinc/11/62/20/572116220.db2.gz MVERRCCCRSVAHE-IUCAKERBSA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(C1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82801165 572116231 /nfs/dbraw/zinc/11/62/31/572116231.db2.gz BXMCKTAWNSTXKO-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)NC[C@H]1CC1(C)C 235144323 572116279 /nfs/dbraw/zinc/11/62/79/572116279.db2.gz CLJWSFVUDBGDIF-VHSXEESVSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+]1CCC[C@@H](C)C1 82800940 572116307 /nfs/dbraw/zinc/11/63/07/572116307.db2.gz NGDBILYATBQIMS-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+]1CCC[C@@H](C)C1 82800940 572116308 /nfs/dbraw/zinc/11/63/08/572116308.db2.gz NGDBILYATBQIMS-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC)[C@@H](C)C[C@@H](C)N 82801230 572116351 /nfs/dbraw/zinc/11/63/51/572116351.db2.gz JWRBCPNHLVDRRA-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@@H+](CC)[C@@H](C)C[C@@H](C)N 82801230 572116354 /nfs/dbraw/zinc/11/63/54/572116354.db2.gz JWRBCPNHLVDRRA-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CN[C@@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801602 572116360 /nfs/dbraw/zinc/11/63/60/572116360.db2.gz BLVBBUUPQBVAAN-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801602 572116363 /nfs/dbraw/zinc/11/63/63/572116363.db2.gz BLVBBUUPQBVAAN-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)C[C@@H](C)N(C)CC1CC1 82801602 572116365 /nfs/dbraw/zinc/11/63/65/572116365.db2.gz BLVBBUUPQBVAAN-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)NC[C@@H]1CC1(C)C 235144119 572116379 /nfs/dbraw/zinc/11/63/79/572116379.db2.gz CLJWSFVUDBGDIF-UWVGGRQHSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)C[N@H+](C)[C@H](C)C[C@@H](C)N 82801273 572116509 /nfs/dbraw/zinc/11/65/09/572116509.db2.gz LDAKPIGOJVAWOW-NXEZZACHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H](C)C[C@@H](C)N 82801273 572116511 /nfs/dbraw/zinc/11/65/11/572116511.db2.gz LDAKPIGOJVAWOW-NXEZZACHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H](C)C[C@@H](C)N 82801272 572116535 /nfs/dbraw/zinc/11/65/35/572116535.db2.gz LDAKPIGOJVAWOW-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801272 572116540 /nfs/dbraw/zinc/11/65/40/572116540.db2.gz LDAKPIGOJVAWOW-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CCN(C)[C@@H](C)C[C@@H](C)[NH2+]C 82801152 572116568 /nfs/dbraw/zinc/11/65/68/572116568.db2.gz OIVGAPZFHZHUQI-BDAKNGLRSA-N 1 3 158.289 1.325 10 0 ADAEHO CC[NH2+][C@H](C)C[C@@H](C)N(C)C 82801032 572116713 /nfs/dbraw/zinc/11/67/13/572116713.db2.gz MVTMGSKTXJDCGU-RKDXNWHRSA-N 1 3 158.289 1.325 10 0 ADAEHO CCC[NH2+][C@@H](C)C[C@@H](C)N(C)C 82801027 572116740 /nfs/dbraw/zinc/11/67/40/572116740.db2.gz XZHBYSCNPYLIGC-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(C)C 82801031 572116755 /nfs/dbraw/zinc/11/67/55/572116755.db2.gz MVTMGSKTXJDCGU-DTWKUNHWSA-N 1 3 158.289 1.325 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)CC1CC1 82801601 572116813 /nfs/dbraw/zinc/11/68/13/572116813.db2.gz GYAPADGIWABDPD-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)CC1CC1 82801601 572116815 /nfs/dbraw/zinc/11/68/15/572116815.db2.gz GYAPADGIWABDPD-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N(C)CC1CC1 82801601 572116819 /nfs/dbraw/zinc/11/68/19/572116819.db2.gz GYAPADGIWABDPD-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CN[C@@H](C)C[C@@H](C)[NH+]1CCCC1 82800821 572116779 /nfs/dbraw/zinc/11/67/79/572116779.db2.gz LBJSXFVWIQUVOY-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@@H](C)C[C@@H](C)N1CCCC1 82800821 572116783 /nfs/dbraw/zinc/11/67/83/572116783.db2.gz LBJSXFVWIQUVOY-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H](C)N(C)C1CC1 82801179 572116865 /nfs/dbraw/zinc/11/68/65/572116865.db2.gz SWSFKMZHKOTTRH-RKDXNWHRSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@H](C)N(C)C1CC1 82801172 572116874 /nfs/dbraw/zinc/11/68/74/572116874.db2.gz IIIOAPMOKQFVBH-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(C1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82801164 572116895 /nfs/dbraw/zinc/11/68/95/572116895.db2.gz BXMCKTAWNSTXKO-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@H](C)N1CCCC1 82800815 572116907 /nfs/dbraw/zinc/11/69/07/572116907.db2.gz HYQZLTNXCZSILO-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H](C)C[C@H](C)N(C)CC 82801149 572116921 /nfs/dbraw/zinc/11/69/21/572116921.db2.gz INPDPZXNGJZGHF-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CN[C@@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801604 572119111 /nfs/dbraw/zinc/11/91/11/572119111.db2.gz BLVBBUUPQBVAAN-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(CC)[C@@H](C)C[C@@H](C)[NH2+]C 82800857 572117008 /nfs/dbraw/zinc/11/70/08/572117008.db2.gz UHRSERVWRJAXRB-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH+](CC)[C@@H](C)C[C@@H](C)NC 82800857 572117010 /nfs/dbraw/zinc/11/70/10/572117010.db2.gz UHRSERVWRJAXRB-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)C1CCCC1 82801217 572117023 /nfs/dbraw/zinc/11/70/23/572117023.db2.gz XTYRRGAZFICOSQ-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)C1CCCC1 82801217 572117027 /nfs/dbraw/zinc/11/70/27/572117027.db2.gz XTYRRGAZFICOSQ-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H](C)C[C@@H](C)N 82801190 572117056 /nfs/dbraw/zinc/11/70/56/572117056.db2.gz NMHTVQBRTFHMKB-ZJUUUORDSA-N 1 3 172.316 1.843 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)N 82801190 572117057 /nfs/dbraw/zinc/11/70/57/572117057.db2.gz NMHTVQBRTFHMKB-ZJUUUORDSA-N 1 3 172.316 1.843 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCC[C@@H]1C 82801579 572117070 /nfs/dbraw/zinc/11/70/70/572117070.db2.gz AENWMTUCZQXCDB-VWYCJHECSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(C)CC 82801146 572117292 /nfs/dbraw/zinc/11/72/92/572117292.db2.gz INPDPZXNGJZGHF-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCC[C@@H]1C 82801579 572117073 /nfs/dbraw/zinc/11/70/73/572117073.db2.gz AENWMTUCZQXCDB-VWYCJHECSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCC[N@H+](C)[C@H](C)C[C@@H](C)N 82801057 572117083 /nfs/dbraw/zinc/11/70/83/572117083.db2.gz PCSMCTFLQNXFFL-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCC[N@@H+](C)[C@H](C)C[C@@H](C)N 82801057 572117085 /nfs/dbraw/zinc/11/70/85/572117085.db2.gz PCSMCTFLQNXFFL-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCCN(C)[C@H](C)C[C@@H](C)[NH3+] 82801057 572117088 /nfs/dbraw/zinc/11/70/88/572117088.db2.gz PCSMCTFLQNXFFL-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CCC[C@H]1C 82801578 572117116 /nfs/dbraw/zinc/11/71/16/572117116.db2.gz AENWMTUCZQXCDB-MXWKQRLJSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+]1CCC[C@H]1C 82801578 572117120 /nfs/dbraw/zinc/11/71/20/572117120.db2.gz AENWMTUCZQXCDB-MXWKQRLJSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(CC)[C@H](C)C[C@@H](C)[NH2+]C 82800858 572117125 /nfs/dbraw/zinc/11/71/25/572117125.db2.gz UHRSERVWRJAXRB-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH+](CC)[C@H](C)C[C@@H](C)NC 82800858 572117127 /nfs/dbraw/zinc/11/71/27/572117127.db2.gz UHRSERVWRJAXRB-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[NH+]1CCCC1 82800822 572117131 /nfs/dbraw/zinc/11/71/31/572117131.db2.gz LBJSXFVWIQUVOY-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H](C)N1CCCC1 82800822 572117135 /nfs/dbraw/zinc/11/71/35/572117135.db2.gz LBJSXFVWIQUVOY-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[NH2+][C@@H](C)C[C@H](C)N(C)C 82801029 572117141 /nfs/dbraw/zinc/11/71/41/572117141.db2.gz XZHBYSCNPYLIGC-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82801586 572117182 /nfs/dbraw/zinc/11/71/82/572117182.db2.gz VIZVSRPWJSGHMT-OUAUKWLOSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)N 82801586 572117186 /nfs/dbraw/zinc/11/71/86/572117186.db2.gz VIZVSRPWJSGHMT-OUAUKWLOSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[NH2+][C@H](C)C[C@@H](C)N1CCCC1 82800814 572117191 /nfs/dbraw/zinc/11/71/91/572117191.db2.gz HYQZLTNXCZSILO-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@@H](C)N(C)C1CC1 82801170 572117235 /nfs/dbraw/zinc/11/72/35/572117235.db2.gz IIIOAPMOKQFVBH-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)CC1CC1 82801603 572117332 /nfs/dbraw/zinc/11/73/32/572117332.db2.gz BLVBBUUPQBVAAN-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801603 572117335 /nfs/dbraw/zinc/11/73/35/572117335.db2.gz BLVBBUUPQBVAAN-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H](C)N(C)CC1CC1 82801603 572117339 /nfs/dbraw/zinc/11/73/39/572117339.db2.gz BLVBBUUPQBVAAN-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(CCOC)[C@H](C)C[C@@H](C)[NH3+] 82801865 572117376 /nfs/dbraw/zinc/11/73/76/572117376.db2.gz JJEHOQCCQFXZCF-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H](C)N1CCCCC1 82800984 572117403 /nfs/dbraw/zinc/11/74/03/572117403.db2.gz OGRCBAUFQJZHLB-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[NH+]1CCCCC1 82800984 572117404 /nfs/dbraw/zinc/11/74/04/572117404.db2.gz OGRCBAUFQJZHLB-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+](CC)[C@H](C)C[C@@H](C)N 82801231 572117438 /nfs/dbraw/zinc/11/74/38/572117438.db2.gz JWRBCPNHLVDRRA-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@@H+](CC)[C@H](C)C[C@@H](C)N 82801231 572117441 /nfs/dbraw/zinc/11/74/41/572117441.db2.gz JWRBCPNHLVDRRA-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[NH2+][C@H](C)C[C@H](C)N1CCCC1 82800816 572117543 /nfs/dbraw/zinc/11/75/43/572117543.db2.gz HYQZLTNXCZSILO-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@H](C)N(C)CC 82801148 572117640 /nfs/dbraw/zinc/11/76/40/572117640.db2.gz INPDPZXNGJZGHF-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N1CCCCC1 82800986 572117706 /nfs/dbraw/zinc/11/77/06/572117706.db2.gz OGRCBAUFQJZHLB-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)C[C@H](C)[NH+]1CCCCC1 82800986 572117711 /nfs/dbraw/zinc/11/77/11/572117711.db2.gz OGRCBAUFQJZHLB-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)CC(C)C 82801274 572117847 /nfs/dbraw/zinc/11/78/47/572117847.db2.gz SGFLBHBHMUWAQM-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)CC(C)C 82801274 572117850 /nfs/dbraw/zinc/11/78/50/572117850.db2.gz SGFLBHBHMUWAQM-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO CC[NH2+][C@H](C)C[C@@H](C)N(C)C1CC1 82801171 572117884 /nfs/dbraw/zinc/11/78/84/572117884.db2.gz IIIOAPMOKQFVBH-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CS[C@H]1CCC[C@@H]1[NH2+]CCCN 235145935 572117911 /nfs/dbraw/zinc/11/79/11/572117911.db2.gz ZCMDCPOEFAFLIE-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO CS[C@H]1CCC[C@@H]1NCCC[NH3+] 235145935 572117914 /nfs/dbraw/zinc/11/79/14/572117914.db2.gz ZCMDCPOEFAFLIE-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO CC[NH+](CC)[C@@H](C)C[C@@H](C)N 82800849 572117959 /nfs/dbraw/zinc/11/79/59/572117959.db2.gz MVERRCCCRSVAHE-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[NH2+][C@H](C)C[C@@H](C)N(C)CC 82801147 572117954 /nfs/dbraw/zinc/11/79/54/572117954.db2.gz INPDPZXNGJZGHF-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CCN(CC)[C@@H](C)C[C@@H](C)[NH3+] 82800849 572117961 /nfs/dbraw/zinc/11/79/61/572117961.db2.gz MVERRCCCRSVAHE-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(CCOC)[C@@H](C)C[C@@H](C)[NH3+] 82801864 572117967 /nfs/dbraw/zinc/11/79/67/572117967.db2.gz JJEHOQCCQFXZCF-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+](C)C1CCCC1 82801216 572118005 /nfs/dbraw/zinc/11/80/05/572118005.db2.gz XTYRRGAZFICOSQ-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)C1CCCC1 82801216 572118006 /nfs/dbraw/zinc/11/80/06/572118006.db2.gz XTYRRGAZFICOSQ-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[NH2+][C@H](C)C[C@H](C)N(C)C 82801030 572118009 /nfs/dbraw/zinc/11/80/09/572118009.db2.gz XZHBYSCNPYLIGC-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH2+][C@H](C)C[C@H](C)N(C)C 82801034 572118015 /nfs/dbraw/zinc/11/80/15/572118015.db2.gz MVTMGSKTXJDCGU-BDAKNGLRSA-N 1 3 158.289 1.325 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@H](C)C[C@@H](C)N 82801456 572118063 /nfs/dbraw/zinc/11/80/63/572118063.db2.gz GWHRBSCWODVZIZ-BBBLOLIVSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@H](C)C[C@@H](C)N 82801456 572118065 /nfs/dbraw/zinc/11/80/65/572118065.db2.gz GWHRBSCWODVZIZ-BBBLOLIVSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](C)C1CCCC1 82801218 572118109 /nfs/dbraw/zinc/11/81/09/572118109.db2.gz XTYRRGAZFICOSQ-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](C)C1CCCC1 82801218 572118111 /nfs/dbraw/zinc/11/81/11/572118111.db2.gz XTYRRGAZFICOSQ-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCN(C)[C@H](C)C[C@@H](C)[NH2+]C 82801153 572118128 /nfs/dbraw/zinc/11/81/28/572118128.db2.gz OIVGAPZFHZHUQI-RKDXNWHRSA-N 1 3 158.289 1.325 10 0 ADAEHO COC[C@H](C)N(C)[C@@H](C)C[C@H](C)[NH3+] 82801890 572118159 /nfs/dbraw/zinc/11/81/59/572118159.db2.gz KUTUDEMGYZAQDV-GUBZILKMSA-N 1 3 188.315 1.079 10 0 ADAEHO CCC[NH2+][C@H](C)C[C@@H](C)N(C)C 82801028 572118283 /nfs/dbraw/zinc/11/82/83/572118283.db2.gz XZHBYSCNPYLIGC-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C1CC1 82801181 572118308 /nfs/dbraw/zinc/11/83/08/572118308.db2.gz SWSFKMZHKOTTRH-BDAKNGLRSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82801282 572118347 /nfs/dbraw/zinc/11/83/47/572118347.db2.gz QDKBNUYFHDCTPJ-BBBLOLIVSA-N 1 3 172.316 1.843 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801282 572118349 /nfs/dbraw/zinc/11/83/49/572118349.db2.gz QDKBNUYFHDCTPJ-BBBLOLIVSA-N 1 3 172.316 1.843 10 0 ADAEHO C[C@H]1CCCC[N@H+]1[C@@H](C)C[C@@H](C)N 82800878 572118400 /nfs/dbraw/zinc/11/84/00/572118400.db2.gz IPTBBLZGXCSRHD-VWYCJHECSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)N 82800878 572118401 /nfs/dbraw/zinc/11/84/01/572118401.db2.gz IPTBBLZGXCSRHD-VWYCJHECSA-N 1 3 184.327 1.987 10 0 ADAEHO CCN(CC)[C@H](C)C[C@H](C)[NH2+]C 82800860 572118403 /nfs/dbraw/zinc/11/84/03/572118403.db2.gz UHRSERVWRJAXRB-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH+](CC)[C@H](C)C[C@H](C)NC 82800860 572118404 /nfs/dbraw/zinc/11/84/04/572118404.db2.gz UHRSERVWRJAXRB-VHSXEESVSA-N 1 3 172.316 1.715 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C)C1 82801625 572118412 /nfs/dbraw/zinc/11/84/12/572118412.db2.gz QVCUHDBEWPXQRL-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)C1 82801625 572118414 /nfs/dbraw/zinc/11/84/14/572118414.db2.gz QVCUHDBEWPXQRL-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO COC[C@H](C)N(C)[C@H](C)C[C@@H](C)[NH3+] 82801889 572118473 /nfs/dbraw/zinc/11/84/73/572118473.db2.gz KUTUDEMGYZAQDV-BBBLOLIVSA-N 1 3 188.315 1.079 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 82801455 572118539 /nfs/dbraw/zinc/11/85/39/572118539.db2.gz GWHRBSCWODVZIZ-AEJSXWLSSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801455 572118543 /nfs/dbraw/zinc/11/85/43/572118543.db2.gz GWHRBSCWODVZIZ-AEJSXWLSSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@@H](C)N1CCCC1 82800813 572118578 /nfs/dbraw/zinc/11/85/78/572118578.db2.gz HYQZLTNXCZSILO-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO COC[C@H](C)N(C)[C@H](C)C[C@H](C)[NH3+] 82801888 572118584 /nfs/dbraw/zinc/11/85/84/572118584.db2.gz KUTUDEMGYZAQDV-AEJSXWLSSA-N 1 3 188.315 1.079 10 0 ADAEHO CCN(C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801162 572118603 /nfs/dbraw/zinc/11/86/03/572118603.db2.gz SEZLXCJVIUGYHN-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[NH+](CC)[C@H](C)C[C@H](C)N 82800852 572118611 /nfs/dbraw/zinc/11/86/11/572118611.db2.gz MVERRCCCRSVAHE-DTWKUNHWSA-N 1 3 158.289 1.454 10 0 ADAEHO CCN(CC)[C@H](C)C[C@H](C)[NH3+] 82800852 572118613 /nfs/dbraw/zinc/11/86/13/572118613.db2.gz MVERRCCCRSVAHE-DTWKUNHWSA-N 1 3 158.289 1.454 10 0 ADAEHO C[NH2+][C@@H](C)C[C@@H](C)N1CCCCC1 82800983 572118646 /nfs/dbraw/zinc/11/86/46/572118646.db2.gz OGRCBAUFQJZHLB-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C)C[C@@H](C)[NH+]1CCCCC1 82800983 572118650 /nfs/dbraw/zinc/11/86/50/572118650.db2.gz OGRCBAUFQJZHLB-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@H](C)N(C)C 82801033 572118660 /nfs/dbraw/zinc/11/86/60/572118660.db2.gz MVTMGSKTXJDCGU-IUCAKERBSA-N 1 3 158.289 1.325 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82801283 572118791 /nfs/dbraw/zinc/11/87/91/572118791.db2.gz QDKBNUYFHDCTPJ-UTLUCORTSA-N 1 3 172.316 1.843 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801283 572118795 /nfs/dbraw/zinc/11/87/95/572118795.db2.gz QDKBNUYFHDCTPJ-UTLUCORTSA-N 1 3 172.316 1.843 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+]1CC[C@@H](C)C1 82801622 572118808 /nfs/dbraw/zinc/11/88/08/572118808.db2.gz VVQUSLYYFWSLKR-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+]1CC[C@@H](C)C1 82801622 572118813 /nfs/dbraw/zinc/11/88/13/572118813.db2.gz VVQUSLYYFWSLKR-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO CCN(CC)[C@@H](C)C[C@H](C)[NH2+]C 82800859 572118828 /nfs/dbraw/zinc/11/88/28/572118828.db2.gz UHRSERVWRJAXRB-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH+](CC)[C@@H](C)C[C@H](C)NC 82800859 572118829 /nfs/dbraw/zinc/11/88/29/572118829.db2.gz UHRSERVWRJAXRB-UWVGGRQHSA-N 1 3 172.316 1.715 10 0 ADAEHO CCCN(C)[C@@H](C)C[C@@H](C)[NH2+]C 82801262 572118955 /nfs/dbraw/zinc/11/89/55/572118955.db2.gz KQNPCKPNJVSDMU-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CCC[N@H+](C)[C@@H](C)C[C@@H](C)NC 82801262 572118956 /nfs/dbraw/zinc/11/89/56/572118956.db2.gz KQNPCKPNJVSDMU-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CCC[N@@H+](C)[C@@H](C)C[C@@H](C)NC 82801262 572118959 /nfs/dbraw/zinc/11/89/59/572118959.db2.gz KQNPCKPNJVSDMU-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)CC(C)C 82801275 572118967 /nfs/dbraw/zinc/11/89/67/572118967.db2.gz SGFLBHBHMUWAQM-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)CC(C)C 82801275 572118968 /nfs/dbraw/zinc/11/89/68/572118968.db2.gz SGFLBHBHMUWAQM-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](C)CC1CC1 82801600 572118987 /nfs/dbraw/zinc/11/89/87/572118987.db2.gz GYAPADGIWABDPD-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](C)CC1CC1 82801600 572118988 /nfs/dbraw/zinc/11/89/88/572118988.db2.gz GYAPADGIWABDPD-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N(C)CC1CC1 82801600 572118989 /nfs/dbraw/zinc/11/89/89/572118989.db2.gz GYAPADGIWABDPD-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)[C@@H](C)C1CC1 82801458 572119076 /nfs/dbraw/zinc/11/90/76/572119076.db2.gz GWHRBSCWODVZIZ-UTLUCORTSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)[C@@H](C)C1CC1 82801458 572119081 /nfs/dbraw/zinc/11/90/81/572119081.db2.gz GWHRBSCWODVZIZ-UTLUCORTSA-N 1 3 184.327 1.843 10 0 ADAEHO CN[C@@H](C)C[C@H](C)[N@H+](C)CC1CC1 82801604 572119106 /nfs/dbraw/zinc/11/91/06/572119106.db2.gz BLVBBUUPQBVAAN-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)C[C@H](C)N(C)CC1CC1 82801604 572119116 /nfs/dbraw/zinc/11/91/16/572119116.db2.gz BLVBBUUPQBVAAN-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H](C)C[C@H](C)N(C)C1CC1 82801173 572119147 /nfs/dbraw/zinc/11/91/47/572119147.db2.gz IIIOAPMOKQFVBH-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@H](C)[NH+]1CCCC1 82800824 572119178 /nfs/dbraw/zinc/11/91/78/572119178.db2.gz LBJSXFVWIQUVOY-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N1CCCC1 82800824 572119185 /nfs/dbraw/zinc/11/91/85/572119185.db2.gz LBJSXFVWIQUVOY-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801163 572119221 /nfs/dbraw/zinc/11/92/21/572119221.db2.gz SEZLXCJVIUGYHN-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H](C)C[C@@H](C)N 82802505 572119476 /nfs/dbraw/zinc/11/94/76/572119476.db2.gz UESYKFADOVLWNL-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)N 82802505 572119479 /nfs/dbraw/zinc/11/94/79/572119479.db2.gz UESYKFADOVLWNL-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO COCCCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82802287 572119487 /nfs/dbraw/zinc/11/94/87/572119487.db2.gz PBLBZPLXAVZKOU-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO COCCCN(C)[C@@H](C)C[C@H](C)[NH3+] 82802286 572119496 /nfs/dbraw/zinc/11/94/96/572119496.db2.gz PBLBZPLXAVZKOU-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](CC1CC1)C1CC1 82803411 572119648 /nfs/dbraw/zinc/11/96/48/572119648.db2.gz JWQARQNMRZWHLS-UWVGGRQHSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](CC1CC1)C1CC1 82803411 572119651 /nfs/dbraw/zinc/11/96/51/572119651.db2.gz JWQARQNMRZWHLS-UWVGGRQHSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N(CC1CC1)C1CC1 82803411 572119652 /nfs/dbraw/zinc/11/96/52/572119652.db2.gz JWQARQNMRZWHLS-UWVGGRQHSA-N 1 3 196.338 1.987 10 0 ADAEHO C1=C[C@H](C[NH2+][C@H]2CCCNCC2)CC1 711776888 572119660 /nfs/dbraw/zinc/11/96/60/572119660.db2.gz IYFDCNNNLFXBFL-RYUDHWBXSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H](C)N 82802491 572119816 /nfs/dbraw/zinc/11/98/16/572119816.db2.gz NXXGCSYOLFKTIL-VLEAKVRGSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H](C)N 82802491 572119820 /nfs/dbraw/zinc/11/98/20/572119820.db2.gz NXXGCSYOLFKTIL-VLEAKVRGSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)[C@@H](C)C[C@@H](C)[NH3+] 82802491 572119821 /nfs/dbraw/zinc/11/98/21/572119821.db2.gz NXXGCSYOLFKTIL-VLEAKVRGSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+](C)CC1CCC1 82802234 572119907 /nfs/dbraw/zinc/11/99/07/572119907.db2.gz YWURRPJKRXMDFU-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)CC1CCC1 82802234 572119910 /nfs/dbraw/zinc/11/99/10/572119910.db2.gz YWURRPJKRXMDFU-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C)CCC[NH2+]C(C)(C)C 37482929 572119952 /nfs/dbraw/zinc/11/99/52/572119952.db2.gz HCVWXFZXJORFGU-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 82802492 572120833 /nfs/dbraw/zinc/12/08/33/572120833.db2.gz YQAYEHZHWZQWNP-WISYIIOYSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82802492 572120835 /nfs/dbraw/zinc/12/08/35/572120835.db2.gz YQAYEHZHWZQWNP-WISYIIOYSA-N 1 3 198.354 1.961 10 0 ADAEHO COCCCN(C)[C@H](C)C[C@@H](C)[NH3+] 82802285 572120177 /nfs/dbraw/zinc/12/01/77/572120177.db2.gz PBLBZPLXAVZKOU-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C[C@H]1C[C@H]1C 82802492 572120836 /nfs/dbraw/zinc/12/08/36/572120836.db2.gz YQAYEHZHWZQWNP-WISYIIOYSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82802495 572120256 /nfs/dbraw/zinc/12/02/56/572120256.db2.gz YQAYEHZHWZQWNP-USZNOCQGSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82802495 572120259 /nfs/dbraw/zinc/12/02/59/572120259.db2.gz YQAYEHZHWZQWNP-USZNOCQGSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C[C@@H]1C[C@@H]1C 82802495 572120261 /nfs/dbraw/zinc/12/02/61/572120261.db2.gz YQAYEHZHWZQWNP-USZNOCQGSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](C)CC[NH2+][C@H](C)C1CC1 398027076 572120319 /nfs/dbraw/zinc/12/03/19/572120319.db2.gz CTFHYXIIVBUBQB-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO COCCCN(C)[C@H](C)C[C@H](C)[NH3+] 82802284 572120395 /nfs/dbraw/zinc/12/03/95/572120395.db2.gz PBLBZPLXAVZKOU-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C(C)C 82802692 572120786 /nfs/dbraw/zinc/12/07/86/572120786.db2.gz SYCPQQMXDFTNNH-ZJUUUORDSA-N 1 3 172.316 1.713 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 82802494 572121963 /nfs/dbraw/zinc/12/19/63/572121963.db2.gz YQAYEHZHWZQWNP-WYUUTHIRSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](C)CC1CCC1 82802236 572120961 /nfs/dbraw/zinc/12/09/61/572120961.db2.gz YWURRPJKRXMDFU-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](C)CC1CCC1 82802236 572120967 /nfs/dbraw/zinc/12/09/67/572120967.db2.gz YWURRPJKRXMDFU-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+](CC1CC1)C1CC1 82803408 572121133 /nfs/dbraw/zinc/12/11/33/572121133.db2.gz JWQARQNMRZWHLS-VHSXEESVSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82803408 572121136 /nfs/dbraw/zinc/12/11/36/572121136.db2.gz JWQARQNMRZWHLS-VHSXEESVSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N(CC1CC1)C1CC1 82803408 572121142 /nfs/dbraw/zinc/12/11/42/572121142.db2.gz JWQARQNMRZWHLS-VHSXEESVSA-N 1 3 196.338 1.987 10 0 ADAEHO C1=C[C@@H](C[NH2+][C@@H]2CCCNCC2)CC1 711776889 572121207 /nfs/dbraw/zinc/12/12/07/572121207.db2.gz IYFDCNNNLFXBFL-VXGBXAGGSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+](CC1CC1)C1CC1 82803409 572121240 /nfs/dbraw/zinc/12/12/40/572121240.db2.gz JWQARQNMRZWHLS-NXEZZACHSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82803409 572121243 /nfs/dbraw/zinc/12/12/43/572121243.db2.gz JWQARQNMRZWHLS-NXEZZACHSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N(CC1CC1)C1CC1 82803409 572121245 /nfs/dbraw/zinc/12/12/45/572121245.db2.gz JWQARQNMRZWHLS-NXEZZACHSA-N 1 3 196.338 1.987 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C 82802493 572121363 /nfs/dbraw/zinc/12/13/63/572121363.db2.gz YQAYEHZHWZQWNP-WHOHXGKFSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82802493 572121366 /nfs/dbraw/zinc/12/13/66/572121366.db2.gz YQAYEHZHWZQWNP-WHOHXGKFSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C[C@H]1C[C@@H]1C 82802493 572121367 /nfs/dbraw/zinc/12/13/67/572121367.db2.gz YQAYEHZHWZQWNP-WHOHXGKFSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](C)CC[NH2+][C@@H](C)C1CC1 398027080 572121432 /nfs/dbraw/zinc/12/14/32/572121432.db2.gz CTFHYXIIVBUBQB-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)CC1CCC1 82802237 572121499 /nfs/dbraw/zinc/12/14/99/572121499.db2.gz YWURRPJKRXMDFU-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)CC1CCC1 82802237 572121501 /nfs/dbraw/zinc/12/15/01/572121501.db2.gz YWURRPJKRXMDFU-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(NCC[NH2+]CC2CC2)CCCC1 82802761 572121664 /nfs/dbraw/zinc/12/16/64/572121664.db2.gz YSDCPUUGRPTSFS-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)CC1CCC1 82802235 572121789 /nfs/dbraw/zinc/12/17/89/572121789.db2.gz YWURRPJKRXMDFU-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)CC1CCC1 82802235 572121792 /nfs/dbraw/zinc/12/17/92/572121792.db2.gz YWURRPJKRXMDFU-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82802494 572121965 /nfs/dbraw/zinc/12/19/65/572121965.db2.gz YQAYEHZHWZQWNP-WYUUTHIRSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C[C@@H]1C[C@H]1C 82802494 572121967 /nfs/dbraw/zinc/12/19/67/572121967.db2.gz YQAYEHZHWZQWNP-WYUUTHIRSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H](C)C[C@@H](C)N 82802504 572122052 /nfs/dbraw/zinc/12/20/52/572122052.db2.gz UESYKFADOVLWNL-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)N 82802504 572122055 /nfs/dbraw/zinc/12/20/55/572122055.db2.gz UESYKFADOVLWNL-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](CC1CC1)C1CC1 82803413 572122040 /nfs/dbraw/zinc/12/20/40/572122040.db2.gz JWQARQNMRZWHLS-ZJUUUORDSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](CC1CC1)C1CC1 82803413 572122042 /nfs/dbraw/zinc/12/20/42/572122042.db2.gz JWQARQNMRZWHLS-ZJUUUORDSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N(CC1CC1)C1CC1 82803413 572122044 /nfs/dbraw/zinc/12/20/44/572122044.db2.gz JWQARQNMRZWHLS-ZJUUUORDSA-N 1 3 196.338 1.987 10 0 ADAEHO C[NH2+]Cc1cccc2c1CN(C)CC2 214611216 572122112 /nfs/dbraw/zinc/12/21/12/572122112.db2.gz NEMJXSWSVVPOJY-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO C[NH2+]Cc1ccc2c(c1)CCN(C)C2 214611291 572123965 /nfs/dbraw/zinc/12/39/65/572123965.db2.gz WKXRUOKGULPWPY-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO CCC(C)(C)[N@H+](C)C[C@H](C)CNC 69631180 572124850 /nfs/dbraw/zinc/12/48/50/572124850.db2.gz QVKQSQTXVKLKAW-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC(C)(C)[N@@H+](C)C[C@H](C)CNC 69631180 572124853 /nfs/dbraw/zinc/12/48/53/572124853.db2.gz QVKQSQTXVKLKAW-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC(C)(C)[N@H+](C)C[C@@H](C)CNC 69631178 572124831 /nfs/dbraw/zinc/12/48/31/572124831.db2.gz QVKQSQTXVKLKAW-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CCC(C)(C)[N@@H+](C)C[C@@H](C)CNC 69631178 572124834 /nfs/dbraw/zinc/12/48/34/572124834.db2.gz QVKQSQTXVKLKAW-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CCNC[C@H](C)C[N@H+](CC)CC1CC1 69630389 572125358 /nfs/dbraw/zinc/12/53/58/572125358.db2.gz CJHPMFCVSGOIPA-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCNC[C@H](C)C[N@@H+](CC)CC1CC1 69630389 572125362 /nfs/dbraw/zinc/12/53/62/572125362.db2.gz CJHPMFCVSGOIPA-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]C[C@H](C)CN(CC)CC1CC1 69630389 572125363 /nfs/dbraw/zinc/12/53/63/572125363.db2.gz CJHPMFCVSGOIPA-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)C[C@H]1C[C@@H]1C 69627280 572125825 /nfs/dbraw/zinc/12/58/25/572125825.db2.gz NFWJNYMKCJYRQR-GARJFASQSA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)C[C@H]1C[C@@H]1C 69627280 572125828 /nfs/dbraw/zinc/12/58/28/572125828.db2.gz NFWJNYMKCJYRQR-GARJFASQSA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)C[C@H]1C[C@@H]1C 69627280 572125831 /nfs/dbraw/zinc/12/58/31/572125831.db2.gz NFWJNYMKCJYRQR-GARJFASQSA-N 1 3 184.327 1.430 10 0 ADAEHO CCC[C@@H](C)[C@H]([NH3+])CCN(C)C 300344847 572126157 /nfs/dbraw/zinc/12/61/57/572126157.db2.gz SKHLPZLSCIQWRX-NXEZZACHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)C[C@@H]1C[C@H]1C 69627283 572126333 /nfs/dbraw/zinc/12/63/33/572126333.db2.gz NFWJNYMKCJYRQR-AXFHLTTASA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)C[C@@H]1C[C@H]1C 69627283 572126336 /nfs/dbraw/zinc/12/63/36/572126336.db2.gz NFWJNYMKCJYRQR-AXFHLTTASA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)C[C@@H]1C[C@H]1C 69627283 572126337 /nfs/dbraw/zinc/12/63/37/572126337.db2.gz NFWJNYMKCJYRQR-AXFHLTTASA-N 1 3 184.327 1.430 10 0 ADAEHO CC(C)([NH3+])CCCNCc1ccco1 69634590 572126379 /nfs/dbraw/zinc/12/63/79/572126379.db2.gz YQKIZQHUFJNTPG-UHFFFAOYSA-N 1 3 196.294 1.887 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)C[C@@H]1C[C@@H]1C 69627287 572126766 /nfs/dbraw/zinc/12/67/66/572126766.db2.gz NFWJNYMKCJYRQR-DCAQKATOSA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 69627287 572126769 /nfs/dbraw/zinc/12/67/69/572126769.db2.gz NFWJNYMKCJYRQR-DCAQKATOSA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 69627287 572126773 /nfs/dbraw/zinc/12/67/73/572126773.db2.gz NFWJNYMKCJYRQR-DCAQKATOSA-N 1 3 184.327 1.430 10 0 ADAEHO CCNC[C@@H](C)C[N@H+](CC)CC1CC1 69630386 572126848 /nfs/dbraw/zinc/12/68/48/572126848.db2.gz CJHPMFCVSGOIPA-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+](CC)CC1CC1 69630386 572126850 /nfs/dbraw/zinc/12/68/50/572126850.db2.gz CJHPMFCVSGOIPA-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN(CC)CC1CC1 69630386 572126852 /nfs/dbraw/zinc/12/68/52/572126852.db2.gz CJHPMFCVSGOIPA-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1CC([NH2+]CCCN)C[C@H](C)C1 82830192 572129421 /nfs/dbraw/zinc/12/94/21/572129421.db2.gz ABBRAEQLSBAMCO-ZACCUICWSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCCN[C@H]1CCC[NH2+]C1 43323976 572130559 /nfs/dbraw/zinc/13/05/59/572130559.db2.gz UUBRATADBZZTPW-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO C[C@@H](CC1CC1)[N@@H+]1CC[C@H](CN)C1 69666657 572130716 /nfs/dbraw/zinc/13/07/16/572130716.db2.gz ASQYPRXJYJFCST-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](CC1CC1)[N@H+]1CC[C@H](CN)C1 69666657 572130730 /nfs/dbraw/zinc/13/07/30/572130730.db2.gz ASQYPRXJYJFCST-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH2+]C1CCN([C@H](C)CC2CC2)CC1 69666542 572130840 /nfs/dbraw/zinc/13/08/40/572130840.db2.gz NLLZQQZVMYLBIW-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1CC[NH+]([C@H](C)CC2CC2)CC1 69666542 572130844 /nfs/dbraw/zinc/13/08/44/572130844.db2.gz NLLZQQZVMYLBIW-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1CN(C)C 82832487 572130897 /nfs/dbraw/zinc/13/08/97/572130897.db2.gz IICMGKAOFSFFED-WHOHXGKFSA-N 1 3 198.354 1.818 10 0 ADAEHO CC[C@@H](CC1CC1)[NH+]1CCC(N)CC1 69666607 572130916 /nfs/dbraw/zinc/13/09/16/572130916.db2.gz NQAJLASXKZRDID-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO CCc1ccc(C(CN)C[NH3+])cc1 71497607 572130924 /nfs/dbraw/zinc/13/09/24/572130924.db2.gz ZILXYDJUBYBGMW-UHFFFAOYSA-N 1 3 178.279 1.250 10 0 ADAEHO CC[C@@H](CC1CC1)[N@@H+]1CC[C@H](CN)C1 69666673 572131020 /nfs/dbraw/zinc/13/10/20/572131020.db2.gz AYYCDSURALLCHO-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](CC1CC1)[N@H+]1CC[C@H](CN)C1 69666673 572131022 /nfs/dbraw/zinc/13/10/22/572131022.db2.gz AYYCDSURALLCHO-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CC1CC1)[NH2+]C1CCNCC1 69671464 572131053 /nfs/dbraw/zinc/13/10/53/572131053.db2.gz SHISLNMPGFWGIO-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+]C1CCN([C@@H](C)CC2CC2)CC1 69666537 572131226 /nfs/dbraw/zinc/13/12/26/572131226.db2.gz NLLZQQZVMYLBIW-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1CC[NH+]([C@@H](C)CC2CC2)CC1 69666537 572131229 /nfs/dbraw/zinc/13/12/29/572131229.db2.gz NLLZQQZVMYLBIW-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@H](C)CC2CC2)C1 69666630 572131287 /nfs/dbraw/zinc/13/12/87/572131287.db2.gz SFRWFHGUDAVIAE-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 69666630 572131291 /nfs/dbraw/zinc/13/12/91/572131291.db2.gz SFRWFHGUDAVIAE-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CC1CC1)[N@@H+]1CC[C@H](CN)C1 69666677 572131356 /nfs/dbraw/zinc/13/13/56/572131356.db2.gz AYYCDSURALLCHO-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CC1CC1)[N@H+]1CC[C@H](CN)C1 69666677 572131358 /nfs/dbraw/zinc/13/13/58/572131358.db2.gz AYYCDSURALLCHO-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](CC1CC1)[N@@H+]1CC[C@@H](N)C[C@@H]1C 69666530 572132053 /nfs/dbraw/zinc/13/20/53/572132053.db2.gz CILMSLBSDMOQQZ-JBLDHEPKSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](N)C[C@@H]1C 69666530 572132055 /nfs/dbraw/zinc/13/20/55/572132055.db2.gz CILMSLBSDMOQQZ-JBLDHEPKSA-N 1 3 196.338 1.987 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 69666627 572132153 /nfs/dbraw/zinc/13/21/53/572132153.db2.gz SFRWFHGUDAVIAE-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 69666627 572132149 /nfs/dbraw/zinc/13/21/49/572132149.db2.gz SFRWFHGUDAVIAE-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CC1CC1)[NH+]1CCC(N)CC1 69666609 572132499 /nfs/dbraw/zinc/13/24/99/572132499.db2.gz NQAJLASXKZRDID-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](CC1CC1)[NH2+]C1CCNCC1 69671461 572132503 /nfs/dbraw/zinc/13/25/03/572132503.db2.gz SHISLNMPGFWGIO-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](CC1CC1)[N@@H+]1CC[C@H](CN)C1 69666659 572132688 /nfs/dbraw/zinc/13/26/88/572132688.db2.gz ASQYPRXJYJFCST-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](CC1CC1)[N@H+]1CC[C@H](CN)C1 69666659 572132690 /nfs/dbraw/zinc/13/26/90/572132690.db2.gz ASQYPRXJYJFCST-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@](N)(C[NH3+])C[C@@H]1C 82837918 572132816 /nfs/dbraw/zinc/13/28/16/572132816.db2.gz FXZUJSBSNLCVFD-XHNCKOQMSA-N 1 3 156.273 1.099 10 0 ADAEHO CNCC[C@@H]1CCCC[N@H+]1C(C)C 69730860 572135444 /nfs/dbraw/zinc/13/54/44/572135444.db2.gz CUMGWFFWDXHFFJ-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]CCCN)C[C@@H]1C 82836875 572133739 /nfs/dbraw/zinc/13/37/39/572133739.db2.gz YTCRKFKJGHCZCY-DCAQKATOSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](CCC2(N)CC2)C1 398027429 572134425 /nfs/dbraw/zinc/13/44/25/572134425.db2.gz HXDOLQBDQGMUIL-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](CCC2(N)CC2)C1 398027429 572134427 /nfs/dbraw/zinc/13/44/27/572134427.db2.gz HXDOLQBDQGMUIL-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]CCCN)C[C@@H]1C 82836877 572134517 /nfs/dbraw/zinc/13/45/17/572134517.db2.gz YTCRKFKJGHCZCY-GARJFASQSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1CC[C@@](N)(C[NH3+])C[C@@H]1C 82837922 572134579 /nfs/dbraw/zinc/13/45/79/572134579.db2.gz FXZUJSBSNLCVFD-CIUDSAMLSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](CCC2(N)CC2)C1 398027430 572134616 /nfs/dbraw/zinc/13/46/16/572134616.db2.gz HXDOLQBDQGMUIL-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](CCC2(N)CC2)C1 398027430 572134617 /nfs/dbraw/zinc/13/46/17/572134617.db2.gz HXDOLQBDQGMUIL-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CNCC[C@@H]1CCCC[N@@H+]1C(C)C 69730860 572135441 /nfs/dbraw/zinc/13/54/41/572135441.db2.gz CUMGWFFWDXHFFJ-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO CCN1CCCC[C@@H]1CC[NH2+]C 69730746 572135494 /nfs/dbraw/zinc/13/54/94/572135494.db2.gz QRSHOMHREDRULB-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H]1CCNC 69730746 572135496 /nfs/dbraw/zinc/13/54/96/572135496.db2.gz QRSHOMHREDRULB-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+]1CCCC[C@@H]1CCNC 69730829 572135745 /nfs/dbraw/zinc/13/57/45/572135745.db2.gz YECQKQPYHBIJFK-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[N@H+]1CCCC[C@@H]1CCNC 69730746 572135498 /nfs/dbraw/zinc/13/54/98/572135498.db2.gz QRSHOMHREDRULB-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@@H+]1CCCC[C@@H]1CCNC 69730829 572135742 /nfs/dbraw/zinc/13/57/42/572135742.db2.gz YECQKQPYHBIJFK-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 69724490 572135909 /nfs/dbraw/zinc/13/59/09/572135909.db2.gz MAWAHMCLJCMQKQ-SCVCMEIPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@H]([C@@H](C)N)C1 69724490 572135912 /nfs/dbraw/zinc/13/59/12/572135912.db2.gz MAWAHMCLJCMQKQ-SCVCMEIPSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCC1([NH3+])CC1 300377042 572135939 /nfs/dbraw/zinc/13/59/39/572135939.db2.gz FHIVZZYXKYKGJB-BDAKNGLRSA-N 1 3 168.284 1.256 10 0 ADAEHO C/C=C/CN1CCCC[C@H]1CC[NH3+] 69721185 572135949 /nfs/dbraw/zinc/13/59/49/572135949.db2.gz LNQIDXNSOLFTNO-VUDBWIFFSA-N 1 3 182.311 1.766 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])CC 300378116 572136138 /nfs/dbraw/zinc/13/61/38/572136138.db2.gz GERHUZHCTSAOJU-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]([NH3+])CC 300378114 572136661 /nfs/dbraw/zinc/13/66/61/572136661.db2.gz GERHUZHCTSAOJU-BBBLOLIVSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[N@@H+]1CCCC[C@H]1CCNC 69730832 572136741 /nfs/dbraw/zinc/13/67/41/572136741.db2.gz YECQKQPYHBIJFK-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@H+]1CCCC[C@H]1CCNC 69730832 572136744 /nfs/dbraw/zinc/13/67/44/572136744.db2.gz YECQKQPYHBIJFK-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C/C=C/CN1CCCC[C@@H]1CC[NH3+] 69721182 572137227 /nfs/dbraw/zinc/13/72/27/572137227.db2.gz LNQIDXNSOLFTNO-KXMPLOMGSA-N 1 3 182.311 1.766 10 0 ADAEHO CNCC[C@H]1CCCC[N@@H+]1C(C)C 69730859 572137240 /nfs/dbraw/zinc/13/72/40/572137240.db2.gz CUMGWFFWDXHFFJ-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CNCC[C@H]1CCCC[N@H+]1C(C)C 69730859 572137244 /nfs/dbraw/zinc/13/72/44/572137244.db2.gz CUMGWFFWDXHFFJ-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]CC1(CN)CC1 300378721 572137438 /nfs/dbraw/zinc/13/74/38/572137438.db2.gz GXADRNJIBZNIOP-ZJUUUORDSA-N 1 3 182.311 1.504 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCC1(C[NH3+])CC1 300378721 572137445 /nfs/dbraw/zinc/13/74/45/572137445.db2.gz GXADRNJIBZNIOP-ZJUUUORDSA-N 1 3 182.311 1.504 10 0 ADAEHO CNC[C@@H](C)C[NH2+]CC1(C)CCC1 300378197 572137463 /nfs/dbraw/zinc/13/74/63/572137463.db2.gz GPVMNHHEPIHMAJ-SNVBAGLBSA-N 1 3 184.327 1.622 10 0 ADAEHO [NH3+]CCCCCNCc1nccs1 69734616 572138754 /nfs/dbraw/zinc/13/87/54/572138754.db2.gz SBDDKTYEJJLGMK-UHFFFAOYSA-N 1 3 199.323 1.362 10 0 ADAEHO CCN1CCCC[C@H]1CC[NH2+]C 69730748 572137717 /nfs/dbraw/zinc/13/77/17/572137717.db2.gz QRSHOMHREDRULB-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[N@@H+]1CCCC[C@H]1CCNC 69730748 572137720 /nfs/dbraw/zinc/13/77/20/572137720.db2.gz QRSHOMHREDRULB-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[N@H+]1CCCC[C@H]1CCNC 69730748 572137724 /nfs/dbraw/zinc/13/77/24/572137724.db2.gz QRSHOMHREDRULB-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]CCCNC1CC1 300377013 572137767 /nfs/dbraw/zinc/13/77/67/572137767.db2.gz FFAGWZVGXAHFKE-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCCC[NH2+]C1CC1 300377013 572137771 /nfs/dbraw/zinc/13/77/71/572137771.db2.gz FFAGWZVGXAHFKE-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1[C@@H](C)C1CC1 69727546 572137805 /nfs/dbraw/zinc/13/78/05/572137805.db2.gz QXTQZKFOVPPHPZ-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1[C@@H](C)C1CC1 69727546 572137807 /nfs/dbraw/zinc/13/78/07/572137807.db2.gz QXTQZKFOVPPHPZ-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@H]([NH3+])CC 300378115 572138339 /nfs/dbraw/zinc/13/83/39/572138339.db2.gz GERHUZHCTSAOJU-OPRDCNLKSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@H]1CN(C)CCCN1C(C)=[NH2+] 234062405 572138640 /nfs/dbraw/zinc/13/86/40/572138640.db2.gz CDKLMKCEJFPNEJ-JTQLQIEISA-N 1 3 183.299 1.400 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@](C)([NH3+])CC 300379363 572138661 /nfs/dbraw/zinc/13/86/61/572138661.db2.gz HFGTVMWSLXYXFW-OUAUKWLOSA-N 1 3 184.327 1.892 10 0 ADAEHO [NH3+]CCCCCNCc1ccco1 69734563 572139360 /nfs/dbraw/zinc/13/93/60/572139360.db2.gz NNIYTNVFIJESLT-UHFFFAOYSA-N 1 3 182.267 1.498 10 0 ADAEHO Cc1ccc(CNCCCCC[NH3+])o1 69734682 572139718 /nfs/dbraw/zinc/13/97/18/572139718.db2.gz SEFPSPWYCZAMQK-UHFFFAOYSA-N 1 3 196.294 1.807 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@](C)([NH3+])CC 300379364 572139767 /nfs/dbraw/zinc/13/97/67/572139767.db2.gz HFGTVMWSLXYXFW-VWYCJHECSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@](C)([NH3+])CC 300379362 572140186 /nfs/dbraw/zinc/14/01/86/572140186.db2.gz HFGTVMWSLXYXFW-GMTAPVOTSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H](C)C[NH3+] 300373522 572141499 /nfs/dbraw/zinc/14/14/99/572141499.db2.gz AOCILMLAJDMTEI-HLTSFMKQSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@H]1CC[NH2+]C1 300374002 572141428 /nfs/dbraw/zinc/14/14/28/572141428.db2.gz BERIJFLGTNXCSH-HBNTYKKESA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCC[C@H]1CCC[NH2+]1 300373884 572141561 /nfs/dbraw/zinc/14/15/61/572141561.db2.gz AXQNEQRQGFZMQH-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[NH2+]C[C@H](C)CN[C@@H]1C[C@H]1CC 300373079 572141831 /nfs/dbraw/zinc/14/18/31/572141831.db2.gz AAAQINXQSZVESJ-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@]1(C)CC[NH2+]C1 300374584 572141697 /nfs/dbraw/zinc/14/16/97/572141697.db2.gz BWSOPMRFONMSOY-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](CN)C(C)C 300375795 572141874 /nfs/dbraw/zinc/14/18/74/572141874.db2.gz DIGFFXSAFPVSJC-UTUOFQBUSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[C@](C)([NH3+])CN[C@H]1C[C@H]1CC 300373850 572141951 /nfs/dbraw/zinc/14/19/51/572141951.db2.gz AVNQVSCMNSLGJK-VWYCJHECSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H](C)C[NH2+]C 300373862 572142075 /nfs/dbraw/zinc/14/20/75/572142075.db2.gz AWGSFHZZPBZMNX-AXFHLTTASA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CNC 300373862 572142080 /nfs/dbraw/zinc/14/20/80/572142080.db2.gz AWGSFHZZPBZMNX-AXFHLTTASA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@]1(C)CC[NH2+]C1 300374588 572142104 /nfs/dbraw/zinc/14/21/04/572142104.db2.gz BWSOPMRFONMSOY-WOPDTQHZSA-N 1 3 196.338 1.764 10 0 ADAEHO CNC[C@@H](C)C[NH2+]CC1(C2CC2)CC1 300373597 572142137 /nfs/dbraw/zinc/14/21/37/572142137.db2.gz NTHJBFZIUSQMDC-SNVBAGLBSA-N 1 3 196.338 1.622 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H](C)C[NH2+]C 300373865 572142217 /nfs/dbraw/zinc/14/22/17/572142217.db2.gz AWGSFHZZPBZMNX-MXWKQRLJSA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)CNC 300373865 572142220 /nfs/dbraw/zinc/14/22/20/572142220.db2.gz AWGSFHZZPBZMNX-MXWKQRLJSA-N 1 3 184.327 1.620 10 0 ADAEHO CCOc1cccc(C(CN)C[NH3+])c1 71506798 572142350 /nfs/dbraw/zinc/14/23/50/572142350.db2.gz PYQVJZKYPJDWTH-UHFFFAOYSA-N 1 3 194.278 1.086 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@H](C)C[NH2+]C 300376237 572142355 /nfs/dbraw/zinc/14/23/55/572142355.db2.gz DOEZZTJGESPQIT-OPRDCNLKSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CNC 300376237 572142357 /nfs/dbraw/zinc/14/23/57/572142357.db2.gz DOEZZTJGESPQIT-OPRDCNLKSA-N 1 3 170.300 1.230 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@@H](C)N 300375735 572142419 /nfs/dbraw/zinc/14/24/19/572142419.db2.gz DBAHIGLBCPWAAT-DBIOUOCHSA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H](C)[C@@H](C)[NH3+] 300375735 572142420 /nfs/dbraw/zinc/14/24/20/572142420.db2.gz DBAHIGLBCPWAAT-DBIOUOCHSA-N 1 3 184.327 1.748 10 0 ADAEHO CSCC[C@H](CN)[N@H+](C)C1CC1 37472140 572142447 /nfs/dbraw/zinc/14/24/47/572142447.db2.gz JXJWQOISVSJIGE-SECBINFHSA-N 1 3 188.340 1.161 10 0 ADAEHO CCOc1ccccc1C(CN)C[NH3+] 71506797 572142448 /nfs/dbraw/zinc/14/24/48/572142448.db2.gz CSZFYCIBMYLLNN-UHFFFAOYSA-N 1 3 194.278 1.086 10 0 ADAEHO CSCC[C@H](CN)[N@@H+](C)C1CC1 37472140 572142450 /nfs/dbraw/zinc/14/24/50/572142450.db2.gz JXJWQOISVSJIGE-SECBINFHSA-N 1 3 188.340 1.161 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@]1(C)CC[NH2+]C1 300374586 572142637 /nfs/dbraw/zinc/14/26/37/572142637.db2.gz BWSOPMRFONMSOY-IJLUTSLNSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@H]1NCC[C@H]1CCC[NH2+]1 300373124 572142775 /nfs/dbraw/zinc/14/27/75/572142775.db2.gz AFSZKRRXYRABQI-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@H](C)N 300375736 572142972 /nfs/dbraw/zinc/14/29/72/572142972.db2.gz DBAHIGLBCPWAAT-MMWGEVLESA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H](C)[C@H](C)[NH3+] 300375736 572142974 /nfs/dbraw/zinc/14/29/74/572142974.db2.gz DBAHIGLBCPWAAT-MMWGEVLESA-N 1 3 184.327 1.748 10 0 ADAEHO CSCC[C@@H](CN)[N@@H+](C)C1CC1 37472139 572143022 /nfs/dbraw/zinc/14/30/22/572143022.db2.gz JXJWQOISVSJIGE-VIFPVBQESA-N 1 3 188.340 1.161 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+]C1 300374003 572143040 /nfs/dbraw/zinc/14/30/40/572143040.db2.gz BERIJFLGTNXCSH-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CNC 300373864 572143135 /nfs/dbraw/zinc/14/31/35/572143135.db2.gz AWGSFHZZPBZMNX-GMTAPVOTSA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@H](C)C[NH2+]C 300373864 572143130 /nfs/dbraw/zinc/14/31/30/572143130.db2.gz AWGSFHZZPBZMNX-GMTAPVOTSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]C[C@H](C)CN[C@H]1C[C@H]1CC 300373078 572143181 /nfs/dbraw/zinc/14/31/81/572143181.db2.gz AAAQINXQSZVESJ-AXFHLTTASA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@H]1C[C@H]1NCC[C@H]1CCC[NH2+]1 300373883 572143271 /nfs/dbraw/zinc/14/32/71/572143271.db2.gz AXQNEQRQGFZMQH-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCC1([NH3+])CCC1 300375040 572143304 /nfs/dbraw/zinc/14/33/04/572143304.db2.gz CNFJTJKARVFBJL-BDAKNGLRSA-N 1 3 168.284 1.256 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCC[C@@H]1CCC[NH2+]1 300373887 572143386 /nfs/dbraw/zinc/14/33/86/572143386.db2.gz AXQNEQRQGFZMQH-VWYCJHECSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](CN)C(C)C 300375793 572143658 /nfs/dbraw/zinc/14/36/58/572143658.db2.gz DIGFFXSAFPVSJC-GRYCIOLGSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCC[C@H]1CCC[NH2+]1 300373125 572143676 /nfs/dbraw/zinc/14/36/76/572143676.db2.gz AFSZKRRXYRABQI-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN 300374179 572143698 /nfs/dbraw/zinc/14/36/98/572143698.db2.gz BKTJMRRFSIAVDQ-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@H]1N[C@H](C)C[NH3+] 300373523 572143945 /nfs/dbraw/zinc/14/39/45/572143945.db2.gz AOCILMLAJDMTEI-IWSPIJDZSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])C(C)C 300382007 572144279 /nfs/dbraw/zinc/14/42/79/572144279.db2.gz KCRAQAXLRXSVHE-MXWKQRLJSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(CC)CN 300381179 572144319 /nfs/dbraw/zinc/14/43/19/572144319.db2.gz JAWRAMYSCAFGJO-OUAUKWLOSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@H](C)N(C)C[C@H](C[NH3+])OC 300379688 572144328 /nfs/dbraw/zinc/14/43/28/572144328.db2.gz ZEFXWBJCGZCQMO-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](CN)CC(C)C 300379840 572144332 /nfs/dbraw/zinc/14/43/32/572144332.db2.gz HPVWFAONWGIONE-UTUOFQBUSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[C@@H]1N 300380699 572144337 /nfs/dbraw/zinc/14/43/37/572144337.db2.gz ISAFCKUQTRRZEA-NOOOWODRSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCC([NH3+])(CC)CC 300376321 572144446 /nfs/dbraw/zinc/14/44/46/572144446.db2.gz DRQLSKQBTPJGPL-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H](C)[NH3+] 300380311 572144518 /nfs/dbraw/zinc/14/45/18/572144518.db2.gz IKQCXLMUPCINNU-HLTSFMKQSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[C@@H]1N 300380700 572144577 /nfs/dbraw/zinc/14/45/77/572144577.db2.gz ISAFCKUQTRRZEA-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCC[C@H]1N 300380701 572144644 /nfs/dbraw/zinc/14/46/44/572144644.db2.gz ISAFCKUQTRRZEA-WRWGMCAJSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@](C)(CC)CN 300381178 572144680 /nfs/dbraw/zinc/14/46/80/572144680.db2.gz JAWRAMYSCAFGJO-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@](C)([NH3+])C1CC1 300382479 572144781 /nfs/dbraw/zinc/14/47/81/572144781.db2.gz KLURDKKASKVDFJ-USWWRNFRSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C 300379835 572144808 /nfs/dbraw/zinc/14/48/08/572144808.db2.gz HPSFTQPJOHOKGN-WYUUTHIRSA-N 1 3 196.338 1.620 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N1CC[C@H](C[NH2+]C)C1 300381613 572144926 /nfs/dbraw/zinc/14/49/26/572144926.db2.gz JQPWZXRXESSNPS-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1C[C@H]1CC 300381967 572145012 /nfs/dbraw/zinc/14/50/12/572145012.db2.gz JYFGFVKRVSPKET-BBBLOLIVSA-N 1 3 170.300 1.359 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@](C)([NH3+])C1CC1 300382476 572145020 /nfs/dbraw/zinc/14/50/20/572145020.db2.gz KLURDKKASKVDFJ-ADEWGFFLSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1C 300379834 572145051 /nfs/dbraw/zinc/14/50/51/572145051.db2.gz HPSFTQPJOHOKGN-USZNOCQGSA-N 1 3 196.338 1.620 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]([NH3+])C(C)C 300382009 572145057 /nfs/dbraw/zinc/14/50/57/572145057.db2.gz KCRAQAXLRXSVHE-VWYCJHECSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](CN)C(C)C 300381194 572145194 /nfs/dbraw/zinc/14/51/94/572145194.db2.gz JCDILPUEAPGSTM-MXWKQRLJSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCCCN1 300381171 572145207 /nfs/dbraw/zinc/14/52/07/572145207.db2.gz JAHZBAJTLASZKS-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@H](CN)CC(C)C 300379838 572145218 /nfs/dbraw/zinc/14/52/18/572145218.db2.gz HPVWFAONWGIONE-QJPTWQEYSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCCC[NH2+]C(C)C 300376810 572145229 /nfs/dbraw/zinc/14/52/29/572145229.db2.gz FEKGPCZFBNCEOV-MNOVXSKESA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H](C)[NH3+] 300380312 572145291 /nfs/dbraw/zinc/14/52/91/572145291.db2.gz IKQCXLMUPCINNU-YIZRAAEISA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@H](C)[NH3+] 300380310 572145323 /nfs/dbraw/zinc/14/53/23/572145323.db2.gz IKQCXLMUPCINNU-DJLDLDEBSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCC1([NH3+])CCCC1 300381608 572145377 /nfs/dbraw/zinc/14/53/77/572145377.db2.gz JPSWHHYGDKWXPZ-ZJUUUORDSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCCCN1 300381170 572145433 /nfs/dbraw/zinc/14/54/33/572145433.db2.gz JAHZBAJTLASZKS-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1C[C@@H]1N[C@@H](C)C[C@H]1CCC[NH2+]1 300381986 572145441 /nfs/dbraw/zinc/14/54/41/572145441.db2.gz JYVIDZQRFLVSDZ-QCNOEVLYSA-N 1 3 196.338 1.905 10 0 ADAEHO CCC[C@H](C)N(C)C[C@H](C[NH3+])OC 300379687 572145522 /nfs/dbraw/zinc/14/55/22/572145522.db2.gz ZEFXWBJCGZCQMO-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@H]([NH3+])C(C)C 300382008 572145708 /nfs/dbraw/zinc/14/57/08/572145708.db2.gz KCRAQAXLRXSVHE-OUAUKWLOSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(CC)CN 300381180 572145741 /nfs/dbraw/zinc/14/57/41/572145741.db2.gz JAWRAMYSCAFGJO-VWYCJHECSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCCNC1 300376342 572145829 /nfs/dbraw/zinc/14/58/29/572145829.db2.gz DULMGMSIMCHFJW-IJLUTSLNSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@]1(C)CCC[NH2+]C1 300376342 572145831 /nfs/dbraw/zinc/14/58/31/572145831.db2.gz DULMGMSIMCHFJW-IJLUTSLNSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1C[C@H]1CC 300381968 572146150 /nfs/dbraw/zinc/14/61/50/572146150.db2.gz JYFGFVKRVSPKET-OPRDCNLKSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H]1C[C@@H]1N[C@H](C)C[C@@H]1CCC[NH2+]1 300381987 572146054 /nfs/dbraw/zinc/14/60/54/572146054.db2.gz JYVIDZQRFLVSDZ-WYUUTHIRSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCCN1 300381172 572146315 /nfs/dbraw/zinc/14/63/15/572146315.db2.gz JAHZBAJTLASZKS-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCC[C@H]1N 300380698 572146347 /nfs/dbraw/zinc/14/63/47/572146347.db2.gz ISAFCKUQTRRZEA-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1C[NH2+]C[C@H]1C 300379832 572146349 /nfs/dbraw/zinc/14/63/49/572146349.db2.gz HPSFTQPJOHOKGN-KKOKHZNYSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H]1C[C@@H]1N[C@H](C)C[C@H]1CCC[NH2+]1 300381985 572146358 /nfs/dbraw/zinc/14/63/58/572146358.db2.gz JYVIDZQRFLVSDZ-KKOKHZNYSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCCNC1 300376340 572146374 /nfs/dbraw/zinc/14/63/74/572146374.db2.gz DULMGMSIMCHFJW-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 300376340 572146375 /nfs/dbraw/zinc/14/63/75/572146375.db2.gz DULMGMSIMCHFJW-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC1CC([NH3+])C1 300376284 572146378 /nfs/dbraw/zinc/14/63/78/572146378.db2.gz DQJBEHXCODOZDU-WOOKNIGNSA-N 1 3 168.284 1.254 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C1CC(N)C1 300376284 572146379 /nfs/dbraw/zinc/14/63/79/572146379.db2.gz DQJBEHXCODOZDU-WOOKNIGNSA-N 1 3 168.284 1.254 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H](CN)C(C)C 300381196 572146411 /nfs/dbraw/zinc/14/64/11/572146411.db2.gz JCDILPUEAPGSTM-VWYCJHECSA-N 1 3 184.327 1.605 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCC(C)(C)[NH3+] 300380632 572146434 /nfs/dbraw/zinc/14/64/34/572146434.db2.gz IMVKWERWMURFKV-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@@H]1C[C@H]1N1CC[C@H](C[NH2+]C)C1 300381612 572146439 /nfs/dbraw/zinc/14/64/39/572146439.db2.gz JQPWZXRXESSNPS-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1C[NH2+]C[C@@H]1C 300379833 572146526 /nfs/dbraw/zinc/14/65/26/572146526.db2.gz HPSFTQPJOHOKGN-QCNOEVLYSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 300376344 572146722 /nfs/dbraw/zinc/14/67/22/572146722.db2.gz DULMGMSIMCHFJW-WOPDTQHZSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 300376344 572146726 /nfs/dbraw/zinc/14/67/26/572146726.db2.gz DULMGMSIMCHFJW-WOPDTQHZSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH2+][C@H](C)CCN[C@@H]1C[C@H]1CC 300385115 572148528 /nfs/dbraw/zinc/14/85/28/572148528.db2.gz NDZDNGVKIOQREE-GMTAPVOTSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@H](CN)C(C)C 300381195 572146905 /nfs/dbraw/zinc/14/69/05/572146905.db2.gz JCDILPUEAPGSTM-OUAUKWLOSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+][C@@H]1C 300383639 572149210 /nfs/dbraw/zinc/14/92/10/572149210.db2.gz LMISGWAJGOJMIK-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@H](C)N 300384499 572147562 /nfs/dbraw/zinc/14/75/62/572147562.db2.gz MKYGDYCSGDGTAO-RGOKHQFPSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H](C)[C@H](C)[NH3+] 300384499 572147564 /nfs/dbraw/zinc/14/75/64/572147564.db2.gz MKYGDYCSGDGTAO-RGOKHQFPSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@H](C)N 300384498 572147837 /nfs/dbraw/zinc/14/78/37/572147837.db2.gz MKYGDYCSGDGTAO-QEYWKRMJSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H](C)[C@H](C)[NH3+] 300384498 572147839 /nfs/dbraw/zinc/14/78/39/572147839.db2.gz MKYGDYCSGDGTAO-QEYWKRMJSA-N 1 3 170.300 1.358 10 0 ADAEHO CS[C@@H]1CCC[C@@H]1N[C@H](C)C[NH3+] 300383036 572149229 /nfs/dbraw/zinc/14/92/29/572149229.db2.gz HDKAVKITHPSVFL-HRDYMLBCSA-N 1 3 188.340 1.207 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@@H](C)N 300384496 572148022 /nfs/dbraw/zinc/14/80/22/572148022.db2.gz MKYGDYCSGDGTAO-JLIMGVALSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H](C)[C@@H](C)[NH3+] 300384496 572148024 /nfs/dbraw/zinc/14/80/24/572148024.db2.gz MKYGDYCSGDGTAO-JLIMGVALSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@H]([NH3+])CCCN(C)Cc1ccoc1 69840797 572148098 /nfs/dbraw/zinc/14/80/98/572148098.db2.gz QBLYNVSYFLKGOV-JTQLQIEISA-N 1 3 196.294 1.839 10 0 ADAEHO C[C@H]([NH3+])CCCNCc1nccs1 69840850 572149245 /nfs/dbraw/zinc/14/92/45/572149245.db2.gz XIFLNEIVYCAWPE-QMMMGPOBSA-N 1 3 199.323 1.360 10 0 ADAEHO C[C@@H]([NH3+])CCCN(C)Cc1ccco1 69840665 572148158 /nfs/dbraw/zinc/14/81/58/572148158.db2.gz MFDAMZPBRDEPPU-SNVBAGLBSA-N 1 3 196.294 1.839 10 0 ADAEHO C[C@H]([NH3+])CCCN(C)Cc1ccco1 69840664 572148235 /nfs/dbraw/zinc/14/82/35/572148235.db2.gz MFDAMZPBRDEPPU-JTQLQIEISA-N 1 3 196.294 1.839 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CC1(CN)CCCC1 300383282 572148288 /nfs/dbraw/zinc/14/82/88/572148288.db2.gz LDPAOSBKFGSDIL-MNOVXSKESA-N 1 3 196.338 1.894 10 0 ADAEHO Cc1ccc(CNCCC[C@@H](C)[NH3+])o1 69840989 572148304 /nfs/dbraw/zinc/14/83/04/572148304.db2.gz IVJGJXBXPQQCSY-SECBINFHSA-N 1 3 196.294 1.805 10 0 ADAEHO C[C@H]([NH3+])CCCN1CCSCC1 69840640 572148374 /nfs/dbraw/zinc/14/83/74/572148374.db2.gz XSCJQBSOBDSPQM-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CC[NH2+][C@@H]1C 300383635 572148398 /nfs/dbraw/zinc/14/83/98/572148398.db2.gz LMISGWAJGOJMIK-DBIOUOCHSA-N 1 3 182.311 1.373 10 0 ADAEHO CS[C@@H]1CCC[C@H]1N[C@H](C)C[NH3+] 300383037 572148538 /nfs/dbraw/zinc/14/85/38/572148538.db2.gz HDKAVKITHPSVFL-IWSPIJDZSA-N 1 3 188.340 1.207 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1(C2CC2)CC1 235154396 572148601 /nfs/dbraw/zinc/14/86/01/572148601.db2.gz GAVVJRCRVCIRCE-SECBINFHSA-N 1 3 182.311 1.504 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CCCN1CCCC1 300383750 572148999 /nfs/dbraw/zinc/14/89/99/572148999.db2.gz LTRSFAXOOKQUCD-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+][C@H](C)CCN[C@H]1C[C@H]1CC 300385116 572149027 /nfs/dbraw/zinc/14/90/27/572149027.db2.gz NDZDNGVKIOQREE-MXWKQRLJSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCCC[NH2+]CC 300383773 572149162 /nfs/dbraw/zinc/14/91/62/572149162.db2.gz LVGMAGDAJLERMT-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H]([NH3+])CCCN1CCSCC1 69840641 572149348 /nfs/dbraw/zinc/14/93/48/572149348.db2.gz XSCJQBSOBDSPQM-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@H]([NH3+])CCN(C)[C@@H]1CCSC1 37476753 572149349 /nfs/dbraw/zinc/14/93/49/572149349.db2.gz FMWRVFXMYMMSQT-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@@H](C)N 300384497 572149388 /nfs/dbraw/zinc/14/93/88/572149388.db2.gz MKYGDYCSGDGTAO-KYXWUPHJSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H](C)[C@@H](C)[NH3+] 300384497 572149391 /nfs/dbraw/zinc/14/93/91/572149391.db2.gz MKYGDYCSGDGTAO-KYXWUPHJSA-N 1 3 170.300 1.358 10 0 ADAEHO C[NH2+]CCCCN(C)Cc1ccco1 37477955 572149494 /nfs/dbraw/zinc/14/94/94/572149494.db2.gz LHOZGFZJIGSELJ-UHFFFAOYSA-N 1 3 196.294 1.711 10 0 ADAEHO Cc1ccc(CNCCC[C@H](C)[NH3+])o1 69840991 572149699 /nfs/dbraw/zinc/14/96/99/572149699.db2.gz IVJGJXBXPQQCSY-VIFPVBQESA-N 1 3 196.294 1.805 10 0 ADAEHO C[C@@H]([NH3+])CCCN(C)Cc1ccoc1 69840799 572149726 /nfs/dbraw/zinc/14/97/26/572149726.db2.gz QBLYNVSYFLKGOV-SNVBAGLBSA-N 1 3 196.294 1.839 10 0 ADAEHO C[C@@H]([NH3+])CCCNCc1ccco1 69840713 572149765 /nfs/dbraw/zinc/14/97/65/572149765.db2.gz QEMSSGNWEFWAHV-SECBINFHSA-N 1 3 182.267 1.497 10 0 ADAEHO C[C@H]([NH3+])CCCNCc1ccco1 69840711 572149818 /nfs/dbraw/zinc/14/98/18/572149818.db2.gz QEMSSGNWEFWAHV-VIFPVBQESA-N 1 3 182.267 1.497 10 0 ADAEHO CC[C@H](C)[N@H+](C)CCCNC1CC1 37478569 572150047 /nfs/dbraw/zinc/15/00/47/572150047.db2.gz CDZGALAHHUAULW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CCCNC1CC1 37478569 572150052 /nfs/dbraw/zinc/15/00/52/572150052.db2.gz CDZGALAHHUAULW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)N(C)CCC[NH2+]C1CC1 37478569 572150054 /nfs/dbraw/zinc/15/00/54/572150054.db2.gz CDZGALAHHUAULW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CCC[NH2+]C(C)C)C1CC1 37480287 572150077 /nfs/dbraw/zinc/15/00/77/572150077.db2.gz PTNPJRLXSGLJFG-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCNC1 300385823 572150173 /nfs/dbraw/zinc/15/01/73/572150173.db2.gz NZYVIOOVLJIRSE-HBNTYKKESA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@H]1CCC[NH2+]C1 300385823 572150176 /nfs/dbraw/zinc/15/01/76/572150176.db2.gz NZYVIOOVLJIRSE-HBNTYKKESA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]([NH3+])CCCNCc1nccs1 69840852 572150254 /nfs/dbraw/zinc/15/02/54/572150254.db2.gz XIFLNEIVYCAWPE-MRVPVSSYSA-N 1 3 199.323 1.360 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)CN 300387659 572150259 /nfs/dbraw/zinc/15/02/59/572150259.db2.gz PSFFWISRPHMRRB-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@@H]1CC1(C)C 235154617 572150301 /nfs/dbraw/zinc/15/03/01/572150301.db2.gz NCSYIOPBNUUMJK-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CCCC[N@H+](C)CC1(N)CCCC1 37479575 572150378 /nfs/dbraw/zinc/15/03/78/572150378.db2.gz NYOZQZHLYXQXAW-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCC[N@@H+](C)CC1(N)CCCC1 37479575 572150381 /nfs/dbraw/zinc/15/03/81/572150381.db2.gz NYOZQZHLYXQXAW-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CC[N@H+](CCCNC1CC1)C(C)C 37478550 572150469 /nfs/dbraw/zinc/15/04/69/572150469.db2.gz QIXJQOWCGSOQIE-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+](CCCNC1CC1)C(C)C 37478550 572150470 /nfs/dbraw/zinc/15/04/70/572150470.db2.gz QIXJQOWCGSOQIE-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CCC[NH2+]C1CC1)C(C)C 37478550 572150474 /nfs/dbraw/zinc/15/04/74/572150474.db2.gz QIXJQOWCGSOQIE-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CCNC1CCCC1 300388242 572150533 /nfs/dbraw/zinc/15/05/33/572150533.db2.gz QNNKERJYUAENJN-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@H]1[N@@H+]1CC[C@H](CN)C1 300387292 572150539 /nfs/dbraw/zinc/15/05/39/572150539.db2.gz PIUZQWIVRASIEM-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[C@@H]1C[C@H]1[N@H+]1CC[C@H](CN)C1 300387292 572150541 /nfs/dbraw/zinc/15/05/41/572150541.db2.gz PIUZQWIVRASIEM-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CC(C)=C1CNC1 300387636 572150672 /nfs/dbraw/zinc/15/06/72/572150672.db2.gz POGBLFFFVUWJJE-KOLCDFICSA-N 1 3 180.295 1.294 10 0 ADAEHO CC(C)C[N@H+](C)CCCNC1CC1 37478566 572150988 /nfs/dbraw/zinc/15/09/88/572150988.db2.gz HXUCIEWKWRMDLM-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@@H+](C)CCCNC1CC1 37478566 572150991 /nfs/dbraw/zinc/15/09/91/572150991.db2.gz HXUCIEWKWRMDLM-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CN(C)CCC[NH2+]C1CC1 37478566 572150994 /nfs/dbraw/zinc/15/09/94/572150994.db2.gz HXUCIEWKWRMDLM-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)CCCNC1CC1 37478618 572151107 /nfs/dbraw/zinc/15/11/07/572151107.db2.gz YMRRQQDCDRCICC-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)CCCNC1CC1 37478618 572151109 /nfs/dbraw/zinc/15/11/09/572151109.db2.gz YMRRQQDCDRCICC-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C1CC1)N(C)CCC[NH2+]C1CC1 37478618 572151111 /nfs/dbraw/zinc/15/11/11/572151111.db2.gz YMRRQQDCDRCICC-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)CCCNC1CC1 37478619 572151146 /nfs/dbraw/zinc/15/11/46/572151146.db2.gz YMRRQQDCDRCICC-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)CCCNC1CC1 37478619 572151150 /nfs/dbraw/zinc/15/11/50/572151150.db2.gz YMRRQQDCDRCICC-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C1CC1)N(C)CCC[NH2+]C1CC1 37478619 572151153 /nfs/dbraw/zinc/15/11/53/572151153.db2.gz YMRRQQDCDRCICC-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@](C)([NH3+])C1CC1 300387681 572151237 /nfs/dbraw/zinc/15/12/37/572151237.db2.gz PULIZIRGHXDJQK-MIMYLULJSA-N 1 3 182.311 1.502 10 0 ADAEHO CCCCN(C)CCC[NH2+]C1CC1 37478499 572151610 /nfs/dbraw/zinc/15/16/10/572151610.db2.gz CYFZGILEECNYBQ-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+](C)CCCNC1CC1 37478499 572151614 /nfs/dbraw/zinc/15/16/14/572151614.db2.gz CYFZGILEECNYBQ-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@@H+](C)CCCNC1CC1 37478499 572151618 /nfs/dbraw/zinc/15/16/18/572151618.db2.gz CYFZGILEECNYBQ-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCNC1 300385822 572151735 /nfs/dbraw/zinc/15/17/35/572151735.db2.gz NZYVIOOVLJIRSE-AXFHLTTASA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CCC[NH2+]C1 300385822 572151738 /nfs/dbraw/zinc/15/17/38/572151738.db2.gz NZYVIOOVLJIRSE-AXFHLTTASA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@H]1CC1(C)C 235154741 572151830 /nfs/dbraw/zinc/15/18/30/572151830.db2.gz NCSYIOPBNUUMJK-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCNC1 300385824 572151856 /nfs/dbraw/zinc/15/18/56/572151856.db2.gz NZYVIOOVLJIRSE-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CCC[NH2+]C1 300385824 572151859 /nfs/dbraw/zinc/15/18/59/572151859.db2.gz NZYVIOOVLJIRSE-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN([C@H]2C[C@H]2CC)C1 300387159 572151948 /nfs/dbraw/zinc/15/19/48/572151948.db2.gz PCMKNFOWULXNHB-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCN(C)CCC[NH2+]C(C)C 37480296 572152060 /nfs/dbraw/zinc/15/20/60/572152060.db2.gz ORFSUWAJSASVSX-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CCCNC1CC1 37478568 572152225 /nfs/dbraw/zinc/15/22/25/572152225.db2.gz CDZGALAHHUAULW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CCCNC1CC1 37478568 572152228 /nfs/dbraw/zinc/15/22/28/572152228.db2.gz CDZGALAHHUAULW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)N(C)CCC[NH2+]C1CC1 37478568 572152230 /nfs/dbraw/zinc/15/22/30/572152230.db2.gz CDZGALAHHUAULW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+][C@H]1C 300387286 572152242 /nfs/dbraw/zinc/15/22/42/572152242.db2.gz PHJQWHURGICWKJ-USZNOCQGSA-N 1 3 196.338 1.763 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+][C@@H]1C 300387287 572152444 /nfs/dbraw/zinc/15/24/44/572152444.db2.gz PHJQWHURGICWKJ-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CC1(CN)CC1 300386336 572152464 /nfs/dbraw/zinc/15/24/64/572152464.db2.gz OKWBDJFYXLNMBN-BDAKNGLRSA-N 1 3 168.284 1.113 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCC1(C[NH3+])CC1 300386336 572152467 /nfs/dbraw/zinc/15/24/67/572152467.db2.gz OKWBDJFYXLNMBN-BDAKNGLRSA-N 1 3 168.284 1.113 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@](C)([NH3+])C1CC1 300387679 572152532 /nfs/dbraw/zinc/15/25/32/572152532.db2.gz PULIZIRGHXDJQK-DVVUODLYSA-N 1 3 182.311 1.502 10 0 ADAEHO CCN(C)CCC[NH2+]C(C)C 37480286 572152648 /nfs/dbraw/zinc/15/26/48/572152648.db2.gz TWRBMEKNWMDREH-UHFFFAOYSA-N 1 3 158.289 1.326 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN([C@@H]2C[C@H]2CC)C1 300387156 572152673 /nfs/dbraw/zinc/15/26/73/572152673.db2.gz PCMKNFOWULXNHB-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1CC[NH2+][C@@H]1C 300387282 572152719 /nfs/dbraw/zinc/15/27/19/572152719.db2.gz PHJQWHURGICWKJ-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@](C)([NH3+])C1CC1 300387680 572152872 /nfs/dbraw/zinc/15/28/72/572152872.db2.gz PULIZIRGHXDJQK-IEBDPFPHSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN([C@H]2C[C@@H]2CC)C1 300387158 572152892 /nfs/dbraw/zinc/15/28/92/572152892.db2.gz PCMKNFOWULXNHB-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(CCC[NH2+]C1CC1)C1CC1 37478546 572152942 /nfs/dbraw/zinc/15/29/42/572152942.db2.gz ZGAQRZSZBDYACC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+](CCCNC1CC1)C1CC1 37478546 572152944 /nfs/dbraw/zinc/15/29/44/572152944.db2.gz ZGAQRZSZBDYACC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@@H+](CCCNC1CC1)C1CC1 37478546 572152945 /nfs/dbraw/zinc/15/29/45/572152945.db2.gz ZGAQRZSZBDYACC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[N@H+](C)CC1(N)CCCC1 37479606 572152960 /nfs/dbraw/zinc/15/29/60/572152960.db2.gz DPWUDURKBIVRQV-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[N@@H+](C)CC1(N)CCCC1 37479606 572152965 /nfs/dbraw/zinc/15/29/65/572152965.db2.gz DPWUDURKBIVRQV-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCCC[NH2+]C 300387149 572153192 /nfs/dbraw/zinc/15/31/92/572153192.db2.gz PBWRIYSGISZTNW-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1CC[NH2+][C@H]1C 300387285 572153257 /nfs/dbraw/zinc/15/32/57/572153257.db2.gz PHJQWHURGICWKJ-QCNOEVLYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]1C[C@@](C[NH3+])(NC2CC2)CCO1 69892514 572153410 /nfs/dbraw/zinc/15/34/10/572153410.db2.gz HWKVPFAXDAEESH-QWRGUYRKSA-N 1 3 198.310 1.025 10 0 ADAEHO CCC[C@](C)(N)C[N@H+](CC)C1CC1 37480921 572153572 /nfs/dbraw/zinc/15/35/72/572153572.db2.gz ZGKIVDZBHPSKGP-NSHDSACASA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@](C)(N)C[N@@H+](CC)C1CC1 37480921 572153576 /nfs/dbraw/zinc/15/35/76/572153576.db2.gz ZGKIVDZBHPSKGP-NSHDSACASA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CC(F)(F)F)NCC[C@@H](C)[NH3+] 235155438 572153639 /nfs/dbraw/zinc/15/36/39/572153639.db2.gz QFJRZJGAWZUOJZ-RQJHMYQMSA-N 1 3 198.232 1.654 10 0 ADAEHO CCC[C@](C)(N)C[NH+](CC)CC 37480785 572153683 /nfs/dbraw/zinc/15/36/83/572153683.db2.gz STJFLXYMXLMCHZ-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@H+](C)C[C@](C)(N)CCC 37480954 572153734 /nfs/dbraw/zinc/15/37/34/572153734.db2.gz JQGJOPHEERQVMA-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](C)C[C@](C)(N)CCC 37480954 572153737 /nfs/dbraw/zinc/15/37/37/572153737.db2.gz JQGJOPHEERQVMA-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO COC[C@@H](C)N(CCC[NH3+])C(C)C 69901810 572153856 /nfs/dbraw/zinc/15/38/56/572153856.db2.gz PEDCBOMJWAJRNC-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO COC[C@@H](C)[N@H+](CCCN)C(C)C 69901810 572153861 /nfs/dbraw/zinc/15/38/61/572153861.db2.gz PEDCBOMJWAJRNC-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO COC[C@@H](C)[N@@H+](CCCN)C(C)C 69901810 572153863 /nfs/dbraw/zinc/15/38/63/572153863.db2.gz PEDCBOMJWAJRNC-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO CCCC[C@H](N)C[NH+]1CCCCC1 37480871 572153873 /nfs/dbraw/zinc/15/38/73/572153873.db2.gz BUQIRWLZQZKPTN-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@H]1C[C@@H](C)CC(N)(C[NH3+])C1 82849681 572153891 /nfs/dbraw/zinc/15/38/91/572153891.db2.gz HHEQNCNNTGMLBS-JVHMLUBASA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H](C[NH2+]CC1(C2CC2)CC1)[C@@H](C)N 235155582 572153935 /nfs/dbraw/zinc/15/39/35/572153935.db2.gz RCLFLTZRQDJMPY-VHSXEESVSA-N 1 3 196.338 1.750 10 0 ADAEHO CCC[N@H+](C)C[C@@](C)(N)CCC 37480953 572153959 /nfs/dbraw/zinc/15/39/59/572153959.db2.gz JQGJOPHEERQVMA-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](C)C[C@@](C)(N)CCC 37480953 572153964 /nfs/dbraw/zinc/15/39/64/572153964.db2.gz JQGJOPHEERQVMA-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[C@@](C)(N)C[NH+](CC)CC 37480786 572154014 /nfs/dbraw/zinc/15/40/14/572154014.db2.gz STJFLXYMXLMCHZ-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@H+](C[C@](C)(N)C1CC1)C1CC1 37479214 572154079 /nfs/dbraw/zinc/15/40/79/572154079.db2.gz JRLDMLIXKKWBSW-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](C[C@](C)(N)C1CC1)C1CC1 37479214 572154081 /nfs/dbraw/zinc/15/40/81/572154081.db2.gz JRLDMLIXKKWBSW-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CC[C@H](C[NH2+]C)C1 300387988 572154293 /nfs/dbraw/zinc/15/42/93/572154293.db2.gz QHKDPKKFYWENIT-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H](C[NH2+]CC1(C)CCC1)[C@@H](C)N 235155432 572154300 /nfs/dbraw/zinc/15/43/00/572154300.db2.gz WSASILVBFQPZML-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1CC[C@@H](C)[C@H]([NH2+]CCCN)C1 82858751 572154609 /nfs/dbraw/zinc/15/46/09/572154609.db2.gz LNFYZTYDIPXACW-HBNTYKKESA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1C[C@@](C[NH3+])(NC2CC2)CCO1 69892512 572154613 /nfs/dbraw/zinc/15/46/13/572154613.db2.gz HWKVPFAXDAEESH-MNOVXSKESA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H]1CCC[C@](N)(C[NH3+])[C@@H]1C 82859985 572154617 /nfs/dbraw/zinc/15/46/17/572154617.db2.gz KXMFRBRTGLTBEP-YIZRAAEISA-N 1 3 156.273 1.099 10 0 ADAEHO CCCN(CCC[NH3+])[C@H](C)COC 69901796 572154625 /nfs/dbraw/zinc/15/46/25/572154625.db2.gz QYOWEXHERRGANT-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CCC[N@H+](CCCN)[C@H](C)COC 69901796 572154627 /nfs/dbraw/zinc/15/46/27/572154627.db2.gz QYOWEXHERRGANT-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CCC[N@@H+](CCCN)[C@H](C)COC 69901796 572154631 /nfs/dbraw/zinc/15/46/31/572154631.db2.gz QYOWEXHERRGANT-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[N@H+](C[C@](C)(N)C1CC1)C1CC1 37479200 572154676 /nfs/dbraw/zinc/15/46/76/572154676.db2.gz AGKIQBQJQQQQLG-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](C[C@](C)(N)C1CC1)C1CC1 37479200 572154678 /nfs/dbraw/zinc/15/46/78/572154678.db2.gz AGKIQBQJQQQQLG-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO CC[NH+](CC)C[C@@](C)(N)C1CC1 37479131 572154779 /nfs/dbraw/zinc/15/47/79/572154779.db2.gz BYTOUBRLHWKQQL-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCC[C@@](N)(C[NH3+])[C@@H]1C 82859987 572154941 /nfs/dbraw/zinc/15/49/41/572154941.db2.gz KXMFRBRTGLTBEP-DJLDLDEBSA-N 1 3 156.273 1.099 10 0 ADAEHO CCC[C@@](C)(N)C[N@H+](C)C(C)C 37480846 572154944 /nfs/dbraw/zinc/15/49/44/572154944.db2.gz RPCQXEIEJZEJDO-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@](C)(N)C[N@@H+](C)C(C)C 37480846 572154947 /nfs/dbraw/zinc/15/49/47/572154947.db2.gz RPCQXEIEJZEJDO-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@H+](C)C[C@](C)(N)C1CC1 37479216 572154981 /nfs/dbraw/zinc/15/49/81/572154981.db2.gz VXPDDDSPHQLQFB-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C)C[C@](C)(N)C1CC1 37479216 572154985 /nfs/dbraw/zinc/15/49/85/572154985.db2.gz VXPDDDSPHQLQFB-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1C[C@](C[NH3+])(NC2CC2)CCO1 69892520 572155137 /nfs/dbraw/zinc/15/51/37/572155137.db2.gz HWKVPFAXDAEESH-WDEREUQCSA-N 1 3 198.310 1.025 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@]1(CC)CC[NH2+]C1 300389222 572155143 /nfs/dbraw/zinc/15/51/43/572155143.db2.gz RRTVNMHVODTTQX-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@](C[NH3+])(NC2CC2)CCO1 69892517 572155200 /nfs/dbraw/zinc/15/52/00/572155200.db2.gz HWKVPFAXDAEESH-GHMZBOCLSA-N 1 3 198.310 1.025 10 0 ADAEHO CCCC[C@@H](N)C[N@H+](CC)C1CC1 37480920 572155224 /nfs/dbraw/zinc/15/52/24/572155224.db2.gz AYIDVVYWAVFFJW-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H](N)C[N@@H+](CC)C1CC1 37480920 572155227 /nfs/dbraw/zinc/15/52/27/572155227.db2.gz AYIDVVYWAVFFJW-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CC[C@H](C)[C@H]([NH2+]CCCN)C1 82858749 572155256 /nfs/dbraw/zinc/15/52/56/572155256.db2.gz LNFYZTYDIPXACW-GARJFASQSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[N@H+](C)C[C@@](C)(N)C1CC1 37479165 572155428 /nfs/dbraw/zinc/15/54/28/572155428.db2.gz ZCJJHFGHRGGKCY-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@](C)(N)C1CC1 37479165 572155429 /nfs/dbraw/zinc/15/54/29/572155429.db2.gz ZCJJHFGHRGGKCY-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC1(C)C[C@@H]1C[NH2+]C[C@H]1CCC[C@H]1N 300389514 572155471 /nfs/dbraw/zinc/15/54/71/572155471.db2.gz SASRDSQVNDYXFW-GMTAPVOTSA-N 1 3 196.338 1.750 10 0 ADAEHO CCCC[N@H+](C)C[C@@](C)(N)C1CC1 37479159 572155850 /nfs/dbraw/zinc/15/58/50/572155850.db2.gz DKXFRVLSRLAGHH-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[C@@H](N)C[N@H+](C)CC 37480916 572155504 /nfs/dbraw/zinc/15/55/04/572155504.db2.gz AKPBEUGEMZVAQS-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCCC[C@@H](N)C[N@@H+](C)CC 37480916 572155506 /nfs/dbraw/zinc/15/55/06/572155506.db2.gz AKPBEUGEMZVAQS-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[N@H+](C[C@@](C)(N)C1CC1)C1CC1 37479201 572155566 /nfs/dbraw/zinc/15/55/66/572155566.db2.gz AGKIQBQJQQQQLG-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](C[C@@](C)(N)C1CC1)C1CC1 37479201 572155568 /nfs/dbraw/zinc/15/55/68/572155568.db2.gz AGKIQBQJQQQQLG-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@]1(CC)CC[NH2+]C1 300389223 572155587 /nfs/dbraw/zinc/15/55/87/572155587.db2.gz RRTVNMHVODTTQX-IJLUTSLNSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](CC)CN 300389502 572155598 /nfs/dbraw/zinc/15/55/98/572155598.db2.gz RZJVLMYWKIXARV-AXFHLTTASA-N 1 3 184.327 1.750 10 0 ADAEHO CCCN(CCC[NH3+])[C@@H](C)COC 69901795 572155677 /nfs/dbraw/zinc/15/56/77/572155677.db2.gz QYOWEXHERRGANT-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCC[N@H+](CCCN)[C@@H](C)COC 69901795 572155682 /nfs/dbraw/zinc/15/56/82/572155682.db2.gz QYOWEXHERRGANT-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCC[N@@H+](CCCN)[C@@H](C)COC 69901795 572155683 /nfs/dbraw/zinc/15/56/83/572155683.db2.gz QYOWEXHERRGANT-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCCC[N@@H+](C)C[C@@](C)(N)C1CC1 37479159 572155857 /nfs/dbraw/zinc/15/58/57/572155857.db2.gz DKXFRVLSRLAGHH-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[C@@H](N)C[N@H+](C)CCC 37480952 572155939 /nfs/dbraw/zinc/15/59/39/572155939.db2.gz PPHGHVNTONFRTE-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[C@@H](N)C[N@@H+](C)CCC 37480952 572155940 /nfs/dbraw/zinc/15/59/40/572155940.db2.gz PPHGHVNTONFRTE-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCNC1 300388941 572155995 /nfs/dbraw/zinc/15/59/95/572155995.db2.gz RJMDLROLAWLMBJ-QJPTWQEYSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC[C@H]1CCC[NH2+]C1 300388941 572155997 /nfs/dbraw/zinc/15/59/97/572155997.db2.gz RJMDLROLAWLMBJ-QJPTWQEYSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCC[N@H+](C)C[C@](C)(N)C1CC1 37479157 572156317 /nfs/dbraw/zinc/15/63/17/572156317.db2.gz DKXFRVLSRLAGHH-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@@H+](C)C[C@](C)(N)C1CC1 37479157 572156319 /nfs/dbraw/zinc/15/63/19/572156319.db2.gz DKXFRVLSRLAGHH-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](CC)CN 300389503 572156414 /nfs/dbraw/zinc/15/64/14/572156414.db2.gz RZJVLMYWKIXARV-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 300389218 572156440 /nfs/dbraw/zinc/15/64/40/572156440.db2.gz RRLOWTLDXSIUCC-YTWAJWBKSA-N 1 3 182.311 1.502 10 0 ADAEHO CCC[C@](C)(N)C[N@H+](C)C(C)C 37480845 572156456 /nfs/dbraw/zinc/15/64/56/572156456.db2.gz RPCQXEIEJZEJDO-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@](C)(N)C[N@@H+](C)C(C)C 37480845 572156460 /nfs/dbraw/zinc/15/64/60/572156460.db2.gz RPCQXEIEJZEJDO-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CCCC[C@H](N)C[N@H+](CC)C1CC1 37480919 572156552 /nfs/dbraw/zinc/15/65/52/572156552.db2.gz AYIDVVYWAVFFJW-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@H](N)C[N@@H+](CC)C1CC1 37480919 572156554 /nfs/dbraw/zinc/15/65/54/572156554.db2.gz AYIDVVYWAVFFJW-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCNC1 300388943 572156606 /nfs/dbraw/zinc/15/66/06/572156606.db2.gz RJMDLROLAWLMBJ-UTUOFQBUSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1CCC[NH2+]C1 300388943 572156609 /nfs/dbraw/zinc/15/66/09/572156609.db2.gz RJMDLROLAWLMBJ-UTUOFQBUSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH+](CC)C[C@](C)(N)C1CC1 37479129 572156882 /nfs/dbraw/zinc/15/68/82/572156882.db2.gz BYTOUBRLHWKQQL-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[C@H](N)C[NH+]1CCCC1 37480775 572156945 /nfs/dbraw/zinc/15/69/45/572156945.db2.gz VANBWVXUGASTOG-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 300389219 572156952 /nfs/dbraw/zinc/15/69/52/572156952.db2.gz RRLOWTLDXSIUCC-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO CCC[C@@](C)(N)C[N@H+](CC)C1CC1 37480922 572157119 /nfs/dbraw/zinc/15/71/19/572157119.db2.gz ZGKIVDZBHPSKGP-LLVKDONJSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@](C)(N)C[N@@H+](CC)C1CC1 37480922 572157123 /nfs/dbraw/zinc/15/71/23/572157123.db2.gz ZGKIVDZBHPSKGP-LLVKDONJSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@H]1C[C@H]1CCC 300387974 572157187 /nfs/dbraw/zinc/15/71/87/572157187.db2.gz QGBRAPVJIWOBOM-VWYCJHECSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 300389217 572157198 /nfs/dbraw/zinc/15/71/98/572157198.db2.gz RRLOWTLDXSIUCC-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](CC)CN 300389504 572157215 /nfs/dbraw/zinc/15/72/15/572157215.db2.gz RZJVLMYWKIXARV-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@](C)(N)C[N@H+](C)CC 37480918 572157287 /nfs/dbraw/zinc/15/72/87/572157287.db2.gz ZSGRWGGANMLLHT-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[C@@](C)(N)C[N@@H+](C)CC 37480918 572157291 /nfs/dbraw/zinc/15/72/91/572157291.db2.gz ZSGRWGGANMLLHT-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])C(C)C 300390578 572157762 /nfs/dbraw/zinc/15/77/62/572157762.db2.gz UPVSMVUMPTWXAK-BBBLOLIVSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1N 300390584 572158053 /nfs/dbraw/zinc/15/80/53/572158053.db2.gz UPVWGNJCVFOADN-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])CC(C)C 300390225 572158225 /nfs/dbraw/zinc/15/82/25/572158225.db2.gz SZASVWJVNNASQL-VWYCJHECSA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]CC1(CN)CCC1 300388639 572158757 /nfs/dbraw/zinc/15/87/57/572158757.db2.gz RANBUMIEHVJOKH-MNOVXSKESA-N 1 3 196.338 1.894 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@H]([NH3+])CC(C)C 300390223 572158940 /nfs/dbraw/zinc/15/89/40/572158940.db2.gz SZASVWJVNNASQL-GMTAPVOTSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]([NH3+])C(C)C 300390580 572159139 /nfs/dbraw/zinc/15/91/39/572159139.db2.gz UPVSMVUMPTWXAK-UTLUCORTSA-N 1 3 170.300 1.358 10 0 ADAEHO CCN(C)Cc1cc(F)ccc1C[NH3+] 82864964 572159304 /nfs/dbraw/zinc/15/93/04/572159304.db2.gz UYAMHERXRGLYHD-UHFFFAOYSA-N 1 3 196.269 1.736 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1N 300390583 572159610 /nfs/dbraw/zinc/15/96/10/572159610.db2.gz UPVWGNJCVFOADN-YTWAJWBKSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CCC[C@H]1[NH3+] 300390583 572159614 /nfs/dbraw/zinc/15/96/14/572159614.db2.gz UPVWGNJCVFOADN-YTWAJWBKSA-N 1 3 182.311 1.502 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CCC(C)C)C1 37484208 572159633 /nfs/dbraw/zinc/15/96/33/572159633.db2.gz SRUFXORJRQWHRO-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CCCNC1CC1 300388596 572160670 /nfs/dbraw/zinc/16/06/70/572160670.db2.gz QXLJSFUYIYAYEI-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1C[C@@H]1NCCC[NH2+]C1CC1 300388596 572160671 /nfs/dbraw/zinc/16/06/71/572160671.db2.gz QXLJSFUYIYAYEI-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@H]([NH3+])C(C)C 300390579 572160828 /nfs/dbraw/zinc/16/08/28/572160828.db2.gz UPVSMVUMPTWXAK-KXUCPTDWSA-N 1 3 170.300 1.358 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@H]1C[C@H]1CC 300389963 572160874 /nfs/dbraw/zinc/16/08/74/572160874.db2.gz SPCRYZXZVXOHSI-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCC[C@H]([NH3+])CN[C@H]1C[C@H]1CC 300390974 572160979 /nfs/dbraw/zinc/16/09/79/572160979.db2.gz VAMYNHTZLSJUPU-VWYCJHECSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@@H]1C[C@H]1CC 300389962 572161035 /nfs/dbraw/zinc/16/10/35/572161035.db2.gz SPCRYZXZVXOHSI-KXUCPTDWSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 300390582 572161052 /nfs/dbraw/zinc/16/10/52/572161052.db2.gz UPVWGNJCVFOADN-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 300390582 572161054 /nfs/dbraw/zinc/16/10/54/572161054.db2.gz UPVWGNJCVFOADN-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CC2CC2)C1 37484305 572161502 /nfs/dbraw/zinc/16/15/02/572161502.db2.gz IZVGEAZGPHBTHC-NSHDSACASA-N 1 3 182.311 1.328 10 0 ADAEHO CCC[NH2+]C[C@H]1CCN(CC)C1 37484251 572161533 /nfs/dbraw/zinc/16/15/33/572161533.db2.gz HCHLWOIZVUZLTL-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C[C@@H]1CC1(C)C 300392587 572161602 /nfs/dbraw/zinc/16/16/02/572161602.db2.gz WZPCEZXTCPWNIA-ZJUUUORDSA-N 1 3 184.327 1.478 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 300392929 572161636 /nfs/dbraw/zinc/16/16/36/572161636.db2.gz XGHULGCKGILQIZ-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 300392929 572161639 /nfs/dbraw/zinc/16/16/39/572161639.db2.gz XGHULGCKGILQIZ-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1C[NH2+]C[C@H]1C 300392837 572161863 /nfs/dbraw/zinc/16/18/63/572161863.db2.gz XCBNWMZDERVRFX-DBIOUOCHSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H](CC(F)(F)F)[NH2+]CC(C)(C)N 235156775 572161977 /nfs/dbraw/zinc/16/19/77/572161977.db2.gz IHAPUDVCYRQXGO-LURJTMIESA-N 1 3 198.232 1.654 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@]1(C)CC[NH2+]C1 300393292 572162026 /nfs/dbraw/zinc/16/20/26/572162026.db2.gz XQKAXZXEOOWPJC-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1N 300392925 572162085 /nfs/dbraw/zinc/16/20/85/572162085.db2.gz XGHULGCKGILQIZ-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CCCC[C@H]1[NH3+] 300392925 572162087 /nfs/dbraw/zinc/16/20/87/572162087.db2.gz XGHULGCKGILQIZ-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1N 300392544 572162149 /nfs/dbraw/zinc/16/21/49/572162149.db2.gz WVYNJOBBJJEGNM-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1CCC[C@H]1[NH3+] 300392544 572162151 /nfs/dbraw/zinc/16/21/51/572162151.db2.gz WVYNJOBBJJEGNM-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](N)C1 300392529 572162162 /nfs/dbraw/zinc/16/21/62/572162162.db2.gz WUCKQIHRUKAAKD-ZNSHCXBVSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CC[C@@H]([NH3+])C1 300392529 572162164 /nfs/dbraw/zinc/16/21/64/572162164.db2.gz WUCKQIHRUKAAKD-ZNSHCXBVSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 300392526 572162167 /nfs/dbraw/zinc/16/21/67/572162167.db2.gz WUCKQIHRUKAAKD-DBIOUOCHSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 300392526 572162168 /nfs/dbraw/zinc/16/21/68/572162168.db2.gz WUCKQIHRUKAAKD-DBIOUOCHSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@]1(C)CC[NH2+]C1 300393290 572162236 /nfs/dbraw/zinc/16/22/36/572162236.db2.gz XQKAXZXEOOWPJC-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCC[NH2+]C[C@@H]1CCN(CC)C1 37484248 572162476 /nfs/dbraw/zinc/16/24/76/572162476.db2.gz JRZULHMPMNLUDE-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C 300392843 572162551 /nfs/dbraw/zinc/16/25/51/572162551.db2.gz XCBNWMZDERVRFX-ZNSHCXBVSA-N 1 3 182.311 1.230 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@](C)([NH3+])CC 300392541 572162726 /nfs/dbraw/zinc/16/27/26/572162726.db2.gz WVQNISOAWHSMGE-KXUCPTDWSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@](C)([NH3+])CC 300392543 572162967 /nfs/dbraw/zinc/16/29/67/572162967.db2.gz WVQNISOAWHSMGE-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 300392546 572163160 /nfs/dbraw/zinc/16/31/60/572163160.db2.gz WVYNJOBBJJEGNM-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 300392546 572163163 /nfs/dbraw/zinc/16/31/63/572163163.db2.gz WVYNJOBBJJEGNM-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1C 300392839 572163458 /nfs/dbraw/zinc/16/34/58/572163458.db2.gz XCBNWMZDERVRFX-VLEAKVRGSA-N 1 3 182.311 1.230 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 300392527 572163803 /nfs/dbraw/zinc/16/38/03/572163803.db2.gz WUCKQIHRUKAAKD-RCWTZXSCSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CC[C@H]([NH3+])C1 300392527 572163805 /nfs/dbraw/zinc/16/38/05/572163805.db2.gz WUCKQIHRUKAAKD-RCWTZXSCSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@](C)([NH3+])CC 300392542 572163855 /nfs/dbraw/zinc/16/38/55/572163855.db2.gz WVQNISOAWHSMGE-OPRDCNLKSA-N 1 3 170.300 1.502 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CC2CC2)C1 37484304 572164033 /nfs/dbraw/zinc/16/40/33/572164033.db2.gz IZVGEAZGPHBTHC-LLVKDONJSA-N 1 3 182.311 1.328 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1N 300392545 572164774 /nfs/dbraw/zinc/16/47/74/572164774.db2.gz WVYNJOBBJJEGNM-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1C[NH2+]C[C@@H]1C 300392841 572164350 /nfs/dbraw/zinc/16/43/50/572164350.db2.gz XCBNWMZDERVRFX-ZDCRXTMVSA-N 1 3 182.311 1.230 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H]1CCC[C@H]1[NH3+] 300392545 572164779 /nfs/dbraw/zinc/16/47/79/572164779.db2.gz WVYNJOBBJJEGNM-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CCCC[NH2+]C[C@H]1CCN(CC)C1 37484249 572164444 /nfs/dbraw/zinc/16/44/44/572164444.db2.gz JRZULHMPMNLUDE-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)=C1CNC1 300392502 572164458 /nfs/dbraw/zinc/16/44/58/572164458.db2.gz WQSCALFOEZFXCB-PWSUYJOCSA-N 1 3 194.322 1.684 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CN 300392295 572164478 /nfs/dbraw/zinc/16/44/78/572164478.db2.gz WPKMZPRLVOYMCO-OPRDCNLKSA-N 1 3 170.300 1.359 10 0 ADAEHO CNCCC[N@@H+]1CCCCC[C@H]1C 69944779 572164545 /nfs/dbraw/zinc/16/45/45/572164545.db2.gz KMJVQWSBVOUMFB-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CNCCC[N@H+]1CCCCC[C@H]1C 69944779 572164549 /nfs/dbraw/zinc/16/45/49/572164549.db2.gz KMJVQWSBVOUMFB-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@H]([NH3+])CN[C@H]1C[C@H]1CC 300393558 572165632 /nfs/dbraw/zinc/16/56/32/572165632.db2.gz XXWDFEILAFNWOE-VGMNWLOBSA-N 1 3 156.273 1.112 10 0 ADAEHO CNC[C@H]1CC[N@H+](C[C@H]2CC2(C)C)C1 300394050 572165688 /nfs/dbraw/zinc/16/56/88/572165688.db2.gz YQKGXYKDJMDBNV-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300394050 572165695 /nfs/dbraw/zinc/16/56/95/572165695.db2.gz YQKGXYKDJMDBNV-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@@H]1C[C@H]1CC 300394029 572165808 /nfs/dbraw/zinc/16/58/08/572165808.db2.gz YPJWYQHELDSVAS-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C[C@H]2CC2(C)C)C1 300394052 572166000 /nfs/dbraw/zinc/16/60/00/572166000.db2.gz YQKGXYKDJMDBNV-WDEREUQCSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300394052 572166004 /nfs/dbraw/zinc/16/60/04/572166004.db2.gz YQKGXYKDJMDBNV-WDEREUQCSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H]2CCNC[C@@H]2C)C1 70045499 572166490 /nfs/dbraw/zinc/16/64/90/572166490.db2.gz XHFGHCZMJJPIGD-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H]2CCNC[C@@H]2C)C1 70045499 572166492 /nfs/dbraw/zinc/16/64/92/572166492.db2.gz XHFGHCZMJJPIGD-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+]C[C@H]1CC1(C)C 300394903 572167013 /nfs/dbraw/zinc/16/70/13/572167013.db2.gz ZRCJUHRTEPGJES-LPEHRKFASA-N 1 3 184.327 1.605 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]CCCN 300394852 572167273 /nfs/dbraw/zinc/16/72/73/572167273.db2.gz ZJXHYIKYTNXYNL-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NCCC[NH3+] 300394852 572167276 /nfs/dbraw/zinc/16/72/76/572167276.db2.gz ZJXHYIKYTNXYNL-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+]C[C@H]1CC1(C)C 300394902 572167635 /nfs/dbraw/zinc/16/76/35/572167635.db2.gz ZRCJUHRTEPGJES-KXUCPTDWSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@H]([NH3+])CN[C@@H]1C[C@H]1CC 300393557 572167626 /nfs/dbraw/zinc/16/76/26/572167626.db2.gz XXWDFEILAFNWOE-HRDYMLBCSA-N 1 3 156.273 1.112 10 0 ADAEHO C[NH+](C)C(C)(C)CNc1ccncc1 43411937 572170037 /nfs/dbraw/zinc/17/00/37/572170037.db2.gz REUNURKUMWBNMS-UHFFFAOYSA-N 1 3 193.294 1.834 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045605 572168873 /nfs/dbraw/zinc/16/88/73/572168873.db2.gz XALANNGQFFOVIO-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045605 572168879 /nfs/dbraw/zinc/16/88/79/572168879.db2.gz XALANNGQFFOVIO-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CCNC[C@@H]1C 70045576 572168932 /nfs/dbraw/zinc/16/89/32/572168932.db2.gz XKHBXIWDQICINF-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CCNC[C@@H]1C 70045576 572168935 /nfs/dbraw/zinc/16/89/35/572168935.db2.gz XKHBXIWDQICINF-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045590 572169531 /nfs/dbraw/zinc/16/95/31/572169531.db2.gz IPXQKVJVHBXFEY-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045590 572169535 /nfs/dbraw/zinc/16/95/35/572169535.db2.gz IPXQKVJVHBXFEY-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@H+](CC(C)C)[C@H]1CCNC[C@@H]1C 70045595 572169761 /nfs/dbraw/zinc/16/97/61/572169761.db2.gz LTUBLYORFPEGIO-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@H]1CCNC[C@@H]1C 70045595 572169765 /nfs/dbraw/zinc/16/97/65/572169765.db2.gz LTUBLYORFPEGIO-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045607 572169873 /nfs/dbraw/zinc/16/98/73/572169873.db2.gz XALANNGQFFOVIO-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045607 572169875 /nfs/dbraw/zinc/16/98/75/572169875.db2.gz XALANNGQFFOVIO-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@H+](CC(C)C)[C@@H]1CCNC[C@@H]1C 70045593 572170692 /nfs/dbraw/zinc/17/06/92/572170692.db2.gz LTUBLYORFPEGIO-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@@H]1CCNC[C@@H]1C 70045593 572170694 /nfs/dbraw/zinc/17/06/94/572170694.db2.gz LTUBLYORFPEGIO-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1CC[C@](C)(CNC)C1 300400102 572170993 /nfs/dbraw/zinc/17/09/93/572170993.db2.gz IXERLFANKXVDFG-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)C[N@H+]1CC[C@](C)(CNC)C1 300400102 572170994 /nfs/dbraw/zinc/17/09/94/572170994.db2.gz IXERLFANKXVDFG-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@](C)(CNC)C1 300400208 572172161 /nfs/dbraw/zinc/17/21/61/572172161.db2.gz PRICHNKEOLXZMN-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@](C)(CNC)C1 300400208 572172163 /nfs/dbraw/zinc/17/21/63/572172163.db2.gz PRICHNKEOLXZMN-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045793 572172521 /nfs/dbraw/zinc/17/25/21/572172521.db2.gz IIIYIZQVSWZUJX-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)N1CC[C@](C)(C[NH2+]C)C1 300400208 572172166 /nfs/dbraw/zinc/17/21/66/572172166.db2.gz PRICHNKEOLXZMN-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H]1CCNC[C@H]1C 70045795 572171306 /nfs/dbraw/zinc/17/13/06/572171306.db2.gz IIIYIZQVSWZUJX-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H]1CCNC[C@H]1C 70045795 572171308 /nfs/dbraw/zinc/17/13/08/572171308.db2.gz IIIYIZQVSWZUJX-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](N)[C@H](C)C[NH2+]CC1(C)CC1 235160979 572171383 /nfs/dbraw/zinc/17/13/83/572171383.db2.gz VTBHMDNLUQCOFU-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCC[C@H]1C 70045743 572173217 /nfs/dbraw/zinc/17/32/17/572173217.db2.gz SYUREGQFKVHFSF-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCC[C@H]1C 70045743 572173219 /nfs/dbraw/zinc/17/32/19/572173219.db2.gz SYUREGQFKVHFSF-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@@H]1CCNC[C@@H]1C 70045749 572171552 /nfs/dbraw/zinc/17/15/52/572171552.db2.gz PKYMCJWSKGUZHM-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@@H]1CCNC[C@@H]1C 70045749 572171555 /nfs/dbraw/zinc/17/15/55/572171555.db2.gz PKYMCJWSKGUZHM-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](N)[C@H](C)C[NH2+]CC1(C)CCC1 235161011 572171577 /nfs/dbraw/zinc/17/15/77/572171577.db2.gz WSASILVBFQPZML-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H]1CCNC[C@H]1C 70045792 572171625 /nfs/dbraw/zinc/17/16/25/572171625.db2.gz IIIYIZQVSWZUJX-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H]1CCNC[C@H]1C 70045792 572171628 /nfs/dbraw/zinc/17/16/28/572171628.db2.gz IIIYIZQVSWZUJX-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1N 82922484 572173226 /nfs/dbraw/zinc/17/32/26/572173226.db2.gz HYLZHBXTAGZUBG-VWYCJHECSA-N 1 3 184.327 1.750 10 0 ADAEHO CS[C@@H]1CCC[C@@H]1[NH2+]CCCN 235163078 572172096 /nfs/dbraw/zinc/17/20/96/572172096.db2.gz ZCMDCPOEFAFLIE-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO CS[C@@H]1CCC[C@@H]1NCCC[NH3+] 235163078 572172099 /nfs/dbraw/zinc/17/20/99/572172099.db2.gz ZCMDCPOEFAFLIE-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CCNC[C@@H]2C)C1 70045758 572172002 /nfs/dbraw/zinc/17/20/02/572172002.db2.gz CINOQYYQPCWTKY-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CCNC[C@@H]2C)C1 70045758 572172005 /nfs/dbraw/zinc/17/20/05/572172005.db2.gz CINOQYYQPCWTKY-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1C[C@H]1C1CN(C)C1 393346758 572172183 /nfs/dbraw/zinc/17/21/83/572172183.db2.gz GFISNJIDWLTGBW-GXSJLCMTSA-N 1 3 182.311 1.182 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H]1CCNC[C@@H]1C 70045793 572172518 /nfs/dbraw/zinc/17/25/18/572172518.db2.gz IIIYIZQVSWZUJX-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@](C)(CNC)C1 300400207 572172530 /nfs/dbraw/zinc/17/25/30/572172530.db2.gz PRICHNKEOLXZMN-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@](C)(CNC)C1 300400207 572172533 /nfs/dbraw/zinc/17/25/33/572172533.db2.gz PRICHNKEOLXZMN-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)N1CC[C@](C)(C[NH2+]C)C1 300400207 572172536 /nfs/dbraw/zinc/17/25/36/572172536.db2.gz PRICHNKEOLXZMN-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1N 82922601 572173264 /nfs/dbraw/zinc/17/32/64/572173264.db2.gz QPLQRVQCZPKIJF-WOPDTQHZSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCCC[C@H]1N 82922214 572173275 /nfs/dbraw/zinc/17/32/75/572173275.db2.gz UMYRCIBMBKRDNH-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CC[C@](C)(CNC)C1 300400101 572173057 /nfs/dbraw/zinc/17/30/57/572173057.db2.gz IXERLFANKXVDFG-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)C[N@H+]1CC[C@](C)(CNC)C1 300400101 572173060 /nfs/dbraw/zinc/17/30/60/572173060.db2.gz IXERLFANKXVDFG-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H](N)[C@H](C)C[NH2+]CC1(C2CC2)CC1 235161107 572173071 /nfs/dbraw/zinc/17/30/71/572173071.db2.gz RCLFLTZRQDJMPY-NXEZZACHSA-N 1 3 196.338 1.750 10 0 ADAEHO N[C@H]1CCC[C@@H]1C[NH2+]CC1CC1 82922298 572173118 /nfs/dbraw/zinc/17/31/18/572173118.db2.gz OZRQVBATUSPTSH-ZJUUUORDSA-N 1 3 168.284 1.113 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCCC[C@@H]1N 82922212 572173126 /nfs/dbraw/zinc/17/31/26/572173126.db2.gz UMYRCIBMBKRDNH-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1CCCC[C@H]1N 82922263 572173133 /nfs/dbraw/zinc/17/31/33/572173133.db2.gz MZSUSSBUXUCUAZ-GHMZBOCLSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1N 82922485 572173140 /nfs/dbraw/zinc/17/31/40/572173140.db2.gz HYLZHBXTAGZUBG-DCAQKATOSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCC[NH2+]C[C@@H]1CCC[C@@H]1N 82922312 572173164 /nfs/dbraw/zinc/17/31/64/572173164.db2.gz SGINORKSQBDFRL-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1N 82922600 572173251 /nfs/dbraw/zinc/17/32/51/572173251.db2.gz QPLQRVQCZPKIJF-SRVKXCTJSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1N 82922247 572173188 /nfs/dbraw/zinc/17/31/88/572173188.db2.gz DQYIIUAAHGTMCU-AXFHLTTASA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@H]1CCC[C@@H]1N 82922603 572173203 /nfs/dbraw/zinc/17/32/03/572173203.db2.gz QPLQRVQCZPKIJF-UTUOFQBUSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[NH2+]C[C@H]1CCCC[C@@H]1N 82922213 572173298 /nfs/dbraw/zinc/17/32/98/572173298.db2.gz UMYRCIBMBKRDNH-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)[NH2+]C[C@H]1C[C@@H]1C1CN(C)C1 393346761 572173388 /nfs/dbraw/zinc/17/33/88/572173388.db2.gz GFISNJIDWLTGBW-KOLCDFICSA-N 1 3 182.311 1.182 10 0 ADAEHO CCn1ccnc1NC[C@@H]([NH3+])C(C)C 70010900 572173681 /nfs/dbraw/zinc/17/36/81/572173681.db2.gz PFDQZEMFLYDZGJ-SECBINFHSA-N 1 3 196.298 1.298 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCC[C@@H]1C 70045744 572173397 /nfs/dbraw/zinc/17/33/97/572173397.db2.gz SYUREGQFKVHFSF-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCC[C@@H]1C 70045744 572173401 /nfs/dbraw/zinc/17/34/01/572173401.db2.gz SYUREGQFKVHFSF-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CCCC[NH2+]C[C@H]1CCC[C@H]1N 82922315 572173426 /nfs/dbraw/zinc/17/34/26/572173426.db2.gz SGINORKSQBDFRL-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1N 82922245 572173453 /nfs/dbraw/zinc/17/34/53/572173453.db2.gz DQYIIUAAHGTMCU-DCAQKATOSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045796 572173458 /nfs/dbraw/zinc/17/34/58/572173458.db2.gz IIIYIZQVSWZUJX-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045796 572173460 /nfs/dbraw/zinc/17/34/60/572173460.db2.gz IIIYIZQVSWZUJX-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 82922457 572173474 /nfs/dbraw/zinc/17/34/74/572173474.db2.gz UNMBDYJZQLWIQY-NAKRPEOUSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]1C[C@@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 82922457 572173478 /nfs/dbraw/zinc/17/34/78/572173478.db2.gz UNMBDYJZQLWIQY-NAKRPEOUSA-N 1 3 182.311 1.502 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CCNC[C@@H]1C 70045370 572173533 /nfs/dbraw/zinc/17/35/33/572173533.db2.gz YQKLRDNYKKZZMM-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045370 572173535 /nfs/dbraw/zinc/17/35/35/572173535.db2.gz YQKLRDNYKKZZMM-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[NH2+]C[C@H]1C[C@H]1C1CN(C)C1 393346763 572173573 /nfs/dbraw/zinc/17/35/73/572173573.db2.gz GFISNJIDWLTGBW-MWLCHTKSSA-N 1 3 182.311 1.182 10 0 ADAEHO CCCC[NH2+]C[C@H]1CCCC[C@@H]1N 82922309 572173603 /nfs/dbraw/zinc/17/36/03/572173603.db2.gz HDVRJKMYKJUQJQ-MNOVXSKESA-N 1 3 184.327 1.894 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1 82922295 572173654 /nfs/dbraw/zinc/17/36/54/572173654.db2.gz GPHKSWIYKFOANX-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 82922458 572173658 /nfs/dbraw/zinc/17/36/58/572173658.db2.gz UNMBDYJZQLWIQY-VPOLOUISSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 82922458 572173660 /nfs/dbraw/zinc/17/36/60/572173660.db2.gz UNMBDYJZQLWIQY-VPOLOUISSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1N 82922261 572173816 /nfs/dbraw/zinc/17/38/16/572173816.db2.gz MZSUSSBUXUCUAZ-MNOVXSKESA-N 1 3 184.327 1.750 10 0 ADAEHO N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1 82922293 572173821 /nfs/dbraw/zinc/17/38/21/572173821.db2.gz GPHKSWIYKFOANX-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 82922461 572173837 /nfs/dbraw/zinc/17/38/37/572173837.db2.gz OFIRKVXKWCLJID-XKNYDFJKSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@H]1C[C@@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 82922461 572173838 /nfs/dbraw/zinc/17/38/38/572173838.db2.gz OFIRKVXKWCLJID-XKNYDFJKSA-N 1 3 168.284 1.112 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1N 82922250 572174008 /nfs/dbraw/zinc/17/40/08/572174008.db2.gz IYVCAKDICKYWNI-BBBLOLIVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H]1N 82922248 572174043 /nfs/dbraw/zinc/17/40/43/572174043.db2.gz IYVCAKDICKYWNI-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 82922417 572174062 /nfs/dbraw/zinc/17/40/62/572174062.db2.gz CEBYUUSYXQXVFK-GARJFASQSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 82922417 572174063 /nfs/dbraw/zinc/17/40/63/572174063.db2.gz CEBYUUSYXQXVFK-GARJFASQSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[NH2+]C[C@H]1CCCC[C@H]1N 82922215 572174092 /nfs/dbraw/zinc/17/40/92/572174092.db2.gz UMYRCIBMBKRDNH-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H](CCN)[NH+](CC1CC1)CC1CC1 70064043 572174109 /nfs/dbraw/zinc/17/41/09/572174109.db2.gz NFAYVXOMNAAHEP-SNVBAGLBSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[C@H]1NC[C@H]1CCC[C@@H]1[NH3+] 82922423 572174113 /nfs/dbraw/zinc/17/41/13/572174113.db2.gz BHOZLIVMTBDRSM-KXUCPTDWSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H]1N 82922423 572174116 /nfs/dbraw/zinc/17/41/16/572174116.db2.gz BHOZLIVMTBDRSM-KXUCPTDWSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1N 82922262 572174142 /nfs/dbraw/zinc/17/41/42/572174142.db2.gz MZSUSSBUXUCUAZ-WDEREUQCSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCC[NH2+]C[C@@H]1CCCC[C@H]1N 82922310 572174152 /nfs/dbraw/zinc/17/41/52/572174152.db2.gz HDVRJKMYKJUQJQ-WDEREUQCSA-N 1 3 184.327 1.894 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1CCC[C@@H]1N 82922265 572174214 /nfs/dbraw/zinc/17/42/14/572174214.db2.gz DAGAKZNZBJGRNA-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@H]1CCC[C@@H]1N 82922487 572174220 /nfs/dbraw/zinc/17/42/20/572174220.db2.gz HYLZHBXTAGZUBG-AXFHLTTASA-N 1 3 184.327 1.750 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 82922421 572174893 /nfs/dbraw/zinc/17/48/93/572174893.db2.gz BHOZLIVMTBDRSM-LPEHRKFASA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H](CN)C[NH+](CC1CC1)CC1CC1 70064053 572174238 /nfs/dbraw/zinc/17/42/38/572174238.db2.gz LGPGOHOTQDEBTE-JTQLQIEISA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 82922459 572174253 /nfs/dbraw/zinc/17/42/53/572174253.db2.gz UNMBDYJZQLWIQY-XWLWVQCSSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]1C[C@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 82922459 572174254 /nfs/dbraw/zinc/17/42/54/572174254.db2.gz UNMBDYJZQLWIQY-XWLWVQCSSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)(C)C[NH2+]C[C@H]1CCC[C@H]1N 82922339 572174280 /nfs/dbraw/zinc/17/42/80/572174280.db2.gz QZUPFCGVGVEDQV-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]1N 82922338 572174285 /nfs/dbraw/zinc/17/42/85/572174285.db2.gz QZUPFCGVGVEDQV-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 82922421 572174896 /nfs/dbraw/zinc/17/48/96/572174896.db2.gz BHOZLIVMTBDRSM-LPEHRKFASA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 82922463 572174344 /nfs/dbraw/zinc/17/43/44/572174344.db2.gz OFIRKVXKWCLJID-AATLWQCWSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@H]1C[C@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 82922463 572174346 /nfs/dbraw/zinc/17/43/46/572174346.db2.gz OFIRKVXKWCLJID-AATLWQCWSA-N 1 3 168.284 1.112 10 0 ADAEHO CC1(C)C[C@H]1NC[C@H]1CCCC[C@@H]1[NH3+] 82922419 572174447 /nfs/dbraw/zinc/17/44/47/572174447.db2.gz CEBYUUSYXQXVFK-OUAUKWLOSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1N 82922419 572174451 /nfs/dbraw/zinc/17/44/51/572174451.db2.gz CEBYUUSYXQXVFK-OUAUKWLOSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1N 82922264 572174466 /nfs/dbraw/zinc/17/44/66/572174466.db2.gz DAGAKZNZBJGRNA-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1N 82922251 572174532 /nfs/dbraw/zinc/17/45/32/572174532.db2.gz IYVCAKDICKYWNI-AEJSXWLSSA-N 1 3 170.300 1.502 10 0 ADAEHO NC(=[NH2+])CCN(CC1CC1)CC1CC1 70064313 572174906 /nfs/dbraw/zinc/17/49/06/572174906.db2.gz FFDNNENYZTZVBP-UHFFFAOYSA-N 1 3 195.310 1.434 10 0 ADAEHO CCCC[NH2+]C[C@@H]1CCC[C@H]1N 82922314 572174576 /nfs/dbraw/zinc/17/45/76/572174576.db2.gz SGINORKSQBDFRL-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1 82922294 572174628 /nfs/dbraw/zinc/17/46/28/572174628.db2.gz GPHKSWIYKFOANX-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 82922462 572174914 /nfs/dbraw/zinc/17/49/14/572174914.db2.gz OFIRKVXKWCLJID-XFWSIPNHSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 82922462 572174916 /nfs/dbraw/zinc/17/49/16/572174916.db2.gz OFIRKVXKWCLJID-XFWSIPNHSA-N 1 3 168.284 1.112 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1CCC[C@H]1N 82922267 572174704 /nfs/dbraw/zinc/17/47/04/572174704.db2.gz DAGAKZNZBJGRNA-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1N 82922260 572174731 /nfs/dbraw/zinc/17/47/31/572174731.db2.gz MZSUSSBUXUCUAZ-QWRGUYRKSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@H]1CCC[C@@H]1N 82922486 572174742 /nfs/dbraw/zinc/17/47/42/572174742.db2.gz HYLZHBXTAGZUBG-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO N[C@H]1CCC[C@H]1C[NH2+]CC1CC1 82922299 572174793 /nfs/dbraw/zinc/17/47/93/572174793.db2.gz OZRQVBATUSPTSH-UWVGGRQHSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H](N)CC[NH+](CC1CC1)CC1CC1 70064145 572174841 /nfs/dbraw/zinc/17/48/41/572174841.db2.gz DPUSISKNGBCOPI-JTQLQIEISA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC[NH2+]C[C@H]1CCC[C@@H]1N 82922313 572174869 /nfs/dbraw/zinc/17/48/69/572174869.db2.gz SGINORKSQBDFRL-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1 82922292 572174957 /nfs/dbraw/zinc/17/49/57/572174957.db2.gz GPHKSWIYKFOANX-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1 82922296 572174966 /nfs/dbraw/zinc/17/49/66/572174966.db2.gz OZRQVBATUSPTSH-NXEZZACHSA-N 1 3 168.284 1.113 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1N 82922246 572174997 /nfs/dbraw/zinc/17/49/97/572174997.db2.gz DQYIIUAAHGTMCU-MXWKQRLJSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]1N 82922336 572175226 /nfs/dbraw/zinc/17/52/26/572175226.db2.gz QZUPFCGVGVEDQV-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1N 82922249 572175263 /nfs/dbraw/zinc/17/52/63/572175263.db2.gz IYVCAKDICKYWNI-GUBZILKMSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H](CN)C[NH+](CC1CC1)CC1CC1 70064054 572175332 /nfs/dbraw/zinc/17/53/32/572175332.db2.gz LGPGOHOTQDEBTE-SNVBAGLBSA-N 1 3 196.338 1.703 10 0 ADAEHO CCCC[NH2+]C[C@H]1CCCC[C@H]1N 82922311 572175370 /nfs/dbraw/zinc/17/53/70/572175370.db2.gz HDVRJKMYKJUQJQ-GHMZBOCLSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H](CCN)[NH+](CC1CC1)CC1CC1 70064042 572175696 /nfs/dbraw/zinc/17/56/96/572175696.db2.gz NFAYVXOMNAAHEP-JTQLQIEISA-N 1 3 196.338 1.846 10 0 ADAEHO COCCC[N@H+](CCCN)C(C)C 37753572 572185357 /nfs/dbraw/zinc/18/53/57/572185357.db2.gz ZTYUEKHIJGLSQF-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO COCCC[N@@H+](CCCN)C(C)C 37753572 572185360 /nfs/dbraw/zinc/18/53/60/572185360.db2.gz ZTYUEKHIJGLSQF-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@@H](N)CC[NH+](CC1CC1)CC1CC1 70064146 572176279 /nfs/dbraw/zinc/17/62/79/572176279.db2.gz DPUSISKNGBCOPI-SNVBAGLBSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[C@H](C)CN(C)CCC(N)=[NH2+] 300961275 572176815 /nfs/dbraw/zinc/17/68/15/572176815.db2.gz QYCDWOOBGGDLSM-JTQLQIEISA-N 1 3 199.342 1.926 10 0 ADAEHO C[C@H]([NH2+]CCCN)C1(C)CC1 37713574 572177184 /nfs/dbraw/zinc/17/71/84/572177184.db2.gz MCGQHVUUNPIUGZ-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1C[C@@]1(C)CC 397318420 572177261 /nfs/dbraw/zinc/17/72/61/572177261.db2.gz ADDLGPIXSCXSGJ-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H](C[NH3+])CN[C@@H]1C[C@@]1(C)CC 397318420 572177264 /nfs/dbraw/zinc/17/72/64/572177264.db2.gz ADDLGPIXSCXSGJ-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@H](C)C[NH2+]CCCN 37713476 572177329 /nfs/dbraw/zinc/17/73/29/572177329.db2.gz RBDSMZHAFWBBDF-SECBINFHSA-N 1 3 158.289 1.361 10 0 ADAEHO Cc1ccc(CNCCC[NH3+])cc1C 37713804 572177422 /nfs/dbraw/zinc/17/74/22/572177422.db2.gz CFZRXJSJPIXUFG-UHFFFAOYSA-N 1 3 192.306 1.742 10 0 ADAEHO C[C@@H]([NH2+]CCCN)C1(C)CC1 37713575 572177543 /nfs/dbraw/zinc/17/75/43/572177543.db2.gz MCGQHVUUNPIUGZ-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H](C[NH2+]CCCN)c1ccccc1 37713446 572177560 /nfs/dbraw/zinc/17/75/60/572177560.db2.gz NAJBVLNECDZHKR-LLVKDONJSA-N 1 3 192.306 1.729 10 0 ADAEHO C[C@H](CNCCC[NH3+])c1ccccc1 37713446 572177562 /nfs/dbraw/zinc/17/75/62/572177562.db2.gz NAJBVLNECDZHKR-LLVKDONJSA-N 1 3 192.306 1.729 10 0 ADAEHO CC(C)C[C@@H](C)CN(C)CCC(N)=[NH2+] 300961278 572177774 /nfs/dbraw/zinc/17/77/74/572177774.db2.gz QYCDWOOBGGDLSM-SNVBAGLBSA-N 1 3 199.342 1.926 10 0 ADAEHO CC[C@H]([NH3+])CCN[C@@H]1C[C@@]1(C)CC 397318348 572177937 /nfs/dbraw/zinc/17/79/37/572177937.db2.gz ACDDVKIQZANEJG-HBNTYKKESA-N 1 3 184.327 1.892 10 0 ADAEHO CCC(CC)C[NH2+]CCCN 37713136 572178189 /nfs/dbraw/zinc/17/81/89/572178189.db2.gz CWYATCCUNURYMW-UHFFFAOYSA-N 1 3 158.289 1.361 10 0 ADAEHO COC(C)(C)C[C@H](C)[NH2+]CCCN 37713548 572178329 /nfs/dbraw/zinc/17/83/29/572178329.db2.gz FCPJENJRJVKLHN-VIFPVBQESA-N 1 3 188.315 1.128 10 0 ADAEHO COC(C)(C)C[C@@H](C)[NH2+]CCCN 37713549 572179920 /nfs/dbraw/zinc/17/99/20/572179920.db2.gz FCPJENJRJVKLHN-SECBINFHSA-N 1 3 188.315 1.128 10 0 ADAEHO C[C@@H](C[NH2+]CCCN)c1ccccc1 37713445 572178748 /nfs/dbraw/zinc/17/87/48/572178748.db2.gz NAJBVLNECDZHKR-NSHDSACASA-N 1 3 192.306 1.729 10 0 ADAEHO C[C@@H](CNCCC[NH3+])c1ccccc1 37713445 572178750 /nfs/dbraw/zinc/17/87/50/572178750.db2.gz NAJBVLNECDZHKR-NSHDSACASA-N 1 3 192.306 1.729 10 0 ADAEHO C[C@@H](NCCC[NH3+])c1ccc(O)cc1 37713172 572178768 /nfs/dbraw/zinc/17/87/68/572178768.db2.gz XQXREQFQJJKOHZ-SECBINFHSA-N 1 3 194.278 1.392 10 0 ADAEHO CCC[C@H](C)C[NH2+]CCCN 37713477 572179050 /nfs/dbraw/zinc/17/90/50/572179050.db2.gz RBDSMZHAFWBBDF-VIFPVBQESA-N 1 3 158.289 1.361 10 0 ADAEHO Cc1ccc(CNCCC[NH3+])c(C)c1 37713057 572179240 /nfs/dbraw/zinc/17/92/40/572179240.db2.gz ARQBJMOKQWYIMW-UHFFFAOYSA-N 1 3 192.306 1.742 10 0 ADAEHO C[C@H](NCCC[NH3+])c1ccc(O)cc1 37713171 572179304 /nfs/dbraw/zinc/17/93/04/572179304.db2.gz XQXREQFQJJKOHZ-VIFPVBQESA-N 1 3 194.278 1.392 10 0 ADAEHO CCCCC[C@@H](C)[NH2+]CCCN 37713487 572179632 /nfs/dbraw/zinc/17/96/32/572179632.db2.gz JWHNVYYIMMJMQP-SNVBAGLBSA-N 1 3 172.316 1.894 10 0 ADAEHO CCC[C@@H]1C[N@H+](CCC)CCCN1 82941580 572181940 /nfs/dbraw/zinc/18/19/40/572181940.db2.gz SOOVPJKJISGLCY-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@@H]1C[N@@H+](CCC)CCCN1 82941580 572181941 /nfs/dbraw/zinc/18/19/41/572181941.db2.gz SOOVPJKJISGLCY-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@@H]1CN(CCC)CCC[NH2+]1 82941580 572181943 /nfs/dbraw/zinc/18/19/43/572181943.db2.gz SOOVPJKJISGLCY-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H](NCCCC[NH3+])c1ccccn1 37714799 572182400 /nfs/dbraw/zinc/18/24/00/572182400.db2.gz SOUWGOMGXDGSRT-SNVBAGLBSA-N 1 3 193.294 1.471 10 0 ADAEHO C[C@H](CNCC[NH3+])c1ccccc1 37712621 572182532 /nfs/dbraw/zinc/18/25/32/572182532.db2.gz OPXSTIVDAOHYFC-SNVBAGLBSA-N 1 3 178.279 1.338 10 0 ADAEHO Cc1ccc(CNCCCC[NH3+])o1 37714716 572182600 /nfs/dbraw/zinc/18/26/00/572182600.db2.gz VHTIVQWBCIXUHE-UHFFFAOYSA-N 1 3 182.267 1.417 10 0 ADAEHO CCC[C@H]1C[N@H+](CCC)CCCN1 82941581 572182626 /nfs/dbraw/zinc/18/26/26/572182626.db2.gz SOOVPJKJISGLCY-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@H]1C[N@@H+](CCC)CCCN1 82941581 572182629 /nfs/dbraw/zinc/18/26/29/572182629.db2.gz SOOVPJKJISGLCY-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@H]1CN(CCC)CCC[NH2+]1 82941581 572182632 /nfs/dbraw/zinc/18/26/32/572182632.db2.gz SOOVPJKJISGLCY-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H](CNCC[NH3+])c1ccccc1 37712620 572182854 /nfs/dbraw/zinc/18/28/54/572182854.db2.gz OPXSTIVDAOHYFC-JTQLQIEISA-N 1 3 178.279 1.338 10 0 ADAEHO C/C=C\CNCCC[NH+]1CCCC1 393347102 572182929 /nfs/dbraw/zinc/18/29/29/572182929.db2.gz INMJZVLQYXQMAT-IHWYPQMZSA-N 1 3 182.311 1.638 10 0 ADAEHO C/C=C\C[NH2+]CCCN1CCCC1 393347102 572182931 /nfs/dbraw/zinc/18/29/31/572182931.db2.gz INMJZVLQYXQMAT-IHWYPQMZSA-N 1 3 182.311 1.638 10 0 ADAEHO Cc1nc(CNCCCC[NH3+])cs1 37715240 572183452 /nfs/dbraw/zinc/18/34/52/572183452.db2.gz INWJOASSKBYXCP-UHFFFAOYSA-N 1 3 199.323 1.280 10 0 ADAEHO C[C@H](NCCCC[NH3+])c1ccccn1 37714798 572183478 /nfs/dbraw/zinc/18/34/78/572183478.db2.gz SOUWGOMGXDGSRT-JTQLQIEISA-N 1 3 193.294 1.471 10 0 ADAEHO C[NH2+]C1CCN([C@H](C)C2CC2)CC1 35733657 572183533 /nfs/dbraw/zinc/18/35/33/572183533.db2.gz OEDNSBLLUDJAND-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@H](C)C2CC2)CC1 35733657 572183538 /nfs/dbraw/zinc/18/35/38/572183538.db2.gz OEDNSBLLUDJAND-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[NH2+][C@@H](CNCC2(C)CC2)C1 235652912 572184293 /nfs/dbraw/zinc/18/42/93/572184293.db2.gz JAJHOANUVYOVQT-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 35733665 572184515 /nfs/dbraw/zinc/18/45/15/572184515.db2.gz WJKHUNRPBCNFTE-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1CC[C@H](CN)C1 35733665 572184516 /nfs/dbraw/zinc/18/45/16/572184516.db2.gz WJKHUNRPBCNFTE-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[NH2+]C(C)(C)CN[C@H]1CC[C@@H]1C 393348105 572184922 /nfs/dbraw/zinc/18/49/22/572184922.db2.gz LKECTQOTGQZEEJ-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO COCCCN(CCC[NH3+])C(C)C 37753572 572185364 /nfs/dbraw/zinc/18/53/64/572185364.db2.gz ZTYUEKHIJGLSQF-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO CN(C)Cc1cccc(C(N)=[NH2+])c1 19511903 572185591 /nfs/dbraw/zinc/18/55/91/572185591.db2.gz LAXMTVKGNHTZRL-UHFFFAOYSA-N 1 3 177.251 1.032 10 0 ADAEHO CCCCN(CC)CCC(N)=[NH2+] 19485841 572185612 /nfs/dbraw/zinc/18/56/12/572185612.db2.gz JRHYTFAMEOPJNN-UHFFFAOYSA-N 1 3 171.288 1.434 10 0 ADAEHO CCC(C)(C)NCC(C)(C)[NH2+]C 393349012 572185726 /nfs/dbraw/zinc/18/57/26/572185726.db2.gz PNGPUZJUAZTLOF-UHFFFAOYSA-N 1 3 172.316 1.763 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@H](CN)C1 19508046 572185818 /nfs/dbraw/zinc/18/58/18/572185818.db2.gz HPHHHIBPONESLA-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@H](CN)C1 19508046 572185820 /nfs/dbraw/zinc/18/58/20/572185820.db2.gz HPHHHIBPONESLA-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@@H](CN)C1 19508044 572185880 /nfs/dbraw/zinc/18/58/80/572185880.db2.gz HPHHHIBPONESLA-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@@H](CN)C1 19508044 572185881 /nfs/dbraw/zinc/18/58/81/572185881.db2.gz HPHHHIBPONESLA-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+](CCCN)CCCOC 37753571 572186192 /nfs/dbraw/zinc/18/61/92/572186192.db2.gz MMBJKAMUDRFNTA-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCC[N@@H+](CCCN)CCCOC 37753571 572186195 /nfs/dbraw/zinc/18/61/95/572186195.db2.gz MMBJKAMUDRFNTA-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCCN(CCC[NH3+])CCCOC 37753571 572186199 /nfs/dbraw/zinc/18/61/99/572186199.db2.gz MMBJKAMUDRFNTA-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C2CCNCC2)[C@@H]1C 83041682 572187219 /nfs/dbraw/zinc/18/72/19/572187219.db2.gz BLDOUKVNTILXTC-UMNHJUIQSA-N 1 3 196.338 1.763 10 0 ADAEHO CCC(C)(C)[NH+]1CCC(N)CC1 19488842 572188153 /nfs/dbraw/zinc/18/81/53/572188153.db2.gz YCGFKYGGQIOSTQ-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC(C)(C)N1CCC([NH3+])CC1 19488842 572188155 /nfs/dbraw/zinc/18/81/55/572188155.db2.gz YCGFKYGGQIOSTQ-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)C[NH2+][C@H](C)CC(F)(F)F 235178676 572188837 /nfs/dbraw/zinc/18/88/37/572188837.db2.gz UJGFQQYVXUHSJG-PHDIDXHHSA-N 1 3 184.205 1.264 10 0 ADAEHO C[C@H]1CC[C@H]([NH+]2CCC(N)CC2)[C@@H]1C 83044903 572188984 /nfs/dbraw/zinc/18/89/84/572188984.db2.gz AXEDHPAMWPKYSJ-UMNHJUIQSA-N 1 3 196.338 1.844 10 0 ADAEHO CC1(C)[C@@H]2C[C@H]([NH3+])[C@@](C)(N)[C@H]1C2 35975653 572189019 /nfs/dbraw/zinc/18/90/19/572189019.db2.gz VCJPGDQWAVUEJX-GHCJXIJMSA-N 1 3 168.284 1.097 10 0 ADAEHO CCCC[C@H]1[C@@H]([NH3+])CCN1CC 711929475 572189197 /nfs/dbraw/zinc/18/91/97/572189197.db2.gz FAAOUMAECNKHPO-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]1CC[C@@H]([NH+]2CCC(N)CC2)[C@@H]1C 83044908 572189773 /nfs/dbraw/zinc/18/97/73/572189773.db2.gz AXEDHPAMWPKYSJ-HOSYDEDBSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]([NH3+])c1cccc2c1CN(C)CC2 214613214 572190435 /nfs/dbraw/zinc/19/04/35/572190435.db2.gz NRIZOXYURKPBIA-VIFPVBQESA-N 1 3 190.290 1.694 10 0 ADAEHO C[C@H]([NH3+])c1ccc2c(c1)CCN(C)C2 214613351 572190502 /nfs/dbraw/zinc/19/05/02/572190502.db2.gz ITDJCINHKUYZJC-VIFPVBQESA-N 1 3 190.290 1.694 10 0 ADAEHO C[C@@H]([NH3+])c1cccc2c1CN(C)CC2 214613276 572190832 /nfs/dbraw/zinc/19/08/32/572190832.db2.gz NRIZOXYURKPBIA-SECBINFHSA-N 1 3 190.290 1.694 10 0 ADAEHO CC[C@@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 83057942 572190849 /nfs/dbraw/zinc/19/08/49/572190849.db2.gz VINVWPUZNHXESH-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H](C1CC1)[N@H+]1CC[C@H](CN)C1 83057942 572190851 /nfs/dbraw/zinc/19/08/51/572190851.db2.gz VINVWPUZNHXESH-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CCCC[C@@H]1[C@H]([NH3+])CCN1CC 711929449 572191070 /nfs/dbraw/zinc/19/10/70/572191070.db2.gz FAAOUMAECNKHPO-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCCN1[C@H](C)CC[NH2+]C[C@H]1C 249855566 572191221 /nfs/dbraw/zinc/19/12/21/572191221.db2.gz LOTVVYWXKRNROL-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]([NH3+])c1ccc2c(c1)CCN(C)C2 214613405 572191300 /nfs/dbraw/zinc/19/13/00/572191300.db2.gz ITDJCINHKUYZJC-SECBINFHSA-N 1 3 190.290 1.694 10 0 ADAEHO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)N 235178509 572191762 /nfs/dbraw/zinc/19/17/62/572191762.db2.gz UJGFQQYVXUHSJG-RITPCOANSA-N 1 3 184.205 1.264 10 0 ADAEHO CC[C@H](C1CC1)[N@@H+]1CCC[C@H](CN)C1 83057935 572191811 /nfs/dbraw/zinc/19/18/11/572191811.db2.gz IOVZPLIXMWNZMD-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C1CC1)[N@H+]1CCC[C@H](CN)C1 83057935 572191816 /nfs/dbraw/zinc/19/18/16/572191816.db2.gz IOVZPLIXMWNZMD-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC[C@@H]1[C@@H]([NH3+])CCN1CC 711929476 572191817 /nfs/dbraw/zinc/19/18/17/572191817.db2.gz FAAOUMAECNKHPO-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CSCC[C@H]([NH3+])CNCCCF 393350036 572191927 /nfs/dbraw/zinc/19/19/27/572191927.db2.gz VBZCGKIFZVCZDG-QMMMGPOBSA-N 1 3 194.319 1.016 10 0 ADAEHO CCCC[C@H]1[C@H]([NH3+])CCN1CC 711929478 572192015 /nfs/dbraw/zinc/19/20/15/572192015.db2.gz FAAOUMAECNKHPO-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](C1CC1)[N@@H+]1CC[C@H](CNC)C1 83057971 572192196 /nfs/dbraw/zinc/19/21/96/572192196.db2.gz FNHJICZHVWTYKV-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C1CC1)[N@H+]1CC[C@H](CNC)C1 83057971 572192198 /nfs/dbraw/zinc/19/21/98/572192198.db2.gz FNHJICZHVWTYKV-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C1CC1)[N@@H+]1CC[C@H](CNC)C1 83057972 572192278 /nfs/dbraw/zinc/19/22/78/572192278.db2.gz FNHJICZHVWTYKV-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C1CC1)[N@H+]1CC[C@H](CNC)C1 83057972 572192281 /nfs/dbraw/zinc/19/22/81/572192281.db2.gz FNHJICZHVWTYKV-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(C)C[C@@H]1CSCC[C@H]1[NH3+] 249892730 572192589 /nfs/dbraw/zinc/19/25/89/572192589.db2.gz DTMIBNMZCFOZJL-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO CC[C@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 83057944 572192645 /nfs/dbraw/zinc/19/26/45/572192645.db2.gz VINVWPUZNHXESH-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C1CC1)[N@H+]1CC[C@H](CN)C1 83057944 572192647 /nfs/dbraw/zinc/19/26/47/572192647.db2.gz VINVWPUZNHXESH-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H]1C[C@H]1[NH2+]C1CCNCC1 234086365 572192862 /nfs/dbraw/zinc/19/28/62/572192862.db2.gz MNRGLXOKDFTSRF-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H]1C[C@H]1NC1CC[NH2+]CC1 234086365 572192865 /nfs/dbraw/zinc/19/28/65/572192865.db2.gz MNRGLXOKDFTSRF-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO CCSCCC[NH2+]C1CC(N)C1 300971299 572192907 /nfs/dbraw/zinc/19/29/07/572192907.db2.gz RZUJRYMXTPSQMM-UHFFFAOYSA-N 1 3 188.340 1.209 10 0 ADAEHO CCSCCCNC1CC([NH3+])C1 300971299 572192909 /nfs/dbraw/zinc/19/29/09/572192909.db2.gz RZUJRYMXTPSQMM-UHFFFAOYSA-N 1 3 188.340 1.209 10 0 ADAEHO CC[C@H]1C[C@H]1NCC(C)(C)[NH3+] 234088233 572193122 /nfs/dbraw/zinc/19/31/22/572193122.db2.gz HCZGWLGOWNSKHI-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO CCCC[N@H+](C)C[C@H](CN)C1CC1 397244397 572193161 /nfs/dbraw/zinc/19/31/61/572193161.db2.gz NEDQHZOITKBQAX-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCCC[N@@H+](C)C[C@H](CN)C1CC1 397244397 572193164 /nfs/dbraw/zinc/19/31/64/572193164.db2.gz NEDQHZOITKBQAX-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCCCN(C)C[C@H](C[NH3+])C1CC1 397244397 572193168 /nfs/dbraw/zinc/19/31/68/572193168.db2.gz NEDQHZOITKBQAX-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CN1CCc2cccc(CC[NH3+])c2C1 214613554 572193952 /nfs/dbraw/zinc/19/39/52/572193952.db2.gz ZQMZFNVMEIYIBD-UHFFFAOYSA-N 1 3 190.290 1.176 10 0 ADAEHO CC[C@@H](C1CC1)[N@@H+]1CCC[C@H](CN)C1 83057934 572193396 /nfs/dbraw/zinc/19/33/96/572193396.db2.gz IOVZPLIXMWNZMD-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](C1CC1)[N@H+]1CCC[C@H](CN)C1 83057934 572193400 /nfs/dbraw/zinc/19/34/00/572193400.db2.gz IOVZPLIXMWNZMD-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCCN1 83093125 572194186 /nfs/dbraw/zinc/19/41/86/572194186.db2.gz OIDFWMVJWUVDBM-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCCN1 83093125 572194188 /nfs/dbraw/zinc/19/41/88/572194188.db2.gz OIDFWMVJWUVDBM-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@H]1N1CCC[NH2+][C@H](C2CC2)C1 83093165 572194744 /nfs/dbraw/zinc/19/47/44/572194744.db2.gz KPULZJBMHMUICI-ZMLRMANQSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@H]1C[C@H]1[N@@H+]1CCCN[C@H](C2CC2)C1 83093165 572194746 /nfs/dbraw/zinc/19/47/46/572194746.db2.gz KPULZJBMHMUICI-ZMLRMANQSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@H]1C[C@H]1[N@H+]1CCCN[C@H](C2CC2)C1 83093165 572194749 /nfs/dbraw/zinc/19/47/49/572194749.db2.gz KPULZJBMHMUICI-ZMLRMANQSA-N 1 3 194.322 1.469 10 0 ADAEHO CCN(C)C[C@H]1CSCC[C@H]1[NH3+] 249892729 572195098 /nfs/dbraw/zinc/19/50/98/572195098.db2.gz DTMIBNMZCFOZJL-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1C[C@@H]1N1CCC[NH2+][C@H](C2CC2)C1 83093161 572195757 /nfs/dbraw/zinc/19/57/57/572195757.db2.gz KPULZJBMHMUICI-DLOVCJGASA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@H]1C[C@@H]1[N@@H+]1CCCN[C@H](C2CC2)C1 83093161 572195759 /nfs/dbraw/zinc/19/57/59/572195759.db2.gz KPULZJBMHMUICI-DLOVCJGASA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@H]1C[C@@H]1[N@H+]1CCCN[C@H](C2CC2)C1 83093161 572195761 /nfs/dbraw/zinc/19/57/61/572195761.db2.gz KPULZJBMHMUICI-DLOVCJGASA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@]1(C2CC2)[C@@H]([NH3+])CCN1C1CC1 711935466 572197585 /nfs/dbraw/zinc/19/75/85/572197585.db2.gz RGPDNBBGFYDGAK-QWRGUYRKSA-N 1 3 180.295 1.351 10 0 ADAEHO CC(C)[C@H](C)N(C)CCC(N)=[NH2+] 38718259 572197651 /nfs/dbraw/zinc/19/76/51/572197651.db2.gz ANYBMPBVVAXVRM-QMMMGPOBSA-N 1 3 171.288 1.289 10 0 ADAEHO CC(C)[C@@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 38718270 572197852 /nfs/dbraw/zinc/19/78/52/572197852.db2.gz QGUGFADKWOSDCM-RKDXNWHRSA-N 1 3 185.315 1.535 10 0 ADAEHO C[C@]1(C2CC2)[C@H]([NH3+])CCN1C1CC1 711935464 572197920 /nfs/dbraw/zinc/19/79/20/572197920.db2.gz RGPDNBBGFYDGAK-MNOVXSKESA-N 1 3 180.295 1.351 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 38718273 572198348 /nfs/dbraw/zinc/19/83/48/572198348.db2.gz QGUGFADKWOSDCM-BDAKNGLRSA-N 1 3 185.315 1.535 10 0 ADAEHO CC(C)[C@@H](C)N(C)CCC(N)=[NH2+] 38718256 572198448 /nfs/dbraw/zinc/19/84/48/572198448.db2.gz ANYBMPBVVAXVRM-MRVPVSSYSA-N 1 3 171.288 1.289 10 0 ADAEHO C[C@@]1(C2CC2)[C@H]([NH3+])CCN1C1CC1 711935460 572199011 /nfs/dbraw/zinc/19/90/11/572199011.db2.gz RGPDNBBGFYDGAK-GHMZBOCLSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@]1(C2CC2)[C@@H]([NH3+])CCN1C1CC1 711935470 572198504 /nfs/dbraw/zinc/19/85/04/572198504.db2.gz RGPDNBBGFYDGAK-WDEREUQCSA-N 1 3 180.295 1.351 10 0 ADAEHO CSC1(C[N@H+](C)C[C@@H](C)N)CC1 393350550 572200183 /nfs/dbraw/zinc/20/01/83/572200183.db2.gz RXDOHXVHGXONGU-MRVPVSSYSA-N 1 3 188.340 1.161 10 0 ADAEHO CSC1(C[N@@H+](C)C[C@@H](C)N)CC1 393350550 572200186 /nfs/dbraw/zinc/20/01/86/572200186.db2.gz RXDOHXVHGXONGU-MRVPVSSYSA-N 1 3 188.340 1.161 10 0 ADAEHO CCC(CC)[N@@H+](C)[C@H](C)CCN 41042594 572209916 /nfs/dbraw/zinc/20/99/16/572209916.db2.gz VOISCUXDVBPCHH-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCN(CC(C)C)C[C@@H](C)C(N)=[NH2+] 39137131 572201288 /nfs/dbraw/zinc/20/12/88/572201288.db2.gz QZOCBCYJKKEDDH-SECBINFHSA-N 1 3 185.315 1.536 10 0 ADAEHO CC(C)CN(C)C[C@@H](C)C(N)=[NH2+] 39137054 572201597 /nfs/dbraw/zinc/20/15/97/572201597.db2.gz AKVMBOIFHHBBMT-MRVPVSSYSA-N 1 3 171.288 1.146 10 0 ADAEHO CSC1(C[N@H+](C)C[C@H](C)N)CC1 393350553 572201774 /nfs/dbraw/zinc/20/17/74/572201774.db2.gz RXDOHXVHGXONGU-QMMMGPOBSA-N 1 3 188.340 1.161 10 0 ADAEHO CSC1(C[N@@H+](C)C[C@H](C)N)CC1 393350553 572201776 /nfs/dbraw/zinc/20/17/76/572201776.db2.gz RXDOHXVHGXONGU-QMMMGPOBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC(C)=CC[N@@H+](C)C1CCNCC1 36300567 572204756 /nfs/dbraw/zinc/20/47/56/572204756.db2.gz HWLNNZKCESOFJO-UHFFFAOYSA-N 1 3 182.311 1.636 10 0 ADAEHO CC(C)=CC[N@H+](C)C1CCNCC1 36300567 572204758 /nfs/dbraw/zinc/20/47/58/572204758.db2.gz HWLNNZKCESOFJO-UHFFFAOYSA-N 1 3 182.311 1.636 10 0 ADAEHO CC[C@H]1C[C@@H]1NCC(C)(C)[NH3+] 234096680 572204022 /nfs/dbraw/zinc/20/40/22/572204022.db2.gz HCZGWLGOWNSKHI-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@H]1C[C@@H]1[NH2+]C1CCNCC1 234094928 572204149 /nfs/dbraw/zinc/20/41/49/572204149.db2.gz MNRGLXOKDFTSRF-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H]1C[C@@H]1NC1CC[NH2+]CC1 234094928 572204151 /nfs/dbraw/zinc/20/41/51/572204151.db2.gz MNRGLXOKDFTSRF-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO CNCCC[NH2+]CCC(C)C 83339689 572205360 /nfs/dbraw/zinc/20/53/60/572205360.db2.gz PTPFOKAXBBZUCX-UHFFFAOYSA-N 1 3 158.289 1.232 10 0 ADAEHO C[C@H]1C[C@H](n2ccnc2N)CC[N@@H+]1C 235667588 572206638 /nfs/dbraw/zinc/20/66/38/572206638.db2.gz VQPHODWFQRBJJK-DTWKUNHWSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@H]1C[C@H](n2ccnc2N)CC[N@H+]1C 235667588 572206639 /nfs/dbraw/zinc/20/66/39/572206639.db2.gz VQPHODWFQRBJJK-DTWKUNHWSA-N 1 3 194.282 1.121 10 0 ADAEHO C[C@H]1C[C@H](n2cc[nH+]c2N)CCN1C 235667588 572206641 /nfs/dbraw/zinc/20/66/41/572206641.db2.gz VQPHODWFQRBJJK-DTWKUNHWSA-N 1 3 194.282 1.121 10 0 ADAEHO CCC[C@H]1[C@@H](NC)CC[N@@H+]1C(C)C 711953319 572206469 /nfs/dbraw/zinc/20/64/69/572206469.db2.gz SMUDYSAGVUZZBZ-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[C@H]1[C@@H](NC)CC[N@H+]1C(C)C 711953319 572206473 /nfs/dbraw/zinc/20/64/73/572206473.db2.gz SMUDYSAGVUZZBZ-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[C@@H]1[C@H](NC)CC[N@@H+]1C(C)C 711953314 572208769 /nfs/dbraw/zinc/20/87/69/572208769.db2.gz SMUDYSAGVUZZBZ-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[C@@H]1[C@H](NC)CC[N@H+]1C(C)C 711953314 572208772 /nfs/dbraw/zinc/20/87/72/572208772.db2.gz SMUDYSAGVUZZBZ-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCCC[C@H](C)[NH2+]CCCN 37713488 572209229 /nfs/dbraw/zinc/20/92/29/572209229.db2.gz JWHNVYYIMMJMQP-JTQLQIEISA-N 1 3 172.316 1.894 10 0 ADAEHO CCC(CC)[N@H+](C)[C@H](C)CCN 41042594 572209910 /nfs/dbraw/zinc/20/99/10/572209910.db2.gz VOISCUXDVBPCHH-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCC2(CC2)C1 400018656 572210016 /nfs/dbraw/zinc/21/00/16/572210016.db2.gz BGLYEINCTJLFHE-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H](C)CCN 41042536 572210073 /nfs/dbraw/zinc/21/00/73/572210073.db2.gz QPDMIZVJHLTVPO-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[N@H+](C1CC1)[C@H](C)CCN 41042536 572210078 /nfs/dbraw/zinc/21/00/78/572210078.db2.gz QPDMIZVJHLTVPO-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCN(C1CC1)[C@H](C)CC[NH3+] 41042536 572210080 /nfs/dbraw/zinc/21/00/80/572210080.db2.gz QPDMIZVJHLTVPO-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H](C)CCN 41042592 572210093 /nfs/dbraw/zinc/21/00/93/572210093.db2.gz YKWJGGQNBMCAFR-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)CCN 41042592 572210097 /nfs/dbraw/zinc/21/00/97/572210097.db2.gz YKWJGGQNBMCAFR-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H](C)CCN 41042545 572210325 /nfs/dbraw/zinc/21/03/25/572210325.db2.gz CRDMYYQQANRQRU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H](C)CCN 41042545 572210328 /nfs/dbraw/zinc/21/03/28/572210328.db2.gz CRDMYYQQANRQRU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCCN(C1CC1)[C@@H](C)CC[NH3+] 41042545 572210330 /nfs/dbraw/zinc/21/03/30/572210330.db2.gz CRDMYYQQANRQRU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+](C(C)C)[C@H](C)CCN 41042538 572210416 /nfs/dbraw/zinc/21/04/16/572210416.db2.gz DLVMQFHYTZVKBW-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H](C)CCN 41042538 572210418 /nfs/dbraw/zinc/21/04/18/572210418.db2.gz DLVMQFHYTZVKBW-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[C@H]([NH3+])CN1CC[C@H](C)C1 40725321 572210444 /nfs/dbraw/zinc/21/04/44/572210444.db2.gz ZKEMYBZVUWFQQD-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H](C)CCN 41042546 572210505 /nfs/dbraw/zinc/21/05/05/572210505.db2.gz CRDMYYQQANRQRU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H](C)CCN 41042546 572210509 /nfs/dbraw/zinc/21/05/09/572210509.db2.gz CRDMYYQQANRQRU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCN(C1CC1)[C@H](C)CC[NH3+] 41042546 572210510 /nfs/dbraw/zinc/21/05/10/572210510.db2.gz CRDMYYQQANRQRU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H]([NH3+])CN1CC[C@H](C)C1 40725323 572210822 /nfs/dbraw/zinc/21/08/22/572210822.db2.gz ZKEMYBZVUWFQQD-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)[C@@H](C)CCN 41042555 572211045 /nfs/dbraw/zinc/21/10/45/572211045.db2.gz AXJUKTOGHRUQMS-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)[C@@H](C)CCN 41042555 572211048 /nfs/dbraw/zinc/21/10/48/572211048.db2.gz AXJUKTOGHRUQMS-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)[C@@H](C)C1CC1 41042589 572211276 /nfs/dbraw/zinc/21/12/76/572211276.db2.gz LTTMRECKXYBRHH-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)[C@@H](C)C1CC1 41042589 572211277 /nfs/dbraw/zinc/21/12/77/572211277.db2.gz LTTMRECKXYBRHH-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@@H](C)CCN 41042569 572211184 /nfs/dbraw/zinc/21/11/84/572211184.db2.gz KZQZURMGCJGBNU-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@@H](C)CCN 41042569 572211187 /nfs/dbraw/zinc/21/11/87/572211187.db2.gz KZQZURMGCJGBNU-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@H](C)CCN 41042590 572211392 /nfs/dbraw/zinc/21/13/92/572211392.db2.gz LTTMRECKXYBRHH-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@H](C)CCN 41042590 572211394 /nfs/dbraw/zinc/21/13/94/572211394.db2.gz LTTMRECKXYBRHH-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CC[C@@H]([C@@H](N)c2ccccc2)C1 113100285 572211497 /nfs/dbraw/zinc/21/14/97/572211497.db2.gz JLERGBIKTJAXIA-NEPJUHHUSA-N 1 3 190.290 1.638 10 0 ADAEHO C[N@H+]1CC[C@@H]([C@@H](N)c2ccccc2)C1 113100285 572211504 /nfs/dbraw/zinc/21/15/04/572211504.db2.gz JLERGBIKTJAXIA-NEPJUHHUSA-N 1 3 190.290 1.638 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])c2ccccc2)C1 113100285 572211508 /nfs/dbraw/zinc/21/15/08/572211508.db2.gz JLERGBIKTJAXIA-NEPJUHHUSA-N 1 3 190.290 1.638 10 0 ADAEHO CC(C)C[N@H+](C)[C@H](C)CCN 41042550 572211520 /nfs/dbraw/zinc/21/15/20/572211520.db2.gz AQHSPIYIJMBYPP-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H](C)CCN 41042550 572211525 /nfs/dbraw/zinc/21/15/25/572211525.db2.gz AQHSPIYIJMBYPP-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CCCC[N@H+](CC)[C@H](C)CCN 41042514 572211578 /nfs/dbraw/zinc/21/15/78/572211578.db2.gz QEHZTAAEHSOFGF-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](CC)[C@H](C)CCN 41042514 572211581 /nfs/dbraw/zinc/21/15/81/572211581.db2.gz QEHZTAAEHSOFGF-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CC[N@@H+](C1CCCC1)[C@@H](C)CCN 41042575 572211812 /nfs/dbraw/zinc/21/18/12/572211812.db2.gz LMMFPLDHCUHZRD-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@H+](C1CCCC1)[C@@H](C)CCN 41042575 572211815 /nfs/dbraw/zinc/21/18/15/572211815.db2.gz LMMFPLDHCUHZRD-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+](CC)[C@@H](C)CCN 41042541 572211860 /nfs/dbraw/zinc/21/18/60/572211860.db2.gz NXFDBTOSQJXKDM-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](CC)[C@@H](C)CCN 41042541 572211863 /nfs/dbraw/zinc/21/18/63/572211863.db2.gz NXFDBTOSQJXKDM-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H](C)CCN 41042549 572211889 /nfs/dbraw/zinc/21/18/89/572211889.db2.gz AQHSPIYIJMBYPP-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H](C)CCN 41042549 572211892 /nfs/dbraw/zinc/21/18/92/572211892.db2.gz AQHSPIYIJMBYPP-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CCCC[N@H+](CC)[C@@H](C)CCN 41042513 572211926 /nfs/dbraw/zinc/21/19/26/572211926.db2.gz QEHZTAAEHSOFGF-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](CC)[C@@H](C)CCN 41042513 572211930 /nfs/dbraw/zinc/21/19/30/572211930.db2.gz QEHZTAAEHSOFGF-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC(CC)[N@H+](C)[C@@H](C)CCN 41042593 572211971 /nfs/dbraw/zinc/21/19/71/572211971.db2.gz VOISCUXDVBPCHH-VIFPVBQESA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(CC)[N@@H+](C)[C@@H](C)CCN 41042593 572211974 /nfs/dbraw/zinc/21/19/74/572211974.db2.gz VOISCUXDVBPCHH-VIFPVBQESA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])CN1CC[C@H](C)C1 40725277 572212077 /nfs/dbraw/zinc/21/20/77/572212077.db2.gz PUQWLDRKAUANGF-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@](C)([NH3+])CN1CC[C@H](C)C1 40725349 572212141 /nfs/dbraw/zinc/21/21/41/572212141.db2.gz IHSQQILAASPEQD-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+](CC)[C@H](C)CCN 41042542 572212369 /nfs/dbraw/zinc/21/23/69/572212369.db2.gz NXFDBTOSQJXKDM-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](CC)[C@H](C)CCN 41042542 572212370 /nfs/dbraw/zinc/21/23/70/572212370.db2.gz NXFDBTOSQJXKDM-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@H](C)CCN 41042570 572212377 /nfs/dbraw/zinc/21/23/77/572212377.db2.gz KZQZURMGCJGBNU-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@H](C)CCN 41042570 572212380 /nfs/dbraw/zinc/21/23/80/572212380.db2.gz KZQZURMGCJGBNU-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@](C)([NH3+])CN1CC[C@H](C)C1 40725351 572212453 /nfs/dbraw/zinc/21/24/53/572212453.db2.gz IHSQQILAASPEQD-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@H+](CC)[C@@H](C)CCN 41042556 572212466 /nfs/dbraw/zinc/21/24/66/572212466.db2.gz AXJUKTOGHRUQMS-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)[C@@H](C)CCN 41042556 572212468 /nfs/dbraw/zinc/21/24/68/572212468.db2.gz AXJUKTOGHRUQMS-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[C@@H]([NH3+])CN1CC[C@H](C)C1 40725281 572212475 /nfs/dbraw/zinc/21/24/75/572212475.db2.gz PUQWLDRKAUANGF-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CCCCC[N@H+](C)[C@H](C)CCN 41042558 572212525 /nfs/dbraw/zinc/21/25/25/572212525.db2.gz TUCPHCGSWFSBOO-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCCC[N@@H+](C)[C@H](C)CCN 41042558 572212527 /nfs/dbraw/zinc/21/25/27/572212527.db2.gz TUCPHCGSWFSBOO-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCCCN(C)[C@H](C)CC[NH3+] 41042558 572212528 /nfs/dbraw/zinc/21/25/28/572212528.db2.gz TUCPHCGSWFSBOO-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@H+](C(C)C)[C@@H](C)CCN 41042543 572212550 /nfs/dbraw/zinc/21/25/50/572212550.db2.gz QZBZLIHYMZVVIL-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@@H+](C(C)C)[C@@H](C)CCN 41042543 572212553 /nfs/dbraw/zinc/21/25/53/572212553.db2.gz QZBZLIHYMZVVIL-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC(C)[C@@H](C)[N@H+](C)[C@@H](C)CCN 41042591 572212680 /nfs/dbraw/zinc/21/26/80/572212680.db2.gz YKWJGGQNBMCAFR-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)CCN 41042591 572212683 /nfs/dbraw/zinc/21/26/83/572212683.db2.gz YKWJGGQNBMCAFR-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H](C)CCN 41042537 572212837 /nfs/dbraw/zinc/21/28/37/572212837.db2.gz DLVMQFHYTZVKBW-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H](C)CCN 41042537 572212839 /nfs/dbraw/zinc/21/28/39/572212839.db2.gz DLVMQFHYTZVKBW-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CCCCC[N@H+](C)[C@@H](C)CCN 41042557 572212889 /nfs/dbraw/zinc/21/28/89/572212889.db2.gz TUCPHCGSWFSBOO-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCCCC[N@@H+](C)[C@@H](C)CCN 41042557 572212892 /nfs/dbraw/zinc/21/28/92/572212892.db2.gz TUCPHCGSWFSBOO-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCCCCN(C)[C@@H](C)CC[NH3+] 41042557 572212893 /nfs/dbraw/zinc/21/28/93/572212893.db2.gz TUCPHCGSWFSBOO-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H](C)CCN 41042535 572212988 /nfs/dbraw/zinc/21/29/88/572212988.db2.gz QPDMIZVJHLTVPO-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H](C)CCN 41042535 572212991 /nfs/dbraw/zinc/21/29/91/572212991.db2.gz QPDMIZVJHLTVPO-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCN(C1CC1)[C@@H](C)CC[NH3+] 41042535 572212993 /nfs/dbraw/zinc/21/29/93/572212993.db2.gz QPDMIZVJHLTVPO-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CC[C@H](C)C1 40717029 572213030 /nfs/dbraw/zinc/21/30/30/572213030.db2.gz ZMBXKCQXPHVIAR-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CC[C@H](C)C1 40717029 572213033 /nfs/dbraw/zinc/21/30/33/572213033.db2.gz ZMBXKCQXPHVIAR-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+](CC(C)C)[C@H](C)CCN 41042554 572213113 /nfs/dbraw/zinc/21/31/13/572213113.db2.gz KINMEMBYZMEHNR-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@H](C)CCN 41042554 572213116 /nfs/dbraw/zinc/21/31/16/572213116.db2.gz KINMEMBYZMEHNR-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CC[C@H](C)C1 40717028 572213274 /nfs/dbraw/zinc/21/32/74/572213274.db2.gz ZMBXKCQXPHVIAR-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CC[C@H](C)C1 40717028 572213276 /nfs/dbraw/zinc/21/32/76/572213276.db2.gz ZMBXKCQXPHVIAR-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)[N@H+](C)[C@@H](C)CCN 41042596 572213336 /nfs/dbraw/zinc/21/33/36/572213336.db2.gz DUJRYFQSCZZDCW-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)[C@@H](C)CCN 41042596 572213339 /nfs/dbraw/zinc/21/33/39/572213339.db2.gz DUJRYFQSCZZDCW-UWVGGRQHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC(C)CC[NH2+]C[C@H]1CCCNC1 41202807 572214905 /nfs/dbraw/zinc/21/49/05/572214905.db2.gz IQYSTUODAUHHEL-NSHDSACASA-N 1 3 184.327 1.622 10 0 ADAEHO Cc1nc(CCC[NH3+])c2ccccn12 20263500 572215127 /nfs/dbraw/zinc/21/51/27/572215127.db2.gz BMPMZNPUWIZDGF-UHFFFAOYSA-N 1 3 189.262 1.534 10 0 ADAEHO CC[C@@H]([NH3+])CCN1CCC(C)CC1 83422308 572218048 /nfs/dbraw/zinc/21/80/48/572218048.db2.gz SWUBTZADTQLLQN-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[NH2+]C[C@@H]1CCCNC1 41202805 572216109 /nfs/dbraw/zinc/21/61/09/572216109.db2.gz IQYSTUODAUHHEL-LLVKDONJSA-N 1 3 184.327 1.622 10 0 ADAEHO CN[C@@H]1CC[C@@H](C)C[C@H]1[NH+]1CCCC1 43806975 572218105 /nfs/dbraw/zinc/21/81/05/572218105.db2.gz WPPPEZJTRAIXQZ-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCCC1 43807180 572216411 /nfs/dbraw/zinc/21/64/11/572216411.db2.gz IEPSVOJXRKIHAT-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C)C1 43811796 572216724 /nfs/dbraw/zinc/21/67/24/572216724.db2.gz QIFBGBSNUJCURS-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C)C1 43811796 572216725 /nfs/dbraw/zinc/21/67/25/572216725.db2.gz QIFBGBSNUJCURS-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1CCCC1 43807509 572216740 /nfs/dbraw/zinc/21/67/40/572216740.db2.gz HQNWMPJWEMZVOA-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CN[C@@H]1CC[C@H](C)C[C@H]1[NH+]1CCCC1 43806977 572216951 /nfs/dbraw/zinc/21/69/51/572216951.db2.gz WPPPEZJTRAIXQZ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](CCN)[NH+]1CCCC1 36677439 572216969 /nfs/dbraw/zinc/21/69/69/572216969.db2.gz MNBAKWIOWAVOAF-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[NH2+][C@@H]1CCCN(CC)CC1 83421265 572216993 /nfs/dbraw/zinc/21/69/93/572216993.db2.gz QVAZKWAUADPREL-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC(C)N(C)CC[C@H](C)[NH3+] 20429205 572217076 /nfs/dbraw/zinc/21/70/76/572217076.db2.gz ZPGBPEBNZJBAPM-QMMMGPOBSA-N 1 3 144.262 1.064 10 0 ADAEHO CC[C@H]([NH3+])CCN1CCC(C)CC1 83422302 572217157 /nfs/dbraw/zinc/21/71/57/572217157.db2.gz SWUBTZADTQLLQN-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO N[C@H](CC1CC1)C[N@@H+]1CCC2(CC2)C1 400038457 572217332 /nfs/dbraw/zinc/21/73/32/572217332.db2.gz LDCOUISGHXIQGD-LLVKDONJSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@H](CC1CC1)C[N@H+]1CCC2(CC2)C1 400038457 572217340 /nfs/dbraw/zinc/21/73/40/572217340.db2.gz LDCOUISGHXIQGD-LLVKDONJSA-N 1 3 194.322 1.600 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCCC1 43807182 572217410 /nfs/dbraw/zinc/21/74/10/572217410.db2.gz IEPSVOJXRKIHAT-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCN1CCC[C@H]([NH2+]CC2CC2)CC1 83421469 572217606 /nfs/dbraw/zinc/21/76/06/572217606.db2.gz VCBNGSXHQDGJLC-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](N)CC[NH+]1CCCCCC1 83422301 572217684 /nfs/dbraw/zinc/21/76/84/572217684.db2.gz DZYQAFBEZPZZGD-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCN1CCC[C@@H]([NH2+]CC2CC2)CC1 83421472 572217873 /nfs/dbraw/zinc/21/78/73/572217873.db2.gz VCBNGSXHQDGJLC-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]([NH3+])CCN1CCCCC1 83422281 572217887 /nfs/dbraw/zinc/21/78/87/572217887.db2.gz SVSBHPMXTGGVQI-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CC[N@@H+]1CC[C@@H](NC)[C@@]1(C)CC1CC1 711974385 572217906 /nfs/dbraw/zinc/21/79/06/572217906.db2.gz XAXVJWSBEZRWGX-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+]1CC[C@@H](NC)[C@@]1(C)CC1CC1 711974385 572217908 /nfs/dbraw/zinc/21/79/08/572217908.db2.gz XAXVJWSBEZRWGX-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]([NH3+])CCN1CCCCC1 83422278 572218268 /nfs/dbraw/zinc/21/82/68/572218268.db2.gz SVSBHPMXTGGVQI-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@H]1CCN(C2(C[NH3+])CC2)C1 234106006 572218648 /nfs/dbraw/zinc/21/86/48/572218648.db2.gz RQEZTJPPBDXSGW-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H](N)CC[NH+]1CCCCCCC1 20429225 572218920 /nfs/dbraw/zinc/21/89/20/572218920.db2.gz WAVOREREGJOAPB-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@H](N)CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 20429187 572218983 /nfs/dbraw/zinc/21/89/83/572218983.db2.gz BNJBPLNHRPWIBO-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 20429187 572218987 /nfs/dbraw/zinc/21/89/87/572218987.db2.gz BNJBPLNHRPWIBO-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CCCC1 36677438 572219157 /nfs/dbraw/zinc/21/91/57/572219157.db2.gz MNBAKWIOWAVOAF-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CCCN1CCC[C@@H]([NH2+]CC)CC1 83421317 572219356 /nfs/dbraw/zinc/21/93/56/572219356.db2.gz JJKKFBZIKHXNNP-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[NH2+][C@H]1CCCN(CC)CC1 83421266 572219712 /nfs/dbraw/zinc/21/97/12/572219712.db2.gz QVAZKWAUADPREL-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+](CC[C@@H](C)N)C1 20429186 572219731 /nfs/dbraw/zinc/21/97/31/572219731.db2.gz BNJBPLNHRPWIBO-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+](CC[C@@H](C)N)C1 20429186 572219733 /nfs/dbraw/zinc/21/97/33/572219733.db2.gz BNJBPLNHRPWIBO-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCCC[N@H+]1CC[C@@H](C)N 20429196 572219835 /nfs/dbraw/zinc/21/98/35/572219835.db2.gz FKJUBXOAFFYPRZ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1CC[C@@H](C)N 20429196 572219838 /nfs/dbraw/zinc/21/98/38/572219838.db2.gz FKJUBXOAFFYPRZ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]1CCCCN1CC[C@@H](C)[NH3+] 20429196 572219854 /nfs/dbraw/zinc/21/98/54/572219854.db2.gz FKJUBXOAFFYPRZ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CCCC[C@@H]1C 20429197 572220062 /nfs/dbraw/zinc/22/00/62/572220062.db2.gz FKJUBXOAFFYPRZ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[N@H+]1CCCC[C@@H]1C 20429197 572220063 /nfs/dbraw/zinc/22/00/63/572220063.db2.gz FKJUBXOAFFYPRZ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])CCN1CCCC[C@@H]1C 20429197 572220064 /nfs/dbraw/zinc/22/00/64/572220064.db2.gz FKJUBXOAFFYPRZ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[NH+]1C[C@H](C)C[C@@H](C)C1 20429189 572220101 /nfs/dbraw/zinc/22/01/01/572220101.db2.gz BNJBPLNHRPWIBO-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)N(C)CC[C@@H](C)[NH3+] 20429204 572220481 /nfs/dbraw/zinc/22/04/81/572220481.db2.gz ZPGBPEBNZJBAPM-MRVPVSSYSA-N 1 3 144.262 1.064 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]CCCN)CC1 83427710 572220795 /nfs/dbraw/zinc/22/07/95/572220795.db2.gz KROZRRODQFQDPF-GHMZBOCLSA-N 1 3 184.327 1.894 10 0 ADAEHO CCCN(CC[C@@H](C)[NH2+]C)C1CC1 43885502 572220951 /nfs/dbraw/zinc/22/09/51/572220951.db2.gz FXGUKIJOVJLDBW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]CCCN)CC1 83427709 572221159 /nfs/dbraw/zinc/22/11/59/572221159.db2.gz KROZRRODQFQDPF-QWRGUYRKSA-N 1 3 184.327 1.894 10 0 ADAEHO CN(CCCC[NH3+])Cc1cccnc1 36770854 572221200 /nfs/dbraw/zinc/22/12/00/572221200.db2.gz TTZJUCZACAMSON-UHFFFAOYSA-N 1 3 193.294 1.252 10 0 ADAEHO CCC(=[NH2+])N1CCCN(C)C[C@@H]1CC 234107377 572221441 /nfs/dbraw/zinc/22/14/41/572221441.db2.gz YOLIGDGPZYFBLC-JTQLQIEISA-N 1 3 197.326 1.790 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]CCCN)CC1 83427711 572221656 /nfs/dbraw/zinc/22/16/56/572221656.db2.gz KROZRRODQFQDPF-WDEREUQCSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]CCCN)CC1 83427708 572221943 /nfs/dbraw/zinc/22/19/43/572221943.db2.gz KROZRRODQFQDPF-MNOVXSKESA-N 1 3 184.327 1.894 10 0 ADAEHO CN(CCCC[NH3+])Cc1ccncc1 36771907 572221991 /nfs/dbraw/zinc/22/19/91/572221991.db2.gz NWYFWSYBYDFESJ-UHFFFAOYSA-N 1 3 193.294 1.252 10 0 ADAEHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCN)C1 235673345 572222553 /nfs/dbraw/zinc/22/25/53/572222553.db2.gz NDOWRLXFPXGPAG-ZYHUDNBSSA-N 1 3 196.338 1.917 10 0 ADAEHO C[C@H]1CC[NH2+][C@H](CNCC2(C)CC2)C1 235672909 572222869 /nfs/dbraw/zinc/22/28/69/572222869.db2.gz JAJHOANUVYOVQT-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO CN(CCCC[NH3+])Cc1ccccn1 36777114 572222875 /nfs/dbraw/zinc/22/28/75/572222875.db2.gz GTPSADOVARMAIQ-UHFFFAOYSA-N 1 3 193.294 1.252 10 0 ADAEHO FCCCC[N@@H+]1CCCNCC1 67799849 572224437 /nfs/dbraw/zinc/22/44/37/572224437.db2.gz RWVZGBMRTODIAM-UHFFFAOYSA-N 1 3 174.263 1.031 10 0 ADAEHO FCCCC[N@H+]1CCCNCC1 67799849 572224440 /nfs/dbraw/zinc/22/44/40/572224440.db2.gz RWVZGBMRTODIAM-UHFFFAOYSA-N 1 3 174.263 1.031 10 0 ADAEHO CNCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 36827246 572224836 /nfs/dbraw/zinc/22/48/36/572224836.db2.gz KTVKPWFSFNLGGA-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 36827246 572224838 /nfs/dbraw/zinc/22/48/38/572224838.db2.gz KTVKPWFSFNLGGA-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)CC1CC1 43905586 572225557 /nfs/dbraw/zinc/22/55/57/572225557.db2.gz QNFIGAURJAEEMS-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@H](C)NCC[C@H]1C[C@@H]1C1CC1 711986859 572225954 /nfs/dbraw/zinc/22/59/54/572225954.db2.gz HOFLHYUVYOBQTA-ZMLRMANQSA-N 1 3 196.338 1.620 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@H]1C 43902882 572226294 /nfs/dbraw/zinc/22/62/94/572226294.db2.gz VVOXAVMIVMVOEM-BBBLOLIVSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@H]1C 43902882 572226296 /nfs/dbraw/zinc/22/62/96/572226296.db2.gz VVOXAVMIVMVOEM-BBBLOLIVSA-N 1 3 170.300 1.467 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)CC1CC1 43905582 572226473 /nfs/dbraw/zinc/22/64/73/572226473.db2.gz QNFIGAURJAEEMS-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@@H](C)NCC[C@@H]1C[C@@H]1C1CC1 711986849 572226566 /nfs/dbraw/zinc/22/65/66/572226566.db2.gz HOFLHYUVYOBQTA-YUSALJHKSA-N 1 3 196.338 1.620 10 0 ADAEHO C[NH2+]C[C@H](C)NCC[C@@H]1C[C@H]1C1CC1 711986847 572226816 /nfs/dbraw/zinc/22/68/16/572226816.db2.gz HOFLHYUVYOBQTA-WCQGTBRESA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1CC[C@@H](C)NC 43904360 572226971 /nfs/dbraw/zinc/22/69/71/572226971.db2.gz BBYIFSSCHGDQPU-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1CC[C@@H](C)NC 43904360 572226974 /nfs/dbraw/zinc/22/69/74/572226974.db2.gz BBYIFSSCHGDQPU-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](C)C1 43908485 572227232 /nfs/dbraw/zinc/22/72/32/572227232.db2.gz PVUXSFJYJXMHTQ-BBBLOLIVSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)C1 43908485 572227235 /nfs/dbraw/zinc/22/72/35/572227235.db2.gz PVUXSFJYJXMHTQ-BBBLOLIVSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C)C1 43908489 572227273 /nfs/dbraw/zinc/22/72/73/572227273.db2.gz PVUXSFJYJXMHTQ-AEJSXWLSSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)C1 43908489 572227274 /nfs/dbraw/zinc/22/72/74/572227274.db2.gz PVUXSFJYJXMHTQ-AEJSXWLSSA-N 1 3 170.300 1.325 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCCC2)C1 36875080 572227791 /nfs/dbraw/zinc/22/77/91/572227791.db2.gz JHSGSZANGSLLSE-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]([NH2+]C1(CN)CC1)c1ccccc1 235202523 572227896 /nfs/dbraw/zinc/22/78/96/572227896.db2.gz LTYIDIWSRBLZDH-SNVBAGLBSA-N 1 3 190.290 1.829 10 0 ADAEHO CCC[N@H+](C)C[C@H](N)CC 36872055 572228497 /nfs/dbraw/zinc/22/84/97/572228497.db2.gz SVHKJGQTEBQJRB-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[N@@H+](C)C[C@H](N)CC 36872055 572228501 /nfs/dbraw/zinc/22/85/01/572228501.db2.gz SVHKJGQTEBQJRB-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO C1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CN1 711989638 572229031 /nfs/dbraw/zinc/22/90/31/572229031.db2.gz TUIAKYDCSYVBSU-WOPDTQHZSA-N 1 3 194.322 1.374 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCCC2)C1 36875078 572229138 /nfs/dbraw/zinc/22/91/38/572229138.db2.gz JHSGSZANGSLLSE-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@H+](C)C[C@@H](N)CC 36872056 572229527 /nfs/dbraw/zinc/22/95/27/572229527.db2.gz SVHKJGQTEBQJRB-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[N@@H+](C)C[C@@H](N)CC 36872056 572229529 /nfs/dbraw/zinc/22/95/29/572229529.db2.gz SVHKJGQTEBQJRB-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO NCCC[NH2+]CC[C@H]1C[C@@H]1C1CC1 711990992 572229660 /nfs/dbraw/zinc/22/96/60/572229660.db2.gz ZYQFMJGGILIXAU-WDEREUQCSA-N 1 3 182.311 1.361 10 0 ADAEHO CC[C@@]1(C)C[C@@H]1[NH2+]CC(C)(C)CN 397320627 572232289 /nfs/dbraw/zinc/23/22/89/572232289.db2.gz AROWJRLWNPUMLE-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@]1(C)C[C@@H]1NCC(C)(C)C[NH3+] 397320627 572232290 /nfs/dbraw/zinc/23/22/90/572232290.db2.gz AROWJRLWNPUMLE-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[NH2+]C[C@H](C)CN(C)C[C@@H]1C[C@@H]1C 70531630 572234181 /nfs/dbraw/zinc/23/41/81/572234181.db2.gz PWVDRTCJRKMNRJ-SRVKXCTJSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 70531630 572234184 /nfs/dbraw/zinc/23/41/84/572234184.db2.gz PWVDRTCJRKMNRJ-SRVKXCTJSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 70531630 572234187 /nfs/dbraw/zinc/23/41/87/572234187.db2.gz PWVDRTCJRKMNRJ-SRVKXCTJSA-N 1 3 198.354 1.820 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)CC 37078284 572234558 /nfs/dbraw/zinc/23/45/58/572234558.db2.gz PMCQHXXMCNWOPS-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)CC 37078284 572234559 /nfs/dbraw/zinc/23/45/59/572234559.db2.gz PMCQHXXMCNWOPS-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@@H](CC[NH3+])N(C)CC 37078284 572234561 /nfs/dbraw/zinc/23/45/61/572234561.db2.gz PMCQHXXMCNWOPS-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)CC 37078285 572234716 /nfs/dbraw/zinc/23/47/16/572234716.db2.gz PMCQHXXMCNWOPS-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)CC 37078285 572234718 /nfs/dbraw/zinc/23/47/18/572234718.db2.gz PMCQHXXMCNWOPS-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@H](CC[NH3+])N(C)CC 37078285 572234721 /nfs/dbraw/zinc/23/47/21/572234721.db2.gz PMCQHXXMCNWOPS-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN(C)C[C@@H]1C[C@@H]1C 70531629 572234745 /nfs/dbraw/zinc/23/47/45/572234745.db2.gz PWVDRTCJRKMNRJ-WOPDTQHZSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 70531629 572234747 /nfs/dbraw/zinc/23/47/47/572234747.db2.gz PWVDRTCJRKMNRJ-WOPDTQHZSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 70531629 572234750 /nfs/dbraw/zinc/23/47/50/572234750.db2.gz PWVDRTCJRKMNRJ-WOPDTQHZSA-N 1 3 198.354 1.820 10 0 ADAEHO CC[C@@H](N)[C@H](C)[N@H+](C)C1CC1 37081074 572235226 /nfs/dbraw/zinc/23/52/26/572235226.db2.gz GPIBJLIHYPUEQX-IONNQARKSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@@H](N)[C@H](C)[N@@H+](C)C1CC1 37081074 572235227 /nfs/dbraw/zinc/23/52/27/572235227.db2.gz GPIBJLIHYPUEQX-IONNQARKSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[N@H+](C)C1CC1 37081072 572235242 /nfs/dbraw/zinc/23/52/42/572235242.db2.gz GPIBJLIHYPUEQX-VXNVDRBHSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[N@@H+](C)C1CC1 37081072 572235244 /nfs/dbraw/zinc/23/52/44/572235244.db2.gz GPIBJLIHYPUEQX-VXNVDRBHSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]1CCC[C@H](N(C)CCC(N)=[NH2+])C1 42493347 572235912 /nfs/dbraw/zinc/23/59/12/572235912.db2.gz JNORXIHLQUBUJY-UWVGGRQHSA-N 1 3 197.326 1.823 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@H+](C)C1CC1 37081073 572235530 /nfs/dbraw/zinc/23/55/30/572235530.db2.gz GPIBJLIHYPUEQX-CBAPKCEASA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@@H+](C)C1CC1 37081073 572235532 /nfs/dbraw/zinc/23/55/32/572235532.db2.gz GPIBJLIHYPUEQX-CBAPKCEASA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@H+](C)C1CC1 37081071 572236039 /nfs/dbraw/zinc/23/60/39/572236039.db2.gz GPIBJLIHYPUEQX-APPZFPTMSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@@H+](C)C1CC1 37081071 572236041 /nfs/dbraw/zinc/23/60/41/572236041.db2.gz GPIBJLIHYPUEQX-APPZFPTMSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@@H]1CCC[C@H](N(C)CCC(N)=[NH2+])C1 42493346 572236207 /nfs/dbraw/zinc/23/62/07/572236207.db2.gz JNORXIHLQUBUJY-ZJUUUORDSA-N 1 3 197.326 1.823 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)[C@H](C)C(C)C 43895440 572236774 /nfs/dbraw/zinc/23/67/74/572236774.db2.gz FJTRWUWLEIVONE-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)[C@H](C)C(C)C 43895440 572236779 /nfs/dbraw/zinc/23/67/79/572236779.db2.gz FJTRWUWLEIVONE-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@@H](NC2CC2)C1 70584380 572236820 /nfs/dbraw/zinc/23/68/20/572236820.db2.gz HDANLFWYNAFFMD-LLVKDONJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[N@H+]1CC[C@@H](NC2CC2)C1 70584380 572236824 /nfs/dbraw/zinc/23/68/24/572236824.db2.gz HDANLFWYNAFFMD-LLVKDONJSA-N 1 3 182.311 1.469 10 0 ADAEHO C1CC(C[N@@H+]2CC[C@@H](NC3CC3)C2)C1 70585039 572236907 /nfs/dbraw/zinc/23/69/07/572236907.db2.gz BMHWTIRTHHPLCR-GFCCVEGCSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC(C[N@H+]2CC[C@@H](NC3CC3)C2)C1 70585039 572236910 /nfs/dbraw/zinc/23/69/10/572236910.db2.gz BMHWTIRTHHPLCR-GFCCVEGCSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1CC[C@@H](C)N 37913594 572237311 /nfs/dbraw/zinc/23/73/11/572237311.db2.gz YRFNUQXKEYWZEF-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1CC[C@@H](C)N 37913594 572237314 /nfs/dbraw/zinc/23/73/14/572237314.db2.gz YRFNUQXKEYWZEF-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](NC2CC2)C1 70584379 572237333 /nfs/dbraw/zinc/23/73/33/572237333.db2.gz HDANLFWYNAFFMD-NSHDSACASA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](NC2CC2)C1 70584379 572237335 /nfs/dbraw/zinc/23/73/35/572237335.db2.gz HDANLFWYNAFFMD-NSHDSACASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1CC[C@@H](C)N 37913595 572237359 /nfs/dbraw/zinc/23/73/59/572237359.db2.gz YRFNUQXKEYWZEF-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CCC[N@H+]1CC[C@@H](C)N 37913595 572237384 /nfs/dbraw/zinc/23/73/84/572237384.db2.gz YRFNUQXKEYWZEF-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC2CC2)C1 70584301 572237419 /nfs/dbraw/zinc/23/74/19/572237419.db2.gz UVILXZQXEICOOF-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](NC2CC2)C1 70584301 572237423 /nfs/dbraw/zinc/23/74/23/572237423.db2.gz UVILXZQXEICOOF-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CCCN1CCC[NH2+]C1CC1 37911240 572237932 /nfs/dbraw/zinc/23/79/32/572237932.db2.gz JXSSSLHLSVAIFA-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1CCCNC1CC1 37911240 572237934 /nfs/dbraw/zinc/23/79/34/572237934.db2.gz JXSSSLHLSVAIFA-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCC[N@H+]1CCCNC1CC1 37911240 572237935 /nfs/dbraw/zinc/23/79/35/572237935.db2.gz JXSSSLHLSVAIFA-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C1CC(C[N@@H+]2CC[C@H](NC3CC3)C2)C1 70585038 572238330 /nfs/dbraw/zinc/23/83/30/572238330.db2.gz BMHWTIRTHHPLCR-LBPRGKRZSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC(C[N@H+]2CC[C@H](NC3CC3)C2)C1 70585038 572238333 /nfs/dbraw/zinc/23/83/33/572238333.db2.gz BMHWTIRTHHPLCR-LBPRGKRZSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CCC[C@@H]1C 37910082 572238335 /nfs/dbraw/zinc/23/83/35/572238335.db2.gz CVWBJNYMICOEBB-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CCC[C@@H]1C 37910082 572238338 /nfs/dbraw/zinc/23/83/38/572238338.db2.gz CVWBJNYMICOEBB-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H](C)CCN 37913267 572239681 /nfs/dbraw/zinc/23/96/81/572239681.db2.gz LLQAANFBYISBCY-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[NH2+]CCCN1CCC[C@@H]1C 37911221 572239029 /nfs/dbraw/zinc/23/90/29/572239029.db2.gz VYUHZUFBIXWRIK-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1CN 37910130 572239058 /nfs/dbraw/zinc/23/90/58/572239058.db2.gz NVTJDMPTFVORPE-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1CN 37910130 572239060 /nfs/dbraw/zinc/23/90/60/572239060.db2.gz NVTJDMPTFVORPE-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1C[C@@H](C)CN 37913210 572239116 /nfs/dbraw/zinc/23/91/16/572239116.db2.gz NWQLGOKDXSEJON-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1CCC[N@H+]1C[C@@H](C)CN 37913210 572239118 /nfs/dbraw/zinc/23/91/18/572239118.db2.gz NWQLGOKDXSEJON-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[NH2+]CCCN1CCC[C@H]1C 37911220 572239544 /nfs/dbraw/zinc/23/95/44/572239544.db2.gz VYUHZUFBIXWRIK-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@@H](C)CN 37913209 572239611 /nfs/dbraw/zinc/23/96/11/572239611.db2.gz NWQLGOKDXSEJON-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@@H](C)CN 37913209 572239612 /nfs/dbraw/zinc/23/96/12/572239612.db2.gz NWQLGOKDXSEJON-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CNC[C@H](C)C[NH2+]C[C@@H]1CC1(C)C 234392771 572239670 /nfs/dbraw/zinc/23/96/70/572239670.db2.gz WZPCEZXTCPWNIA-UWVGGRQHSA-N 1 3 184.327 1.478 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H](C)CCN 37913267 572239679 /nfs/dbraw/zinc/23/96/79/572239679.db2.gz LLQAANFBYISBCY-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](NC)[C@H](C)[N@@H+]1CC[C@H](C)C1 43908097 572240038 /nfs/dbraw/zinc/24/00/38/572240038.db2.gz PNVKGFAYEOIYEG-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H](C)CCN1CC[C@H](C)C1 43909024 572239835 /nfs/dbraw/zinc/23/98/35/572239835.db2.gz RLJQIZBVHASMSI-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](C[N@@H+]1CC[C@H](C)C1)C(C)(C)C 43908033 572241098 /nfs/dbraw/zinc/24/10/98/572241098.db2.gz ACQKWNQGXUYMRL-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@@H](C[N@H+]1CC[C@H](C)C1)C(C)(C)C 43908033 572241099 /nfs/dbraw/zinc/24/10/99/572241099.db2.gz ACQKWNQGXUYMRL-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](NC)[C@@H](C)[N@@H+]1CC[C@H](C)C1 43908090 572241170 /nfs/dbraw/zinc/24/11/70/572241170.db2.gz PNVKGFAYEOIYEG-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](NC)[C@@H](C)[N@H+]1CC[C@H](C)C1 43908090 572241171 /nfs/dbraw/zinc/24/11/71/572241171.db2.gz PNVKGFAYEOIYEG-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCC[C@H](C)C1 43811778 572241219 /nfs/dbraw/zinc/24/12/19/572241219.db2.gz CXKFEACAFYHLJL-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCC[C@H](C)C1 43811778 572241222 /nfs/dbraw/zinc/24/12/22/572241222.db2.gz CXKFEACAFYHLJL-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCC[C@H](C)C1 43811778 572241224 /nfs/dbraw/zinc/24/12/24/572241224.db2.gz CXKFEACAFYHLJL-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCC[C@H]1C 43902810 572241344 /nfs/dbraw/zinc/24/13/44/572241344.db2.gz DDLTVFIWTSBLRB-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCC[C@H]1C 43902810 572241345 /nfs/dbraw/zinc/24/13/45/572241345.db2.gz DDLTVFIWTSBLRB-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCC[C@H]1C 43902810 572241347 /nfs/dbraw/zinc/24/13/47/572241347.db2.gz DDLTVFIWTSBLRB-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CN[C@H](C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 43804812 572241461 /nfs/dbraw/zinc/24/14/61/572241461.db2.gz MOWNECWZGCVPEB-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCCC[C@H]1C 43809957 572241469 /nfs/dbraw/zinc/24/14/69/572241469.db2.gz CYVZCUGERIATOS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCCC[C@H]1C 43809957 572241471 /nfs/dbraw/zinc/24/14/71/572241471.db2.gz CYVZCUGERIATOS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCCC[C@H]1C 43809957 572241473 /nfs/dbraw/zinc/24/14/73/572241473.db2.gz CYVZCUGERIATOS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1CC[C@H](C)C1 43909020 572241540 /nfs/dbraw/zinc/24/15/40/572241540.db2.gz RLJQIZBVHASMSI-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CCCC[C@@H]1CN 37925106 572242284 /nfs/dbraw/zinc/24/22/84/572242284.db2.gz KTZIKZCJDOHVQL-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CCCC[C@@H]1CN 37925106 572242285 /nfs/dbraw/zinc/24/22/85/572242285.db2.gz KTZIKZCJDOHVQL-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[NH2+][C@H](C)CCN1CCC[C@H]1C 250284698 572242301 /nfs/dbraw/zinc/24/23/01/572242301.db2.gz LGZFPBFMHKFLSS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@@H]([NH3+])[C@@H]1CC 712033890 572242510 /nfs/dbraw/zinc/24/25/10/572242510.db2.gz SDQMAQAJQBDSKM-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[N@H+](CC1CC1)CC1(N)CCCC1 37925758 572242851 /nfs/dbraw/zinc/24/28/51/572242851.db2.gz UTWPWFWYBYKHAG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[N@@H+](CC1CC1)CC1(N)CCCC1 37925758 572242852 /nfs/dbraw/zinc/24/28/52/572242852.db2.gz UTWPWFWYBYKHAG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[NH2+]CCCN(C)CC1CC1 37925747 572242858 /nfs/dbraw/zinc/24/28/58/572242858.db2.gz BJSSSTPQVWWMFF-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@H]([NH3+])[C@H]1CC 712033893 572242952 /nfs/dbraw/zinc/24/29/52/572242952.db2.gz SDQMAQAJQBDSKM-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCN1CC[C@@H]([NH3+])[C@H]1CC 712034567 572243054 /nfs/dbraw/zinc/24/30/54/572243054.db2.gz SDQMAQAJQBDSKM-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC1(CN[C@H](C)C[NH2+]C)CC1 393370036 572243116 /nfs/dbraw/zinc/24/31/16/572243116.db2.gz LGICVVMYGBSJHE-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 44527964 572243210 /nfs/dbraw/zinc/24/32/10/572243210.db2.gz LHJKDJSLYAIYHJ-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CCC[C@H](CN)C1 44527964 572243212 /nfs/dbraw/zinc/24/32/12/572243212.db2.gz LHJKDJSLYAIYHJ-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CC[NH3+])N(C)CC1CC1 37925136 572243330 /nfs/dbraw/zinc/24/33/30/572243330.db2.gz GNHOXHDATBZDOX-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CCN)[N@H+](C)CC1CC1 37925136 572243328 /nfs/dbraw/zinc/24/33/28/572243328.db2.gz GNHOXHDATBZDOX-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)CC1CC1 37925136 572243329 /nfs/dbraw/zinc/24/33/29/572243329.db2.gz GNHOXHDATBZDOX-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC1(CN[C@@H](C)C[NH2+]C)CC1 393370037 572243416 /nfs/dbraw/zinc/24/34/16/572243416.db2.gz LGICVVMYGBSJHE-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)CC1CC1 37925135 572243502 /nfs/dbraw/zinc/24/35/02/572243502.db2.gz GNHOXHDATBZDOX-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)CC1CC1 37925135 572243505 /nfs/dbraw/zinc/24/35/05/572243505.db2.gz GNHOXHDATBZDOX-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)CC1CC1 37925135 572243508 /nfs/dbraw/zinc/24/35/08/572243508.db2.gz GNHOXHDATBZDOX-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CCC[C@@H]1CN 37925123 572243604 /nfs/dbraw/zinc/24/36/04/572243604.db2.gz ITQIFEPINYEJER-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1CN 37925123 572243605 /nfs/dbraw/zinc/24/36/05/572243605.db2.gz ITQIFEPINYEJER-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+](CC1CC1)CC1(N)CCCCC1 37925728 572243620 /nfs/dbraw/zinc/24/36/20/572243620.db2.gz FPPRXFSOSUASDO-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[N@@H+](CC1CC1)CC1(N)CCCCC1 37925728 572243621 /nfs/dbraw/zinc/24/36/21/572243621.db2.gz FPPRXFSOSUASDO-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CCC[C@H](CN)C1 44527965 572243635 /nfs/dbraw/zinc/24/36/35/572243635.db2.gz LHJKDJSLYAIYHJ-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C)[N@H+]1CCC[C@H](CN)C1 44527965 572243636 /nfs/dbraw/zinc/24/36/36/572243636.db2.gz LHJKDJSLYAIYHJ-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCN1CC[C@H]([NH3+])[C@@H]1CC 712034550 572243684 /nfs/dbraw/zinc/24/36/84/572243684.db2.gz SDQMAQAJQBDSKM-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CCCC[C@@H]1CN 37925107 572243889 /nfs/dbraw/zinc/24/38/89/572243889.db2.gz KTZIKZCJDOHVQL-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1CN 37925107 572243890 /nfs/dbraw/zinc/24/38/90/572243890.db2.gz KTZIKZCJDOHVQL-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1CN 37925122 572243907 /nfs/dbraw/zinc/24/39/07/572243907.db2.gz ITQIFEPINYEJER-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1CN 37925122 572243908 /nfs/dbraw/zinc/24/39/08/572243908.db2.gz ITQIFEPINYEJER-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1CCC[C@H]1C 250284702 572243947 /nfs/dbraw/zinc/24/39/47/572243947.db2.gz LGZFPBFMHKFLSS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CC[C@]2(C1)[C@@H]([NH3+])CCN2C 712034389 572244927 /nfs/dbraw/zinc/24/49/27/572244927.db2.gz UZIGIWUVKNVVTE-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[C@@]2(C1)[C@@H]([NH3+])CCN2C 712034382 572245438 /nfs/dbraw/zinc/24/54/38/572245438.db2.gz UZIGIWUVKNVVTE-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCCN1CC[C@H]([NH2+]C)C[C@@H]1C 49707361 572249139 /nfs/dbraw/zinc/24/91/39/572249139.db2.gz ZMBUMMBAJXXVJW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](NC)C[C@@H]1C 49707361 572249140 /nfs/dbraw/zinc/24/91/40/572249140.db2.gz ZMBUMMBAJXXVJW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+]1CC[C@H](NC)C[C@@H]1C 49707361 572249141 /nfs/dbraw/zinc/24/91/41/572249141.db2.gz ZMBUMMBAJXXVJW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CC[C@]2(C1)[C@H]([NH3+])CCN2C 712034376 572246183 /nfs/dbraw/zinc/24/61/83/572246183.db2.gz UZIGIWUVKNVVTE-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN(CC)CC1(C[NH3+])CC1 49804630 572249117 /nfs/dbraw/zinc/24/91/17/572249117.db2.gz DPTWXEFOJPNHFM-UHFFFAOYSA-N 1 3 156.273 1.067 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]C)C[C@@H]1C 49709128 572249063 /nfs/dbraw/zinc/24/90/63/572249063.db2.gz QUWHIUQMALKIPS-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](NC)C[C@@H]1C 49709128 572249065 /nfs/dbraw/zinc/24/90/65/572249065.db2.gz QUWHIUQMALKIPS-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+]1CC[C@@H](NC)C[C@@H]1C 49709128 572249067 /nfs/dbraw/zinc/24/90/67/572249067.db2.gz QUWHIUQMALKIPS-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)[C@H](C)C1 49709109 572249226 /nfs/dbraw/zinc/24/92/26/572249226.db2.gz NJVSPFQXNSLTQE-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@H]1CCN(CCC(C)C)C[C@H]1C 49707371 572249370 /nfs/dbraw/zinc/24/93/70/572249370.db2.gz LNUDAJQUXAYHLM-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@H]1CCN(CC2CC2)[C@H](C)C1 49694116 572249388 /nfs/dbraw/zinc/24/93/88/572249388.db2.gz HZBNEWZJPZJWDW-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]CC)C[C@@H]1C 49709131 572249417 /nfs/dbraw/zinc/24/94/17/572249417.db2.gz YUOAGHMPGPSCHW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC2CC2)[C@H](C)C1 49694115 572249803 /nfs/dbraw/zinc/24/98/03/572249803.db2.gz HZBNEWZJPZJWDW-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCN1CC[C@@H]([NH2+]C)[C@H](C)C1 49707352 572249970 /nfs/dbraw/zinc/24/99/70/572249970.db2.gz NUISPPZIGDTQAU-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]CC)[C@H](C)C1 49709114 572250101 /nfs/dbraw/zinc/25/01/01/572250101.db2.gz JVXIYOBRSFYOSI-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)C[C@@H]1C 49709126 572250156 /nfs/dbraw/zinc/25/01/56/572250156.db2.gz QUWHIUQMALKIPS-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+]1CC[C@H](NC)C[C@@H]1C 49709126 572250158 /nfs/dbraw/zinc/25/01/58/572250158.db2.gz QUWHIUQMALKIPS-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+]1CC[C@H](NC)C[C@@H]1C 49709126 572250160 /nfs/dbraw/zinc/25/01/60/572250160.db2.gz QUWHIUQMALKIPS-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCCN1CC[C@H]([NH2+]C)[C@H](C)C1 49707351 572250248 /nfs/dbraw/zinc/25/02/48/572250248.db2.gz NUISPPZIGDTQAU-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@H]([NH2+]CC)C[C@@H]1C 49709130 572250256 /nfs/dbraw/zinc/25/02/56/572250256.db2.gz YUOAGHMPGPSCHW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCCN1CC[C@@H]([NH2+]C)C[C@@H]1C 49707362 572250416 /nfs/dbraw/zinc/25/04/16/572250416.db2.gz ZMBUMMBAJXXVJW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+]1CC[C@@H](NC)C[C@@H]1C 49707362 572250417 /nfs/dbraw/zinc/25/04/17/572250417.db2.gz ZMBUMMBAJXXVJW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+]1CC[C@@H](NC)C[C@@H]1C 49707362 572250418 /nfs/dbraw/zinc/25/04/18/572250418.db2.gz ZMBUMMBAJXXVJW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@H]([NH2+]CC)[C@H](C)C1 49709112 572250450 /nfs/dbraw/zinc/25/04/50/572250450.db2.gz JVXIYOBRSFYOSI-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]C)[C@H](C)C1 49709111 572250618 /nfs/dbraw/zinc/25/06/18/572250618.db2.gz NJVSPFQXNSLTQE-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@H](CC)[N@@H+]1CC[C@H](CN)C1 50405470 572250823 /nfs/dbraw/zinc/25/08/23/572250823.db2.gz UJYGKWHBWKNDQH-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CC)[N@H+]1CC[C@H](CN)C1 50405470 572250825 /nfs/dbraw/zinc/25/08/25/572250825.db2.gz UJYGKWHBWKNDQH-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CC)[N@@H+]1CC[C@H](CN)C1 50405468 572252000 /nfs/dbraw/zinc/25/20/00/572252000.db2.gz UJYGKWHBWKNDQH-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CC)[N@H+]1CC[C@H](CN)C1 50405468 572252001 /nfs/dbraw/zinc/25/20/01/572252001.db2.gz UJYGKWHBWKNDQH-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CN[C@@H]1CC[N@H+](C)[C@]12CCC[C@@H](C)C2 712065149 572252079 /nfs/dbraw/zinc/25/20/79/572252079.db2.gz FPAPHFXJCLUZAC-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C)[C@]12CCC[C@@H](C)C2 712065149 572252080 /nfs/dbraw/zinc/25/20/80/572252080.db2.gz FPAPHFXJCLUZAC-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C[N@H+]1CCC[C@H]1CC)NC 50179405 572252149 /nfs/dbraw/zinc/25/21/49/572252149.db2.gz CENWXPVNNPRHHH-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C[N@@H+]1CCC[C@H]1CC)NC 50179405 572252148 /nfs/dbraw/zinc/25/21/48/572252148.db2.gz CENWXPVNNPRHHH-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[NH2+]CCC1(N)CCC1 86853910 572328253 /nfs/dbraw/zinc/32/82/53/572328253.db2.gz WLOFVCSOFXUWJZ-UHFFFAOYSA-N 1 3 170.300 1.648 10 0 ADAEHO CC1(C)C[C@H]1NCCC1([NH3+])CCC1 86854015 572327316 /nfs/dbraw/zinc/32/73/16/572327316.db2.gz KOTLXLJHFYLSMW-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)CCC1(N)CCC1 86853869 572327330 /nfs/dbraw/zinc/32/73/30/572327330.db2.gz GWLZPNQDRLXERU-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)CCC1(N)CCC1 86853869 572327333 /nfs/dbraw/zinc/32/73/33/572327333.db2.gz GWLZPNQDRLXERU-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](C1CC1)N(C)CCC1([NH3+])CCC1 86853869 572327336 /nfs/dbraw/zinc/32/73/36/572327336.db2.gz GWLZPNQDRLXERU-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CCC1(N)CCC1 86853843 572328292 /nfs/dbraw/zinc/32/82/92/572328292.db2.gz CQUUQPVMDDPYKL-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CCC1(N)CCC1 86853843 572328296 /nfs/dbraw/zinc/32/82/96/572328296.db2.gz CQUUQPVMDDPYKL-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)N(C)CCC1([NH3+])CCC1 86853843 572328299 /nfs/dbraw/zinc/32/82/99/572328299.db2.gz CQUUQPVMDDPYKL-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO [NH3+]C1(CCNC[C@@H]2CCCO2)CCC1 86853913 572328313 /nfs/dbraw/zinc/32/83/13/572328313.db2.gz RVOMOWZKSNNMSF-JTQLQIEISA-N 1 3 198.310 1.027 10 0 ADAEHO CC(C)N(C)CCC1([NH3+])CCC1 86853812 572328366 /nfs/dbraw/zinc/32/83/66/572328366.db2.gz IXAYRKRJQKRTDJ-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO NC1(CC[NH2+]CC2CC2)CCC1 86853908 572326301 /nfs/dbraw/zinc/32/63/01/572326301.db2.gz PTVREOBWZCDSCD-UHFFFAOYSA-N 1 3 168.284 1.258 10 0 ADAEHO CC[N@H+](CCC1(N)CCC1)C(C)C 86853834 572328515 /nfs/dbraw/zinc/32/85/15/572328515.db2.gz HXDKIBOERMZRDR-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@@H+](CCC1(N)CCC1)C(C)C 86853834 572328517 /nfs/dbraw/zinc/32/85/17/572328517.db2.gz HXDKIBOERMZRDR-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CCN(CCC1([NH3+])CCC1)C(C)C 86853834 572328518 /nfs/dbraw/zinc/32/85/18/572328518.db2.gz HXDKIBOERMZRDR-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)CCC1([NH3+])CCC1 86854093 572326395 /nfs/dbraw/zinc/32/63/95/572326395.db2.gz UTFJKLZSRHSHGU-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(C)CC(C)(C)CNC1=[NH+]CCC1 88225469 572326489 /nfs/dbraw/zinc/32/64/89/572326489.db2.gz VJYDHXVSHSHUAP-UHFFFAOYSA-N 1 3 197.326 1.356 10 0 ADAEHO NC1(CC[NH2+]C2CCC2)CCC1 86854038 572326515 /nfs/dbraw/zinc/32/65/15/572326515.db2.gz DVKYCEGRRKIKEL-UHFFFAOYSA-N 1 3 168.284 1.400 10 0 ADAEHO [NH3+]C1(CCNC2CCC2)CCC1 86854038 572326518 /nfs/dbraw/zinc/32/65/18/572326518.db2.gz DVKYCEGRRKIKEL-UHFFFAOYSA-N 1 3 168.284 1.400 10 0 ADAEHO CC1(C)C[C@@H]1NCCC1([NH3+])CCC1 86854014 572326612 /nfs/dbraw/zinc/32/66/12/572326612.db2.gz KOTLXLJHFYLSMW-VIFPVBQESA-N 1 3 182.311 1.646 10 0 ADAEHO NC1(CC[NH2+]C2CCCC2)CCC1 86853905 572326688 /nfs/dbraw/zinc/32/66/88/572326688.db2.gz ULSDAUFMJAMWFE-UHFFFAOYSA-N 1 3 182.311 1.790 10 0 ADAEHO CC[N@H+](CCC1(N)CCC1)CC1CC1 86854096 572326722 /nfs/dbraw/zinc/32/67/22/572326722.db2.gz UFBGPNIJYDWPQF-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[N@@H+](CCC1(N)CCC1)CC1CC1 86854096 572326725 /nfs/dbraw/zinc/32/67/25/572326725.db2.gz UFBGPNIJYDWPQF-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CCN(CCC1([NH3+])CCC1)CC1CC1 86854096 572326728 /nfs/dbraw/zinc/32/67/28/572326728.db2.gz UFBGPNIJYDWPQF-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)CCC1([NH3+])CCC1 86854095 572326816 /nfs/dbraw/zinc/32/68/16/572326816.db2.gz UTFJKLZSRHSHGU-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCN(C)CCC1([NH3+])CCC1 86853841 572327027 /nfs/dbraw/zinc/32/70/27/572327027.db2.gz KMQMKOZATVRYDF-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC(C)(C)[NH2+]CCC1(N)CCC1 86853898 572327036 /nfs/dbraw/zinc/32/70/36/572327036.db2.gz DTYNAQZLFDOAJH-UHFFFAOYSA-N 1 3 170.300 1.646 10 0 ADAEHO CC[C@@H](C)[NH2+]CCC1(N)CCC1 86853901 572327675 /nfs/dbraw/zinc/32/76/75/572327675.db2.gz ZCEJUERTPSFQQH-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO CC(C)C[NH2+]CCC1(N)CCC1 86853904 572327816 /nfs/dbraw/zinc/32/78/16/572327816.db2.gz DQJJJNKWKHUJMZ-UHFFFAOYSA-N 1 3 170.300 1.504 10 0 ADAEHO CN(C)CCCNC1=[NH+]CCCCC1 88225364 572327824 /nfs/dbraw/zinc/32/78/24/572327824.db2.gz FTHZRDJKMKJBPX-UHFFFAOYSA-N 1 3 197.326 1.500 10 0 ADAEHO CN(CCC1([NH3+])CCC1)CC1CC1 86853892 572327968 /nfs/dbraw/zinc/32/79/68/572327968.db2.gz BKEWGFQDMJRPJV-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)CCC1(N)CCC1 86853868 572328131 /nfs/dbraw/zinc/32/81/31/572328131.db2.gz GWLZPNQDRLXERU-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)CCC1(N)CCC1 86853868 572328133 /nfs/dbraw/zinc/32/81/33/572328133.db2.gz GWLZPNQDRLXERU-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C1CC1)N(C)CCC1([NH3+])CCC1 86853868 572328136 /nfs/dbraw/zinc/32/81/36/572328136.db2.gz GWLZPNQDRLXERU-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H](C)[NH2+]CCC1(N)CCC1 86853902 572328161 /nfs/dbraw/zinc/32/81/61/572328161.db2.gz ZCEJUERTPSFQQH-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO CN(CCC1([NH3+])CCC1)C1CC1 86853833 572328211 /nfs/dbraw/zinc/32/82/11/572328211.db2.gz UFXSOIYXYUYZFL-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@@H](C)C[NH2+]CCC1(N)CCC1 86854047 572328388 /nfs/dbraw/zinc/32/83/88/572328388.db2.gz KZHIXRCTNNLGRD-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO CCCCN(C)CCC1([NH3+])CCC1 86853809 572328410 /nfs/dbraw/zinc/32/84/10/572328410.db2.gz JXSKCMKSXUXMQI-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](N)C2)C1 234966365 572328458 /nfs/dbraw/zinc/32/84/58/572328458.db2.gz LDLOYVFAWOWIPZ-CHWFTXMASA-N 1 3 198.310 1.023 10 0 ADAEHO CCC[NH2+]CCC1(N)CCC1 86853897 572328471 /nfs/dbraw/zinc/32/84/71/572328471.db2.gz DYCQIGXKLMLANF-UHFFFAOYSA-N 1 3 156.273 1.258 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)CCC1([NH3+])CCC1 86854094 572328563 /nfs/dbraw/zinc/32/85/63/572328563.db2.gz UTFJKLZSRHSHGU-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C)[N@H+](C)CCC1(N)CCC1 86853844 572328652 /nfs/dbraw/zinc/32/86/52/572328652.db2.gz CQUUQPVMDDPYKL-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CCC1(N)CCC1 86853844 572328656 /nfs/dbraw/zinc/32/86/56/572328656.db2.gz CQUUQPVMDDPYKL-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)N(C)CCC1([NH3+])CCC1 86853844 572328660 /nfs/dbraw/zinc/32/86/60/572328660.db2.gz CQUUQPVMDDPYKL-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO [NH3+]C1(CCNC[C@H]2CCCO2)CCC1 86853912 572328754 /nfs/dbraw/zinc/32/87/54/572328754.db2.gz RVOMOWZKSNNMSF-SNVBAGLBSA-N 1 3 198.310 1.027 10 0 ADAEHO CC[C@H](C)C[NH2+]CCC1(N)CCC1 86854048 572328876 /nfs/dbraw/zinc/32/88/76/572328876.db2.gz KZHIXRCTNNLGRD-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CC(C)(C)C[NH2+]CCC1(N)CCC1 86853915 572328903 /nfs/dbraw/zinc/32/89/03/572328903.db2.gz HMPZWCLOUNUEBH-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CCC[N@H+](CC)CCC1(N)CCC1 86853838 572328926 /nfs/dbraw/zinc/32/89/26/572328926.db2.gz RBOXRQJBJKOHNT-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCC[N@@H+](CC)CCC1(N)CCC1 86853838 572328929 /nfs/dbraw/zinc/32/89/29/572328929.db2.gz RBOXRQJBJKOHNT-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCN(CC)CCC1([NH3+])CCC1 86853838 572328932 /nfs/dbraw/zinc/32/89/32/572328932.db2.gz RBOXRQJBJKOHNT-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)CCC1([NH3+])CCC1 86854092 572329035 /nfs/dbraw/zinc/32/90/35/572329035.db2.gz UTFJKLZSRHSHGU-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO NC1(CC[NH2+]CCC2CC2)CCC1 86854132 572329333 /nfs/dbraw/zinc/32/93/33/572329333.db2.gz PLXXBBOURBIIFX-UHFFFAOYSA-N 1 3 182.311 1.648 10 0 ADAEHO Nc1ccncc1-c1ccc(C[NH3+])cc1 238626644 572330244 /nfs/dbraw/zinc/33/02/44/572330244.db2.gz KMFOOQOJFWWDQZ-UHFFFAOYSA-N 1 3 199.257 1.790 10 0 ADAEHO CCCC[NH2+][C@H](CC)c1cnc(N)[nH]1 238204728 572330719 /nfs/dbraw/zinc/33/07/19/572330719.db2.gz RSCXSDWMXGQZJO-MRVPVSSYSA-N 1 3 196.298 1.833 10 0 ADAEHO CC(C)C[C@](C)([NH3+])CCN(C)C 107163871 572331015 /nfs/dbraw/zinc/33/10/15/572331015.db2.gz LWCQWBMRNKKRTI-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO Nc1ccnc(-c2ccc(C[NH3+])cc2)c1 238625044 572331098 /nfs/dbraw/zinc/33/10/98/572331098.db2.gz FAHVHVUJFAYWJG-UHFFFAOYSA-N 1 3 199.257 1.790 10 0 ADAEHO C[NH2+]Cc1ccn2c(C)ncc2c1 107164623 572331246 /nfs/dbraw/zinc/33/12/46/572331246.db2.gz XCGOAYBPXMLPHQ-UHFFFAOYSA-N 1 3 175.235 1.362 10 0 ADAEHO CCN(C)C[C@H]1CCC(C)(C)[C@@H]1[NH2+]C 86871219 572333129 /nfs/dbraw/zinc/33/31/29/572333129.db2.gz IYYIAEYUXILMRT-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@H]1[C@@H](CN(C)C)CCC1(C)C 86871194 572333147 /nfs/dbraw/zinc/33/31/47/572333147.db2.gz FKILYJLTAHXSAJ-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C=C/C=C\CC[C@@H](N)C[NH+]1CCCC1 713677494 572331915 /nfs/dbraw/zinc/33/19/15/572331915.db2.gz HTTNPLLDWPIIJO-VSQXVHSFSA-N 1 3 194.322 1.932 10 0 ADAEHO CC[NH2+][C@@H]1[C@H](CN(C)C)CCC1(C)C 86871189 572333035 /nfs/dbraw/zinc/33/30/35/572333035.db2.gz FKILYJLTAHXSAJ-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@@H]1[C@@H](CN(C)C)CCC1(C)C 86871193 572333209 /nfs/dbraw/zinc/33/32/09/572333209.db2.gz FKILYJLTAHXSAJ-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@]1(C)[C@H](CN)CC[N@@H+]1C 107163198 572333363 /nfs/dbraw/zinc/33/33/63/572333363.db2.gz JLCLIQBALPACTR-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@]1(C)[C@H](CN)CC[N@H+]1C 107163198 572333380 /nfs/dbraw/zinc/33/33/80/572333380.db2.gz JLCLIQBALPACTR-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CCCN[C@]1(C[NH3+])CS[C@H](C)C1 86936785 572336973 /nfs/dbraw/zinc/33/69/73/572336973.db2.gz YNZRRDRNBCUTRZ-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 236319000 572334721 /nfs/dbraw/zinc/33/47/21/572334721.db2.gz MJQFMSAFYUVOJK-QWRGUYRKSA-N 1 3 194.322 1.646 10 0 ADAEHO Nc1ccncc1-c1cccc(C[NH3+])c1 238631771 572335064 /nfs/dbraw/zinc/33/50/64/572335064.db2.gz SPDYYWDAOLFDAR-UHFFFAOYSA-N 1 3 199.257 1.790 10 0 ADAEHO Nc1ccnc(-c2cccc(C[NH3+])c2)c1 238631304 572335287 /nfs/dbraw/zinc/33/52/87/572335287.db2.gz LZMCHTBTIPLYNU-UHFFFAOYSA-N 1 3 199.257 1.790 10 0 ADAEHO NCC[C@H]([NH3+])C1CCCCC1 60169769 572335782 /nfs/dbraw/zinc/33/57/82/572335782.db2.gz NAHSJIQXYWGMJN-VIFPVBQESA-N 1 3 156.273 1.243 10 0 ADAEHO C[C@@H]1SCCC[C@@H]1[NH2+]CCCN 86943864 572336780 /nfs/dbraw/zinc/33/67/80/572336780.db2.gz XRESJRUNDIMBTK-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO CCCN[C@]1(C[NH3+])CS[C@@H](C)C1 86936783 572336760 /nfs/dbraw/zinc/33/67/60/572336760.db2.gz YNZRRDRNBCUTRZ-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO CCCN[C@@]1(C[NH3+])CS[C@@H](C)C1 86936782 572339115 /nfs/dbraw/zinc/33/91/15/572339115.db2.gz YNZRRDRNBCUTRZ-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@H]1SCCC[C@H]1[NH2+]CCCN 86943858 572337355 /nfs/dbraw/zinc/33/73/55/572337355.db2.gz XRESJRUNDIMBTK-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO CCC[C@H](C[NH3+])Nc1ccncc1 83568653 572337401 /nfs/dbraw/zinc/33/74/01/572337401.db2.gz SGWGOWBWWKVTQY-SNVBAGLBSA-N 1 3 179.267 1.621 10 0 ADAEHO CC(C)[C@H]([NH3+])CNC1CCC1 52212346 572337441 /nfs/dbraw/zinc/33/74/41/572337441.db2.gz YKLLEOISBYMTGI-SECBINFHSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)[C@@H]([NH3+])CNC1CCC1 52212349 572337944 /nfs/dbraw/zinc/33/79/44/572337944.db2.gz YKLLEOISBYMTGI-VIFPVBQESA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)C(CN)(C[NH3+])c1ccccc1 238208488 572337978 /nfs/dbraw/zinc/33/79/78/572337978.db2.gz YVSZFLLSBQSJKJ-UHFFFAOYSA-N 1 3 192.306 1.498 10 0 ADAEHO CCC[C@@H](C[NH3+])Nc1ccncc1 83568651 572338053 /nfs/dbraw/zinc/33/80/53/572338053.db2.gz SGWGOWBWWKVTQY-JTQLQIEISA-N 1 3 179.267 1.621 10 0 ADAEHO N[C@H](C[NH3+])C/C=C\c1ccccc1 307981456 572338531 /nfs/dbraw/zinc/33/85/31/572338531.db2.gz CJEPOHRLGMZCFJ-IBHLPDHGSA-N 1 3 176.263 1.376 10 0 ADAEHO NC[C@@H](C[NH2+]CCCF)CC1CC1 404843322 572338346 /nfs/dbraw/zinc/33/83/46/572338346.db2.gz LXAZDHLEWWTYSB-JTQLQIEISA-N 1 3 188.290 1.311 10 0 ADAEHO N[C@@H](C[NH3+])C/C=C\c1ccccc1 307981457 572338368 /nfs/dbraw/zinc/33/83/68/572338368.db2.gz CJEPOHRLGMZCFJ-MEQVVJDKSA-N 1 3 176.263 1.376 10 0 ADAEHO CCCCCC[C@@H]([NH3+])CNCC 238207764 572338418 /nfs/dbraw/zinc/33/84/18/572338418.db2.gz GRYPJJDQUNLHDI-SNVBAGLBSA-N 1 3 172.316 1.894 10 0 ADAEHO CCCN[C@@]1(C[NH3+])CS[C@H](C)C1 86936784 572338596 /nfs/dbraw/zinc/33/85/96/572338596.db2.gz YNZRRDRNBCUTRZ-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@H]1SCCC[C@@H]1[NH2+]CCCN 86943862 572338692 /nfs/dbraw/zinc/33/86/92/572338692.db2.gz XRESJRUNDIMBTK-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H]1SCCC[C@H]1[NH2+]CCCN 86943860 572338981 /nfs/dbraw/zinc/33/89/81/572338981.db2.gz XRESJRUNDIMBTK-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+]([C@H]2C[C@@H]2C)C1 52299006 572340905 /nfs/dbraw/zinc/34/09/05/572340905.db2.gz BWGYBXJUXICSRZ-USZNOCQGSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+]([C@H]2C[C@@H]2C)C1 52299006 572340909 /nfs/dbraw/zinc/34/09/09/572340909.db2.gz BWGYBXJUXICSRZ-USZNOCQGSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](C)CN([C@H]2C[C@@H]2C)C1 52299006 572340912 /nfs/dbraw/zinc/34/09/12/572340912.db2.gz BWGYBXJUXICSRZ-USZNOCQGSA-N 1 3 196.338 1.572 10 0 ADAEHO CCN(CC)C/C=C1\CNC(=[NH2+])S1 307982497 572340225 /nfs/dbraw/zinc/34/02/25/572340225.db2.gz GWSCEKRIGWDYCH-VMPITWQZSA-N 1 3 199.323 1.274 10 0 ADAEHO C[C@@H]1C[C@@H]1NCC1([NH3+])CCCCC1 52294374 572340388 /nfs/dbraw/zinc/34/03/88/572340388.db2.gz RCYALIBXRMAGHU-ZJUUUORDSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+]([C@H]2C[C@H]2C)C1 52299004 572340681 /nfs/dbraw/zinc/34/06/81/572340681.db2.gz BWGYBXJUXICSRZ-KXNHARMFSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+]([C@H]2C[C@H]2C)C1 52299004 572340687 /nfs/dbraw/zinc/34/06/87/572340687.db2.gz BWGYBXJUXICSRZ-KXNHARMFSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](C)CN([C@H]2C[C@H]2C)C1 52299004 572340693 /nfs/dbraw/zinc/34/06/93/572340693.db2.gz BWGYBXJUXICSRZ-KXNHARMFSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)CCN1 52298937 572340791 /nfs/dbraw/zinc/34/07/91/572340791.db2.gz KALJQZCWYBORRV-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CC[N@H+]([C@@H]2C[C@@H]2C)CCN1 52298937 572340793 /nfs/dbraw/zinc/34/07/93/572340793.db2.gz KALJQZCWYBORRV-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@@H]1NCC1([NH3+])CCCCC1 52294375 572340849 /nfs/dbraw/zinc/34/08/49/572340849.db2.gz RCYALIBXRMAGHU-UWVGGRQHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]1C[C@H]1NCC1([NH3+])CCCCC1 52294378 572340969 /nfs/dbraw/zinc/34/09/69/572340969.db2.gz RCYALIBXRMAGHU-NXEZZACHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@H]1C[C@H]1NCC1([NH3+])CCCCC1 52294381 572341008 /nfs/dbraw/zinc/34/10/08/572341008.db2.gz RCYALIBXRMAGHU-VHSXEESVSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@@H]1CCN([C@@H]2C[C@@H]2C)CCC[NH2+]1 52298951 572341143 /nfs/dbraw/zinc/34/11/43/572341143.db2.gz MHLHILRWVDAWEN-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](CN)C[NH2+]CC(C)(C)C 83607503 572343974 /nfs/dbraw/zinc/34/39/74/572343974.db2.gz HFXCSWGSQPSETC-SECBINFHSA-N 1 3 172.316 1.607 10 0 ADAEHO CCC[C@H](C[NH3+])CN[C@@H]1CC1(C)C 83608603 572344029 /nfs/dbraw/zinc/34/40/29/572344029.db2.gz VIJSIFFMGYFKPK-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)C[N@H+](C)C[C@H](CN)C(C)C 83606819 572344293 /nfs/dbraw/zinc/34/42/93/572344293.db2.gz BPYHUFJNLZNBFZ-NSHDSACASA-N 1 3 186.343 1.805 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@H](CN)C(C)C 83606819 572344295 /nfs/dbraw/zinc/34/42/95/572344295.db2.gz BPYHUFJNLZNBFZ-NSHDSACASA-N 1 3 186.343 1.805 10 0 ADAEHO CC/C=C(/C)CN1C[C@H]2C([NH3+])[C@H]2C1 238215597 572342246 /nfs/dbraw/zinc/34/22/46/572342246.db2.gz VIZMSCPALVYLIC-GKUNTRNCSA-N 1 3 180.295 1.232 10 0 ADAEHO CC/C=C(/C)C[N@@H+]1C[C@H]2C(N)[C@H]2C1 238215597 572342248 /nfs/dbraw/zinc/34/22/48/572342248.db2.gz VIZMSCPALVYLIC-GKUNTRNCSA-N 1 3 180.295 1.232 10 0 ADAEHO CC/C=C(/C)C[N@H+]1C[C@H]2C(N)[C@H]2C1 238215597 572342253 /nfs/dbraw/zinc/34/22/53/572342253.db2.gz VIZMSCPALVYLIC-GKUNTRNCSA-N 1 3 180.295 1.232 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)CC(C)C 83606816 572343095 /nfs/dbraw/zinc/34/30/95/572343095.db2.gz HODRKRYNCNMTAT-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+]([C@@H]2C[C@H]2C)C1 52299009 572342515 /nfs/dbraw/zinc/34/25/15/572342515.db2.gz BWGYBXJUXICSRZ-WRWGMCAJSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+]([C@@H]2C[C@H]2C)C1 52299009 572342519 /nfs/dbraw/zinc/34/25/19/572342519.db2.gz BWGYBXJUXICSRZ-WRWGMCAJSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](C)CN([C@@H]2C[C@H]2C)C1 52299009 572342522 /nfs/dbraw/zinc/34/25/22/572342522.db2.gz BWGYBXJUXICSRZ-WRWGMCAJSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+]([C@@H]2C[C@@H]2C)C1 52299011 572342588 /nfs/dbraw/zinc/34/25/88/572342588.db2.gz BWGYBXJUXICSRZ-WHOHXGKFSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+]([C@@H]2C[C@@H]2C)C1 52299011 572342590 /nfs/dbraw/zinc/34/25/90/572342590.db2.gz BWGYBXJUXICSRZ-WHOHXGKFSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](C)CN([C@@H]2C[C@@H]2C)C1 52299011 572342592 /nfs/dbraw/zinc/34/25/92/572342592.db2.gz BWGYBXJUXICSRZ-WHOHXGKFSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)CC(C)C 83606816 572343098 /nfs/dbraw/zinc/34/30/98/572343098.db2.gz HODRKRYNCNMTAT-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@@H]1C[C@@H]1C 52294475 572342647 /nfs/dbraw/zinc/34/26/47/572342647.db2.gz ZXKWGBJQQTYWGM-XHNCKOQMSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C1CCC1 83608863 572350760 /nfs/dbraw/zinc/35/07/60/572350760.db2.gz NDDKIQDEYZCRKT-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CCC[C@@H](C[NH3+])CN1CCCCC1 83606548 572345146 /nfs/dbraw/zinc/34/51/46/572345146.db2.gz PFSORXXWTOOSIY-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO CC[C@H](CN)C[NH2+]C(C)(C)C 83607312 572344043 /nfs/dbraw/zinc/34/40/43/572344043.db2.gz RMCBPEAFFNNAAN-MRVPVSSYSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@@H](CN)C[NH2+][C@@H](C)CC 83607341 572342975 /nfs/dbraw/zinc/34/29/75/572342975.db2.gz JVOJHMDOCLSAMD-UWVGGRQHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC1CC[NH+](C[C@@H](CN)C(C)C)CC1 83606259 572343000 /nfs/dbraw/zinc/34/30/00/572343000.db2.gz WZSLMMAJROFNLV-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@H](C)[N@H+](C)C[C@@H](CN)C(C)C 83606830 572343287 /nfs/dbraw/zinc/34/32/87/572343287.db2.gz NZIDBKMZIVEWLZ-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1CCCC1 83607396 572343019 /nfs/dbraw/zinc/34/30/19/572343019.db2.gz XZGBJIVLBTYKSA-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CCC[N@H+](C)C[C@@H](CN)C(C)C 83606806 572343073 /nfs/dbraw/zinc/34/30/73/572343073.db2.gz OSFSLIZCSSKQJA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CCC[N@@H+](C)C[C@@H](CN)C(C)C 83606806 572343077 /nfs/dbraw/zinc/34/30/77/572343077.db2.gz OSFSLIZCSSKQJA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CCCN(C)C[C@@H](C[NH3+])C(C)C 83606806 572343079 /nfs/dbraw/zinc/34/30/79/572343079.db2.gz OSFSLIZCSSKQJA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CC[C@H](C)C1 83607528 572343135 /nfs/dbraw/zinc/34/31/35/572343135.db2.gz RDQMGMWRMBVBJJ-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CC[C@H](C)C1 83607528 572343139 /nfs/dbraw/zinc/34/31/39/572343139.db2.gz RDQMGMWRMBVBJJ-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[N@H+](C[C@@H](CC)CN)C1CC1 83606792 572343155 /nfs/dbraw/zinc/34/31/55/572343155.db2.gz NYEWSOPMPAPNJA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](C[C@@H](CC)CN)C1CC1 83606792 572343160 /nfs/dbraw/zinc/34/31/60/572343160.db2.gz NYEWSOPMPAPNJA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCCN(C[C@@H](CC)C[NH3+])C1CC1 83606792 572343163 /nfs/dbraw/zinc/34/31/63/572343163.db2.gz NYEWSOPMPAPNJA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+](CC)C[C@H](CN)C(C)C 83606774 572343233 /nfs/dbraw/zinc/34/32/33/572343233.db2.gz RLHNPZXYRXSFMZ-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[N@@H+](CC)C[C@H](CN)C(C)C 83606774 572343235 /nfs/dbraw/zinc/34/32/35/572343235.db2.gz RLHNPZXYRXSFMZ-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](C)[N@@H+](C)C[C@@H](CN)C(C)C 83606830 572343289 /nfs/dbraw/zinc/34/32/89/572343289.db2.gz NZIDBKMZIVEWLZ-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H](CC)CN 83607355 572343443 /nfs/dbraw/zinc/34/34/43/572343443.db2.gz RNDCUXXQFLMRSS-DTWKUNHWSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@H](CN)C[NH2+]CC1CC1 83607426 572343451 /nfs/dbraw/zinc/34/34/51/572343451.db2.gz MVLIUDIXOFWHAN-SNVBAGLBSA-N 1 3 170.300 1.361 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)C(C)C 83606475 572343479 /nfs/dbraw/zinc/34/34/79/572343479.db2.gz KKASQUAKBROIPT-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)C(C)C 83606475 572343483 /nfs/dbraw/zinc/34/34/83/572343483.db2.gz KKASQUAKBROIPT-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)C(C)C 83606475 572343485 /nfs/dbraw/zinc/34/34/85/572343485.db2.gz KKASQUAKBROIPT-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@H+](C[C@H](CN)C(C)C)C(C)C 83606738 572343557 /nfs/dbraw/zinc/34/35/57/572343557.db2.gz IRZSXYLPDCRIRV-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@@H+](C[C@H](CN)C(C)C)C(C)C 83606738 572343559 /nfs/dbraw/zinc/34/35/59/572343559.db2.gz IRZSXYLPDCRIRV-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 83606525 572343567 /nfs/dbraw/zinc/34/35/67/572343567.db2.gz KWCWERKXZMASGN-GRYCIOLGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@H](CN)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 83606525 572343570 /nfs/dbraw/zinc/34/35/70/572343570.db2.gz KWCWERKXZMASGN-GRYCIOLGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCCC[C@@H]1C 83606302 572343655 /nfs/dbraw/zinc/34/36/55/572343655.db2.gz LFKSSLSCBZYESE-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCCC[C@@H]1C 83606302 572343657 /nfs/dbraw/zinc/34/36/57/572343657.db2.gz LFKSSLSCBZYESE-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@H](C)CC 83607347 572343662 /nfs/dbraw/zinc/34/36/62/572343662.db2.gz JVOJHMDOCLSAMD-NXEZZACHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CC(C)C 83607385 572343707 /nfs/dbraw/zinc/34/37/07/572343707.db2.gz IELLUYVLQVJNMH-VIFPVBQESA-N 1 3 158.289 1.217 10 0 ADAEHO CCCC[N@H+](C)C[C@@H](CC)CN 83606431 572343716 /nfs/dbraw/zinc/34/37/16/572343716.db2.gz HHTRYYHLNWUVGX-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H](CC)CN 83606431 572343720 /nfs/dbraw/zinc/34/37/20/572343720.db2.gz HHTRYYHLNWUVGX-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCCCN(C)C[C@@H](CC)C[NH3+] 83606431 572343723 /nfs/dbraw/zinc/34/37/23/572343723.db2.gz HHTRYYHLNWUVGX-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCCC[N@H+](C)C[C@@H](CN)C(C)C 83606435 572343743 /nfs/dbraw/zinc/34/37/43/572343743.db2.gz PPVGQLZKDFPRIT-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H](CN)C(C)C 83606435 572343746 /nfs/dbraw/zinc/34/37/46/572343746.db2.gz PPVGQLZKDFPRIT-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCCCN(C)C[C@@H](C[NH3+])C(C)C 83606435 572343749 /nfs/dbraw/zinc/34/37/49/572343749.db2.gz PPVGQLZKDFPRIT-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)CC1CC1 83607233 572343781 /nfs/dbraw/zinc/34/37/81/572343781.db2.gz HIZCYIOYNLWFOI-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)CC1CC1 83607233 572343785 /nfs/dbraw/zinc/34/37/85/572343785.db2.gz HIZCYIOYNLWFOI-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)CC1CC1 83607233 572343786 /nfs/dbraw/zinc/34/37/86/572343786.db2.gz HIZCYIOYNLWFOI-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+]1CCC[C@@H]1C 83607205 572343797 /nfs/dbraw/zinc/34/37/97/572343797.db2.gz XPIYXCMMDVTMFB-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CN)C[N@H+]1CCC[C@@H]1C 83607205 572343802 /nfs/dbraw/zinc/34/38/02/572343802.db2.gz XPIYXCMMDVTMFB-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[NH2+]C[C@@H](CN)CCC 83607295 572343870 /nfs/dbraw/zinc/34/38/70/572343870.db2.gz IJLBGERKPHYHNN-SECBINFHSA-N 1 3 158.289 1.361 10 0 ADAEHO CC[C@@H](CN)C[NH2+][C@@H](C)CC 83607351 572343965 /nfs/dbraw/zinc/34/39/65/572343965.db2.gz RNDCUXXQFLMRSS-IUCAKERBSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(C)C1CC1 83606718 572343989 /nfs/dbraw/zinc/34/39/89/572343989.db2.gz GYCCBMDKEHKSHH-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](C)CCC 83606799 572344005 /nfs/dbraw/zinc/34/40/05/572344005.db2.gz AGHYVRPDHSQTON-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](C)CCC 83606799 572344010 /nfs/dbraw/zinc/34/40/10/572344010.db2.gz AGHYVRPDHSQTON-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(C)CCC 83606799 572344011 /nfs/dbraw/zinc/34/40/11/572344011.db2.gz AGHYVRPDHSQTON-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](CN)C[NH2+]CC(C)(C)C 83607498 572344018 /nfs/dbraw/zinc/34/40/18/572344018.db2.gz WRNYBYXVTSYPSG-SNVBAGLBSA-N 1 3 186.343 1.997 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@@H]1CC1(C)C 83608603 572344027 /nfs/dbraw/zinc/34/40/27/572344027.db2.gz VIJSIFFMGYFKPK-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCC[C@H]([NH3+])[C@@H]1CCCCN1 238216914 572344357 /nfs/dbraw/zinc/34/43/57/572344357.db2.gz OIYQFUPHIXCBDK-UWVGGRQHSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)CC1CC1 83607229 572344076 /nfs/dbraw/zinc/34/40/76/572344076.db2.gz RFHPBJLIKYZYGD-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)CC1CC1 83607229 572344080 /nfs/dbraw/zinc/34/40/80/572344080.db2.gz RFHPBJLIKYZYGD-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)CC1CC1 83607229 572344081 /nfs/dbraw/zinc/34/40/81/572344081.db2.gz RFHPBJLIKYZYGD-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CCCC[NH2+]C[C@H](CN)CCC 83607449 572344100 /nfs/dbraw/zinc/34/41/00/572344100.db2.gz WUCILQQEBNEZIX-JTQLQIEISA-N 1 3 172.316 1.751 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CCCC[C@@H]1C 83606304 572344192 /nfs/dbraw/zinc/34/41/92/572344192.db2.gz LFKSSLSCBZYESE-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CCCC[C@@H]1C 83606304 572344196 /nfs/dbraw/zinc/34/41/96/572344196.db2.gz LFKSSLSCBZYESE-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH+](CC)C[C@@H](CN)C(C)C 83606294 572344216 /nfs/dbraw/zinc/34/42/16/572344216.db2.gz BCOUMFSONCBUIA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CCN(CC)C[C@@H](C[NH3+])C(C)C 83606294 572344222 /nfs/dbraw/zinc/34/42/22/572344222.db2.gz BCOUMFSONCBUIA-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)C[NH2+]C[C@H](CN)C(C)C 83607390 572344239 /nfs/dbraw/zinc/34/42/39/572344239.db2.gz ZGJKPFXGKBSCPT-JTQLQIEISA-N 1 3 172.316 1.463 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]CC1CC1 83607424 572344284 /nfs/dbraw/zinc/34/42/84/572344284.db2.gz MVLIUDIXOFWHAN-JTQLQIEISA-N 1 3 170.300 1.361 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)CC1CC1 83607238 572344306 /nfs/dbraw/zinc/34/43/06/572344306.db2.gz APHMNUNEDOGMKA-LLVKDONJSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)CC1CC1 83607238 572344308 /nfs/dbraw/zinc/34/43/08/572344308.db2.gz APHMNUNEDOGMKA-LLVKDONJSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[NH+](CC)C[C@H](CN)C(C)C 83606296 572344335 /nfs/dbraw/zinc/34/43/35/572344335.db2.gz BCOUMFSONCBUIA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CCN(CC)C[C@H](C[NH3+])C(C)C 83606296 572344339 /nfs/dbraw/zinc/34/43/39/572344339.db2.gz BCOUMFSONCBUIA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@@H](C)[N@H+](C)C[C@@H](CN)C(C)C 83606829 572344351 /nfs/dbraw/zinc/34/43/51/572344351.db2.gz NZIDBKMZIVEWLZ-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)C[C@@H](CN)C(C)C 83606829 572344353 /nfs/dbraw/zinc/34/43/53/572344353.db2.gz NZIDBKMZIVEWLZ-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CC1CC[NH+](C[C@H](CN)C(C)C)CC1 83606260 572344369 /nfs/dbraw/zinc/34/43/69/572344369.db2.gz WZSLMMAJROFNLV-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)C(C)C 83606473 572344382 /nfs/dbraw/zinc/34/43/82/572344382.db2.gz YWKRUAQAKXJQEI-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)C(C)C 83606473 572344387 /nfs/dbraw/zinc/34/43/87/572344387.db2.gz YWKRUAQAKXJQEI-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)C(C)C 83606473 572344391 /nfs/dbraw/zinc/34/43/91/572344391.db2.gz YWKRUAQAKXJQEI-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)[NH2+]C[C@@H](CN)C(C)C 83607327 572344408 /nfs/dbraw/zinc/34/44/08/572344408.db2.gz RLCCPZLRXGOKGY-SECBINFHSA-N 1 3 158.289 1.215 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)C1CC1 83606720 572344473 /nfs/dbraw/zinc/34/44/73/572344473.db2.gz GYCCBMDKEHKSHH-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[NH2+]C[C@H](CN)C(C)C 83607325 572344481 /nfs/dbraw/zinc/34/44/81/572344481.db2.gz RLCCPZLRXGOKGY-VIFPVBQESA-N 1 3 158.289 1.215 10 0 ADAEHO CCC[C@@H](CN)C[NH2+][C@@H]1CC1(C)C 83608600 572346162 /nfs/dbraw/zinc/34/61/62/572346162.db2.gz VIJSIFFMGYFKPK-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](C)CC1CC1 83607228 572344494 /nfs/dbraw/zinc/34/44/94/572344494.db2.gz RFHPBJLIKYZYGD-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](C)CC1CC1 83607228 572344497 /nfs/dbraw/zinc/34/44/97/572344497.db2.gz RFHPBJLIKYZYGD-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(C)CC1CC1 83607228 572344500 /nfs/dbraw/zinc/34/45/00/572344500.db2.gz RFHPBJLIKYZYGD-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[N@H+](CC)C[C@H](CC)CN 83606770 572344509 /nfs/dbraw/zinc/34/45/09/572344509.db2.gz CUPDCXNTWRXNNR-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[N@@H+](CC)C[C@H](CC)CN 83606770 572344512 /nfs/dbraw/zinc/34/45/12/572344512.db2.gz CUPDCXNTWRXNNR-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CC[C@@H](CN)C[NH+]1CCC(C)CC1 83606254 572344526 /nfs/dbraw/zinc/34/45/26/572344526.db2.gz CSGAIJXHGHMLRS-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[NH+]1C[C@@H](C)C[C@H](C)C1 83606528 572344545 /nfs/dbraw/zinc/34/45/45/572344545.db2.gz KWCWERKXZMASGN-SDDRHHMPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[N@H+](CC)C[C@@H](CC)CN 83606768 572344564 /nfs/dbraw/zinc/34/45/64/572344564.db2.gz CUPDCXNTWRXNNR-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[N@@H+](CC)C[C@@H](CC)CN 83606768 572344566 /nfs/dbraw/zinc/34/45/66/572344566.db2.gz CUPDCXNTWRXNNR-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CC[C@H](CN)C[NH+](CC)CC 83606292 572344572 /nfs/dbraw/zinc/34/45/72/572344572.db2.gz DUUWMZIEIQXWCX-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CC[C@H](C[NH3+])CN(CC)CC 83606292 572344576 /nfs/dbraw/zinc/34/45/76/572344576.db2.gz DUUWMZIEIQXWCX-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]1C 83607215 572344640 /nfs/dbraw/zinc/34/46/40/572344640.db2.gz NQULQKJKXGQNGI-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]1C 83607215 572344643 /nfs/dbraw/zinc/34/46/43/572344643.db2.gz NQULQKJKXGQNGI-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H](CN)C[NH+](CC)CC 83606286 572344662 /nfs/dbraw/zinc/34/46/62/572344662.db2.gz MVZAGOADDLNZST-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(CC)CC 83606286 572344663 /nfs/dbraw/zinc/34/46/63/572344663.db2.gz MVZAGOADDLNZST-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@@H](C)CC 83607343 572344672 /nfs/dbraw/zinc/34/46/72/572344672.db2.gz JVOJHMDOCLSAMD-VHSXEESVSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1CCCC1 83607398 572344693 /nfs/dbraw/zinc/34/46/93/572344693.db2.gz XZGBJIVLBTYKSA-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+]1CC[C@H](C)C1 83607521 572344702 /nfs/dbraw/zinc/34/47/02/572344702.db2.gz UWCAUQLACZSEMU-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H](CN)C[N@H+]1CC[C@H](C)C1 83607521 572344707 /nfs/dbraw/zinc/34/47/07/572344707.db2.gz UWCAUQLACZSEMU-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](C[NH3+])CNCc1cccs1 83607261 572344724 /nfs/dbraw/zinc/34/47/24/572344724.db2.gz HUJQMRBEOMXPEH-SECBINFHSA-N 1 3 198.335 1.823 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)[C@@H](C)C1CC1 83607037 572346361 /nfs/dbraw/zinc/34/63/61/572346361.db2.gz GESVYTLNDJOVBF-CMPLNLGQSA-N 1 3 198.354 1.948 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](C)CC(C)C 83606810 572344742 /nfs/dbraw/zinc/34/47/42/572344742.db2.gz ARAQWTZHRAZOTD-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](C)CC(C)C 83606810 572344746 /nfs/dbraw/zinc/34/47/46/572344746.db2.gz ARAQWTZHRAZOTD-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)CC 83606696 572344760 /nfs/dbraw/zinc/34/47/60/572344760.db2.gz DXULQTGAOXMFOM-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)CC 83606696 572344764 /nfs/dbraw/zinc/34/47/64/572344764.db2.gz DXULQTGAOXMFOM-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)CC 83606696 572344768 /nfs/dbraw/zinc/34/47/68/572344768.db2.gz DXULQTGAOXMFOM-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)[C@@H](C)C(C)C 83607046 572344777 /nfs/dbraw/zinc/34/47/77/572344777.db2.gz CONBPDYXYCSTLK-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)[C@@H](C)C(C)C 83607046 572344779 /nfs/dbraw/zinc/34/47/79/572344779.db2.gz CONBPDYXYCSTLK-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CSCCCN(C)C/C=C\C[NH3+] 307980033 572344782 /nfs/dbraw/zinc/34/47/82/572344782.db2.gz NGOBSFOJMZRBBC-ARJAWSKDSA-N 1 3 188.340 1.186 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)[C@@H](C)C(C)C 83607044 572344793 /nfs/dbraw/zinc/34/47/93/572344793.db2.gz CONBPDYXYCSTLK-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)[C@@H](C)C(C)C 83607044 572344797 /nfs/dbraw/zinc/34/47/97/572344797.db2.gz CONBPDYXYCSTLK-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](CN)C[N@H+](CC)CC(C)C 83606836 572344843 /nfs/dbraw/zinc/34/48/43/572344843.db2.gz YAMXBOQJEUPLSC-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](CC)CC(C)C 83606836 572344844 /nfs/dbraw/zinc/34/48/44/572344844.db2.gz YAMXBOQJEUPLSC-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@@H](CN)C[NH+]1CCCC1 83606262 572344898 /nfs/dbraw/zinc/34/48/98/572344898.db2.gz MTRCBOFZIGCLBQ-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C(C)C 83607319 572344908 /nfs/dbraw/zinc/34/49/08/572344908.db2.gz BZADTDFBFAVVME-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO CCCC[N@H+](C)C[C@H](CN)C(C)C 83606437 572344947 /nfs/dbraw/zinc/34/49/47/572344947.db2.gz PPVGQLZKDFPRIT-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCCC[N@@H+](C)C[C@H](CN)C(C)C 83606437 572344948 /nfs/dbraw/zinc/34/49/48/572344948.db2.gz PPVGQLZKDFPRIT-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCCCN(C)C[C@H](C[NH3+])C(C)C 83606437 572344954 /nfs/dbraw/zinc/34/49/54/572344954.db2.gz PPVGQLZKDFPRIT-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)C[C@H](C)CC 83606869 572344962 /nfs/dbraw/zinc/34/49/62/572344962.db2.gz ZXGRUKUUXXAXHZ-MNOVXSKESA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)C[C@H](C)CC 83606869 572344967 /nfs/dbraw/zinc/34/49/67/572344967.db2.gz ZXGRUKUUXXAXHZ-MNOVXSKESA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+](C)CC1CC1 83607236 572345401 /nfs/dbraw/zinc/34/54/01/572345401.db2.gz APHMNUNEDOGMKA-NSHDSACASA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](C)C1 83606358 572345012 /nfs/dbraw/zinc/34/50/12/572345012.db2.gz HPOCDCHLPGGEDP-VXGBXAGGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](C)C1 83606358 572345015 /nfs/dbraw/zinc/34/50/15/572345015.db2.gz HPOCDCHLPGGEDP-VXGBXAGGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)[C@@H](C)C1CC1 83607034 572345026 /nfs/dbraw/zinc/34/50/26/572345026.db2.gz OMHQLNJIMPZOEJ-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 83607034 572345027 /nfs/dbraw/zinc/34/50/27/572345027.db2.gz OMHQLNJIMPZOEJ-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+](C)CC1CC1 83607236 572345404 /nfs/dbraw/zinc/34/54/04/572345404.db2.gz APHMNUNEDOGMKA-NSHDSACASA-N 1 3 184.327 1.559 10 0 ADAEHO CCCC[N@H+](C)C[C@H](CC)CN 83606433 572345036 /nfs/dbraw/zinc/34/50/36/572345036.db2.gz HHTRYYHLNWUVGX-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCCC[N@@H+](C)C[C@H](CC)CN 83606433 572345041 /nfs/dbraw/zinc/34/50/41/572345041.db2.gz HHTRYYHLNWUVGX-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCCCN(C)C[C@H](CC)C[NH3+] 83606433 572345046 /nfs/dbraw/zinc/34/50/46/572345046.db2.gz HHTRYYHLNWUVGX-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+](C)[C@@H](C)C1CC1 83607036 572345062 /nfs/dbraw/zinc/34/50/62/572345062.db2.gz GESVYTLNDJOVBF-JQWIXIFHSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 83607036 572345064 /nfs/dbraw/zinc/34/50/64/572345064.db2.gz GESVYTLNDJOVBF-JQWIXIFHSA-N 1 3 198.354 1.948 10 0 ADAEHO CCC[NH2+]C[C@@H](CN)C(C)C 83607301 572345092 /nfs/dbraw/zinc/34/50/92/572345092.db2.gz ZRRCJMUZBVRTSB-SECBINFHSA-N 1 3 158.289 1.217 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]CC(C)(C)C 83607505 572345100 /nfs/dbraw/zinc/34/51/00/572345100.db2.gz IULXEGJDTFIMKQ-JTQLQIEISA-N 1 3 186.343 1.853 10 0 ADAEHO CCC[N@H+](C)C[C@H](CC)CN 83606804 572345108 /nfs/dbraw/zinc/34/51/08/572345108.db2.gz YREVSQPZMGQFKT-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[N@@H+](C)C[C@H](CC)CN 83606804 572345109 /nfs/dbraw/zinc/34/51/09/572345109.db2.gz YREVSQPZMGQFKT-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCCN(C)C[C@H](CC)C[NH3+] 83606804 572345114 /nfs/dbraw/zinc/34/51/14/572345114.db2.gz YREVSQPZMGQFKT-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](C)C(C)C 83606470 572345123 /nfs/dbraw/zinc/34/51/23/572345123.db2.gz YWKRUAQAKXJQEI-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C1CCCC1 83607391 572345408 /nfs/dbraw/zinc/34/54/08/572345408.db2.gz FAVNZJGEFOJXBN-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](C)C(C)C 83606470 572345126 /nfs/dbraw/zinc/34/51/26/572345126.db2.gz YWKRUAQAKXJQEI-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(C)C(C)C 83606470 572345128 /nfs/dbraw/zinc/34/51/28/572345128.db2.gz YWKRUAQAKXJQEI-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C[NH3+])CNCCc1ccco1 83608064 572345134 /nfs/dbraw/zinc/34/51/34/572345134.db2.gz YZLNRZJCEOIPQR-SNVBAGLBSA-N 1 3 196.294 1.397 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCc1ccco1 83608064 572345137 /nfs/dbraw/zinc/34/51/37/572345137.db2.gz YZLNRZJCEOIPQR-SNVBAGLBSA-N 1 3 196.294 1.397 10 0 ADAEHO CCC[C@@H](CN)C[NH+]1CCCCC1 83606548 572345144 /nfs/dbraw/zinc/34/51/44/572345144.db2.gz PFSORXXWTOOSIY-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CCC[C@H](C)C1 83606357 572345163 /nfs/dbraw/zinc/34/51/63/572345163.db2.gz WLMXJEGZLPFTTN-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CCC[C@H](C)C1 83606357 572345166 /nfs/dbraw/zinc/34/51/66/572345166.db2.gz WLMXJEGZLPFTTN-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[N@H+](C[C@H](CN)C(C)C)C1CC1 83606717 572345176 /nfs/dbraw/zinc/34/51/76/572345176.db2.gz CEUVQZFHYUOQGD-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C[C@H](CN)C(C)C)C1CC1 83606717 572345181 /nfs/dbraw/zinc/34/51/81/572345181.db2.gz CEUVQZFHYUOQGD-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CCN(C[C@H](C[NH3+])C(C)C)C1CC1 83606717 572345184 /nfs/dbraw/zinc/34/51/84/572345184.db2.gz CEUVQZFHYUOQGD-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)CCC 83606801 572345199 /nfs/dbraw/zinc/34/51/99/572345199.db2.gz AGHYVRPDHSQTON-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)CCC 83606801 572345202 /nfs/dbraw/zinc/34/52/02/572345202.db2.gz AGHYVRPDHSQTON-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)CCC 83606801 572345203 /nfs/dbraw/zinc/34/52/03/572345203.db2.gz AGHYVRPDHSQTON-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CC[N@H+](C)C[C@@H](CN)C(C)C 83606702 572345208 /nfs/dbraw/zinc/34/52/08/572345208.db2.gz KLJFQCLXJPQRHM-SECBINFHSA-N 1 3 158.289 1.169 10 0 ADAEHO CC[N@@H+](C)C[C@@H](CN)C(C)C 83606702 572345209 /nfs/dbraw/zinc/34/52/09/572345209.db2.gz KLJFQCLXJPQRHM-SECBINFHSA-N 1 3 158.289 1.169 10 0 ADAEHO CCN(C)C[C@@H](C[NH3+])C(C)C 83606702 572345211 /nfs/dbraw/zinc/34/52/11/572345211.db2.gz KLJFQCLXJPQRHM-SECBINFHSA-N 1 3 158.289 1.169 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@@H]1CC 83607223 572345239 /nfs/dbraw/zinc/34/52/39/572345239.db2.gz MXAPQRUFHMRMQX-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCC[C@@H]1CC 83607223 572345242 /nfs/dbraw/zinc/34/52/42/572345242.db2.gz MXAPQRUFHMRMQX-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CN)C[NH+](CC)CC 83606288 572345246 /nfs/dbraw/zinc/34/52/46/572345246.db2.gz MVZAGOADDLNZST-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](C[NH3+])CN(CC)CC 83606288 572345248 /nfs/dbraw/zinc/34/52/48/572345248.db2.gz MVZAGOADDLNZST-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO C[NH2+]CC[C@H](C)N(C)C1CC1 52445323 572345272 /nfs/dbraw/zinc/34/52/72/572345272.db2.gz VLCRBNXCZJZDDN-QMMMGPOBSA-N 1 3 156.273 1.079 10 0 ADAEHO CCC[NH2+]C[C@H](CN)C(C)C 83607303 572345279 /nfs/dbraw/zinc/34/52/79/572345279.db2.gz ZRRCJMUZBVRTSB-VIFPVBQESA-N 1 3 158.289 1.217 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)C(C)C 83606477 572345286 /nfs/dbraw/zinc/34/52/86/572345286.db2.gz KKASQUAKBROIPT-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)C(C)C 83606477 572345288 /nfs/dbraw/zinc/34/52/88/572345288.db2.gz KKASQUAKBROIPT-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)C(C)C 83606477 572345290 /nfs/dbraw/zinc/34/52/90/572345290.db2.gz KKASQUAKBROIPT-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](CN)C[NH2+]CC(C)C 83607386 572345295 /nfs/dbraw/zinc/34/52/95/572345295.db2.gz IELLUYVLQVJNMH-SECBINFHSA-N 1 3 158.289 1.217 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H](CN)C(C)C 83607364 572345305 /nfs/dbraw/zinc/34/53/05/572345305.db2.gz MBOXCCFGMZYXPW-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)C1CC1 83606723 572345313 /nfs/dbraw/zinc/34/53/13/572345313.db2.gz WRALZKORTCEVEP-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)CC1CC1 83607232 572345342 /nfs/dbraw/zinc/34/53/42/572345342.db2.gz HIZCYIOYNLWFOI-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)CC1CC1 83607232 572345343 /nfs/dbraw/zinc/34/53/43/572345343.db2.gz HIZCYIOYNLWFOI-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)CC1CC1 83607232 572345347 /nfs/dbraw/zinc/34/53/47/572345347.db2.gz HIZCYIOYNLWFOI-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]CC(C)(C)C 83607497 572345353 /nfs/dbraw/zinc/34/53/53/572345353.db2.gz WRNYBYXVTSYPSG-JTQLQIEISA-N 1 3 186.343 1.997 10 0 ADAEHO CC[C@H](CN)C[NH+]1CCC(C)CC1 83606256 572345359 /nfs/dbraw/zinc/34/53/59/572345359.db2.gz CSGAIJXHGHMLRS-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)[C@@H](CN)C[NH+]1CCCCC1 83606556 572345375 /nfs/dbraw/zinc/34/53/75/572345375.db2.gz PQFRCEYMJAJKQC-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H](C)CC 83607353 572345422 /nfs/dbraw/zinc/34/54/22/572345422.db2.gz RNDCUXXQFLMRSS-RKDXNWHRSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)C1CCCC1 83606755 572345470 /nfs/dbraw/zinc/34/54/70/572345470.db2.gz KTIHVFKLKMMSHW-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)C1CCCC1 83606755 572345472 /nfs/dbraw/zinc/34/54/72/572345472.db2.gz KTIHVFKLKMMSHW-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](C)CC 83606694 572345483 /nfs/dbraw/zinc/34/54/83/572345483.db2.gz DXULQTGAOXMFOM-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](C)CC 83606694 572345487 /nfs/dbraw/zinc/34/54/87/572345487.db2.gz DXULQTGAOXMFOM-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(C)CC 83606694 572345490 /nfs/dbraw/zinc/34/54/90/572345490.db2.gz DXULQTGAOXMFOM-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CC[C@H](C[NH3+])CN1CCSCC1 83606652 572345517 /nfs/dbraw/zinc/34/55/17/572345517.db2.gz VODMOCNSBXTTRA-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CCC[C@@H](CN)C[NH2+][C@H](C)CC 83607345 572345524 /nfs/dbraw/zinc/34/55/24/572345524.db2.gz JVOJHMDOCLSAMD-ZJUUUORDSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)CCC(C)C 83607683 572345546 /nfs/dbraw/zinc/34/55/46/572345546.db2.gz XVAXIZOEDGIWTL-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[N@H+](C[C@H](CC)CN)C1CC1 83606794 572345556 /nfs/dbraw/zinc/34/55/56/572345556.db2.gz NYEWSOPMPAPNJA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](C[C@H](CC)CN)C1CC1 83606794 572345559 /nfs/dbraw/zinc/34/55/59/572345559.db2.gz NYEWSOPMPAPNJA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCN(C[C@H](CC)C[NH3+])C1CC1 83606794 572345562 /nfs/dbraw/zinc/34/55/62/572345562.db2.gz NYEWSOPMPAPNJA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN(C)C1CC1 52445216 572345577 /nfs/dbraw/zinc/34/55/77/572345577.db2.gz ZGOPKHGKPNBGBF-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CN)C[NH2+][C@H](C)CC 83607349 572345579 /nfs/dbraw/zinc/34/55/79/572345579.db2.gz RNDCUXXQFLMRSS-BDAKNGLRSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[N@H+](C[C@@H](CN)C(C)C)C1CC1 83606714 572345607 /nfs/dbraw/zinc/34/56/07/572345607.db2.gz CEUVQZFHYUOQGD-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C[C@@H](CN)C(C)C)C1CC1 83606714 572345610 /nfs/dbraw/zinc/34/56/10/572345610.db2.gz CEUVQZFHYUOQGD-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CCN(C[C@@H](C[NH3+])C(C)C)C1CC1 83606714 572345615 /nfs/dbraw/zinc/34/56/15/572345615.db2.gz CEUVQZFHYUOQGD-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CCC[C@@H]1C 83607212 572345641 /nfs/dbraw/zinc/34/56/41/572345641.db2.gz LULWHZQLZLBLOC-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CCC[C@@H]1C 83607212 572345646 /nfs/dbraw/zinc/34/56/46/572345646.db2.gz LULWHZQLZLBLOC-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C(C1CC1)C1CC1 83608073 572345667 /nfs/dbraw/zinc/34/56/67/572345667.db2.gz JMJDWHCFUGXAEV-VIFPVBQESA-N 1 3 196.338 1.750 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]CC(C)C 83607380 572345705 /nfs/dbraw/zinc/34/57/05/572345705.db2.gz ZOOAXZDMTWDVBW-JTQLQIEISA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CC(C)(C)C 83607501 572345715 /nfs/dbraw/zinc/34/57/15/572345715.db2.gz HFXCSWGSQPSETC-VIFPVBQESA-N 1 3 172.316 1.607 10 0 ADAEHO CCC[C@H](CN)C[NH2+]CC(C)C 83607382 572346086 /nfs/dbraw/zinc/34/60/86/572346086.db2.gz ZOOAXZDMTWDVBW-SNVBAGLBSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H](CN)C(C)C 83607357 572345729 /nfs/dbraw/zinc/34/57/29/572345729.db2.gz MBOXCCFGMZYXPW-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@H](CN)C[N@H+](CC)C1CC1 83606712 572345756 /nfs/dbraw/zinc/34/57/56/572345756.db2.gz CRYJCEBWBFYUJQ-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CN)C[N@@H+](CC)C1CC1 83606712 572345758 /nfs/dbraw/zinc/34/57/58/572345758.db2.gz CRYJCEBWBFYUJQ-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C[NH3+])CN(CC)C1CC1 83606712 572345760 /nfs/dbraw/zinc/34/57/60/572345760.db2.gz CRYJCEBWBFYUJQ-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C(C)C 83606481 572345780 /nfs/dbraw/zinc/34/57/80/572345780.db2.gz JITJDICZGHSCJT-SNVBAGLBSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C(C)C 83606481 572345784 /nfs/dbraw/zinc/34/57/84/572345784.db2.gz JITJDICZGHSCJT-SNVBAGLBSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@H](C[NH3+])CN(C)C(C)C 83606481 572345786 /nfs/dbraw/zinc/34/57/86/572345786.db2.gz JITJDICZGHSCJT-SNVBAGLBSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[N@H+](C)C[C@@H](CN)C(C)C 83606817 572345795 /nfs/dbraw/zinc/34/57/95/572345795.db2.gz BPYHUFJNLZNBFZ-LLVKDONJSA-N 1 3 186.343 1.805 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@@H](CN)C(C)C 83606817 572345798 /nfs/dbraw/zinc/34/57/98/572345798.db2.gz BPYHUFJNLZNBFZ-LLVKDONJSA-N 1 3 186.343 1.805 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1CCCCC1 83607272 572345804 /nfs/dbraw/zinc/34/58/04/572345804.db2.gz QLRHHRDIFBCIHY-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@@H](CN)C[N@H+](CC)C(C)C 83606732 572345813 /nfs/dbraw/zinc/34/58/13/572345813.db2.gz NQVYKWWLSUUANQ-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](CC)C(C)C 83606732 572345817 /nfs/dbraw/zinc/34/58/17/572345817.db2.gz NQVYKWWLSUUANQ-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]C(C)(C)C 83607315 572345824 /nfs/dbraw/zinc/34/58/24/572345824.db2.gz OJQUXOBIPAJJPA-SECBINFHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](C)C1 83607529 572345836 /nfs/dbraw/zinc/34/58/36/572345836.db2.gz GKGDCKORTNUCOU-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](C)C1 83607529 572345841 /nfs/dbraw/zinc/34/58/41/572345841.db2.gz GKGDCKORTNUCOU-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@@H](C[NH3+])CNCc1cccs1 83607259 572345850 /nfs/dbraw/zinc/34/58/50/572345850.db2.gz HUJQMRBEOMXPEH-VIFPVBQESA-N 1 3 198.335 1.823 10 0 ADAEHO CCCC[NH2+]C[C@@H](CC)CN 83607453 572345857 /nfs/dbraw/zinc/34/58/57/572345857.db2.gz YHWFHRTXNWDZNR-VIFPVBQESA-N 1 3 158.289 1.361 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C(C)C 83607317 572346755 /nfs/dbraw/zinc/34/67/55/572346755.db2.gz BZADTDFBFAVVME-VIFPVBQESA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H](CN)C[N@H+](CC)C1CC1 83606709 572345881 /nfs/dbraw/zinc/34/58/81/572345881.db2.gz CRYJCEBWBFYUJQ-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](CC)C1CC1 83606709 572345886 /nfs/dbraw/zinc/34/58/86/572345886.db2.gz CRYJCEBWBFYUJQ-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C[NH3+])CN(CC)C1CC1 83606709 572345890 /nfs/dbraw/zinc/34/58/90/572345890.db2.gz CRYJCEBWBFYUJQ-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+](C)C[C@H](CN)C(C)C 83606808 572345902 /nfs/dbraw/zinc/34/59/02/572345902.db2.gz OSFSLIZCSSKQJA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CCC[N@@H+](C)C[C@H](CN)C(C)C 83606808 572345904 /nfs/dbraw/zinc/34/59/04/572345904.db2.gz OSFSLIZCSSKQJA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CCCN(C)C[C@H](C[NH3+])C(C)C 83606808 572345909 /nfs/dbraw/zinc/34/59/09/572345909.db2.gz OSFSLIZCSSKQJA-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CCC[C@H](CN)C[NH+]1CCCCC1 83606549 572345934 /nfs/dbraw/zinc/34/59/34/572345934.db2.gz PFSORXXWTOOSIY-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO CCC[C@H](C[NH3+])CN1CCCCC1 83606549 572345937 /nfs/dbraw/zinc/34/59/37/572345937.db2.gz PFSORXXWTOOSIY-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO CCC[C@H](CN)C[N@H+](CC)C1CC1 83606708 572345967 /nfs/dbraw/zinc/34/59/67/572345967.db2.gz HGFJRVHXBBBGGH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](CC)C1CC1 83606708 572345969 /nfs/dbraw/zinc/34/59/69/572345969.db2.gz HGFJRVHXBBBGGH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C[NH3+])CN(CC)C1CC1 83606708 572345973 /nfs/dbraw/zinc/34/59/73/572345973.db2.gz HGFJRVHXBBBGGH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)C[NH+]1CCCCCC1 83606366 572345979 /nfs/dbraw/zinc/34/59/79/572345979.db2.gz VGAHIYLATOTQFJ-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]CC1CC1 83607432 572345985 /nfs/dbraw/zinc/34/59/85/572345985.db2.gz IKEHWYGREVZDHZ-JTQLQIEISA-N 1 3 170.300 1.217 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C1CC1 83607368 572345991 /nfs/dbraw/zinc/34/59/91/572345991.db2.gz LIHRGZAMVNXRMJ-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@@H](C[NH3+])CNC1CC1 83607368 572345992 /nfs/dbraw/zinc/34/59/92/572345992.db2.gz LIHRGZAMVNXRMJ-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]CC1CC1 83607434 572346006 /nfs/dbraw/zinc/34/60/06/572346006.db2.gz IKEHWYGREVZDHZ-SNVBAGLBSA-N 1 3 170.300 1.217 10 0 ADAEHO CCC[N@H+](C)C[C@@H](CC)CN 83606803 572346022 /nfs/dbraw/zinc/34/60/22/572346022.db2.gz YREVSQPZMGQFKT-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[N@@H+](C)C[C@@H](CC)CN 83606803 572346023 /nfs/dbraw/zinc/34/60/23/572346023.db2.gz YREVSQPZMGQFKT-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCCN(C)C[C@@H](CC)C[NH3+] 83606803 572346026 /nfs/dbraw/zinc/34/60/26/572346026.db2.gz YREVSQPZMGQFKT-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C(C)(C)C 83607304 572346043 /nfs/dbraw/zinc/34/60/43/572346043.db2.gz WJYUBWYPMPMLNN-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]1C 83607214 572346050 /nfs/dbraw/zinc/34/60/50/572346050.db2.gz NQULQKJKXGQNGI-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CCC[C@H]1C 83607214 572346054 /nfs/dbraw/zinc/34/60/54/572346054.db2.gz NQULQKJKXGQNGI-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](C)C1 83607532 572346065 /nfs/dbraw/zinc/34/60/65/572346065.db2.gz GKGDCKORTNUCOU-WDEREUQCSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](C)C1 83607532 572346067 /nfs/dbraw/zinc/34/60/67/572346067.db2.gz GKGDCKORTNUCOU-WDEREUQCSA-N 1 3 184.327 1.559 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C1CC1 83607370 572346140 /nfs/dbraw/zinc/34/61/40/572346140.db2.gz LIHRGZAMVNXRMJ-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@H](C[NH3+])CNC1CC1 83607370 572346142 /nfs/dbraw/zinc/34/61/42/572346142.db2.gz LIHRGZAMVNXRMJ-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@@H](C[NH3+])CN[C@@H]1CC1(C)C 83608600 572346164 /nfs/dbraw/zinc/34/61/64/572346164.db2.gz VIJSIFFMGYFKPK-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CC[C@H](C)C1 83607525 572346189 /nfs/dbraw/zinc/34/61/89/572346189.db2.gz RDQMGMWRMBVBJJ-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CC[C@H](C)C1 83607525 572346191 /nfs/dbraw/zinc/34/61/91/572346191.db2.gz RDQMGMWRMBVBJJ-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)CC(C)(C)C 83608588 572346222 /nfs/dbraw/zinc/34/62/22/572346222.db2.gz QUQYIPJJVYLXEU-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)CC(C)(C)C 83608588 572346225 /nfs/dbraw/zinc/34/62/25/572346225.db2.gz QUQYIPJJVYLXEU-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)CC(C)(C)C 83608588 572346227 /nfs/dbraw/zinc/34/62/27/572346227.db2.gz QUQYIPJJVYLXEU-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO CCCC[NH2+]C[C@@H](CN)C(C)C 83607457 572346234 /nfs/dbraw/zinc/34/62/34/572346234.db2.gz GGIZXOZZGMRFBK-SNVBAGLBSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@H](C)C[N@H+](C)C[C@@H](CC)CN 83606873 572346260 /nfs/dbraw/zinc/34/62/60/572346260.db2.gz ZXGRUKUUXXAXHZ-QWRGUYRKSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[N@H+](C[C@@H](CN)C(C)C)C(C)C 83606736 572346319 /nfs/dbraw/zinc/34/63/19/572346319.db2.gz IRZSXYLPDCRIRV-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)C[C@@H](CC)CN 83606873 572346268 /nfs/dbraw/zinc/34/62/68/572346268.db2.gz ZXGRUKUUXXAXHZ-QWRGUYRKSA-N 1 3 186.343 1.949 10 0 ADAEHO CCCC[NH2+]C[C@@H](CN)CCC 83607451 572346289 /nfs/dbraw/zinc/34/62/89/572346289.db2.gz WUCILQQEBNEZIX-SNVBAGLBSA-N 1 3 172.316 1.751 10 0 ADAEHO CC(C)C[NH2+]C[C@@H](CN)C(C)C 83607388 572346337 /nfs/dbraw/zinc/34/63/37/572346337.db2.gz ZGJKPFXGKBSCPT-SNVBAGLBSA-N 1 3 172.316 1.463 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)C1CC1 83606721 572346352 /nfs/dbraw/zinc/34/63/52/572346352.db2.gz WRALZKORTCEVEP-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 83607037 572346367 /nfs/dbraw/zinc/34/63/67/572346367.db2.gz GESVYTLNDJOVBF-CMPLNLGQSA-N 1 3 198.354 1.948 10 0 ADAEHO CC[C@@H](CN)C[NH+]1CCCCC1 83606551 572346387 /nfs/dbraw/zinc/34/63/87/572346387.db2.gz KNMALIPUBYLFBX-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CC[C@@H](C[NH3+])CN1CCCCC1 83606551 572346391 /nfs/dbraw/zinc/34/63/91/572346391.db2.gz KNMALIPUBYLFBX-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)CC(C)(C)C 83608587 572346408 /nfs/dbraw/zinc/34/64/08/572346408.db2.gz QUQYIPJJVYLXEU-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)CC(C)(C)C 83608587 572346409 /nfs/dbraw/zinc/34/64/09/572346409.db2.gz QUQYIPJJVYLXEU-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)CC(C)(C)C 83608587 572346412 /nfs/dbraw/zinc/34/64/12/572346412.db2.gz QUQYIPJJVYLXEU-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)CC(C)C 83606814 572346426 /nfs/dbraw/zinc/34/64/26/572346426.db2.gz HODRKRYNCNMTAT-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)CC(C)C 83606814 572346429 /nfs/dbraw/zinc/34/64/29/572346429.db2.gz HODRKRYNCNMTAT-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H](CN)C(C)C 83607366 572346449 /nfs/dbraw/zinc/34/64/49/572346449.db2.gz MBOXCCFGMZYXPW-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C(C)(C)C 83607307 572346592 /nfs/dbraw/zinc/34/65/92/572346592.db2.gz WJYUBWYPMPMLNN-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@@H](C[NH3+])CN1CCSCC1 83606650 572346601 /nfs/dbraw/zinc/34/66/01/572346601.db2.gz VODMOCNSBXTTRA-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@H](C)C1 83606354 572346612 /nfs/dbraw/zinc/34/66/12/572346612.db2.gz WLMXJEGZLPFTTN-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCC[C@H](C)C1 83606354 572346616 /nfs/dbraw/zinc/34/66/16/572346616.db2.gz WLMXJEGZLPFTTN-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)[C@H](CN)C[NH+]1CCCC1 83606273 572346747 /nfs/dbraw/zinc/34/67/47/572346747.db2.gz WYAHDTSJALCTSA-SNVBAGLBSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H](CN)C[N@H+](CC)CC(C)C 83606837 572346642 /nfs/dbraw/zinc/34/66/42/572346642.db2.gz YAMXBOQJEUPLSC-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](CN)C[N@@H+](CC)CC(C)C 83606837 572346646 /nfs/dbraw/zinc/34/66/46/572346646.db2.gz YAMXBOQJEUPLSC-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](CN)C[NH+]1CCCCC1 83606554 572346665 /nfs/dbraw/zinc/34/66/65/572346665.db2.gz KNMALIPUBYLFBX-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CC[C@H](C[NH3+])CN1CCCCC1 83606554 572346669 /nfs/dbraw/zinc/34/66/69/572346669.db2.gz KNMALIPUBYLFBX-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@H](CN)C[N@@H+]1CCC[C@@H]1C 83607208 572346737 /nfs/dbraw/zinc/34/67/37/572346737.db2.gz XPIYXCMMDVTMFB-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CN)C[N@H+]1CCC[C@@H]1C 83607208 572346738 /nfs/dbraw/zinc/34/67/38/572346738.db2.gz XPIYXCMMDVTMFB-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]C1CCCC1 83607402 572346905 /nfs/dbraw/zinc/34/69/05/572346905.db2.gz KEJDIYICTKIFSE-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[N@H+](CC)C[C@@H](CN)C(C)C 83606773 572347091 /nfs/dbraw/zinc/34/70/91/572347091.db2.gz RLHNPZXYRXSFMZ-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCC[C@H]1CC 83607221 572347104 /nfs/dbraw/zinc/34/71/04/572347104.db2.gz MXAPQRUFHMRMQX-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CN)C[NH+]1CCCC1 83606264 572346887 /nfs/dbraw/zinc/34/68/87/572346887.db2.gz MTRCBOFZIGCLBQ-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CC[C@H](CN)C[NH2+]C(C1CC1)C1CC1 83608074 572346892 /nfs/dbraw/zinc/34/68/92/572346892.db2.gz JMJDWHCFUGXAEV-SECBINFHSA-N 1 3 196.338 1.750 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]CC(C)(C)C 83607507 572346918 /nfs/dbraw/zinc/34/69/18/572346918.db2.gz IULXEGJDTFIMKQ-SNVBAGLBSA-N 1 3 186.343 1.853 10 0 ADAEHO CCC[N@@H+](CC)C[C@@H](CN)C(C)C 83606773 572347093 /nfs/dbraw/zinc/34/70/93/572347093.db2.gz RLHNPZXYRXSFMZ-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)[C@@H](C)C1CC1 83607032 572346934 /nfs/dbraw/zinc/34/69/34/572346934.db2.gz OMHQLNJIMPZOEJ-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)[C@@H](C)C1CC1 83607032 572346938 /nfs/dbraw/zinc/34/69/38/572346938.db2.gz OMHQLNJIMPZOEJ-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C1CCCC1 83607394 572346972 /nfs/dbraw/zinc/34/69/72/572346972.db2.gz FAVNZJGEFOJXBN-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO CC(C)[C@H](CN)C[NH+]1CCCCC1 83606558 572346986 /nfs/dbraw/zinc/34/69/86/572346986.db2.gz PQFRCEYMJAJKQC-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](C)C1 83606360 572346998 /nfs/dbraw/zinc/34/69/98/572346998.db2.gz HPOCDCHLPGGEDP-NWDGAFQWSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CCC[C@H](C)C1 83606360 572347001 /nfs/dbraw/zinc/34/70/01/572347001.db2.gz HPOCDCHLPGGEDP-NWDGAFQWSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@@H](C[NH3+])CNCCc1ccco1 83608062 572347005 /nfs/dbraw/zinc/34/70/05/572347005.db2.gz YZLNRZJCEOIPQR-JTQLQIEISA-N 1 3 196.294 1.397 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCc1ccco1 83608062 572347010 /nfs/dbraw/zinc/34/70/10/572347010.db2.gz YZLNRZJCEOIPQR-JTQLQIEISA-N 1 3 196.294 1.397 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+](C)C(C)C 83606479 572347036 /nfs/dbraw/zinc/34/70/36/572347036.db2.gz JITJDICZGHSCJT-JTQLQIEISA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+](C)C(C)C 83606479 572347038 /nfs/dbraw/zinc/34/70/38/572347038.db2.gz JITJDICZGHSCJT-JTQLQIEISA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CN(C)C(C)C 83606479 572347041 /nfs/dbraw/zinc/34/70/41/572347041.db2.gz JITJDICZGHSCJT-JTQLQIEISA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CN(C)C1CC1 83606725 572347058 /nfs/dbraw/zinc/34/70/58/572347058.db2.gz CMXGTPDQWRPCKU-VIFPVBQESA-N 1 3 170.300 1.312 10 0 ADAEHO CCCN(C)CCC[NH2+]CC(C)C 52444444 572347067 /nfs/dbraw/zinc/34/70/67/572347067.db2.gz KSASWZQOIXWGNQ-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@@H]1C 83607210 572347068 /nfs/dbraw/zinc/34/70/68/572347068.db2.gz LULWHZQLZLBLOC-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCC[C@@H]1C 83607210 572347070 /nfs/dbraw/zinc/34/70/70/572347070.db2.gz LULWHZQLZLBLOC-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCC[C@H]1CC 83607221 572347101 /nfs/dbraw/zinc/34/71/01/572347101.db2.gz MXAPQRUFHMRMQX-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CN)C[NH+]1CCCCCC1 83606368 572347126 /nfs/dbraw/zinc/34/71/26/572347126.db2.gz VGAHIYLATOTQFJ-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO CCCC[NH2+]C[C@H](CN)C(C)C 83607459 572347155 /nfs/dbraw/zinc/34/71/55/572347155.db2.gz GGIZXOZZGMRFBK-JTQLQIEISA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 83606523 572347185 /nfs/dbraw/zinc/34/71/85/572347185.db2.gz KWCWERKXZMASGN-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 83606523 572347188 /nfs/dbraw/zinc/34/71/88/572347188.db2.gz KWCWERKXZMASGN-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@H](CN)C[N@H+](CC)C(C)C 83606734 572347212 /nfs/dbraw/zinc/34/72/12/572347212.db2.gz NQVYKWWLSUUANQ-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](CN)C[N@@H+](CC)C(C)C 83606734 572347216 /nfs/dbraw/zinc/34/72/16/572347216.db2.gz NQVYKWWLSUUANQ-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[NH2+]C[C@H](CN)CCC 83607293 572347249 /nfs/dbraw/zinc/34/72/49/572347249.db2.gz IJLBGERKPHYHNN-VIFPVBQESA-N 1 3 158.289 1.361 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)C1CCCC1 83606757 572347259 /nfs/dbraw/zinc/34/72/59/572347259.db2.gz KTIHVFKLKMMSHW-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)C1CCCC1 83606757 572347263 /nfs/dbraw/zinc/34/72/63/572347263.db2.gz KTIHVFKLKMMSHW-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](CC)C1CC1 83606706 572347284 /nfs/dbraw/zinc/34/72/84/572347284.db2.gz HGFJRVHXBBBGGH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](CC)C1CC1 83606706 572347287 /nfs/dbraw/zinc/34/72/87/572347287.db2.gz HGFJRVHXBBBGGH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(CC)C1CC1 83606706 572347291 /nfs/dbraw/zinc/34/72/91/572347291.db2.gz HGFJRVHXBBBGGH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]C(C)(C)C 83607313 572347298 /nfs/dbraw/zinc/34/72/98/572347298.db2.gz OJQUXOBIPAJJPA-VIFPVBQESA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)CCC(C)C 83607682 572347309 /nfs/dbraw/zinc/34/73/09/572347309.db2.gz XVAXIZOEDGIWTL-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)CCC(C)C 83607682 572347312 /nfs/dbraw/zinc/34/73/12/572347312.db2.gz XVAXIZOEDGIWTL-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)CCC(C)C 83607682 572347317 /nfs/dbraw/zinc/34/73/17/572347317.db2.gz XVAXIZOEDGIWTL-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCCC[N@H+](CC)C[C@@H](C)CNC 52418695 572347318 /nfs/dbraw/zinc/34/73/18/572347318.db2.gz LGQFFZFBZSPEIS-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCCC[N@@H+](CC)C[C@@H](C)CNC 52418695 572347322 /nfs/dbraw/zinc/34/73/22/572347322.db2.gz LGQFFZFBZSPEIS-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCCCN(CC)C[C@@H](C)C[NH2+]C 52418695 572347325 /nfs/dbraw/zinc/34/73/25/572347325.db2.gz LGQFFZFBZSPEIS-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CC[C@H](CN)C[NH2+]C[C@@H](C)C(C)C 83609668 572347571 /nfs/dbraw/zinc/34/75/71/572347571.db2.gz IQHKBCZEMDBYGI-GHMZBOCLSA-N 1 3 186.343 1.853 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@@H](CC)CN 83608943 572347666 /nfs/dbraw/zinc/34/76/66/572347666.db2.gz KYFUIHJCNXEOMP-UWVGGRQHSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@@H](CN)C(C)C 83609430 572347693 /nfs/dbraw/zinc/34/76/93/572347693.db2.gz QUVLEJURCGLAQJ-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@@H](CN)C(C)C 83609430 572347699 /nfs/dbraw/zinc/34/76/99/572347699.db2.gz QUVLEJURCGLAQJ-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+][C@@H]1CC1(C)C 83608618 572347736 /nfs/dbraw/zinc/34/77/36/572347736.db2.gz HHFRADFYWYCCOF-VHSXEESVSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC1(C)C 83608619 572347778 /nfs/dbraw/zinc/34/77/78/572347778.db2.gz HHFRADFYWYCCOF-NXEZZACHSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@@H](CN)C[N@H+](CC1CC1)C1CC1 83609649 572347819 /nfs/dbraw/zinc/34/78/19/572347819.db2.gz GMWUCMMLOANCCL-JTQLQIEISA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](CC1CC1)C1CC1 83609649 572347823 /nfs/dbraw/zinc/34/78/23/572347823.db2.gz GMWUCMMLOANCCL-JTQLQIEISA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@H](CC)CN 83608945 572347912 /nfs/dbraw/zinc/34/79/12/572347912.db2.gz KYFUIHJCNXEOMP-NXEZZACHSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H](C)CCNC 52446739 572348627 /nfs/dbraw/zinc/34/86/27/572348627.db2.gz ADNKDOXUNLSHKL-JTQLQIEISA-N 1 3 172.316 1.715 10 0 ADAEHO CCC[NH2+]CC[C@@H](C)N(C)C1CC1 52445673 572348009 /nfs/dbraw/zinc/34/80/09/572348009.db2.gz LQTCILBBFRCIKD-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C[C@H](C)CC 83608941 572348028 /nfs/dbraw/zinc/34/80/28/572348028.db2.gz KYFUIHJCNXEOMP-ZJUUUORDSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCCC1(C)C 83609158 572348042 /nfs/dbraw/zinc/34/80/42/572348042.db2.gz GMVMGGGWUGKAOL-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCCC1(C)C 83609158 572348044 /nfs/dbraw/zinc/34/80/44/572348044.db2.gz GMVMGGGWUGKAOL-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@@H](CN)C(C)C 83608950 572348257 /nfs/dbraw/zinc/34/82/57/572348257.db2.gz PYFISDPFGRGWEM-GHMZBOCLSA-N 1 3 186.343 1.853 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1C[C@H]1C 83608890 572348160 /nfs/dbraw/zinc/34/81/60/572348160.db2.gz VMEASFVIBBMETQ-BBBLOLIVSA-N 1 3 170.300 1.215 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1CC1(C)C 83608611 572348169 /nfs/dbraw/zinc/34/81/69/572348169.db2.gz OPDWABNGGDNOSY-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C[NH3+])CN[C@@H]1CC1(C)C 83608611 572348172 /nfs/dbraw/zinc/34/81/72/572348172.db2.gz OPDWABNGGDNOSY-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C[C@H](C)CC 83608937 572348352 /nfs/dbraw/zinc/34/83/52/572348352.db2.gz REJFQABRZRKPBO-MNOVXSKESA-N 1 3 186.343 1.997 10 0 ADAEHO CC[NH2+]CC[C@@H](C)N(C)CC 52446402 572348455 /nfs/dbraw/zinc/34/84/55/572348455.db2.gz AIJPMGSUNCOGQR-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CC[C@H](CN)C[N@H+](CC)CC1CC1 83609427 572348534 /nfs/dbraw/zinc/34/85/34/572348534.db2.gz UCLWSGKYUWCHCS-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[N@@H+](CC)CC1CC1 83609427 572348538 /nfs/dbraw/zinc/34/85/38/572348538.db2.gz UCLWSGKYUWCHCS-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]C1CCC1 83608870 572348617 /nfs/dbraw/zinc/34/86/17/572348617.db2.gz KOYPGCPMZOURCU-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H](C)CCNC 52446739 572348631 /nfs/dbraw/zinc/34/86/31/572348631.db2.gz ADNKDOXUNLSHKL-JTQLQIEISA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@H](CC)CN 83608947 572348638 /nfs/dbraw/zinc/34/86/38/572348638.db2.gz KYFUIHJCNXEOMP-VHSXEESVSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CCCC1(C)C 83609160 572348676 /nfs/dbraw/zinc/34/86/76/572348676.db2.gz GMVMGGGWUGKAOL-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CCCC1(C)C 83609160 572348679 /nfs/dbraw/zinc/34/86/79/572348679.db2.gz GMVMGGGWUGKAOL-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CN)C[NH2+][C@H]1CC1(C)C 83608606 572348689 /nfs/dbraw/zinc/34/86/89/572348689.db2.gz VIJSIFFMGYFKPK-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@H](C[NH3+])CN[C@H]1CC1(C)C 83608606 572348693 /nfs/dbraw/zinc/34/86/93/572348693.db2.gz VIJSIFFMGYFKPK-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CN)C[NH2+][C@H]1CC1(C)C 83608614 572348777 /nfs/dbraw/zinc/34/87/77/572348777.db2.gz OPDWABNGGDNOSY-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C[NH3+])CN[C@H]1CC1(C)C 83608614 572348778 /nfs/dbraw/zinc/34/87/78/572348778.db2.gz OPDWABNGGDNOSY-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C[C@@H](C)CC 83608932 572348791 /nfs/dbraw/zinc/34/87/91/572348791.db2.gz REJFQABRZRKPBO-QWRGUYRKSA-N 1 3 186.343 1.997 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@H]1CC1(C)C 83608607 572348803 /nfs/dbraw/zinc/34/88/03/572348803.db2.gz VIJSIFFMGYFKPK-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@H](C[NH3+])CN[C@H]1CC1(C)C 83608607 572348804 /nfs/dbraw/zinc/34/88/04/572348804.db2.gz VIJSIFFMGYFKPK-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C[C@H](C)C(C)C 83609670 572348808 /nfs/dbraw/zinc/34/88/08/572348808.db2.gz IQHKBCZEMDBYGI-QWRGUYRKSA-N 1 3 186.343 1.853 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C[C@H](C)CC 83608938 572348851 /nfs/dbraw/zinc/34/88/51/572348851.db2.gz REJFQABRZRKPBO-GHMZBOCLSA-N 1 3 186.343 1.997 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)C[C@@H]1C[C@@H]1C 83609406 572348905 /nfs/dbraw/zinc/34/89/05/572348905.db2.gz FXMPVQXOLUPWLM-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)C[C@@H]1C[C@@H]1C 83609406 572348908 /nfs/dbraw/zinc/34/89/08/572348908.db2.gz FXMPVQXOLUPWLM-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)C[C@@H]1C[C@@H]1C 83609406 572348909 /nfs/dbraw/zinc/34/89/09/572348909.db2.gz FXMPVQXOLUPWLM-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@@H](C)CCNC 52454033 572348988 /nfs/dbraw/zinc/34/89/88/572348988.db2.gz HHUAOWNUJOPWQM-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@@H](C)CCNC 52454033 572348990 /nfs/dbraw/zinc/34/89/90/572348990.db2.gz HHUAOWNUJOPWQM-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)CC1CCC1 83609000 572349033 /nfs/dbraw/zinc/34/90/33/572349033.db2.gz NNJNKUWOFUZUQR-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)CC1CCC1 83609000 572349036 /nfs/dbraw/zinc/34/90/36/572349036.db2.gz NNJNKUWOFUZUQR-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)CC1CCC1 83608998 572349074 /nfs/dbraw/zinc/34/90/74/572349074.db2.gz NNJNKUWOFUZUQR-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)CC1CCC1 83608998 572349075 /nfs/dbraw/zinc/34/90/75/572349075.db2.gz NNJNKUWOFUZUQR-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](C[NH3+])CNCCC(F)(F)F 83609171 572349105 /nfs/dbraw/zinc/34/91/05/572349105.db2.gz ZMDCPQKKVDOUQL-SSDOTTSWSA-N 1 3 198.232 1.513 10 0 ADAEHO CC[NH2+]CC[C@@H](C)N(C)C1CC1 52445667 572349120 /nfs/dbraw/zinc/34/91/20/572349120.db2.gz TZVGHHSUMLDHMW-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCC[C@H]([NH3+])[C@H]1CCCCN1 238217191 572349193 /nfs/dbraw/zinc/34/91/93/572349193.db2.gz OIYQFUPHIXCBDK-VHSXEESVSA-N 1 3 170.300 1.646 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C[C@@H]1C[C@H]1C 83609415 572349242 /nfs/dbraw/zinc/34/92/42/572349242.db2.gz BULOWFHYMVUIMG-GRYCIOLGSA-N 1 3 198.354 1.805 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C[C@@H]1C[C@H]1C 83609415 572349245 /nfs/dbraw/zinc/34/92/45/572349245.db2.gz BULOWFHYMVUIMG-GRYCIOLGSA-N 1 3 198.354 1.805 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1(C)CCCC1 83609710 572349275 /nfs/dbraw/zinc/34/92/75/572349275.db2.gz QQXVEJYCEITBDI-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@H]1C[C@@H]1C 83608879 572349286 /nfs/dbraw/zinc/34/92/86/572349286.db2.gz IPXKYYPVAZWAGY-AEJSXWLSSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C[NH3+])CNCc1ccsc1 83609209 572349299 /nfs/dbraw/zinc/34/92/99/572349299.db2.gz QYQMQPPULYXBNX-SECBINFHSA-N 1 3 198.335 1.823 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C[C@H]1C[C@H]1C 83609412 572349361 /nfs/dbraw/zinc/34/93/61/572349361.db2.gz BULOWFHYMVUIMG-IJLUTSLNSA-N 1 3 198.354 1.805 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C[C@H]1C[C@H]1C 83609412 572349366 /nfs/dbraw/zinc/34/93/66/572349366.db2.gz BULOWFHYMVUIMG-IJLUTSLNSA-N 1 3 198.354 1.805 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1CCC1 83608867 572349386 /nfs/dbraw/zinc/34/93/86/572349386.db2.gz UQLCWUCSQRHCMI-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1CC1(C)C 83608615 572349403 /nfs/dbraw/zinc/34/94/03/572349403.db2.gz OPDWABNGGDNOSY-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C[NH3+])CN[C@H]1CC1(C)C 83608615 572349405 /nfs/dbraw/zinc/34/94/05/572349405.db2.gz OPDWABNGGDNOSY-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1(C)CCCC1 83609708 572349518 /nfs/dbraw/zinc/34/95/18/572349518.db2.gz QQXVEJYCEITBDI-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@H](CN)C(C)C 83608955 572349574 /nfs/dbraw/zinc/34/95/74/572349574.db2.gz PYFISDPFGRGWEM-QWRGUYRKSA-N 1 3 186.343 1.853 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C[C@H]1C[C@@H]1C 83609414 572349584 /nfs/dbraw/zinc/34/95/84/572349584.db2.gz BULOWFHYMVUIMG-QJPTWQEYSA-N 1 3 198.354 1.805 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C[C@H]1C[C@@H]1C 83609414 572349586 /nfs/dbraw/zinc/34/95/86/572349586.db2.gz BULOWFHYMVUIMG-QJPTWQEYSA-N 1 3 198.354 1.805 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@@H]1C[C@@H]1C 83608876 572349691 /nfs/dbraw/zinc/34/96/91/572349691.db2.gz IPXKYYPVAZWAGY-IVZWLZJFSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[N@H+](CC(C)C)C[C@@H](C)CNC 52449522 572349758 /nfs/dbraw/zinc/34/97/58/572349758.db2.gz ILOMVDBEBGXLFA-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CC[N@@H+](CC(C)C)C[C@@H](C)CNC 52449522 572349761 /nfs/dbraw/zinc/34/97/61/572349761.db2.gz ILOMVDBEBGXLFA-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)C[C@@H]1C[C@@H]1C 83609410 572349777 /nfs/dbraw/zinc/34/97/77/572349777.db2.gz AGCCNIHEVJFTKO-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)C[C@@H]1C[C@@H]1C 83609410 572349780 /nfs/dbraw/zinc/34/97/80/572349780.db2.gz AGCCNIHEVJFTKO-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)C[C@@H]1C[C@@H]1C 83609410 572349782 /nfs/dbraw/zinc/34/97/82/572349782.db2.gz AGCCNIHEVJFTKO-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1CCC1 83608868 572349792 /nfs/dbraw/zinc/34/97/92/572349792.db2.gz UQLCWUCSQRHCMI-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C1CCC1 83608865 572349819 /nfs/dbraw/zinc/34/98/19/572349819.db2.gz NDDKIQDEYZCRKT-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1CC1(C)C 83608623 572349845 /nfs/dbraw/zinc/34/98/45/572349845.db2.gz HHFRADFYWYCCOF-ZJUUUORDSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@H](CN)C(C)C 83608953 572349953 /nfs/dbraw/zinc/34/99/53/572349953.db2.gz PYFISDPFGRGWEM-MNOVXSKESA-N 1 3 186.343 1.853 10 0 ADAEHO CC[C@@H](CN)C[N@H+](CC)CC1CC1 83609424 572350049 /nfs/dbraw/zinc/35/00/49/572350049.db2.gz UCLWSGKYUWCHCS-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](CC)CC1CC1 83609424 572350051 /nfs/dbraw/zinc/35/00/51/572350051.db2.gz UCLWSGKYUWCHCS-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](C[NH3+])CNCCC(F)(F)F 83609169 572350080 /nfs/dbraw/zinc/35/00/80/572350080.db2.gz ZMDCPQKKVDOUQL-ZETCQYMHSA-N 1 3 198.232 1.513 10 0 ADAEHO CC[C@H](CN)C[NH2+]C[C@H](C)C(C)C 83609672 572350171 /nfs/dbraw/zinc/35/01/71/572350171.db2.gz IQHKBCZEMDBYGI-WDEREUQCSA-N 1 3 186.343 1.853 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@@H](CN)C(C)C 83608952 572350302 /nfs/dbraw/zinc/35/03/02/572350302.db2.gz PYFISDPFGRGWEM-WDEREUQCSA-N 1 3 186.343 1.853 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1C[C@@H]1C 83608891 572350309 /nfs/dbraw/zinc/35/03/09/572350309.db2.gz VMEASFVIBBMETQ-AEJSXWLSSA-N 1 3 170.300 1.215 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C[C@@H]1C[C@@H]1C 83609417 572350420 /nfs/dbraw/zinc/35/04/20/572350420.db2.gz BULOWFHYMVUIMG-SDDRHHMPSA-N 1 3 198.354 1.805 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C[C@@H]1C[C@@H]1C 83609417 572350422 /nfs/dbraw/zinc/35/04/22/572350422.db2.gz BULOWFHYMVUIMG-SDDRHHMPSA-N 1 3 198.354 1.805 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)CC1CCC1 83609004 572350464 /nfs/dbraw/zinc/35/04/64/572350464.db2.gz ZMOVZPBHMWRPTE-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)CC1CCC1 83609004 572350466 /nfs/dbraw/zinc/35/04/66/572350466.db2.gz ZMOVZPBHMWRPTE-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1C[C@H]1C 83608893 572350498 /nfs/dbraw/zinc/35/04/98/572350498.db2.gz VMEASFVIBBMETQ-OPRDCNLKSA-N 1 3 170.300 1.215 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C[C@@H](C)CC 83608935 572350523 /nfs/dbraw/zinc/35/05/23/572350523.db2.gz REJFQABRZRKPBO-WDEREUQCSA-N 1 3 186.343 1.997 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+](C)CC1CCC1 83609002 572350689 /nfs/dbraw/zinc/35/06/89/572350689.db2.gz ZMOVZPBHMWRPTE-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+](C)CC1CCC1 83609002 572350692 /nfs/dbraw/zinc/35/06/92/572350692.db2.gz ZMOVZPBHMWRPTE-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+][C@H]1CC1(C)C 83608621 572350824 /nfs/dbraw/zinc/35/08/24/572350824.db2.gz HHFRADFYWYCCOF-UWVGGRQHSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C[C@@H](C)C(C)C 83609666 572350836 /nfs/dbraw/zinc/35/08/36/572350836.db2.gz IQHKBCZEMDBYGI-MNOVXSKESA-N 1 3 186.343 1.853 10 0 ADAEHO CC[C@@H](C[NH3+])CNCc1ccsc1 83609208 572350891 /nfs/dbraw/zinc/35/08/91/572350891.db2.gz QYQMQPPULYXBNX-VIFPVBQESA-N 1 3 198.335 1.823 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]C1CCC1 83608872 572350992 /nfs/dbraw/zinc/35/09/92/572350992.db2.gz KOYPGCPMZOURCU-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1C[C@@H]1C 83608896 572350961 /nfs/dbraw/zinc/35/09/61/572350961.db2.gz VMEASFVIBBMETQ-IVZWLZJFSA-N 1 3 170.300 1.215 10 0 ADAEHO CC[C@H](CN)C[N@H+](CC1CC1)C1CC1 83609651 572351255 /nfs/dbraw/zinc/35/12/55/572351255.db2.gz GMWUCMMLOANCCL-SNVBAGLBSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CN)C[N@@H+](CC1CC1)C1CC1 83609651 572351259 /nfs/dbraw/zinc/35/12/59/572351259.db2.gz GMWUCMMLOANCCL-SNVBAGLBSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](CN)C[NH2+][C@@H]1CC1(C)C 83608609 572351295 /nfs/dbraw/zinc/35/12/95/572351295.db2.gz OPDWABNGGDNOSY-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C[NH3+])CN[C@@H]1CC1(C)C 83608609 572351299 /nfs/dbraw/zinc/35/12/99/572351299.db2.gz OPDWABNGGDNOSY-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@H](CN)C(C)C 83609432 572351362 /nfs/dbraw/zinc/35/13/62/572351362.db2.gz QUVLEJURCGLAQJ-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@H](CN)C(C)C 83609432 572351366 /nfs/dbraw/zinc/35/13/66/572351366.db2.gz QUVLEJURCGLAQJ-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO NCC(C[NH3+])c1cc2ccccc2[nH]1 140960058 572354359 /nfs/dbraw/zinc/35/43/59/572354359.db2.gz XWGCZYXJHMIVDY-UHFFFAOYSA-N 1 3 189.262 1.169 10 0 ADAEHO CCNCCC1([NH2+]C)CCCCC1 83632772 572356155 /nfs/dbraw/zinc/35/61/55/572356155.db2.gz KTPMJXOWMITDON-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO CNCCC1([NH2+]C)CCCCC1 83632770 572356221 /nfs/dbraw/zinc/35/62/21/572356221.db2.gz HQPLODDOIBVNQG-UHFFFAOYSA-N 1 3 170.300 1.518 10 0 ADAEHO Cc1cc(CNCCC[NH3+])sc1C 83632854 572357602 /nfs/dbraw/zinc/35/76/02/572357602.db2.gz VWVNTWHEMAWOJI-UHFFFAOYSA-N 1 3 198.335 1.803 10 0 ADAEHO C[C@H]1C[C@H]1NC[C@@H]([NH3+])CC1CC1 307996726 572360660 /nfs/dbraw/zinc/36/06/60/572360660.db2.gz CNQFZEOPSAYWBZ-UJNFCWOMSA-N 1 3 168.284 1.112 10 0 ADAEHO CSCC[C@@H]([NH3+])CN[C@H]1C[C@@H]1C 307998537 572360287 /nfs/dbraw/zinc/36/02/87/572360287.db2.gz DXSSUZFPHXGMBB-YIZRAAEISA-N 1 3 188.340 1.065 10 0 ADAEHO CSCC[C@H]([NH3+])CN[C@H]1C[C@H]1C 307998535 572360494 /nfs/dbraw/zinc/36/04/94/572360494.db2.gz DXSSUZFPHXGMBB-VGMNWLOBSA-N 1 3 188.340 1.065 10 0 ADAEHO CC[C@@]1(N)CCCC[N@H+](C)C1 76592070 572361434 /nfs/dbraw/zinc/36/14/34/572361434.db2.gz LKTXIQUJPOFQFG-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CC[C@@]1(N)CCCC[N@@H+](C)C1 76592070 572361437 /nfs/dbraw/zinc/36/14/37/572361437.db2.gz LKTXIQUJPOFQFG-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO C[NH2+][C@@]1(C)CCCN(C)CC1 76591994 572361235 /nfs/dbraw/zinc/36/12/35/572361235.db2.gz YWGJIIKNVZBPOJ-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CSCC[C@H]([NH3+])CN[C@@H]1C[C@@H]1C 307998536 572361428 /nfs/dbraw/zinc/36/14/28/572361428.db2.gz DXSSUZFPHXGMBB-XHNCKOQMSA-N 1 3 188.340 1.065 10 0 ADAEHO C[C@@H]1CSC[C@@H]1N(C)CCC[NH3+] 307997623 572361558 /nfs/dbraw/zinc/36/15/58/572361558.db2.gz DCONKGRWIHZSSD-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H]1CSC[C@@H]1[N@H+](C)CCCN 307997623 572361564 /nfs/dbraw/zinc/36/15/64/572361564.db2.gz DCONKGRWIHZSSD-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H]1CSC[C@@H]1[N@@H+](C)CCCN 307997623 572361567 /nfs/dbraw/zinc/36/15/67/572361567.db2.gz DCONKGRWIHZSSD-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CSC[C@@H]1N(C)CCC[NH3+] 307997633 572361584 /nfs/dbraw/zinc/36/15/84/572361584.db2.gz DCONKGRWIHZSSD-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CSC[C@@H]1[N@H+](C)CCCN 307997633 572361586 /nfs/dbraw/zinc/36/15/86/572361586.db2.gz DCONKGRWIHZSSD-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CSC[C@@H]1[N@@H+](C)CCCN 307997633 572361588 /nfs/dbraw/zinc/36/15/88/572361588.db2.gz DCONKGRWIHZSSD-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO CSCC[C@H]([NH3+])CN[C@@H]1C[C@H]1C 307998533 572361605 /nfs/dbraw/zinc/36/16/05/572361605.db2.gz DXSSUZFPHXGMBB-HRDYMLBCSA-N 1 3 188.340 1.065 10 0 ADAEHO C[NH2+][C@]1(C)CCCN(C)CC1 76591997 572361663 /nfs/dbraw/zinc/36/16/63/572361663.db2.gz YWGJIIKNVZBPOJ-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CSCC[C@H]([NH3+])CN[C@H]1C[C@@H]1C 307998130 572361809 /nfs/dbraw/zinc/36/18/09/572361809.db2.gz DXSSUZFPHXGMBB-CIUDSAMLSA-N 1 3 188.340 1.065 10 0 ADAEHO C[C@H]1CC[N@H+](C)C[C@@](C)(N)C1 76592087 572361842 /nfs/dbraw/zinc/36/18/42/572361842.db2.gz GMLAVKPPXOSAAC-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@@H+](C)C[C@@](C)(N)C1 76592087 572361845 /nfs/dbraw/zinc/36/18/45/572361845.db2.gz GMLAVKPPXOSAAC-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CSCC[C@@H]([NH3+])CN[C@@H]1C[C@@H]1C 307998531 572361850 /nfs/dbraw/zinc/36/18/50/572361850.db2.gz DXSSUZFPHXGMBB-DJLDLDEBSA-N 1 3 188.340 1.065 10 0 ADAEHO CC(C)[C@@H](N)[C@H]([NH3+])c1ccccc1 44138930 572361896 /nfs/dbraw/zinc/36/18/96/572361896.db2.gz CUEITIUXVYSNIW-GHMZBOCLSA-N 1 3 178.279 1.670 10 0 ADAEHO C[C@H]1CSC[C@H]1N(C)CCC[NH3+] 307997629 572362077 /nfs/dbraw/zinc/36/20/77/572362077.db2.gz DCONKGRWIHZSSD-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CSC[C@H]1[N@H+](C)CCCN 307997629 572362080 /nfs/dbraw/zinc/36/20/80/572362080.db2.gz DCONKGRWIHZSSD-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CSC[C@H]1[N@@H+](C)CCCN 307997629 572362084 /nfs/dbraw/zinc/36/20/84/572362084.db2.gz DCONKGRWIHZSSD-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1C[C@@H]1NC[C@@H]([NH3+])CC1CC1 307996725 572362140 /nfs/dbraw/zinc/36/21/40/572362140.db2.gz CNQFZEOPSAYWBZ-HGNGGELXSA-N 1 3 168.284 1.112 10 0 ADAEHO CC[C@H]1CCC[N@H+](C)C[C@@H]1N 76591956 572362156 /nfs/dbraw/zinc/36/21/56/572362156.db2.gz HASQBNUDKVMNFH-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1CCC[N@@H+](C)C[C@@H]1N 76591956 572362159 /nfs/dbraw/zinc/36/21/59/572362159.db2.gz HASQBNUDKVMNFH-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CSC[C@H]1N(C)CCC[NH3+] 307997637 572362341 /nfs/dbraw/zinc/36/23/41/572362341.db2.gz DCONKGRWIHZSSD-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H]1CSC[C@H]1[N@H+](C)CCCN 307997637 572362343 /nfs/dbraw/zinc/36/23/43/572362343.db2.gz DCONKGRWIHZSSD-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H]1CSC[C@H]1[N@@H+](C)CCCN 307997637 572362347 /nfs/dbraw/zinc/36/23/47/572362347.db2.gz DCONKGRWIHZSSD-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO CSCC[C@@H]([NH3+])CN[C@@H]1C[C@H]1C 307998534 572362581 /nfs/dbraw/zinc/36/25/81/572362581.db2.gz DXSSUZFPHXGMBB-IWSPIJDZSA-N 1 3 188.340 1.065 10 0 ADAEHO CC[C@@H]1CCC[N@H+](C)C[C@@H]1N 76591953 572362614 /nfs/dbraw/zinc/36/26/14/572362614.db2.gz HASQBNUDKVMNFH-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](C)C[C@@H]1N 76591953 572362618 /nfs/dbraw/zinc/36/26/18/572362618.db2.gz HASQBNUDKVMNFH-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CSCC[C@@H]([NH3+])CN[C@H]1C[C@H]1C 307998532 572362946 /nfs/dbraw/zinc/36/29/46/572362946.db2.gz DXSSUZFPHXGMBB-HLTSFMKQSA-N 1 3 188.340 1.065 10 0 ADAEHO C[C@@H]1CC[N@H+](C)C[C@@](C)(N)C1 76592084 572363919 /nfs/dbraw/zinc/36/39/19/572363919.db2.gz GMLAVKPPXOSAAC-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+](C)C[C@@](C)(N)C1 76592084 572363921 /nfs/dbraw/zinc/36/39/21/572363921.db2.gz GMLAVKPPXOSAAC-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H]1C[C@@H]1NC[C@H]([NH3+])CC 307999803 572364427 /nfs/dbraw/zinc/36/44/27/572364427.db2.gz GERHUZHCTSAOJU-AEJSXWLSSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)C[C@H]([NH3+])CNCCCF 307998593 572364646 /nfs/dbraw/zinc/36/46/46/572364646.db2.gz FDSYBDXOICKGGD-VIFPVBQESA-N 1 3 176.279 1.309 10 0 ADAEHO CCC[C@@](C)([NH3+])CNCCCF 307998578 572365208 /nfs/dbraw/zinc/36/52/08/572365208.db2.gz FCKGIHCWKCAICM-SECBINFHSA-N 1 3 176.279 1.453 10 0 ADAEHO [NH3+]C1(CNCCCF)CCCC1 307999114 572365393 /nfs/dbraw/zinc/36/53/93/572365393.db2.gz FMFXWRHKRQBOCN-UHFFFAOYSA-N 1 3 174.263 1.207 10 0 ADAEHO CCC[C@](C)([NH3+])CNCCCF 307998579 572365738 /nfs/dbraw/zinc/36/57/38/572365738.db2.gz FCKGIHCWKCAICM-VIFPVBQESA-N 1 3 176.279 1.453 10 0 ADAEHO CC(C)C[C@@H]([NH3+])CNCCCF 307998592 572366126 /nfs/dbraw/zinc/36/61/26/572366126.db2.gz FDSYBDXOICKGGD-SECBINFHSA-N 1 3 176.279 1.309 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H]1C1CCCC1 76597120 572371991 /nfs/dbraw/zinc/37/19/91/572371991.db2.gz UIFCOIHUDPUPFK-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[C@H](CN)C[NH2+]CCCF 307995191 572370125 /nfs/dbraw/zinc/37/01/25/572370125.db2.gz BDYDSRGOCVHOBL-SECBINFHSA-N 1 3 176.279 1.311 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]CCCF 307995192 572370510 /nfs/dbraw/zinc/37/05/10/572370510.db2.gz BDYDSRGOCVHOBL-VIFPVBQESA-N 1 3 176.279 1.311 10 0 ADAEHO CN1CCC[C@@]2(C1)[C@H]([NH3+])C2(C)C 76597056 572371373 /nfs/dbraw/zinc/37/13/73/572371373.db2.gz ASCDELDXAMBNNC-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC1([NH3+])C[C@@H]2CC[C@H](C1)N2C 76596829 572371692 /nfs/dbraw/zinc/37/16/92/572371692.db2.gz BDCZBSSKNOJKPO-ULKQDVFKSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CC[C@@H]2CN(C)CC[C@@H]2[NH2+]1 76597013 572372185 /nfs/dbraw/zinc/37/21/85/572372185.db2.gz BUFNBMZFJKHCBW-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@@]2(CCCNC2)[N@@H+]1C 76596996 572372326 /nfs/dbraw/zinc/37/23/26/572372326.db2.gz OBZQQSRVGXIDBI-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CC[C@@]2(CCCNC2)[N@H+]1C 76596996 572372331 /nfs/dbraw/zinc/37/23/31/572372331.db2.gz OBZQQSRVGXIDBI-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1C[C@H]2CCN(C)CC[C@@H]2[NH2+]1 76596915 572372498 /nfs/dbraw/zinc/37/24/98/572372498.db2.gz RZACDENGNOSREP-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@H]2CN(C)CC[C@@H]2[NH2+]1 76597017 572372562 /nfs/dbraw/zinc/37/25/62/572372562.db2.gz BUFNBMZFJKHCBW-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@]1([NH3+])CCN2CCC1CC2 76597101 572372789 /nfs/dbraw/zinc/37/27/89/572372789.db2.gz ZASXIFSMHPMBRJ-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO C[NH2+][C@]1(C)CCN2CCC1CC2 76597094 572372823 /nfs/dbraw/zinc/37/28/23/572372823.db2.gz PDHRSBWOLGSPCA-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CC[C@@H]2CNCC[C@@H]2[N@@H+]1C 76597021 572372936 /nfs/dbraw/zinc/37/29/36/572372936.db2.gz CEUNHBLRICLKKZ-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@@H]2CNCC[C@@H]2[N@H+]1C 76597021 572372940 /nfs/dbraw/zinc/37/29/40/572372940.db2.gz CEUNHBLRICLKKZ-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H]1C1CCCC1 76597118 572373318 /nfs/dbraw/zinc/37/33/18/572373318.db2.gz UIFCOIHUDPUPFK-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO CN1CCC[C@]2(C1)[C@H]([NH3+])C2(C)C 76597052 572373390 /nfs/dbraw/zinc/37/33/90/572373390.db2.gz ASCDELDXAMBNNC-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC[C@@H]([NH2+]CCCN)C1CC1 307996716 572373869 /nfs/dbraw/zinc/37/38/69/572373869.db2.gz CLXAMYMKOYHBGS-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO CN1CCC[C@]2(C1)[C@@H]([NH3+])C2(C)C 76597049 572373990 /nfs/dbraw/zinc/37/39/90/572373990.db2.gz ASCDELDXAMBNNC-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[NH2+]C1(C)C[C@@H]2CC[C@H](C1)N2C 76597100 572374227 /nfs/dbraw/zinc/37/42/27/572374227.db2.gz LNFBWFRBTSYWJU-ULKQDVFKSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H]2CN(C)CCC[C@@H]2[NH2+]1 76596908 572374269 /nfs/dbraw/zinc/37/42/69/572374269.db2.gz NXTRMSYIDDXMES-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[C@]2(CCCNC2)[N@@H+]1C 76596994 572374578 /nfs/dbraw/zinc/37/45/78/572374578.db2.gz OBZQQSRVGXIDBI-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CC[C@]2(CCCNC2)[N@H+]1C 76596994 572374586 /nfs/dbraw/zinc/37/45/86/572374586.db2.gz OBZQQSRVGXIDBI-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO CN1CCCC[C@@H]2C[C@@H]([NH3+])C[C@@H]21 76596957 572374706 /nfs/dbraw/zinc/37/47/06/572374706.db2.gz GMCTYWJLXGPXGV-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@@]2(CCCNC2)[N@@H+]1C 76596998 572374768 /nfs/dbraw/zinc/37/47/68/572374768.db2.gz OBZQQSRVGXIDBI-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CC[C@@]2(CCCNC2)[N@H+]1C 76596998 572374774 /nfs/dbraw/zinc/37/47/74/572374774.db2.gz OBZQQSRVGXIDBI-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH2+][C@@]1(C)CCN2CCC1CC2 76597092 572374884 /nfs/dbraw/zinc/37/48/84/572374884.db2.gz PDHRSBWOLGSPCA-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[C@H]([NH2+]CCCN)C1CC1 307996715 572375006 /nfs/dbraw/zinc/37/50/06/572375006.db2.gz CLXAMYMKOYHBGS-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@@]1([NH3+])CCN2CCC1CC2 76597103 572375050 /nfs/dbraw/zinc/37/50/50/572375050.db2.gz ZASXIFSMHPMBRJ-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1CC[C@H]2CNCC[C@@H]2[N@@H+]1C 76597025 572375178 /nfs/dbraw/zinc/37/51/78/572375178.db2.gz CEUNHBLRICLKKZ-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@H]2CNCC[C@@H]2[N@H+]1C 76597025 572375180 /nfs/dbraw/zinc/37/51/80/572375180.db2.gz CEUNHBLRICLKKZ-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@]2(CCCNC2)[N@@H+]1C 76596992 572375243 /nfs/dbraw/zinc/37/52/43/572375243.db2.gz OBZQQSRVGXIDBI-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CC[C@]2(CCCNC2)[N@H+]1C 76596992 572375246 /nfs/dbraw/zinc/37/52/46/572375246.db2.gz OBZQQSRVGXIDBI-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO Cc1c(CN)sc(C[NH3+])c1C 44236505 572375557 /nfs/dbraw/zinc/37/55/57/572375557.db2.gz CEEOGJIFUSVWJM-UHFFFAOYSA-N 1 3 170.281 1.282 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 236338458 572376438 /nfs/dbraw/zinc/37/64/38/572376438.db2.gz MJQFMSAFYUVOJK-WDEREUQCSA-N 1 3 194.322 1.646 10 0 ADAEHO [NH3+]C/C=C/CNCCC(F)(F)F 308003942 572377458 /nfs/dbraw/zinc/37/74/58/572377458.db2.gz KAUAPDITOSDLJL-OWOJBTEDSA-N 1 3 182.189 1.043 10 0 ADAEHO [NH3+]C/C=C\CNCCC(F)(F)F 308003943 572378886 /nfs/dbraw/zinc/37/88/86/572378886.db2.gz KAUAPDITOSDLJL-UPHRSURJSA-N 1 3 182.189 1.043 10 0 ADAEHO C[C@@H]1CC[C@H](CCN)[N@H+](C)CC1 76598375 572379201 /nfs/dbraw/zinc/37/92/01/572379201.db2.gz CVRGEVOJVQACGW-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CC[C@H](CCN)[N@@H+](C)CC1 76598375 572379204 /nfs/dbraw/zinc/37/92/04/572379204.db2.gz CVRGEVOJVQACGW-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@]1(N)C[C@@H](C)CC[N@H+](C)C1 76598365 572379370 /nfs/dbraw/zinc/37/93/70/572379370.db2.gz MFHJQOPHISQOMB-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@]1(N)C[C@@H](C)CC[N@@H+](C)C1 76598365 572379372 /nfs/dbraw/zinc/37/93/72/572379372.db2.gz MFHJQOPHISQOMB-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+](C)C[C@@H]1N 76598340 572379437 /nfs/dbraw/zinc/37/94/37/572379437.db2.gz JWBZMQGEKMSRIC-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+](C)C[C@@H]1N 76598340 572379441 /nfs/dbraw/zinc/37/94/41/572379441.db2.gz JWBZMQGEKMSRIC-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC(CC)[N@H+](CC)CCCN 87156876 572379526 /nfs/dbraw/zinc/37/95/26/572379526.db2.gz UHWIYLIMZSLQCB-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC(CC)[N@@H+](CC)CCCN 87156876 572379529 /nfs/dbraw/zinc/37/95/29/572379529.db2.gz UHWIYLIMZSLQCB-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC(CC)[NH2+]C[C@H]1CCCN1 87156874 572379780 /nfs/dbraw/zinc/37/97/80/572379780.db2.gz AFXWWJFHGIPXKK-SNVBAGLBSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@]1(N)C[C@@H](C)CC[N@H+](C)C1 76598366 572379781 /nfs/dbraw/zinc/37/97/81/572379781.db2.gz MFHJQOPHISQOMB-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@]1(N)C[C@@H](C)CC[N@@H+](C)C1 76598366 572379784 /nfs/dbraw/zinc/37/97/84/572379784.db2.gz MFHJQOPHISQOMB-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO NCC[C@@H]1CCC[N@@H+]1CCCF 308005428 572379829 /nfs/dbraw/zinc/37/98/29/572379829.db2.gz LICMJEUGPFFXLE-VIFPVBQESA-N 1 3 174.263 1.159 10 0 ADAEHO NCC[C@@H]1CCC[N@H+]1CCCF 308005428 572379832 /nfs/dbraw/zinc/37/98/32/572379832.db2.gz LICMJEUGPFFXLE-VIFPVBQESA-N 1 3 174.263 1.159 10 0 ADAEHO CCC(CC)[NH2+]CCCNC1CC1 87156830 572379837 /nfs/dbraw/zinc/37/98/37/572379837.db2.gz VUOLTDPRIQOMHQ-UHFFFAOYSA-N 1 3 184.327 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H](CCN)[N@H+](C)CC1 76598379 572380011 /nfs/dbraw/zinc/38/00/11/572380011.db2.gz CVRGEVOJVQACGW-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H](CCN)[N@@H+](C)CC1 76598379 572380013 /nfs/dbraw/zinc/38/00/13/572380013.db2.gz CVRGEVOJVQACGW-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)[NH2+][C@@H](CC)CCN 87155924 572380174 /nfs/dbraw/zinc/38/01/74/572380174.db2.gz HZTFNYONUYDBRN-JTQLQIEISA-N 1 3 172.316 1.892 10 0 ADAEHO CCNC1=NC/C(=C/C[NH+](C)C)S1 308004838 572380223 /nfs/dbraw/zinc/38/02/23/572380223.db2.gz BAHAWVRMGQXXIK-YVMONPNESA-N 1 3 199.323 1.144 10 0 ADAEHO CC[C@H](C)[C@H]1CN(C)CC[C@@H]1[NH3+] 76598334 572380363 /nfs/dbraw/zinc/38/03/63/572380363.db2.gz FNMDSFPZEQBYCU-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC(CC)[NH2+]CCCNC 87156816 572380417 /nfs/dbraw/zinc/38/04/17/572380417.db2.gz SMVZIUYFEGHSOB-UHFFFAOYSA-N 1 3 158.289 1.374 10 0 ADAEHO CCC(CC)N(CCC(N)=[NH2+])C1CC1 87157559 572380448 /nfs/dbraw/zinc/38/04/48/572380448.db2.gz ASJQURVRBQSGDC-UHFFFAOYSA-N 1 3 197.326 1.965 10 0 ADAEHO CCC[C@H]1CCC[N@H+](C)C[C@@H]1N 76598345 572380464 /nfs/dbraw/zinc/38/04/64/572380464.db2.gz WVPHRTDFKAJJSY-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H]1CCC[N@@H+](C)C[C@@H]1N 76598345 572380466 /nfs/dbraw/zinc/38/04/66/572380466.db2.gz WVPHRTDFKAJJSY-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H]1CCC[N@H+](C)C[C@@H]1N 76598343 572380634 /nfs/dbraw/zinc/38/06/34/572380634.db2.gz WVPHRTDFKAJJSY-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H]1CCC[N@@H+](C)C[C@@H]1N 76598343 572380635 /nfs/dbraw/zinc/38/06/35/572380635.db2.gz WVPHRTDFKAJJSY-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)[NH2+]C[C@H]1CCCNC1 87156859 572380647 /nfs/dbraw/zinc/38/06/47/572380647.db2.gz JJUABIJUQPDQOG-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CCC(CC)N(CC)CCC(N)=[NH2+] 87157556 572380726 /nfs/dbraw/zinc/38/07/26/572380726.db2.gz OBIRSVNOZIHJAN-UHFFFAOYSA-N 1 3 185.315 1.823 10 0 ADAEHO CCC(CC)NC[C@@H]1CCCC[NH2+]1 87156853 572380775 /nfs/dbraw/zinc/38/07/75/572380775.db2.gz JDZHKKJAQXJVRF-NSHDSACASA-N 1 3 184.327 1.907 10 0 ADAEHO CCC(CC)[NH2+]CC[C@H](C)N 87156898 572380802 /nfs/dbraw/zinc/38/08/02/572380802.db2.gz KIRVLHCJIQFLMR-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO CCC(CC)NC[C@H]1CCCC[NH2+]1 87156855 572380818 /nfs/dbraw/zinc/38/08/18/572380818.db2.gz JDZHKKJAQXJVRF-LLVKDONJSA-N 1 3 184.327 1.907 10 0 ADAEHO CCC(CC)[NH2+]C[C@H](C)CN 87155920 572380913 /nfs/dbraw/zinc/38/09/13/572380913.db2.gz OPCIDTLKWPLBNH-MRVPVSSYSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[NH2+][C@@H](C)CCNCCCF 308000830 572380922 /nfs/dbraw/zinc/38/09/22/572380922.db2.gz HHFNKXISAAVGTR-VIFPVBQESA-N 1 3 176.279 1.324 10 0 ADAEHO CC[C@H](C)[C@@H]1CN(C)CC[C@@H]1[NH3+] 76598330 572381101 /nfs/dbraw/zinc/38/11/01/572381101.db2.gz FNMDSFPZEQBYCU-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO NCC[C@H]1CCC[N@@H+]1CCCF 308005427 572381124 /nfs/dbraw/zinc/38/11/24/572381124.db2.gz LICMJEUGPFFXLE-SECBINFHSA-N 1 3 174.263 1.159 10 0 ADAEHO NCC[C@H]1CCC[N@H+]1CCCF 308005427 572381130 /nfs/dbraw/zinc/38/11/30/572381130.db2.gz LICMJEUGPFFXLE-SECBINFHSA-N 1 3 174.263 1.159 10 0 ADAEHO CCC(CC)[NH2+]C[C@@H]1CCCN1 87156873 572381535 /nfs/dbraw/zinc/38/15/35/572381535.db2.gz AFXWWJFHGIPXKK-JTQLQIEISA-N 1 3 170.300 1.517 10 0 ADAEHO CCC(CC)[NH2+]C[C@@H](C)CN 87155918 572381613 /nfs/dbraw/zinc/38/16/13/572381613.db2.gz OPCIDTLKWPLBNH-QMMMGPOBSA-N 1 3 158.289 1.359 10 0 ADAEHO CCNCCC[NH2+]C(CC)CC 87156828 572381785 /nfs/dbraw/zinc/38/17/85/572381785.db2.gz KDYFUNNCIQIEMO-UHFFFAOYSA-N 1 3 172.316 1.764 10 0 ADAEHO CCCCCC[C@H]([NH3+])CNCC 238222921 572381903 /nfs/dbraw/zinc/38/19/03/572381903.db2.gz GRYPJJDQUNLHDI-JTQLQIEISA-N 1 3 172.316 1.894 10 0 ADAEHO C[C@H]1CC[C@H](CCN)[N@H+](C)CC1 76598377 572381968 /nfs/dbraw/zinc/38/19/68/572381968.db2.gz CVRGEVOJVQACGW-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CC[C@H](CCN)[N@@H+](C)CC1 76598377 572381972 /nfs/dbraw/zinc/38/19/72/572381972.db2.gz CVRGEVOJVQACGW-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)[NH2+][C@H](CC)CCN 87155926 572382035 /nfs/dbraw/zinc/38/20/35/572382035.db2.gz HZTFNYONUYDBRN-SNVBAGLBSA-N 1 3 172.316 1.892 10 0 ADAEHO CC[C@@]1(N)C[C@H](C)CC[N@H+](C)C1 76598363 572382057 /nfs/dbraw/zinc/38/20/57/572382057.db2.gz MFHJQOPHISQOMB-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@]1(N)C[C@H](C)CC[N@@H+](C)C1 76598363 572382063 /nfs/dbraw/zinc/38/20/63/572382063.db2.gz MFHJQOPHISQOMB-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)N[C@@H]1CCCC[NH2+]C1 87156972 572382113 /nfs/dbraw/zinc/38/21/13/572382113.db2.gz NDEWZIIOZZYUGJ-LLVKDONJSA-N 1 3 184.327 1.907 10 0 ADAEHO CC[NH2+][C@H](C)CCNCCCF 308000829 572382185 /nfs/dbraw/zinc/38/21/85/572382185.db2.gz HHFNKXISAAVGTR-SECBINFHSA-N 1 3 176.279 1.324 10 0 ADAEHO C[C@H]1CC[C@@H](CCN)[N@H+](C)CC1 76598380 572382202 /nfs/dbraw/zinc/38/22/02/572382202.db2.gz CVRGEVOJVQACGW-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CC[C@@H](CCN)[N@@H+](C)CC1 76598380 572382205 /nfs/dbraw/zinc/38/22/05/572382205.db2.gz CVRGEVOJVQACGW-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)[NH2+]C[C@@H]1CCCNC1 87156857 572382313 /nfs/dbraw/zinc/38/23/13/572382313.db2.gz JJUABIJUQPDQOG-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@]1(N)C[C@H](C)CC[N@H+](C)C1 76598361 572382364 /nfs/dbraw/zinc/38/23/64/572382364.db2.gz MFHJQOPHISQOMB-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)[NH2+][C@H](C)CCN 87155911 572382365 /nfs/dbraw/zinc/38/23/65/572382365.db2.gz IJDAZMASSFHYIW-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CC[C@]1(N)C[C@H](C)CC[N@@H+](C)C1 76598361 572382369 /nfs/dbraw/zinc/38/23/69/572382369.db2.gz MFHJQOPHISQOMB-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)[NH2+]CC[C@@H](C)N 87156896 572382775 /nfs/dbraw/zinc/38/27/75/572382775.db2.gz KIRVLHCJIQFLMR-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CC(C)[N@H+](C)C[C@H]1CCCC[C@@H]1N 60720801 572385827 /nfs/dbraw/zinc/38/58/27/572385827.db2.gz ITAKXPXBGWYTHP-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)C[C@H]1CCCC[C@@H]1N 60720801 572385831 /nfs/dbraw/zinc/38/58/31/572385831.db2.gz ITAKXPXBGWYTHP-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)N(C)C[C@H]1CCCC[C@@H]1[NH3+] 60720801 572385834 /nfs/dbraw/zinc/38/58/34/572385834.db2.gz ITAKXPXBGWYTHP-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)C[C@@H]1CCCC[C@@H]1N 60720800 572386300 /nfs/dbraw/zinc/38/63/00/572386300.db2.gz ITAKXPXBGWYTHP-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1N 60720800 572386303 /nfs/dbraw/zinc/38/63/03/572386303.db2.gz ITAKXPXBGWYTHP-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)N(C)C[C@@H]1CCCC[C@@H]1[NH3+] 60720800 572386305 /nfs/dbraw/zinc/38/63/05/572386305.db2.gz ITAKXPXBGWYTHP-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+]C/C=C/CNCc1cccs1 308002171 572387168 /nfs/dbraw/zinc/38/71/68/572387168.db2.gz IFYJRIXVVNQIEN-OWOJBTEDSA-N 1 3 182.292 1.353 10 0 ADAEHO [NH3+]C/C=C\CNCc1cccs1 308002173 572386756 /nfs/dbraw/zinc/38/67/56/572386756.db2.gz IFYJRIXVVNQIEN-UPHRSURJSA-N 1 3 182.292 1.353 10 0 ADAEHO CC[C@@H](C)[C@](C)(C[NH3+])N1CCC1 308006185 572388030 /nfs/dbraw/zinc/38/80/30/572388030.db2.gz DIFIAEKQBQSBSR-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]C(C)C 87187335 572389920 /nfs/dbraw/zinc/38/99/20/572389920.db2.gz PUHXFPDZOGJYHR-JTQLQIEISA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]C1CCC1 87187589 572389928 /nfs/dbraw/zinc/38/99/28/572389928.db2.gz VBTCPSBNERPCRM-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[N@@H+](C)C[C@H](CN)CC(C)C 87187190 572390620 /nfs/dbraw/zinc/39/06/20/572390620.db2.gz BFKKGKPYDXOLOS-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN(C)C 87187134 572390157 /nfs/dbraw/zinc/39/01/57/572390157.db2.gz WATQOHGLDPUREP-VIFPVBQESA-N 1 3 158.289 1.169 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H](CN)CC(C)C 87187348 572390199 /nfs/dbraw/zinc/39/01/99/572390199.db2.gz DPBZIKWZTVEUDU-GHMZBOCLSA-N 1 3 186.343 1.996 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]CC1CC1 87187377 572390413 /nfs/dbraw/zinc/39/04/13/572390413.db2.gz SUJAKQWUECZODA-NSHDSACASA-N 1 3 184.327 1.607 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN(C)C 87187136 572390448 /nfs/dbraw/zinc/39/04/48/572390448.db2.gz WATQOHGLDPUREP-SECBINFHSA-N 1 3 158.289 1.169 10 0 ADAEHO CCC[N@H+](C)C[C@H](CN)CC(C)C 87187190 572390618 /nfs/dbraw/zinc/39/06/18/572390618.db2.gz BFKKGKPYDXOLOS-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+][C@H]1CC1(C)C 87187554 572390578 /nfs/dbraw/zinc/39/05/78/572390578.db2.gz IKJQTFNSNJLMBP-QWRGUYRKSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN[C@H]1CC1(C)C 87187554 572390581 /nfs/dbraw/zinc/39/05/81/572390581.db2.gz IKJQTFNSNJLMBP-QWRGUYRKSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@@H+]1CC[C@@H](C)C1 87187405 572390601 /nfs/dbraw/zinc/39/06/01/572390601.db2.gz KDXAQQIWIIKGCK-NEPJUHHUSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@H+]1CC[C@@H](C)C1 87187405 572390604 /nfs/dbraw/zinc/39/06/04/572390604.db2.gz KDXAQQIWIIKGCK-NEPJUHHUSA-N 1 3 198.354 1.949 10 0 ADAEHO CCCN(C)C[C@H](C[NH3+])CC(C)C 87187190 572390624 /nfs/dbraw/zinc/39/06/24/572390624.db2.gz BFKKGKPYDXOLOS-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+][C@@H]1CC1(C)C 87187551 572390645 /nfs/dbraw/zinc/39/06/45/572390645.db2.gz IKJQTFNSNJLMBP-WDEREUQCSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN[C@@H]1CC1(C)C 87187551 572390649 /nfs/dbraw/zinc/39/06/49/572390649.db2.gz IKJQTFNSNJLMBP-WDEREUQCSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[NH2+]C[C@H](CN)CC(C)C 87187372 572390659 /nfs/dbraw/zinc/39/06/59/572390659.db2.gz YIZHCDXINJLROZ-VIFPVBQESA-N 1 3 158.289 1.217 10 0 ADAEHO CCCC[NH2+]C[C@@H](CN)CC(C)C 87187387 572390665 /nfs/dbraw/zinc/39/06/65/572390665.db2.gz XLVSRZUPVYIMDZ-LLVKDONJSA-N 1 3 186.343 1.997 10 0 ADAEHO CC(C)C[C@H](CN)C[N@H+](C)C(C)C 87187113 572390710 /nfs/dbraw/zinc/39/07/10/572390710.db2.gz NUGQFWUOCIYWFM-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@H](CN)C[N@@H+](C)C(C)C 87187113 572390713 /nfs/dbraw/zinc/39/07/13/572390713.db2.gz NUGQFWUOCIYWFM-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN(C)C(C)C 87187113 572390715 /nfs/dbraw/zinc/39/07/15/572390715.db2.gz NUGQFWUOCIYWFM-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H](CN)CC(C)C 87187345 572390980 /nfs/dbraw/zinc/39/09/80/572390980.db2.gz DPBZIKWZTVEUDU-QWRGUYRKSA-N 1 3 186.343 1.996 10 0 ADAEHO CC[N@H+](C)C[C@H](CN)CC(C)C 87187154 572391214 /nfs/dbraw/zinc/39/12/14/572391214.db2.gz WDHFGCIIUNFSDW-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC[N@@H+](C)C[C@H](CN)CC(C)C 87187154 572391221 /nfs/dbraw/zinc/39/12/21/572391221.db2.gz WDHFGCIIUNFSDW-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]C(C)(C)C 87187332 572391251 /nfs/dbraw/zinc/39/12/51/572391251.db2.gz RAPGHDRDXIALKR-JTQLQIEISA-N 1 3 186.343 1.996 10 0 ADAEHO CCN(C)C[C@H](C[NH3+])CC(C)C 87187154 572391225 /nfs/dbraw/zinc/39/12/25/572391225.db2.gz WDHFGCIIUNFSDW-JTQLQIEISA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]C1CC1 87187356 572391262 /nfs/dbraw/zinc/39/12/62/572391262.db2.gz CIWRLEBWVKPNAC-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CNC1CC1 87187356 572391266 /nfs/dbraw/zinc/39/12/66/572391266.db2.gz CIWRLEBWVKPNAC-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO CC[NH+](CC)C[C@@H](CN)CC(C)C 87187061 572391448 /nfs/dbraw/zinc/39/14/48/572391448.db2.gz SZKKJAMQSHTXAJ-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCN(CC)C[C@@H](C[NH3+])CC(C)C 87187061 572391453 /nfs/dbraw/zinc/39/14/53/572391453.db2.gz SZKKJAMQSHTXAJ-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[N@H+](C)C[C@@H](CN)CC(C)C 87187192 572391543 /nfs/dbraw/zinc/39/15/43/572391543.db2.gz BFKKGKPYDXOLOS-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[N@@H+](C)C[C@@H](CN)CC(C)C 87187192 572391549 /nfs/dbraw/zinc/39/15/49/572391549.db2.gz BFKKGKPYDXOLOS-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCCN(C)C[C@@H](C[NH3+])CC(C)C 87187192 572391552 /nfs/dbraw/zinc/39/15/52/572391552.db2.gz BFKKGKPYDXOLOS-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]C1CC1 87187358 572391692 /nfs/dbraw/zinc/39/16/92/572391692.db2.gz CIWRLEBWVKPNAC-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CNC1CC1 87187358 572391699 /nfs/dbraw/zinc/39/16/99/572391699.db2.gz CIWRLEBWVKPNAC-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[NH+](CC)C[C@H](CN)CC(C)C 87187059 572391839 /nfs/dbraw/zinc/39/18/39/572391839.db2.gz SZKKJAMQSHTXAJ-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCN(CC)C[C@H](C[NH3+])CC(C)C 87187059 572391841 /nfs/dbraw/zinc/39/18/41/572391841.db2.gz SZKKJAMQSHTXAJ-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)C[C@H](CN)C[NH+]1CCCC1 87187053 572392018 /nfs/dbraw/zinc/39/20/18/572392018.db2.gz PSDYTDIGTXGOOO-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]C(C)C 87187337 572392099 /nfs/dbraw/zinc/39/20/99/572392099.db2.gz PUHXFPDZOGJYHR-SNVBAGLBSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[N@H+](C)C[C@@H](CN)CC(C)C 87187157 572392155 /nfs/dbraw/zinc/39/21/55/572392155.db2.gz WDHFGCIIUNFSDW-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC[N@@H+](C)C[C@@H](CN)CC(C)C 87187157 572392159 /nfs/dbraw/zinc/39/21/59/572392159.db2.gz WDHFGCIIUNFSDW-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CCN(C)C[C@@H](C[NH3+])CC(C)C 87187157 572392163 /nfs/dbraw/zinc/39/21/63/572392163.db2.gz WDHFGCIIUNFSDW-SNVBAGLBSA-N 1 3 172.316 1.559 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH+]1CCCC1 87187050 572392968 /nfs/dbraw/zinc/39/29/68/572392968.db2.gz PSDYTDIGTXGOOO-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@H+](C)CC1CC1 87187307 572392210 /nfs/dbraw/zinc/39/22/10/572392210.db2.gz BKKLXUPXWJSZTD-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@@H+](C)CC1CC1 87187307 572392216 /nfs/dbraw/zinc/39/22/16/572392216.db2.gz BKKLXUPXWJSZTD-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN(C)CC1CC1 87187307 572392232 /nfs/dbraw/zinc/39/22/32/572392232.db2.gz BKKLXUPXWJSZTD-LBPRGKRZSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]C1CCC1 87187587 572392757 /nfs/dbraw/zinc/39/27/57/572392757.db2.gz VBTCPSBNERPCRM-JTQLQIEISA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN(C)C1CC1 87187163 572392806 /nfs/dbraw/zinc/39/28/06/572392806.db2.gz XQWFKDZVRYBKHN-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+][C@H]1CC1(C)C 87187556 572392913 /nfs/dbraw/zinc/39/29/13/572392913.db2.gz IKJQTFNSNJLMBP-MNOVXSKESA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN[C@H]1CC1(C)C 87187556 572392917 /nfs/dbraw/zinc/39/29/17/572392917.db2.gz IKJQTFNSNJLMBP-MNOVXSKESA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]CC1CC1 87187379 572393040 /nfs/dbraw/zinc/39/30/40/572393040.db2.gz SUJAKQWUECZODA-LLVKDONJSA-N 1 3 184.327 1.607 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+][C@@H]1CC1(C)C 87187553 572393306 /nfs/dbraw/zinc/39/33/06/572393306.db2.gz IKJQTFNSNJLMBP-GHMZBOCLSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN[C@@H]1CC1(C)C 87187553 572393313 /nfs/dbraw/zinc/39/33/13/572393313.db2.gz IKJQTFNSNJLMBP-GHMZBOCLSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]CCC1CC1 87187792 572393351 /nfs/dbraw/zinc/39/33/51/572393351.db2.gz VAOBNNSIIFWCGQ-LBPRGKRZSA-N 1 3 198.354 1.997 10 0 ADAEHO CC(C)C[C@H](CN)C[N@H+](C)CC1CC1 87187308 572393415 /nfs/dbraw/zinc/39/34/15/572393415.db2.gz BKKLXUPXWJSZTD-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@H](CN)C[N@@H+](C)CC1CC1 87187308 572393421 /nfs/dbraw/zinc/39/34/21/572393421.db2.gz BKKLXUPXWJSZTD-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN(C)CC1CC1 87187308 572393428 /nfs/dbraw/zinc/39/34/28/572393428.db2.gz BKKLXUPXWJSZTD-GFCCVEGCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[NH2+]C[C@@H](CN)CC(C)C 87187362 572393455 /nfs/dbraw/zinc/39/34/55/572393455.db2.gz IHKSEYOOWHCOFI-LLVKDONJSA-N 1 3 186.343 1.853 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN(C)C1CC1 87187164 572393474 /nfs/dbraw/zinc/39/34/74/572393474.db2.gz XQWFKDZVRYBKHN-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@H](CN)CC(C)C 87187354 572393524 /nfs/dbraw/zinc/39/35/24/572393524.db2.gz DPBZIKWZTVEUDU-WDEREUQCSA-N 1 3 186.343 1.996 10 0 ADAEHO CC[NH2+]C[C@@H](CN)CC(C)C 87187374 572393551 /nfs/dbraw/zinc/39/35/51/572393551.db2.gz YIZHCDXINJLROZ-SECBINFHSA-N 1 3 158.289 1.217 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@@H+]1CC[C@H](C)C1 87187408 572393578 /nfs/dbraw/zinc/39/35/78/572393578.db2.gz KDXAQQIWIIKGCK-RYUDHWBXSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@H+]1CC[C@H](C)C1 87187408 572393583 /nfs/dbraw/zinc/39/35/83/572393583.db2.gz KDXAQQIWIIKGCK-RYUDHWBXSA-N 1 3 198.354 1.949 10 0 ADAEHO CCCC[NH2+]C[C@H](CN)CC(C)C 87187384 572393773 /nfs/dbraw/zinc/39/37/73/572393773.db2.gz XLVSRZUPVYIMDZ-NSHDSACASA-N 1 3 186.343 1.997 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]CCC1CC1 87187794 572393847 /nfs/dbraw/zinc/39/38/47/572393847.db2.gz VAOBNNSIIFWCGQ-GFCCVEGCSA-N 1 3 198.354 1.997 10 0 ADAEHO CCC[NH2+]C[C@@H](CN)CC(C)C 87187329 572393880 /nfs/dbraw/zinc/39/38/80/572393880.db2.gz PFIGWSNRCOUORW-SNVBAGLBSA-N 1 3 172.316 1.607 10 0 ADAEHO CC(C)C[NH2+]C[C@H](CN)CC(C)C 87187360 572393943 /nfs/dbraw/zinc/39/39/43/572393943.db2.gz IHKSEYOOWHCOFI-NSHDSACASA-N 1 3 186.343 1.853 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H](CN)CC(C)C 87187343 572394095 /nfs/dbraw/zinc/39/40/95/572394095.db2.gz DPBZIKWZTVEUDU-MNOVXSKESA-N 1 3 186.343 1.996 10 0 ADAEHO CC[C@@H](C)NCC[NH2+]CCCF 308007318 572394101 /nfs/dbraw/zinc/39/41/01/572394101.db2.gz NAOGLBJCFFDSEA-SECBINFHSA-N 1 3 176.279 1.324 10 0 ADAEHO CC[C@@H](C)N[C@@](CC)(C[NH3+])COC 83760642 572394482 /nfs/dbraw/zinc/39/44/82/572394482.db2.gz YRUPQEODBKDTOK-ZJUUUORDSA-N 1 3 188.315 1.128 10 0 ADAEHO CCC[NH2+]C[C@H](CN)CC(C)C 87187327 572394171 /nfs/dbraw/zinc/39/41/71/572394171.db2.gz PFIGWSNRCOUORW-JTQLQIEISA-N 1 3 172.316 1.607 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]C(C)(C)C 87187333 572394179 /nfs/dbraw/zinc/39/41/79/572394179.db2.gz RAPGHDRDXIALKR-SNVBAGLBSA-N 1 3 186.343 1.996 10 0 ADAEHO CC[C@H](C)NCC[NH2+]CCCF 308007319 572394295 /nfs/dbraw/zinc/39/42/95/572394295.db2.gz NAOGLBJCFFDSEA-VIFPVBQESA-N 1 3 176.279 1.324 10 0 ADAEHO CC[C@H](C)N[C@](CC)(C[NH3+])COC 83760649 572394367 /nfs/dbraw/zinc/39/43/67/572394367.db2.gz YRUPQEODBKDTOK-VHSXEESVSA-N 1 3 188.315 1.128 10 0 ADAEHO CC[C@@H](C)N[C@](CC)(C[NH3+])COC 83760647 572394653 /nfs/dbraw/zinc/39/46/53/572394653.db2.gz YRUPQEODBKDTOK-NXEZZACHSA-N 1 3 188.315 1.128 10 0 ADAEHO CC(C)(C)SCCNCCC[NH3+] 308009275 572395385 /nfs/dbraw/zinc/39/53/85/572395385.db2.gz OEOFSZSWTPEFMS-UHFFFAOYSA-N 1 3 190.356 1.457 10 0 ADAEHO CC(C)(C)SCC[NH2+]CCCN 308009275 572395390 /nfs/dbraw/zinc/39/53/90/572395390.db2.gz OEOFSZSWTPEFMS-UHFFFAOYSA-N 1 3 190.356 1.457 10 0 ADAEHO CC[C@H](C)N[C@@](CC)(C[NH3+])COC 83760645 572398090 /nfs/dbraw/zinc/39/80/90/572398090.db2.gz YRUPQEODBKDTOK-UWVGGRQHSA-N 1 3 188.315 1.128 10 0 ADAEHO NCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 308016642 572401415 /nfs/dbraw/zinc/40/14/15/572401415.db2.gz SBBZNZHXYPWXCE-IVZWLZJFSA-N 1 3 168.284 1.113 10 0 ADAEHO [NH3+]CC1(NC[C@@H]2CCCO2)CCCC1 83774393 572399705 /nfs/dbraw/zinc/39/97/05/572399705.db2.gz ZCDZVRSPGUANAZ-JTQLQIEISA-N 1 3 198.310 1.027 10 0 ADAEHO CCCCC(CC)(CN)C[NH3+] 238231445 572400494 /nfs/dbraw/zinc/40/04/94/572400494.db2.gz JZGFQQAQJOBOPD-UHFFFAOYSA-N 1 3 158.289 1.490 10 0 ADAEHO CCC[C@H](C)NCC(C)(C)[NH2+]C 308013573 572400740 /nfs/dbraw/zinc/40/07/40/572400740.db2.gz GPWOTVMRDTYMRJ-VIFPVBQESA-N 1 3 172.316 1.763 10 0 ADAEHO C[N@H+](CCCN)[C@H]1CCC1(C)C 308013710 572401326 /nfs/dbraw/zinc/40/13/26/572401326.db2.gz GTNDKNMAOFLEFH-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[N@@H+](CCCN)[C@H]1CCC1(C)C 308013710 572401328 /nfs/dbraw/zinc/40/13/28/572401328.db2.gz GTNDKNMAOFLEFH-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CN(CCC[NH3+])[C@H]1CCC1(C)C 308013710 572401329 /nfs/dbraw/zinc/40/13/29/572401329.db2.gz GTNDKNMAOFLEFH-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO [NH3+]CC1(NC[C@H]2CCCO2)CCCC1 83774395 572401391 /nfs/dbraw/zinc/40/13/91/572401391.db2.gz ZCDZVRSPGUANAZ-SNVBAGLBSA-N 1 3 198.310 1.027 10 0 ADAEHO C[N@H+](CCCN)[C@@H]1CCC1(C)C 308013705 572402940 /nfs/dbraw/zinc/40/29/40/572402940.db2.gz GTNDKNMAOFLEFH-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](C)NCC(C)(C)[NH2+]C 308012965 572402425 /nfs/dbraw/zinc/40/24/25/572402425.db2.gz GPWOTVMRDTYMRJ-SECBINFHSA-N 1 3 172.316 1.763 10 0 ADAEHO C[N@@H+](CCCN)[C@@H]1CCC1(C)C 308013705 572402945 /nfs/dbraw/zinc/40/29/45/572402945.db2.gz GTNDKNMAOFLEFH-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(CCC[NH3+])[C@@H]1CCC1(C)C 308013705 572402949 /nfs/dbraw/zinc/40/29/49/572402949.db2.gz GTNDKNMAOFLEFH-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCN(C)Cc1ccc(C[NH3+])cn1 87223103 572403275 /nfs/dbraw/zinc/40/32/75/572403275.db2.gz MCXJRQWZDKWHOJ-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CCNCCC[NH2+][C@H]1CC[C@@H]1C 308015825 572403608 /nfs/dbraw/zinc/40/36/08/572403608.db2.gz HICUMKVGCFCQIR-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[NH2+]CCCN[C@H]1CC[C@@H]1C 308015825 572403614 /nfs/dbraw/zinc/40/36/14/572403614.db2.gz HICUMKVGCFCQIR-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H]1C1CCCCC1 76607625 572406501 /nfs/dbraw/zinc/40/65/01/572406501.db2.gz QAHHBJRKRFENLS-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1C(C)(C)CC[C@@]12CCC[NH2+]C2 76607649 572403667 /nfs/dbraw/zinc/40/36/67/572403667.db2.gz HSHLHCKYLORJCT-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@@H+]1C(C)(C)CC[C@@]12CCCNC2 76607649 572403672 /nfs/dbraw/zinc/40/36/72/572403672.db2.gz HSHLHCKYLORJCT-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@H+]1C(C)(C)CC[C@@]12CCCNC2 76607649 572403676 /nfs/dbraw/zinc/40/36/76/572403676.db2.gz HSHLHCKYLORJCT-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[NH2+]C[C@H]1CCCCC[C@H]1N 87222501 572403803 /nfs/dbraw/zinc/40/38/03/572403803.db2.gz HCGPPXHSIKGNGE-GHMZBOCLSA-N 1 3 184.327 1.894 10 0 ADAEHO CSC1(CN(C)CCC[NH3+])CC1 308015688 572403965 /nfs/dbraw/zinc/40/39/65/572403965.db2.gz RISWMNJRSHLGNH-UHFFFAOYSA-N 1 3 188.340 1.163 10 0 ADAEHO C[N@@H+]1[C@@H]2CNCC[C@H]2CCC1(C)C 76607676 572404002 /nfs/dbraw/zinc/40/40/02/572404002.db2.gz PIWDPSMAWSPMAJ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1[C@@H]2CNCC[C@H]2CCC1(C)C 76607676 572404005 /nfs/dbraw/zinc/40/40/05/572404005.db2.gz PIWDPSMAWSPMAJ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H]1C1CCCCC1 76607627 572404076 /nfs/dbraw/zinc/40/40/76/572404076.db2.gz QAHHBJRKRFENLS-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]2C1 76607551 572404112 /nfs/dbraw/zinc/40/41/12/572404112.db2.gz TXSCTTLDPMYQAA-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CCN(C)Cc1ccc(C[NH2+]C)cn1 87223116 572404121 /nfs/dbraw/zinc/40/41/21/572404121.db2.gz YUSOLHLXSAKYMR-UHFFFAOYSA-N 1 3 193.294 1.253 10 0 ADAEHO CN1CC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76607561 572404356 /nfs/dbraw/zinc/40/43/56/572404356.db2.gz TXSCTTLDPMYQAA-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCCCC[C@H]1N 87222499 572404501 /nfs/dbraw/zinc/40/45/01/572404501.db2.gz HCGPPXHSIKGNGE-WDEREUQCSA-N 1 3 184.327 1.894 10 0 ADAEHO CCNCCC[NH2+][C@@H]1CC[C@@H]1C 308015826 572404748 /nfs/dbraw/zinc/40/47/48/572404748.db2.gz HICUMKVGCFCQIR-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO CN1CC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 76607553 572404592 /nfs/dbraw/zinc/40/45/92/572404592.db2.gz TXSCTTLDPMYQAA-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[NH2+]CCCN[C@@H]1CC[C@@H]1C 308015826 572404754 /nfs/dbraw/zinc/40/47/54/572404754.db2.gz HICUMKVGCFCQIR-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H]1CCN(C)[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 76607611 572404866 /nfs/dbraw/zinc/40/48/66/572404866.db2.gz DUJWJJPEQAKTFU-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO CCNCCC[NH2+][C@@H]1CC[C@H]1C 308015824 572404972 /nfs/dbraw/zinc/40/49/72/572404972.db2.gz HICUMKVGCFCQIR-NXEZZACHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[NH2+]CCCN[C@@H]1CC[C@H]1C 308015824 572404974 /nfs/dbraw/zinc/40/49/74/572404974.db2.gz HICUMKVGCFCQIR-NXEZZACHSA-N 1 3 170.300 1.374 10 0 ADAEHO CCNCCC[NH2+][C@H]1CC[C@H]1C 308015827 572405065 /nfs/dbraw/zinc/40/50/65/572405065.db2.gz HICUMKVGCFCQIR-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[NH2+]CCCN[C@H]1CC[C@H]1C 308015827 572405069 /nfs/dbraw/zinc/40/50/69/572405069.db2.gz HICUMKVGCFCQIR-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO CCN(CC)Cc1ccc(C[NH3+])cn1 87222980 572405285 /nfs/dbraw/zinc/40/52/85/572405285.db2.gz CBSMWTIPAKVNAR-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO C[N@@H+]1[C@H]2CNCC[C@@H]2CCC1(C)C 76607674 572405432 /nfs/dbraw/zinc/40/54/32/572405432.db2.gz PIWDPSMAWSPMAJ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1[C@H]2CNCC[C@@H]2CCC1(C)C 76607674 572405435 /nfs/dbraw/zinc/40/54/35/572405435.db2.gz PIWDPSMAWSPMAJ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[NH2+]C[C@H]1CCCCC[C@@H]1N 87222497 572405466 /nfs/dbraw/zinc/40/54/66/572405466.db2.gz HCGPPXHSIKGNGE-MNOVXSKESA-N 1 3 184.327 1.894 10 0 ADAEHO CN1C(C)(C)CC[C@]12CCC[NH2+]C2 76607645 572405803 /nfs/dbraw/zinc/40/58/03/572405803.db2.gz HSHLHCKYLORJCT-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@@H+]1C(C)(C)CC[C@]12CCCNC2 76607645 572405808 /nfs/dbraw/zinc/40/58/08/572405808.db2.gz HSHLHCKYLORJCT-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@H+]1C(C)(C)CC[C@]12CCCNC2 76607645 572405812 /nfs/dbraw/zinc/40/58/12/572405812.db2.gz HSHLHCKYLORJCT-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@@H+]1[C@H]2CNCC[C@H]2CCC1(C)C 76607672 572405926 /nfs/dbraw/zinc/40/59/26/572405926.db2.gz PIWDPSMAWSPMAJ-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1[C@H]2CNCC[C@H]2CCC1(C)C 76607672 572405931 /nfs/dbraw/zinc/40/59/31/572405931.db2.gz PIWDPSMAWSPMAJ-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CN1CC[C@H]2CC(C)(C)[NH2+][C@H]2CC1 76607482 572406163 /nfs/dbraw/zinc/40/61/63/572406163.db2.gz XTSLLYQXOJNSMQ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222496 572406227 /nfs/dbraw/zinc/40/62/27/572406227.db2.gz HCGPPXHSIKGNGE-QWRGUYRKSA-N 1 3 184.327 1.894 10 0 ADAEHO C[N@@H+]1[C@@H]2CNCC[C@@H]2CCC1(C)C 76607679 572406256 /nfs/dbraw/zinc/40/62/56/572406256.db2.gz PIWDPSMAWSPMAJ-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1[C@@H]2CNCC[C@@H]2CCC1(C)C 76607679 572406259 /nfs/dbraw/zinc/40/62/59/572406259.db2.gz PIWDPSMAWSPMAJ-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CN1CC[C@@H]2[NH2+]C(C)(C)C[C@H]2CC1 76607484 572406381 /nfs/dbraw/zinc/40/63/81/572406381.db2.gz XTSLLYQXOJNSMQ-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO N[C@H](C[NH3+])C1C2CC3CC(C2)CC1C3 117096568 572406405 /nfs/dbraw/zinc/40/64/05/572406405.db2.gz HUGHDMGDOFCFRD-AZOGYHBKSA-N 1 3 194.322 1.345 10 0 ADAEHO N[C@@H]1CCCCC[C@H]1C[NH2+]CC1CC1 87222573 572406665 /nfs/dbraw/zinc/40/66/65/572406665.db2.gz QWLFYBLOGUHNCD-NWDGAFQWSA-N 1 3 196.338 1.894 10 0 ADAEHO CN1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76607556 572406682 /nfs/dbraw/zinc/40/66/82/572406682.db2.gz TXSCTTLDPMYQAA-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO N[C@@H]1CCCCC[C@@H]1C[NH2+]CC1CC1 87222571 572407174 /nfs/dbraw/zinc/40/71/74/572407174.db2.gz QWLFYBLOGUHNCD-VXGBXAGGSA-N 1 3 196.338 1.894 10 0 ADAEHO CN1CCC[C@@H]2[NH2+]C(C)(C)C[C@H]2C1 76607479 572407198 /nfs/dbraw/zinc/40/71/98/572407198.db2.gz UKQPXTVZVWEMDK-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)N(C)Cc1ccc(C[NH3+])cn1 87223032 572407231 /nfs/dbraw/zinc/40/72/31/572407231.db2.gz XCAMIBRPXRKMMP-UHFFFAOYSA-N 1 3 193.294 1.381 10 0 ADAEHO N[C@H]1CCCCC[C@@H]1C[NH2+]CC1CC1 87222576 572407252 /nfs/dbraw/zinc/40/72/52/572407252.db2.gz QWLFYBLOGUHNCD-NEPJUHHUSA-N 1 3 196.338 1.894 10 0 ADAEHO N[C@@H](C[NH3+])C1C2CC3CC(C2)CC1C3 117096570 572407406 /nfs/dbraw/zinc/40/74/06/572407406.db2.gz HUGHDMGDOFCFRD-FMBFNZMWSA-N 1 3 194.322 1.345 10 0 ADAEHO CCC[NH2+][C@H](CC)[C@@H](C)CN 238795143 572408515 /nfs/dbraw/zinc/40/85/15/572408515.db2.gz FPYBMXSJHFJJCU-DTWKUNHWSA-N 1 3 158.289 1.359 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+]1CCC(C)(C)C1 87255212 572408777 /nfs/dbraw/zinc/40/87/77/572408777.db2.gz CCQOQZOCUCAPJR-NSHDSACASA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+]1CCC(C)(C)C1 87255212 572408780 /nfs/dbraw/zinc/40/87/80/572408780.db2.gz CCQOQZOCUCAPJR-NSHDSACASA-N 1 3 198.354 1.949 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC(C)(C)C1 87255177 572411096 /nfs/dbraw/zinc/41/10/96/572411096.db2.gz BYNPMGLWIDVYKV-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN1CCC(C)(C)C1 87255196 572408946 /nfs/dbraw/zinc/40/89/46/572408946.db2.gz OAXQQPUTDRXNAP-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCC(C)(C)C1 87255178 572409396 /nfs/dbraw/zinc/40/93/96/572409396.db2.gz BYNPMGLWIDVYKV-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1CCC(C)(C)C1 87255178 572409400 /nfs/dbraw/zinc/40/94/00/572409400.db2.gz BYNPMGLWIDVYKV-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1CCC(C)(C)C1 87255178 572409403 /nfs/dbraw/zinc/40/94/03/572409403.db2.gz BYNPMGLWIDVYKV-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCC(C)(C)C1 87252167 572409511 /nfs/dbraw/zinc/40/95/11/572409511.db2.gz RNNOTTAKMCIUJH-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](C)CC[N@@H+]1CCC(C)(C)C1 87252167 572409516 /nfs/dbraw/zinc/40/95/16/572409516.db2.gz RNNOTTAKMCIUJH-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](C)CC[N@H+]1CCC(C)(C)C1 87252167 572409520 /nfs/dbraw/zinc/40/95/20/572409520.db2.gz RNNOTTAKMCIUJH-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC(C)(C)CN1CCC(C)(C)C1 87258695 572409947 /nfs/dbraw/zinc/40/99/47/572409947.db2.gz ZMBVFOYBQRKXRH-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC(C)(C)C[N@@H+]1CCC(C)(C)C1 87258695 572409954 /nfs/dbraw/zinc/40/99/54/572409954.db2.gz ZMBVFOYBQRKXRH-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC(C)(C)C[N@H+]1CCC(C)(C)C1 87258695 572409959 /nfs/dbraw/zinc/40/99/59/572409959.db2.gz ZMBVFOYBQRKXRH-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[NH2+][C@H](CC)C[C@H](C)N 238795136 572410595 /nfs/dbraw/zinc/41/05/95/572410595.db2.gz ZWRZWKLZPVGPNG-DTWKUNHWSA-N 1 3 158.289 1.502 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCC(C)(C)C1 87255026 572410681 /nfs/dbraw/zinc/41/06/81/572410681.db2.gz PTPKZFVYDDGPDM-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCC(C)(C)C1 87255026 572410686 /nfs/dbraw/zinc/41/06/86/572410686.db2.gz PTPKZFVYDDGPDM-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[NH2+]CCCN1CCC(C)(C)C1 87252199 572410736 /nfs/dbraw/zinc/41/07/36/572410736.db2.gz KFLVLQOTGJAIEY-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[NH2+][C@H](CC)C[C@@H](C)N 238795134 572410867 /nfs/dbraw/zinc/41/08/67/572410867.db2.gz ZWRZWKLZPVGPNG-RKDXNWHRSA-N 1 3 158.289 1.502 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCC(C)(C)C1 87255177 572411091 /nfs/dbraw/zinc/41/10/91/572411091.db2.gz BYNPMGLWIDVYKV-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC(C)(C)C1 87255177 572411094 /nfs/dbraw/zinc/41/10/94/572411094.db2.gz BYNPMGLWIDVYKV-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCC(C)(C)C1 87252169 572411172 /nfs/dbraw/zinc/41/11/72/572411172.db2.gz RNNOTTAKMCIUJH-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCC(C)(C)C1 87252169 572411174 /nfs/dbraw/zinc/41/11/74/572411174.db2.gz RNNOTTAKMCIUJH-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCC(C)(C)C1 87252169 572411179 /nfs/dbraw/zinc/41/11/79/572411179.db2.gz RNNOTTAKMCIUJH-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[NH2+][C@H](CC)[C@H](C)CN 238795154 572411317 /nfs/dbraw/zinc/41/13/17/572411317.db2.gz FPYBMXSJHFJJCU-RKDXNWHRSA-N 1 3 158.289 1.359 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H]1C1CCCCC1 250234416 572411378 /nfs/dbraw/zinc/41/13/78/572411378.db2.gz GNTSJTQEUMBWHO-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCN(CCC[NH2+]C2CC2)C1 87252061 572411477 /nfs/dbraw/zinc/41/14/77/572411477.db2.gz KYSKBRFBJDZKDF-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[N@H+](CCCNC2CC2)C1 87252061 572411481 /nfs/dbraw/zinc/41/14/81/572411481.db2.gz KYSKBRFBJDZKDF-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[N@@H+](CCCNC2CC2)C1 87252061 572411486 /nfs/dbraw/zinc/41/14/86/572411486.db2.gz KYSKBRFBJDZKDF-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CCC(C)(C)C1 87255028 572411535 /nfs/dbraw/zinc/41/15/35/572411535.db2.gz PTPKZFVYDDGPDM-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CCC(C)(C)C1 87255028 572411538 /nfs/dbraw/zinc/41/15/38/572411538.db2.gz PTPKZFVYDDGPDM-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1CCC(C)(C)C1 87255213 572411848 /nfs/dbraw/zinc/41/18/48/572411848.db2.gz CCQOQZOCUCAPJR-LLVKDONJSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1CCC(C)(C)C1 87255213 572411852 /nfs/dbraw/zinc/41/18/52/572411852.db2.gz CCQOQZOCUCAPJR-LLVKDONJSA-N 1 3 198.354 1.949 10 0 ADAEHO CC[NH2+]C[C@H](C)CN1CCC(C)(C)C1 87255198 572411908 /nfs/dbraw/zinc/41/19/08/572411908.db2.gz OAXQQPUTDRXNAP-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCN1CC[C@@H]([NH3+])[C@H]1C1CCCCC1 250234422 572412052 /nfs/dbraw/zinc/41/20/52/572412052.db2.gz GNTSJTQEUMBWHO-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CCC(C)(C)C1 87258916 572412675 /nfs/dbraw/zinc/41/26/75/572412675.db2.gz LZZLMJUECMMSFT-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CCC(C)(C)C1 87258916 572412678 /nfs/dbraw/zinc/41/26/78/572412678.db2.gz LZZLMJUECMMSFT-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC[C@H](C)N1CCC(C)(C)C1 87258916 572412680 /nfs/dbraw/zinc/41/26/80/572412680.db2.gz LZZLMJUECMMSFT-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258901 572412816 /nfs/dbraw/zinc/41/28/16/572412816.db2.gz JYWCJBYVLXCCGL-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87258901 572412820 /nfs/dbraw/zinc/41/28/20/572412820.db2.gz JYWCJBYVLXCCGL-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[C@@H]([NH3+])[C@@H]1CCCCN1 238793036 572412934 /nfs/dbraw/zinc/41/29/34/572412934.db2.gz OIYQFUPHIXCBDK-ZJUUUORDSA-N 1 3 170.300 1.646 10 0 ADAEHO CNCC[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258918 572412919 /nfs/dbraw/zinc/41/29/19/572412919.db2.gz LZZLMJUECMMSFT-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC[C@@H](C)[N@H+]1CCC(C)(C)C1 87258918 572412924 /nfs/dbraw/zinc/41/29/24/572412924.db2.gz LZZLMJUECMMSFT-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC[C@@H](C)N1CCC(C)(C)C1 87258918 572412930 /nfs/dbraw/zinc/41/29/30/572412930.db2.gz LZZLMJUECMMSFT-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87258905 572413010 /nfs/dbraw/zinc/41/30/10/572413010.db2.gz JYWCJBYVLXCCGL-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87258905 572413013 /nfs/dbraw/zinc/41/30/13/572413013.db2.gz JYWCJBYVLXCCGL-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258898 572413409 /nfs/dbraw/zinc/41/34/09/572413409.db2.gz JYWCJBYVLXCCGL-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87258898 572413419 /nfs/dbraw/zinc/41/34/19/572413419.db2.gz JYWCJBYVLXCCGL-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[C@@H]([NH3+])[C@H]1CCCCN1 238793066 572413457 /nfs/dbraw/zinc/41/34/57/572413457.db2.gz OIYQFUPHIXCBDK-NXEZZACHSA-N 1 3 170.300 1.646 10 0 ADAEHO CCN(CC)C/C=C1/CNC(=[NH2+])S1 238235400 572413568 /nfs/dbraw/zinc/41/35/68/572413568.db2.gz GWSCEKRIGWDYCH-YVMONPNESA-N 1 3 199.323 1.274 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87258903 572413785 /nfs/dbraw/zinc/41/37/85/572413785.db2.gz JYWCJBYVLXCCGL-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87258903 572413786 /nfs/dbraw/zinc/41/37/86/572413786.db2.gz JYWCJBYVLXCCGL-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCc1ccsc1CNCCC[NH3+] 87310173 572414827 /nfs/dbraw/zinc/41/48/27/572414827.db2.gz QCGDHOSJOMKWMB-UHFFFAOYSA-N 1 3 198.335 1.749 10 0 ADAEHO Cc1cscc1CNC[C@@H](C)C[NH3+] 87310234 572414929 /nfs/dbraw/zinc/41/49/29/572414929.db2.gz OROWNNGWFDXWKD-QMMMGPOBSA-N 1 3 198.335 1.741 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](N)C1 222728058 572415384 /nfs/dbraw/zinc/41/53/84/572415384.db2.gz IAXXPXOKDWGQNG-AXFHLTTASA-N 1 3 184.327 1.890 10 0 ADAEHO CCc1nc(C[C@H](C)[NH3+])c(C)[nH]1 44411630 572416422 /nfs/dbraw/zinc/41/64/22/572416422.db2.gz GGNZFJZVJUBKNH-LURJTMIESA-N 1 3 167.256 1.170 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](N)C1 222727927 572416589 /nfs/dbraw/zinc/41/65/89/572416589.db2.gz IAXXPXOKDWGQNG-HBNTYKKESA-N 1 3 184.327 1.890 10 0 ADAEHO CCc1nc(C[C@@H](C)[NH3+])c(C)[nH]1 44411627 572416900 /nfs/dbraw/zinc/41/69/00/572416900.db2.gz GGNZFJZVJUBKNH-ZCFIWIBFSA-N 1 3 167.256 1.170 10 0 ADAEHO Cc1cscc1CNC[C@H](C)C[NH3+] 87310235 572418217 /nfs/dbraw/zinc/41/82/17/572418217.db2.gz OROWNNGWFDXWKD-MRVPVSSYSA-N 1 3 198.335 1.741 10 0 ADAEHO C1CC(N2CC[C@@H](C[NH2+]C3CC3)C2)C1 53035196 572418420 /nfs/dbraw/zinc/41/84/20/572418420.db2.gz UXLQAUSWRBZLGP-JTQLQIEISA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC([N@@H+]2CC[C@@H](CNC3CC3)C2)C1 53035196 572418426 /nfs/dbraw/zinc/41/84/26/572418426.db2.gz UXLQAUSWRBZLGP-JTQLQIEISA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC([N@H+]2CC[C@@H](CNC3CC3)C2)C1 53035196 572418430 /nfs/dbraw/zinc/41/84/30/572418430.db2.gz UXLQAUSWRBZLGP-JTQLQIEISA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@]1(N)C[N@H+](C)CCC(C)(C)C1 76629737 572420846 /nfs/dbraw/zinc/42/08/46/572420846.db2.gz DHXJTKAXBASCIP-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@]1(N)C[N@@H+](C)CCC(C)(C)C1 76629737 572420850 /nfs/dbraw/zinc/42/08/50/572420850.db2.gz DHXJTKAXBASCIP-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH+](CC)CCc1csc(N)n1 238235438 572421413 /nfs/dbraw/zinc/42/14/13/572421413.db2.gz AOFGIJXFNWAYMT-YVMONPNESA-N 1 3 199.323 1.274 10 0 ADAEHO C[C@H]1CC([C@H](N)C[NH3+])C[C@H](C)C1 44471976 572423337 /nfs/dbraw/zinc/42/33/37/572423337.db2.gz RFBNVKJACHKSLU-NQMVMOMDSA-N 1 3 170.300 1.345 10 0 ADAEHO CC[NH2+]C1=CCCC[C@H]1CN(C)C 196630309 572423916 /nfs/dbraw/zinc/42/39/16/572423916.db2.gz ZOEAPAPILQTESX-JTQLQIEISA-N 1 3 182.311 1.842 10 0 ADAEHO CC[NH2+]C1=CCCC[C@@H]1CN(C)C 196630301 572425469 /nfs/dbraw/zinc/42/54/69/572425469.db2.gz ZOEAPAPILQTESX-SNVBAGLBSA-N 1 3 182.311 1.842 10 0 ADAEHO C[NH2+]C1=CCCC[C@@H]1CN(C)C 196630262 572425517 /nfs/dbraw/zinc/42/55/17/572425517.db2.gz FPUZNFSXHIXHMD-SECBINFHSA-N 1 3 168.284 1.451 10 0 ADAEHO CC[NH2+][C@H](C)C[C@H]1CCCCN1 83823759 572425654 /nfs/dbraw/zinc/42/56/54/572425654.db2.gz XCBLADVCVLBCQH-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO CCN[C@H](C)C[C@H]1CCCC[NH2+]1 83823759 572425657 /nfs/dbraw/zinc/42/56/57/572425657.db2.gz XCBLADVCVLBCQH-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO NCCC[NH2+]CCC1CCCCC1 83823587 572425686 /nfs/dbraw/zinc/42/56/86/572425686.db2.gz FJVWWMBBPFVPLQ-UHFFFAOYSA-N 1 3 184.327 1.895 10 0 ADAEHO CC1(C)CCC[C@@H](C[C@H](N)C[NH3+])C1 44477152 572425859 /nfs/dbraw/zinc/42/58/59/572425859.db2.gz UVLGGYDUYKOKQO-UWVGGRQHSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@@H]1CCCCN1 83823755 572426003 /nfs/dbraw/zinc/42/60/03/572426003.db2.gz XCBLADVCVLBCQH-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO CCN[C@@H](C)C[C@@H]1CCCC[NH2+]1 83823755 572426006 /nfs/dbraw/zinc/42/60/06/572426006.db2.gz XCBLADVCVLBCQH-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC1(C)CCC[C@@H](C[C@@H](N)C[NH3+])C1 44477158 572426119 /nfs/dbraw/zinc/42/61/19/572426119.db2.gz UVLGGYDUYKOKQO-VHSXEESVSA-N 1 3 184.327 1.879 10 0 ADAEHO CC1(C)CCC[C@H](C[C@@H](N)C[NH3+])C1 44477155 572426129 /nfs/dbraw/zinc/42/61/29/572426129.db2.gz UVLGGYDUYKOKQO-NXEZZACHSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[NH2+][C@@H](C)C[C@H]1CCCCN1 83823758 572426355 /nfs/dbraw/zinc/42/63/55/572426355.db2.gz XCBLADVCVLBCQH-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CCN[C@@H](C)C[C@H]1CCCC[NH2+]1 83823758 572426358 /nfs/dbraw/zinc/42/63/58/572426358.db2.gz XCBLADVCVLBCQH-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO C[NH2+]C1=CCCC[C@H]1CN(C)C 196630271 572426599 /nfs/dbraw/zinc/42/65/99/572426599.db2.gz FPUZNFSXHIXHMD-VIFPVBQESA-N 1 3 168.284 1.451 10 0 ADAEHO CC1(C)CCC[C@H](C[C@H](N)C[NH3+])C1 44477149 572426609 /nfs/dbraw/zinc/42/66/09/572426609.db2.gz UVLGGYDUYKOKQO-ZJUUUORDSA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)[NH2+][C@@H](C)C[C@@H]1CCCCN1 83823833 572426949 /nfs/dbraw/zinc/42/69/49/572426949.db2.gz JQDCERAGPJLVQT-QWRGUYRKSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[NH2+][C@H](C)C[C@@H]1CCCCN1 83823757 572427905 /nfs/dbraw/zinc/42/79/05/572427905.db2.gz XCBLADVCVLBCQH-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CCN[C@H](C)C[C@@H]1CCCC[NH2+]1 83823757 572427908 /nfs/dbraw/zinc/42/79/08/572427908.db2.gz XCBLADVCVLBCQH-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)[NH2+][C@H](C)C[C@H]1CCCCN1 83823836 572428492 /nfs/dbraw/zinc/42/84/92/572428492.db2.gz JQDCERAGPJLVQT-GHMZBOCLSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@@H]([NH3+])CCN(CC)CC 83824580 572428784 /nfs/dbraw/zinc/42/87/84/572428784.db2.gz UNNVMBDXTVPEJH-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC1(CC)CN(CCC[NH3+])C1 83825003 572429021 /nfs/dbraw/zinc/42/90/21/572429021.db2.gz FYUNGTAXPQQSIH-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO CCC1(CC)CN([C@H](C)CC[NH3+])C1 83825005 572429101 /nfs/dbraw/zinc/42/91/01/572429101.db2.gz LNCLVHYXJPJLJZ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO NCCC[NH2+]CC1CCCCCC1 83824077 572431029 /nfs/dbraw/zinc/43/10/29/572431029.db2.gz PJHRCNABVXYCBF-UHFFFAOYSA-N 1 3 184.327 1.895 10 0 ADAEHO CCC1(CC)CN([C@@H](C)CC[NH3+])C1 83825004 572429923 /nfs/dbraw/zinc/42/99/23/572429923.db2.gz LNCLVHYXJPJLJZ-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[NH2+][C@H](C)C[C@@H]1CCCCN1 83823838 572430205 /nfs/dbraw/zinc/43/02/05/572430205.db2.gz ULHPMFCZDBUOJC-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO CC[C@H]([NH3+])CCN(CC)CC 83824578 572430441 /nfs/dbraw/zinc/43/04/41/572430441.db2.gz UNNVMBDXTVPEJH-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@@H](C)C2(C)CC2)C1 87364874 572430623 /nfs/dbraw/zinc/43/06/23/572430623.db2.gz HJEHDHQKLDZJII-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 87364874 572430626 /nfs/dbraw/zinc/43/06/26/572430626.db2.gz HJEHDHQKLDZJII-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CCN([C@@H](C)C2(C)CC2)C1 87364874 572430631 /nfs/dbraw/zinc/43/06/31/572430631.db2.gz HJEHDHQKLDZJII-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCC[C@H]([NH3+])CNCCCF 308021987 572431016 /nfs/dbraw/zinc/43/10/16/572431016.db2.gz UXLNWKYFUPCRLB-VIFPVBQESA-N 1 3 176.279 1.453 10 0 ADAEHO CC1([C@@](C)(C[NH3+])NC2CC2)CC1 87363834 572431400 /nfs/dbraw/zinc/43/14/00/572431400.db2.gz FKSRMJANUACKBO-SNVBAGLBSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)[NH2+][C@@H](C)C[C@H]1CCCCN1 83823835 572431505 /nfs/dbraw/zinc/43/15/05/572431505.db2.gz JQDCERAGPJLVQT-WDEREUQCSA-N 1 3 184.327 1.905 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@H](C)C2(C)CC2)C1 87364877 572431747 /nfs/dbraw/zinc/43/17/47/572431747.db2.gz HJEHDHQKLDZJII-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 87364877 572431749 /nfs/dbraw/zinc/43/17/49/572431749.db2.gz HJEHDHQKLDZJII-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CCN([C@H](C)C2(C)CC2)C1 87364877 572431752 /nfs/dbraw/zinc/43/17/52/572431752.db2.gz HJEHDHQKLDZJII-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]CCCF 308025189 572431757 /nfs/dbraw/zinc/43/17/57/572431757.db2.gz WSPODCKLTPOICK-SECBINFHSA-N 1 3 176.279 1.167 10 0 ADAEHO CCC[NH2+][C@H](C)C[C@H]1CCCCN1 83823840 572432070 /nfs/dbraw/zinc/43/20/70/572432070.db2.gz ULHPMFCZDBUOJC-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)[NH2+][C@H](C)C[C@@H]1CCCCN1 83823834 572432344 /nfs/dbraw/zinc/43/23/44/572432344.db2.gz JQDCERAGPJLVQT-MNOVXSKESA-N 1 3 184.327 1.905 10 0 ADAEHO CCC[NH2+][C@@H](C)C[C@H]1CCCCN1 83823839 572432399 /nfs/dbraw/zinc/43/23/99/572432399.db2.gz ULHPMFCZDBUOJC-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO [NH3+][C@H](CCNCCCF)C1CC1 308021386 572432405 /nfs/dbraw/zinc/43/24/05/572432405.db2.gz UVFUFVRZAWQKKY-SECBINFHSA-N 1 3 174.263 1.063 10 0 ADAEHO CCC[NH2+][C@@H](C)C[C@@H]1CCCCN1 83823837 572432505 /nfs/dbraw/zinc/43/25/05/572432505.db2.gz ULHPMFCZDBUOJC-QWRGUYRKSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]CCCF 308025190 572432784 /nfs/dbraw/zinc/43/27/84/572432784.db2.gz WSPODCKLTPOICK-VIFPVBQESA-N 1 3 176.279 1.167 10 0 ADAEHO CC(C)CC[C@](N)(C[NH3+])C1CC1 308021998 572433127 /nfs/dbraw/zinc/43/31/27/572433127.db2.gz UYVPWXOCVDUDKL-JTQLQIEISA-N 1 3 170.300 1.489 10 0 ADAEHO CC1([C@](C)(C[NH3+])NC2CC2)CC1 87363837 572433233 /nfs/dbraw/zinc/43/32/33/572433233.db2.gz FKSRMJANUACKBO-JTQLQIEISA-N 1 3 168.284 1.256 10 0 ADAEHO NC(=[NH2+])CCN(CC1CCC1)C1CC1 83839244 572433324 /nfs/dbraw/zinc/43/33/24/572433324.db2.gz URIZZBRKBKKHAU-UHFFFAOYSA-N 1 3 195.310 1.577 10 0 ADAEHO CCN(CCC(N)=[NH2+])CC1CCC1 83839241 572433342 /nfs/dbraw/zinc/43/33/42/572433342.db2.gz XRWXNPNUALLONA-UHFFFAOYSA-N 1 3 183.299 1.434 10 0 ADAEHO CCC[N@H+](CCCN)CC1CCC1 83838088 572433413 /nfs/dbraw/zinc/43/34/13/572433413.db2.gz XQIZWTGTMZGUIQ-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO CCC[N@@H+](CCCN)CC1CCC1 83838088 572433422 /nfs/dbraw/zinc/43/34/22/572433422.db2.gz XQIZWTGTMZGUIQ-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO [NH3+][C@@H](CCNCCCF)C1CC1 308021388 572433592 /nfs/dbraw/zinc/43/35/92/572433592.db2.gz UVFUFVRZAWQKKY-VIFPVBQESA-N 1 3 174.263 1.063 10 0 ADAEHO CC(C)CC[C@@](N)(C[NH3+])C1CC1 308021999 572433748 /nfs/dbraw/zinc/43/37/48/572433748.db2.gz UYVPWXOCVDUDKL-SNVBAGLBSA-N 1 3 170.300 1.489 10 0 ADAEHO c1cc(NC[C@H]2CCC[NH2+]C2)ccn1 44503011 572433830 /nfs/dbraw/zinc/43/38/30/572433830.db2.gz NXJXTTSPLUBJLF-JTQLQIEISA-N 1 3 191.278 1.493 10 0 ADAEHO CCN(CC1CCC1)C[C@@H](C)C(N)=[NH2+] 83839239 572434122 /nfs/dbraw/zinc/43/41/22/572434122.db2.gz PUIRVUCWYVQCID-SECBINFHSA-N 1 3 197.326 1.680 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CC2CCC2)C1 83838408 572434171 /nfs/dbraw/zinc/43/41/71/572434171.db2.gz YUMWTCDWFXTOOL-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H](N)CC[NH2+]CCC1CC1 83895403 572434598 /nfs/dbraw/zinc/43/45/98/572434598.db2.gz VMEQCHFIWKGWHD-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CC2CCC2)C1 83838406 572434698 /nfs/dbraw/zinc/43/46/98/572434698.db2.gz YUMWTCDWFXTOOL-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CCNC[C@@H]1CCC[N@@H+]1CC1CCC1 83839361 572434718 /nfs/dbraw/zinc/43/47/18/572434718.db2.gz AIQGEZYLKWNYJY-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CCNC[C@@H]1CCC[N@H+]1CC1CCC1 83839361 572434720 /nfs/dbraw/zinc/43/47/20/572434720.db2.gz AIQGEZYLKWNYJY-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)c1[nH]c2c(c1CC[NH3+])CNC2 214747418 572434738 /nfs/dbraw/zinc/43/47/38/572434738.db2.gz JOZSYCVBBZHLTC-UHFFFAOYSA-N 1 3 193.294 1.243 10 0 ADAEHO CC[C@H](CC[NH3+])CNc1nccn1C 87374414 572434946 /nfs/dbraw/zinc/43/49/46/572434946.db2.gz VGCQTUZQZJSWJZ-SECBINFHSA-N 1 3 196.298 1.207 10 0 ADAEHO CC[N@@H+](CC1CCC1)C[C@H](C)CN 83838125 572435204 /nfs/dbraw/zinc/43/52/04/572435204.db2.gz FDVODVORPLXAJN-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[N@H+](CC1CCC1)C[C@H](C)CN 83838125 572435207 /nfs/dbraw/zinc/43/52/07/572435207.db2.gz FDVODVORPLXAJN-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO c1cc(NC[C@@H]2CCC[NH2+]C2)ccn1 44503009 572435328 /nfs/dbraw/zinc/43/53/28/572435328.db2.gz NXJXTTSPLUBJLF-SNVBAGLBSA-N 1 3 191.278 1.493 10 0 ADAEHO CC[C@@H](CC[NH3+])CNc1nccn1C 87374410 572435579 /nfs/dbraw/zinc/43/55/79/572435579.db2.gz VGCQTUZQZJSWJZ-VIFPVBQESA-N 1 3 196.298 1.207 10 0 ADAEHO CC(C)(C)c1[nH]c2c(c1C[NH3+])CNC2 214747350 572435631 /nfs/dbraw/zinc/43/56/31/572435631.db2.gz BYXOZEKUWJGKIU-UHFFFAOYSA-N 1 3 193.294 1.374 10 0 ADAEHO CC[NH2+]C(C)(C)CNCCC1CC1 83895408 572436754 /nfs/dbraw/zinc/43/67/54/572436754.db2.gz ZJUVNMPUBIGOSB-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H](CC[NH3+])CNc1ccncc1 87374565 572435860 /nfs/dbraw/zinc/43/58/60/572435860.db2.gz ORKJGNJTQXJBEB-JTQLQIEISA-N 1 3 193.294 1.869 10 0 ADAEHO CCNC[C@H]1CCC[N@@H+]1CC1CCC1 83839362 572436215 /nfs/dbraw/zinc/43/62/15/572436215.db2.gz AIQGEZYLKWNYJY-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCNC[C@H]1CCC[N@H+]1CC1CCC1 83839362 572436223 /nfs/dbraw/zinc/43/62/23/572436223.db2.gz AIQGEZYLKWNYJY-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](CC[NH3+])CNc1ccncc1 87374567 572436332 /nfs/dbraw/zinc/43/63/32/572436332.db2.gz ORKJGNJTQXJBEB-SNVBAGLBSA-N 1 3 193.294 1.869 10 0 ADAEHO CC(C)N(CCC(N)=[NH2+])CC1CCC1 83839242 572436377 /nfs/dbraw/zinc/43/63/77/572436377.db2.gz JQMRXNNVNKJDOT-UHFFFAOYSA-N 1 3 197.326 1.823 10 0 ADAEHO NCCC[N@H+](CC1CCC1)C1CC1 83838091 572436595 /nfs/dbraw/zinc/43/65/95/572436595.db2.gz NWRJAPKEZIOMRG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@@H+](CC1CCC1)C1CC1 83838091 572436596 /nfs/dbraw/zinc/43/65/96/572436596.db2.gz NWRJAPKEZIOMRG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+]CCCN(CC1CCC1)C1CC1 83838091 572436599 /nfs/dbraw/zinc/43/65/99/572436599.db2.gz NWRJAPKEZIOMRG-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]CCC1CC1 83895483 572437482 /nfs/dbraw/zinc/43/74/82/572437482.db2.gz QYNDZYIXVNRNPK-NSHDSACASA-N 1 3 184.327 1.607 10 0 ADAEHO CC(C)=CCN1CCC[C@H](C[NH3+])C1 44529430 572438454 /nfs/dbraw/zinc/43/84/54/572438454.db2.gz WYKRBCIURQRGIX-LLVKDONJSA-N 1 3 182.311 1.623 10 0 ADAEHO CN1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]2CC1 76637066 572438627 /nfs/dbraw/zinc/43/86/27/572438627.db2.gz JVKJBJOIMTZWEQ-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]CC[C@@H]1CC[C@@H](CC)CN1 238240577 572438756 /nfs/dbraw/zinc/43/87/56/572438756.db2.gz BQQDZFBXFPTUNI-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO C1C[NH2+][C@H](CCNCCC2CC2)C1 83895463 572438643 /nfs/dbraw/zinc/43/86/43/572438643.db2.gz LHNAKKCRKFQNNV-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO CN1Cc2sccc2[C@@H](CC[NH3+])C1 76637008 572438673 /nfs/dbraw/zinc/43/86/73/572438673.db2.gz FENTVVKFGHRMAU-QMMMGPOBSA-N 1 3 196.319 1.626 10 0 ADAEHO CC(C)=CCN1CCC[C@@H](C[NH3+])C1 44529432 572438702 /nfs/dbraw/zinc/43/87/02/572438702.db2.gz WYKRBCIURQRGIX-NSHDSACASA-N 1 3 182.311 1.623 10 0 ADAEHO CCNCC[C@@H]1CC[C@@H](CC)C[NH2+]1 238240577 572438750 /nfs/dbraw/zinc/43/87/50/572438750.db2.gz BQQDZFBXFPTUNI-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO CCNCC[C@@H]1CC[C@H](CC)C[NH2+]1 238240619 572438773 /nfs/dbraw/zinc/43/87/73/572438773.db2.gz BQQDZFBXFPTUNI-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[NH2+]CC[C@@H]1CC[C@H](CC)CN1 238240619 572438776 /nfs/dbraw/zinc/43/87/76/572438776.db2.gz BQQDZFBXFPTUNI-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CN1CCC[C@H](CN2CCCC2=[NH2+])C1 44537546 572438855 /nfs/dbraw/zinc/43/88/55/572438855.db2.gz JIBRWBPVBLVXCE-JTQLQIEISA-N 1 3 195.310 1.401 10 0 ADAEHO CCNC[C@@H](C)C[NH2+]CCC1CC1 83895470 572439216 /nfs/dbraw/zinc/43/92/16/572439216.db2.gz HTXDYCQEUXFVOO-SNVBAGLBSA-N 1 3 184.327 1.622 10 0 ADAEHO CN1CC[C@H]2[NH2+]CCC(C)(C)[C@H]2CC1 76637067 572439484 /nfs/dbraw/zinc/43/94/84/572439484.db2.gz JVKJBJOIMTZWEQ-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC(CC)[N@@H+]1CCC[C@H](CN)C1 44527627 572439739 /nfs/dbraw/zinc/43/97/39/572439739.db2.gz GQUSHQHIIQTLLT-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC(CC)[N@H+]1CCC[C@H](CN)C1 44527627 572439743 /nfs/dbraw/zinc/43/97/43/572439743.db2.gz GQUSHQHIIQTLLT-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]CCC1CC1 83895484 572439912 /nfs/dbraw/zinc/43/99/12/572439912.db2.gz QYNDZYIXVNRNPK-LLVKDONJSA-N 1 3 184.327 1.607 10 0 ADAEHO CN1Cc2sccc2[C@H](CC[NH3+])C1 76637006 572439947 /nfs/dbraw/zinc/43/99/47/572439947.db2.gz FENTVVKFGHRMAU-MRVPVSSYSA-N 1 3 196.319 1.626 10 0 ADAEHO CN1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2CC1 76637069 572440639 /nfs/dbraw/zinc/44/06/39/572440639.db2.gz JVKJBJOIMTZWEQ-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CN1CC[C@@H]2[C@@H](CC1)[NH2+]CCC2(C)C 76637070 572440701 /nfs/dbraw/zinc/44/07/01/572440701.db2.gz JVKJBJOIMTZWEQ-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)(N)CC[NH2+]CCC1CC1 83895482 572440705 /nfs/dbraw/zinc/44/07/05/572440705.db2.gz MOBUSORTNBVCOE-UHFFFAOYSA-N 1 3 170.300 1.504 10 0 ADAEHO C(CNC1CC1)C[NH2+]CCC1CC1 83895498 572440973 /nfs/dbraw/zinc/44/09/73/572440973.db2.gz ZZJUASXNJLQHHF-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C1C[NH2+][C@@H](CCNCCC2CC2)C1 83895462 572441917 /nfs/dbraw/zinc/44/19/17/572441917.db2.gz LHNAKKCRKFQNNV-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO CN1C[C@H]2C[NH2+]C3(CCCC3)[C@H]2C1 250552156 572441950 /nfs/dbraw/zinc/44/19/50/572441950.db2.gz AKORLQLDXXOGGY-ZJUUUORDSA-N 1 3 180.295 1.080 10 0 ADAEHO CN(CCCC[NH3+])CCC(F)(F)F 83878897 572441970 /nfs/dbraw/zinc/44/19/70/572441970.db2.gz JBDGQFUBKQTCBG-UHFFFAOYSA-N 1 3 198.232 1.610 10 0 ADAEHO Cc1cc2c(o1)CN(C)C[C@H]2CC[NH3+] 76636096 572442246 /nfs/dbraw/zinc/44/22/46/572442246.db2.gz GQTKYEDWHISMNG-SECBINFHSA-N 1 3 194.278 1.466 10 0 ADAEHO CCNCC[C@H]1CC[C@H](CC)C[NH2+]1 238241193 572442195 /nfs/dbraw/zinc/44/21/95/572442195.db2.gz BQQDZFBXFPTUNI-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[NH2+]CC[C@H]1CC[C@H](CC)CN1 238241193 572442197 /nfs/dbraw/zinc/44/21/97/572442197.db2.gz BQQDZFBXFPTUNI-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO C[NH2+][C@@H]1CCN(CCC2CC2)[C@@H](C)C1 83895138 572442497 /nfs/dbraw/zinc/44/24/97/572442497.db2.gz NFEAKAVNDMWKME-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](CCC2CC2)[C@@H](C)C1 83895138 572442500 /nfs/dbraw/zinc/44/25/00/572442500.db2.gz NFEAKAVNDMWKME-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 83895138 572442505 /nfs/dbraw/zinc/44/25/05/572442505.db2.gz NFEAKAVNDMWKME-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1 83895306 572442670 /nfs/dbraw/zinc/44/26/70/572442670.db2.gz OTDVPPZPBASQFO-RYUDHWBXSA-N 1 3 196.338 1.894 10 0 ADAEHO N[C@H]1CCC[C@@H]1C[NH2+]CCC1CC1 83895346 572442705 /nfs/dbraw/zinc/44/27/05/572442705.db2.gz XMQVCFMQBIUECZ-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO C(C[NH2+]C1CC1)NCCC1CC1 83895356 572442780 /nfs/dbraw/zinc/44/27/80/572442780.db2.gz LPOAGCICIJTNHU-UHFFFAOYSA-N 1 3 168.284 1.128 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCC1CC1 83895310 572442790 /nfs/dbraw/zinc/44/27/90/572442790.db2.gz AOAMXAAMBXRFEB-VIFPVBQESA-N 1 3 170.300 1.361 10 0 ADAEHO C/C=C\CN1[C@H]2CC[C@@H]1CC([NH3+])C2 88359127 572442896 /nfs/dbraw/zinc/44/28/96/572442896.db2.gz WNMRLJQEKPJPHY-NZPIVRBNSA-N 1 3 180.295 1.517 10 0 ADAEHO C[NH2+]C1CCN(CCC2CC2)CC1 83895146 572442947 /nfs/dbraw/zinc/44/29/47/572442947.db2.gz CCBRJFYSAYCAQV-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC1CC[NH+](CCC2CC2)CC1 83895146 572442950 /nfs/dbraw/zinc/44/29/50/572442950.db2.gz CCBRJFYSAYCAQV-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CCNCC[C@H]1CC[C@@H](CC)C[NH2+]1 238241150 572443011 /nfs/dbraw/zinc/44/30/11/572443011.db2.gz BQQDZFBXFPTUNI-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[NH2+]CC[C@H]1CC[C@@H](CC)CN1 238241150 572443014 /nfs/dbraw/zinc/44/30/14/572443014.db2.gz BQQDZFBXFPTUNI-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO NC[C@@H]1CC[N@H+](CCC2CC2)C1 83895240 572443067 /nfs/dbraw/zinc/44/30/67/572443067.db2.gz XQJDVMCVOSCIGU-JTQLQIEISA-N 1 3 168.284 1.067 10 0 ADAEHO NC[C@@H]1CC[N@@H+](CCC2CC2)C1 83895240 572443072 /nfs/dbraw/zinc/44/30/72/572443072.db2.gz XQJDVMCVOSCIGU-JTQLQIEISA-N 1 3 168.284 1.067 10 0 ADAEHO CN1C[C@@H]2C[NH2+]C3(CCCC3)[C@H]2C1 250552153 572443127 /nfs/dbraw/zinc/44/31/27/572443127.db2.gz AKORLQLDXXOGGY-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO CC(C)NCCC[NH2+]CCC1CC1 83895358 572443194 /nfs/dbraw/zinc/44/31/94/572443194.db2.gz DOYFNZXCBRWEPX-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)[NH2+]CCCNCCC1CC1 83895358 572443197 /nfs/dbraw/zinc/44/31/97/572443197.db2.gz DOYFNZXCBRWEPX-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1 83895309 572443215 /nfs/dbraw/zinc/44/32/15/572443215.db2.gz OTDVPPZPBASQFO-VXGBXAGGSA-N 1 3 196.338 1.894 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]CCC1CC1 83895312 572443416 /nfs/dbraw/zinc/44/34/16/572443416.db2.gz GQPJKTDIWDMPRF-NSHDSACASA-N 1 3 184.327 1.751 10 0 ADAEHO N[C@@H](C[NH3+])C/C=C/c1ccccc1 238805551 572443474 /nfs/dbraw/zinc/44/34/74/572443474.db2.gz CJEPOHRLGMZCFJ-TZOMUSMUSA-N 1 3 176.263 1.376 10 0 ADAEHO C1CC[C@H](CNCCC2CC2)[NH2+]C1 83895322 572443602 /nfs/dbraw/zinc/44/36/02/572443602.db2.gz KMZCQRYDVJVAMW-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO CC[NH2+]CCCNC1CCC1 61299970 572443741 /nfs/dbraw/zinc/44/37/41/572443741.db2.gz NJLQWRVFVRKWRD-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO CCNCCC[NH2+]C1CCC1 61299970 572443744 /nfs/dbraw/zinc/44/37/44/572443744.db2.gz NJLQWRVFVRKWRD-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO C[NH2+][C@@H]1CCN(CCC2CC2)[C@H](C)C1 83895137 572443998 /nfs/dbraw/zinc/44/39/98/572443998.db2.gz NFEAKAVNDMWKME-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](CCC2CC2)[C@H](C)C1 83895137 572444001 /nfs/dbraw/zinc/44/40/01/572444001.db2.gz NFEAKAVNDMWKME-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 83895137 572444004 /nfs/dbraw/zinc/44/40/04/572444004.db2.gz NFEAKAVNDMWKME-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO [NH3+][C@H]1CCN(CC(C2CC2)C2CC2)C1 83895194 572444084 /nfs/dbraw/zinc/44/40/84/572444084.db2.gz NZFAZDFGNWTLPP-NSHDSACASA-N 1 3 194.322 1.456 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN(CCC2CC2)C1 83895237 572444198 /nfs/dbraw/zinc/44/41/98/572444198.db2.gz LGLZFEQCMUBAHT-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CCNC[C@@H]1CC[N@H+](CCC2CC2)C1 83895237 572444200 /nfs/dbraw/zinc/44/42/00/572444200.db2.gz LGLZFEQCMUBAHT-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CCNC[C@@H]1CC[N@@H+](CCC2CC2)C1 83895237 572444203 /nfs/dbraw/zinc/44/42/03/572444203.db2.gz LGLZFEQCMUBAHT-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+][C@H]1CCN(CCC2CC2)C[C@@H]1C 83895155 572444282 /nfs/dbraw/zinc/44/42/82/572444282.db2.gz XUXUGDOZRAYYJF-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]C[C@H]1CCN(CCC2CC2)C1 83895238 572444817 /nfs/dbraw/zinc/44/48/17/572444817.db2.gz LGLZFEQCMUBAHT-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CCNC[C@H]1CC[N@H+](CCC2CC2)C1 83895238 572444823 /nfs/dbraw/zinc/44/48/23/572444823.db2.gz LGLZFEQCMUBAHT-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CCNC[C@H]1CC[N@@H+](CCC2CC2)C1 83895238 572444824 /nfs/dbraw/zinc/44/48/24/572444824.db2.gz LGLZFEQCMUBAHT-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+][C@H]1CCN(CCC2CC2)[C@@H](C)C1 83895140 572444867 /nfs/dbraw/zinc/44/48/67/572444867.db2.gz NFEAKAVNDMWKME-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](CCC2CC2)[C@@H](C)C1 83895140 572444869 /nfs/dbraw/zinc/44/48/69/572444869.db2.gz NFEAKAVNDMWKME-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 83895140 572444873 /nfs/dbraw/zinc/44/48/73/572444873.db2.gz NFEAKAVNDMWKME-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO N[C@@H]1CCC[C@H]1C[NH2+]CCC1CC1 83895345 572444955 /nfs/dbraw/zinc/44/49/55/572444955.db2.gz XMQVCFMQBIUECZ-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO C1CC[C@@H](CNCCC2CC2)[NH2+]C1 83895321 572444966 /nfs/dbraw/zinc/44/49/66/572444966.db2.gz KMZCQRYDVJVAMW-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO C[NH2+]C(C)(C)CNCCC1CC1 83895332 572444986 /nfs/dbraw/zinc/44/49/86/572444986.db2.gz RFEJWJZQHVQPPJ-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO Cc1cc2c(o1)CN(C)C[C@@H]2CC[NH3+] 76636094 572445189 /nfs/dbraw/zinc/44/51/89/572445189.db2.gz GQTKYEDWHISMNG-VIFPVBQESA-N 1 3 194.278 1.466 10 0 ADAEHO C1CCN(CCC[NH2+]CCC2CC2)C1 83894734 572445056 /nfs/dbraw/zinc/44/50/56/572445056.db2.gz YUJRZWVLYMZNEO-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO CNC[C@H]1CC[N@H+](CCC2CC2)C1 83895244 572445135 /nfs/dbraw/zinc/44/51/35/572445135.db2.gz VCRQAKGBJQWNGN-LLVKDONJSA-N 1 3 182.311 1.328 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CCC2CC2)C1 83895244 572445141 /nfs/dbraw/zinc/44/51/41/572445141.db2.gz VCRQAKGBJQWNGN-LLVKDONJSA-N 1 3 182.311 1.328 10 0 ADAEHO C[NH2+]C[C@H]1CCN(CCC2CC2)C1 83895244 572445145 /nfs/dbraw/zinc/44/51/45/572445145.db2.gz VCRQAKGBJQWNGN-LLVKDONJSA-N 1 3 182.311 1.328 10 0 ADAEHO [NH3+][C@@H]1CCN(CC(C2CC2)C2CC2)C1 83895195 572445338 /nfs/dbraw/zinc/44/53/38/572445338.db2.gz NZFAZDFGNWTLPP-LLVKDONJSA-N 1 3 194.322 1.456 10 0 ADAEHO CCNC[C@@H](C)C[NH2+][C@H](C)CC 61268533 572445505 /nfs/dbraw/zinc/44/55/05/572445505.db2.gz ALXHMXVXYQYCLO-NXEZZACHSA-N 1 3 172.316 1.620 10 0 ADAEHO NC[C@H]1CC[N@H+](CCC2CC2)C1 83895239 572445854 /nfs/dbraw/zinc/44/58/54/572445854.db2.gz XQJDVMCVOSCIGU-SNVBAGLBSA-N 1 3 168.284 1.067 10 0 ADAEHO NC[C@H]1CC[N@@H+](CCC2CC2)C1 83895239 572445856 /nfs/dbraw/zinc/44/58/56/572445856.db2.gz XQJDVMCVOSCIGU-SNVBAGLBSA-N 1 3 168.284 1.067 10 0 ADAEHO CCC[C@H](CN)C[NH2+]CCC1CC1 83895313 572445860 /nfs/dbraw/zinc/44/58/60/572445860.db2.gz GQPJKTDIWDMPRF-LLVKDONJSA-N 1 3 184.327 1.751 10 0 ADAEHO N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1 83895308 572445867 /nfs/dbraw/zinc/44/58/67/572445867.db2.gz OTDVPPZPBASQFO-NEPJUHHUSA-N 1 3 196.338 1.894 10 0 ADAEHO N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1 83895307 572445812 /nfs/dbraw/zinc/44/58/12/572445812.db2.gz OTDVPPZPBASQFO-NWDGAFQWSA-N 1 3 196.338 1.894 10 0 ADAEHO C[NH2+][C@H]1CCN(CCC2CC2)[C@H](C)C1 83895139 572445917 /nfs/dbraw/zinc/44/59/17/572445917.db2.gz NFEAKAVNDMWKME-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](CCC2CC2)[C@H](C)C1 83895139 572445920 /nfs/dbraw/zinc/44/59/20/572445920.db2.gz NFEAKAVNDMWKME-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 83895139 572445922 /nfs/dbraw/zinc/44/59/22/572445922.db2.gz NFEAKAVNDMWKME-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CCC2CC2)C1 83895243 572445945 /nfs/dbraw/zinc/44/59/45/572445945.db2.gz VCRQAKGBJQWNGN-NSHDSACASA-N 1 3 182.311 1.328 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CCC2CC2)C1 83895243 572445947 /nfs/dbraw/zinc/44/59/47/572445947.db2.gz VCRQAKGBJQWNGN-NSHDSACASA-N 1 3 182.311 1.328 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(CCC2CC2)C1 83895243 572445948 /nfs/dbraw/zinc/44/59/48/572445948.db2.gz VCRQAKGBJQWNGN-NSHDSACASA-N 1 3 182.311 1.328 10 0 ADAEHO C[NH2+][C@H]1CCN(CCC2CC2)C[C@H]1C 83895154 572445986 /nfs/dbraw/zinc/44/59/86/572445986.db2.gz XUXUGDOZRAYYJF-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO N[C@H]1CCC[C@H]1C[NH2+]CCC1CC1 83895347 572445997 /nfs/dbraw/zinc/44/59/97/572445997.db2.gz XMQVCFMQBIUECZ-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCC1CC1 83895311 572446094 /nfs/dbraw/zinc/44/60/94/572446094.db2.gz AOAMXAAMBXRFEB-SECBINFHSA-N 1 3 170.300 1.361 10 0 ADAEHO C[NH2+]C(C)(C)CNC(C)(C)C 61319635 572446293 /nfs/dbraw/zinc/44/62/93/572446293.db2.gz ZURIZJPYBQGOQL-UHFFFAOYSA-N 1 3 158.289 1.373 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)C1CC1 222736550 572446417 /nfs/dbraw/zinc/44/64/17/572446417.db2.gz BQCUGRMDTGCIQV-ZMLRMANQSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+]C(C)(C)CNC1CCC1 61319836 572446565 /nfs/dbraw/zinc/44/65/65/572446565.db2.gz AEHBBAXHAWZUSU-UHFFFAOYSA-N 1 3 156.273 1.127 10 0 ADAEHO CCNCCC[NH2+]CCC1CC1 83895385 572447049 /nfs/dbraw/zinc/44/70/49/572447049.db2.gz YVKDMICXKYWFAN-UHFFFAOYSA-N 1 3 170.300 1.376 10 0 ADAEHO CC[NH2+]CCCNCCC1CC1 83895385 572447056 /nfs/dbraw/zinc/44/70/56/572447056.db2.gz YVKDMICXKYWFAN-UHFFFAOYSA-N 1 3 170.300 1.376 10 0 ADAEHO CC[C@H](C)C[C@H](C)N1CC[C@H]([NH3+])C1 83865091 572447137 /nfs/dbraw/zinc/44/71/37/572447137.db2.gz HZWDEKQIQKKPIW-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCN(C[C@H]([NH3+])C2CC2)C1 68894834 572447287 /nfs/dbraw/zinc/44/72/87/572447287.db2.gz OZLMQZWWDBFCKU-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1CCCC[C@@H]1CN1CCCC1=[NH2+] 44562964 572447330 /nfs/dbraw/zinc/44/73/30/572447330.db2.gz KOVZVDFEFOTQMG-SNVBAGLBSA-N 1 3 195.310 1.544 10 0 ADAEHO CNC(C)(C)C[N@@H+]1CC[C@@H](C)C1 61319654 572447400 /nfs/dbraw/zinc/44/74/00/572447400.db2.gz IZZXGFJKRUDICJ-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC(C)(C)C[N@H+]1CC[C@@H](C)C1 61319654 572447403 /nfs/dbraw/zinc/44/74/03/572447403.db2.gz IZZXGFJKRUDICJ-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC(C)(C)C[N@@H+]1CC[C@H](C)C1 61319655 572447567 /nfs/dbraw/zinc/44/75/67/572447567.db2.gz IZZXGFJKRUDICJ-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CNC(C)(C)C[N@H+]1CC[C@H](C)C1 61319655 572447569 /nfs/dbraw/zinc/44/75/69/572447569.db2.gz IZZXGFJKRUDICJ-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CCN[C@@H](C)CC[NH2+]CCC1CC1 83895383 572448229 /nfs/dbraw/zinc/44/82/29/572448229.db2.gz NXMIKEHIBKPLSD-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)[N@H+](C)C[C@@H](N)C1CC1 68893593 572448469 /nfs/dbraw/zinc/44/84/69/572448469.db2.gz ZQSHBMDXWRPPMS-SECBINFHSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@H](N)C1CC1 68893593 572448473 /nfs/dbraw/zinc/44/84/73/572448473.db2.gz ZQSHBMDXWRPPMS-SECBINFHSA-N 1 3 156.273 1.064 10 0 ADAEHO CCN[C@H](C)CC[NH2+]CCC1CC1 83895384 572448701 /nfs/dbraw/zinc/44/87/01/572448701.db2.gz NXMIKEHIBKPLSD-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H]1CCN(C[C@H]([NH3+])C2CC2)C1 68894832 572449170 /nfs/dbraw/zinc/44/91/70/572449170.db2.gz OZLMQZWWDBFCKU-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@H](C)C[C@@H](C)N1CC[C@H]([NH3+])C1 83865089 572449365 /nfs/dbraw/zinc/44/93/65/572449365.db2.gz HZWDEKQIQKKPIW-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)C1CC1 222736421 572449536 /nfs/dbraw/zinc/44/95/36/572449536.db2.gz BQCUGRMDTGCIQV-MVWJERBFSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[N@H+](C)C[C@H](N)C1CC1 68893591 572449465 /nfs/dbraw/zinc/44/94/65/572449465.db2.gz ZQSHBMDXWRPPMS-VIFPVBQESA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+](C)C[C@H](N)C1CC1 68893591 572449467 /nfs/dbraw/zinc/44/94/67/572449467.db2.gz ZQSHBMDXWRPPMS-VIFPVBQESA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])[C@H](C2CCCC2)CN1C 74240841 572452002 /nfs/dbraw/zinc/45/20/02/572452002.db2.gz PQVXDSMWSYNAGT-ADEWGFFLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](CN)C[NH2+]CC(C1CC1)C1CC1 83910814 572450602 /nfs/dbraw/zinc/45/06/02/572450602.db2.gz PPPGFOVILCOFTN-SECBINFHSA-N 1 3 196.338 1.607 10 0 ADAEHO NCC[C@@H](C1CC1)[NH+]1CCCCCC1 74240807 572450692 /nfs/dbraw/zinc/45/06/92/572450692.db2.gz YPZKGGFBLPNURA-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC(C1CC1)C1CC1 83910811 572450710 /nfs/dbraw/zinc/45/07/10/572450710.db2.gz PPPGFOVILCOFTN-VIFPVBQESA-N 1 3 196.338 1.607 10 0 ADAEHO N[C@H](CC1CCCC1)C[NH+]1CCCC1 74240820 572450876 /nfs/dbraw/zinc/45/08/76/572450876.db2.gz KLFFQNCZUPKOTC-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO NCC[C@H](C1CC1)[NH+]1CCCCCC1 74240810 572450969 /nfs/dbraw/zinc/45/09/69/572450969.db2.gz YPZKGGFBLPNURA-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@@H]1C1CCCCC1 74240786 572451023 /nfs/dbraw/zinc/45/10/23/572451023.db2.gz JKOBEYLTPOTZRD-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@@H]1C1CCCCC1 74240786 572451026 /nfs/dbraw/zinc/45/10/26/572451026.db2.gz JKOBEYLTPOTZRD-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@@H]1C1CCCCC1 74240786 572451029 /nfs/dbraw/zinc/45/10/29/572451029.db2.gz JKOBEYLTPOTZRD-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO Cc1c[nH]c([C@@H](N)CCC[NH+](C)C)n1 74241170 572451099 /nfs/dbraw/zinc/45/10/99/572451099.db2.gz PVFLRJJUDSBQSW-VIFPVBQESA-N 1 3 196.298 1.060 10 0 ADAEHO C[C@@H]1[C@H](C2CCCC2)[C@H]([NH3+])CCN1C 74240845 572451134 /nfs/dbraw/zinc/45/11/34/572451134.db2.gz CRDQHJJEWCCJGN-YUSALJHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[N@@H+]1C[C@@H](N)C[C@@H](C2CCCCC2)C1 74240775 572451144 /nfs/dbraw/zinc/45/11/44/572451144.db2.gz GUCXUVMGIQHDNM-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@@H](N)C[C@@H](C2CCCCC2)C1 74240775 572451147 /nfs/dbraw/zinc/45/11/47/572451147.db2.gz GUCXUVMGIQHDNM-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO N[C@@H](CC1CCCC1)C[NH+]1CCCC1 74240818 572451247 /nfs/dbraw/zinc/45/12/47/572451247.db2.gz KLFFQNCZUPKOTC-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO C[N@@H+]1C[C@@H](N)C[C@H](C2CCCCC2)C1 74240780 572451501 /nfs/dbraw/zinc/45/15/01/572451501.db2.gz GUCXUVMGIQHDNM-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@@H](N)C[C@H](C2CCCCC2)C1 74240780 572451505 /nfs/dbraw/zinc/45/15/05/572451505.db2.gz GUCXUVMGIQHDNM-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO Cc1nc([C@@H](N)CCC[NH+](C)C)c[nH]1 74241160 572451590 /nfs/dbraw/zinc/45/15/90/572451590.db2.gz YXYOZQCTPCCLNL-VIFPVBQESA-N 1 3 196.298 1.060 10 0 ADAEHO Cc1c[nH]c([C@H](N)CCC[NH+](C)C)n1 74241168 572451635 /nfs/dbraw/zinc/45/16/35/572451635.db2.gz PVFLRJJUDSBQSW-SECBINFHSA-N 1 3 196.298 1.060 10 0 ADAEHO CN[C@H](C[NH3+])CCc1ccccc1 61625142 572451820 /nfs/dbraw/zinc/45/18/20/572451820.db2.gz WVXQGQWUTMPEKQ-NSHDSACASA-N 1 3 178.279 1.166 10 0 ADAEHO Cc1nc([C@H](N)CCC[NH+](C)C)c[nH]1 74241158 572452042 /nfs/dbraw/zinc/45/20/42/572452042.db2.gz YXYOZQCTPCCLNL-SECBINFHSA-N 1 3 196.298 1.060 10 0 ADAEHO C[C@H](N)CC[NH2+]CC(C1CC1)C1CC1 83910845 572452152 /nfs/dbraw/zinc/45/21/52/572452152.db2.gz QTRWFYOAWMPGSN-VIFPVBQESA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC(C1CC1)C1CC1 83910848 572452199 /nfs/dbraw/zinc/45/21/99/572452199.db2.gz QTRWFYOAWMPGSN-SECBINFHSA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])[C@H](C2CCCC2)CN1C 74240837 572452283 /nfs/dbraw/zinc/45/22/83/572452283.db2.gz PQVXDSMWSYNAGT-USWWRNFRSA-N 1 3 196.338 1.844 10 0 ADAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1C1CCCCC1 74240784 572452330 /nfs/dbraw/zinc/45/23/30/572452330.db2.gz JKOBEYLTPOTZRD-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CC[C@H](N)C[C@@H]1C1CCCCC1 74240784 572452335 /nfs/dbraw/zinc/45/23/35/572452335.db2.gz JKOBEYLTPOTZRD-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CC[C@H]([NH3+])C[C@@H]1C1CCCCC1 74240784 572452341 /nfs/dbraw/zinc/45/23/41/572452341.db2.gz JKOBEYLTPOTZRD-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[NH2+]CCNCC(C1CC1)C1CC1 83910886 572452827 /nfs/dbraw/zinc/45/28/27/572452827.db2.gz XKHGHWXIKAUXJU-UHFFFAOYSA-N 1 3 196.338 1.622 10 0 ADAEHO Cc1ccoc1[C@@H](N)CCC[NH+](C)C 74241375 572453230 /nfs/dbraw/zinc/45/32/30/572453230.db2.gz JUYQRPRCOOPDJI-JTQLQIEISA-N 1 3 196.294 1.930 10 0 ADAEHO NCCC[NH2+]CC(C1CC1)C1CC1 83910891 572453330 /nfs/dbraw/zinc/45/33/30/572453330.db2.gz BOXXCXXNNRRALL-UHFFFAOYSA-N 1 3 182.311 1.361 10 0 ADAEHO C[NH2+][C@H](C)CNCC(C1CC1)C1CC1 83910805 572453357 /nfs/dbraw/zinc/45/33/57/572453357.db2.gz JVKORMXWUVIAMI-SECBINFHSA-N 1 3 196.338 1.620 10 0 ADAEHO CNCCC[NH2+]CC(C1CC1)C1CC1 83910986 572453503 /nfs/dbraw/zinc/45/35/03/572453503.db2.gz DALOYTVDHCVDFM-UHFFFAOYSA-N 1 3 196.338 1.622 10 0 ADAEHO C[NH2+]CCNCC(C1CC1)C1CC1 83910947 572453640 /nfs/dbraw/zinc/45/36/40/572453640.db2.gz YSCXIOIMHGMRPF-UHFFFAOYSA-N 1 3 182.311 1.232 10 0 ADAEHO CCSCC[NH2+]C1CCNCC1 308030810 572453978 /nfs/dbraw/zinc/45/39/78/572453978.db2.gz IYKXBDVXYQKZCN-UHFFFAOYSA-N 1 3 188.340 1.081 10 0 ADAEHO CCSCCNC1CC[NH2+]CC1 308030810 572453983 /nfs/dbraw/zinc/45/39/83/572453983.db2.gz IYKXBDVXYQKZCN-UHFFFAOYSA-N 1 3 188.340 1.081 10 0 ADAEHO Cc1cocc1[C@H](N)CCC[NH+](C)C 74241368 572454343 /nfs/dbraw/zinc/45/43/43/572454343.db2.gz YOIZTPHFWFZIPP-LLVKDONJSA-N 1 3 196.294 1.930 10 0 ADAEHO CC[C@@H]1CCN(CCC2CC2)CC[NH2+]1 83912329 572454313 /nfs/dbraw/zinc/45/43/13/572454313.db2.gz HZWBJVLLQFCZNQ-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@H+](CCC2CC2)CCN1 83912329 572454318 /nfs/dbraw/zinc/45/43/18/572454318.db2.gz HZWBJVLLQFCZNQ-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CCC2CC2)CCN1 83912329 572454325 /nfs/dbraw/zinc/45/43/25/572454325.db2.gz HZWBJVLLQFCZNQ-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO Cc1cocc1[C@@H](N)CCC[NH+](C)C 74241369 572454611 /nfs/dbraw/zinc/45/46/11/572454611.db2.gz YOIZTPHFWFZIPP-NSHDSACASA-N 1 3 196.294 1.930 10 0 ADAEHO CC[N@H+](CCC1CC1)C[C@H](C)CN 83926204 572454669 /nfs/dbraw/zinc/45/46/69/572454669.db2.gz BDGWDVSEHUSSGJ-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[N@@H+](CCC1CC1)C[C@H](C)CN 83926204 572454673 /nfs/dbraw/zinc/45/46/73/572454673.db2.gz BDGWDVSEHUSSGJ-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO NC[C@H]1CCC[N@H+](CCC2CC2)C1 83926240 572455084 /nfs/dbraw/zinc/45/50/84/572455084.db2.gz RLOVIICKOSIBNO-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO NC[C@H]1CCC[N@@H+](CCC2CC2)C1 83926240 572455089 /nfs/dbraw/zinc/45/50/89/572455089.db2.gz RLOVIICKOSIBNO-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO [NH3+]C[C@H]1CCCN(CCC2CC2)C1 83926240 572455093 /nfs/dbraw/zinc/45/50/93/572455093.db2.gz RLOVIICKOSIBNO-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO CC[N@H+](CCC1CC1)C[C@@H](C)CN 83926203 572455130 /nfs/dbraw/zinc/45/51/30/572455130.db2.gz BDGWDVSEHUSSGJ-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[N@@H+](CCC1CC1)C[C@@H](C)CN 83926203 572455133 /nfs/dbraw/zinc/45/51/33/572455133.db2.gz BDGWDVSEHUSSGJ-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](CN)C[N@H+](C)CCC1CC1 83926206 572455723 /nfs/dbraw/zinc/45/57/23/572455723.db2.gz GRVFCDQHBBWQMT-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)CCC1CC1 83926206 572455729 /nfs/dbraw/zinc/45/57/29/572455729.db2.gz GRVFCDQHBBWQMT-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](C[NH3+])CN(C)CCC1CC1 83926206 572455735 /nfs/dbraw/zinc/45/57/35/572455735.db2.gz GRVFCDQHBBWQMT-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO NCCC[N@H+](CCC1CC1)C1CC1 83926180 572455988 /nfs/dbraw/zinc/45/59/88/572455988.db2.gz CZUJPUOHWOQKEA-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@@H+](CCC1CC1)C1CC1 83926180 572455991 /nfs/dbraw/zinc/45/59/91/572455991.db2.gz CZUJPUOHWOQKEA-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+]CCCN(CCC1CC1)C1CC1 83926180 572455994 /nfs/dbraw/zinc/45/59/94/572455994.db2.gz CZUJPUOHWOQKEA-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC(CC)NCC[NH2+]C(C)C 53388172 572455999 /nfs/dbraw/zinc/45/59/99/572455999.db2.gz QJFSTQKJJWXZHI-UHFFFAOYSA-N 1 3 172.316 1.763 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CCC1CC1 83926205 572456005 /nfs/dbraw/zinc/45/60/05/572456005.db2.gz GRVFCDQHBBWQMT-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CCC1CC1 83926205 572456008 /nfs/dbraw/zinc/45/60/08/572456008.db2.gz GRVFCDQHBBWQMT-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)CCC1CC1 83926205 572456011 /nfs/dbraw/zinc/45/60/11/572456011.db2.gz GRVFCDQHBBWQMT-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](N)[C@H]1CCC[N@H+](CCC2CC2)C1 83925990 572456125 /nfs/dbraw/zinc/45/61/25/572456125.db2.gz XKZRXUXARWODGK-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N)[C@H]1CCC[N@@H+](CCC2CC2)C1 83925990 572456130 /nfs/dbraw/zinc/45/61/30/572456130.db2.gz XKZRXUXARWODGK-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@H]1CCC[N@H+](CCC2CC2)C1 83925991 572456221 /nfs/dbraw/zinc/45/62/21/572456221.db2.gz XKZRXUXARWODGK-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@H]1CCC[N@@H+](CCC2CC2)C1 83925991 572456224 /nfs/dbraw/zinc/45/62/24/572456224.db2.gz XKZRXUXARWODGK-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@@H]1CCC[N@H+](CCC2CC2)C1 83925989 572456279 /nfs/dbraw/zinc/45/62/79/572456279.db2.gz XKZRXUXARWODGK-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCC2CC2)C1 83925989 572456282 /nfs/dbraw/zinc/45/62/82/572456282.db2.gz XKZRXUXARWODGK-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[NH2+]CCNC(C)(C)CC 53388117 572456347 /nfs/dbraw/zinc/45/63/47/572456347.db2.gz MADNTVPTIPDQGX-UHFFFAOYSA-N 1 3 172.316 1.764 10 0 ADAEHO CC(C)[N@H+](CCCN)CCC1CC1 83926179 572456454 /nfs/dbraw/zinc/45/64/54/572456454.db2.gz UUMJHOCVOWTEDP-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[N@@H+](CCCN)CCC1CC1 83926179 572456457 /nfs/dbraw/zinc/45/64/57/572456457.db2.gz UUMJHOCVOWTEDP-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)CCC1CC1 83926232 572456879 /nfs/dbraw/zinc/45/68/79/572456879.db2.gz OFHFAKIKBZTXNZ-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)CCC1CC1 83926232 572456883 /nfs/dbraw/zinc/45/68/83/572456883.db2.gz OFHFAKIKBZTXNZ-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)CCC1CC1 83926232 572456887 /nfs/dbraw/zinc/45/68/87/572456887.db2.gz OFHFAKIKBZTXNZ-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](N)[C@@H]1CCC[N@H+](CCC2CC2)C1 83925988 572457105 /nfs/dbraw/zinc/45/71/05/572457105.db2.gz XKZRXUXARWODGK-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N)[C@@H]1CCC[N@@H+](CCC2CC2)C1 83925988 572457110 /nfs/dbraw/zinc/45/71/10/572457110.db2.gz XKZRXUXARWODGK-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CCC2CC2)C1 83926378 572457172 /nfs/dbraw/zinc/45/71/72/572457172.db2.gz DLSPAAMEPGPEDO-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN(C2CCC2)C1 68954758 572457410 /nfs/dbraw/zinc/45/74/10/572457410.db2.gz JUPKVDBWFSFZAV-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO NC[C@@H]1CCC[N@H+](CCC2CC2)C1 83926241 572457469 /nfs/dbraw/zinc/45/74/69/572457469.db2.gz RLOVIICKOSIBNO-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 83926241 572457474 /nfs/dbraw/zinc/45/74/74/572457474.db2.gz RLOVIICKOSIBNO-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO [NH3+]C[C@@H]1CCCN(CCC2CC2)C1 83926241 572457476 /nfs/dbraw/zinc/45/74/76/572457476.db2.gz RLOVIICKOSIBNO-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N(C)CCC1CC1 83926870 572460774 /nfs/dbraw/zinc/46/07/74/572460774.db2.gz AYYCUQPGTLZKJW-QMMMGPOBSA-N 1 3 183.299 1.433 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CCC2CC2)C1 83926377 572457616 /nfs/dbraw/zinc/45/76/16/572457616.db2.gz DLSPAAMEPGPEDO-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@@H](C)CNC 68948615 572457625 /nfs/dbraw/zinc/45/76/25/572457625.db2.gz KYXFCNSLBFYOGA-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@@H](C)CNC 68948615 572457629 /nfs/dbraw/zinc/45/76/29/572457629.db2.gz KYXFCNSLBFYOGA-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CCC[N@@H+](CCCN)CCC1CC1 83926178 572458213 /nfs/dbraw/zinc/45/82/13/572458213.db2.gz ZEMFOOQIYFILJX-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO C[C@H](CCN)[N@H+](C)CCC1CC1 83926233 572457780 /nfs/dbraw/zinc/45/77/80/572457780.db2.gz OFHFAKIKBZTXNZ-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)CCC1CC1 83926233 572457787 /nfs/dbraw/zinc/45/77/87/572457787.db2.gz OFHFAKIKBZTXNZ-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](CC[NH3+])N(C)CCC1CC1 83926233 572457793 /nfs/dbraw/zinc/45/77/93/572457793.db2.gz OFHFAKIKBZTXNZ-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1CCN(CCC2CC2)CC[NH2+]1 83912332 572458064 /nfs/dbraw/zinc/45/80/64/572458064.db2.gz HZWBJVLLQFCZNQ-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@H+](CCC2CC2)CCN1 83912332 572458069 /nfs/dbraw/zinc/45/80/69/572458069.db2.gz HZWBJVLLQFCZNQ-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@@H+](CCC2CC2)CCN1 83912332 572458071 /nfs/dbraw/zinc/45/80/71/572458071.db2.gz HZWBJVLLQFCZNQ-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+](CCCN)CCC1CC1 83926178 572458210 /nfs/dbraw/zinc/45/82/10/572458210.db2.gz ZEMFOOQIYFILJX-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO CN(C1CCC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 68954768 572458343 /nfs/dbraw/zinc/45/83/43/572458343.db2.gz JSXUKVDJSZQCEL-DHHPTOIESA-N 1 3 194.322 1.754 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCC1CC1 83926925 572459330 /nfs/dbraw/zinc/45/93/30/572459330.db2.gz LKVNIQXFAAPMOB-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@H]1CCCN(C2CCC2)C1 68954765 572458758 /nfs/dbraw/zinc/45/87/58/572458758.db2.gz JUPKVDBWFSFZAV-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@H]1CCC[N@@H+]1CCC1CC1 83926921 572458845 /nfs/dbraw/zinc/45/88/45/572458845.db2.gz CGGZNAASIWPGOF-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@H]1CCC[N@H+]1CCC1CC1 83926921 572458854 /nfs/dbraw/zinc/45/88/54/572458854.db2.gz CGGZNAASIWPGOF-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO NCC[C@H]1CCCC[N@@H+]1CCC1CC1 83935393 572458907 /nfs/dbraw/zinc/45/89/07/572458907.db2.gz RHFYEAIBYZBYGW-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO NCC[C@H]1CCCC[N@H+]1CCC1CC1 83935393 572458911 /nfs/dbraw/zinc/45/89/11/572458911.db2.gz RHFYEAIBYZBYGW-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO CN(CCC(N)=[NH2+])CCC1CC1 83926860 572458952 /nfs/dbraw/zinc/45/89/52/572458952.db2.gz LTLMJLBXGCFWMN-UHFFFAOYSA-N 1 3 169.272 1.044 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCC1CC1 83926925 572459335 /nfs/dbraw/zinc/45/93/35/572459335.db2.gz LKVNIQXFAAPMOB-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](CN(C)CCC1CC1)C(N)=[NH2+] 83926863 572459504 /nfs/dbraw/zinc/45/95/04/572459504.db2.gz IDLUAAVXYNHAPC-QMMMGPOBSA-N 1 3 183.299 1.290 10 0 ADAEHO CC(C)N(CCC(N)=[NH2+])CCC1CC1 83926865 572459683 /nfs/dbraw/zinc/45/96/83/572459683.db2.gz DDXQHJDLEOWCCB-UHFFFAOYSA-N 1 3 197.326 1.823 10 0 ADAEHO CCN(CCC(N)=[NH2+])CCC1CC1 83926862 572460344 /nfs/dbraw/zinc/46/03/44/572460344.db2.gz FDXASXWETGZIOB-UHFFFAOYSA-N 1 3 183.299 1.434 10 0 ADAEHO NC(=[NH2+])CCN(CCC1CC1)C1CC1 83926866 572460490 /nfs/dbraw/zinc/46/04/90/572460490.db2.gz FALFNTXOWFRBEB-UHFFFAOYSA-N 1 3 195.310 1.577 10 0 ADAEHO CCN(CCC1CC1)C[C@@H](C)C(N)=[NH2+] 83926861 572461277 /nfs/dbraw/zinc/46/12/77/572461277.db2.gz AIUKOFUFBVRSER-SECBINFHSA-N 1 3 197.326 1.680 10 0 ADAEHO C[NH2+]C[C@H]1CCCN(CCC2CC2)C1 83926960 572461564 /nfs/dbraw/zinc/46/15/64/572461564.db2.gz TYISQMCWPIIEBZ-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCC1CC1 83926927 572461750 /nfs/dbraw/zinc/46/17/50/572461750.db2.gz LKVNIQXFAAPMOB-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCC1CC1 83926927 572461752 /nfs/dbraw/zinc/46/17/52/572461752.db2.gz LKVNIQXFAAPMOB-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H]1CCC[N@H+](CCC2CC2)C1 83926960 572461567 /nfs/dbraw/zinc/46/15/67/572461567.db2.gz TYISQMCWPIIEBZ-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CNC[C@H]1CCC[N@@H+](CCC2CC2)C1 83926960 572461572 /nfs/dbraw/zinc/46/15/72/572461572.db2.gz TYISQMCWPIIEBZ-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO NCC[C@@H]1CCCC[N@@H+]1CCC1CC1 83935390 572461886 /nfs/dbraw/zinc/46/18/86/572461886.db2.gz RHFYEAIBYZBYGW-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO NCC[C@@H]1CCCC[N@H+]1CCC1CC1 83935390 572461887 /nfs/dbraw/zinc/46/18/87/572461887.db2.gz RHFYEAIBYZBYGW-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CN(CCC1CC1)C1CC[NH2+]CC1 83935232 572461935 /nfs/dbraw/zinc/46/19/35/572461935.db2.gz YPBWWZYSRIOADN-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CSCCN1CC[C@@H]([NH3+])C[C@H]1C 69012041 572462340 /nfs/dbraw/zinc/46/23/40/572462340.db2.gz YEHHNKONSXMKSU-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCC1CC1 83926928 572462377 /nfs/dbraw/zinc/46/23/77/572462377.db2.gz LKVNIQXFAAPMOB-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCC1CC1 83926928 572462380 /nfs/dbraw/zinc/46/23/80/572462380.db2.gz LKVNIQXFAAPMOB-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCC1CC1 83926926 572462438 /nfs/dbraw/zinc/46/24/38/572462438.db2.gz LKVNIQXFAAPMOB-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CCC1CC1 83926926 572462442 /nfs/dbraw/zinc/46/24/42/572462442.db2.gz LKVNIQXFAAPMOB-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN(CCC2CC2)C1 83926959 572462480 /nfs/dbraw/zinc/46/24/80/572462480.db2.gz TYISQMCWPIIEBZ-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CNC[C@@H]1CCC[N@H+](CCC2CC2)C1 83926959 572462481 /nfs/dbraw/zinc/46/24/81/572462481.db2.gz TYISQMCWPIIEBZ-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CNC[C@@H]1CCC[N@@H+](CCC2CC2)C1 83926959 572462486 /nfs/dbraw/zinc/46/24/86/572462486.db2.gz TYISQMCWPIIEBZ-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CNC[C@@H]1CCC[N@@H+]1CCC1CC1 83926920 572462525 /nfs/dbraw/zinc/46/25/25/572462525.db2.gz CGGZNAASIWPGOF-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@@H]1CCC[N@H+]1CCC1CC1 83926920 572462526 /nfs/dbraw/zinc/46/25/26/572462526.db2.gz CGGZNAASIWPGOF-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H](CC(N)=[NH2+])N(C)CCC1CC1 83926871 572462682 /nfs/dbraw/zinc/46/26/82/572462682.db2.gz AYYCUQPGTLZKJW-MRVPVSSYSA-N 1 3 183.299 1.433 10 0 ADAEHO CSCCN1CC[C@@H]([NH3+])C[C@@H]1C 69012043 572463522 /nfs/dbraw/zinc/46/35/22/572463522.db2.gz YEHHNKONSXMKSU-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CSCCN1CC[C@H]([NH3+])C[C@H]1C 69012045 572463611 /nfs/dbraw/zinc/46/36/11/572463611.db2.gz YEHHNKONSXMKSU-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CCCCN(C)[C@@H]1C[C@@H]([NH3+])C1(C)C 405247869 572463883 /nfs/dbraw/zinc/46/38/83/572463883.db2.gz GQXGXPFJWDORDM-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1nc([C@H](N)CCC[NH+](C)C)co1 74239362 572464211 /nfs/dbraw/zinc/46/42/11/572464211.db2.gz KYKTUBCMXFYKML-SECBINFHSA-N 1 3 197.282 1.325 10 0 ADAEHO CSCCN1CC[C@H]([NH3+])C[C@@H]1C 69012047 572465064 /nfs/dbraw/zinc/46/50/64/572465064.db2.gz YEHHNKONSXMKSU-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO Cc1nc([C@@H](N)CCC[NH+](C)C)co1 74239364 572465831 /nfs/dbraw/zinc/46/58/31/572465831.db2.gz KYKTUBCMXFYKML-VIFPVBQESA-N 1 3 197.282 1.325 10 0 ADAEHO CCN1CCC(=CCC[NH3+])CC1 69050540 572466615 /nfs/dbraw/zinc/46/66/15/572466615.db2.gz SLDIYRPQFPNGGD-UHFFFAOYSA-N 1 3 168.284 1.377 10 0 ADAEHO CN(C)CCSC[C@@H]1CCC[NH2+]1 87417173 572476393 /nfs/dbraw/zinc/47/63/93/572476393.db2.gz YIIPWEAKNPXWOK-VIFPVBQESA-N 1 3 188.340 1.033 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C 308038871 572470416 /nfs/dbraw/zinc/47/04/16/572470416.db2.gz MFBBWUDCVSPTNX-IVZWLZJFSA-N 1 3 170.300 1.359 10 0 ADAEHO NC[C@H]1CCC[N@H+](C2CC2)[C@@H]1C1CC1 74245618 572470568 /nfs/dbraw/zinc/47/05/68/572470568.db2.gz JQSIJIIBFBOASK-ZYHUDNBSSA-N 1 3 194.322 1.598 10 0 ADAEHO NC[C@H]1CCC[N@@H+](C2CC2)[C@@H]1C1CC1 74245618 572470571 /nfs/dbraw/zinc/47/05/71/572470571.db2.gz JQSIJIIBFBOASK-ZYHUDNBSSA-N 1 3 194.322 1.598 10 0 ADAEHO CN1CC[C@H](C[NH3+])[C@@H](C(F)(F)F)C1 250555084 572470611 /nfs/dbraw/zinc/47/06/11/572470611.db2.gz AYBHFBDDJCKJCR-RQJHMYQMSA-N 1 3 196.216 1.075 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)CC[C@H]1C1CCC1 250557174 572475132 /nfs/dbraw/zinc/47/51/32/572475132.db2.gz BLBICXVCJVOPLX-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@@H](CN)CC[C@H]1C1CCC1 250557174 572475133 /nfs/dbraw/zinc/47/51/33/572475133.db2.gz BLBICXVCJVOPLX-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CCN[C@@](C)(CC[NH3+])c1ccccc1 238258674 572471038 /nfs/dbraw/zinc/47/10/38/572471038.db2.gz IMODBMAVXVALHV-LBPRGKRZSA-N 1 3 192.306 1.860 10 0 ADAEHO C=C/C=C\CC[N@H+]1C[C@H](CN)C[C@H]1C 713714730 572471090 /nfs/dbraw/zinc/47/10/90/572471090.db2.gz BWAUFGDHIYYVHI-JYYSYOFASA-N 1 3 194.322 1.788 10 0 ADAEHO C=C/C=C\CC[N@@H+]1C[C@H](CN)C[C@H]1C 713714730 572471094 /nfs/dbraw/zinc/47/10/94/572471094.db2.gz BWAUFGDHIYYVHI-JYYSYOFASA-N 1 3 194.322 1.788 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1CC[C@H]1C 308038870 572471106 /nfs/dbraw/zinc/47/11/06/572471106.db2.gz MFBBWUDCVSPTNX-BBBLOLIVSA-N 1 3 170.300 1.359 10 0 ADAEHO C=C/C=C/CC[N@H+]1C[C@H](CN)C[C@@H]1C 713714898 572471752 /nfs/dbraw/zinc/47/17/52/572471752.db2.gz BWAUFGDHIYYVHI-XMXMHJJKSA-N 1 3 194.322 1.788 10 0 ADAEHO C=C/C=C/CC[N@@H+]1C[C@H](CN)C[C@@H]1C 713714898 572471756 /nfs/dbraw/zinc/47/17/56/572471756.db2.gz BWAUFGDHIYYVHI-XMXMHJJKSA-N 1 3 194.322 1.788 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C 308038869 572471764 /nfs/dbraw/zinc/47/17/64/572471764.db2.gz MFBBWUDCVSPTNX-AEJSXWLSSA-N 1 3 170.300 1.359 10 0 ADAEHO CN1CC[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 250555081 572472090 /nfs/dbraw/zinc/47/20/90/572472090.db2.gz AYBHFBDDJCKJCR-BQBZGAKWSA-N 1 3 196.216 1.075 10 0 ADAEHO C=C/C=C/CC[N@H+]1C[C@H](CN)C[C@H]1C 713714733 572472282 /nfs/dbraw/zinc/47/22/82/572472282.db2.gz BWAUFGDHIYYVHI-RVAOTSRCSA-N 1 3 194.322 1.788 10 0 ADAEHO C=C/C=C/CC[N@@H+]1C[C@H](CN)C[C@H]1C 713714733 572472286 /nfs/dbraw/zinc/47/22/86/572472286.db2.gz BWAUFGDHIYYVHI-RVAOTSRCSA-N 1 3 194.322 1.788 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1CC[C@H]1C 308038872 572473339 /nfs/dbraw/zinc/47/33/39/572473339.db2.gz MFBBWUDCVSPTNX-OPRDCNLKSA-N 1 3 170.300 1.359 10 0 ADAEHO C=C/C=C\CC[N@H+]1C[C@H](CN)C[C@@H]1C 713714727 572473418 /nfs/dbraw/zinc/47/34/18/572473418.db2.gz BWAUFGDHIYYVHI-DFPOMNKCSA-N 1 3 194.322 1.788 10 0 ADAEHO C=C/C=C\CC[N@@H+]1C[C@H](CN)C[C@@H]1C 713714727 572473420 /nfs/dbraw/zinc/47/34/20/572473420.db2.gz BWAUFGDHIYYVHI-DFPOMNKCSA-N 1 3 194.322 1.788 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@H+](C)CCCOC 62030595 572473448 /nfs/dbraw/zinc/47/34/48/572473448.db2.gz KTLRIEQDEZDSDZ-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@@H+](C)CCCOC 62030595 572473449 /nfs/dbraw/zinc/47/34/49/572473449.db2.gz KTLRIEQDEZDSDZ-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CCC[C@H](N)C[N@H+](C)CCCOC 62030303 572474158 /nfs/dbraw/zinc/47/41/58/572474158.db2.gz MIKVCYPTIBYSGJ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCC[C@H](N)C[N@@H+](C)CCCOC 62030303 572474161 /nfs/dbraw/zinc/47/41/61/572474161.db2.gz MIKVCYPTIBYSGJ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CN(C)CCSC1CC[NH2+]CC1 87417198 572478466 /nfs/dbraw/zinc/47/84/66/572478466.db2.gz KHJIYVZUBFTEOW-UHFFFAOYSA-N 1 3 188.340 1.033 10 0 ADAEHO C[C@H]([NH3+])CCCSCCN(C)C 87417541 572477150 /nfs/dbraw/zinc/47/71/50/572477150.db2.gz ACVASCSRJREISO-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CN(C)CCS[C@@H]1CCC[NH2+]C1 87417190 572475217 /nfs/dbraw/zinc/47/52/17/572475217.db2.gz QROJEZDYNYGMAN-SECBINFHSA-N 1 3 188.340 1.033 10 0 ADAEHO C[NH2+][C@@H](C)CCSCCN(C)C 87417529 572478521 /nfs/dbraw/zinc/47/85/21/572478521.db2.gz KUJLTQOOXNCBJS-VIFPVBQESA-N 1 3 190.356 1.279 10 0 ADAEHO CC[C@H]([NH3+])[C@H](C)SCCN(C)C 87417424 572475537 /nfs/dbraw/zinc/47/55/37/572475537.db2.gz UGEZBFJIYDJWMA-IUCAKERBSA-N 1 3 190.356 1.407 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H](C2CCCC2)C1 250557729 572475539 /nfs/dbraw/zinc/47/55/39/572475539.db2.gz BPIUDVSDBPQBFF-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CCCNC[C@@H](C)[NH2+]C1CC1 53493646 572475554 /nfs/dbraw/zinc/47/55/54/572475554.db2.gz BRPJKXVQRJAPCL-MRVPVSSYSA-N 1 3 156.273 1.127 10 0 ADAEHO C[NH2+][C@@H](C)[C@H](C)SCCN(C)C 87417434 572475660 /nfs/dbraw/zinc/47/56/60/572475660.db2.gz QTJOMWZCHUMXSI-IUCAKERBSA-N 1 3 190.356 1.278 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](C2CCCC2)C1 250557728 572475698 /nfs/dbraw/zinc/47/56/98/572475698.db2.gz BPIUDVSDBPQBFF-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[NH2+]CCSCCN(C)C 87417140 572475712 /nfs/dbraw/zinc/47/57/12/572475712.db2.gz CLJIZEUSYULAML-UHFFFAOYSA-N 1 3 190.356 1.281 10 0 ADAEHO CC[C@@H](CSCCN(C)C)[NH2+]C 87417399 572475786 /nfs/dbraw/zinc/47/57/86/572475786.db2.gz FFUBTADGANPHJD-VIFPVBQESA-N 1 3 190.356 1.279 10 0 ADAEHO C[NH2+][C@H](C)[C@@H](C)SCCN(C)C 87417433 572478498 /nfs/dbraw/zinc/47/84/98/572478498.db2.gz QTJOMWZCHUMXSI-RKDXNWHRSA-N 1 3 190.356 1.278 10 0 ADAEHO CC[C@H]([NH3+])[C@@H](C)SCCN(C)C 87417422 572475812 /nfs/dbraw/zinc/47/58/12/572475812.db2.gz UGEZBFJIYDJWMA-BDAKNGLRSA-N 1 3 190.356 1.407 10 0 ADAEHO C[NH2+][C@@H](C)CNCCC(C)C 53493273 572475849 /nfs/dbraw/zinc/47/58/49/572475849.db2.gz UMFUCIJIBWYWFD-VIFPVBQESA-N 1 3 158.289 1.230 10 0 ADAEHO CN(C)CCS[C@@H]1CCC[C@H]1[NH3+] 87417559 572475875 /nfs/dbraw/zinc/47/58/75/572475875.db2.gz KRSYGTATASPXOE-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CN(C)CCS[C@H]1CCC[NH2+]C1 87417191 572475889 /nfs/dbraw/zinc/47/58/89/572475889.db2.gz QROJEZDYNYGMAN-VIFPVBQESA-N 1 3 188.340 1.033 10 0 ADAEHO NC1=N[C@@H]2CC[C@H](CC[NH3+])C[C@H]2S1 527013531 572475940 /nfs/dbraw/zinc/47/59/40/572475940.db2.gz ATZWZTACSWGFEG-BWZBUEFSSA-N 1 3 199.323 1.144 10 0 ADAEHO CN1C[C@@H]2C[NH2+]C3(CCCCC3)[C@H]2C1 250580095 572475970 /nfs/dbraw/zinc/47/59/70/572475970.db2.gz FWKSMHOKUFITHE-QWRGUYRKSA-N 1 3 194.322 1.470 10 0 ADAEHO C[NH2+][C@H](C)CCSCCN(C)C 87417530 572476120 /nfs/dbraw/zinc/47/61/20/572476120.db2.gz KUJLTQOOXNCBJS-SECBINFHSA-N 1 3 190.356 1.279 10 0 ADAEHO CN(C)CCSC[C@H]([NH3+])C1CC1 87417535 572476136 /nfs/dbraw/zinc/47/61/36/572476136.db2.gz FIHHQMAVEMSHAT-VIFPVBQESA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])SCCN(C)C 87417490 572476169 /nfs/dbraw/zinc/47/61/69/572476169.db2.gz JHHABYOKNJHSDR-BDAKNGLRSA-N 1 3 190.356 1.407 10 0 ADAEHO CCC[C@@H]([NH3+])CSCCN(C)C 87417562 572476210 /nfs/dbraw/zinc/47/62/10/572476210.db2.gz HJKZXKUCHNOAQF-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CN(C)CCSC[C@H]1CCC[NH2+]1 87417174 572476252 /nfs/dbraw/zinc/47/62/52/572476252.db2.gz YIIPWEAKNPXWOK-SECBINFHSA-N 1 3 188.340 1.033 10 0 ADAEHO CCCCNC[C@@H](C)[NH2+]CC 53493364 572476299 /nfs/dbraw/zinc/47/62/99/572476299.db2.gz KEFNYIIMRLAZLC-SECBINFHSA-N 1 3 158.289 1.374 10 0 ADAEHO CN(C)CCS[C@H]1CCC[C@H]1[NH3+] 87417560 572476401 /nfs/dbraw/zinc/47/64/01/572476401.db2.gz KRSYGTATASPXOE-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[N@@H+]1C[C@H](CN)CC[C@H]1C1CCC1 250557175 572476603 /nfs/dbraw/zinc/47/66/03/572476603.db2.gz BLBICXVCJVOPLX-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](CN)CC[C@H]1C1CCC1 250557175 572476608 /nfs/dbraw/zinc/47/66/08/572476608.db2.gz BLBICXVCJVOPLX-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CNCC[C@@H]1[NH2+]C1CC1 141415117 572478955 /nfs/dbraw/zinc/47/89/55/572478955.db2.gz OSUUPRKVGLPDBB-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO CCC[NH2+][C@H](C)CNCC(C)C 53493439 572476739 /nfs/dbraw/zinc/47/67/39/572476739.db2.gz CWZQNHJOVMMLAV-SNVBAGLBSA-N 1 3 172.316 1.620 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@H]1C1CCCC1 250559181 572476778 /nfs/dbraw/zinc/47/67/78/572476778.db2.gz BWTKOFPUHXBHIT-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@H]1C1CCCC1 250559181 572476780 /nfs/dbraw/zinc/47/67/80/572476780.db2.gz BWTKOFPUHXBHIT-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@H]1C1CCCC1 250559181 572476784 /nfs/dbraw/zinc/47/67/84/572476784.db2.gz BWTKOFPUHXBHIT-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C)CCS[C@H]1CC[C@@H]([NH3+])C1 87417494 572476812 /nfs/dbraw/zinc/47/68/12/572476812.db2.gz LNZBBAOEULFGDX-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@H]1CCC1CC1 250569053 572479505 /nfs/dbraw/zinc/47/95/05/572479505.db2.gz DQFRSXCFHFSACP-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)SCCN(C)C 87417489 572476949 /nfs/dbraw/zinc/47/69/49/572476949.db2.gz JHHABYOKNJHSDR-IUCAKERBSA-N 1 3 190.356 1.407 10 0 ADAEHO C[NH2+]C[C@H](C)CSCCN(C)C 87417155 572477048 /nfs/dbraw/zinc/47/70/48/572477048.db2.gz BGJNIJPCKXCUEO-VIFPVBQESA-N 1 3 190.356 1.137 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)SCCN(C)C 87417625 572477217 /nfs/dbraw/zinc/47/72/17/572477217.db2.gz SCUQFRFPJNXJIM-YUMQZZPRSA-N 1 3 176.329 1.017 10 0 ADAEHO NC1=N[C@@H]2CC[C@H](CC[NH3+])C[C@@H]2S1 527013532 572477263 /nfs/dbraw/zinc/47/72/63/572477263.db2.gz ATZWZTACSWGFEG-PRJMDXOYSA-N 1 3 199.323 1.144 10 0 ADAEHO CN(C)CCS[C@H]1CCC[C@@H]1[NH3+] 87417558 572477360 /nfs/dbraw/zinc/47/73/60/572477360.db2.gz KRSYGTATASPXOE-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)SCCN(C)C 87417623 572477427 /nfs/dbraw/zinc/47/74/27/572477427.db2.gz SCUQFRFPJNXJIM-JGVFFNPUSA-N 1 3 176.329 1.017 10 0 ADAEHO CN(C)CCSCC[NH2+]C1CC1 87417157 572477455 /nfs/dbraw/zinc/47/74/55/572477455.db2.gz GKKDQWHXFYXKKA-UHFFFAOYSA-N 1 3 188.340 1.033 10 0 ADAEHO C[C@@H]([NH3+])CCCSCCN(C)C 87417542 572477514 /nfs/dbraw/zinc/47/75/14/572477514.db2.gz ACVASCSRJREISO-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](C)SCCN(C)C 87417624 572477528 /nfs/dbraw/zinc/47/75/28/572477528.db2.gz SCUQFRFPJNXJIM-HTQZYQBOSA-N 1 3 176.329 1.017 10 0 ADAEHO CC[C@H](CSCCN(C)C)[NH2+]C 87417400 572477612 /nfs/dbraw/zinc/47/76/12/572477612.db2.gz FFUBTADGANPHJD-SECBINFHSA-N 1 3 190.356 1.279 10 0 ADAEHO CN(C)CCS[C@@H]1CC[C@@H]([NH3+])C1 87417493 572477637 /nfs/dbraw/zinc/47/76/37/572477637.db2.gz LNZBBAOEULFGDX-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CN1C[C@H]2C[NH2+]C3(CCCCC3)[C@H]2C1 250580087 572477668 /nfs/dbraw/zinc/47/76/68/572477668.db2.gz FWKSMHOKUFITHE-MNOVXSKESA-N 1 3 194.322 1.470 10 0 ADAEHO CC[NH2+][C@@H](C)CSCCN(C)C 87417543 572477695 /nfs/dbraw/zinc/47/76/95/572477695.db2.gz IQKYBJHCNSBVCB-VIFPVBQESA-N 1 3 190.356 1.279 10 0 ADAEHO CC[NH2+][C@H](C)CSCCN(C)C 87417544 572477748 /nfs/dbraw/zinc/47/77/48/572477748.db2.gz IQKYBJHCNSBVCB-SECBINFHSA-N 1 3 190.356 1.279 10 0 ADAEHO CN(C)CCS[C@@H]1CC[C@H]([NH3+])C1 87417491 572477776 /nfs/dbraw/zinc/47/77/76/572477776.db2.gz LNZBBAOEULFGDX-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@]1(C)CNCC[C@H]1[NH2+]C1CC1 141409297 572477809 /nfs/dbraw/zinc/47/78/09/572477809.db2.gz SMIRTKHVMVGXDQ-MNOVXSKESA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@]1(C)C[NH2+]CC[C@H]1NC1CC1 141409297 572477814 /nfs/dbraw/zinc/47/78/14/572477814.db2.gz SMIRTKHVMVGXDQ-MNOVXSKESA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H]([NH3+])CSCCN(C)C 87417561 572477878 /nfs/dbraw/zinc/47/78/78/572477878.db2.gz HJKZXKUCHNOAQF-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CC[C@@H](C)NC[C@@H](C)[NH2+]C(C)C 53493560 572477912 /nfs/dbraw/zinc/47/79/12/572477912.db2.gz AVZLMHVSGYHAFZ-NXEZZACHSA-N 1 3 172.316 1.761 10 0 ADAEHO C[C@H](SCCN(C)C)[C@@H](C)[NH3+] 87417626 572477953 /nfs/dbraw/zinc/47/79/53/572477953.db2.gz SCUQFRFPJNXJIM-SFYZADRCSA-N 1 3 176.329 1.017 10 0 ADAEHO CC[C@@H]([NH3+])[C@H](C)SCCN(C)C 87417425 572478029 /nfs/dbraw/zinc/47/80/29/572478029.db2.gz UGEZBFJIYDJWMA-DTWKUNHWSA-N 1 3 190.356 1.407 10 0 ADAEHO C[NH2+]C[C@@H](C)CSCCN(C)C 87417156 572478277 /nfs/dbraw/zinc/47/82/77/572478277.db2.gz BGJNIJPCKXCUEO-SECBINFHSA-N 1 3 190.356 1.137 10 0 ADAEHO CC[C@]1(C)CNCC[C@@H]1[NH2+]C1CC1 141409102 572478297 /nfs/dbraw/zinc/47/82/97/572478297.db2.gz SMIRTKHVMVGXDQ-WDEREUQCSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@]1(C)C[NH2+]CC[C@@H]1NC1CC1 141409102 572478301 /nfs/dbraw/zinc/47/83/01/572478301.db2.gz SMIRTKHVMVGXDQ-WDEREUQCSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)SCCN(C)C 87417487 572478381 /nfs/dbraw/zinc/47/83/81/572478381.db2.gz JHHABYOKNJHSDR-DTWKUNHWSA-N 1 3 190.356 1.407 10 0 ADAEHO CC[C@@H]([NH3+])[C@@H](C)SCCN(C)C 87417423 572478571 /nfs/dbraw/zinc/47/85/71/572478571.db2.gz UGEZBFJIYDJWMA-RKDXNWHRSA-N 1 3 190.356 1.407 10 0 ADAEHO CN(C)CCSC[C@@H]([NH3+])C1CC1 87417536 572478608 /nfs/dbraw/zinc/47/86/08/572478608.db2.gz FIHHQMAVEMSHAT-SECBINFHSA-N 1 3 188.340 1.019 10 0 ADAEHO CC[C@]1(C)CNCC[C@H]1[NH2+]C1CC1 141409479 572478654 /nfs/dbraw/zinc/47/86/54/572478654.db2.gz SMIRTKHVMVGXDQ-GHMZBOCLSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@]1(C)C[NH2+]CC[C@H]1NC1CC1 141409479 572478658 /nfs/dbraw/zinc/47/86/58/572478658.db2.gz SMIRTKHVMVGXDQ-GHMZBOCLSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)SCCN(C)C 87417488 572478660 /nfs/dbraw/zinc/47/86/60/572478660.db2.gz JHHABYOKNJHSDR-RKDXNWHRSA-N 1 3 190.356 1.407 10 0 ADAEHO CN(C)CCS[C@H]1CC[C@H]([NH3+])C1 87417492 572478750 /nfs/dbraw/zinc/47/87/50/572478750.db2.gz LNZBBAOEULFGDX-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H]1C[NH2+]CC[C@@H]1NC1CC1 141415117 572478960 /nfs/dbraw/zinc/47/89/60/572478960.db2.gz OSUUPRKVGLPDBB-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@@H](C)CCN1CCC([NH3+])CC1 238263122 572479012 /nfs/dbraw/zinc/47/90/12/572479012.db2.gz ICZLHMSGLUFSCH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)CC[NH+]1CCC(N)CC1 238263122 572479013 /nfs/dbraw/zinc/47/90/13/572479013.db2.gz ICZLHMSGLUFSCH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CN(C)CCS[C@@H]1CCC[C@@H]1[NH3+] 87417557 572479066 /nfs/dbraw/zinc/47/90/66/572479066.db2.gz KRSYGTATASPXOE-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[NH2+]CCCSCCN(C)C 87417134 572479087 /nfs/dbraw/zinc/47/90/87/572479087.db2.gz IVADEXADIRFRSZ-UHFFFAOYSA-N 1 3 190.356 1.281 10 0 ADAEHO C[N@@H+]1C[C@H](CN)C[C@H]1C1CCCCC1 250564873 572479145 /nfs/dbraw/zinc/47/91/45/572479145.db2.gz DCTKSSXRCUONNN-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@H](CN)C[C@H]1C1CCCCC1 250564873 572479149 /nfs/dbraw/zinc/47/91/49/572479149.db2.gz DCTKSSXRCUONNN-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+][C@H](C)[C@H](C)SCCN(C)C 87417435 572479154 /nfs/dbraw/zinc/47/91/54/572479154.db2.gz QTJOMWZCHUMXSI-BDAKNGLRSA-N 1 3 190.356 1.278 10 0 ADAEHO CC(C)[NH2+]CCSCCN(C)C 87417141 572479223 /nfs/dbraw/zinc/47/92/23/572479223.db2.gz NAQZEDRCOFNQHG-UHFFFAOYSA-N 1 3 190.356 1.279 10 0 ADAEHO C[NH2+][C@@H](C)[C@@H](C)SCCN(C)C 87417432 572479241 /nfs/dbraw/zinc/47/92/41/572479241.db2.gz QTJOMWZCHUMXSI-DTWKUNHWSA-N 1 3 190.356 1.278 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1CCC1CC1 250569053 572479502 /nfs/dbraw/zinc/47/95/02/572479502.db2.gz DQFRSXCFHFSACP-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H]1CNCC[C@H]1[NH2+]C1CC1 141415687 572479521 /nfs/dbraw/zinc/47/95/21/572479521.db2.gz OSUUPRKVGLPDBB-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H]1C[NH2+]CC[C@H]1NC1CC1 141415687 572479525 /nfs/dbraw/zinc/47/95/25/572479525.db2.gz OSUUPRKVGLPDBB-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H]1CNCC[C@@H]1[NH2+]C1CC1 141415318 572479567 /nfs/dbraw/zinc/47/95/67/572479567.db2.gz OSUUPRKVGLPDBB-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@H]1CCC1CC1 250569047 572479573 /nfs/dbraw/zinc/47/95/73/572479573.db2.gz DQFRSXCFHFSACP-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@H]1CCC1CC1 250569047 572479575 /nfs/dbraw/zinc/47/95/75/572479575.db2.gz DQFRSXCFHFSACP-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H]1C[NH2+]CC[C@@H]1NC1CC1 141415318 572479578 /nfs/dbraw/zinc/47/95/78/572479578.db2.gz OSUUPRKVGLPDBB-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@@H]2CCCC[C@H]21 250563125 572479600 /nfs/dbraw/zinc/47/96/00/572479600.db2.gz CVICGXHRIMWHDF-GARJFASQSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 400354038 572479678 /nfs/dbraw/zinc/47/96/78/572479678.db2.gz NVRGFOSOMMKRBW-DLOVCJGASA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CC1 400354038 572479683 /nfs/dbraw/zinc/47/96/83/572479683.db2.gz NVRGFOSOMMKRBW-DLOVCJGASA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 400354039 572479721 /nfs/dbraw/zinc/47/97/21/572479721.db2.gz NVRGFOSOMMKRBW-USWWRNFRSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CC1 400354039 572479726 /nfs/dbraw/zinc/47/97/26/572479726.db2.gz NVRGFOSOMMKRBW-USWWRNFRSA-N 1 3 196.338 1.905 10 0 ADAEHO CN1C[C@@H](CC[NH3+])C[C@H]1c1ccco1 250569160 572479961 /nfs/dbraw/zinc/47/99/61/572479961.db2.gz DQWHPEOZENEALA-UWVGGRQHSA-N 1 3 194.278 1.621 10 0 ADAEHO CC[C@@]1(C)CNCC[C@@H]1[NH2+]C1CC1 141408923 572480131 /nfs/dbraw/zinc/48/01/31/572480131.db2.gz SMIRTKHVMVGXDQ-QWRGUYRKSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@]1(C)C[NH2+]CC[C@@H]1NC1CC1 141408923 572480137 /nfs/dbraw/zinc/48/01/37/572480137.db2.gz SMIRTKHVMVGXDQ-QWRGUYRKSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H]1CNCC[C@H]1[NH2+]C1CC1 141415489 572480150 /nfs/dbraw/zinc/48/01/50/572480150.db2.gz OSUUPRKVGLPDBB-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@@H]1C[NH2+]CC[C@H]1NC1CC1 141415489 572480153 /nfs/dbraw/zinc/48/01/53/572480153.db2.gz OSUUPRKVGLPDBB-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 400354040 572480212 /nfs/dbraw/zinc/48/02/12/572480212.db2.gz NVRGFOSOMMKRBW-ZMLRMANQSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CC1 400354040 572480216 /nfs/dbraw/zinc/48/02/16/572480216.db2.gz NVRGFOSOMMKRBW-ZMLRMANQSA-N 1 3 196.338 1.905 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@@H](C2CCCC2)C1 250573026 572480360 /nfs/dbraw/zinc/48/03/60/572480360.db2.gz FCQHBAXDLNTRRG-WDEREUQCSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@@H](C2CCCC2)C1 250573026 572480363 /nfs/dbraw/zinc/48/03/63/572480363.db2.gz FCQHBAXDLNTRRG-WDEREUQCSA-N 1 3 182.311 1.313 10 0 ADAEHO CC[C@@H](C)CC[N@@H+]1CC[C@@H](CN)C1 238263167 572480604 /nfs/dbraw/zinc/48/06/04/572480604.db2.gz XOYVMXOPKDYGSQ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](C)CC[N@H+]1CC[C@@H](CN)C1 238263167 572480609 /nfs/dbraw/zinc/48/06/09/572480609.db2.gz XOYVMXOPKDYGSQ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)C[C@H]1C1CCCCC1 250564875 572480641 /nfs/dbraw/zinc/48/06/41/572480641.db2.gz DCTKSSXRCUONNN-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@@H](CN)C[C@H]1C1CCCCC1 250564875 572480646 /nfs/dbraw/zinc/48/06/46/572480646.db2.gz DCTKSSXRCUONNN-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@H]2CCCC[C@H]21 250563128 572480686 /nfs/dbraw/zinc/48/06/86/572480686.db2.gz CVICGXHRIMWHDF-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@H](N)[C@H](C2CCCCC2)C1 250572834 572480951 /nfs/dbraw/zinc/48/09/51/572480951.db2.gz FBCKDUCZBBCBMU-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](N)[C@H](C2CCCCC2)C1 250572834 572480956 /nfs/dbraw/zinc/48/09/56/572480956.db2.gz FBCKDUCZBBCBMU-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCCC[C@@H]2CC[C@@H]([NH3+])C[C@H]21 250576141 572481527 /nfs/dbraw/zinc/48/15/27/572481527.db2.gz FLDNZJZBUNXNIB-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CCCC[C@H]([C@@H]([NH3+])C2CC2)C1 250628906 572481606 /nfs/dbraw/zinc/48/16/06/572481606.db2.gz QRHFYMLLGIRTRG-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1[C@H](CN)c1ccco1 250561898 572481733 /nfs/dbraw/zinc/48/17/33/572481733.db2.gz CQZNZZGUUQXBOF-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@H+]1CCC[C@@H]1[C@H](CN)c1ccco1 250561898 572481738 /nfs/dbraw/zinc/48/17/38/572481738.db2.gz CQZNZZGUUQXBOF-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO CN1CCC[C@@H]1[C@H](C[NH3+])c1ccco1 250561898 572481742 /nfs/dbraw/zinc/48/17/42/572481742.db2.gz CQZNZZGUUQXBOF-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO CN1CCCC[C@@H]([C@@H]([NH3+])C2CC2)C1 250628902 572481793 /nfs/dbraw/zinc/48/17/93/572481793.db2.gz QRHFYMLLGIRTRG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CC[C@@H](C2CCCC2)[C@@H](C[NH3+])C1 250579196 572481873 /nfs/dbraw/zinc/48/18/73/572481873.db2.gz FSUSTMZWPMMRDK-RYUDHWBXSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1CCCC[C@@H]2CC[C@H]([NH3+])C[C@H]21 250576148 572482296 /nfs/dbraw/zinc/48/22/96/572482296.db2.gz FLDNZJZBUNXNIB-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+]1CCC[C@@]12CCC[C@@H](N)C2 250565252 572482490 /nfs/dbraw/zinc/48/24/90/572482490.db2.gz DDFUAQVXQGCYLS-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1CCC[C@@]12CCC[C@@H](N)C2 250565252 572482492 /nfs/dbraw/zinc/48/24/92/572482492.db2.gz DDFUAQVXQGCYLS-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO CN1C[C@H](CC[NH3+])C[C@H]1c1ccco1 250569163 572482509 /nfs/dbraw/zinc/48/25/09/572482509.db2.gz DQWHPEOZENEALA-ZJUUUORDSA-N 1 3 194.278 1.621 10 0 ADAEHO CN1CC[C@H](C2CCCC2)[C@@H](C[NH3+])C1 250579194 572482758 /nfs/dbraw/zinc/48/27/58/572482758.db2.gz FSUSTMZWPMMRDK-NWDGAFQWSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1CCCC[C@@H]2CC[C@H]([NH3+])C[C@@H]21 250576152 572483443 /nfs/dbraw/zinc/48/34/43/572483443.db2.gz FLDNZJZBUNXNIB-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@@H]2CCCC[C@@H]21 250563111 572483495 /nfs/dbraw/zinc/48/34/95/572483495.db2.gz CVICGXHRIMWHDF-DCAQKATOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CCC[C@]12CCC[C@@H](N)C2 250565254 572483653 /nfs/dbraw/zinc/48/36/53/572483653.db2.gz DDFUAQVXQGCYLS-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1CCC[C@]12CCC[C@@H](N)C2 250565254 572483659 /nfs/dbraw/zinc/48/36/59/572483659.db2.gz DDFUAQVXQGCYLS-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[N@@H+]1CC[C@H](C)N[C@@H](C)C1 250356008 572484841 /nfs/dbraw/zinc/48/48/41/572484841.db2.gz SENKXQDWHMAQRE-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CCNCc1ccc(C[NH2+]CC)o1 238263532 572484034 /nfs/dbraw/zinc/48/40/34/572484034.db2.gz BJFCPZXEZAZIAR-UHFFFAOYSA-N 1 3 182.267 1.499 10 0 ADAEHO CN1CCCC[C@@H]2C[C@H]([NH3+])C[C@H]21 250585064 572484037 /nfs/dbraw/zinc/48/40/37/572484037.db2.gz GMCTYWJLXGPXGV-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@H]1CC1CC1 250582351 572484168 /nfs/dbraw/zinc/48/41/68/572484168.db2.gz GFCYBQCFIFQVQS-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@H]1CC1CC1 250582351 572484171 /nfs/dbraw/zinc/48/41/71/572484171.db2.gz GFCYBQCFIFQVQS-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)[C@H]1CN(C)[C@@H]2CCC[C@H]2C[NH2+]1 250581537 572485196 /nfs/dbraw/zinc/48/51/96/572485196.db2.gz VOBYQMWAXKZAKH-QJPTWQEYSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[N@H+]1CC[C@H](C)N[C@@H](C)C1 250356008 572484845 /nfs/dbraw/zinc/48/48/45/572484845.db2.gz SENKXQDWHMAQRE-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CNC[C@H](C)C[N@H+]1C[C@H](C)CC[C@H]1C 84051308 572487748 /nfs/dbraw/zinc/48/77/48/572487748.db2.gz MVQLRNKLHQJOBY-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)[C@@H]2CCC[C@H]2CN1 250581537 572485186 /nfs/dbraw/zinc/48/51/86/572485186.db2.gz VOBYQMWAXKZAKH-QJPTWQEYSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)[C@@H]2CCC[C@H]2CN1 250581537 572485191 /nfs/dbraw/zinc/48/51/91/572485191.db2.gz VOBYQMWAXKZAKH-QJPTWQEYSA-N 1 3 196.338 1.715 10 0 ADAEHO CN1CCCC[C@@H]2C[C@H]([NH3+])C[C@@H]21 250585067 572485443 /nfs/dbraw/zinc/48/54/43/572485443.db2.gz GMCTYWJLXGPXGV-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO CN1CCC[C@@H]([C@@H]([NH3+])C2CCCC2)C1 250587626 572485663 /nfs/dbraw/zinc/48/56/63/572485663.db2.gz GXGALFKKIMXEIY-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1C[C@H](N)C[C@H](C2CCCCC2)C1 250586916 572485798 /nfs/dbraw/zinc/48/57/98/572485798.db2.gz GUCXUVMGIQHDNM-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@H](N)C[C@H](C2CCCCC2)C1 250586916 572485805 /nfs/dbraw/zinc/48/58/05/572485805.db2.gz GUCXUVMGIQHDNM-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCC[C@@H]([C@@]2([NH3+])C[C@@H]3C[C@@H]3C2)C1 250582034 572485887 /nfs/dbraw/zinc/48/58/87/572485887.db2.gz GCPZKJDZEORMEW-KXNHARMFSA-N 1 3 194.322 1.456 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1C[C@@H](C)CC[C@@H]1C 84051301 572486368 /nfs/dbraw/zinc/48/63/68/572486368.db2.gz MVQLRNKLHQJOBY-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@@H]1C 84051301 572486373 /nfs/dbraw/zinc/48/63/73/572486373.db2.gz MVQLRNKLHQJOBY-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CN1CCC[C@@H]([C@@H]([NH3+])C2CCC2)C1 250594612 572486801 /nfs/dbraw/zinc/48/68/01/572486801.db2.gz IIJNVCYWKXIHHH-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1C[C@@H](C)CC[C@H]1C 84051311 572487133 /nfs/dbraw/zinc/48/71/33/572487133.db2.gz MVQLRNKLHQJOBY-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1C[C@@H](C)CC[C@H]1C 84051311 572487137 /nfs/dbraw/zinc/48/71/37/572487137.db2.gz MVQLRNKLHQJOBY-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CN1CCC[C@H]([C@@]2([NH3+])C[C@@H]3C[C@@H]3C2)C1 250582039 572487197 /nfs/dbraw/zinc/48/71/97/572487197.db2.gz GCPZKJDZEORMEW-WHOHXGKFSA-N 1 3 194.322 1.456 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@H]1c1ccccc1 250583179 572487282 /nfs/dbraw/zinc/48/72/82/572487282.db2.gz GGQJMVDBMIGLLO-JQWIXIFHSA-N 1 3 190.290 1.638 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1C[C@H](C)CC[C@@H]1C 84051299 572487413 /nfs/dbraw/zinc/48/74/13/572487413.db2.gz MVQLRNKLHQJOBY-WOPDTQHZSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1C[C@H](C)CC[C@@H]1C 84051299 572487417 /nfs/dbraw/zinc/48/74/17/572487417.db2.gz MVQLRNKLHQJOBY-WOPDTQHZSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)[C@H]2CCC[C@H]2CN1 250581541 572487448 /nfs/dbraw/zinc/48/74/48/572487448.db2.gz VOBYQMWAXKZAKH-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)[C@H]2CCC[C@H]2CN1 250581541 572487454 /nfs/dbraw/zinc/48/74/54/572487454.db2.gz VOBYQMWAXKZAKH-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1CN(C)[C@H]2CCC[C@H]2C[NH2+]1 250581541 572487457 /nfs/dbraw/zinc/48/74/57/572487457.db2.gz VOBYQMWAXKZAKH-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1CC1CC1 250582353 572487501 /nfs/dbraw/zinc/48/75/01/572487501.db2.gz GFCYBQCFIFQVQS-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@H]1CC1CC1 250582353 572487504 /nfs/dbraw/zinc/48/75/04/572487504.db2.gz GFCYBQCFIFQVQS-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1CCCC[C@]12CC[C@@H]([NH3+])C2 250591570 572487533 /nfs/dbraw/zinc/48/75/33/572487533.db2.gz HORQIPXRSLKWHJ-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1C[C@H](C2CCCCC2)C[C@@H](N)C1 250586921 572487735 /nfs/dbraw/zinc/48/77/35/572487735.db2.gz GUCXUVMGIQHDNM-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H](N)C1 250586921 572487740 /nfs/dbraw/zinc/48/77/40/572487740.db2.gz GUCXUVMGIQHDNM-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1C[C@H](C)CC[C@H]1C 84051308 572487745 /nfs/dbraw/zinc/48/77/45/572487745.db2.gz MVQLRNKLHQJOBY-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CN1CC[C@@H]1[C@H](C[NH3+])C1CCCCC1 250602666 572489398 /nfs/dbraw/zinc/48/93/98/572489398.db2.gz KNHDKPXKWVZIOB-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1C[C@@H](C[NH3+])C[C@H]1c1ccccc1 250583182 572487892 /nfs/dbraw/zinc/48/78/92/572487892.db2.gz GGQJMVDBMIGLLO-PWSUYJOCSA-N 1 3 190.290 1.638 10 0 ADAEHO CN1CCCC[C@@]12CC[C@@H]([NH3+])C2 250591572 572488090 /nfs/dbraw/zinc/48/80/90/572488090.db2.gz HORQIPXRSLKWHJ-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO CN1CCC[C@H]([C@@H]([NH3+])C2CCCC2)C1 250587631 572488099 /nfs/dbraw/zinc/48/80/99/572488099.db2.gz GXGALFKKIMXEIY-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCCC[C@@H]2C[C@@H]([NH3+])C[C@H]21 250585065 572488165 /nfs/dbraw/zinc/48/81/65/572488165.db2.gz GMCTYWJLXGPXGV-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@@H]2CCCCC[C@@H]2C1 250609971 572489493 /nfs/dbraw/zinc/48/94/93/572489493.db2.gz MIPJUTFTIVUPJX-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1[C@H](CN)C1CC1 250603084 572488962 /nfs/dbraw/zinc/48/89/62/572488962.db2.gz KOYLRLVJPITBOV-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCC[C@H]1[C@H](CN)C1CC1 250603084 572488966 /nfs/dbraw/zinc/48/89/66/572488966.db2.gz KOYLRLVJPITBOV-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1[C@H](CN)C1CCC1 250600991 572489191 /nfs/dbraw/zinc/48/91/91/572489191.db2.gz KBXLUILZZRFTAQ-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCC[C@@H]1[C@H](CN)C1CCC1 250600991 572489193 /nfs/dbraw/zinc/48/91/93/572489193.db2.gz KBXLUILZZRFTAQ-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCC[C@H]([C@]2([NH3+])C[C@H]2C2CC2)C1 250607145 572489559 /nfs/dbraw/zinc/48/95/59/572489559.db2.gz LOTXQVBFGFFDCM-SDDRHHMPSA-N 1 3 194.322 1.456 10 0 ADAEHO CN1CCC[C@H]([C@@]2([NH3+])C[C@@H]2C2CC2)C1 250607149 572489952 /nfs/dbraw/zinc/48/99/52/572489952.db2.gz LOTXQVBFGFFDCM-TUAOUCFPSA-N 1 3 194.322 1.456 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1[C@H](CN)C1CC1 250603081 572489997 /nfs/dbraw/zinc/48/99/97/572489997.db2.gz KOYLRLVJPITBOV-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1[C@H](CN)C1CC1 250603081 572490001 /nfs/dbraw/zinc/49/00/01/572490001.db2.gz KOYLRLVJPITBOV-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@@H](C2CCCCC2)C1 250597779 572490048 /nfs/dbraw/zinc/49/00/48/572490048.db2.gz JDHBDUFFIORUDK-NWDGAFQWSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@@H](C2CCCCC2)C1 250597779 572490054 /nfs/dbraw/zinc/49/00/54/572490054.db2.gz JDHBDUFFIORUDK-NWDGAFQWSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1C[C@H]2CC[NH2+][C@H]2C2(CCCC2)C1 250604618 572490412 /nfs/dbraw/zinc/49/04/12/572490412.db2.gz KXPCPHFSOTVZOZ-GHMZBOCLSA-N 1 3 194.322 1.470 10 0 ADAEHO CN1CCCC[C@]12CCC[C@H]2C[NH3+] 250600452 572490500 /nfs/dbraw/zinc/49/05/00/572490500.db2.gz JWOVRCYVCSLGGG-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO CN1CC[C@H]1[C@H](C[NH3+])C1CCCCC1 250602665 572490510 /nfs/dbraw/zinc/49/05/10/572490510.db2.gz KNHDKPXKWVZIOB-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@H]1CC1CCCC1 250599139 572490594 /nfs/dbraw/zinc/49/05/94/572490594.db2.gz JNKUJJRBNPKRCY-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@H]1CC1CCCC1 250599139 572490600 /nfs/dbraw/zinc/49/06/00/572490600.db2.gz JNKUJJRBNPKRCY-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCC[C@H]([C@@H]([NH3+])C2CCC2)C1 250594613 572490807 /nfs/dbraw/zinc/49/08/07/572490807.db2.gz IIJNVCYWKXIHHH-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)[C@@H](C2CCCCC2)C1 250597781 572490820 /nfs/dbraw/zinc/49/08/20/572490820.db2.gz JDHBDUFFIORUDK-VXGBXAGGSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@H+]1C[C@@H](CN)[C@@H](C2CCCCC2)C1 250597781 572490826 /nfs/dbraw/zinc/49/08/26/572490826.db2.gz JDHBDUFFIORUDK-VXGBXAGGSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1CCC[C@H]([C@@]2([NH3+])C[C@H]2C2CC2)C1 250607147 572491310 /nfs/dbraw/zinc/49/13/10/572491310.db2.gz LOTXQVBFGFFDCM-SRVKXCTJSA-N 1 3 194.322 1.456 10 0 ADAEHO C[N@@H+]1CCC[C@H]1[C@H](CN)C1CCC1 250600994 572491400 /nfs/dbraw/zinc/49/14/00/572491400.db2.gz KBXLUILZZRFTAQ-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCC[C@H]1[C@H](CN)C1CCC1 250600994 572491405 /nfs/dbraw/zinc/49/14/05/572491405.db2.gz KBXLUILZZRFTAQ-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@H](CN)CC[C@H]1C1CCCC1 250602478 572491522 /nfs/dbraw/zinc/49/15/22/572491522.db2.gz KLRYLGGBBNVUES-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@H](CN)CC[C@H]1C1CCCC1 250602478 572491527 /nfs/dbraw/zinc/49/15/27/572491527.db2.gz KLRYLGGBBNVUES-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H]2CCCN[C@H]2C1 250597441 572492078 /nfs/dbraw/zinc/49/20/78/572492078.db2.gz OWFYKZIEKRXLPP-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H]2CCCN[C@H]2C1 250597441 572492082 /nfs/dbraw/zinc/49/20/82/572492082.db2.gz OWFYKZIEKRXLPP-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@@H]2CCCCC[C@H]2C1 250609974 572492222 /nfs/dbraw/zinc/49/22/22/572492222.db2.gz MIPJUTFTIVUPJX-SDDRHHMPSA-N 1 3 196.338 1.703 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 250597438 572492350 /nfs/dbraw/zinc/49/23/50/572492350.db2.gz OWFYKZIEKRXLPP-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 250597438 572492354 /nfs/dbraw/zinc/49/23/54/572492354.db2.gz OWFYKZIEKRXLPP-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CN1CCC[C@]2(CCC[C@H]2[NH3+])C1 250607273 572492710 /nfs/dbraw/zinc/49/27/10/572492710.db2.gz LQIUZPJQJAOSCR-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1CC1CCCC1 250599138 572492868 /nfs/dbraw/zinc/49/28/68/572492868.db2.gz JNKUJJRBNPKRCY-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@H]1CC1CCCC1 250599138 572492870 /nfs/dbraw/zinc/49/28/70/572492870.db2.gz JNKUJJRBNPKRCY-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@H]1C1CCCCC1 250598647 572492950 /nfs/dbraw/zinc/49/29/50/572492950.db2.gz JKOBEYLTPOTZRD-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@H]1C1CCCCC1 250598647 572492953 /nfs/dbraw/zinc/49/29/53/572492953.db2.gz JKOBEYLTPOTZRD-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@H]1C1CCCCC1 250598647 572492956 /nfs/dbraw/zinc/49/29/56/572492956.db2.gz JKOBEYLTPOTZRD-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)CC[C@H]1C1CCCC1 250602479 572492964 /nfs/dbraw/zinc/49/29/64/572492964.db2.gz KLRYLGGBBNVUES-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@@H](CN)CC[C@H]1C1CCCC1 250602479 572492967 /nfs/dbraw/zinc/49/29/67/572492967.db2.gz KLRYLGGBBNVUES-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H](C2CCC2)CC1 250599142 572493026 /nfs/dbraw/zinc/49/30/26/572493026.db2.gz JNLVEXQDHPXBHS-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@H]2CCCCC[C@H]2C1 250609976 572493682 /nfs/dbraw/zinc/49/36/82/572493682.db2.gz MIPJUTFTIVUPJX-SRVKXCTJSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@H](C2CCC2)CC1 250599143 572493398 /nfs/dbraw/zinc/49/33/98/572493398.db2.gz JNLVEXQDHPXBHS-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCCC[C@@]12CCC[C@H]2C[NH3+] 250600451 572493925 /nfs/dbraw/zinc/49/39/25/572493925.db2.gz JWOVRCYVCSLGGG-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CN1CCC[C@@]2(CCC[C@H]2[NH3+])C1 250607276 572494293 /nfs/dbraw/zinc/49/42/93/572494293.db2.gz LQIUZPJQJAOSCR-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO CN1CC[C@@H]1[C@H](C[NH3+])C1CCCC1 250596510 572494302 /nfs/dbraw/zinc/49/43/02/572494302.db2.gz IVQPKNGNZKAAFA-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CC[C@H]1[C@H](C[NH3+])C1CCCC1 250596513 572494341 /nfs/dbraw/zinc/49/43/41/572494341.db2.gz IVQPKNGNZKAAFA-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCCC[C@@H]1[C@H](CN)C1CC1 250623829 572496391 /nfs/dbraw/zinc/49/63/91/572496391.db2.gz PSHWTQODIMLSJS-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@H]1C1CCCCC1 250625238 572494930 /nfs/dbraw/zinc/49/49/30/572494930.db2.gz QAHHBJRKRFENLS-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC(C)(C)CN1CC([C@H](C)[NH3+])C1 713264304 572494955 /nfs/dbraw/zinc/49/49/55/572494955.db2.gz DMZDLGMNFNMSNV-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO CN1CCC[C@@H]([NH3+])[C@@H](c2ccco2)C1 250613313 572494965 /nfs/dbraw/zinc/49/49/65/572494965.db2.gz NHKJUJUSGCPESZ-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@@H+]1CCC[C@@H](N)[C@@H](c2ccco2)C1 250613313 572494967 /nfs/dbraw/zinc/49/49/67/572494967.db2.gz NHKJUJUSGCPESZ-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@H+]1CCC[C@@H](N)[C@@H](c2ccco2)C1 250613313 572494972 /nfs/dbraw/zinc/49/49/72/572494972.db2.gz NHKJUJUSGCPESZ-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@@H+]1C[C@H](CN)C[C@H]1CC1CCC1 250616012 572497408 /nfs/dbraw/zinc/49/74/08/572497408.db2.gz NXHHIEUFWAYGCS-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC(C)(C)CN1CC([C@@H](C)[NH3+])C1 713264303 572495132 /nfs/dbraw/zinc/49/51/32/572495132.db2.gz DMZDLGMNFNMSNV-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+]1C[C@H](CN)C[C@H]1CC1CCCC1 250623947 572495138 /nfs/dbraw/zinc/49/51/38/572495138.db2.gz PUCVIHONZJWWPE-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@H](CN)C[C@H]1CC1CCCC1 250623947 572495141 /nfs/dbraw/zinc/49/51/41/572495141.db2.gz PUCVIHONZJWWPE-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CC[C@@H](C2CCCC2)[C@H]1CCN 250614641 572495197 /nfs/dbraw/zinc/49/51/97/572495197.db2.gz NPSIRYKXKHUUFQ-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@@H](C2CCCC2)[C@H]1CCN 250614641 572495198 /nfs/dbraw/zinc/49/51/98/572495198.db2.gz NPSIRYKXKHUUFQ-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@H](CN)C[C@H]1CC1CCC1 250616012 572497410 /nfs/dbraw/zinc/49/74/10/572497410.db2.gz NXHHIEUFWAYGCS-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@H](N)C[C@H](C2CCCC2)C1 250619397 572495377 /nfs/dbraw/zinc/49/53/77/572495377.db2.gz OWDYNZAGDPEVQS-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](N)C[C@H](C2CCCC2)C1 250619397 572495381 /nfs/dbraw/zinc/49/53/81/572495381.db2.gz OWDYNZAGDPEVQS-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](C2CCCC2)C[C@@H](N)C1 250619394 572495398 /nfs/dbraw/zinc/49/53/98/572495398.db2.gz OWDYNZAGDPEVQS-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@H](C2CCCC2)C[C@@H](N)C1 250619394 572495401 /nfs/dbraw/zinc/49/54/01/572495401.db2.gz OWDYNZAGDPEVQS-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CC[C@H]([C@@H](N)Cc2ccco2)C1 250617615 572496443 /nfs/dbraw/zinc/49/64/43/572496443.db2.gz OJYWJPOTSBGDHA-ONGXEEELSA-N 1 3 194.278 1.101 10 0 ADAEHO C=C/C=C/CCN1CCC[C@H]1C[NH3+] 713716862 572495641 /nfs/dbraw/zinc/49/56/41/572495641.db2.gz MCZYRSFANURNKJ-UFFNRZRYSA-N 1 3 180.295 1.542 10 0 ADAEHO C[NH+](C)CCC[C@@H](N)c1ccccn1 74247544 572495683 /nfs/dbraw/zinc/49/56/83/572495683.db2.gz WNNMZGCSABFNIS-SNVBAGLBSA-N 1 3 193.294 1.423 10 0 ADAEHO C[N@@H+]1CCC[C@H](N)[C@@H](C2CCCC2)C1 250627877 572495844 /nfs/dbraw/zinc/49/58/44/572495844.db2.gz QOBOECBQIYRCLU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCC[C@H](N)[C@@H](C2CCCC2)C1 250627877 572495850 /nfs/dbraw/zinc/49/58/50/572495850.db2.gz QOBOECBQIYRCLU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCC[C@H]([NH3+])[C@@H](C2CCCC2)C1 250627877 572495856 /nfs/dbraw/zinc/49/58/56/572495856.db2.gz QOBOECBQIYRCLU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CC[C@H]([C@@H](N)c2ccncc2)C1 250627270 572495891 /nfs/dbraw/zinc/49/58/91/572495891.db2.gz QLIIEAAEZPWQMQ-QWRGUYRKSA-N 1 3 191.278 1.033 10 0 ADAEHO C[N@H+]1CC[C@H]([C@@H](N)c2ccncc2)C1 250627270 572495895 /nfs/dbraw/zinc/49/58/95/572495895.db2.gz QLIIEAAEZPWQMQ-QWRGUYRKSA-N 1 3 191.278 1.033 10 0 ADAEHO CN1CC[C@H]([C@@H]([NH3+])c2ccncc2)C1 250627270 572495901 /nfs/dbraw/zinc/49/59/01/572495901.db2.gz QLIIEAAEZPWQMQ-QWRGUYRKSA-N 1 3 191.278 1.033 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)C[C@H]1CC1CCCC1 250623950 572496126 /nfs/dbraw/zinc/49/61/26/572496126.db2.gz PUCVIHONZJWWPE-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1C[C@@H](CN)C[C@H]1CC1CCCC1 250623950 572496129 /nfs/dbraw/zinc/49/61/29/572496129.db2.gz PUCVIHONZJWWPE-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCCC[C@@H]([C@@H]([NH3+])C2CCC2)C1 250622643 572496251 /nfs/dbraw/zinc/49/62/51/572496251.db2.gz PNLPELLMNRUQRE-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCC[C@@]2(CCCC[C@H]2[NH3+])C1 250622610 572496311 /nfs/dbraw/zinc/49/63/11/572496311.db2.gz PNCYKSNEYSARIK-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H](C2CCCCC2)C1 250620485 572496321 /nfs/dbraw/zinc/49/63/21/572496321.db2.gz PDQMIYLMUVCVPE-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CCCCC[C@@H]1[C@H](CN)C1CC1 250623829 572496387 /nfs/dbraw/zinc/49/63/87/572496387.db2.gz PSHWTQODIMLSJS-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CC[C@H]([C@@H]([NH3+])Cc2ccco2)C1 250617615 572496436 /nfs/dbraw/zinc/49/64/36/572496436.db2.gz OJYWJPOTSBGDHA-ONGXEEELSA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@@H+]1CC[C@H]([C@@H](N)Cc2ccco2)C1 250617615 572496439 /nfs/dbraw/zinc/49/64/39/572496439.db2.gz OJYWJPOTSBGDHA-ONGXEEELSA-N 1 3 194.278 1.101 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@H]1C1CCCCC1 250625239 572496634 /nfs/dbraw/zinc/49/66/34/572496634.db2.gz QAHHBJRKRFENLS-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCCCC[C@H]21 250620390 572496648 /nfs/dbraw/zinc/49/66/48/572496648.db2.gz PBYTVHXSXDJCIY-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@H]2CCCCC[C@H]21 250620390 572496652 /nfs/dbraw/zinc/49/66/52/572496652.db2.gz PBYTVHXSXDJCIY-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@H]1C(C)C 84127176 572496755 /nfs/dbraw/zinc/49/67/55/572496755.db2.gz KAFNFBKUPBUUHR-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@H]1C(C)C 84127176 572496758 /nfs/dbraw/zinc/49/67/58/572496758.db2.gz KAFNFBKUPBUUHR-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CN1CCC[C@H]([NH3+])[C@@H](c2ccco2)C1 250613312 572496856 /nfs/dbraw/zinc/49/68/56/572496856.db2.gz NHKJUJUSGCPESZ-UWVGGRQHSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@@H+]1CCC[C@H](N)[C@@H](c2ccco2)C1 250613312 572496860 /nfs/dbraw/zinc/49/68/60/572496860.db2.gz NHKJUJUSGCPESZ-UWVGGRQHSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@H+]1CCC[C@H](N)[C@@H](c2ccco2)C1 250613312 572496863 /nfs/dbraw/zinc/49/68/63/572496863.db2.gz NHKJUJUSGCPESZ-UWVGGRQHSA-N 1 3 194.278 1.416 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])Cc2ccco2)C1 250617612 572497022 /nfs/dbraw/zinc/49/70/22/572497022.db2.gz OJYWJPOTSBGDHA-KOLCDFICSA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@@H+]1CC[C@@H]([C@@H](N)Cc2ccco2)C1 250617612 572497024 /nfs/dbraw/zinc/49/70/24/572497024.db2.gz OJYWJPOTSBGDHA-KOLCDFICSA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@H+]1CC[C@@H]([C@@H](N)Cc2ccco2)C1 250617612 572497029 /nfs/dbraw/zinc/49/70/29/572497029.db2.gz OJYWJPOTSBGDHA-KOLCDFICSA-N 1 3 194.278 1.101 10 0 ADAEHO CN1C[C@H]([NH3+])C[C@H]1C1CCCCC1 250618097 572497144 /nfs/dbraw/zinc/49/71/44/572497144.db2.gz ONNRAOWYDKXMAT-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)C[C@H]1CC1CCC1 250616011 572497329 /nfs/dbraw/zinc/49/73/29/572497329.db2.gz NXHHIEUFWAYGCS-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@@H](CN)C[C@H]1CC1CCC1 250616011 572497334 /nfs/dbraw/zinc/49/73/34/572497334.db2.gz NXHHIEUFWAYGCS-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCCC[C@H]([C@@H]([NH3+])C2CCC2)C1 250622646 572497432 /nfs/dbraw/zinc/49/74/32/572497432.db2.gz PNLPELLMNRUQRE-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCCCC[C@H]21 250620389 572497539 /nfs/dbraw/zinc/49/75/39/572497539.db2.gz PBYTVHXSXDJCIY-GARJFASQSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCCCC[C@H]21 250620389 572497544 /nfs/dbraw/zinc/49/75/44/572497544.db2.gz PBYTVHXSXDJCIY-GARJFASQSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CCC[C@@H](N)[C@@H](C2CCCC2)C1 250627880 572497688 /nfs/dbraw/zinc/49/76/88/572497688.db2.gz QOBOECBQIYRCLU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCC[C@@H](N)[C@@H](C2CCCC2)C1 250627880 572497692 /nfs/dbraw/zinc/49/76/92/572497692.db2.gz QOBOECBQIYRCLU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCC[C@@H]([NH3+])[C@@H](C2CCCC2)C1 250627880 572497699 /nfs/dbraw/zinc/49/76/99/572497699.db2.gz QOBOECBQIYRCLU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C[C@@H]1CCCCN1)[NH2+]C 238271206 572498025 /nfs/dbraw/zinc/49/80/25/572498025.db2.gz NAVKRCMSHOBODN-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCCCC[C@@H]21 250620388 572498477 /nfs/dbraw/zinc/49/84/77/572498477.db2.gz PBYTVHXSXDJCIY-DCAQKATOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCCCC[C@@H]21 250620388 572498484 /nfs/dbraw/zinc/49/84/84/572498484.db2.gz PBYTVHXSXDJCIY-DCAQKATOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CC[C@H](C2CCCC2)[C@H]1CCN 250614642 572499031 /nfs/dbraw/zinc/49/90/31/572499031.db2.gz NPSIRYKXKHUUFQ-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@H](C2CCCC2)[C@H]1CCN 250614642 572499033 /nfs/dbraw/zinc/49/90/33/572499033.db2.gz NPSIRYKXKHUUFQ-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CC[C@@H]([C@@H](N)c2ccncc2)C1 250627267 572499193 /nfs/dbraw/zinc/49/91/93/572499193.db2.gz QLIIEAAEZPWQMQ-MNOVXSKESA-N 1 3 191.278 1.033 10 0 ADAEHO C[N@H+]1CC[C@@H]([C@@H](N)c2ccncc2)C1 250627267 572499196 /nfs/dbraw/zinc/49/91/96/572499196.db2.gz QLIIEAAEZPWQMQ-MNOVXSKESA-N 1 3 191.278 1.033 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])c2ccncc2)C1 250627267 572499200 /nfs/dbraw/zinc/49/92/00/572499200.db2.gz QLIIEAAEZPWQMQ-MNOVXSKESA-N 1 3 191.278 1.033 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@H]1C1CCCCC1 250636072 572500809 /nfs/dbraw/zinc/50/08/09/572500809.db2.gz SAYSCHPGWGNMRH-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CCCCC[C@H]1[C@H](CN)C1CC1 250623826 572499441 /nfs/dbraw/zinc/49/94/41/572499441.db2.gz PSHWTQODIMLSJS-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCCCC[C@H]1[C@H](CN)C1CC1 250623826 572499444 /nfs/dbraw/zinc/49/94/44/572499444.db2.gz PSHWTQODIMLSJS-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCC[C@]2(CCCC[C@H]2[NH3+])C1 250622607 572500000 /nfs/dbraw/zinc/50/00/00/572500000.db2.gz PNCYKSNEYSARIK-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](C2CCCCC2)C1 250620487 572500261 /nfs/dbraw/zinc/50/02/61/572500261.db2.gz PDQMIYLMUVCVPE-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1C[C@@H]([NH3+])C[C@H]1C1CCCCC1 250618098 572500351 /nfs/dbraw/zinc/50/03/51/572500351.db2.gz ONNRAOWYDKXMAT-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@H]1C1CCCCC1 250636072 572500814 /nfs/dbraw/zinc/50/08/14/572500814.db2.gz SAYSCHPGWGNMRH-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1C1CCCCC1 250635599 572500918 /nfs/dbraw/zinc/50/09/18/572500918.db2.gz SAYSCHPGWGNMRH-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@H]1C1CCCCC1 250635599 572500921 /nfs/dbraw/zinc/50/09/21/572500921.db2.gz SAYSCHPGWGNMRH-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@@H]1C(C)C 84127178 572501549 /nfs/dbraw/zinc/50/15/49/572501549.db2.gz KAFNFBKUPBUUHR-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@@H]1C(C)C 84127178 572501551 /nfs/dbraw/zinc/50/15/51/572501551.db2.gz KAFNFBKUPBUUHR-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)CCN 84125291 572501916 /nfs/dbraw/zinc/50/19/16/572501916.db2.gz MNGGPXYYSSIXFX-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)CCN 84125291 572501921 /nfs/dbraw/zinc/50/19/21/572501921.db2.gz MNGGPXYYSSIXFX-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO C/C=C/C=C/CN1CC[C@H](C[NH3+])C1 308042797 572502367 /nfs/dbraw/zinc/50/23/67/572502367.db2.gz DDCBIBWGBQWOSW-WANFKSSISA-N 1 3 180.295 1.399 10 0 ADAEHO CCNCC[N@@H+]1CCC[C@@H]1C(C)C 84125576 572502704 /nfs/dbraw/zinc/50/27/04/572502704.db2.gz UBGJEFIEWQLTSS-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNCC[N@H+]1CCC[C@@H]1C(C)C 84125576 572502708 /nfs/dbraw/zinc/50/27/08/572502708.db2.gz UBGJEFIEWQLTSS-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CC[C@@H]2CCC[NH2+][C@H]2CC1 250642134 572502724 /nfs/dbraw/zinc/50/27/24/572502724.db2.gz UBMNFSBFQXFEIF-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CN1CC[C@@H]2[NH2+]CCC[C@@H]2CC1 250642138 572502798 /nfs/dbraw/zinc/50/27/98/572502798.db2.gz UBMNFSBFQXFEIF-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1[C@H](CN)C1CCCC1 250641615 572503260 /nfs/dbraw/zinc/50/32/60/572503260.db2.gz TXYQGTUHXHONLJ-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCC[C@@H]1[C@H](CN)C1CCCC1 250641615 572503266 /nfs/dbraw/zinc/50/32/66/572503266.db2.gz TXYQGTUHXHONLJ-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1([N@H+]2CC[C@H](CN)C2)CCCCC1 45046081 572503538 /nfs/dbraw/zinc/50/35/38/572503538.db2.gz WDWPCZPDZVLECT-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@@H]2CCCC[C@@H]2C1 250638614 572503551 /nfs/dbraw/zinc/50/35/51/572503551.db2.gz SNBKRQWXHYOGHG-OUAUKWLOSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@@H+]1CCC[C@H]1[C@H](CN)C1CCCC1 250641613 572503507 /nfs/dbraw/zinc/50/35/07/572503507.db2.gz TXYQGTUHXHONLJ-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCC[C@H]1[C@H](CN)C1CCCC1 250641613 572503510 /nfs/dbraw/zinc/50/35/10/572503510.db2.gz TXYQGTUHXHONLJ-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1([N@@H+]2CC[C@H](CN)C2)CCCCC1 45046081 572503533 /nfs/dbraw/zinc/50/35/33/572503533.db2.gz WDWPCZPDZVLECT-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCCC[C@@H]2C1 250638614 572503554 /nfs/dbraw/zinc/50/35/54/572503554.db2.gz SNBKRQWXHYOGHG-OUAUKWLOSA-N 1 3 182.311 1.313 10 0 ADAEHO CC[C@H](C[C@H]1CCCCN1)[NH2+]C 238271884 572503557 /nfs/dbraw/zinc/50/35/57/572503557.db2.gz NAVKRCMSHOBODN-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCCC[C@@H]2C1 250638614 572503558 /nfs/dbraw/zinc/50/35/58/572503558.db2.gz SNBKRQWXHYOGHG-OUAUKWLOSA-N 1 3 182.311 1.313 10 0 ADAEHO C/C=C(\CC)C[N@@H+]1CC[C@@H](CN)C1 308042226 572503905 /nfs/dbraw/zinc/50/39/05/572503905.db2.gz CHHSVGMMNRQANE-LFJXOHPOSA-N 1 3 182.311 1.623 10 0 ADAEHO C/C=C(\CC)C[N@H+]1CC[C@@H](CN)C1 308042226 572503907 /nfs/dbraw/zinc/50/39/07/572503907.db2.gz CHHSVGMMNRQANE-LFJXOHPOSA-N 1 3 182.311 1.623 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@H]2CCCC[C@@H]2C1 250638617 572503885 /nfs/dbraw/zinc/50/38/85/572503885.db2.gz SNBKRQWXHYOGHG-VWYCJHECSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCCC[C@@H]2C1 250638617 572503888 /nfs/dbraw/zinc/50/38/88/572503888.db2.gz SNBKRQWXHYOGHG-VWYCJHECSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@H]2CCCC[C@@H]2C1 250638617 572503892 /nfs/dbraw/zinc/50/38/92/572503892.db2.gz SNBKRQWXHYOGHG-VWYCJHECSA-N 1 3 182.311 1.313 10 0 ADAEHO C/C=C(\CC)CN1CC[C@@H](C[NH3+])C1 308042226 572503903 /nfs/dbraw/zinc/50/39/03/572503903.db2.gz CHHSVGMMNRQANE-LFJXOHPOSA-N 1 3 182.311 1.623 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](C)CN 84125251 572503913 /nfs/dbraw/zinc/50/39/13/572503913.db2.gz CVJYILXMQBFQGP-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H](C2CCCC2)CC1 250640091 572503922 /nfs/dbraw/zinc/50/39/22/572503922.db2.gz SXAWIZZSNSZKPT-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCNCC[N@@H+]1CCC[C@H]1C(C)C 84125577 572504204 /nfs/dbraw/zinc/50/42/04/572504204.db2.gz UBGJEFIEWQLTSS-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCCC[C@H]2C1 250638198 572504146 /nfs/dbraw/zinc/50/41/46/572504146.db2.gz SNBKRQWXHYOGHG-DCAQKATOSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@H]2CCCC[C@H]2C1 250638198 572504151 /nfs/dbraw/zinc/50/41/51/572504151.db2.gz SNBKRQWXHYOGHG-DCAQKATOSA-N 1 3 182.311 1.313 10 0 ADAEHO CCNCC[N@H+]1CCC[C@H]1C(C)C 84125577 572504207 /nfs/dbraw/zinc/50/42/07/572504207.db2.gz UBGJEFIEWQLTSS-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+]1CC[C@@H](C)N 84125927 572504181 /nfs/dbraw/zinc/50/41/81/572504181.db2.gz NDIZOTMYNQEDNQ-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+]1CC[C@@H](C)N 84125927 572504187 /nfs/dbraw/zinc/50/41/87/572504187.db2.gz NDIZOTMYNQEDNQ-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO C/C=C/C=C/CN1CC[C@@H](C[NH3+])C1 308042795 572504228 /nfs/dbraw/zinc/50/42/28/572504228.db2.gz DDCBIBWGBQWOSW-JWVODRKRSA-N 1 3 180.295 1.399 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@@H]2CCCC[C@H]2C1 250638200 572504378 /nfs/dbraw/zinc/50/43/78/572504378.db2.gz SNBKRQWXHYOGHG-GARJFASQSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCCC[C@H]2C1 250638200 572504381 /nfs/dbraw/zinc/50/43/81/572504381.db2.gz SNBKRQWXHYOGHG-GARJFASQSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCCC[C@H]2C1 250638200 572504384 /nfs/dbraw/zinc/50/43/84/572504384.db2.gz SNBKRQWXHYOGHG-GARJFASQSA-N 1 3 182.311 1.313 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@H](C2CCCC2)CC1 250640094 572504498 /nfs/dbraw/zinc/50/44/98/572504498.db2.gz SXAWIZZSNSZKPT-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CNC[C@H]1C 308044158 572505609 /nfs/dbraw/zinc/50/56/09/572505609.db2.gz OPZBCCTYTFHAAN-PSASIEDQSA-N 1 3 170.300 1.373 10 0 ADAEHO CC1([N@@H+]2CC[C@@H](CN)C2)CCCCC1 45046083 572504760 /nfs/dbraw/zinc/50/47/60/572504760.db2.gz WDWPCZPDZVLECT-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC1([N@H+]2CC[C@@H](CN)C2)CCCCC1 45046083 572504762 /nfs/dbraw/zinc/50/47/62/572504762.db2.gz WDWPCZPDZVLECT-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C/C=C(\CC)CN1CC[C@H](C[NH3+])C1 308042224 572504766 /nfs/dbraw/zinc/50/47/66/572504766.db2.gz CHHSVGMMNRQANE-JNZVDCKRSA-N 1 3 182.311 1.623 10 0 ADAEHO C/C=C(\CC)C[N@@H+]1CC[C@H](CN)C1 308042224 572504768 /nfs/dbraw/zinc/50/47/68/572504768.db2.gz CHHSVGMMNRQANE-JNZVDCKRSA-N 1 3 182.311 1.623 10 0 ADAEHO C/C=C(\CC)C[N@H+]1CC[C@H](CN)C1 308042224 572504770 /nfs/dbraw/zinc/50/47/70/572504770.db2.gz CHHSVGMMNRQANE-JNZVDCKRSA-N 1 3 182.311 1.623 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+]1[C@@H](C)CCN 84125293 572504792 /nfs/dbraw/zinc/50/47/92/572504792.db2.gz MNGGPXYYSSIXFX-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+]1[C@@H](C)CCN 84125293 572504794 /nfs/dbraw/zinc/50/47/94/572504794.db2.gz MNGGPXYYSSIXFX-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+]1C[C@@H](C)CN 84125254 572504857 /nfs/dbraw/zinc/50/48/57/572504857.db2.gz CVJYILXMQBFQGP-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+]1C[C@@H](C)CN 84125254 572504859 /nfs/dbraw/zinc/50/48/59/572504859.db2.gz CVJYILXMQBFQGP-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CC[C@H](C)C1 87472186 572504911 /nfs/dbraw/zinc/50/49/11/572504911.db2.gz KFJICQXHTFQIJQ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CC[C@H](C)C1 87472186 572504916 /nfs/dbraw/zinc/50/49/16/572504916.db2.gz KFJICQXHTFQIJQ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1CC[C@H](C)C1 87472186 572504919 /nfs/dbraw/zinc/50/49/19/572504919.db2.gz KFJICQXHTFQIJQ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CCC[C@H]1C 87472421 572505046 /nfs/dbraw/zinc/50/50/46/572505046.db2.gz NZJURBFMITWRSW-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CCC[C@H]1C 87472421 572505049 /nfs/dbraw/zinc/50/50/49/572505049.db2.gz NZJURBFMITWRSW-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CCC[C@@H]1C 87472422 572505069 /nfs/dbraw/zinc/50/50/69/572505069.db2.gz NZJURBFMITWRSW-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C 87472422 572505073 /nfs/dbraw/zinc/50/50/73/572505073.db2.gz NZJURBFMITWRSW-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCSCCN[C@@H]1CC[C@@H]([NH3+])C1 308043507 572505158 /nfs/dbraw/zinc/50/51/58/572505158.db2.gz OIOOCFGIPHVGKR-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO C[N@@H+]1CCCC[C@@]12CCC[C@H]2N 250633138 572505640 /nfs/dbraw/zinc/50/56/40/572505640.db2.gz RODIJHGZEYOETK-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1CCCC[C@@]12CCC[C@H]2N 250633138 572505643 /nfs/dbraw/zinc/50/56/43/572505643.db2.gz RODIJHGZEYOETK-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@H]1C1CCCC1 250642711 572505661 /nfs/dbraw/zinc/50/56/61/572505661.db2.gz UIFCOIHUDPUPFK-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H](C)[C@H](C)[N@H+](C)CCCNC 87472393 572505688 /nfs/dbraw/zinc/50/56/88/572505688.db2.gz XDBXRPAFXXSOFS-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)[C@H](C)[N@@H+](C)CCCNC 87472393 572505690 /nfs/dbraw/zinc/50/56/90/572505690.db2.gz XDBXRPAFXXSOFS-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CNCCC[N@H+](C)[C@H]1CCC[C@H]1C 87472419 572505708 /nfs/dbraw/zinc/50/57/08/572505708.db2.gz NZJURBFMITWRSW-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@H]1CCC[C@H]1C 87472419 572505712 /nfs/dbraw/zinc/50/57/12/572505712.db2.gz NZJURBFMITWRSW-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@@H+]1CCCC[C@]12CCC[C@H]2N 250633137 572505744 /nfs/dbraw/zinc/50/57/44/572505744.db2.gz RODIJHGZEYOETK-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1CCCC[C@]12CCC[C@H]2N 250633137 572505747 /nfs/dbraw/zinc/50/57/47/572505747.db2.gz RODIJHGZEYOETK-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@@H](C(C)C)[N@H+](C)CCCNC 87472302 572506334 /nfs/dbraw/zinc/50/63/34/572506334.db2.gz RFFXVMMBHBYESZ-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CSCCC[NH2+]CC(C)(C)CN 308044029 572505776 /nfs/dbraw/zinc/50/57/76/572505776.db2.gz ONNNVHHMWNPGIT-UHFFFAOYSA-N 1 3 190.356 1.314 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CNC[C@@H]1C 308044162 572505819 /nfs/dbraw/zinc/50/58/19/572505819.db2.gz OPZBCCTYTFHAAN-WCBMZHEXSA-N 1 3 170.300 1.373 10 0 ADAEHO CCSCCN[C@H]1CC[C@H]([NH3+])C1 308043506 572506428 /nfs/dbraw/zinc/50/64/28/572506428.db2.gz OIOOCFGIPHVGKR-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO CCN[C@](C)(CC[NH3+])c1ccccc1 238275605 572505908 /nfs/dbraw/zinc/50/59/08/572505908.db2.gz IMODBMAVXVALHV-GFCCVEGCSA-N 1 3 192.306 1.860 10 0 ADAEHO CC[C@@H](C(C)C)[N@@H+](C)CCCNC 87472302 572506339 /nfs/dbraw/zinc/50/63/39/572506339.db2.gz RFFXVMMBHBYESZ-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])C2CCCCC2)C1 250634344 572506392 /nfs/dbraw/zinc/50/63/92/572506392.db2.gz RTTZBPZYGBQOHO-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[N@H+](C)CCCNC 87472391 572506393 /nfs/dbraw/zinc/50/63/93/572506393.db2.gz XDBXRPAFXXSOFS-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[N@@H+](C)CCCNC 87472391 572506396 /nfs/dbraw/zinc/50/63/96/572506396.db2.gz XDBXRPAFXXSOFS-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCSCCN[C@@H]1CC[C@H]([NH3+])C1 308043505 572506501 /nfs/dbraw/zinc/50/65/01/572506501.db2.gz OIOOCFGIPHVGKR-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO CN(CC(C)(C)C)C1CC[NH2+]CC1 45074027 572506504 /nfs/dbraw/zinc/50/65/04/572506504.db2.gz CMFFAZUYDLPNGZ-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CCSCCN[C@H]1CC[C@@H]([NH3+])C1 308043504 572506791 /nfs/dbraw/zinc/50/67/91/572506791.db2.gz OIOOCFGIPHVGKR-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCN[C@H](CC)C1 307781242 572507119 /nfs/dbraw/zinc/50/71/19/572507119.db2.gz ZHOOOXHLRCOPRB-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCN[C@H](CC)C1 307781242 572507120 /nfs/dbraw/zinc/50/71/20/572507120.db2.gz ZHOOOXHLRCOPRB-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@@H]1CC[NH2+][C@H](CC)C1 307781242 572507123 /nfs/dbraw/zinc/50/71/23/572507123.db2.gz ZHOOOXHLRCOPRB-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+]CCCN(C)CCC1CC1 87472722 572506873 /nfs/dbraw/zinc/50/68/73/572506873.db2.gz QBOJNKKFFCLEIK-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CNCCC[N@H+](C)CCC1CC1 87472722 572506878 /nfs/dbraw/zinc/50/68/78/572506878.db2.gz QBOJNKKFFCLEIK-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CNCCC[N@@H+](C)CCC1CC1 87472722 572506885 /nfs/dbraw/zinc/50/68/85/572506885.db2.gz QBOJNKKFFCLEIK-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])Cc2ccoc2)C1 250642578 572506913 /nfs/dbraw/zinc/50/69/13/572506913.db2.gz UGLHZSBHHLICEQ-MNOVXSKESA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@@H+]1CC[C@@H]([C@@H](N)Cc2ccoc2)C1 250642578 572506919 /nfs/dbraw/zinc/50/69/19/572506919.db2.gz UGLHZSBHHLICEQ-MNOVXSKESA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@H+]1CC[C@@H]([C@@H](N)Cc2ccoc2)C1 250642578 572506924 /nfs/dbraw/zinc/50/69/24/572506924.db2.gz UGLHZSBHHLICEQ-MNOVXSKESA-N 1 3 194.278 1.101 10 0 ADAEHO CN1CC[C@H]([C@@H]([NH3+])C2CCCCC2)C1 250634345 572507062 /nfs/dbraw/zinc/50/70/62/572507062.db2.gz RTTZBPZYGBQOHO-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CC[C@@H](C)C1 87472185 572507080 /nfs/dbraw/zinc/50/70/80/572507080.db2.gz KFJICQXHTFQIJQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 87472185 572507084 /nfs/dbraw/zinc/50/70/84/572507084.db2.gz KFJICQXHTFQIJQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1CC[C@@H](C)C1 87472185 572507088 /nfs/dbraw/zinc/50/70/88/572507088.db2.gz KFJICQXHTFQIJQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CC[C@H](C2CCC2)[C@@H](C[NH3+])C1 250632524 572508955 /nfs/dbraw/zinc/50/89/55/572508955.db2.gz RKWUEFVAYOTUQV-WDEREUQCSA-N 1 3 182.311 1.313 10 0 ADAEHO CN1CC[C@@H](C2CCC2)[C@@H](C[NH3+])C1 250632521 572507301 /nfs/dbraw/zinc/50/73/01/572507301.db2.gz RKWUEFVAYOTUQV-QWRGUYRKSA-N 1 3 182.311 1.313 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCN[C@H](CC)C1 307781243 572507346 /nfs/dbraw/zinc/50/73/46/572507346.db2.gz ZHOOOXHLRCOPRB-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCN[C@H](CC)C1 307781243 572507352 /nfs/dbraw/zinc/50/73/52/572507352.db2.gz ZHOOOXHLRCOPRB-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@H]1CC[NH2+][C@H](CC)C1 307781243 572507356 /nfs/dbraw/zinc/50/73/56/572507356.db2.gz ZHOOOXHLRCOPRB-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CN1CC[C@H]([C@@H]([NH3+])Cc2ccoc2)C1 250642580 572507370 /nfs/dbraw/zinc/50/73/70/572507370.db2.gz UGLHZSBHHLICEQ-QWRGUYRKSA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@@H+]1CC[C@H]([C@@H](N)Cc2ccoc2)C1 250642580 572507376 /nfs/dbraw/zinc/50/73/76/572507376.db2.gz UGLHZSBHHLICEQ-QWRGUYRKSA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@H+]1CC[C@H]([C@@H](N)Cc2ccoc2)C1 250642580 572507383 /nfs/dbraw/zinc/50/73/83/572507383.db2.gz UGLHZSBHHLICEQ-QWRGUYRKSA-N 1 3 194.278 1.101 10 0 ADAEHO CNCCC[N@H+](C)[C@H]1CCC[C@@H]1C 87472420 572507386 /nfs/dbraw/zinc/50/73/86/572507386.db2.gz NZJURBFMITWRSW-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@H]1CCC[C@@H]1C 87472420 572507392 /nfs/dbraw/zinc/50/73/92/572507392.db2.gz NZJURBFMITWRSW-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CCC[C@@H]2[NH2+]CCC[C@H]2C1 250631994 572507405 /nfs/dbraw/zinc/50/74/05/572507405.db2.gz RJNOLEBZMCKMKE-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@H]1C1CCCC1 250642709 572507564 /nfs/dbraw/zinc/50/75/64/572507564.db2.gz UIFCOIHUDPUPFK-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H](C1CC1)[N@@H+](C)CCCNC 87472370 572507644 /nfs/dbraw/zinc/50/76/44/572507644.db2.gz YMGVMNRPYQRPLB-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C1CC1)[N@H+](C)CCCNC 87472370 572507639 /nfs/dbraw/zinc/50/76/39/572507639.db2.gz YMGVMNRPYQRPLB-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CNC[C@H]1C 308044160 572507693 /nfs/dbraw/zinc/50/76/93/572507693.db2.gz OPZBCCTYTFHAAN-SCZZXKLOSA-N 1 3 170.300 1.373 10 0 ADAEHO CNCCC[N@H+](C)[C@H]1CC[C@H](C)C1 87472184 572507880 /nfs/dbraw/zinc/50/78/80/572507880.db2.gz KFJICQXHTFQIJQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@H]1CC[C@H](C)C1 87472184 572507883 /nfs/dbraw/zinc/50/78/83/572507883.db2.gz KFJICQXHTFQIJQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CCCN(C)[C@H]1CC[C@H](C)C1 87472184 572507887 /nfs/dbraw/zinc/50/78/87/572507887.db2.gz KFJICQXHTFQIJQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCN[C@@H](CC)C1 307781246 572507991 /nfs/dbraw/zinc/50/79/91/572507991.db2.gz ZHOOOXHLRCOPRB-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN1CCC[C@H]2[NH2+]CCC[C@H]2C1 250631995 572507994 /nfs/dbraw/zinc/50/79/94/572507994.db2.gz RJNOLEBZMCKMKE-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCN[C@@H](CC)C1 307781246 572507996 /nfs/dbraw/zinc/50/79/96/572507996.db2.gz ZHOOOXHLRCOPRB-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@@H]1CC[NH2+][C@@H](CC)C1 307781246 572508000 /nfs/dbraw/zinc/50/80/00/572508000.db2.gz ZHOOOXHLRCOPRB-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[C@H](C)[N@H+](C)CCCNC 87472394 572508104 /nfs/dbraw/zinc/50/81/04/572508104.db2.gz XDBXRPAFXXSOFS-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C)[C@H](C)[N@@H+](C)CCCNC 87472394 572508106 /nfs/dbraw/zinc/50/81/06/572508106.db2.gz XDBXRPAFXXSOFS-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C1CC1)[N@H+](C)CCCNC 87472371 572508120 /nfs/dbraw/zinc/50/81/20/572508120.db2.gz YMGVMNRPYQRPLB-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C1CC1)[N@@H+](C)CCCNC 87472371 572508124 /nfs/dbraw/zinc/50/81/24/572508124.db2.gz YMGVMNRPYQRPLB-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CNC[C@@H]1C 308044165 572508625 /nfs/dbraw/zinc/50/86/25/572508625.db2.gz OPZBCCTYTFHAAN-WPRPVWTQSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C(C)C)[N@H+](C)CCCNC 87472303 572508671 /nfs/dbraw/zinc/50/86/71/572508671.db2.gz RFFXVMMBHBYESZ-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C(C)C)[N@@H+](C)CCCNC 87472303 572508674 /nfs/dbraw/zinc/50/86/74/572508674.db2.gz RFFXVMMBHBYESZ-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@H](CN(C)CC(C)(C)C)C(N)=[NH2+] 45074250 572509656 /nfs/dbraw/zinc/50/96/56/572509656.db2.gz DUMLOEOSRGYLGU-MRVPVSSYSA-N 1 3 185.315 1.536 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@@H]2CCCCC[C@@H]21 250635576 572509663 /nfs/dbraw/zinc/50/96/63/572509663.db2.gz SARROJYERUJNTH-SRVKXCTJSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1C[C@@H](C[NH3+])C[C@H]1c1cccs1 250634400 572509771 /nfs/dbraw/zinc/50/97/71/572509771.db2.gz RUPGKIRGYRYMOZ-BDAKNGLRSA-N 1 3 196.319 1.700 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@H]1c1cccs1 250634402 572509837 /nfs/dbraw/zinc/50/98/37/572509837.db2.gz RUPGKIRGYRYMOZ-IUCAKERBSA-N 1 3 196.319 1.700 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@H]2CCCCC[C@H]21 250635570 572509963 /nfs/dbraw/zinc/50/99/63/572509963.db2.gz SARROJYERUJNTH-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@@H]2CCCCC[C@H]21 250635573 572510422 /nfs/dbraw/zinc/51/04/22/572510422.db2.gz SARROJYERUJNTH-SDDRHHMPSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CC2(C)C)CCN1 45136727 572510484 /nfs/dbraw/zinc/51/04/84/572510484.db2.gz RTBALRDVDCONDU-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CC2(C)C)CCN1 45136727 572510486 /nfs/dbraw/zinc/51/04/86/572510486.db2.gz RTBALRDVDCONDU-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CN1CCC[C@H]1C[C@H]1CCC[NH2+]1 250648769 572510892 /nfs/dbraw/zinc/51/08/92/572510892.db2.gz WCUYLHMSVNBJQM-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[C@@H](C[NH2+]CCCN)CC(C)C 308044970 572510969 /nfs/dbraw/zinc/51/09/69/572510969.db2.gz AOTKBRMXKCXVRI-LLVKDONJSA-N 1 3 186.343 1.997 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CCC[C@H]1CN 84217357 572511203 /nfs/dbraw/zinc/51/12/03/572511203.db2.gz IFBYUIMPLHMDIR-GXSJLCMTSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1CCN([C@@H]2CC2(C)C)CCC[NH2+]1 45136718 572511272 /nfs/dbraw/zinc/51/12/72/572511272.db2.gz YGDHXJHDKQYJPL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)CCCN1 45136718 572511274 /nfs/dbraw/zinc/51/12/74/572511274.db2.gz YGDHXJHDKQYJPL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC2(C)C)CCCN1 45136718 572511278 /nfs/dbraw/zinc/51/12/78/572511278.db2.gz YGDHXJHDKQYJPL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CCC[C@@H]1CN 84217354 572511335 /nfs/dbraw/zinc/51/13/35/572511335.db2.gz IFBYUIMPLHMDIR-KOLCDFICSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC2(C)C)CC[C@@H]1N 45135316 572511437 /nfs/dbraw/zinc/51/14/37/572511437.db2.gz OFVDVNJKMNKISH-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC2(C)C)CC[C@@H]1N 45135316 572511442 /nfs/dbraw/zinc/51/14/42/572511442.db2.gz OFVDVNJKMNKISH-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[NH2+]CCCN([C@@H]2CC2(C)C)C1 45136734 572511461 /nfs/dbraw/zinc/51/14/61/572511461.db2.gz GHZIQXHBKQGXSU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@@H+]([C@@H]2CC2(C)C)C1 45136734 572511466 /nfs/dbraw/zinc/51/14/66/572511466.db2.gz GHZIQXHBKQGXSU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@H+]([C@@H]2CC2(C)C)C1 45136734 572511469 /nfs/dbraw/zinc/51/14/69/572511469.db2.gz GHZIQXHBKQGXSU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CN1CCC[C@@H]1C[C@H]1CCC[NH2+]1 250648767 572511773 /nfs/dbraw/zinc/51/17/73/572511773.db2.gz WCUYLHMSVNBJQM-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[N@H+](CCC1CC1)[C@@H]1CCC[C@@H]1CN 84214104 572513039 /nfs/dbraw/zinc/51/30/39/572513039.db2.gz ZLMAPGWSMCGMOL-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@@H]1CCC[C@@H]1CN 84214104 572513042 /nfs/dbraw/zinc/51/30/42/572513042.db2.gz ZLMAPGWSMCGMOL-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@H+](C1CCC1)[C@H]1CCC[C@@H]1CN 84214243 572512015 /nfs/dbraw/zinc/51/20/15/572512015.db2.gz XDDMWNMLCCXGDK-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](C1CCC1)[C@H]1CCC[C@@H]1CN 84214243 572512020 /nfs/dbraw/zinc/51/20/20/572512020.db2.gz XDDMWNMLCCXGDK-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CCC[C@H]1CN 84217358 572512230 /nfs/dbraw/zinc/51/22/30/572512230.db2.gz IFBYUIMPLHMDIR-ONGXEEELSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1CCN([C@@H]2CC2(C)C)CCC[NH2+]1 45136719 572512474 /nfs/dbraw/zinc/51/24/74/572512474.db2.gz YGDHXJHDKQYJPL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CC2(C)C)CCCN1 45136719 572512477 /nfs/dbraw/zinc/51/24/77/572512477.db2.gz YGDHXJHDKQYJPL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CC2(C)C)CCCN1 45136719 572512478 /nfs/dbraw/zinc/51/24/78/572512478.db2.gz YGDHXJHDKQYJPL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C[NH2+]CCCN)CC(C)C 308044972 572512694 /nfs/dbraw/zinc/51/26/94/572512694.db2.gz AOTKBRMXKCXVRI-NSHDSACASA-N 1 3 186.343 1.997 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@H]1CCC[NH2+]C1 45137768 572515516 /nfs/dbraw/zinc/51/55/16/572515516.db2.gz HBHAOKSDFOUNCH-UWVGGRQHSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@H]1CCCNC1 45137768 572515517 /nfs/dbraw/zinc/51/55/17/572515517.db2.gz HBHAOKSDFOUNCH-UWVGGRQHSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCN1CCC[C@@H](C[NH2+]CC)C1 53654018 572513380 /nfs/dbraw/zinc/51/33/80/572513380.db2.gz RZMWYVVSOCGDEI-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CCC[C@@H]1CN 84217352 572513349 /nfs/dbraw/zinc/51/33/49/572513349.db2.gz IFBYUIMPLHMDIR-MWLCHTKSSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCN(CC(C)C)C1 53654009 572513694 /nfs/dbraw/zinc/51/36/94/572513694.db2.gz OMKRREGJULSDNL-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO C[N@H+](CCC1CC1)[C@H]1CCC[C@@H]1CN 84214105 572513716 /nfs/dbraw/zinc/51/37/16/572513716.db2.gz ZLMAPGWSMCGMOL-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@H]1CCC[C@@H]1CN 84214105 572513726 /nfs/dbraw/zinc/51/37/26/572513726.db2.gz ZLMAPGWSMCGMOL-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)CCN1 45136726 572513759 /nfs/dbraw/zinc/51/37/59/572513759.db2.gz RTBALRDVDCONDU-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC2(C)C)CCN1 45136726 572513762 /nfs/dbraw/zinc/51/37/62/572513762.db2.gz RTBALRDVDCONDU-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[NH2+]C[C@H]1CCCN(CC2CC2)C1 53654458 572513817 /nfs/dbraw/zinc/51/38/17/572513817.db2.gz LMOURMAZBOCRKA-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CC1(C)C 45135326 572513909 /nfs/dbraw/zinc/51/39/09/572513909.db2.gz YQWXYLFXBYRHQY-OPRDCNLKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1CC1(C)C 45135326 572513912 /nfs/dbraw/zinc/51/39/12/572513912.db2.gz YQWXYLFXBYRHQY-OPRDCNLKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN([C@@H]2CC2(C)C)C1 45136733 572513951 /nfs/dbraw/zinc/51/39/51/572513951.db2.gz GHZIQXHBKQGXSU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+]([C@@H]2CC2(C)C)C1 45136733 572513952 /nfs/dbraw/zinc/51/39/52/572513952.db2.gz GHZIQXHBKQGXSU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@H+]([C@@H]2CC2(C)C)C1 45136733 572513955 /nfs/dbraw/zinc/51/39/55/572513955.db2.gz GHZIQXHBKQGXSU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@H+](C1CCC1)[C@@H]1CCC[C@@H]1CN 84214242 572513977 /nfs/dbraw/zinc/51/39/77/572513977.db2.gz XDDMWNMLCCXGDK-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](C1CCC1)[C@@H]1CCC[C@@H]1CN 84214242 572513980 /nfs/dbraw/zinc/51/39/80/572513980.db2.gz XDDMWNMLCCXGDK-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1[C@@H]1CC1(C)C 45135328 572514011 /nfs/dbraw/zinc/51/40/11/572514011.db2.gz YQWXYLFXBYRHQY-KXUCPTDWSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1[C@@H]1CC1(C)C 45135328 572514013 /nfs/dbraw/zinc/51/40/13/572514013.db2.gz YQWXYLFXBYRHQY-KXUCPTDWSA-N 1 3 182.311 1.597 10 0 ADAEHO C/C=C/CN(C)[C@@H]1CCC[C@@H]1C[NH3+] 84213994 572514109 /nfs/dbraw/zinc/51/41/09/572514109.db2.gz XTFORRFFIOREAY-YIZUVKHSSA-N 1 3 182.311 1.622 10 0 ADAEHO CC(C)(C)[N@@H+]1C[C@@H]2CCCN[C@H]2C1 250675220 572514243 /nfs/dbraw/zinc/51/42/43/572514243.db2.gz ATOAWXHHQSWSRC-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)(C)[N@H+]1C[C@@H]2CCCN[C@H]2C1 250675220 572514247 /nfs/dbraw/zinc/51/42/47/572514247.db2.gz ATOAWXHHQSWSRC-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]([NH3+])CCN[C@H]1CC1(C)C 45137941 572516022 /nfs/dbraw/zinc/51/60/22/572516022.db2.gz BWBQQDCCWVBAJI-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO CCCN1CCC[C@H](C[NH2+]CC)C1 53654014 572514449 /nfs/dbraw/zinc/51/44/49/572514449.db2.gz RZMWYVVSOCGDEI-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO C/C=C/C=C/C[N@@H+]1CCC[C@H]1CN 308051317 572514525 /nfs/dbraw/zinc/51/45/25/572514525.db2.gz LTPYMDQGXXCHDR-JWVODRKRSA-N 1 3 180.295 1.542 10 0 ADAEHO C/C=C/C=C/C[N@H+]1CCC[C@H]1CN 308051317 572514527 /nfs/dbraw/zinc/51/45/27/572514527.db2.gz LTPYMDQGXXCHDR-JWVODRKRSA-N 1 3 180.295 1.542 10 0 ADAEHO CC[NH2+]C[C@H]1CCCN(CC(C)C)C1 53654013 572514535 /nfs/dbraw/zinc/51/45/35/572514535.db2.gz OMKRREGJULSDNL-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@H]1CCC[NH2+]C1 45137766 572514807 /nfs/dbraw/zinc/51/48/07/572514807.db2.gz HBHAOKSDFOUNCH-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@@H]1CCCNC1 45137766 572514812 /nfs/dbraw/zinc/51/48/12/572514812.db2.gz HBHAOKSDFOUNCH-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO C=COCCC[NH2+][C@@H]1CCC[C@@H]1CN 84218281 572515234 /nfs/dbraw/zinc/51/52/34/572515234.db2.gz OYERGMAQRRAYQZ-GHMZBOCLSA-N 1 3 198.310 1.254 10 0 ADAEHO CC1(C)C[C@H]1NC[C@H]1CCC[NH2+]C1 45137770 572515001 /nfs/dbraw/zinc/51/50/01/572515001.db2.gz HBHAOKSDFOUNCH-VHSXEESVSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@H]1CCCNC1 45137770 572515004 /nfs/dbraw/zinc/51/50/04/572515004.db2.gz HBHAOKSDFOUNCH-VHSXEESVSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137931 572515202 /nfs/dbraw/zinc/51/52/02/572515202.db2.gz BRGNORQCKMSQKJ-HTQZYQBOSA-N 1 3 156.273 1.112 10 0 ADAEHO C=COCCC[NH2+][C@H]1CCC[C@@H]1CN 84218285 572515251 /nfs/dbraw/zinc/51/52/51/572515251.db2.gz OYERGMAQRRAYQZ-MNOVXSKESA-N 1 3 198.310 1.254 10 0 ADAEHO CC[C@@H]([NH3+])CN[C@H]1CC1(C)C 45137935 572515330 /nfs/dbraw/zinc/51/53/30/572515330.db2.gz BRGNORQCKMSQKJ-SFYZADRCSA-N 1 3 156.273 1.112 10 0 ADAEHO C=COCCC[NH2+][C@@H]1CCC[C@H]1CN 84218289 572515359 /nfs/dbraw/zinc/51/53/59/572515359.db2.gz OYERGMAQRRAYQZ-WDEREUQCSA-N 1 3 198.310 1.254 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 53654454 572515420 /nfs/dbraw/zinc/51/54/20/572515420.db2.gz LMOURMAZBOCRKA-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO C=COCCC[NH2+][C@H]1CCC[C@H]1CN 84218293 572515421 /nfs/dbraw/zinc/51/54/21/572515421.db2.gz OYERGMAQRRAYQZ-QWRGUYRKSA-N 1 3 198.310 1.254 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 45137764 572515434 /nfs/dbraw/zinc/51/54/34/572515434.db2.gz HBHAOKSDFOUNCH-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCCNC1 45137764 572515439 /nfs/dbraw/zinc/51/54/39/572515439.db2.gz HBHAOKSDFOUNCH-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)([NH3+])CN[C@@H]1CC1(C)C 45137802 572515503 /nfs/dbraw/zinc/51/55/03/572515503.db2.gz FTKUJSGLVQZJSW-SSDOTTSWSA-N 1 3 156.273 1.112 10 0 ADAEHO C[N@H+]1C[C@H](C(C)(C)C)[C@H](CN)C1 250684264 572515579 /nfs/dbraw/zinc/51/55/79/572515579.db2.gz FXGZZRXRFZDZFF-BDAKNGLRSA-N 1 3 170.300 1.169 10 0 ADAEHO C[N@@H+]1C[C@H](C(C)(C)C)[C@H](CN)C1 250684264 572515580 /nfs/dbraw/zinc/51/55/80/572515580.db2.gz FXGZZRXRFZDZFF-BDAKNGLRSA-N 1 3 170.300 1.169 10 0 ADAEHO CC1(C)C[C@@H]1NCC1([NH3+])CCCC1 45137669 572515648 /nfs/dbraw/zinc/51/56/48/572515648.db2.gz ZMLHVFAJOCQFKL-VIFPVBQESA-N 1 3 182.311 1.646 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1CC[C@@H]1C 308051718 572515693 /nfs/dbraw/zinc/51/56/93/572515693.db2.gz SJBBFKSNPMEFHI-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CC[C@@H]1C 308051718 572515698 /nfs/dbraw/zinc/51/56/98/572515698.db2.gz SJBBFKSNPMEFHI-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CC[C@@H]1C 308051718 572515702 /nfs/dbraw/zinc/51/57/02/572515702.db2.gz SJBBFKSNPMEFHI-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)([NH3+])CN[C@H]1CC1(C)C 45137800 572515760 /nfs/dbraw/zinc/51/57/60/572515760.db2.gz FTKUJSGLVQZJSW-ZETCQYMHSA-N 1 3 156.273 1.112 10 0 ADAEHO C/C=C/C=C/C[N@@H+]1CCC[C@@H]1CN 308051319 572515849 /nfs/dbraw/zinc/51/58/49/572515849.db2.gz LTPYMDQGXXCHDR-WANFKSSISA-N 1 3 180.295 1.542 10 0 ADAEHO C/C=C/C=C/C[N@H+]1CCC[C@@H]1CN 308051319 572515855 /nfs/dbraw/zinc/51/58/55/572515855.db2.gz LTPYMDQGXXCHDR-WANFKSSISA-N 1 3 180.295 1.542 10 0 ADAEHO CC1(C)C[C@H]1NCC1([NH3+])CCCC1 45137671 572515877 /nfs/dbraw/zinc/51/58/77/572515877.db2.gz ZMLHVFAJOCQFKL-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1CC[C@H]1C 308051703 572515882 /nfs/dbraw/zinc/51/58/82/572515882.db2.gz SJBBFKSNPMEFHI-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CC[C@H]1C 308051703 572515886 /nfs/dbraw/zinc/51/58/86/572515886.db2.gz SJBBFKSNPMEFHI-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CC[C@H]1C 308051703 572515889 /nfs/dbraw/zinc/51/58/89/572515889.db2.gz SJBBFKSNPMEFHI-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H]([NH3+])CN[C@H]1CC1(C)C 45137933 572516002 /nfs/dbraw/zinc/51/60/02/572516002.db2.gz BRGNORQCKMSQKJ-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H](N)CC[NH2+][C@H]1CC1(C)C 45137941 572516024 /nfs/dbraw/zinc/51/60/24/572516024.db2.gz BWBQQDCCWVBAJI-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137929 572516126 /nfs/dbraw/zinc/51/61/26/572516126.db2.gz BRGNORQCKMSQKJ-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH3+])CCN[C@@H]1CC1(C)C 45137937 572516260 /nfs/dbraw/zinc/51/62/60/572516260.db2.gz BWBQQDCCWVBAJI-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H]1CC1(C)C 45137937 572516263 /nfs/dbraw/zinc/51/62/63/572516263.db2.gz BWBQQDCCWVBAJI-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)[C@H](C(C)(C)C)C1 250684268 572516423 /nfs/dbraw/zinc/51/64/23/572516423.db2.gz FXGZZRXRFZDZFF-RKDXNWHRSA-N 1 3 170.300 1.169 10 0 ADAEHO C[N@H+]1C[C@@H](CN)[C@H](C(C)(C)C)C1 250684268 572516424 /nfs/dbraw/zinc/51/64/24/572516424.db2.gz FXGZZRXRFZDZFF-RKDXNWHRSA-N 1 3 170.300 1.169 10 0 ADAEHO CCC[NH2+]C[C@]1(CC)CCCNC1 62862205 572516656 /nfs/dbraw/zinc/51/66/56/572516656.db2.gz RNJJZTFMJKZOJR-NSHDSACASA-N 1 3 184.327 1.766 10 0 ADAEHO C[NH2+]CCCN(C)[C@H]1CC[C@@H]1C 308051709 572516790 /nfs/dbraw/zinc/51/67/90/572516790.db2.gz SJBBFKSNPMEFHI-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@H+](C)[C@H]1CC[C@@H]1C 308051709 572516793 /nfs/dbraw/zinc/51/67/93/572516793.db2.gz SJBBFKSNPMEFHI-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@H]1CC[C@@H]1C 308051709 572516796 /nfs/dbraw/zinc/51/67/96/572516796.db2.gz SJBBFKSNPMEFHI-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C[C@@H]1CCCCN1)[NH2+]C 238280627 572517133 /nfs/dbraw/zinc/51/71/33/572517133.db2.gz NAVKRCMSHOBODN-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCCNC1 62867926 572517496 /nfs/dbraw/zinc/51/74/96/572517496.db2.gz DUPDMTUEZFNLBT-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@]1(C)CCC[NH2+]C1 62867926 572517500 /nfs/dbraw/zinc/51/75/00/572517500.db2.gz DUPDMTUEZFNLBT-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCCNC1 62867924 572517621 /nfs/dbraw/zinc/51/76/21/572517621.db2.gz DUPDMTUEZFNLBT-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 62867924 572517627 /nfs/dbraw/zinc/51/76/27/572517627.db2.gz DUPDMTUEZFNLBT-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1[C@@H](N)C1CCCC1 250650443 572517985 /nfs/dbraw/zinc/51/79/85/572517985.db2.gz WNZKMDRONJVZLL-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1[C@@H](N)C1CCCC1 250650443 572517988 /nfs/dbraw/zinc/51/79/88/572517988.db2.gz WNZKMDRONJVZLL-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[NH2+]C[C@@]1(CC)CCCNC1 62862206 572518160 /nfs/dbraw/zinc/51/81/60/572518160.db2.gz RNJJZTFMJKZOJR-LLVKDONJSA-N 1 3 184.327 1.766 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H]1CC[C@H](C)C1 308050713 572518180 /nfs/dbraw/zinc/51/81/80/572518180.db2.gz RXJINFTXRJDYGO-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H](N)[C@H](Cc1ccccc1)[NH+](C)C 74268351 572518280 /nfs/dbraw/zinc/51/82/80/572518280.db2.gz BGPRXFFJPVMURB-JQWIXIFHSA-N 1 3 192.306 1.507 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 62867753 572518354 /nfs/dbraw/zinc/51/83/54/572518354.db2.gz WCEJQGDJOBUOQD-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@@]1(C)CCCNC1 62867753 572518360 /nfs/dbraw/zinc/51/83/60/572518360.db2.gz WCEJQGDJOBUOQD-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]([NH3+])c1[nH]c2ncc(C)n2c1C 74268781 572518383 /nfs/dbraw/zinc/51/83/83/572518383.db2.gz YZZBZTYHDUJQEH-QMMMGPOBSA-N 1 3 192.266 1.689 10 0 ADAEHO C[C@@H](N)[C@H](Cc1ccccc1)[NH+](C)C 74268352 572518633 /nfs/dbraw/zinc/51/86/33/572518633.db2.gz BGPRXFFJPVMURB-PWSUYJOCSA-N 1 3 192.306 1.507 10 0 ADAEHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH+](C)C 74268348 572519450 /nfs/dbraw/zinc/51/94/50/572519450.db2.gz BGPRXFFJPVMURB-ZYHUDNBSSA-N 1 3 192.306 1.507 10 0 ADAEHO C[C@H](N)[C@@H](Cc1ccccc1)[NH+](C)C 74268346 572519685 /nfs/dbraw/zinc/51/96/85/572519685.db2.gz BGPRXFFJPVMURB-CMPLNLGQSA-N 1 3 192.306 1.507 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1[C@@H](N)C1CCCC1 250650444 572519848 /nfs/dbraw/zinc/51/98/48/572519848.db2.gz WNZKMDRONJVZLL-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CCCC[C@H]1[C@@H](N)C1CCCC1 250650444 572519850 /nfs/dbraw/zinc/51/98/50/572519850.db2.gz WNZKMDRONJVZLL-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]([NH3+])c1[nH]c2ncc(C)n2c1C 74268783 572519943 /nfs/dbraw/zinc/51/99/43/572519943.db2.gz YZZBZTYHDUJQEH-MRVPVSSYSA-N 1 3 192.266 1.689 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@H]1C1CCCC1 250657481 572521641 /nfs/dbraw/zinc/52/16/41/572521641.db2.gz YCSYAUAPQJXSAI-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@H]1C1CCCC1 250657479 572521867 /nfs/dbraw/zinc/52/18/67/572521867.db2.gz YCSYAUAPQJXSAI-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@H]1C1CCCC1 250657479 572521870 /nfs/dbraw/zinc/52/18/70/572521870.db2.gz YCSYAUAPQJXSAI-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1[C@H](CN)C1CCC1 250666894 572522043 /nfs/dbraw/zinc/52/20/43/572522043.db2.gz ZWRYHJFJLKUWJU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1[C@H](CN)C1CCC1 250666894 572522048 /nfs/dbraw/zinc/52/20/48/572522048.db2.gz ZWRYHJFJLKUWJU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CCCC[C@@H]1[C@H](C[NH3+])C1CCC1 250666894 572522053 /nfs/dbraw/zinc/52/20/53/572522053.db2.gz ZWRYHJFJLKUWJU-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1[C@H](CN)C1CCC1 250666890 572522587 /nfs/dbraw/zinc/52/25/87/572522587.db2.gz ZWRYHJFJLKUWJU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CCCC[C@H]1[C@H](CN)C1CCC1 250666890 572522590 /nfs/dbraw/zinc/52/25/90/572522590.db2.gz ZWRYHJFJLKUWJU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+]CCCN1CCC2(CCCC2)CC1 62952318 572522489 /nfs/dbraw/zinc/52/24/89/572522489.db2.gz UGAPWYAACDPDRS-UHFFFAOYSA-N 1 3 196.338 1.991 10 0 ADAEHO CN1CCCC[C@H]1[C@H](C[NH3+])C1CCC1 250666890 572522592 /nfs/dbraw/zinc/52/25/92/572522592.db2.gz ZWRYHJFJLKUWJU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(C)[N@@H+]1C[C@H]2CCNC[C@H]2C1 250698735 572522822 /nfs/dbraw/zinc/52/28/22/572522822.db2.gz NFQMGDALKSLMLK-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)(C)[N@H+]1C[C@H]2CCNC[C@H]2C1 250698735 572522824 /nfs/dbraw/zinc/52/28/24/572522824.db2.gz NFQMGDALKSLMLK-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1c1ccccc1 250665864 572522878 /nfs/dbraw/zinc/52/28/78/572522878.db2.gz ZRZBICJEHYJQOR-USZNOCQGSA-N 1 3 188.274 1.246 10 0 ADAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1c1ccccc1 250665864 572522880 /nfs/dbraw/zinc/52/28/80/572522880.db2.gz ZRZBICJEHYJQOR-USZNOCQGSA-N 1 3 188.274 1.246 10 0 ADAEHO CCCC(=[NH2+])N[C@H]1CCN2CCC[C@H]12 62992611 572523253 /nfs/dbraw/zinc/52/32/53/572523253.db2.gz ZSOCJEIQLHKEKY-VHSXEESVSA-N 1 3 195.310 1.590 10 0 ADAEHO C[N@@H+]1C[C@H](CN)C[C@H]1C1CCCC1 250664751 572523265 /nfs/dbraw/zinc/52/32/65/572523265.db2.gz ZMIRZHKKQKQBJO-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@H](CN)C[C@H]1C1CCCC1 250664751 572523267 /nfs/dbraw/zinc/52/32/67/572523267.db2.gz ZMIRZHKKQKQBJO-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CC[C@H](c2ccco2)[C@H]1CC[NH3+] 250664638 572523298 /nfs/dbraw/zinc/52/32/98/572523298.db2.gz ZKVDNCACHFBCTD-VHSXEESVSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)C[C@H]1C1CCCC1 250664747 572523391 /nfs/dbraw/zinc/52/33/91/572523391.db2.gz ZMIRZHKKQKQBJO-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@@H](CN)C[C@H]1C1CCCC1 250664747 572523393 /nfs/dbraw/zinc/52/33/93/572523393.db2.gz ZMIRZHKKQKQBJO-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1C1CCCC1 250664078 572523521 /nfs/dbraw/zinc/52/35/21/572523521.db2.gz ZIJJOJWPZSLUAZ-VLEAKVRGSA-N 1 3 180.295 1.064 10 0 ADAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1C1CCCC1 250664078 572523525 /nfs/dbraw/zinc/52/35/25/572523525.db2.gz ZIJJOJWPZSLUAZ-VLEAKVRGSA-N 1 3 180.295 1.064 10 0 ADAEHO CCCC(=[NH2+])N[C@@H]1CCN2CCC[C@H]12 62992610 572523800 /nfs/dbraw/zinc/52/38/00/572523800.db2.gz ZSOCJEIQLHKEKY-NXEZZACHSA-N 1 3 195.310 1.590 10 0 ADAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1C1CCCC1 250664082 572523973 /nfs/dbraw/zinc/52/39/73/572523973.db2.gz ZIJJOJWPZSLUAZ-ZRUFSTJUSA-N 1 3 180.295 1.064 10 0 ADAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1C1CCCC1 250664082 572523976 /nfs/dbraw/zinc/52/39/76/572523976.db2.gz ZIJJOJWPZSLUAZ-ZRUFSTJUSA-N 1 3 180.295 1.064 10 0 ADAEHO CN1CC[C@@H](c2ccco2)[C@H]1CC[NH3+] 250664636 572523988 /nfs/dbraw/zinc/52/39/88/572523988.db2.gz ZKVDNCACHFBCTD-NXEZZACHSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1c1ccccc1 250665866 572524004 /nfs/dbraw/zinc/52/40/04/572524004.db2.gz ZRZBICJEHYJQOR-WHOHXGKFSA-N 1 3 188.274 1.246 10 0 ADAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1c1ccccc1 250665866 572524007 /nfs/dbraw/zinc/52/40/07/572524007.db2.gz ZRZBICJEHYJQOR-WHOHXGKFSA-N 1 3 188.274 1.246 10 0 ADAEHO CC(C)C(=[NH2+])N[C@@H](C)CCN(C)C 62993297 572524305 /nfs/dbraw/zinc/52/43/05/572524305.db2.gz LOYCJIAYLFGNAR-VIFPVBQESA-N 1 3 185.315 1.549 10 0 ADAEHO CC(C)(C)[N@H+]1C[C@@H]2CNCC[C@H]2C1 250698733 572524954 /nfs/dbraw/zinc/52/49/54/572524954.db2.gz NFQMGDALKSLMLK-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)(C)[N@@H+]1C[C@@H]2CNCC[C@H]2C1 250698733 572524957 /nfs/dbraw/zinc/52/49/57/572524957.db2.gz NFQMGDALKSLMLK-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C1=C(c2c[nH]c3ccncc23)CC[NH2+]C1 84298823 572525657 /nfs/dbraw/zinc/52/56/57/572525657.db2.gz JRKXLTJDWQDDOC-UHFFFAOYSA-N 1 3 199.257 1.940 10 0 ADAEHO C[C@H]1C[N@H+](C)[C@@H]2CCCC[C@H]2CN1 250847388 572525881 /nfs/dbraw/zinc/52/58/81/572525881.db2.gz JAMGCTPZONGPGB-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[N@@H+](C)[C@@H]2CCCC[C@H]2CN1 250847388 572525886 /nfs/dbraw/zinc/52/58/86/572525886.db2.gz JAMGCTPZONGPGB-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CN(C)[C@@H]2CCCC[C@H]2C[NH2+]1 250847388 572525890 /nfs/dbraw/zinc/52/58/90/572525890.db2.gz JAMGCTPZONGPGB-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[N@H+](C)[C@H]2CCCC[C@H]2CN1 250847386 572526774 /nfs/dbraw/zinc/52/67/74/572526774.db2.gz JAMGCTPZONGPGB-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[N@@H+](C)[C@H]2CCCC[C@H]2CN1 250847386 572526778 /nfs/dbraw/zinc/52/67/78/572526778.db2.gz JAMGCTPZONGPGB-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CN(C)[C@H]2CCCC[C@H]2C[NH2+]1 250847386 572526786 /nfs/dbraw/zinc/52/67/86/572526786.db2.gz JAMGCTPZONGPGB-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1CCC2(CC2)C1 400039982 572527504 /nfs/dbraw/zinc/52/75/04/572527504.db2.gz MLQBPCNVUICKJZ-JTQLQIEISA-N 1 3 182.311 1.457 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH3+])[C@H]1c1ccccc1 250815244 572527506 /nfs/dbraw/zinc/52/75/06/572527506.db2.gz OCDODMYJWGDSLG-GDNZZTSVSA-N 1 3 190.290 1.609 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1CCC2(CC2)C1 400039982 572527508 /nfs/dbraw/zinc/52/75/08/572527508.db2.gz MLQBPCNVUICKJZ-JTQLQIEISA-N 1 3 182.311 1.457 10 0 ADAEHO N[C@H]1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1 250815244 572527510 /nfs/dbraw/zinc/52/75/10/572527510.db2.gz OCDODMYJWGDSLG-GDNZZTSVSA-N 1 3 190.290 1.609 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1CCC2(CC2)C1 400039984 572527742 /nfs/dbraw/zinc/52/77/42/572527742.db2.gz MLQBPCNVUICKJZ-SNVBAGLBSA-N 1 3 182.311 1.457 10 0 ADAEHO CC[C@H](CN)C[N@H+]1CCC2(CC2)C1 400039984 572527746 /nfs/dbraw/zinc/52/77/46/572527746.db2.gz MLQBPCNVUICKJZ-SNVBAGLBSA-N 1 3 182.311 1.457 10 0 ADAEHO C[C@H]1C[N@H+](C)[C@H]2CCC[C@H]2CN1 250848568 572527862 /nfs/dbraw/zinc/52/78/62/572527862.db2.gz KJNPOXFIUORPDT-GUBZILKMSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[N@@H+](C)[C@H]2CCC[C@H]2CN1 250848568 572527865 /nfs/dbraw/zinc/52/78/65/572527865.db2.gz KJNPOXFIUORPDT-GUBZILKMSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CN(C)[C@H]2CCC[C@H]2C[NH2+]1 250848568 572527868 /nfs/dbraw/zinc/52/78/68/572527868.db2.gz KJNPOXFIUORPDT-GUBZILKMSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H](C[NH3+])NC1C(C)(C)C1(C)C 235124260 572528109 /nfs/dbraw/zinc/52/81/09/572528109.db2.gz KYABYQPTIJFUCG-ZETCQYMHSA-N 1 3 170.300 1.358 10 0 ADAEHO C1CCN2CCC[C@@]3(CC[NH2+]C3)[C@H]2C1 250860908 572528245 /nfs/dbraw/zinc/52/82/45/572528245.db2.gz QFFAWKDAZFWKDR-NEPJUHHUSA-N 1 3 194.322 1.614 10 0 ADAEHO C[C@H]1C[N@H+](C)[C@@H]2CCC[C@H]2CN1 250848571 572528474 /nfs/dbraw/zinc/52/84/74/572528474.db2.gz KJNPOXFIUORPDT-LPEHRKFASA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[N@@H+](C)[C@@H]2CCC[C@H]2CN1 250848571 572528478 /nfs/dbraw/zinc/52/84/78/572528478.db2.gz KJNPOXFIUORPDT-LPEHRKFASA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CN(C)[C@@H]2CCC[C@H]2C[NH2+]1 250848571 572528482 /nfs/dbraw/zinc/52/84/82/572528482.db2.gz KJNPOXFIUORPDT-LPEHRKFASA-N 1 3 168.284 1.079 10 0 ADAEHO N[C@H]1[C@@H]2C[N@@H+](C3CCCCC3)C[C@H]12 250827851 572528656 /nfs/dbraw/zinc/52/86/56/572528656.db2.gz IBDLJHIRMLXLDK-URLYPYJESA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@H]1[C@@H]2C[N@H+](C3CCCCC3)C[C@H]12 250827851 572528659 /nfs/dbraw/zinc/52/86/59/572528659.db2.gz IBDLJHIRMLXLDK-URLYPYJESA-N 1 3 180.295 1.208 10 0 ADAEHO C1CCN2CCC[C@]3(CC[NH2+]C3)[C@H]2C1 250860910 572528964 /nfs/dbraw/zinc/52/89/64/572528964.db2.gz QFFAWKDAZFWKDR-VXGBXAGGSA-N 1 3 194.322 1.614 10 0 ADAEHO C[N@@H+]1C[C@@H](N)[C@H](CC(C)(C)C)C1 250709929 572529468 /nfs/dbraw/zinc/52/94/68/572529468.db2.gz RFFPSGULYDCBBI-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[N@H+]1C[C@@H](N)[C@H](CC(C)(C)C)C1 250709929 572529472 /nfs/dbraw/zinc/52/94/72/572529472.db2.gz RFFPSGULYDCBBI-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CN1CC[C@@H](CC(C)(C)C)[C@H](C[NH3+])C1 250701979 572529678 /nfs/dbraw/zinc/52/96/78/572529678.db2.gz OKVQHEMQMMJCQB-WDEREUQCSA-N 1 3 198.354 1.949 10 0 ADAEHO C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H](N)C1 250713978 572529882 /nfs/dbraw/zinc/52/98/82/572529882.db2.gz SKNKMYPPEHRIEJ-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+]1CC[C@@H](C(C)(C)C)C[C@H](N)C1 250713978 572529887 /nfs/dbraw/zinc/52/98/87/572529887.db2.gz SKNKMYPPEHRIEJ-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](CC(C)(C)C)C1 250704359 572530508 /nfs/dbraw/zinc/53/05/08/572530508.db2.gz PBEBRBYFCBUTMH-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)N=CN2C1CC1 250718550 572530519 /nfs/dbraw/zinc/53/05/19/572530519.db2.gz HOXBXONDCWUDFD-DVVUODLYSA-N 1 3 193.294 1.002 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H]2N=CN(C3CC3)[C@H]2C1 250738718 572530639 /nfs/dbraw/zinc/53/06/39/572530639.db2.gz MCZDIBZYHNIEEX-MIMYLULJSA-N 1 3 193.294 1.002 10 0 ADAEHO CN1CC[C@H](CC(C)(C)C)[C@H](C[NH3+])C1 250701977 572531160 /nfs/dbraw/zinc/53/11/60/572531160.db2.gz OKVQHEMQMMJCQB-GHMZBOCLSA-N 1 3 198.354 1.949 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@H](CC(C)(C)C)C1 250704355 572531657 /nfs/dbraw/zinc/53/16/57/572531657.db2.gz PBEBRBYFCBUTMH-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CN1CC[C@H](C(C)(C)C)[C@H](C[NH3+])C1 250699419 572532188 /nfs/dbraw/zinc/53/21/88/572532188.db2.gz NHUZACWTLFVRAR-ZJUUUORDSA-N 1 3 184.327 1.559 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)[C@@H](CC(C)(C)C)C1 250717420 572531853 /nfs/dbraw/zinc/53/18/53/572531853.db2.gz UJVOEUSPVHLFGD-VHSXEESVSA-N 1 3 184.327 1.559 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H]2[C@H](C1)N=CN2C1CC1 250718551 572532196 /nfs/dbraw/zinc/53/21/96/572532196.db2.gz HOXBXONDCWUDFD-MIMYLULJSA-N 1 3 193.294 1.002 10 0 ADAEHO C[N@H+]1C[C@@H](CN)[C@@H](CC(C)(C)C)C1 250717420 572531857 /nfs/dbraw/zinc/53/18/57/572531857.db2.gz UJVOEUSPVHLFGD-VHSXEESVSA-N 1 3 184.327 1.559 10 0 ADAEHO CN1C[C@@H](C[NH3+])[C@@H](CC(C)(C)C)C1 250717420 572531860 /nfs/dbraw/zinc/53/18/60/572531860.db2.gz UJVOEUSPVHLFGD-VHSXEESVSA-N 1 3 184.327 1.559 10 0 ADAEHO C[N@@H+]1C[C@@H](N)[C@@H](CC(C)(C)C)C1 250709927 572531878 /nfs/dbraw/zinc/53/18/78/572531878.db2.gz RFFPSGULYDCBBI-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[N@H+]1C[C@@H](N)[C@@H](CC(C)(C)C)C1 250709927 572531881 /nfs/dbraw/zinc/53/18/81/572531881.db2.gz RFFPSGULYDCBBI-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H]1CCN 250715330 572531895 /nfs/dbraw/zinc/53/18/95/572531895.db2.gz SXEKOFUUCZWBIW-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H]1CCN 250715330 572531898 /nfs/dbraw/zinc/53/18/98/572531898.db2.gz SXEKOFUUCZWBIW-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H]1CCN 250715327 572531979 /nfs/dbraw/zinc/53/19/79/572531979.db2.gz SXEKOFUUCZWBIW-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+]1CC[C@H](C(C)(C)C)[C@@H]1CCN 250715327 572531983 /nfs/dbraw/zinc/53/19/83/572531983.db2.gz SXEKOFUUCZWBIW-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CN1CC[C@@H](C(C)(C)C)[C@H]([NH3+])CC1 250706204 572532022 /nfs/dbraw/zinc/53/20/22/572532022.db2.gz PWNCHDANUKPFLI-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+]1C[C@@H](CC(C)(C)C)[C@H](CN)C1 250717418 572532082 /nfs/dbraw/zinc/53/20/82/572532082.db2.gz UJVOEUSPVHLFGD-NXEZZACHSA-N 1 3 184.327 1.559 10 0 ADAEHO C[N@@H+]1C[C@@H](CC(C)(C)C)[C@H](CN)C1 250717418 572532084 /nfs/dbraw/zinc/53/20/84/572532084.db2.gz UJVOEUSPVHLFGD-NXEZZACHSA-N 1 3 184.327 1.559 10 0 ADAEHO CN1C[C@@H](CC(C)(C)C)[C@H](C[NH3+])C1 250717418 572532087 /nfs/dbraw/zinc/53/20/87/572532087.db2.gz UJVOEUSPVHLFGD-NXEZZACHSA-N 1 3 184.327 1.559 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](C(C)(C)C)CC1 250706207 572532135 /nfs/dbraw/zinc/53/21/35/572532135.db2.gz PWNCHDANUKPFLI-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H]2N=CN(C3CC3)[C@H]2C1 250738717 572532653 /nfs/dbraw/zinc/53/26/53/572532653.db2.gz MCZDIBZYHNIEEX-IEBDPFPHSA-N 1 3 193.294 1.002 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](C(C)(C)C)C1 250730021 572532500 /nfs/dbraw/zinc/53/25/00/572532500.db2.gz YPGKAIIACZBYIA-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO CN1CC[C@@H](C(C)(C)C)[C@H](C[NH3+])C1 250699416 572532938 /nfs/dbraw/zinc/53/29/38/572532938.db2.gz NHUZACWTLFVRAR-NXEZZACHSA-N 1 3 184.327 1.559 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 250730022 572533130 /nfs/dbraw/zinc/53/31/30/572533130.db2.gz YPGKAIIACZBYIA-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C/C=C/C[N@@H+]1CCCC[C@H]1[C@@H](C)N 63195775 572535024 /nfs/dbraw/zinc/53/50/24/572535024.db2.gz ICZQDBUYSWSQDT-YHROSDCASA-N 1 3 182.311 1.764 10 0 ADAEHO C/C=C/C[N@H+]1CCCC[C@H]1[C@@H](C)N 63195775 572535027 /nfs/dbraw/zinc/53/50/27/572535027.db2.gz ICZQDBUYSWSQDT-YHROSDCASA-N 1 3 182.311 1.764 10 0 ADAEHO C[N@@H+]1CC(C)(C)NC[C@@H]2CCC[C@H]21 250795873 572535090 /nfs/dbraw/zinc/53/50/90/572535090.db2.gz MCRDVTHCMAYYFC-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1CC(C)(C)NC[C@@H]2CCC[C@H]21 250795873 572535093 /nfs/dbraw/zinc/53/50/93/572535093.db2.gz MCRDVTHCMAYYFC-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CN1CC(C)(C)[NH2+]C[C@@H]2CCC[C@H]21 250795873 572535095 /nfs/dbraw/zinc/53/50/95/572535095.db2.gz MCRDVTHCMAYYFC-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@H]1CCCN(C)C1 74282184 572535103 /nfs/dbraw/zinc/53/51/03/572535103.db2.gz QUYVSBDUDKFJDO-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+]1CC(C)(C)NC[C@@H]2CCC[C@@H]21 250795872 572536225 /nfs/dbraw/zinc/53/62/25/572536225.db2.gz MCRDVTHCMAYYFC-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1CC(C)(C)NC[C@@H]2CCC[C@@H]21 250795872 572536227 /nfs/dbraw/zinc/53/62/27/572536227.db2.gz MCRDVTHCMAYYFC-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CN1CC(C)(C)[NH2+]C[C@@H]2CCC[C@@H]21 250795872 572536231 /nfs/dbraw/zinc/53/62/31/572536231.db2.gz MCRDVTHCMAYYFC-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)(C)[C@@H](CCN)[NH+]1CCCC1 74282190 572536680 /nfs/dbraw/zinc/53/66/80/572536680.db2.gz WYYBQINOUHSMHR-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C/C=C/C[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63195774 572536702 /nfs/dbraw/zinc/53/67/02/572536702.db2.gz ICZQDBUYSWSQDT-YIZUVKHSSA-N 1 3 182.311 1.764 10 0 ADAEHO C/C=C/C[N@H+]1CCCC[C@@H]1[C@@H](C)N 63195774 572536705 /nfs/dbraw/zinc/53/67/05/572536705.db2.gz ICZQDBUYSWSQDT-YIZUVKHSSA-N 1 3 182.311 1.764 10 0 ADAEHO CC(C)[C@@H](CCN)[NH+]1CCCCC1 74282199 572536721 /nfs/dbraw/zinc/53/67/21/572536721.db2.gz LAZQPMCHPQHRSY-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@]([NH3+])(CNC)Cc1ccccc1 238296522 572537010 /nfs/dbraw/zinc/53/70/10/572537010.db2.gz PVQWQFNEYKSHOA-GFCCVEGCSA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@H]1CCC[C@H](C[NH2+]CCCN)C1 84341751 572537478 /nfs/dbraw/zinc/53/74/78/572537478.db2.gz NYHRISMKNBQZCF-QWRGUYRKSA-N 1 3 184.327 1.751 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@H]1CCCN(C)C1 74282181 572537491 /nfs/dbraw/zinc/53/74/91/572537491.db2.gz QUYVSBDUDKFJDO-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1CCC(C[NH2+]CCCN)CC1 84339292 572537741 /nfs/dbraw/zinc/53/77/41/572537741.db2.gz LUZSAIXXSGJKRK-UHFFFAOYSA-N 1 3 184.327 1.751 10 0 ADAEHO CC(C)(C)[C@H](CCN)[NH+]1CCCC1 74282193 572537980 /nfs/dbraw/zinc/53/79/80/572537980.db2.gz WYYBQINOUHSMHR-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO c1coc(CNCC[C@@H]2CC[NH2+]C2)c1 84384961 572538153 /nfs/dbraw/zinc/53/81/53/572538153.db2.gz NZEVUKQYWNGCPN-JTQLQIEISA-N 1 3 194.278 1.369 10 0 ADAEHO C[C@H]1C[C@@](C)([NH3+])C[C@@H](C)N1C 250917560 572538453 /nfs/dbraw/zinc/53/84/53/572538453.db2.gz YHWJCXWQRKRARM-BRPSZJMVSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]1C[C@](C)([NH3+])C[C@@H](C)N1C 250917556 572538480 /nfs/dbraw/zinc/53/84/80/572538480.db2.gz YHWJCXWQRKRARM-AYMMMOKOSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](N)[C@@H](C)[C@H](C1CC1)[NH+](C)C 74282293 572538515 /nfs/dbraw/zinc/53/85/15/572538515.db2.gz QQHXNZSAHYFMIC-DVVUODLYSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H]([NH3+])[C@@H](C)[C@H](C1CC1)N(C)C 74282293 572538519 /nfs/dbraw/zinc/53/85/19/572538519.db2.gz QQHXNZSAHYFMIC-DVVUODLYSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)CC[C@H](C[NH3+])N1CCCC1 74282288 572538739 /nfs/dbraw/zinc/53/87/39/572538739.db2.gz PCJZTKRXFRJPFL-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCC[C@@H](C[NH2+]CCCN)C1 84341755 572538920 /nfs/dbraw/zinc/53/89/20/572538920.db2.gz NYHRISMKNBQZCF-GHMZBOCLSA-N 1 3 184.327 1.751 10 0 ADAEHO CC[N@H+](C)C[C@@H](N)CC1CCCC1 74282427 572539099 /nfs/dbraw/zinc/53/90/99/572539099.db2.gz QJQIIQVNLGLMEL-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)C[C@@H](N)CC1CCCC1 74282427 572539103 /nfs/dbraw/zinc/53/91/03/572539103.db2.gz QJQIIQVNLGLMEL-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[C@@H](C[NH3+])N1CCCC1 74282282 572539361 /nfs/dbraw/zinc/53/93/61/572539361.db2.gz PCJZTKRXFRJPFL-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO c1coc(CNCC[C@H]2CC[NH2+]C2)c1 84384966 572539371 /nfs/dbraw/zinc/53/93/71/572539371.db2.gz NZEVUKQYWNGCPN-SNVBAGLBSA-N 1 3 194.278 1.369 10 0 ADAEHO C[C@@H]1CCC[C@H](C[NH2+]CCCN)C1 84341749 572539454 /nfs/dbraw/zinc/53/94/54/572539454.db2.gz NYHRISMKNBQZCF-MNOVXSKESA-N 1 3 184.327 1.751 10 0 ADAEHO C[C@H]1CCC[C@@H](C[NH2+]CCCN)C1 84341756 572539675 /nfs/dbraw/zinc/53/96/75/572539675.db2.gz NYHRISMKNBQZCF-WDEREUQCSA-N 1 3 184.327 1.751 10 0 ADAEHO C[C@H]([C@H](N)CC1CCCC1)[NH+](C)C 74282210 572539774 /nfs/dbraw/zinc/53/97/74/572539774.db2.gz IYLOUSXWOYXTFQ-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CNCCC[NH2+]CC1CC(C2CC2)C1 714486843 572540087 /nfs/dbraw/zinc/54/00/87/572540087.db2.gz ACUOQARBQKWRSR-UHFFFAOYSA-N 1 3 196.338 1.622 10 0 ADAEHO CC[N@H+](C)C[C@H](N)CC1CCCC1 74282423 572540208 /nfs/dbraw/zinc/54/02/08/572540208.db2.gz QJQIIQVNLGLMEL-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)C[C@H](N)CC1CCCC1 74282423 572540211 /nfs/dbraw/zinc/54/02/11/572540211.db2.gz QJQIIQVNLGLMEL-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[C@H](N)C[NH+]1CCCC1 74282265 572540284 /nfs/dbraw/zinc/54/02/84/572540284.db2.gz IEADWOJLQAPIDO-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[C@H](C1CC1)[NH+](C)C 74282296 572540453 /nfs/dbraw/zinc/54/04/53/572540453.db2.gz QQHXNZSAHYFMIC-FBIMIBRVSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@@H]([NH3+])[C@@H](C)[C@H](C1CC1)N(C)C 74282296 572540459 /nfs/dbraw/zinc/54/04/59/572540459.db2.gz QQHXNZSAHYFMIC-FBIMIBRVSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)CC[C@@H](N)C[NH+]1CCCC1 74282270 572540923 /nfs/dbraw/zinc/54/09/23/572540923.db2.gz IEADWOJLQAPIDO-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([C@@H](N)CC1CCCC1)[NH+](C)C 74282217 572540996 /nfs/dbraw/zinc/54/09/96/572540996.db2.gz IYLOUSXWOYXTFQ-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([C@@H](N)CC1CCCC1)[NH+](C)C 74282213 572541147 /nfs/dbraw/zinc/54/11/47/572541147.db2.gz IYLOUSXWOYXTFQ-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([C@H](N)CC1CCCC1)[NH+](C)C 74282207 572541447 /nfs/dbraw/zinc/54/14/47/572541447.db2.gz IYLOUSXWOYXTFQ-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](CCN)[NH+]1CCCCC1 74282203 572541494 /nfs/dbraw/zinc/54/14/94/572541494.db2.gz LAZQPMCHPQHRSY-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H]1[C@H](C)N(C)[C@H](C)C[C@H]1[NH3+] 251220476 572547628 /nfs/dbraw/zinc/54/76/28/572547628.db2.gz YNOGTUXXXJKRRV-VPOLOUISSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@H]1[C@H](C)[N@H+](C)[C@@H](C)C[C@H]1N 251220480 572546685 /nfs/dbraw/zinc/54/66/85/572546685.db2.gz YNOGTUXXXJKRRV-XWLWVQCSSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@H]1[C@H](C)[N@@H+](C)[C@@H](C)C[C@H]1N 251220480 572546691 /nfs/dbraw/zinc/54/66/91/572546691.db2.gz YNOGTUXXXJKRRV-XWLWVQCSSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@H]1[C@H](C)N(C)[C@@H](C)C[C@H]1[NH3+] 251220480 572546695 /nfs/dbraw/zinc/54/66/95/572546695.db2.gz YNOGTUXXXJKRRV-XWLWVQCSSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@@H]1[C@H]([NH3+])C[C@H](C)N(C)[C@@H]1C 251220484 572548387 /nfs/dbraw/zinc/54/83/87/572548387.db2.gz YNOGTUXXXJKRRV-ZRUFSTJUSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)CC[N@@H+]1CC[C@@H](CN)C1 238309934 572547391 /nfs/dbraw/zinc/54/73/91/572547391.db2.gz XOYVMXOPKDYGSQ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](C)CC[N@H+]1CC[C@@H](CN)C1 238309934 572547395 /nfs/dbraw/zinc/54/73/95/572547395.db2.gz XOYVMXOPKDYGSQ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H]1[C@H](C)[N@H+](C)[C@H](C)C[C@H]1N 251220476 572547625 /nfs/dbraw/zinc/54/76/25/572547625.db2.gz YNOGTUXXXJKRRV-VPOLOUISSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@H]1[C@H](C)[N@@H+](C)[C@H](C)C[C@H]1N 251220476 572547627 /nfs/dbraw/zinc/54/76/27/572547627.db2.gz YNOGTUXXXJKRRV-VPOLOUISSA-N 1 3 184.327 1.843 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@@H]1CC(C)(C)C 74282122 572551086 /nfs/dbraw/zinc/55/10/86/572551086.db2.gz VRVKOPSFAPTJAI-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H]1[C@H](N)C[C@H](C)[N@@H+](C)[C@@H]1C 251220484 572548382 /nfs/dbraw/zinc/54/83/82/572548382.db2.gz YNOGTUXXXJKRRV-ZRUFSTJUSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@@H]1[C@H](N)C[C@H](C)[N@H+](C)[C@@H]1C 251220484 572548384 /nfs/dbraw/zinc/54/83/84/572548384.db2.gz YNOGTUXXXJKRRV-ZRUFSTJUSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](F)CCN(C)C[C@H]1CC[NH2+]C1 251230473 572548494 /nfs/dbraw/zinc/54/84/94/572548494.db2.gz QFAXJGMBYWSHKN-UWVGGRQHSA-N 1 3 188.290 1.276 10 0 ADAEHO CC[C@H](C)CCN1CCC([NH3+])CC1 238309890 572548674 /nfs/dbraw/zinc/54/86/74/572548674.db2.gz ICZLHMSGLUFSCH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)CC[NH+]1CCC(N)CC1 238309890 572548678 /nfs/dbraw/zinc/54/86/78/572548678.db2.gz ICZLHMSGLUFSCH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H]1[C@H](N)C[C@@H](C)[N@@H+](C)[C@@H]1C 251220471 572549343 /nfs/dbraw/zinc/54/93/43/572549343.db2.gz YNOGTUXXXJKRRV-CHWFTXMASA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@@H]1[C@H](N)C[C@@H](C)[N@H+](C)[C@@H]1C 251220471 572549347 /nfs/dbraw/zinc/54/93/47/572549347.db2.gz YNOGTUXXXJKRRV-CHWFTXMASA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@@H]1[C@H]([NH3+])C[C@@H](C)N(C)[C@@H]1C 251220471 572549349 /nfs/dbraw/zinc/54/93/49/572549349.db2.gz YNOGTUXXXJKRRV-CHWFTXMASA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](F)CCN(C)C[C@H]1CC[NH2+]C1 251230476 572549440 /nfs/dbraw/zinc/54/94/40/572549440.db2.gz QFAXJGMBYWSHKN-ZJUUUORDSA-N 1 3 188.290 1.276 10 0 ADAEHO C/C=C/CN1CCC[C@H]([C@@H](C)[NH3+])C1 69626917 572550303 /nfs/dbraw/zinc/55/03/03/572550303.db2.gz DMYTUFYMSHZCLQ-YHROSDCASA-N 1 3 182.311 1.622 10 0 ADAEHO CC(C)CC[C@H]1C[C@@H]([NH3+])CCN1C 74282147 572550326 /nfs/dbraw/zinc/55/03/26/572550326.db2.gz PXAFXAPKPJUGTI-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@@H]1CC(C)(C)C 74282122 572551082 /nfs/dbraw/zinc/55/10/82/572551082.db2.gz VRVKOPSFAPTJAI-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@@H]1CC(C)(C)C 74282122 572551091 /nfs/dbraw/zinc/55/10/91/572551091.db2.gz VRVKOPSFAPTJAI-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)C[C@H]1C[C@H]1C 69627277 572551254 /nfs/dbraw/zinc/55/12/54/572551254.db2.gz NFWJNYMKCJYRQR-HBNTYKKESA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)C[C@H]1C[C@H]1C 69627277 572551256 /nfs/dbraw/zinc/55/12/56/572551256.db2.gz NFWJNYMKCJYRQR-HBNTYKKESA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)C[C@H]1C[C@H]1C 69627277 572551260 /nfs/dbraw/zinc/55/12/60/572551260.db2.gz NFWJNYMKCJYRQR-HBNTYKKESA-N 1 3 184.327 1.430 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@@H]1CCCN(C)C1 74282175 572551321 /nfs/dbraw/zinc/55/13/21/572551321.db2.gz QUYVSBDUDKFJDO-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH+](C)CCCCNCc1cnco1 84414843 572551350 /nfs/dbraw/zinc/55/13/50/572551350.db2.gz ZYBSSWLTYGPUOW-UHFFFAOYSA-N 1 3 197.282 1.106 10 0 ADAEHO C[N@@H+]1CC[C@H](N)C[C@H]1CC(C)(C)C 74282126 572551653 /nfs/dbraw/zinc/55/16/53/572551653.db2.gz VRVKOPSFAPTJAI-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@H+]1CC[C@H](N)C[C@H]1CC(C)(C)C 74282126 572551657 /nfs/dbraw/zinc/55/16/57/572551657.db2.gz VRVKOPSFAPTJAI-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CN1CC[C@H]([NH3+])C[C@H]1CC(C)(C)C 74282126 572551662 /nfs/dbraw/zinc/55/16/62/572551662.db2.gz VRVKOPSFAPTJAI-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@@H]1C[C@@H]([NH3+])CCN1C 74282144 572551898 /nfs/dbraw/zinc/55/18/98/572551898.db2.gz PXAFXAPKPJUGTI-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CCC[N@@H+]1C(C)C 74282167 572552036 /nfs/dbraw/zinc/55/20/36/572552036.db2.gz AUJPXYSSRHOLHS-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CCC[N@H+]1C(C)C 74282167 572552040 /nfs/dbraw/zinc/55/20/40/572552040.db2.gz AUJPXYSSRHOLHS-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@H]([NH3+])[C@H]1CCN(C)C1 74282062 572552110 /nfs/dbraw/zinc/55/21/10/572552110.db2.gz KQUGOPVEJKSHGE-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[C@@H]([NH3+])[C@H]1CCN(C)C1 74282066 572552323 /nfs/dbraw/zinc/55/23/23/572552323.db2.gz KQUGOPVEJKSHGE-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@H]1CC(C)(C)C 74282118 572552491 /nfs/dbraw/zinc/55/24/91/572552491.db2.gz VRVKOPSFAPTJAI-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@H]1CC(C)(C)C 74282118 572552494 /nfs/dbraw/zinc/55/24/94/572552494.db2.gz VRVKOPSFAPTJAI-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@H]1CC(C)(C)C 74282118 572552498 /nfs/dbraw/zinc/55/24/98/572552498.db2.gz VRVKOPSFAPTJAI-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@H]1C[C@H]([NH3+])CCN1C 74282139 572552714 /nfs/dbraw/zinc/55/27/14/572552714.db2.gz PXAFXAPKPJUGTI-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@@H]1CC[C@H](N)C[N@H+]1C 74282102 572552764 /nfs/dbraw/zinc/55/27/64/572552764.db2.gz WBUSMNJJNYIADL-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@@H]1CC[C@H](N)C[N@@H+]1C 74282102 572552760 /nfs/dbraw/zinc/55/27/60/572552760.db2.gz WBUSMNJJNYIADL-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@H]([NH3+])[C@@H]1CCN(C)C1 74282056 572553374 /nfs/dbraw/zinc/55/33/74/572553374.db2.gz KQUGOPVEJKSHGE-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@@H]1CCCN(C)C1 74282179 572553824 /nfs/dbraw/zinc/55/38/24/572553824.db2.gz QUYVSBDUDKFJDO-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[C@H]1CC[C@@H](N)C[N@@H+]1C 74282115 572553894 /nfs/dbraw/zinc/55/38/94/572553894.db2.gz WBUSMNJJNYIADL-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@H]1CC[C@@H](N)C[N@H+]1C 74282115 572553899 /nfs/dbraw/zinc/55/38/99/572553899.db2.gz WBUSMNJJNYIADL-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO C/C=C/CN1CCC[C@@H]([C@@H](C)[NH3+])C1 69626919 572554089 /nfs/dbraw/zinc/55/40/89/572554089.db2.gz DMYTUFYMSHZCLQ-YIZUVKHSSA-N 1 3 182.311 1.622 10 0 ADAEHO CC(C)CC[C@@H]1CC[C@@H](N)C[N@@H+]1C 74282110 572554161 /nfs/dbraw/zinc/55/41/61/572554161.db2.gz WBUSMNJJNYIADL-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@@H]1CC[C@@H](N)C[N@H+]1C 74282110 572554165 /nfs/dbraw/zinc/55/41/65/572554165.db2.gz WBUSMNJJNYIADL-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC 84443070 572554425 /nfs/dbraw/zinc/55/44/25/572554425.db2.gz XLBHGMYTQULJKK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCC[C@@H]1CNC 84443070 572554427 /nfs/dbraw/zinc/55/44/27/572554427.db2.gz XLBHGMYTQULJKK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)CC[C@H]1CC[C@H](N)C[N@@H+]1C 74282106 572554469 /nfs/dbraw/zinc/55/44/69/572554469.db2.gz WBUSMNJJNYIADL-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@H]1CC[C@H](N)C[N@H+]1C 74282106 572554472 /nfs/dbraw/zinc/55/44/72/572554472.db2.gz WBUSMNJJNYIADL-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[C@@H]1C[C@H]([NH3+])CCN1C 74282134 572554637 /nfs/dbraw/zinc/55/46/37/572554637.db2.gz PXAFXAPKPJUGTI-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@H]1CCN(C2(C[NH3+])CC2)C1 307809264 572557158 /nfs/dbraw/zinc/55/71/58/572557158.db2.gz INFCYBCIRXLBHI-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@](C[NH3+])(C1CC1)N1CCC1 308061587 572557736 /nfs/dbraw/zinc/55/77/36/572557736.db2.gz WPVNKBLZOFXULZ-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@@H]1CNC 84443071 572555981 /nfs/dbraw/zinc/55/59/81/572555981.db2.gz XLBHGMYTQULJKK-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@@H]1CNC 84443071 572555985 /nfs/dbraw/zinc/55/59/85/572555985.db2.gz XLBHGMYTQULJKK-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)C[C@H]1CCN([C@H](C)C[NH3+])C1 307814083 572562098 /nfs/dbraw/zinc/56/20/98/572562098.db2.gz LHBYUAPIPJENDK-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H]1[C@H]2[NH2+]CC[C@@H]2CN1C1CC1 251332547 572557308 /nfs/dbraw/zinc/55/73/08/572557308.db2.gz OPCSVCJDEFQRST-ADEWGFFLSA-N 1 3 194.322 1.467 10 0 ADAEHO CC[C@@](C[NH3+])(C1CC1)N1CCC1 308061598 572558349 /nfs/dbraw/zinc/55/83/49/572558349.db2.gz WPVNKBLZOFXULZ-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CN1C1CC1 251332548 572558626 /nfs/dbraw/zinc/55/86/26/572558626.db2.gz OPCSVCJDEFQRST-YUSALJHKSA-N 1 3 194.322 1.467 10 0 ADAEHO CC(C)C[C@@H]1CCN(C2(C[NH3+])CC2)C1 307809265 572558630 /nfs/dbraw/zinc/55/86/30/572558630.db2.gz INFCYBCIRXLBHI-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@H]([NH3+])CSCCN(C)C 87542093 572558975 /nfs/dbraw/zinc/55/89/75/572558975.db2.gz JYFVNADHDUOUOO-SECBINFHSA-N 1 3 190.356 1.265 10 0 ADAEHO CC1CC[NH+](C[C@H]2CCC[C@@H]2N)CC1 53860962 572559454 /nfs/dbraw/zinc/55/94/54/572559454.db2.gz HOHWBXDFDGCTQX-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H]1N 53861504 572560362 /nfs/dbraw/zinc/56/03/62/572560362.db2.gz DNDKFCQEHZKYSD-SRVKXCTJSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H]1N 53861504 572560368 /nfs/dbraw/zinc/56/03/68/572560368.db2.gz DNDKFCQEHZKYSD-SRVKXCTJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)C[C@@H]1CCN([C@H](C)C[NH3+])C1 307814084 572560417 /nfs/dbraw/zinc/56/04/17/572560417.db2.gz LHBYUAPIPJENDK-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H]1CC[N@H+](C[C@H](C)CN)C1 307814151 572560485 /nfs/dbraw/zinc/56/04/85/572560485.db2.gz LLHHMWAEDQJHRN-VXGBXAGGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@H]1CC[N@@H+](C[C@H](C)CN)C1 307814151 572560487 /nfs/dbraw/zinc/56/04/87/572560487.db2.gz LLHHMWAEDQJHRN-VXGBXAGGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H]1CCN([C@@H](C)C[NH3+])C1 307814086 572560564 /nfs/dbraw/zinc/56/05/64/572560564.db2.gz LHBYUAPIPJENDK-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1CC[NH+](C[C@@H]2CCC[C@H]2N)CC1 53860964 572560581 /nfs/dbraw/zinc/56/05/81/572560581.db2.gz HOHWBXDFDGCTQX-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[C@@H]1CC[N@H+](C[C@@H](C)CN)C1 307814150 572560842 /nfs/dbraw/zinc/56/08/42/572560842.db2.gz LLHHMWAEDQJHRN-RYUDHWBXSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CN)C1 307814150 572560846 /nfs/dbraw/zinc/56/08/46/572560846.db2.gz LLHHMWAEDQJHRN-RYUDHWBXSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H]1N 53861502 572561099 /nfs/dbraw/zinc/56/10/99/572561099.db2.gz DNDKFCQEHZKYSD-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H]1N 53861502 572561104 /nfs/dbraw/zinc/56/11/04/572561104.db2.gz DNDKFCQEHZKYSD-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1CC[NH+](C[C@@H]2CCC[C@@H]2N)CC1 53860960 572561600 /nfs/dbraw/zinc/56/16/00/572561600.db2.gz HOHWBXDFDGCTQX-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2C[NH2+]C[C@H]2CCN1C 251297882 572561611 /nfs/dbraw/zinc/56/16/11/572561611.db2.gz HLKPVDMOJJCQSG-GMTAPVOTSA-N 1 3 182.311 1.182 10 0 ADAEHO CC(C)[C@@H]([NH3+])CSCCN(C)C 87542094 572561665 /nfs/dbraw/zinc/56/16/65/572561665.db2.gz JYFVNADHDUOUOO-VIFPVBQESA-N 1 3 190.356 1.265 10 0 ADAEHO CC(C)C[C@H]1CC[N@H+](C[C@@H](C)CN)C1 307814148 572561675 /nfs/dbraw/zinc/56/16/75/572561675.db2.gz LLHHMWAEDQJHRN-NWDGAFQWSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@H]1CC[N@@H+](C[C@@H](C)CN)C1 307814148 572561680 /nfs/dbraw/zinc/56/16/80/572561680.db2.gz LLHHMWAEDQJHRN-NWDGAFQWSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[C@H]1CCN([C@@H](C)C[NH3+])C1 307814087 572561820 /nfs/dbraw/zinc/56/18/20/572561820.db2.gz LHBYUAPIPJENDK-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H]1C[C@]1([NH3+])[C@H]1CCCN(C)C1 251296867 572561867 /nfs/dbraw/zinc/56/18/67/572561867.db2.gz HFBJFZKHJCRBRS-SRVKXCTJSA-N 1 3 196.338 1.702 10 0 ADAEHO CCC[C@@H]1CCN(C)CC[C@H]1[NH3+] 251296386 572562010 /nfs/dbraw/zinc/56/20/10/572562010.db2.gz GYRZLVCOABHQPA-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H]1CCN(C)CC[C@H]1[NH3+] 251296389 572562210 /nfs/dbraw/zinc/56/22/10/572562210.db2.gz GYRZLVCOABHQPA-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@@H]1C[C@@]1([NH3+])[C@H]1CCCN(C)C1 251296863 572562968 /nfs/dbraw/zinc/56/29/68/572562968.db2.gz HFBJFZKHJCRBRS-SDDRHHMPSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1[C@H]2C[NH2+]C[C@H]2CCN1C 251297887 572563325 /nfs/dbraw/zinc/56/33/25/572563325.db2.gz HLKPVDMOJJCQSG-OUAUKWLOSA-N 1 3 182.311 1.182 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H](N)C1 222830127 572563367 /nfs/dbraw/zinc/56/33/67/572563367.db2.gz ZAXQNWUHODSOEQ-IVZWLZJFSA-N 1 3 170.300 1.502 10 0 ADAEHO CN[C@@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)C(C)C 87530754 572563387 /nfs/dbraw/zinc/56/33/87/572563387.db2.gz VPFDMTZXJIKEOP-TUAOUCFPSA-N 1 3 198.354 1.818 10 0 ADAEHO CN[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)C(C)C 87530754 572563389 /nfs/dbraw/zinc/56/33/89/572563389.db2.gz VPFDMTZXJIKEOP-TUAOUCFPSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN(C)C2CC2)C1 53865387 572563490 /nfs/dbraw/zinc/56/34/90/572563490.db2.gz BHMXCJDYAIWOHZ-SCVCMEIPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH3+])[C@H](CN(C)C2CC2)C1 53865391 572563628 /nfs/dbraw/zinc/56/36/28/572563628.db2.gz BHMXCJDYAIWOHZ-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH3+] 251302500 572563718 /nfs/dbraw/zinc/56/37/18/572563718.db2.gz HSAAACOKJQCYPW-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@@H]1CN(C)[C@H](C)C[C@H]1[NH3+] 251302510 572563781 /nfs/dbraw/zinc/56/37/81/572563781.db2.gz HSAAACOKJQCYPW-OPRDCNLKSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH3+] 251302505 572564049 /nfs/dbraw/zinc/56/40/49/572564049.db2.gz HSAAACOKJQCYPW-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CN[C@@H](C[NH+]1C[C@H](C)[C@@H](C)C1)C(C)C 87530756 572564886 /nfs/dbraw/zinc/56/48/86/572564886.db2.gz VPFDMTZXJIKEOP-SRVKXCTJSA-N 1 3 198.354 1.818 10 0 ADAEHO C[N@H+](C[C@H]1CCC[C@@H]1N)C1CCCC1 53865746 572565148 /nfs/dbraw/zinc/56/51/48/572565148.db2.gz RMXSKDFASZRAKY-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C[C@H]1CCC[C@@H]1N)C1CCCC1 53865746 572565151 /nfs/dbraw/zinc/56/51/51/572565151.db2.gz RMXSKDFASZRAKY-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H]2N)C1 53861942 572565334 /nfs/dbraw/zinc/56/53/34/572565334.db2.gz SVMUEPDSVOVIJK-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H]2N)C1 53861942 572565342 /nfs/dbraw/zinc/56/53/42/572565342.db2.gz SVMUEPDSVOVIJK-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](C)[C@H]1CCN 251374085 572565488 /nfs/dbraw/zinc/56/54/88/572565488.db2.gz GMPSNAXXJJCLEM-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](C)[C@H]1CCN 251374085 572565490 /nfs/dbraw/zinc/56/54/90/572565490.db2.gz GMPSNAXXJJCLEM-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CCN(C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53865173 572565504 /nfs/dbraw/zinc/56/55/04/572565504.db2.gz UTAIEUWCNMINIX-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H]1CCN(C)CC[C@H]1[NH3+] 251350131 572565750 /nfs/dbraw/zinc/56/57/50/572565750.db2.gz BGTQKXKHUOLZLY-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[N@H+](C)C[C@@H]1CCC[C@@H]1N 53865815 572565961 /nfs/dbraw/zinc/56/59/61/572565961.db2.gz YYYOEOOADGFIAK-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@@H]1CCC[C@@H]1N 53865815 572565965 /nfs/dbraw/zinc/56/59/65/572565965.db2.gz YYYOEOOADGFIAK-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@H+](C)C[C@H]1CCC[C@@H]1N 53862398 572566119 /nfs/dbraw/zinc/56/61/19/572566119.db2.gz QXFIJIUIRLGPES-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)C[C@H]1CCC[C@@H]1N 53862398 572566124 /nfs/dbraw/zinc/56/61/24/572566124.db2.gz QXFIJIUIRLGPES-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)N(C)C[C@H]1CCC[C@@H]1[NH3+] 53862398 572566128 /nfs/dbraw/zinc/56/61/28/572566128.db2.gz QXFIJIUIRLGPES-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+](C)C[C@@H]1CCC[C@@H]1N 53862396 572566205 /nfs/dbraw/zinc/56/62/05/572566205.db2.gz QXFIJIUIRLGPES-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@H]1CCC[C@@H]1N 53862396 572566206 /nfs/dbraw/zinc/56/62/06/572566206.db2.gz QXFIJIUIRLGPES-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)N(C)C[C@@H]1CCC[C@@H]1[NH3+] 53862396 572566209 /nfs/dbraw/zinc/56/62/09/572566209.db2.gz QXFIJIUIRLGPES-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H]1CN(C)CCC[C@H]1[NH3+] 251375301 572568196 /nfs/dbraw/zinc/56/81/96/572568196.db2.gz GTIZTBPOIFMUAM-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[N@H+](C[C@@H]1CCC[C@@H]1N)C1CCCC1 53865745 572566316 /nfs/dbraw/zinc/56/63/16/572566316.db2.gz RMXSKDFASZRAKY-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C[C@@H]1CCC[C@@H]1N)C1CCCC1 53865745 572566320 /nfs/dbraw/zinc/56/63/20/572566320.db2.gz RMXSKDFASZRAKY-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C/C=C/CN1C[C@H](C[NH3+])CC[C@@H]1C 69729331 572566534 /nfs/dbraw/zinc/56/65/34/572566534.db2.gz DFGWDZBNOMMOSS-SEUFLZDSSA-N 1 3 182.311 1.622 10 0 ADAEHO CCC[C@@H]1CCN(C)C[C@H]1C[NH3+] 251348350 572566671 /nfs/dbraw/zinc/56/66/71/572566671.db2.gz NJLPPBOUCYVQFX-NXEZZACHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1C[C@@H](CN)CC[C@H]1C 69727544 572566836 /nfs/dbraw/zinc/56/68/36/572566836.db2.gz QXTQZKFOVPPHPZ-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1C[C@@H](CN)CC[C@H]1C 69727544 572566839 /nfs/dbraw/zinc/56/68/39/572566839.db2.gz QXTQZKFOVPPHPZ-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)CCC[C@H]1N 251375302 572566856 /nfs/dbraw/zinc/56/68/56/572566856.db2.gz GTIZTBPOIFMUAM-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)CCC[C@H]1N 251375302 572566858 /nfs/dbraw/zinc/56/68/58/572566858.db2.gz GTIZTBPOIFMUAM-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]1CN(C)CCC[C@H]1[NH3+] 251375302 572566862 /nfs/dbraw/zinc/56/68/62/572566862.db2.gz GTIZTBPOIFMUAM-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@@H]1CC[N@H+](C(C)C)C[C@H]1N 251343673 572568977 /nfs/dbraw/zinc/56/89/77/572568977.db2.gz MPJXRMNDHMCMKO-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@H]1CCN(C)C[C@H]1C[NH3+] 251346778 572566959 /nfs/dbraw/zinc/56/69/59/572566959.db2.gz AREOQVGEEBDRQT-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](CN)CC[C@@H]1C 69727863 572567568 /nfs/dbraw/zinc/56/75/68/572567568.db2.gz UPZHAHUFWRRYII-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CCN(C)CC[C@H]1[NH3+] 251350132 572567523 /nfs/dbraw/zinc/56/75/23/572567523.db2.gz BGTQKXKHUOLZLY-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)CC[C@@H]1C 69727863 572567563 /nfs/dbraw/zinc/56/75/63/572567563.db2.gz UPZHAHUFWRRYII-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](C(C)C)C[C@H]1N 251386695 572571915 /nfs/dbraw/zinc/57/19/15/572571915.db2.gz IVDJCKYFEWBVHD-GHMZBOCLSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](C(C)C)C[C@H]1N 251386695 572571917 /nfs/dbraw/zinc/57/19/17/572571917.db2.gz IVDJCKYFEWBVHD-GHMZBOCLSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)CCC[C@H]1N 251375301 572568189 /nfs/dbraw/zinc/56/81/89/572568189.db2.gz GTIZTBPOIFMUAM-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)CCC[C@H]1N 251375301 572568192 /nfs/dbraw/zinc/56/81/92/572568192.db2.gz GTIZTBPOIFMUAM-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]([NH3+])[C@@H]1CCCN2CCCC[C@@H]12 251538223 572568428 /nfs/dbraw/zinc/56/84/28/572568428.db2.gz KSRGLYBEVIFBPV-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@H]1CCN(C)C[C@H]1C[NH3+] 251348352 572568521 /nfs/dbraw/zinc/56/85/21/572568521.db2.gz NJLPPBOUCYVQFX-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO C/C=C/CN1C[C@@H](C[NH3+])CC[C@@H]1C 69729334 572568541 /nfs/dbraw/zinc/56/85/41/572568541.db2.gz DFGWDZBNOMMOSS-MJKAUQOVSA-N 1 3 182.311 1.622 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](C)[C@H]1CCN 251374086 572568609 /nfs/dbraw/zinc/56/86/09/572568609.db2.gz GMPSNAXXJJCLEM-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](C)[C@H]1CCN 251374086 572568617 /nfs/dbraw/zinc/56/86/17/572568617.db2.gz GMPSNAXXJJCLEM-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@H]1CC[N@@H+](C(C)C)C[C@H]1N 251343677 572568948 /nfs/dbraw/zinc/56/89/48/572568948.db2.gz MPJXRMNDHMCMKO-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H]1CC[N@H+](C(C)C)C[C@H]1N 251343677 572568952 /nfs/dbraw/zinc/56/89/52/572568952.db2.gz MPJXRMNDHMCMKO-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H]1CC[N@@H+](C(C)C)C[C@H]1N 251343673 572568974 /nfs/dbraw/zinc/56/89/74/572568974.db2.gz MPJXRMNDHMCMKO-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1C[C@H](CN)CC[C@H]1C 69727547 572569534 /nfs/dbraw/zinc/56/95/34/572569534.db2.gz QXTQZKFOVPPHPZ-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1C[C@H](CN)CC[C@H]1C 69727547 572569538 /nfs/dbraw/zinc/56/95/38/572569538.db2.gz QXTQZKFOVPPHPZ-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1CCCC[C@@H]1CCN 69720607 572569709 /nfs/dbraw/zinc/56/97/09/572569709.db2.gz JLODAZDHRMSTBC-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1CCCC[C@@H]1CCN 69720607 572569713 /nfs/dbraw/zinc/56/97/13/572569713.db2.gz JLODAZDHRMSTBC-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]([NH3+])[C@H]1CCCN2CCCC[C@@H]12 251538217 572570081 /nfs/dbraw/zinc/57/00/81/572570081.db2.gz KSRGLYBEVIFBPV-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@@H]1CN[C@@H]2CCC[C@H]2C[N@@H+]1C 251423729 572570705 /nfs/dbraw/zinc/57/07/05/572570705.db2.gz QMCCHWRSSPUCGY-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1CN[C@@H]2CCC[C@H]2C[N@H+]1C 251423729 572570708 /nfs/dbraw/zinc/57/07/08/572570708.db2.gz QMCCHWRSSPUCGY-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[NH2+][C@@H]2CCC[C@H]2CN1C 251423729 572570712 /nfs/dbraw/zinc/57/07/12/572570712.db2.gz QMCCHWRSSPUCGY-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+]2CCCC[C@H]2CCN1 251419397 572570745 /nfs/dbraw/zinc/57/07/45/572570745.db2.gz PLSUYAONUJBEPX-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H]1C[N@H+]2CCCC[C@H]2CCN1 251419397 572570748 /nfs/dbraw/zinc/57/07/48/572570748.db2.gz PLSUYAONUJBEPX-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H]1CN2CCCC[C@H]2CC[NH2+]1 251419397 572570750 /nfs/dbraw/zinc/57/07/50/572570750.db2.gz PLSUYAONUJBEPX-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@@H]1CCN(C)CC[C@H]1[NH3+] 251383859 572570947 /nfs/dbraw/zinc/57/09/47/572570947.db2.gz IESPJRXWHYPHMX-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H]1CCN(C)CC[C@H]1[NH3+] 251383858 572571385 /nfs/dbraw/zinc/57/13/85/572571385.db2.gz IESPJRXWHYPHMX-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1N 251386699 572571570 /nfs/dbraw/zinc/57/15/70/572571570.db2.gz IVDJCKYFEWBVHD-WDEREUQCSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](C(C)C)C[C@H]1N 251386699 572571574 /nfs/dbraw/zinc/57/15/74/572571574.db2.gz IVDJCKYFEWBVHD-WDEREUQCSA-N 1 3 184.327 1.700 10 0 ADAEHO CCC[C@H]1CCC[N@H+](C)C[C@H]1N 251409802 572571851 /nfs/dbraw/zinc/57/18/51/572571851.db2.gz WVPHRTDFKAJJSY-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H]1CCC[N@@H+](C)C[C@H]1N 251409802 572571856 /nfs/dbraw/zinc/57/18/56/572571856.db2.gz WVPHRTDFKAJJSY-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CN[C@@H](C)C(C)(C)C[N@@H+]1CC[C@H](C)C1 251543845 572572149 /nfs/dbraw/zinc/57/21/49/572572149.db2.gz BQGMKLNMOVEEPN-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@@H](C)C(C)(C)C[N@H+]1CC[C@H](C)C1 251543845 572572152 /nfs/dbraw/zinc/57/21/52/572572152.db2.gz BQGMKLNMOVEEPN-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](C[NH3+])CN1CCSC[C@@H]1C 69760697 572572350 /nfs/dbraw/zinc/57/23/50/572572350.db2.gz ACGHZOCIAAEXHP-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](C[NH3+])CN1CCSC[C@H]1C 69760696 572572397 /nfs/dbraw/zinc/57/23/97/572572397.db2.gz ACGHZOCIAAEXHP-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO CC(C)[C@H]1CCN(C)C[C@H]1C[NH3+] 251381394 572572412 /nfs/dbraw/zinc/57/24/12/572572412.db2.gz HQDJBQBNUSQNLZ-NXEZZACHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@@H]1C[N@H+](C)C[C@H]1CN 251408914 572572497 /nfs/dbraw/zinc/57/24/97/572572497.db2.gz NJMAASSLFLSRKI-NXEZZACHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@@H]1C[N@@H+](C)C[C@H]1CN 251408914 572572501 /nfs/dbraw/zinc/57/25/01/572572501.db2.gz NJMAASSLFLSRKI-NXEZZACHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@@H]1CN(C)C[C@H]1C[NH3+] 251408914 572572503 /nfs/dbraw/zinc/57/25/03/572572503.db2.gz NJMAASSLFLSRKI-NXEZZACHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+](C)C[C@H]1N 251391143 572572670 /nfs/dbraw/zinc/57/26/70/572572670.db2.gz JWBZMQGEKMSRIC-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+](C)C[C@H]1N 251391143 572572675 /nfs/dbraw/zinc/57/26/75/572572675.db2.gz JWBZMQGEKMSRIC-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@H]1C[N@H+](C)C[C@H]1CN 251408915 572572839 /nfs/dbraw/zinc/57/28/39/572572839.db2.gz NJMAASSLFLSRKI-VHSXEESVSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@H]1C[N@@H+](C)C[C@H]1CN 251408915 572572843 /nfs/dbraw/zinc/57/28/43/572572843.db2.gz NJMAASSLFLSRKI-VHSXEESVSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[C@H]1CN(C)C[C@H]1C[NH3+] 251408915 572572847 /nfs/dbraw/zinc/57/28/47/572572847.db2.gz NJMAASSLFLSRKI-VHSXEESVSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)[C@@H]1CN[C@H]2CCC[C@H]2C[N@@H+]1C 251423728 572573078 /nfs/dbraw/zinc/57/30/78/572573078.db2.gz QMCCHWRSSPUCGY-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1CN[C@H]2CCC[C@H]2C[N@H+]1C 251423728 572573082 /nfs/dbraw/zinc/57/30/82/572573082.db2.gz QMCCHWRSSPUCGY-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[NH2+][C@H]2CCC[C@H]2CN1C 251423728 572573084 /nfs/dbraw/zinc/57/30/84/572573084.db2.gz QMCCHWRSSPUCGY-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1C 251433732 572573160 /nfs/dbraw/zinc/57/31/60/572573160.db2.gz SSOLPAYDGUXACS-GARJFASQSA-N 1 3 182.311 1.182 10 0 ADAEHO CC(C)[C@H]1C[N@@H+]2CCCC[C@H]2CCN1 251419395 572573216 /nfs/dbraw/zinc/57/32/16/572573216.db2.gz PLSUYAONUJBEPX-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H]1C[N@H+]2CCCC[C@H]2CCN1 251419395 572573221 /nfs/dbraw/zinc/57/32/21/572573221.db2.gz PLSUYAONUJBEPX-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H]1CN2CCCC[C@H]2CC[NH2+]1 251419395 572573223 /nfs/dbraw/zinc/57/32/23/572573223.db2.gz PLSUYAONUJBEPX-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](N)C1 308064966 572573367 /nfs/dbraw/zinc/57/33/67/572573367.db2.gz XPGCKJFKNNYJCF-PGLGOXFNSA-N 1 3 182.311 1.766 10 0 ADAEHO CC/C=C/CC[N@H+]1CCC[C@@H](N)C1 308064966 572573370 /nfs/dbraw/zinc/57/33/70/572573370.db2.gz XPGCKJFKNNYJCF-PGLGOXFNSA-N 1 3 182.311 1.766 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1C 251433736 572573385 /nfs/dbraw/zinc/57/33/85/572573385.db2.gz SSOLPAYDGUXACS-HBNTYKKESA-N 1 3 182.311 1.182 10 0 ADAEHO CC(C)[C@@H]1CCN(C)C[C@H]1C[NH3+] 251381397 572573409 /nfs/dbraw/zinc/57/34/09/572573409.db2.gz HQDJBQBNUSQNLZ-ZJUUUORDSA-N 1 3 170.300 1.169 10 0 ADAEHO CC/C=C/CC[N@@H+]1CCC[C@H](N)C1 308064967 572573444 /nfs/dbraw/zinc/57/34/44/572573444.db2.gz XPGCKJFKNNYJCF-UFFNRZRYSA-N 1 3 182.311 1.766 10 0 ADAEHO CC/C=C/CC[N@H+]1CCC[C@H](N)C1 308064967 572573448 /nfs/dbraw/zinc/57/34/48/572573448.db2.gz XPGCKJFKNNYJCF-UFFNRZRYSA-N 1 3 182.311 1.766 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+](C)C[C@H]1N 251391146 572573792 /nfs/dbraw/zinc/57/37/92/572573792.db2.gz JWBZMQGEKMSRIC-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+](C)C[C@H]1N 251391146 572573794 /nfs/dbraw/zinc/57/37/94/572573794.db2.gz JWBZMQGEKMSRIC-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H]1C[C@]1([NH3+])[C@H]1CCCN(C)C1 251480331 572576211 /nfs/dbraw/zinc/57/62/11/572576211.db2.gz CEVCQFARSAMBTO-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C/C=C/C[NH2+]C[C@H]1CCN(C2CC2)C1 232464193 572576494 /nfs/dbraw/zinc/57/64/94/572576494.db2.gz DSWXBONDUVLKCQ-KXMPLOMGSA-N 1 3 194.322 1.636 10 0 ADAEHO C/C=C/CNC[C@H]1CC[N@@H+](C2CC2)C1 232464193 572576500 /nfs/dbraw/zinc/57/65/00/572576500.db2.gz DSWXBONDUVLKCQ-KXMPLOMGSA-N 1 3 194.322 1.636 10 0 ADAEHO C/C=C/CNC[C@H]1CC[N@H+](C2CC2)C1 232464193 572576505 /nfs/dbraw/zinc/57/65/05/572576505.db2.gz DSWXBONDUVLKCQ-KXMPLOMGSA-N 1 3 194.322 1.636 10 0 ADAEHO CC[C@@H]1C[C@@]1([NH3+])[C@H]1CCCN(C)C1 251480333 572576521 /nfs/dbraw/zinc/57/65/21/572576521.db2.gz CEVCQFARSAMBTO-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH+](C)CCC[C@@H](N)c1ccco1 74300481 572584209 /nfs/dbraw/zinc/58/42/09/572584209.db2.gz JXURRAJWWWNGFF-SECBINFHSA-N 1 3 182.267 1.621 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCCC(C)(C)C1 69793243 572580830 /nfs/dbraw/zinc/58/08/30/572580830.db2.gz NOSYESWELWEVLY-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@@H+]1CCCC(C)(C)C1 69793243 572580832 /nfs/dbraw/zinc/58/08/32/572580832.db2.gz NOSYESWELWEVLY-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@H+]1CCCC(C)(C)C1 69793243 572580835 /nfs/dbraw/zinc/58/08/35/572580835.db2.gz NOSYESWELWEVLY-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CC[C@H]2CN(C)CC[C@H]2[NH2+]1 251574343 572578571 /nfs/dbraw/zinc/57/85/71/572578571.db2.gz BUFNBMZFJKHCBW-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@@H]2CN(C)CC[C@H]2[NH2+]1 251574351 572578767 /nfs/dbraw/zinc/57/87/67/572578767.db2.gz BUFNBMZFJKHCBW-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]([NH3+])CCN1CCCC(C)(C)C1 69793241 572579582 /nfs/dbraw/zinc/57/95/82/572579582.db2.gz NOSYESWELWEVLY-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CCCC(C)(C)C1 69793241 572579586 /nfs/dbraw/zinc/57/95/86/572579586.db2.gz NOSYESWELWEVLY-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@H+]1CCCC(C)(C)C1 69793241 572579590 /nfs/dbraw/zinc/57/95/90/572579590.db2.gz NOSYESWELWEVLY-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@@H+]1C[C@@H](N)C[C@H](C2CCCC2)C1 74300007 572582943 /nfs/dbraw/zinc/58/29/43/572582943.db2.gz OWDYNZAGDPEVQS-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@@H](N)C[C@H](C2CCCC2)C1 74300007 572582946 /nfs/dbraw/zinc/58/29/46/572582946.db2.gz OWDYNZAGDPEVQS-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H]1C[C@@H]1CNC(C)(C)C[NH2+]C 313053465 572583061 /nfs/dbraw/zinc/58/30/61/572583061.db2.gz DIPPUCTYXLXGQL-VHSXEESVSA-N 1 3 184.327 1.620 10 0 ADAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1C1CCCC1 74300012 572583439 /nfs/dbraw/zinc/58/34/39/572583439.db2.gz BWTKOFPUHXBHIT-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]1CC[C@H](N)C[C@@H]1C1CCCC1 74300012 572583442 /nfs/dbraw/zinc/58/34/42/572583442.db2.gz BWTKOFPUHXBHIT-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CC[C@H]([NH3+])C[C@@H]1C1CCCC1 74300012 572583445 /nfs/dbraw/zinc/58/34/45/572583445.db2.gz BWTKOFPUHXBHIT-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO NCC[C@H](C1CC1)[NH+]1CCCCC1 74300027 572583833 /nfs/dbraw/zinc/58/38/33/572583833.db2.gz RAPBDCVXIVMXQN-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO CN1CCC[NH2+][C@H]2CCCC[C@@H]2C1 74300016 572584865 /nfs/dbraw/zinc/58/48/65/572584865.db2.gz YCLARTYBIVFRBI-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CN1CCC[NH2+][C@@H]2CCCC[C@@H]2C1 74300014 572585263 /nfs/dbraw/zinc/58/52/63/572585263.db2.gz YCLARTYBIVFRBI-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO NCC[C@@H](C1CC1)[NH+]1CCCCC1 74300026 572585570 /nfs/dbraw/zinc/58/55/70/572585570.db2.gz RAPBDCVXIVMXQN-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H](C[NH2+]C1CCC1)CN(C)C 308072585 572592387 /nfs/dbraw/zinc/59/23/87/572592387.db2.gz CCIAXPQFSIBFPT-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@@H]1C1CCCC1 74300013 572586335 /nfs/dbraw/zinc/58/63/35/572586335.db2.gz BWTKOFPUHXBHIT-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@@H]1C1CCCC1 74300013 572586338 /nfs/dbraw/zinc/58/63/38/572586338.db2.gz BWTKOFPUHXBHIT-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@@H]1C1CCCC1 74300013 572586341 /nfs/dbraw/zinc/58/63/41/572586341.db2.gz BWTKOFPUHXBHIT-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CCNCC[NH2+][C@@H](C)CC(F)F 308068490 572586522 /nfs/dbraw/zinc/58/65/22/572586522.db2.gz AAMYOUGWHLOLKD-ZETCQYMHSA-N 1 3 180.242 1.229 10 0 ADAEHO CS[C@H](C)CCN[C@@H](C)[C@H](C)[NH3+] 308068438 572586973 /nfs/dbraw/zinc/58/69/73/572586973.db2.gz AMUJMDOCCQHKRA-VGMNWLOBSA-N 1 3 190.356 1.453 10 0 ADAEHO CCNCC[NH2+][C@H](C)CC(F)F 308068478 572587760 /nfs/dbraw/zinc/58/77/60/572587760.db2.gz AAMYOUGWHLOLKD-SSDOTTSWSA-N 1 3 180.242 1.229 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403136439 572588368 /nfs/dbraw/zinc/58/83/68/572588368.db2.gz BUNGKVQMHMGTBO-WTPMCQDGSA-N 1 3 196.338 1.748 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@@H]1CC[C@H]2C[C@H]2C1 403112936 572588933 /nfs/dbraw/zinc/58/89/33/572588933.db2.gz IQVKGLZYXSQHKW-WISYIIOYSA-N 1 3 196.338 1.620 10 0 ADAEHO CS[C@H](C)CCN[C@H](C)[C@@H](C)[NH3+] 308068435 572589339 /nfs/dbraw/zinc/58/93/39/572589339.db2.gz AMUJMDOCCQHKRA-IWSPIJDZSA-N 1 3 190.356 1.453 10 0 ADAEHO CS[C@H](C)CCN[C@@H](C)[C@@H](C)[NH3+] 308068429 572589594 /nfs/dbraw/zinc/58/95/94/572589594.db2.gz AMUJMDOCCQHKRA-HLTSFMKQSA-N 1 3 190.356 1.453 10 0 ADAEHO C[C@H](C[NH2+]C1CCC1)CN(C)C 308072569 572592028 /nfs/dbraw/zinc/59/20/28/572592028.db2.gz CCIAXPQFSIBFPT-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403188093 572592991 /nfs/dbraw/zinc/59/29/91/572592991.db2.gz UIDJZTOHLDRSLZ-GARJFASQSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CC2)C[C@@H](C)N1 251619874 572594755 /nfs/dbraw/zinc/59/47/55/572594755.db2.gz HNCWAVVYUFFRMA-RKDXNWHRSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CC2)C[C@@H](C)N1 251619874 572594759 /nfs/dbraw/zinc/59/47/59/572594759.db2.gz HNCWAVVYUFFRMA-RKDXNWHRSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CC2)C[C@@H](C)N1 251619870 572595352 /nfs/dbraw/zinc/59/53/52/572595352.db2.gz HNCWAVVYUFFRMA-DTWKUNHWSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@H+](C2CC2)C[C@@H](C)N1 251619870 572595356 /nfs/dbraw/zinc/59/53/56/572595356.db2.gz HNCWAVVYUFFRMA-DTWKUNHWSA-N 1 3 168.284 1.221 10 0 ADAEHO CC[C@H]1CCC[N@H+](C)C[C@H]1N 251660949 572597246 /nfs/dbraw/zinc/59/72/46/572597246.db2.gz HASQBNUDKVMNFH-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1CCC[N@@H+](C)C[C@H]1N 251660949 572597249 /nfs/dbraw/zinc/59/72/49/572597249.db2.gz HASQBNUDKVMNFH-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@H+](C)C[C@](C)(N)C1 251605322 572597675 /nfs/dbraw/zinc/59/76/75/572597675.db2.gz GMLAVKPPXOSAAC-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@@H+](C)C[C@](C)(N)C1 251605322 572597678 /nfs/dbraw/zinc/59/76/78/572597678.db2.gz GMLAVKPPXOSAAC-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+](C)C[C@](C)(N)C1 251605326 572598275 /nfs/dbraw/zinc/59/82/75/572598275.db2.gz GMLAVKPPXOSAAC-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+](C)C[C@](C)(N)C1 251605326 572598279 /nfs/dbraw/zinc/59/82/79/572598279.db2.gz GMLAVKPPXOSAAC-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H](C)[NH2+]C[C@@H](CN)C(C)C 230932062 572599585 /nfs/dbraw/zinc/59/95/85/572599585.db2.gz BDQIAYBRBPQQDM-WDEREUQCSA-N 1 3 186.343 1.996 10 0 ADAEHO CCSCCC[NH2+]C[C@H](C)CN 308071387 572601073 /nfs/dbraw/zinc/60/10/73/572601073.db2.gz BNZIFHKLCMNJJA-SECBINFHSA-N 1 3 190.356 1.314 10 0 ADAEHO CCSCCC[NH2+]C[C@@H](C)CN 308071392 572602403 /nfs/dbraw/zinc/60/24/03/572602403.db2.gz BNZIFHKLCMNJJA-VIFPVBQESA-N 1 3 190.356 1.314 10 0 ADAEHO COC[C@H](C)N(CCC[NH3+])C(C)C 69901805 572603514 /nfs/dbraw/zinc/60/35/14/572603514.db2.gz PEDCBOMJWAJRNC-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO COC[C@H](C)[N@H+](CCCN)C(C)C 69901805 572603519 /nfs/dbraw/zinc/60/35/19/572603519.db2.gz PEDCBOMJWAJRNC-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO COC[C@H](C)[N@@H+](CCCN)C(C)C 69901805 572603523 /nfs/dbraw/zinc/60/35/23/572603523.db2.gz PEDCBOMJWAJRNC-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@@H]2CCC[C@H]2N1 251674991 572608925 /nfs/dbraw/zinc/60/89/25/572608925.db2.gz HNPHWFDTVIZNJT-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@H]2CCC[C@H]2N1 251674996 572607409 /nfs/dbraw/zinc/60/74/09/572607409.db2.gz HNPHWFDTVIZNJT-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@H]2CCC[C@H]2N1 251674996 572607415 /nfs/dbraw/zinc/60/74/15/572607415.db2.gz HNPHWFDTVIZNJT-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)=CCNCCC(C)(C)[NH3+] 308073719 572607694 /nfs/dbraw/zinc/60/76/94/572607694.db2.gz CKVUNMIMMVQTJT-UHFFFAOYSA-N 1 3 170.300 1.670 10 0 ADAEHO C[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCCN1C 251680980 572609308 /nfs/dbraw/zinc/60/93/08/572609308.db2.gz ALCFYSPAKODPJJ-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@]1(N)C[C@H]1CCCC[N@@H+]1C 251680980 572609309 /nfs/dbraw/zinc/60/93/09/572609309.db2.gz ALCFYSPAKODPJJ-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@]1(N)C[C@H]1CCCC[N@H+]1C 251680980 572609312 /nfs/dbraw/zinc/60/93/12/572609312.db2.gz ALCFYSPAKODPJJ-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H](CNCC[NH2+]C)CC(C)C 308073337 572608364 /nfs/dbraw/zinc/60/83/64/572608364.db2.gz LJZWCYNFYGOCHL-LLVKDONJSA-N 1 3 186.343 1.868 10 0 ADAEHO N[C@@H](C[NH3+])CCCCc1ccccc1 72172269 572608837 /nfs/dbraw/zinc/60/88/37/572608837.db2.gz XYKJRDDDFNUAKC-GFCCVEGCSA-N 1 3 192.306 1.685 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@@H]2CCC[C@H]2N1 251674991 572608930 /nfs/dbraw/zinc/60/89/30/572608930.db2.gz HNPHWFDTVIZNJT-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[C@]1([NH3+])C[C@H]1CCCCN1C 251680984 572610321 /nfs/dbraw/zinc/61/03/21/572610321.db2.gz ALCFYSPAKODPJJ-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@]1(N)C[C@H]1CCCC[N@@H+]1C 251680984 572610324 /nfs/dbraw/zinc/61/03/24/572610324.db2.gz ALCFYSPAKODPJJ-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@]1(N)C[C@H]1CCCC[N@H+]1C 251680984 572610328 /nfs/dbraw/zinc/61/03/28/572610328.db2.gz ALCFYSPAKODPJJ-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@H]2CCC[C@@H]2N1 251674985 572609651 /nfs/dbraw/zinc/60/96/51/572609651.db2.gz HNPHWFDTVIZNJT-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@H]2CCC[C@@H]2N1 251674985 572609656 /nfs/dbraw/zinc/60/96/56/572609656.db2.gz HNPHWFDTVIZNJT-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H](CNCC[NH2+]C)CC(C)C 308073339 572610032 /nfs/dbraw/zinc/61/00/32/572610032.db2.gz LJZWCYNFYGOCHL-NSHDSACASA-N 1 3 186.343 1.868 10 0 ADAEHO CC[C@@H]1[C@H](C)C[C@@H](CN)C[N@@H+]1C 251674064 572610267 /nfs/dbraw/zinc/61/02/67/572610267.db2.gz OVQFTEBKHRJKFN-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H]1[C@H](C)C[C@@H](CN)C[N@H+]1C 251674064 572610269 /nfs/dbraw/zinc/61/02/69/572610269.db2.gz OVQFTEBKHRJKFN-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H]1[C@@H](C)C[C@@H](CN)C[N@@H+]1C 251674066 572610381 /nfs/dbraw/zinc/61/03/81/572610381.db2.gz OVQFTEBKHRJKFN-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H]1[C@@H](C)C[C@@H](CN)C[N@H+]1C 251674066 572610384 /nfs/dbraw/zinc/61/03/84/572610384.db2.gz OVQFTEBKHRJKFN-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCCCC[C@@H]1C 69944412 572612569 /nfs/dbraw/zinc/61/25/69/572612569.db2.gz OZFBYFPOPRPRDU-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCCCC[C@@H]1C 69944412 572612572 /nfs/dbraw/zinc/61/25/72/572612572.db2.gz OZFBYFPOPRPRDU-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO Cn1ccnc1NCCCCCC[NH3+] 236079269 572612848 /nfs/dbraw/zinc/61/28/48/572612848.db2.gz SGCGRWYYXAXHCS-UHFFFAOYSA-N 1 3 196.298 1.351 10 0 ADAEHO C[C@H]1CCCCC[N@H+]1CC[C@@H](C)N 69944784 572613425 /nfs/dbraw/zinc/61/34/25/572613425.db2.gz ACDJUPRDOHVYJX-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCCCC[N@@H+]1CC[C@@H](C)N 69944784 572613429 /nfs/dbraw/zinc/61/34/29/572613429.db2.gz ACDJUPRDOHVYJX-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCCCC[C@H]1C 69944410 572614016 /nfs/dbraw/zinc/61/40/16/572614016.db2.gz OZFBYFPOPRPRDU-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCCCC[C@H]1C 69944410 572614022 /nfs/dbraw/zinc/61/40/22/572614022.db2.gz OZFBYFPOPRPRDU-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@@H+]1CCCCC[C@H]1C 69944783 572614802 /nfs/dbraw/zinc/61/48/02/572614802.db2.gz ACDJUPRDOHVYJX-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](N)CC[N@H+]1CCCCC[C@H]1C 69944783 572614807 /nfs/dbraw/zinc/61/48/07/572614807.db2.gz ACDJUPRDOHVYJX-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H]1[C@H](C)C[N@H+](C)C[C@H]1CN 251702060 572614877 /nfs/dbraw/zinc/61/48/77/572614877.db2.gz QQMCSABJHNXCQD-OPRDCNLKSA-N 1 3 170.300 1.169 10 0 ADAEHO CC[C@@H]1[C@H](C)C[N@@H+](C)C[C@H]1CN 251702060 572614880 /nfs/dbraw/zinc/61/48/80/572614880.db2.gz QQMCSABJHNXCQD-OPRDCNLKSA-N 1 3 170.300 1.169 10 0 ADAEHO CC[C@@H]1[C@H](C)CN(C)C[C@H]1C[NH3+] 251702060 572614881 /nfs/dbraw/zinc/61/48/81/572614881.db2.gz QQMCSABJHNXCQD-OPRDCNLKSA-N 1 3 170.300 1.169 10 0 ADAEHO Cc1nc(C[C@H]([NH3+])C(C)C)c(C)[nH]1 74301448 572615933 /nfs/dbraw/zinc/61/59/33/572615933.db2.gz KHVVSSFFSKNIHX-VIFPVBQESA-N 1 3 181.283 1.552 10 0 ADAEHO Cc1nc(C[C@@H]([NH3+])C(C)C)c(C)[nH]1 74301450 572617018 /nfs/dbraw/zinc/61/70/18/572617018.db2.gz KHVVSSFFSKNIHX-SECBINFHSA-N 1 3 181.283 1.552 10 0 ADAEHO C[C@@H](CN)[C@H]1CCCC[N@@H+]1C 83268931 572618719 /nfs/dbraw/zinc/61/87/19/572618719.db2.gz LTYWUDMSVDHAMV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CN)[C@H]1CCCC[N@H+]1C 83268931 572618723 /nfs/dbraw/zinc/61/87/23/572618723.db2.gz LTYWUDMSVDHAMV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](C[NH3+])[C@H]1CCCCN1C 83268931 572618725 /nfs/dbraw/zinc/61/87/25/572618725.db2.gz LTYWUDMSVDHAMV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CN)[C@@H]1CCCC[N@@H+]1C 83268930 572618895 /nfs/dbraw/zinc/61/88/95/572618895.db2.gz LTYWUDMSVDHAMV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CN)[C@@H]1CCCC[N@H+]1C 83268930 572618899 /nfs/dbraw/zinc/61/88/99/572618899.db2.gz LTYWUDMSVDHAMV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](C[NH3+])[C@@H]1CCCCN1C 83268930 572618901 /nfs/dbraw/zinc/61/89/01/572618901.db2.gz LTYWUDMSVDHAMV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCCC[NH2+][C@H]1CCNC[C@@H]1C 166416529 572619235 /nfs/dbraw/zinc/61/92/35/572619235.db2.gz DFAPGHIXBQFKPZ-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CCCCC[NH2+][C@@H]1CCNC[C@@H]1C 166416419 572619330 /nfs/dbraw/zinc/61/93/30/572619330.db2.gz DFAPGHIXBQFKPZ-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@H](CN)[C@H]1CCCC[N@@H+]1C 83268932 572620294 /nfs/dbraw/zinc/62/02/94/572620294.db2.gz LTYWUDMSVDHAMV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CN)[C@H]1CCCC[N@H+]1C 83268932 572620297 /nfs/dbraw/zinc/62/02/97/572620297.db2.gz LTYWUDMSVDHAMV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](C[NH3+])[C@H]1CCCCN1C 83268932 572620301 /nfs/dbraw/zinc/62/03/01/572620301.db2.gz LTYWUDMSVDHAMV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[C@@H]1[C@H]([NH3+])CCN(C)[C@@H]1C 74310711 572622793 /nfs/dbraw/zinc/62/27/93/572622793.db2.gz NZJKPOXNMRORMD-BBBLOLIVSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1[C@H](N)CC[N@H+](C)[C@@H]1C 74310711 572622796 /nfs/dbraw/zinc/62/27/96/572622796.db2.gz NZJKPOXNMRORMD-BBBLOLIVSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1[C@H](N)CC[N@@H+](C)[C@@H]1C 74310711 572622800 /nfs/dbraw/zinc/62/28/00/572622800.db2.gz NZJKPOXNMRORMD-BBBLOLIVSA-N 1 3 170.300 1.310 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H]1CCCN(C)C1 74310646 572622855 /nfs/dbraw/zinc/62/28/55/572622855.db2.gz QTWREBBREVANBX-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@H]1[C@H](C)N(C)CC[C@H]1[NH3+] 74310713 572623014 /nfs/dbraw/zinc/62/30/14/572623014.db2.gz NZJKPOXNMRORMD-AEJSXWLSSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@H]1[C@H](C)[N@@H+](C)CC[C@H]1N 74310713 572623019 /nfs/dbraw/zinc/62/30/19/572623019.db2.gz NZJKPOXNMRORMD-AEJSXWLSSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@H]1[C@H](C)[N@H+](C)CC[C@H]1N 74310713 572623026 /nfs/dbraw/zinc/62/30/26/572623026.db2.gz NZJKPOXNMRORMD-AEJSXWLSSA-N 1 3 170.300 1.310 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H]1CCCN(C)C1 74310650 572623153 /nfs/dbraw/zinc/62/31/53/572623153.db2.gz QTWREBBREVANBX-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@@H]1CN(C)[C@H](C)C[C@H]1[NH3+] 74310722 572623180 /nfs/dbraw/zinc/62/31/80/572623180.db2.gz MBSCLYQIDTVECD-KXUCPTDWSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N 74310722 572623185 /nfs/dbraw/zinc/62/31/85/572623185.db2.gz MBSCLYQIDTVECD-KXUCPTDWSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N 74310722 572623189 /nfs/dbraw/zinc/62/31/89/572623189.db2.gz MBSCLYQIDTVECD-KXUCPTDWSA-N 1 3 170.300 1.310 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H](C)N1CCCC1 74310701 572623269 /nfs/dbraw/zinc/62/32/69/572623269.db2.gz BSQLLACSHPDGPA-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@H]([NH3+])[C@H]1CCCN(C)C1 74310647 572623350 /nfs/dbraw/zinc/62/33/50/572623350.db2.gz QTWREBBREVANBX-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[NH+](C)[C@@H](CCN)C1CCCC1 74310693 572623372 /nfs/dbraw/zinc/62/33/72/572623372.db2.gz NRDXXEJZTZEPBN-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)[C@@H](CC[NH3+])C1CCCC1 74310693 572623374 /nfs/dbraw/zinc/62/33/74/572623374.db2.gz NRDXXEJZTZEPBN-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)[C@@H](CCN)C(C)C 74309841 572623529 /nfs/dbraw/zinc/62/35/29/572623529.db2.gz FKYOHABVVIGKJX-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[NH+](CC)[C@H](CCN)C(C)C 74309843 572623625 /nfs/dbraw/zinc/62/36/25/572623625.db2.gz FKYOHABVVIGKJX-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH3+] 74310719 572624030 /nfs/dbraw/zinc/62/40/30/572624030.db2.gz MBSCLYQIDTVECD-UTLUCORTSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N 74310719 572624033 /nfs/dbraw/zinc/62/40/33/572624033.db2.gz MBSCLYQIDTVECD-UTLUCORTSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N 74310719 572624034 /nfs/dbraw/zinc/62/40/34/572624034.db2.gz MBSCLYQIDTVECD-UTLUCORTSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH3+] 74310720 572624061 /nfs/dbraw/zinc/62/40/61/572624061.db2.gz MBSCLYQIDTVECD-GUBZILKMSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N 74310720 572624064 /nfs/dbraw/zinc/62/40/64/572624064.db2.gz MBSCLYQIDTVECD-GUBZILKMSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N 74310720 572624066 /nfs/dbraw/zinc/62/40/66/572624066.db2.gz MBSCLYQIDTVECD-GUBZILKMSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)C[C@H]1C[C@@H]([NH3+])CCN1C 74310680 572624100 /nfs/dbraw/zinc/62/41/00/572624100.db2.gz JZNPJBWSOSUVQO-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@H]1C[C@@H](N)CC[N@@H+]1C 74310680 572624102 /nfs/dbraw/zinc/62/41/02/572624102.db2.gz JZNPJBWSOSUVQO-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@H]1C[C@@H](N)CC[N@H+]1C 74310680 572624104 /nfs/dbraw/zinc/62/41/04/572624104.db2.gz JZNPJBWSOSUVQO-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH3+] 74310723 572624163 /nfs/dbraw/zinc/62/41/63/572624163.db2.gz MBSCLYQIDTVECD-LPEHRKFASA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N 74310723 572624165 /nfs/dbraw/zinc/62/41/65/572624165.db2.gz MBSCLYQIDTVECD-LPEHRKFASA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N 74310723 572624169 /nfs/dbraw/zinc/62/41/69/572624169.db2.gz MBSCLYQIDTVECD-LPEHRKFASA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](N)C[N@H+](C)C1 74310657 572624342 /nfs/dbraw/zinc/62/43/42/572624342.db2.gz PXLPPNNLSMKJKF-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](N)C[N@@H+](C)C1 74310657 572624344 /nfs/dbraw/zinc/62/43/44/572624344.db2.gz PXLPPNNLSMKJKF-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H]([NH3+])CCN1C 74310679 572624386 /nfs/dbraw/zinc/62/43/86/572624386.db2.gz JZNPJBWSOSUVQO-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](N)CC[N@@H+]1C 74310679 572624391 /nfs/dbraw/zinc/62/43/91/572624391.db2.gz JZNPJBWSOSUVQO-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](N)CC[N@H+]1C 74310679 572624393 /nfs/dbraw/zinc/62/43/93/572624393.db2.gz JZNPJBWSOSUVQO-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO COP(NC(C)C)[NH2+]C(C)C 238362293 572624490 /nfs/dbraw/zinc/62/44/90/572624490.db2.gz FXHIFDQKQNTQLO-UHFFFAOYSA-N 1 3 178.216 1.856 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@H](N)CC[N@@H+]1C 74310682 572625066 /nfs/dbraw/zinc/62/50/66/572625066.db2.gz QGZHOGWFZWBITJ-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@H](N)CC[N@H+]1C 74310682 572625073 /nfs/dbraw/zinc/62/50/73/572625073.db2.gz QGZHOGWFZWBITJ-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@H]([NH3+])CCN1C 74310682 572625074 /nfs/dbraw/zinc/62/50/74/572625074.db2.gz QGZHOGWFZWBITJ-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@H](N)C[N@H+](C)C1 74310664 572625105 /nfs/dbraw/zinc/62/51/05/572625105.db2.gz RXEQELZGERVOJZ-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@H](N)C[N@@H+](C)C1 74310664 572625107 /nfs/dbraw/zinc/62/51/07/572625107.db2.gz RXEQELZGERVOJZ-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH3+] 74310716 572625337 /nfs/dbraw/zinc/62/53/37/572625337.db2.gz HSAAACOKJQCYPW-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]([NH3+])CCN1C 74310676 572625478 /nfs/dbraw/zinc/62/54/78/572625478.db2.gz JZNPJBWSOSUVQO-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](N)CC[N@@H+]1C 74310676 572625481 /nfs/dbraw/zinc/62/54/81/572625481.db2.gz JZNPJBWSOSUVQO-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](N)CC[N@H+]1C 74310676 572625487 /nfs/dbraw/zinc/62/54/87/572625487.db2.gz JZNPJBWSOSUVQO-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@H](CCN)C1CCCC1 74310695 572625494 /nfs/dbraw/zinc/62/54/94/572625494.db2.gz NRDXXEJZTZEPBN-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)[C@H](CC[NH3+])C1CCCC1 74310695 572625500 /nfs/dbraw/zinc/62/55/00/572625500.db2.gz NRDXXEJZTZEPBN-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C)[C@H]1CN(C)CC[C@H]1[NH3+] 251730645 572625531 /nfs/dbraw/zinc/62/55/31/572625531.db2.gz FNMDSFPZEQBYCU-IVZWLZJFSA-N 1 3 170.300 1.312 10 0 ADAEHO CCn1ccnc1NC[C@H]([NH3+])C(C)C 70010897 572625710 /nfs/dbraw/zinc/62/57/10/572625710.db2.gz PFDQZEMFLYDZGJ-VIFPVBQESA-N 1 3 196.298 1.298 10 0 ADAEHO CC(C)C[C@H]1C[C@H](N)C[N@H+](C)C1 74310655 572625782 /nfs/dbraw/zinc/62/57/82/572625782.db2.gz PXLPPNNLSMKJKF-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@H]1C[C@H](N)C[N@@H+](C)C1 74310655 572625787 /nfs/dbraw/zinc/62/57/87/572625787.db2.gz PXLPPNNLSMKJKF-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[C@@H]1CN(C)CC[C@H]1[NH3+] 251730646 572626149 /nfs/dbraw/zinc/62/61/49/572626149.db2.gz FNMDSFPZEQBYCU-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1CC[N@H+](C2CC2)[C@@H](C)CN1 251740892 572626174 /nfs/dbraw/zinc/62/61/74/572626174.db2.gz RHYFGBNJYDFCID-IUCAKERBSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CC2)[C@@H](C)CN1 251740892 572626177 /nfs/dbraw/zinc/62/61/77/572626177.db2.gz RHYFGBNJYDFCID-IUCAKERBSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CN[C@H](C)CC[N@@H+]1C1CC1 251740890 572626550 /nfs/dbraw/zinc/62/65/50/572626550.db2.gz RHYFGBNJYDFCID-BDAKNGLRSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CN[C@H](C)CC[N@H+]1C1CC1 251740890 572626552 /nfs/dbraw/zinc/62/65/52/572626552.db2.gz RHYFGBNJYDFCID-BDAKNGLRSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC1(C)C 235268423 572627377 /nfs/dbraw/zinc/62/73/77/572627377.db2.gz IIBWWXQALKNWOY-UTLUCORTSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@H](N)C[N@H+]1C[C@@H](C)C2(CC2)[C@@H](C)C1 251764687 572627580 /nfs/dbraw/zinc/62/75/80/572627580.db2.gz UNBUABYFLWVYMI-AXFHLTTASA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)C[N@@H+]1C[C@@H](C)C2(CC2)[C@@H](C)C1 251764687 572627587 /nfs/dbraw/zinc/62/75/87/572627587.db2.gz UNBUABYFLWVYMI-AXFHLTTASA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)C[NH+]1C[C@@H](C)C2(CC2)[C@H](C)C1 251764692 572629007 /nfs/dbraw/zinc/62/90/07/572629007.db2.gz UNBUABYFLWVYMI-MXWKQRLJSA-N 1 3 196.338 1.702 10 0 ADAEHO CSC[C@@H](C)C[NH2+]C1CC(N)C1 87651968 572638190 /nfs/dbraw/zinc/63/81/90/572638190.db2.gz KQYOEJDJDUTZKW-UEJVZZJDSA-N 1 3 188.340 1.065 10 0 ADAEHO Cc1c[nH+]ccc1N[C@@H]1CCN(C)C1 70047188 572630985 /nfs/dbraw/zinc/63/09/85/572630985.db2.gz DUIWXDRJQYVKQO-SNVBAGLBSA-N 1 3 191.278 1.506 10 0 ADAEHO Cc1c[nH+]ccc1N[C@H]1CCN(C)C1 70047190 572632913 /nfs/dbraw/zinc/63/29/13/572632913.db2.gz DUIWXDRJQYVKQO-JTQLQIEISA-N 1 3 191.278 1.506 10 0 ADAEHO CCCCC[NH2+]C1CC(N)C1 87651053 572633325 /nfs/dbraw/zinc/63/33/25/572633325.db2.gz PKRQAPVALZEQTH-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCCCNC1CC([NH3+])C1 87651053 572633330 /nfs/dbraw/zinc/63/33/30/572633330.db2.gz PKRQAPVALZEQTH-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]C1CC(N)C1 87651329 572633451 /nfs/dbraw/zinc/63/34/51/572633451.db2.gz WOWBZISZXAKLOV-XNWIYYODSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)C[C@@H](C)NC1CC([NH3+])C1 87651329 572633455 /nfs/dbraw/zinc/63/34/55/572633455.db2.gz WOWBZISZXAKLOV-XNWIYYODSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)CC[C@H](C)[NH2+]C1CC(N)C1 87651188 572633937 /nfs/dbraw/zinc/63/39/37/572633937.db2.gz PXDHRBQBZHNVDA-WHXUTIOJSA-N 1 3 184.327 1.890 10 0 ADAEHO CC(C)CC[C@H](C)NC1CC([NH3+])C1 87651188 572633942 /nfs/dbraw/zinc/63/39/42/572633942.db2.gz PXDHRBQBZHNVDA-WHXUTIOJSA-N 1 3 184.327 1.890 10 0 ADAEHO NC1CC([NH2+]CCc2cccs2)C1 87651135 572634225 /nfs/dbraw/zinc/63/42/25/572634225.db2.gz NNFPIZHAEHOXCC-UHFFFAOYSA-N 1 3 196.319 1.370 10 0 ADAEHO CC(C)CC[C@@H](C)[NH2+]C1CC(N)C1 87651187 572634629 /nfs/dbraw/zinc/63/46/29/572634629.db2.gz PXDHRBQBZHNVDA-KPPDAEKUSA-N 1 3 184.327 1.890 10 0 ADAEHO CC(C)CC[C@@H](C)NC1CC([NH3+])C1 87651187 572634632 /nfs/dbraw/zinc/63/46/32/572634632.db2.gz PXDHRBQBZHNVDA-KPPDAEKUSA-N 1 3 184.327 1.890 10 0 ADAEHO CCCCCC[NH2+]C1CC(N)C1 87651237 572634666 /nfs/dbraw/zinc/63/46/66/572634666.db2.gz YUDAHVCUYFJDSE-UHFFFAOYSA-N 1 3 170.300 1.646 10 0 ADAEHO CCCCCCNC1CC([NH3+])C1 87651237 572634672 /nfs/dbraw/zinc/63/46/72/572634672.db2.gz YUDAHVCUYFJDSE-UHFFFAOYSA-N 1 3 170.300 1.646 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]C1CC(N)C1 87651330 572634725 /nfs/dbraw/zinc/63/47/25/572634725.db2.gz WOWBZISZXAKLOV-IDKOKCKLSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)C[C@H](C)NC1CC([NH3+])C1 87651330 572634728 /nfs/dbraw/zinc/63/47/28/572634728.db2.gz WOWBZISZXAKLOV-IDKOKCKLSA-N 1 3 170.300 1.500 10 0 ADAEHO CCOC1CCN(C/C=C/C[NH3+])CC1 85054850 572634782 /nfs/dbraw/zinc/63/47/82/572634782.db2.gz PZBZHUZCTWSBIC-ONEGZZNKSA-N 1 3 198.310 1.002 10 0 ADAEHO CN(C/C=C/C[NH3+])C[C@H]1CCCCO1 85054887 572634889 /nfs/dbraw/zinc/63/48/89/572634889.db2.gz BEOMJKOOCZWJMA-PGLGOXFNSA-N 1 3 198.310 1.002 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 87651154 572634903 /nfs/dbraw/zinc/63/49/03/572634903.db2.gz WINKIMIFSMKRIM-GSRULGPHSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1CC[C@@H]2[C@@H](C[NH3+])CN(C)C[C@H]2C1 251773441 572635232 /nfs/dbraw/zinc/63/52/32/572635232.db2.gz KURHONZEZBDUDP-WYUUTHIRSA-N 1 3 196.338 1.559 10 0 ADAEHO [NH3+]C1CC(NCCc2ccccc2)C1 87651115 572635513 /nfs/dbraw/zinc/63/55/13/572635513.db2.gz ZLWSCHQAIOAWQL-UHFFFAOYSA-N 1 3 190.290 1.308 10 0 ADAEHO NC1CC([NH2+]CCc2ccccc2)C1 87651115 572635516 /nfs/dbraw/zinc/63/55/16/572635516.db2.gz ZLWSCHQAIOAWQL-UHFFFAOYSA-N 1 3 190.290 1.308 10 0 ADAEHO NC1CC([NH2+]C(C2CC2)C2CC2)C1 87651216 572635805 /nfs/dbraw/zinc/63/58/05/572635805.db2.gz SRABXSAZKYFFAO-UHFFFAOYSA-N 1 3 180.295 1.254 10 0 ADAEHO CN(C/C=C/C[NH3+])Cc1cccs1 85054803 572636027 /nfs/dbraw/zinc/63/60/27/572636027.db2.gz PDWLLXQVQOHLIF-NSCUHMNNSA-N 1 3 196.319 1.695 10 0 ADAEHO C[C@@H]1CC[C@@H]2[C@H](C[NH3+])CN(C)C[C@@H]2C1 251773437 572636107 /nfs/dbraw/zinc/63/61/07/572636107.db2.gz KURHONZEZBDUDP-KXNHARMFSA-N 1 3 196.338 1.559 10 0 ADAEHO NC1CC([NH2+]CCC2=CCCCC2)C1 87651167 572636187 /nfs/dbraw/zinc/63/61/87/572636187.db2.gz KRTBPOZUYPFCPZ-UHFFFAOYSA-N 1 3 194.322 1.956 10 0 ADAEHO [NH3+]C1CC(NCCC2=CCCCC2)C1 87651167 572636190 /nfs/dbraw/zinc/63/61/90/572636190.db2.gz KRTBPOZUYPFCPZ-UHFFFAOYSA-N 1 3 194.322 1.956 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C1CC(N)C1 87652019 572637056 /nfs/dbraw/zinc/63/70/56/572637056.db2.gz CCJHWVLCBJLFGJ-XNWIYYODSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 87651156 572636462 /nfs/dbraw/zinc/63/64/62/572636462.db2.gz WINKIMIFSMKRIM-GSKRZPMYSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@@H]1[C@H]([NH3+])CCN(C)[C@@H]1C 251760671 572636630 /nfs/dbraw/zinc/63/66/30/572636630.db2.gz VFUHKAZDHFTRFE-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H]1[C@H](C)N(C)CC[C@H]1[NH3+] 251760674 572636807 /nfs/dbraw/zinc/63/68/07/572636807.db2.gz VFUHKAZDHFTRFE-XHNCKOQMSA-N 1 3 156.273 1.064 10 0 ADAEHO CCN(C/C=C/C[NH3+])C[C@H]1CCCO1 85054890 572636853 /nfs/dbraw/zinc/63/68/53/572636853.db2.gz PQZWHZNIHLACLP-PGLGOXFNSA-N 1 3 198.310 1.002 10 0 ADAEHO CCCC[C@H](C)NC1CC([NH3+])C1 87651856 572637222 /nfs/dbraw/zinc/63/72/22/572637222.db2.gz CKACJOHRQNZMHK-IDKOKCKLSA-N 1 3 170.300 1.644 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)C[C@@H]1C 87652034 572637185 /nfs/dbraw/zinc/63/71/85/572637185.db2.gz BCSSDEZPWYPUSH-TWFPBLDLSA-N 1 3 196.338 1.890 10 0 ADAEHO CCCC[C@H](C)[NH2+]C1CC(N)C1 87651856 572637218 /nfs/dbraw/zinc/63/72/18/572637218.db2.gz CKACJOHRQNZMHK-IDKOKCKLSA-N 1 3 170.300 1.644 10 0 ADAEHO CCC(CC)[C@H](C)[NH2+]C1CC(N)C1 87651961 572637229 /nfs/dbraw/zinc/63/72/29/572637229.db2.gz XVQKJILBRSDBFE-PUSIOWJLSA-N 1 3 184.327 1.890 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH2+]C1CC(N)C1 87651749 572637289 /nfs/dbraw/zinc/63/72/89/572637289.db2.gz YKNTZELXAVEBHR-AFWXGSBKSA-N 1 3 170.300 1.500 10 0 ADAEHO NC1CC([NH2+]CCc2ccsc2)C1 87651759 572637318 /nfs/dbraw/zinc/63/73/18/572637318.db2.gz KWPCARBNZKODGB-UHFFFAOYSA-N 1 3 196.319 1.370 10 0 ADAEHO C[C@H](Cc1ccco1)NC1CC([NH3+])C1 87651453 572638323 /nfs/dbraw/zinc/63/83/23/572638323.db2.gz ALTCKLWLBNZXEQ-XNWIYYODSA-N 1 3 194.278 1.290 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(N)C1 87651748 572637428 /nfs/dbraw/zinc/63/74/28/572637428.db2.gz YKNTZELXAVEBHR-LGUIWLBCSA-N 1 3 170.300 1.500 10 0 ADAEHO CCC[C@H](CC)[NH2+]C1CC(N)C1 87651851 572637541 /nfs/dbraw/zinc/63/75/41/572637541.db2.gz DXCOSYNEONSHHG-KYHHOPLUSA-N 1 3 170.300 1.644 10 0 ADAEHO CC[C@H]1CC[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652051 572637759 /nfs/dbraw/zinc/63/77/59/572637759.db2.gz CXDCRTBLGPXLAC-SGCDDIOWSA-N 1 3 196.338 1.890 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C1CC(N)C1 87652018 572637764 /nfs/dbraw/zinc/63/77/64/572637764.db2.gz CCJHWVLCBJLFGJ-IDKOKCKLSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@@H](C)C[C@H](C)[NH2+]C1CC(N)C1 87652083 572637866 /nfs/dbraw/zinc/63/78/66/572637866.db2.gz RMFNNDMCBLTWTL-MFQSTILNSA-N 1 3 184.327 1.890 10 0 ADAEHO CC[C@@H](C)C[C@H](C)NC1CC([NH3+])C1 87652083 572637867 /nfs/dbraw/zinc/63/78/67/572637867.db2.gz RMFNNDMCBLTWTL-MFQSTILNSA-N 1 3 184.327 1.890 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652049 572637932 /nfs/dbraw/zinc/63/79/32/572637932.db2.gz MTEZLXWZMNSRBF-MWOGMGPXSA-N 1 3 182.311 1.500 10 0 ADAEHO CC(C)C[C@H](C)N(C)C1CC([NH3+])C1 87653402 572638047 /nfs/dbraw/zinc/63/80/47/572638047.db2.gz BNZDGQSOTRDLKO-WHXUTIOJSA-N 1 3 184.327 1.843 10 0 ADAEHO CSC[C@@H](C)CNC1CC([NH3+])C1 87651968 572638195 /nfs/dbraw/zinc/63/81/95/572638195.db2.gz KQYOEJDJDUTZKW-UEJVZZJDSA-N 1 3 188.340 1.065 10 0 ADAEHO CC[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652053 572638201 /nfs/dbraw/zinc/63/82/01/572638201.db2.gz CXDCRTBLGPXLAC-FESBJMALSA-N 1 3 196.338 1.890 10 0 ADAEHO CCC[C@@H](C)N(C)C1CC([NH3+])C1 87653230 572638386 /nfs/dbraw/zinc/63/83/86/572638386.db2.gz KIRMWKUNMDZZCI-XNWIYYODSA-N 1 3 170.300 1.597 10 0 ADAEHO CCC[C@H](C)N(C)C1CC([NH3+])C1 87653231 572638567 /nfs/dbraw/zinc/63/85/67/572638567.db2.gz KIRMWKUNMDZZCI-IDKOKCKLSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]([NH2+]C1CC(N)C1)C(C)C 87651755 572638718 /nfs/dbraw/zinc/63/87/18/572638718.db2.gz YUYVYYLQKCBJGC-RTBKNWGFSA-N 1 3 170.300 1.500 10 0 ADAEHO CC[C@H](C)C[C@H](C)[NH2+]C1CC(N)C1 87652084 572638745 /nfs/dbraw/zinc/63/87/45/572638745.db2.gz RMFNNDMCBLTWTL-SAAXCQNUSA-N 1 3 184.327 1.890 10 0 ADAEHO CC[C@H](C)C[C@H](C)NC1CC([NH3+])C1 87652084 572638749 /nfs/dbraw/zinc/63/87/49/572638749.db2.gz RMFNNDMCBLTWTL-SAAXCQNUSA-N 1 3 184.327 1.890 10 0 ADAEHO CCC(CC)[C@@H](C)[NH2+]C1CC(N)C1 87651960 572638809 /nfs/dbraw/zinc/63/88/09/572638809.db2.gz XVQKJILBRSDBFE-MFAVDMRSSA-N 1 3 184.327 1.890 10 0 ADAEHO NC1CC([NH2+]CCC2CCCC2)C1 87651630 572638870 /nfs/dbraw/zinc/63/88/70/572638870.db2.gz ZRBKTPWTCUQUEO-UHFFFAOYSA-N 1 3 182.311 1.646 10 0 ADAEHO [NH3+]C1CC(NCCC2CCCC2)C1 87651630 572638876 /nfs/dbraw/zinc/63/88/76/572638876.db2.gz ZRBKTPWTCUQUEO-UHFFFAOYSA-N 1 3 182.311 1.646 10 0 ADAEHO CCCCN(CC)C1CC([NH3+])C1 87653165 572639488 /nfs/dbraw/zinc/63/94/88/572639488.db2.gz XOQBKQQNDVXKDT-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CCO[C@H]1CCCN(C/C=C/C[NH3+])C1 85054924 572639569 /nfs/dbraw/zinc/63/95/69/572639569.db2.gz QIOXLMYRDFTLRD-UFFNRZRYSA-N 1 3 198.310 1.002 10 0 ADAEHO C[C@@H]1CC([NH2+]C2CC(N)C2)C[C@H](C)C1 87652028 572639638 /nfs/dbraw/zinc/63/96/38/572639638.db2.gz ALDQSOMBSABBMZ-MXSCYXCISA-N 1 3 196.338 1.890 10 0 ADAEHO NC1CC([NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)C1 87651951 572639733 /nfs/dbraw/zinc/63/97/33/572639733.db2.gz ZPNCHWVAQRJQDG-RSUGOBJVSA-N 1 3 194.322 1.502 10 0 ADAEHO CCN(CC(C)C)C1CC([NH3+])C1 87653199 572639800 /nfs/dbraw/zinc/63/98/00/572639800.db2.gz VTCWNVRKYNXNSY-UHFFFAOYSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)CN(CC)C1CC([NH3+])C1 87653646 572641256 /nfs/dbraw/zinc/64/12/56/572641256.db2.gz IGENNWYVZPRROP-WHXUTIOJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](CC1CC1)[NH2+]C1CC(N)C1 87651971 572639891 /nfs/dbraw/zinc/63/98/91/572639891.db2.gz AFEWEHKYVQJCHU-CUUXFQNZSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H](CC1CC1)NC1CC([NH3+])C1 87651971 572639894 /nfs/dbraw/zinc/63/98/94/572639894.db2.gz AFEWEHKYVQJCHU-CUUXFQNZSA-N 1 3 168.284 1.254 10 0 ADAEHO CSC[C@H](C)C[NH2+]C1CC(N)C1 87651969 572641192 /nfs/dbraw/zinc/64/11/92/572641192.db2.gz KQYOEJDJDUTZKW-AFPNSQJFSA-N 1 3 188.340 1.065 10 0 ADAEHO CCC(CC)N(C)C1CC([NH3+])C1 87653229 572640047 /nfs/dbraw/zinc/64/00/47/572640047.db2.gz YNIZMRHBZPXNDE-UHFFFAOYSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@@H](C)C[C@@H](C)[NH2+]C1CC(N)C1 87652081 572640067 /nfs/dbraw/zinc/64/00/67/572640067.db2.gz RMFNNDMCBLTWTL-NKVNRFPTSA-N 1 3 184.327 1.890 10 0 ADAEHO CC[C@@H](C)C[C@@H](C)NC1CC([NH3+])C1 87652081 572640070 /nfs/dbraw/zinc/64/00/70/572640070.db2.gz RMFNNDMCBLTWTL-NKVNRFPTSA-N 1 3 184.327 1.890 10 0 ADAEHO CSC[C@H](C)CNC1CC([NH3+])C1 87651969 572641196 /nfs/dbraw/zinc/64/11/96/572641196.db2.gz KQYOEJDJDUTZKW-AFPNSQJFSA-N 1 3 188.340 1.065 10 0 ADAEHO [NH3+]C1CC(NCCOC2CCCC2)C1 87651957 572641200 /nfs/dbraw/zinc/64/12/00/572641200.db2.gz KSHKJMJEZWFMLI-UHFFFAOYSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652047 572640332 /nfs/dbraw/zinc/64/03/32/572640332.db2.gz MTEZLXWZMNSRBF-SHGARLFGSA-N 1 3 182.311 1.500 10 0 ADAEHO CC(C)CN(C1CC1)C1CC([NH3+])C1 87653400 572640420 /nfs/dbraw/zinc/64/04/20/572640420.db2.gz BSUOEOSUMSJIBY-UHFFFAOYSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+]C1CC(N)C1 87651751 572640428 /nfs/dbraw/zinc/64/04/28/572640428.db2.gz YKNTZELXAVEBHR-DKEVHCRPSA-N 1 3 170.300 1.500 10 0 ADAEHO CC[C@@H](CC1CC1)[NH2+]C1CC(N)C1 87651972 572640448 /nfs/dbraw/zinc/64/04/48/572640448.db2.gz RGVXZOATOWFKAY-YVNMAJEFSA-N 1 3 182.311 1.644 10 0 ADAEHO CC(C)C[C@@H](C)N(C)C1CC([NH3+])C1 87653401 572640490 /nfs/dbraw/zinc/64/04/90/572640490.db2.gz BNZDGQSOTRDLKO-KPPDAEKUSA-N 1 3 184.327 1.843 10 0 ADAEHO NC1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)C1 87652005 572640541 /nfs/dbraw/zinc/64/05/41/572640541.db2.gz OOLNWYXJSSDLAX-SHGARLFGSA-N 1 3 180.295 1.254 10 0 ADAEHO C[C@@H](Cc1ccco1)NC1CC([NH3+])C1 87651452 572640867 /nfs/dbraw/zinc/64/08/67/572640867.db2.gz ALTCKLWLBNZXEQ-IDKOKCKLSA-N 1 3 194.278 1.290 10 0 ADAEHO [NH3+]C1CC(N(CC2CC2)C2CC2)C1 87653593 572640988 /nfs/dbraw/zinc/64/09/88/572640988.db2.gz OONOIMBJPVSJMO-UHFFFAOYSA-N 1 3 180.295 1.351 10 0 ADAEHO CC[C@@H](C)[C@H](C)[NH2+]C1CC(N)C1 87651750 572641063 /nfs/dbraw/zinc/64/10/63/572641063.db2.gz YKNTZELXAVEBHR-XHHQTKHESA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@@H](CC1CC1)[NH2+]C1CC(N)C1 87651970 572641095 /nfs/dbraw/zinc/64/10/95/572641095.db2.gz AFEWEHKYVQJCHU-WFRXLMHJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H](CC1CC1)NC1CC([NH3+])C1 87651970 572641098 /nfs/dbraw/zinc/64/10/98/572641098.db2.gz AFEWEHKYVQJCHU-WFRXLMHJSA-N 1 3 168.284 1.254 10 0 ADAEHO CC[C@@H]1C[C@]1([NH3+])C[C@H]1CCCCN1C 251778411 572642582 /nfs/dbraw/zinc/64/25/82/572642582.db2.gz WPJCUZFGRBWCMX-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CCO[C@@H]1CCCN(C/C=C/C[NH3+])C1 85054923 572641479 /nfs/dbraw/zinc/64/14/79/572641479.db2.gz QIOXLMYRDFTLRD-PGLGOXFNSA-N 1 3 198.310 1.002 10 0 ADAEHO CCC[C@@H](CC)[NH2+]C1CC(N)C1 87651850 572641518 /nfs/dbraw/zinc/64/15/18/572641518.db2.gz DXCOSYNEONSHHG-HWOCKDDLSA-N 1 3 170.300 1.644 10 0 ADAEHO CC[C@@H](C)CN(CC)C1CC([NH3+])C1 87653645 572641558 /nfs/dbraw/zinc/64/15/58/572641558.db2.gz IGENNWYVZPRROP-KPPDAEKUSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]([NH2+]C1CC(N)C1)C(C)C 87651756 572642049 /nfs/dbraw/zinc/64/20/49/572642049.db2.gz YUYVYYLQKCBJGC-UDNWOFFPSA-N 1 3 170.300 1.500 10 0 ADAEHO CCCC[C@@H](C)[NH2+]C1CC(N)C1 87651855 572642135 /nfs/dbraw/zinc/64/21/35/572642135.db2.gz CKACJOHRQNZMHK-XNWIYYODSA-N 1 3 170.300 1.644 10 0 ADAEHO CCCC[C@@H](C)NC1CC([NH3+])C1 87651855 572642139 /nfs/dbraw/zinc/64/21/39/572642139.db2.gz CKACJOHRQNZMHK-XNWIYYODSA-N 1 3 170.300 1.644 10 0 ADAEHO CCN(CC1CC1)C1CC([NH3+])C1 87653571 572642218 /nfs/dbraw/zinc/64/22/18/572642218.db2.gz XBACUGDBJRHJHP-UHFFFAOYSA-N 1 3 168.284 1.208 10 0 ADAEHO C=COCCC[NH2+]C[C@@H]1CCCNC1 87646231 572642727 /nfs/dbraw/zinc/64/27/27/572642727.db2.gz BDHCPALPUYSOMC-LLVKDONJSA-N 1 3 198.310 1.126 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 87647187 572643192 /nfs/dbraw/zinc/64/31/92/572643192.db2.gz SUERVAFEZGSQIK-QJPTWQEYSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCCN1C 251778410 572643431 /nfs/dbraw/zinc/64/34/31/572643431.db2.gz WPJCUZFGRBWCMX-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 87647183 572644063 /nfs/dbraw/zinc/64/40/63/572644063.db2.gz SUERVAFEZGSQIK-TUAOUCFPSA-N 1 3 196.338 1.764 10 0 ADAEHO C1CCC(C[NH2+]C[C@@H]2CCCNC2)C1 87646346 572644939 /nfs/dbraw/zinc/64/49/39/572644939.db2.gz MCZZAYRHTKRQNK-GFCCVEGCSA-N 1 3 196.338 1.766 10 0 ADAEHO CC(C)N(C)[C@@H](C)CC(N)=[NH2+] 48249822 572645275 /nfs/dbraw/zinc/64/52/75/572645275.db2.gz YYVLZQOOCITSQX-ZETCQYMHSA-N 1 3 157.261 1.041 10 0 ADAEHO C=COCCC[NH2+]C[C@H]1CCCNC1 87646233 572645497 /nfs/dbraw/zinc/64/54/97/572645497.db2.gz BDHCPALPUYSOMC-NSHDSACASA-N 1 3 198.310 1.126 10 0 ADAEHO C1CC(C[NH2+]C[C@H]2CCCNC2)C1 87646328 572645503 /nfs/dbraw/zinc/64/55/03/572645503.db2.gz AILRPLREZRDLCR-NSHDSACASA-N 1 3 182.311 1.376 10 0 ADAEHO C1CCC(C[NH2+]C[C@H]2CCCNC2)C1 87646348 572645553 /nfs/dbraw/zinc/64/55/53/572645553.db2.gz MCZZAYRHTKRQNK-LBPRGKRZSA-N 1 3 196.338 1.766 10 0 ADAEHO C[C@H](CC(N)=[NH2+])N1CCCCC1 48249860 572646168 /nfs/dbraw/zinc/64/61/68/572646168.db2.gz VOZTUYXDZHDDJA-MRVPVSSYSA-N 1 3 169.272 1.187 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C(C)C)C[C@H]1N 251816460 572646920 /nfs/dbraw/zinc/64/69/20/572646920.db2.gz OXXJEJAUQFXXFH-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1CC[N@H+](C(C)C)C[C@H]1N 251816460 572646923 /nfs/dbraw/zinc/64/69/23/572646923.db2.gz OXXJEJAUQFXXFH-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CSC[C@H](C)N[C@@H](C)[C@@H](C)[NH3+] 307852213 572647378 /nfs/dbraw/zinc/64/73/78/572647378.db2.gz BTTOQDNQHNGWCP-RNJXMRFFSA-N 1 3 176.329 1.063 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](C)C1 251816871 572647868 /nfs/dbraw/zinc/64/78/68/572647868.db2.gz ZIUFGXKTBXXOML-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](C)C1 251816871 572647871 /nfs/dbraw/zinc/64/78/71/572647871.db2.gz ZIUFGXKTBXXOML-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H]1CC[N@@H+](C(C)C)C[C@H]1N 251816462 572647910 /nfs/dbraw/zinc/64/79/10/572647910.db2.gz OXXJEJAUQFXXFH-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H]1CC[N@H+](C(C)C)C[C@H]1N 251816462 572647913 /nfs/dbraw/zinc/64/79/13/572647913.db2.gz OXXJEJAUQFXXFH-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCCC[N@@H+]1CC[C@H](C)[C@H](N)C1 70144649 572648139 /nfs/dbraw/zinc/64/81/39/572648139.db2.gz JLMBROJIYMFSAY-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@H+]1CC[C@H](C)[C@H](N)C1 70144649 572648144 /nfs/dbraw/zinc/64/81/44/572648144.db2.gz JLMBROJIYMFSAY-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](C)C1 251816869 572648722 /nfs/dbraw/zinc/64/87/22/572648722.db2.gz ZIUFGXKTBXXOML-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](C)C1 251816869 572648726 /nfs/dbraw/zinc/64/87/26/572648726.db2.gz ZIUFGXKTBXXOML-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C)C1 251816867 572648821 /nfs/dbraw/zinc/64/88/21/572648821.db2.gz ZIUFGXKTBXXOML-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](C)C1 251816867 572648825 /nfs/dbraw/zinc/64/88/25/572648825.db2.gz ZIUFGXKTBXXOML-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CSC[C@H](C)N[C@@H](C)[C@H](C)[NH3+] 307852212 572648869 /nfs/dbraw/zinc/64/88/69/572648869.db2.gz BTTOQDNQHNGWCP-FXQIFTODSA-N 1 3 176.329 1.063 10 0 ADAEHO CS[C@H](C)CN[C@@H](C)[C@H](C)[NH3+] 307852254 572649021 /nfs/dbraw/zinc/64/90/21/572649021.db2.gz BZJAPUVAFQECOB-CSMHCCOUSA-N 1 3 176.329 1.063 10 0 ADAEHO CSC[C@H](C)N[C@H](C)[C@@H](C)[NH3+] 307852214 572649073 /nfs/dbraw/zinc/64/90/73/572649073.db2.gz BTTOQDNQHNGWCP-XLPZGREQSA-N 1 3 176.329 1.063 10 0 ADAEHO CS[C@H](C)CN[C@@H](C)[C@@H](C)[NH3+] 307852256 572649289 /nfs/dbraw/zinc/64/92/89/572649289.db2.gz BZJAPUVAFQECOB-PRJMDXOYSA-N 1 3 176.329 1.063 10 0 ADAEHO CS[C@H](C)CN[C@H](C)[C@@H](C)[NH3+] 307852253 572649310 /nfs/dbraw/zinc/64/93/10/572649310.db2.gz BZJAPUVAFQECOB-BWZBUEFSSA-N 1 3 176.329 1.063 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C)C1 251816864 572649441 /nfs/dbraw/zinc/64/94/41/572649441.db2.gz ZIUFGXKTBXXOML-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](C)C1 251816864 572649444 /nfs/dbraw/zinc/64/94/44/572649444.db2.gz ZIUFGXKTBXXOML-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CS[C@H](C)CN[C@H](C)[C@H](C)[NH3+] 307852255 572649463 /nfs/dbraw/zinc/64/94/63/572649463.db2.gz BZJAPUVAFQECOB-GJMOJQLCSA-N 1 3 176.329 1.063 10 0 ADAEHO CC[C@@H](C)N1CCS[C@@H](C[NH3+])C1 251847753 572650096 /nfs/dbraw/zinc/65/00/96/572650096.db2.gz MMRYADCFUFVMKW-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCS[C@@H](CN)C1 251847753 572650098 /nfs/dbraw/zinc/65/00/98/572650098.db2.gz MMRYADCFUFVMKW-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCS[C@@H](CN)C1 251847753 572650101 /nfs/dbraw/zinc/65/01/01/572650101.db2.gz MMRYADCFUFVMKW-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](C)[C@@H]([NH3+])[C@H]1CCCN(C)C1 252029220 572651230 /nfs/dbraw/zinc/65/12/30/572651230.db2.gz YXIPTCGAOHCLCF-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCC[C@H]1CCN 251849212 572651425 /nfs/dbraw/zinc/65/14/25/572651425.db2.gz MTPTUSWMWYXSFV-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCC[C@H]1CCN 251849212 572651431 /nfs/dbraw/zinc/65/14/31/572651431.db2.gz MTPTUSWMWYXSFV-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])[C@H]1CCCN(C)C1 252029217 572651779 /nfs/dbraw/zinc/65/17/79/572651779.db2.gz YXIPTCGAOHCLCF-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[C@@]2(CC[NH2+]C2)[C@@H](C)N1C 251841906 572652333 /nfs/dbraw/zinc/65/23/33/572652333.db2.gz OGHSTUCISYSZFR-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CN[C@@H]2CCCC[C@H]2C[N@H+]1C 251842970 572652358 /nfs/dbraw/zinc/65/23/58/572652358.db2.gz QQSCSSHAQUVKRH-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CN[C@@H]2CCCC[C@H]2C[N@@H+]1C 251842970 572652353 /nfs/dbraw/zinc/65/23/53/572652353.db2.gz QQSCSSHAQUVKRH-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[C@]2(CC[NH2+]C2)[C@@H](C)N1C 251841905 572653096 /nfs/dbraw/zinc/65/30/96/572653096.db2.gz OGHSTUCISYSZFR-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@H]1CCN 251849211 572653558 /nfs/dbraw/zinc/65/35/58/572653558.db2.gz MTPTUSWMWYXSFV-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@H]1CCN 251849211 572653562 /nfs/dbraw/zinc/65/35/62/572653562.db2.gz MTPTUSWMWYXSFV-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]1CN[C@H]2CCCC[C@H]2C[N@@H+]1C 251842971 572653783 /nfs/dbraw/zinc/65/37/83/572653783.db2.gz QQSCSSHAQUVKRH-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CN[C@H]2CCCC[C@H]2C[N@H+]1C 251842971 572653786 /nfs/dbraw/zinc/65/37/86/572653786.db2.gz QQSCSSHAQUVKRH-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)N1CCS[C@@H](C[NH3+])C1 251847755 572653845 /nfs/dbraw/zinc/65/38/45/572653845.db2.gz MMRYADCFUFVMKW-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCS[C@@H](CN)C1 251847755 572653847 /nfs/dbraw/zinc/65/38/47/572653847.db2.gz MMRYADCFUFVMKW-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](C)[N@H+]1CCS[C@@H](CN)C1 251847755 572653850 /nfs/dbraw/zinc/65/38/50/572653850.db2.gz MMRYADCFUFVMKW-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1CNC[C@@H]2CCCC[C@H]2[N@@H+]1C 251916729 572657330 /nfs/dbraw/zinc/65/73/30/572657330.db2.gz XPPDGLUUNYPOPI-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO NCC[C@H](C1CC1)[NH+]1CCCC1 74332678 572654550 /nfs/dbraw/zinc/65/45/50/572654550.db2.gz FPLDCMQMCFXVSJ-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1C[NH2+]CCN2CCCC[C@@H]12 251881270 572654565 /nfs/dbraw/zinc/65/45/65/572654565.db2.gz UVBVEEGBVHZMHM-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@H]2CCCC[C@H]2N1 251898441 572654766 /nfs/dbraw/zinc/65/47/66/572654766.db2.gz WFDHDDXEXFYNDK-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@H]2CCCC[C@H]2N1 251898441 572654776 /nfs/dbraw/zinc/65/47/76/572654776.db2.gz WFDHDDXEXFYNDK-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[C@@H]([NH3+])[C@H]1CCN(C)C1 252029885 572655698 /nfs/dbraw/zinc/65/56/98/572655698.db2.gz ZBFVNCGYTHDZDY-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1C[NH2+]CCN2CCCC[C@@H]12 251881268 572655883 /nfs/dbraw/zinc/65/58/83/572655883.db2.gz UVBVEEGBVHZMHM-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@@H]2CCCC[C@H]2N1 251898445 572656643 /nfs/dbraw/zinc/65/66/43/572656643.db2.gz WFDHDDXEXFYNDK-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@@H]2CCCC[C@H]2N1 251898445 572656646 /nfs/dbraw/zinc/65/66/46/572656646.db2.gz WFDHDDXEXFYNDK-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@H]2CCCC[C@H]2[N@@H+]1C 251916727 572656834 /nfs/dbraw/zinc/65/68/34/572656834.db2.gz XPPDGLUUNYPOPI-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@H]2CCCC[C@H]2[N@H+]1C 251916727 572656838 /nfs/dbraw/zinc/65/68/38/572656838.db2.gz XPPDGLUUNYPOPI-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]2CCCC[C@H]2N1C 251916727 572656846 /nfs/dbraw/zinc/65/68/46/572656846.db2.gz XPPDGLUUNYPOPI-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@@H]2CCCC[C@H]2[N@H+]1C 251916729 572657335 /nfs/dbraw/zinc/65/73/35/572657335.db2.gz XPPDGLUUNYPOPI-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]2CCCC[C@H]2N1C 251916729 572657337 /nfs/dbraw/zinc/65/73/37/572657337.db2.gz XPPDGLUUNYPOPI-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO NCC[C@@H](C1CC1)[NH+]1CCCC1 74332673 572657886 /nfs/dbraw/zinc/65/78/86/572657886.db2.gz FPLDCMQMCFXVSJ-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@H]2CCCC[C@@H]2N1 251898443 572658475 /nfs/dbraw/zinc/65/84/75/572658475.db2.gz WFDHDDXEXFYNDK-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@H]2CCCC[C@@H]2N1 251898443 572658483 /nfs/dbraw/zinc/65/84/83/572658483.db2.gz WFDHDDXEXFYNDK-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])[C@H]1CCN(C)C1 252029883 572658624 /nfs/dbraw/zinc/65/86/24/572658624.db2.gz ZBFVNCGYTHDZDY-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CNCC1(C)CC1 235288100 572659165 /nfs/dbraw/zinc/65/91/65/572659165.db2.gz SYFWIIFVJPOLAV-UWVGGRQHSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@@H](N)CC[N@@H+]1C 251922500 572659187 /nfs/dbraw/zinc/65/91/87/572659187.db2.gz QGZHOGWFZWBITJ-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@@H](N)CC[N@H+]1C 251922500 572659193 /nfs/dbraw/zinc/65/91/93/572659193.db2.gz QGZHOGWFZWBITJ-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@@H]([NH3+])CCN1C 251922500 572659196 /nfs/dbraw/zinc/65/91/96/572659196.db2.gz QGZHOGWFZWBITJ-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@](C)(NC)C1 252033248 572661040 /nfs/dbraw/zinc/66/10/40/572661040.db2.gz ZRYAELZOPSDDKU-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@](C)(NC)C1 252033248 572661041 /nfs/dbraw/zinc/66/10/41/572661041.db2.gz ZRYAELZOPSDDKU-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@@H](N)C[N@H+](C)C1 251936108 572661099 /nfs/dbraw/zinc/66/10/99/572661099.db2.gz RXEQELZGERVOJZ-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@@H](N)C[N@@H+](C)C1 251936108 572661103 /nfs/dbraw/zinc/66/11/03/572661103.db2.gz RXEQELZGERVOJZ-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H]2[C@H](C1)C[C@H](C[NH3+])CN2C 251942440 572661913 /nfs/dbraw/zinc/66/19/13/572661913.db2.gz WCMYOLPOKDLTNZ-DDHJBXDOSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@H](C)N1CC2(CC2)C[NH2+]C[C@H]1C 251925522 572662582 /nfs/dbraw/zinc/66/25/82/572662582.db2.gz QPZWMUBTPQNVAD-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@H](C[NH3+])CN1CCC1 307864126 572662618 /nfs/dbraw/zinc/66/26/18/572662618.db2.gz DSQJWORAZNONPN-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO CCC[C@@H](C[NH3+])CN1CCC1 307864127 572662712 /nfs/dbraw/zinc/66/27/12/572662712.db2.gz DSQJWORAZNONPN-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@@H](N)CC[N@@H+]1C 251922502 572662757 /nfs/dbraw/zinc/66/27/57/572662757.db2.gz QGZHOGWFZWBITJ-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@@H](N)CC[N@H+]1C 251922502 572662761 /nfs/dbraw/zinc/66/27/61/572662761.db2.gz QGZHOGWFZWBITJ-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@@H]([NH3+])CCN1C 251922502 572662764 /nfs/dbraw/zinc/66/27/64/572662764.db2.gz QGZHOGWFZWBITJ-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@](C)(NC)C1 252033247 572662854 /nfs/dbraw/zinc/66/28/54/572662854.db2.gz ZRYAELZOPSDDKU-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@](C)(NC)C1 252033247 572662860 /nfs/dbraw/zinc/66/28/60/572662860.db2.gz ZRYAELZOPSDDKU-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1C[N@H+](C[C@H](C)N)CCC12CC2 251922086 572662901 /nfs/dbraw/zinc/66/29/01/572662901.db2.gz YOBDEPBGFVNKBP-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1C[N@@H+](C[C@H](C)N)CCC12CC2 251922086 572662907 /nfs/dbraw/zinc/66/29/07/572662907.db2.gz YOBDEPBGFVNKBP-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C)[C@@H](N)[C@H]1CCCC[N@@H+]1C 251952535 572663016 /nfs/dbraw/zinc/66/30/16/572663016.db2.gz URBMWTRHWRHSJC-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@@H](N)[C@H]1CCCC[N@H+]1C 251952535 572663019 /nfs/dbraw/zinc/66/30/19/572663019.db2.gz URBMWTRHWRHSJC-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO C1CC(C[N@H+]2C[C@H]3CCCN[C@H]3C2)C1 299892752 572663110 /nfs/dbraw/zinc/66/31/10/572663110.db2.gz CUWQUMIOVIRUEK-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC1(C)C 235291602 572665467 /nfs/dbraw/zinc/66/54/67/572665467.db2.gz XPSAYRHZLRCMAD-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC1(C)C 235291602 572665471 /nfs/dbraw/zinc/66/54/71/572665471.db2.gz XPSAYRHZLRCMAD-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC1(C)C 235291602 572665475 /nfs/dbraw/zinc/66/54/75/572665475.db2.gz XPSAYRHZLRCMAD-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO CSCCCNCC(C)(C)[NH3+] 307862693 572665599 /nfs/dbraw/zinc/66/55/99/572665599.db2.gz HXZZYEZNTIGDPN-UHFFFAOYSA-N 1 3 176.329 1.066 10 0 ADAEHO CCC[C@H]1C[C@@H](N)CC[N@@H+]1C 74342430 572672259 /nfs/dbraw/zinc/67/22/59/572672259.db2.gz PNNHAVLTQLXHOF-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H]1C[C@@H](N)CC[N@H+]1C 74342430 572672263 /nfs/dbraw/zinc/67/22/63/572672263.db2.gz PNNHAVLTQLXHOF-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1C[C@@H]2CN(C)CCC[C@H]2[NH2+]1 252146084 572666606 /nfs/dbraw/zinc/66/66/06/572666606.db2.gz NXTRMSYIDDXMES-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[C@@H]2CCN(C)CC[C@H]2[NH2+]1 252175731 572667149 /nfs/dbraw/zinc/66/71/49/572667149.db2.gz RZACDENGNOSREP-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO [NH3+]CCCN[C@H]1CCC(F)(F)C1 308088926 572667199 /nfs/dbraw/zinc/66/71/99/572667199.db2.gz ROPBWZZRMQNMGY-ZETCQYMHSA-N 1 3 178.226 1.113 10 0 ADAEHO NCCC[NH2+][C@H]1CCC(F)(F)C1 308088926 572667202 /nfs/dbraw/zinc/66/72/02/572667202.db2.gz ROPBWZZRMQNMGY-ZETCQYMHSA-N 1 3 178.226 1.113 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1C 252153276 572667339 /nfs/dbraw/zinc/66/73/39/572667339.db2.gz MVUFXONGMPEFMT-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H]1C 252153276 572667342 /nfs/dbraw/zinc/66/73/42/572667342.db2.gz MVUFXONGMPEFMT-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@@H](N)[C@H](C)[NH+](C)C 74342074 572667640 /nfs/dbraw/zinc/66/76/40/572667640.db2.gz XMJXZZPNMHDVQP-DTWKUNHWSA-N 1 3 158.289 1.310 10 0 ADAEHO C[C@@H]1CCCCN1CC[C@H]1CC[NH2+]1 252139393 572667957 /nfs/dbraw/zinc/66/79/57/572667957.db2.gz LYZOLNKUOGREPO-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1C[C@H]2CCN(C)CC[C@H]2[NH2+]1 252175732 572668033 /nfs/dbraw/zinc/66/80/33/572668033.db2.gz RZACDENGNOSREP-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H]1C[C@@H](N)C[C@@H](CC)[N@@H+]1C 250252437 572668344 /nfs/dbraw/zinc/66/83/44/572668344.db2.gz TWBGTBQBZBBZOF-ILWJIGKKSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]1C[C@@H](N)C[C@@H](CC)[N@H+]1C 250252437 572668348 /nfs/dbraw/zinc/66/83/48/572668348.db2.gz TWBGTBQBZBBZOF-ILWJIGKKSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]1C[C@@H]([NH3+])C[C@@H](CC)N1C 250252437 572668352 /nfs/dbraw/zinc/66/83/52/572668352.db2.gz TWBGTBQBZBBZOF-ILWJIGKKSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]1C[C@H](N)C[C@@H](CC)[N@@H+]1C 250252441 572668394 /nfs/dbraw/zinc/66/83/94/572668394.db2.gz TWBGTBQBZBBZOF-OWUUHHOZSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]1C[C@H](N)C[C@@H](CC)[N@H+]1C 250252441 572668397 /nfs/dbraw/zinc/66/83/97/572668397.db2.gz TWBGTBQBZBBZOF-OWUUHHOZSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]1C[C@H]([NH3+])C[C@@H](CC)N1C 250252441 572668403 /nfs/dbraw/zinc/66/84/03/572668403.db2.gz TWBGTBQBZBBZOF-OWUUHHOZSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)C[C@H](N)[C@H](C)[NH+](C)C 74342072 572668468 /nfs/dbraw/zinc/66/84/68/572668468.db2.gz XMJXZZPNMHDVQP-IUCAKERBSA-N 1 3 158.289 1.310 10 0 ADAEHO C[C@@H]1C[C@H]2CN(C)CCC[C@H]2[NH2+]1 252146083 572668704 /nfs/dbraw/zinc/66/87/04/572668704.db2.gz NXTRMSYIDDXMES-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1C 252153277 572669223 /nfs/dbraw/zinc/66/92/23/572669223.db2.gz MVUFXONGMPEFMT-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]1C 252153277 572669228 /nfs/dbraw/zinc/66/92/28/572669228.db2.gz MVUFXONGMPEFMT-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299893558 572669600 /nfs/dbraw/zinc/66/96/00/572669600.db2.gz MGXCEAIKLPWMEJ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCCC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299893558 572669603 /nfs/dbraw/zinc/66/96/03/572669603.db2.gz MGXCEAIKLPWMEJ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299892640 572669687 /nfs/dbraw/zinc/66/96/87/572669687.db2.gz BSYFIYAECHOEIP-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CCCC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299892640 572669691 /nfs/dbraw/zinc/66/96/91/572669691.db2.gz BSYFIYAECHOEIP-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C1CN[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 299893635 572669744 /nfs/dbraw/zinc/66/97/44/572669744.db2.gz NGRSPCSKHRCQMR-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CN[C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 299893635 572669746 /nfs/dbraw/zinc/66/97/46/572669746.db2.gz NGRSPCSKHRCQMR-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@H]1CCCCN1CC[C@H]1CC[NH2+]1 252139394 572669928 /nfs/dbraw/zinc/66/99/28/572669928.db2.gz LYZOLNKUOGREPO-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H]1C 252153275 572670000 /nfs/dbraw/zinc/67/00/00/572670000.db2.gz MVUFXONGMPEFMT-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H]1C 252153275 572670003 /nfs/dbraw/zinc/67/00/03/572670003.db2.gz MVUFXONGMPEFMT-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]CC(C)(C)NC[C@@H]1CC1(C)C 313072009 572670094 /nfs/dbraw/zinc/67/00/94/572670094.db2.gz FJDHKMBHIQOQEW-VIFPVBQESA-N 1 3 184.327 1.620 10 0 ADAEHO C1CN[C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 299893636 572670175 /nfs/dbraw/zinc/67/01/75/572670175.db2.gz NGRSPCSKHRCQMR-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CN[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 299893636 572670180 /nfs/dbraw/zinc/67/01/80/572670180.db2.gz NGRSPCSKHRCQMR-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO [NH3+]CCCN[C@@H]1CCC(F)(F)C1 308088925 572670198 /nfs/dbraw/zinc/67/01/98/572670198.db2.gz ROPBWZZRMQNMGY-SSDOTTSWSA-N 1 3 178.226 1.113 10 0 ADAEHO NCCC[NH2+][C@@H]1CCC(F)(F)C1 308088925 572670201 /nfs/dbraw/zinc/67/02/01/572670201.db2.gz ROPBWZZRMQNMGY-SSDOTTSWSA-N 1 3 178.226 1.113 10 0 ADAEHO CC[C@@H]1[C@@H]([NH3+])CCN(C)[C@H]1C 74342443 572673223 /nfs/dbraw/zinc/67/32/23/572673223.db2.gz VFUHKAZDHFTRFE-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H]1C 252153278 572670218 /nfs/dbraw/zinc/67/02/18/572670218.db2.gz MVUFXONGMPEFMT-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H]1C 252153278 572670224 /nfs/dbraw/zinc/67/02/24/572670224.db2.gz MVUFXONGMPEFMT-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]([NH3+])[C@@H](C)[C@H](C)N(C)C 74342078 572670374 /nfs/dbraw/zinc/67/03/74/572670374.db2.gz WFQUPJQAJJJYSV-XHNCKOQMSA-N 1 3 158.289 1.310 10 0 ADAEHO CC[C@H]([NH3+])[C@@H](C)[C@H](C)N(C)C 74342076 572670954 /nfs/dbraw/zinc/67/09/54/572670954.db2.gz WFQUPJQAJJJYSV-CIUDSAMLSA-N 1 3 158.289 1.310 10 0 ADAEHO C[C@@H]1CCN1[C@@H](C[NH3+])C1CCCC1 235293026 572671254 /nfs/dbraw/zinc/67/12/54/572671254.db2.gz MDCBFWSRVPVRDC-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@@H]1C[C@@H]([NH3+])CCN1C 74342429 572671491 /nfs/dbraw/zinc/67/14/91/572671491.db2.gz PNNHAVLTQLXHOF-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@H]1C[C@@H](N)CC[N@@H+]1C 74342429 572671495 /nfs/dbraw/zinc/67/14/95/572671495.db2.gz PNNHAVLTQLXHOF-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCCC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299893557 572671498 /nfs/dbraw/zinc/67/14/98/572671498.db2.gz MGXCEAIKLPWMEJ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCCC[N@H+]1C[C@H]2CCCN[C@H]2C1 299893557 572671499 /nfs/dbraw/zinc/67/14/99/572671499.db2.gz MGXCEAIKLPWMEJ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@@H]1C[C@@H](N)CC[N@H+]1C 74342429 572671500 /nfs/dbraw/zinc/67/15/00/572671500.db2.gz PNNHAVLTQLXHOF-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@H]1C[C@H](N)C[N@H+](C)C1 74342411 572671685 /nfs/dbraw/zinc/67/16/85/572671685.db2.gz FXUFMXLSKRRRGT-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299892639 572671562 /nfs/dbraw/zinc/67/15/62/572671562.db2.gz BSYFIYAECHOEIP-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCCC[N@H+]1C[C@H]2CCCN[C@H]2C1 299892639 572671564 /nfs/dbraw/zinc/67/15/64/572671564.db2.gz BSYFIYAECHOEIP-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[C@@H]1C[C@H](N)C[N@@H+](C)C1 74342411 572671691 /nfs/dbraw/zinc/67/16/91/572671691.db2.gz FXUFMXLSKRRRGT-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN1CCCC[NH2+]CC1(C)C 74342431 572671862 /nfs/dbraw/zinc/67/18/62/572671862.db2.gz NOGMRSCHSAPKMR-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@@H+]1CCCCNCC1(C)C 74342431 572671867 /nfs/dbraw/zinc/67/18/67/572671867.db2.gz NOGMRSCHSAPKMR-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@H+]1CCCCNCC1(C)C 74342431 572671873 /nfs/dbraw/zinc/67/18/73/572671873.db2.gz NOGMRSCHSAPKMR-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[C@@H]1C[C@H]([NH3+])CCN1C 74342427 572672040 /nfs/dbraw/zinc/67/20/40/572672040.db2.gz PNNHAVLTQLXHOF-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@H]1C[C@H](N)CC[N@@H+]1C 74342427 572672044 /nfs/dbraw/zinc/67/20/44/572672044.db2.gz PNNHAVLTQLXHOF-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@H]1C[C@H](N)CC[N@H+]1C 74342427 572672046 /nfs/dbraw/zinc/67/20/46/572672046.db2.gz PNNHAVLTQLXHOF-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H]1C[C@@H]([NH3+])CCN1C 74342430 572672256 /nfs/dbraw/zinc/67/22/56/572672256.db2.gz PNNHAVLTQLXHOF-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H]1[C@@H]([NH3+])CCN(C)[C@@H]1C 74342445 572672385 /nfs/dbraw/zinc/67/23/85/572672385.db2.gz VFUHKAZDHFTRFE-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CN1CC=CC1 308091068 572672689 /nfs/dbraw/zinc/67/26/89/572672689.db2.gz SWALQPDNNIVWQB-JTQLQIEISA-N 1 3 168.284 1.089 10 0 ADAEHO CCC[C@H]1C[C@@H](N)C[N@H+](C)C1 74342414 572672796 /nfs/dbraw/zinc/67/27/96/572672796.db2.gz FXUFMXLSKRRRGT-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H]1C[C@@H](N)C[N@@H+](C)C1 74342414 572672800 /nfs/dbraw/zinc/67/28/00/572672800.db2.gz FXUFMXLSKRRRGT-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CN1CC[C@@](C[NH3+])(CC(C)(C)C)C1 107130663 572672954 /nfs/dbraw/zinc/67/29/54/572672954.db2.gz LOCHCJCTZPDCHX-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@@H+]1CC[C@@](CN)(CC(C)(C)C)C1 107130663 572672960 /nfs/dbraw/zinc/67/29/60/572672960.db2.gz LOCHCJCTZPDCHX-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@H+]1CC[C@@](CN)(CC(C)(C)C)C1 107130663 572672964 /nfs/dbraw/zinc/67/29/64/572672964.db2.gz LOCHCJCTZPDCHX-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H]1C[C@H](N)C[N@H+](C)C1 74342412 572673599 /nfs/dbraw/zinc/67/35/99/572673599.db2.gz FXUFMXLSKRRRGT-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H]1C[C@H](N)C[N@@H+](C)C1 74342412 572673603 /nfs/dbraw/zinc/67/36/03/572673603.db2.gz FXUFMXLSKRRRGT-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 299894289 572673790 /nfs/dbraw/zinc/67/37/90/572673790.db2.gz VIXVXXWBGFKQJL-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 299894289 572673795 /nfs/dbraw/zinc/67/37/95/572673795.db2.gz VIXVXXWBGFKQJL-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1(C)CCC1 235290676 572673993 /nfs/dbraw/zinc/67/39/93/572673993.db2.gz VUNIWVSLINREJP-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1(C)CCC1 235290676 572673988 /nfs/dbraw/zinc/67/39/88/572673988.db2.gz VUNIWVSLINREJP-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1CC1(C)CCC1 235290676 572673996 /nfs/dbraw/zinc/67/39/96/572673996.db2.gz VUNIWVSLINREJP-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)(C)C[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299894296 572674078 /nfs/dbraw/zinc/67/40/78/572674078.db2.gz VLOLOKBFPPAULC-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)(C)C[N@H+]1C[C@@H]2CCCN[C@H]2C1 299894296 572674089 /nfs/dbraw/zinc/67/40/89/572674089.db2.gz VLOLOKBFPPAULC-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@H]1C[C@H]([NH3+])CCN1C 74342428 572674127 /nfs/dbraw/zinc/67/41/27/572674127.db2.gz PNNHAVLTQLXHOF-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H]1C[C@H](N)CC[N@@H+]1C 74342428 572674133 /nfs/dbraw/zinc/67/41/33/572674133.db2.gz PNNHAVLTQLXHOF-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H]1C[C@H](N)CC[N@H+]1C 74342428 572674134 /nfs/dbraw/zinc/67/41/34/572674134.db2.gz PNNHAVLTQLXHOF-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[C@H](C[NH3+])CN1CC=CC1 308091069 572674338 /nfs/dbraw/zinc/67/43/38/572674338.db2.gz SWALQPDNNIVWQB-SNVBAGLBSA-N 1 3 168.284 1.089 10 0 ADAEHO CN1CC[C@](C[NH3+])(CC(C)(C)C)C1 107130665 572674473 /nfs/dbraw/zinc/67/44/73/572674473.db2.gz LOCHCJCTZPDCHX-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@@H+]1CC[C@](CN)(CC(C)(C)C)C1 107130665 572674479 /nfs/dbraw/zinc/67/44/79/572674479.db2.gz LOCHCJCTZPDCHX-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@H+]1CC[C@](CN)(CC(C)(C)C)C1 107130665 572674483 /nfs/dbraw/zinc/67/44/83/572674483.db2.gz LOCHCJCTZPDCHX-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CCn1ccnc1NC[C@@H](C)CC[NH3+] 85130838 572675138 /nfs/dbraw/zinc/67/51/38/572675138.db2.gz ASIHOLNYXGPMHX-VIFPVBQESA-N 1 3 196.298 1.300 10 0 ADAEHO C[C@@H]1CC(C)([NH3+])C[C@@H](C)N1C 74342448 572675302 /nfs/dbraw/zinc/67/53/02/572675302.db2.gz YHWJCXWQRKRARM-HTQZYQBOSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@@H](CC[NH3+])CNc1ccncc1 85130809 572675652 /nfs/dbraw/zinc/67/56/52/572675652.db2.gz MZVOWJIXNNXRPO-VIFPVBQESA-N 1 3 179.267 1.478 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299894288 572675689 /nfs/dbraw/zinc/67/56/89/572675689.db2.gz VIXVXXWBGFKQJL-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@@H]2CCCN[C@H]2C1 299894288 572675692 /nfs/dbraw/zinc/67/56/92/572675692.db2.gz VIXVXXWBGFKQJL-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)(C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 299894295 572676356 /nfs/dbraw/zinc/67/63/56/572676356.db2.gz VLOLOKBFPPAULC-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C1CN[C@H]2C[N@H+](CC3CC3)C[C@@H]2C1 299894014 572675953 /nfs/dbraw/zinc/67/59/53/572675953.db2.gz RLPGSHYWRQUEOW-QWRGUYRKSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CN[C@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 299894014 572675958 /nfs/dbraw/zinc/67/59/58/572675958.db2.gz RLPGSHYWRQUEOW-QWRGUYRKSA-N 1 3 180.295 1.080 10 0 ADAEHO CC(C)(C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 299894295 572676358 /nfs/dbraw/zinc/67/63/58/572676358.db2.gz VLOLOKBFPPAULC-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](CC[NH3+])CNc1ccncc1 85130812 572676368 /nfs/dbraw/zinc/67/63/68/572676368.db2.gz MZVOWJIXNNXRPO-SECBINFHSA-N 1 3 179.267 1.478 10 0 ADAEHO CCn1ccnc1NC[C@H](C)CC[NH3+] 85130839 572676815 /nfs/dbraw/zinc/67/68/15/572676815.db2.gz ASIHOLNYXGPMHX-SECBINFHSA-N 1 3 196.298 1.300 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@H]2NCCC[C@@H]2C1 299894287 572677234 /nfs/dbraw/zinc/67/72/34/572677234.db2.gz VIXVXXWBGFKQJL-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@H]2NCCC[C@@H]2C1 299894287 572677238 /nfs/dbraw/zinc/67/72/38/572677238.db2.gz VIXVXXWBGFKQJL-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@H+]1C[C@@H](CC2CC2)C[C@@H](N)C1 250367938 572677309 /nfs/dbraw/zinc/67/73/09/572677309.db2.gz VDVJTTZCQZLVJU-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[N@@H+]1C[C@@H](CC2CC2)C[C@@H](N)C1 250367938 572677311 /nfs/dbraw/zinc/67/73/11/572677311.db2.gz VDVJTTZCQZLVJU-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](C)[NH2+]C[C@@H]1CN 253484473 572683751 /nfs/dbraw/zinc/68/37/51/572683751.db2.gz HNIQUNCKRWCCGJ-MXWKQRLJSA-N 1 3 184.327 1.605 10 0 ADAEHO CCC[C@H]1C[C@@H]1NC[C@H](C)[NH3+] 307869931 572683857 /nfs/dbraw/zinc/68/38/57/572683857.db2.gz IKQCXLMUPCINNU-CIUDSAMLSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1[C@@H](C2CCCC2)[C@@H]([NH3+])CCN1C 253483977 572684193 /nfs/dbraw/zinc/68/41/93/572684193.db2.gz CRDQHJJEWCCJGN-USWWRNFRSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@H](c2ccco2)[C@@H](CN)C[NH2+]1 253483885 572684522 /nfs/dbraw/zinc/68/45/22/572684522.db2.gz BUCSIQYUTCBITJ-UTLUCORTSA-N 1 3 194.278 1.320 10 0 ADAEHO C[C@@H]1C[C@H](c2ccco2)[C@@H](C[NH3+])CN1 253483885 572684526 /nfs/dbraw/zinc/68/45/26/572684526.db2.gz BUCSIQYUTCBITJ-UTLUCORTSA-N 1 3 194.278 1.320 10 0 ADAEHO CC(C)CC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299894720 572684621 /nfs/dbraw/zinc/68/46/21/572684621.db2.gz ZOZAPASLZHREAI-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)CC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299894720 572684625 /nfs/dbraw/zinc/68/46/25/572684625.db2.gz ZOZAPASLZHREAI-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299894719 572684819 /nfs/dbraw/zinc/68/48/19/572684819.db2.gz ZOZAPASLZHREAI-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 299894719 572684824 /nfs/dbraw/zinc/68/48/24/572684824.db2.gz ZOZAPASLZHREAI-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C)[NH2+][C@@H](C)CCN 66147895 572688172 /nfs/dbraw/zinc/68/81/72/572688172.db2.gz GFLLIVCRKKGQAO-SFYZADRCSA-N 1 3 144.262 1.112 10 0 ADAEHO C[C@@H]1C[C@@H](c2ccco2)[C@@H](CN)C[NH2+]1 253483884 572685179 /nfs/dbraw/zinc/68/51/79/572685179.db2.gz BUCSIQYUTCBITJ-KXUCPTDWSA-N 1 3 194.278 1.320 10 0 ADAEHO C[C@@H]1C[C@@H](c2ccco2)[C@@H](C[NH3+])CN1 253483884 572685183 /nfs/dbraw/zinc/68/51/83/572685183.db2.gz BUCSIQYUTCBITJ-KXUCPTDWSA-N 1 3 194.278 1.320 10 0 ADAEHO C[C@@H]1C[C@H](C2CCCC2)[C@@H](CN)C[NH2+]1 253484664 572685387 /nfs/dbraw/zinc/68/53/87/572685387.db2.gz IVAUREDLPOQIEG-ADEWGFFLSA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@@H]1[C@H](C2CCCC2)[C@@H]([NH3+])CCN1C 253483976 572685648 /nfs/dbraw/zinc/68/56/48/572685648.db2.gz CRDQHJJEWCCJGN-ADEWGFFLSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](C)[NH2+]C[C@@H]1CN 253484472 572685751 /nfs/dbraw/zinc/68/57/51/572685751.db2.gz HNIQUNCKRWCCGJ-AXFHLTTASA-N 1 3 184.327 1.605 10 0 ADAEHO CCC[C@H]1C[C@H]1NC[C@H](C)[NH3+] 307869933 572686470 /nfs/dbraw/zinc/68/64/70/572686470.db2.gz IKQCXLMUPCINNU-XHNCKOQMSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)C1(C[NH2+]C[C@@H](C)[C@@H](C)N)CC1 232531708 572686669 /nfs/dbraw/zinc/68/66/69/572686669.db2.gz XIMUSEWNCXHNLJ-GHMZBOCLSA-N 1 3 198.354 1.996 10 0 ADAEHO CCNCCC[NH2+]C(C)(C)CC 66141219 572688603 /nfs/dbraw/zinc/68/86/03/572688603.db2.gz NJGZZNMLHKGFPS-UHFFFAOYSA-N 1 3 172.316 1.764 10 0 ADAEHO C[C@@H]1CCC[C@@H](CNC(C)(C)C)[NH2+]1 66146947 572687293 /nfs/dbraw/zinc/68/72/93/572687293.db2.gz FZKQBWLDFZBHJC-ZJUUUORDSA-N 1 3 184.327 1.905 10 0 ADAEHO CCCCNC[C@@H]1CCC[C@@H](C)[NH2+]1 66147366 572687314 /nfs/dbraw/zinc/68/73/14/572687314.db2.gz JNFLSMANYPILPW-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO CCC(C)(C)[NH2+]CCCNC 66141218 572687328 /nfs/dbraw/zinc/68/73/28/572687328.db2.gz QEMBVIREAMALSN-UHFFFAOYSA-N 1 3 158.289 1.374 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H](C)CCN 66147897 572687353 /nfs/dbraw/zinc/68/73/53/572687353.db2.gz GFLLIVCRKKGQAO-YUMQZZPRSA-N 1 3 144.262 1.112 10 0 ADAEHO CC(C)NC[C@@H]1CCC[C@H](C)[NH2+]1 66147026 572687445 /nfs/dbraw/zinc/68/74/45/572687445.db2.gz GGAXNTDALKXXCN-UWVGGRQHSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@@H](C)NC[C@H]1CCC[C@H](C)[NH2+]1 66147328 572687471 /nfs/dbraw/zinc/68/74/71/572687471.db2.gz YCVADXWDXQNKRD-OUAUKWLOSA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@H](CCN)[NH2+]CCc1ccccc1 66147822 572687537 /nfs/dbraw/zinc/68/75/37/572687537.db2.gz MOISNRLATWGSBX-LLVKDONJSA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@H](CC[NH3+])NCCc1ccccc1 66147822 572687540 /nfs/dbraw/zinc/68/75/40/572687540.db2.gz MOISNRLATWGSBX-LLVKDONJSA-N 1 3 192.306 1.556 10 0 ADAEHO CC[C@H](C)NC[C@H]1CCC[C@H](C)[NH2+]1 66147329 572687576 /nfs/dbraw/zinc/68/75/76/572687576.db2.gz YCVADXWDXQNKRD-GARJFASQSA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@H](CCN)[NH2+]C(C)(C)C 66147836 572687768 /nfs/dbraw/zinc/68/77/68/572687768.db2.gz VYAMWUKXPKPEAE-SSDOTTSWSA-N 1 3 144.262 1.112 10 0 ADAEHO CCCCNC[C@H]1CCC[C@@H](C)[NH2+]1 66147367 572687788 /nfs/dbraw/zinc/68/77/88/572687788.db2.gz JNFLSMANYPILPW-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO CCCNC[C@H]1CCC[C@@H](C)[NH2+]1 66147068 572687855 /nfs/dbraw/zinc/68/78/55/572687855.db2.gz YMMZCCHREMSBLB-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO CCCNC[C@@H]1CCC[C@H](C)[NH2+]1 66147062 572687999 /nfs/dbraw/zinc/68/79/99/572687999.db2.gz YMMZCCHREMSBLB-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@H]1CCC[C@H](CNC(C)(C)C)[NH2+]1 66146945 572688121 /nfs/dbraw/zinc/68/81/21/572688121.db2.gz FZKQBWLDFZBHJC-VHSXEESVSA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@H](CCN)[NH2+]C1CCCC1 66147885 572688365 /nfs/dbraw/zinc/68/83/65/572688365.db2.gz LXEWMKDVTJPEJQ-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@@H](C)[NH2+][C@H](C)CCN 66147900 572688429 /nfs/dbraw/zinc/68/84/29/572688429.db2.gz GFLLIVCRKKGQAO-HTQZYQBOSA-N 1 3 144.262 1.112 10 0 ADAEHO CCCNC[C@H]1CCC[C@H](C)[NH2+]1 66147063 572688547 /nfs/dbraw/zinc/68/85/47/572688547.db2.gz YMMZCCHREMSBLB-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)[C@H]1C[C@@H](C)[NH2+]C[C@@H]1CN 253485900 572691258 /nfs/dbraw/zinc/69/12/58/572691258.db2.gz SITFVQOACJQCBL-KXUCPTDWSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@@H](CCN)[NH2+]C1CCCCC1 66147855 572688655 /nfs/dbraw/zinc/68/86/55/572688655.db2.gz NGBIINOXDVHLJT-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H]1C[C@H](CC(C)(C)C)[C@@H](CN)C[NH2+]1 253485673 572691262 /nfs/dbraw/zinc/69/12/62/572691262.db2.gz QGSVZAZSOUJJEW-MXWKQRLJSA-N 1 3 198.354 1.996 10 0 ADAEHO CCCC[NH2+][C@@H](C)CCN 66147911 572688808 /nfs/dbraw/zinc/68/88/08/572688808.db2.gz CMQLCZOTKJNPLL-QMMMGPOBSA-N 1 3 144.262 1.113 10 0 ADAEHO C[C@@H](CCN)[NH2+]CCc1ccccc1 66147820 572688858 /nfs/dbraw/zinc/68/88/58/572688858.db2.gz MOISNRLATWGSBX-NSHDSACASA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@@H](CC[NH3+])NCCc1ccccc1 66147820 572688862 /nfs/dbraw/zinc/68/88/62/572688862.db2.gz MOISNRLATWGSBX-NSHDSACASA-N 1 3 192.306 1.556 10 0 ADAEHO CCCC[NH2+][C@H](C)CCN 66147913 572689017 /nfs/dbraw/zinc/68/90/17/572689017.db2.gz CMQLCZOTKJNPLL-MRVPVSSYSA-N 1 3 144.262 1.113 10 0 ADAEHO C[C@@H](CCN)[NH2+]C(C)(C)C 66147830 572689118 /nfs/dbraw/zinc/68/91/18/572689118.db2.gz VYAMWUKXPKPEAE-ZETCQYMHSA-N 1 3 144.262 1.112 10 0 ADAEHO CC(C)NC[C@H]1CCC[C@H](C)[NH2+]1 66147022 572689223 /nfs/dbraw/zinc/68/92/23/572689223.db2.gz GGAXNTDALKXXCN-VHSXEESVSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@H](C)NC[C@@H]1CCC[C@H](C)[NH2+]1 66147326 572689276 /nfs/dbraw/zinc/68/92/76/572689276.db2.gz YCVADXWDXQNKRD-DCAQKATOSA-N 1 3 184.327 1.905 10 0 ADAEHO CCCNC[C@@H]1CCC[C@@H](C)[NH2+]1 66147067 572689388 /nfs/dbraw/zinc/68/93/88/572689388.db2.gz YMMZCCHREMSBLB-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@H](C)NC[C@@H]1CCC[C@H](C)[NH2+]1 66147325 572689455 /nfs/dbraw/zinc/68/94/55/572689455.db2.gz YCVADXWDXQNKRD-VWYCJHECSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@H](C)C[NH+]1CCCNCCC1 54490938 572692727 /nfs/dbraw/zinc/69/27/27/572692727.db2.gz MTZBJXRLDVDBLT-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO C[C@H]1CCC[C@@H](CNC(C)(C)C)[NH2+]1 66146948 572689957 /nfs/dbraw/zinc/68/99/57/572689957.db2.gz FZKQBWLDFZBHJC-UWVGGRQHSA-N 1 3 184.327 1.905 10 0 ADAEHO C[NH+](C)CCCNc1cccc(N)n1 87725820 572694081 /nfs/dbraw/zinc/69/40/81/572694081.db2.gz YXCZEKKGOFKCMN-UHFFFAOYSA-N 1 3 194.282 1.027 10 0 ADAEHO C[C@H](CCN)[NH2+]C1CCCCC1 66147858 572690228 /nfs/dbraw/zinc/69/02/28/572690228.db2.gz NGBIINOXDVHLJT-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H](CCN)[NH2+]C1CCCC1 66147882 572690333 /nfs/dbraw/zinc/69/03/33/572690333.db2.gz LXEWMKDVTJPEJQ-QMMMGPOBSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCCNC[C@@H]1CCC[C@H](C)[NH2+]1 66147363 572690361 /nfs/dbraw/zinc/69/03/61/572690361.db2.gz JNFLSMANYPILPW-QWRGUYRKSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)NC[C@H]1CCC[C@@H](C)[NH2+]1 66147021 572690375 /nfs/dbraw/zinc/69/03/75/572690375.db2.gz GGAXNTDALKXXCN-NXEZZACHSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@H](C)[NH2+][C@H](C)CCN 66147903 572690462 /nfs/dbraw/zinc/69/04/62/572690462.db2.gz GFLLIVCRKKGQAO-JGVFFNPUSA-N 1 3 144.262 1.112 10 0 ADAEHO CCCCNC[C@H]1CCC[C@H](C)[NH2+]1 66147364 572690726 /nfs/dbraw/zinc/69/07/26/572690726.db2.gz JNFLSMANYPILPW-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)NC[C@@H]1CCC[C@@H](C)[NH2+]1 66147024 572690761 /nfs/dbraw/zinc/69/07/61/572690761.db2.gz GGAXNTDALKXXCN-ZJUUUORDSA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@@H]1CCC[C@H](CNC(C)(C)C)[NH2+]1 66146943 572691017 /nfs/dbraw/zinc/69/10/17/572691017.db2.gz FZKQBWLDFZBHJC-NXEZZACHSA-N 1 3 184.327 1.905 10 0 ADAEHO C[NH2+]CC(C)(C)NC[C@@H](C)C1CC1 313078285 572692669 /nfs/dbraw/zinc/69/26/69/572692669.db2.gz UBYGJWLTKFQBSJ-SECBINFHSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H]1C[C@@H](C)[NH2+]C[C@@H]1CN 253485901 572691216 /nfs/dbraw/zinc/69/12/16/572691216.db2.gz SITFVQOACJQCBL-UTLUCORTSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])[C@@H](C2CCCC2)CN1C 253485589 572691520 /nfs/dbraw/zinc/69/15/20/572691520.db2.gz PQVXDSMWSYNAGT-YUSALJHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])[C@@H](C2CCCC2)CN1C 253485588 572692327 /nfs/dbraw/zinc/69/23/27/572692327.db2.gz PQVXDSMWSYNAGT-JLLWLGSASA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1[C@@H]([NH3+])CCN(C)[C@H]1C 253485364 572692435 /nfs/dbraw/zinc/69/24/35/572692435.db2.gz NZJKPOXNMRORMD-GUBZILKMSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1[C@@H](N)CC[N@H+](C)[C@H]1C 253485364 572692439 /nfs/dbraw/zinc/69/24/39/572692439.db2.gz NZJKPOXNMRORMD-GUBZILKMSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1[C@@H](N)CC[N@@H+](C)[C@H]1C 253485364 572692441 /nfs/dbraw/zinc/69/24/41/572692441.db2.gz NZJKPOXNMRORMD-GUBZILKMSA-N 1 3 170.300 1.310 10 0 ADAEHO C[C@@H]1C[C@H](C(F)(F)F)[C@@H](CN)C[NH2+]1 253485088 572693516 /nfs/dbraw/zinc/69/35/16/572693516.db2.gz LWPZWZHWVDNHEP-VQVTYTSYSA-N 1 3 196.216 1.122 10 0 ADAEHO C[C@@H]1C[C@@H](C(F)(F)F)[C@@H](CN)C[NH2+]1 253485087 572693627 /nfs/dbraw/zinc/69/36/27/572693627.db2.gz LWPZWZHWVDNHEP-DSYKOEDSSA-N 1 3 196.216 1.122 10 0 ADAEHO CC[C@@H](C)C[NH+]1CCCNCCC1 54490936 572693665 /nfs/dbraw/zinc/69/36/65/572693665.db2.gz MTZBJXRLDVDBLT-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)[C@@H]1[C@@H]([NH3+])CCN(C)[C@@H]1C 253485365 572693895 /nfs/dbraw/zinc/69/38/95/572693895.db2.gz NZJKPOXNMRORMD-UTLUCORTSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1[C@@H](N)CC[N@H+](C)[C@@H]1C 253485365 572693896 /nfs/dbraw/zinc/69/38/96/572693896.db2.gz NZJKPOXNMRORMD-UTLUCORTSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[C@@H]1[C@@H](N)CC[N@@H+](C)[C@@H]1C 253485365 572693897 /nfs/dbraw/zinc/69/38/97/572693897.db2.gz NZJKPOXNMRORMD-UTLUCORTSA-N 1 3 170.300 1.310 10 0 ADAEHO C[C@@H](N)CC(C)(C)[NH2+]C(C)(C)C 238414493 572693968 /nfs/dbraw/zinc/69/39/68/572693968.db2.gz FBCAANMILSVMIV-MRVPVSSYSA-N 1 3 172.316 1.890 10 0 ADAEHO C[C@@H]1C[C@@H](CC(C)(C)C)[C@@H](CN)C[NH2+]1 253485674 572694200 /nfs/dbraw/zinc/69/42/00/572694200.db2.gz QGSVZAZSOUJJEW-VWYCJHECSA-N 1 3 198.354 1.996 10 0 ADAEHO C[N@@H+]1CCN[C@H]2CCCC[C@H]2C1 250374412 572699493 /nfs/dbraw/zinc/69/94/93/572699493.db2.gz JUJIGUCIBVOVLF-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1CCN[C@H]2CCCC[C@H]2C1 250374412 572699497 /nfs/dbraw/zinc/69/94/97/572699497.db2.gz JUJIGUCIBVOVLF-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1=C(C)C[N@@H+]([C@@H]2CC[C@@H]2CN)CC1 307624506 572700374 /nfs/dbraw/zinc/70/03/74/572700374.db2.gz FUVBKDSAMZRPPR-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)C[N@H+]([C@@H]2CC[C@@H]2CN)CC1 307624506 572700376 /nfs/dbraw/zinc/70/03/76/572700376.db2.gz FUVBKDSAMZRPPR-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)CN([C@@H]2CC[C@@H]2C[NH3+])CC1 307624506 572700377 /nfs/dbraw/zinc/70/03/77/572700377.db2.gz FUVBKDSAMZRPPR-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)C[N@@H+]([C@@H]2CC[C@H]2CN)CC1 307624504 572699749 /nfs/dbraw/zinc/69/97/49/572699749.db2.gz FUVBKDSAMZRPPR-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)C[N@H+]([C@@H]2CC[C@H]2CN)CC1 307624504 572699754 /nfs/dbraw/zinc/69/97/54/572699754.db2.gz FUVBKDSAMZRPPR-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)CN([C@@H]2CC[C@H]2C[NH3+])CC1 307624504 572699758 /nfs/dbraw/zinc/69/97/58/572699758.db2.gz FUVBKDSAMZRPPR-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)C[N@@H+]([C@H]2CC[C@H]2CN)CC1 307624505 572699949 /nfs/dbraw/zinc/69/99/49/572699949.db2.gz FUVBKDSAMZRPPR-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)C[N@H+]([C@H]2CC[C@H]2CN)CC1 307624505 572699953 /nfs/dbraw/zinc/69/99/53/572699953.db2.gz FUVBKDSAMZRPPR-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)CN([C@H]2CC[C@H]2C[NH3+])CC1 307624505 572699957 /nfs/dbraw/zinc/69/99/57/572699957.db2.gz FUVBKDSAMZRPPR-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO C/C=C/CN(C)[C@H]1CCC[C@H]1C[NH3+] 253630760 572700108 /nfs/dbraw/zinc/70/01/08/572700108.db2.gz XTFORRFFIOREAY-SEUFLZDSSA-N 1 3 182.311 1.622 10 0 ADAEHO C[N@@H+]1CCN[C@@H]2CCCC[C@H]2C1 250374416 572700237 /nfs/dbraw/zinc/70/02/37/572700237.db2.gz JUJIGUCIBVOVLF-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1CCN[C@@H]2CCCC[C@H]2C1 250374416 572700239 /nfs/dbraw/zinc/70/02/39/572700239.db2.gz JUJIGUCIBVOVLF-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1=C(C)C[N@@H+]([C@H]2CC[C@@H]2CN)CC1 307624503 572701738 /nfs/dbraw/zinc/70/17/38/572701738.db2.gz FUVBKDSAMZRPPR-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)C[N@H+]([C@H]2CC[C@@H]2CN)CC1 307624503 572701742 /nfs/dbraw/zinc/70/17/42/572701742.db2.gz FUVBKDSAMZRPPR-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=C(C)CN([C@H]2CC[C@@H]2C[NH3+])CC1 307624503 572701743 /nfs/dbraw/zinc/70/17/43/572701743.db2.gz FUVBKDSAMZRPPR-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C(C)(C)C 54627051 572702172 /nfs/dbraw/zinc/70/21/72/572702172.db2.gz OSTWDYFOQLQOHL-FGWVZKOKSA-N 1 3 196.338 2.000 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C(C)(C)C 54627051 572702175 /nfs/dbraw/zinc/70/21/75/572702175.db2.gz OSTWDYFOQLQOHL-FGWVZKOKSA-N 1 3 196.338 2.000 10 0 ADAEHO CN1CCC[NH2+][C@@H]2CCC[C@H]2C1 250376436 572702245 /nfs/dbraw/zinc/70/22/45/572702245.db2.gz KOXHCOSNEILZNE-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H](CNCC[NH3+])c1ccc(F)cc1 238422694 572702480 /nfs/dbraw/zinc/70/24/80/572702480.db2.gz BBYODXLRXCTHNK-SECBINFHSA-N 1 3 196.269 1.478 10 0 ADAEHO CCN[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)C1 70557940 572702815 /nfs/dbraw/zinc/70/28/15/572702815.db2.gz GMIIZZULJONUFS-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70557940 572702820 /nfs/dbraw/zinc/70/28/20/572702820.db2.gz GMIIZZULJONUFS-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(NC)C2 54603203 572702939 /nfs/dbraw/zinc/70/29/39/572702939.db2.gz PMNCCTPIXWJPGF-WAAKLRNESA-N 1 3 196.338 2.000 10 0 ADAEHO CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(NC)C2 54603203 572702943 /nfs/dbraw/zinc/70/29/43/572702943.db2.gz PMNCCTPIXWJPGF-WAAKLRNESA-N 1 3 196.338 2.000 10 0 ADAEHO CN1CCC[NH2+][C@H]2CCC[C@H]2C1 250376434 572702982 /nfs/dbraw/zinc/70/29/82/572702982.db2.gz KOXHCOSNEILZNE-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 54627036 572704001 /nfs/dbraw/zinc/70/40/01/572704001.db2.gz HCUUKIQIPWFQKF-YOGCLGLASA-N 1 3 194.322 1.611 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 54627036 572704004 /nfs/dbraw/zinc/70/40/04/572704004.db2.gz HCUUKIQIPWFQKF-YOGCLGLASA-N 1 3 194.322 1.611 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC(C)C 54603343 572703695 /nfs/dbraw/zinc/70/36/95/572703695.db2.gz UBZNPPZCQSVHQC-YOGCLGLASA-N 1 3 196.338 1.857 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@H+]2CC(C)C 54603343 572703700 /nfs/dbraw/zinc/70/37/00/572703700.db2.gz UBZNPPZCQSVHQC-YOGCLGLASA-N 1 3 196.338 1.857 10 0 ADAEHO CCNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CC1 54603340 572703730 /nfs/dbraw/zinc/70/37/30/572703730.db2.gz COKYAXMNMJVSBD-CLYYMRHHSA-N 1 3 194.322 1.754 10 0 ADAEHO CCNC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 54603340 572703735 /nfs/dbraw/zinc/70/37/35/572703735.db2.gz COKYAXMNMJVSBD-CLYYMRHHSA-N 1 3 194.322 1.754 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H]1C[C@H](C)NC 253621142 572703771 /nfs/dbraw/zinc/70/37/71/572703771.db2.gz ZOQWVDLRDNEKCW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@H+]1CCCC[C@@H]1C[C@H](C)NC 253621142 572703775 /nfs/dbraw/zinc/70/37/75/572703775.db2.gz ZOQWVDLRDNEKCW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+]C1CCC(N(C)CCF)CC1 87774085 572705109 /nfs/dbraw/zinc/70/51/09/572705109.db2.gz FGWPTERRBZTWBD-UHFFFAOYSA-N 1 3 188.290 1.418 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CCC1 54627993 572705407 /nfs/dbraw/zinc/70/54/07/572705407.db2.gz CVBPXJPDNDOKJZ-YOGCLGLASA-N 1 3 194.322 1.741 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CCC1 54627993 572705412 /nfs/dbraw/zinc/70/54/12/572705412.db2.gz CVBPXJPDNDOKJZ-YOGCLGLASA-N 1 3 194.322 1.741 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@H]1CNC(C)(C)C 235312117 572705555 /nfs/dbraw/zinc/70/55/55/572705555.db2.gz WXQQRTIJODMAMM-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO NCCC[NH2+]CCCCCF 307875733 572705568 /nfs/dbraw/zinc/70/55/68/572705568.db2.gz MSQQPDMSIYOITA-UHFFFAOYSA-N 1 3 162.252 1.065 10 0 ADAEHO C/C=C\CC[NH2+][C@@H]1CCC[C@@H](N)C1 308095124 572705914 /nfs/dbraw/zinc/70/59/14/572705914.db2.gz YTJDYWACIYXXKY-LVUHIJSRSA-N 1 3 182.311 1.812 10 0 ADAEHO CCN1CCCC[C@H]1C[C@H](C)[NH2+]C 253621141 572705880 /nfs/dbraw/zinc/70/58/80/572705880.db2.gz ZOQWVDLRDNEKCW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+]1CCCC[C@H]1C[C@H](C)NC 253621141 572705884 /nfs/dbraw/zinc/70/58/84/572705884.db2.gz ZOQWVDLRDNEKCW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@H+]1CCCC[C@H]1C[C@H](C)NC 253621141 572705886 /nfs/dbraw/zinc/70/58/86/572705886.db2.gz ZOQWVDLRDNEKCW-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO C/C=C\CC[NH2+][C@@H]1CCC[C@H](N)C1 308095126 572706330 /nfs/dbraw/zinc/70/63/30/572706330.db2.gz YTJDYWACIYXXKY-MMJBKMRYSA-N 1 3 182.311 1.812 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CCC1 54628651 572706783 /nfs/dbraw/zinc/70/67/83/572706783.db2.gz WEKUJZVKVZASJI-CLYYMRHHSA-N 1 3 194.322 1.754 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCC1 54628651 572706787 /nfs/dbraw/zinc/70/67/87/572706787.db2.gz WEKUJZVKVZASJI-CLYYMRHHSA-N 1 3 194.322 1.754 10 0 ADAEHO CCSCCC[N@H+](C)C[C@H](C)N 308099951 572709494 /nfs/dbraw/zinc/70/94/94/572709494.db2.gz FYOFIROSIQOPSS-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CCSCCC[N@@H+](C)C[C@H](C)N 308099951 572709495 /nfs/dbraw/zinc/70/94/95/572709495.db2.gz FYOFIROSIQOPSS-VIFPVBQESA-N 1 3 190.356 1.409 10 0 ADAEHO CCSCCC[N@H+](C)C[C@@H](C)N 308099950 572709845 /nfs/dbraw/zinc/70/98/45/572709845.db2.gz FYOFIROSIQOPSS-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CCSCCC[N@@H+](C)C[C@@H](C)N 308099950 572709847 /nfs/dbraw/zinc/70/98/47/572709847.db2.gz FYOFIROSIQOPSS-SECBINFHSA-N 1 3 190.356 1.409 10 0 ADAEHO CCS[C@H]1CCC[C@H]1NCC[NH3+] 308097599 572711098 /nfs/dbraw/zinc/71/10/98/572711098.db2.gz DUQKFGGUKVEHJF-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO CCN(CCF)CC1CC[NH2+]CC1 87776684 572711521 /nfs/dbraw/zinc/71/15/21/572711521.db2.gz YIYSCJOMGFXWRP-UHFFFAOYSA-N 1 3 188.290 1.277 10 0 ADAEHO CC[NH+]1CCC(CNCCF)CC1 87774995 572712597 /nfs/dbraw/zinc/71/25/97/572712597.db2.gz IPKHKCXUYRDPND-UHFFFAOYSA-N 1 3 188.290 1.277 10 0 ADAEHO CCS[C@@H]1CCC[C@@H]1NCC[NH3+] 308097600 572712811 /nfs/dbraw/zinc/71/28/11/572712811.db2.gz DUQKFGGUKVEHJF-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO CCCC[C@@H](C[NH3+])Nc1nccn1C 87780115 572713862 /nfs/dbraw/zinc/71/38/62/572713862.db2.gz FZPZTEPUZBWYTJ-VIFPVBQESA-N 1 3 196.298 1.350 10 0 ADAEHO CCS[C@H]1CCC[C@@H]1NCC[NH3+] 308097601 572713892 /nfs/dbraw/zinc/71/38/92/572713892.db2.gz DUQKFGGUKVEHJF-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO CCS[C@@H]1CCC[C@H]1NCC[NH3+] 308097602 572714047 /nfs/dbraw/zinc/71/40/47/572714047.db2.gz DUQKFGGUKVEHJF-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO [NH3+]CCC[C@H]1CCCN1CCF 87777360 572714256 /nfs/dbraw/zinc/71/42/56/572714256.db2.gz KZCQDJLIRADXDH-VIFPVBQESA-N 1 3 174.263 1.159 10 0 ADAEHO CCCC[C@H](C[NH3+])Nc1nccn1C 87780117 572715124 /nfs/dbraw/zinc/71/51/24/572715124.db2.gz FZPZTEPUZBWYTJ-SECBINFHSA-N 1 3 196.298 1.350 10 0 ADAEHO CN(CCF)CCC1CC[NH2+]CC1 87779103 572715209 /nfs/dbraw/zinc/71/52/09/572715209.db2.gz MBSGQLIDJJBOLR-UHFFFAOYSA-N 1 3 188.290 1.277 10 0 ADAEHO C[C@H](CC[NH3+])N1CCCSCC1 48895987 572715928 /nfs/dbraw/zinc/71/59/28/572715928.db2.gz PVURNHUWZGOXKS-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCCSCC1 48895987 572715940 /nfs/dbraw/zinc/71/59/40/572715940.db2.gz PVURNHUWZGOXKS-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCCSCC1 48895987 572715948 /nfs/dbraw/zinc/71/59/48/572715948.db2.gz PVURNHUWZGOXKS-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO [NH3+]CCC[C@@H]1CCCN1CCF 87777361 572716857 /nfs/dbraw/zinc/71/68/57/572716857.db2.gz KZCQDJLIRADXDH-SECBINFHSA-N 1 3 174.263 1.159 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CN)C2)C1 70644858 572717124 /nfs/dbraw/zinc/71/71/24/572717124.db2.gz XSKLEKRQZCVTKO-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CN)C2)C1 70644858 572717126 /nfs/dbraw/zinc/71/71/26/572717126.db2.gz XSKLEKRQZCVTKO-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCCCN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283823 572718249 /nfs/dbraw/zinc/71/82/49/572718249.db2.gz LETVZOLPMFYEEE-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]([NH3+])CCSCCN(C)C 85316841 572725293 /nfs/dbraw/zinc/72/52/93/572725293.db2.gz QEILQUVYNBZIPF-QMMMGPOBSA-N 1 3 176.329 1.019 10 0 ADAEHO CCN(C)Cc1cc(C[NH3+])sc1C 87794441 572718810 /nfs/dbraw/zinc/71/88/10/572718810.db2.gz CBRTYOBJQAVJQF-UHFFFAOYSA-N 1 3 198.335 1.967 10 0 ADAEHO CCCN(c1ccncc1)C1C[NH2+]C1 85271472 572720101 /nfs/dbraw/zinc/72/01/01/572720101.db2.gz MAZOZHFUOOFIAG-UHFFFAOYSA-N 1 3 191.278 1.270 10 0 ADAEHO CCSC[C@H](C)N[C@@H](C)[C@@H](C)[NH3+] 308099925 572720245 /nfs/dbraw/zinc/72/02/45/572720245.db2.gz FXJCNABYMNYWOT-YIZRAAEISA-N 1 3 190.356 1.453 10 0 ADAEHO C[NH2+]Cc1cc(CN(C)C)c(C)s1 87794419 572720599 /nfs/dbraw/zinc/72/05/99/572720599.db2.gz IZJDONBYKWNLAO-UHFFFAOYSA-N 1 3 198.335 1.838 10 0 ADAEHO C/C=C\CCNCC(C)(C)[NH3+] 307884904 572721350 /nfs/dbraw/zinc/72/13/50/572721350.db2.gz UEOCGQWOKISVRS-PLNGDYQASA-N 1 3 156.273 1.280 10 0 ADAEHO CCSC[C@H](C)N[C@H](C)[C@@H](C)[NH3+] 308099923 572721479 /nfs/dbraw/zinc/72/14/79/572721479.db2.gz FXJCNABYMNYWOT-DJLDLDEBSA-N 1 3 190.356 1.453 10 0 ADAEHO CCC[C@H]([NH3+])CNCCCF 307884806 572721480 /nfs/dbraw/zinc/72/14/80/572721480.db2.gz WEOLRALYNILLGG-QMMMGPOBSA-N 1 3 162.252 1.063 10 0 ADAEHO CCC[C@@H]([NH3+])CNCCCF 307884805 572721564 /nfs/dbraw/zinc/72/15/64/572721564.db2.gz WEOLRALYNILLGG-MRVPVSSYSA-N 1 3 162.252 1.063 10 0 ADAEHO CCSC[C@H](C)N[C@@H](C)[C@H](C)[NH3+] 308099922 572722516 /nfs/dbraw/zinc/72/25/16/572722516.db2.gz FXJCNABYMNYWOT-CIUDSAMLSA-N 1 3 190.356 1.453 10 0 ADAEHO CCSC[C@H](C)N[C@H](C)[C@H](C)[NH3+] 308099924 572723185 /nfs/dbraw/zinc/72/31/85/572723185.db2.gz FXJCNABYMNYWOT-XHNCKOQMSA-N 1 3 190.356 1.453 10 0 ADAEHO CCC1(C[NH2+][C@H](C)CCN)CC1 308105643 572724414 /nfs/dbraw/zinc/72/44/14/572724414.db2.gz HSZQOVWGBYIHBQ-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H]([NH3+])CCSCCN(C)C 85316842 572724685 /nfs/dbraw/zinc/72/46/85/572724685.db2.gz QEILQUVYNBZIPF-MRVPVSSYSA-N 1 3 176.329 1.019 10 0 ADAEHO CCC1(C[NH2+][C@@H](C)CCN)CC1 308105644 572724967 /nfs/dbraw/zinc/72/49/67/572724967.db2.gz HSZQOVWGBYIHBQ-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CCCN1CCC[C@](C)(C[NH3+])C1 688701776 572737408 /nfs/dbraw/zinc/73/74/08/572737408.db2.gz GBLJJJSREJGFEJ-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO C[C@@H](CC[NH3+])SCCN(C)C 85344689 572729317 /nfs/dbraw/zinc/72/93/17/572729317.db2.gz NTYAAXGDHKWTCX-QMMMGPOBSA-N 1 3 176.329 1.019 10 0 ADAEHO C[C@H](CC[NH3+])SCCN(C)C 85344690 572730039 /nfs/dbraw/zinc/73/00/39/572730039.db2.gz NTYAAXGDHKWTCX-MRVPVSSYSA-N 1 3 176.329 1.019 10 0 ADAEHO CN(C)CCSCC(C)(C)[NH3+] 85350485 572729722 /nfs/dbraw/zinc/72/97/22/572729722.db2.gz HTVQOBCYKPESIR-UHFFFAOYSA-N 1 3 176.329 1.019 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1CNC(C)(C)C 235323812 572729740 /nfs/dbraw/zinc/72/97/40/572729740.db2.gz WXQQRTIJODMAMM-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@H]([NH3+])CSCCN(C)C 85348599 572729891 /nfs/dbraw/zinc/72/98/91/572729891.db2.gz DZFLLVXAYHDWPI-QMMMGPOBSA-N 1 3 176.329 1.019 10 0 ADAEHO CC[C@@H]([NH3+])CSCCN(C)C 85348600 572731549 /nfs/dbraw/zinc/73/15/49/572731549.db2.gz DZFLLVXAYHDWPI-MRVPVSSYSA-N 1 3 176.329 1.019 10 0 ADAEHO C[n+]1cc(C2(N)CC2)cc2ccccc21 238464306 572732511 /nfs/dbraw/zinc/73/25/11/572732511.db2.gz CJDFGOZGGXYOQM-UHFFFAOYSA-N 1 3 199.277 1.612 10 0 ADAEHO CSC(C)(C)CN[C@@H](C)[C@H](C)[NH3+] 308110284 572732777 /nfs/dbraw/zinc/73/27/77/572732777.db2.gz JVUJAPZXKIKKDN-YUMQZZPRSA-N 1 3 190.356 1.453 10 0 ADAEHO CSC(C)(C)CN[C@@H](C)[C@@H](C)[NH3+] 308110283 572733722 /nfs/dbraw/zinc/73/37/22/572733722.db2.gz JVUJAPZXKIKKDN-SFYZADRCSA-N 1 3 190.356 1.453 10 0 ADAEHO CC1(C)CNCC(C)(C)C[NH2+]C1 196674287 572735008 /nfs/dbraw/zinc/73/50/08/572735008.db2.gz AQHXUCHJMBACBF-UHFFFAOYSA-N 1 3 170.300 1.232 10 0 ADAEHO CCCN1CCC[C@@](C)(C[NH3+])C1 688701768 572736233 /nfs/dbraw/zinc/73/62/33/572736233.db2.gz GBLJJJSREJGFEJ-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO C[C@H](N)CC(C)(C)[NH2+]C(C)(C)C 238479020 572738758 /nfs/dbraw/zinc/73/87/58/572738758.db2.gz FBCAANMILSVMIV-QMMMGPOBSA-N 1 3 172.316 1.890 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CC[C@@H]1CN 87922141 572742146 /nfs/dbraw/zinc/74/21/46/572742146.db2.gz OPTLOOXVGKFCBY-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(CC)CC 87921486 572742348 /nfs/dbraw/zinc/74/23/48/572742348.db2.gz XMKCATLVWILZQA-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@H+](C)CC1CC1 87922476 572742395 /nfs/dbraw/zinc/74/23/95/572742395.db2.gz BYKXNQADGXJWDW-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO C1CC[NH+]([C@H]2CC[C@@H]2CNC2CC2)C1 87921396 572742200 /nfs/dbraw/zinc/74/22/00/572742200.db2.gz UZXQMVHQPJJKST-PWSUYJOCSA-N 1 3 194.322 1.613 10 0 ADAEHO NC1CC([NH2+]CC2(C3CC3)CC2)C1 236195061 572742738 /nfs/dbraw/zinc/74/27/38/572742738.db2.gz XQDGZIHIUOPVQY-UHFFFAOYSA-N 1 3 180.295 1.256 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)C(C)C 87921691 572742970 /nfs/dbraw/zinc/74/29/70/572742970.db2.gz BFUGARMZPZZERL-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@H]1CC[C@@H]1CN 87922073 572743552 /nfs/dbraw/zinc/74/35/52/572743552.db2.gz GMFSPYDYGNQWBJ-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)CC1CCC1 87922953 572742077 /nfs/dbraw/zinc/74/20/77/572742077.db2.gz ASCPGAFMYWFVIK-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCN(C)[C@H]1CC[C@@H]1C[NH2+]CC 87921934 572741666 /nfs/dbraw/zinc/74/16/66/572741666.db2.gz WMNFQIGZHCPPBB-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CC[C@H]1N1CCCC1 87921426 572741673 /nfs/dbraw/zinc/74/16/73/572741673.db2.gz YGZGXNCVOJWFQV-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922381 572741681 /nfs/dbraw/zinc/74/16/81/572741681.db2.gz LPKPJTGKERZOGO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922381 572741684 /nfs/dbraw/zinc/74/16/84/572741684.db2.gz LPKPJTGKERZOGO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1CN 87922102 572741719 /nfs/dbraw/zinc/74/17/19/572741719.db2.gz YDWPGWLXGDMDII-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87922102 572741722 /nfs/dbraw/zinc/74/17/22/572741722.db2.gz YDWPGWLXGDMDII-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87922647 572741748 /nfs/dbraw/zinc/74/17/48/572741748.db2.gz JAPRCMCKFCSSRP-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87922647 572741753 /nfs/dbraw/zinc/74/17/53/572741753.db2.gz JAPRCMCKFCSSRP-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(CC)C1CC1 87922124 572741772 /nfs/dbraw/zinc/74/17/72/572741772.db2.gz QFUCNMQEDXLOJZ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N(C)C1CC1 87921965 572741820 /nfs/dbraw/zinc/74/18/20/572741820.db2.gz PVGCUKWITZREBT-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC[N@H+](CC)[C@H]1CC[C@@H]1CN 87921656 572741884 /nfs/dbraw/zinc/74/18/84/572741884.db2.gz NDKOSTXWTBWVSX-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@@H+](CC)[C@H]1CC[C@@H]1CN 87921656 572741885 /nfs/dbraw/zinc/74/18/85/572741885.db2.gz NDKOSTXWTBWVSX-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922058 572741900 /nfs/dbraw/zinc/74/19/00/572741900.db2.gz LHPUPGGXWFZLCE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922058 572741903 /nfs/dbraw/zinc/74/19/03/572741903.db2.gz LHPUPGGXWFZLCE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCN(C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922058 572741907 /nfs/dbraw/zinc/74/19/07/572741907.db2.gz LHPUPGGXWFZLCE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CC[C@H]1N(C)C1CC1 87921985 572741943 /nfs/dbraw/zinc/74/19/43/572741943.db2.gz QYXHUZJHRXQHAS-ZYHUDNBSSA-N 1 3 196.338 1.857 10 0 ADAEHO CCN(C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921986 572741961 /nfs/dbraw/zinc/74/19/61/572741961.db2.gz KGCBOBUWIIQGOQ-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@H+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921986 572741965 /nfs/dbraw/zinc/74/19/65/572741965.db2.gz KGCBOBUWIIQGOQ-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921986 572741970 /nfs/dbraw/zinc/74/19/70/572741970.db2.gz KGCBOBUWIIQGOQ-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CCNC[C@H]1CC[C@@H]1[N@H+](C)CC(C)C 87922145 572741983 /nfs/dbraw/zinc/74/19/83/572741983.db2.gz PXVQDNFKEYHPCV-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H]1CC[C@@H]1[N@@H+](C)CC(C)C 87922145 572741987 /nfs/dbraw/zinc/74/19/87/572741987.db2.gz PXVQDNFKEYHPCV-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)CC(C)C 87922145 572741991 /nfs/dbraw/zinc/74/19/91/572741991.db2.gz PXVQDNFKEYHPCV-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCN(C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87922056 572742032 /nfs/dbraw/zinc/74/20/32/572742032.db2.gz JOEGEVQRQYSIQW-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H]1CC[C@@H]1CNC 87922056 572742036 /nfs/dbraw/zinc/74/20/36/572742036.db2.gz JOEGEVQRQYSIQW-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1CNC 87922056 572742038 /nfs/dbraw/zinc/74/20/38/572742038.db2.gz JOEGEVQRQYSIQW-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CC[C@@H]1CNC 87922015 572744001 /nfs/dbraw/zinc/74/40/01/572744001.db2.gz MIRXVCWVJAXXPJ-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(C)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87922005 572742054 /nfs/dbraw/zinc/74/20/54/572742054.db2.gz XLCLATLKRCGCTK-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)CC1CCC1 87922953 572742072 /nfs/dbraw/zinc/74/20/72/572742072.db2.gz ASCPGAFMYWFVIK-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)CC1CCC1 87922953 572742084 /nfs/dbraw/zinc/74/20/84/572742084.db2.gz ASCPGAFMYWFVIK-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N1CCCCC1 87921748 572742099 /nfs/dbraw/zinc/74/20/99/572742099.db2.gz BTXMNWBBWPISFI-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(CC)C1CC1 87922125 572742121 /nfs/dbraw/zinc/74/21/21/572742121.db2.gz QFUCNMQEDXLOJZ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CC[C@@H]1CN 87922141 572742143 /nfs/dbraw/zinc/74/21/43/572742143.db2.gz OPTLOOXVGKFCBY-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO C1CCN([C@H]2CC[C@@H]2C[NH2+]C2CC2)C1 87921396 572742196 /nfs/dbraw/zinc/74/21/96/572742196.db2.gz UZXQMVHQPJJKST-PWSUYJOCSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CC[C@@H]1CN 87922179 572742214 /nfs/dbraw/zinc/74/22/14/572742214.db2.gz AWSOSUHTNKWDLN-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922179 572742219 /nfs/dbraw/zinc/74/22/19/572742219.db2.gz AWSOSUHTNKWDLN-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87921201 572742294 /nfs/dbraw/zinc/74/22/94/572742294.db2.gz ZHTSBNJFHSERDQ-VXGBXAGGSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87921201 572742299 /nfs/dbraw/zinc/74/22/99/572742299.db2.gz ZHTSBNJFHSERDQ-VXGBXAGGSA-N 1 3 196.338 1.844 10 0 ADAEHO CCCN(C1CC1)[C@H]1CC[C@@H]1C[NH2+]C 87922057 572742363 /nfs/dbraw/zinc/74/23/63/572742363.db2.gz JOEGEVQRQYSIQW-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H]1CC[C@@H]1CNC 87922057 572742364 /nfs/dbraw/zinc/74/23/64/572742364.db2.gz JOEGEVQRQYSIQW-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1CNC 87922057 572742368 /nfs/dbraw/zinc/74/23/68/572742368.db2.gz JOEGEVQRQYSIQW-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CC[C@@H]1CNC 87922014 572746205 /nfs/dbraw/zinc/74/62/05/572746205.db2.gz MIRXVCWVJAXXPJ-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)CC1CC1 87922476 572742392 /nfs/dbraw/zinc/74/23/92/572742392.db2.gz BYKXNQADGXJWDW-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922476 572742397 /nfs/dbraw/zinc/74/23/97/572742397.db2.gz BYKXNQADGXJWDW-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@H+](CC(C)C)[C@@H]1CC[C@@H]1CN 87922072 572742413 /nfs/dbraw/zinc/74/24/13/572742413.db2.gz GMFSPYDYGNQWBJ-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H]1CN 87922072 572742416 /nfs/dbraw/zinc/74/24/16/572742416.db2.gz GMFSPYDYGNQWBJ-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CCCN(C)[C@H]1CC[C@@H]1C[NH2+]C 87921927 572742427 /nfs/dbraw/zinc/74/24/27/572742427.db2.gz HWRUUZRCXUADTN-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@@H]1CNC 87921927 572742430 /nfs/dbraw/zinc/74/24/30/572742430.db2.gz HWRUUZRCXUADTN-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@@H]1CNC 87921927 572742434 /nfs/dbraw/zinc/74/24/34/572742434.db2.gz HWRUUZRCXUADTN-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87921910 572742471 /nfs/dbraw/zinc/74/24/71/572742471.db2.gz XYXZLWUJOYLKSQ-OPRDCNLKSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87921910 572742475 /nfs/dbraw/zinc/74/24/75/572742475.db2.gz XYXZLWUJOYLKSQ-OPRDCNLKSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H]1CN 87923212 572742506 /nfs/dbraw/zinc/74/25/06/572742506.db2.gz AIDBOTMUIWDTEI-GWOFURMSSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87923212 572742508 /nfs/dbraw/zinc/74/25/08/572742508.db2.gz AIDBOTMUIWDTEI-GWOFURMSSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)[C@@H]1CC[C@@H]1C[NH3+] 87923212 572742512 /nfs/dbraw/zinc/74/25/12/572742512.db2.gz AIDBOTMUIWDTEI-GWOFURMSSA-N 1 3 182.311 1.312 10 0 ADAEHO C[N@H+](CC1CCC1)[C@@H]1CC[C@@H]1CN 87922956 572742526 /nfs/dbraw/zinc/74/25/26/572742526.db2.gz NBNMQYWIXIZHAV-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@@H]1CC[C@@H]1CN 87922956 572742534 /nfs/dbraw/zinc/74/25/34/572742534.db2.gz NBNMQYWIXIZHAV-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[N@@H+](C1CCCC1)[C@@H]1CC[C@@H]1CN 87922244 572742603 /nfs/dbraw/zinc/74/26/03/572742603.db2.gz QTWISGNCXMVVKN-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](C1CCCC1)[C@@H]1CC[C@@H]1CN 87922244 572742607 /nfs/dbraw/zinc/74/26/07/572742607.db2.gz QTWISGNCXMVVKN-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO NCCC[NH2+]CC1(C2CC2)CC1 236199472 572742613 /nfs/dbraw/zinc/74/26/13/572742613.db2.gz MBSCQHWFLWKPAA-UHFFFAOYSA-N 1 3 168.284 1.115 10 0 ADAEHO C1CCN([C@@H]2CC[C@H]2C[NH2+]C2CC2)C1 87921397 572742614 /nfs/dbraw/zinc/74/26/14/572742614.db2.gz UZXQMVHQPJJKST-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[NH+]([C@@H]2CC[C@H]2CNC2CC2)C1 87921397 572742617 /nfs/dbraw/zinc/74/26/17/572742617.db2.gz UZXQMVHQPJJKST-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[N@H+](CC(C)C)[C@@H]1CC[C@@H]1CNC 87922070 572742632 /nfs/dbraw/zinc/74/26/32/572742632.db2.gz RZOBNSRRVGYMSD-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H]1CNC 87922070 572742635 /nfs/dbraw/zinc/74/26/35/572742635.db2.gz RZOBNSRRVGYMSD-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N1CCCCC1 87921749 572742641 /nfs/dbraw/zinc/74/26/41/572742641.db2.gz BTXMNWBBWPISFI-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87921338 572742650 /nfs/dbraw/zinc/74/26/50/572742650.db2.gz DBWXWRHFNPMSKF-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87921338 572742651 /nfs/dbraw/zinc/74/26/51/572742651.db2.gz DBWXWRHFNPMSKF-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N1CCCC1 87921420 572742658 /nfs/dbraw/zinc/74/26/58/572742658.db2.gz QCAHRRWLWJPPIP-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N(C)CC 87921992 572742668 /nfs/dbraw/zinc/74/26/68/572742668.db2.gz PIZUSNWEDPGYQO-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)CC 87922003 572742688 /nfs/dbraw/zinc/74/26/88/572742688.db2.gz WAXGKUQERSAFFM-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CC[C@H]1N1CCCC1 87921425 572742702 /nfs/dbraw/zinc/74/27/02/572742702.db2.gz YGZGXNCVOJWFQV-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)[C@@H](C)C1CC1 87922330 572742716 /nfs/dbraw/zinc/74/27/16/572742716.db2.gz YOHGMWIRBKTVHK-MVWJERBFSA-N 1 3 196.338 1.715 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C1CC1 87922330 572742722 /nfs/dbraw/zinc/74/27/22/572742722.db2.gz YOHGMWIRBKTVHK-MVWJERBFSA-N 1 3 196.338 1.715 10 0 ADAEHO [NH3+]C1CC(NCC2(C3CC3)CC2)C1 236195061 572742746 /nfs/dbraw/zinc/74/27/46/572742746.db2.gz XQDGZIHIUOPVQY-UHFFFAOYSA-N 1 3 180.295 1.256 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@H]1N(C)C 87921788 572742876 /nfs/dbraw/zinc/74/28/76/572742876.db2.gz MXWREFRXUAPJNO-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+](C)C1CCCC1 87921944 572742920 /nfs/dbraw/zinc/74/29/20/572742920.db2.gz SJYAUZLJWOFFJJ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+](C)C1CCCC1 87921944 572742923 /nfs/dbraw/zinc/74/29/23/572742923.db2.gz SJYAUZLJWOFFJJ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+](C)C1CCCC1 87921946 572742955 /nfs/dbraw/zinc/74/29/55/572742955.db2.gz SJYAUZLJWOFFJJ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+](C)C1CCCC1 87921946 572742956 /nfs/dbraw/zinc/74/29/56/572742956.db2.gz SJYAUZLJWOFFJJ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@H]1N(C)CC 87921993 572742987 /nfs/dbraw/zinc/74/29/87/572742987.db2.gz PIZUSNWEDPGYQO-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](CC(C)C)[C@H]1CC[C@@H]1CNC 87922071 572743006 /nfs/dbraw/zinc/74/30/06/572743006.db2.gz RZOBNSRRVGYMSD-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@H]1CC[C@@H]1CNC 87922071 572743011 /nfs/dbraw/zinc/74/30/11/572743011.db2.gz RZOBNSRRVGYMSD-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(CC)[C@H]1CC[C@@H]1C[NH2+]C 87921472 572743019 /nfs/dbraw/zinc/74/30/19/572743019.db2.gz AWNAZDAGQUYDGU-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@@H]1CNC 87921472 572743023 /nfs/dbraw/zinc/74/30/23/572743023.db2.gz AWNAZDAGQUYDGU-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)CC(C)(C)C 87922838 572743033 /nfs/dbraw/zinc/74/30/33/572743033.db2.gz CIRFUVCCOZXYSN-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)CC(C)(C)C 87922838 572743035 /nfs/dbraw/zinc/74/30/35/572743035.db2.gz CIRFUVCCOZXYSN-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)CC(C)(C)C 87922838 572743038 /nfs/dbraw/zinc/74/30/38/572743038.db2.gz CIRFUVCCOZXYSN-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)CCC(C)C 87922791 572743081 /nfs/dbraw/zinc/74/30/81/572743081.db2.gz AGIMSDUJCYBYKP-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)CCC(C)C 87922791 572743083 /nfs/dbraw/zinc/74/30/83/572743083.db2.gz AGIMSDUJCYBYKP-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)CCC(C)C 87922791 572743085 /nfs/dbraw/zinc/74/30/85/572743085.db2.gz AGIMSDUJCYBYKP-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@H]1N1CCCC1 87921406 572743093 /nfs/dbraw/zinc/74/30/93/572743093.db2.gz WFZZNMYWDMQCAJ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921673 572743115 /nfs/dbraw/zinc/74/31/15/572743115.db2.gz OQJVMZDZCHWSFP-ZYHUDNBSSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921673 572743119 /nfs/dbraw/zinc/74/31/19/572743119.db2.gz OQJVMZDZCHWSFP-ZYHUDNBSSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921673 572743123 /nfs/dbraw/zinc/74/31/23/572743123.db2.gz OQJVMZDZCHWSFP-ZYHUDNBSSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@@H]1CNC1CC1 87921459 572743131 /nfs/dbraw/zinc/74/31/31/572743131.db2.gz ONUQHIPNJGLQTK-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921459 572743139 /nfs/dbraw/zinc/74/31/39/572743139.db2.gz ONUQHIPNJGLQTK-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1CC[C@@H]1N(C)C 87921782 572743155 /nfs/dbraw/zinc/74/31/55/572743155.db2.gz INLYQZJSKQTWRR-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[C@@H]1CN 87923214 572743193 /nfs/dbraw/zinc/74/31/93/572743193.db2.gz AIDBOTMUIWDTEI-CHWFTXMASA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87923214 572743195 /nfs/dbraw/zinc/74/31/95/572743195.db2.gz AIDBOTMUIWDTEI-CHWFTXMASA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)[C@@H]1CC[C@@H]1C[NH3+] 87923214 572743198 /nfs/dbraw/zinc/74/31/98/572743198.db2.gz AIDBOTMUIWDTEI-CHWFTXMASA-N 1 3 182.311 1.312 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1CCC[C@@H](C)C1 87921547 572743213 /nfs/dbraw/zinc/74/32/13/572743213.db2.gz LKFUIHFZDCALRY-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1CCC[C@@H](C)C1 87921547 572743217 /nfs/dbraw/zinc/74/32/17/572743217.db2.gz LKFUIHFZDCALRY-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N1CCC[C@@H](C)C1 87921547 572743220 /nfs/dbraw/zinc/74/32/20/572743220.db2.gz LKFUIHFZDCALRY-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CC[C@@H]1CNC1CC1 87921674 572743582 /nfs/dbraw/zinc/74/35/82/572743582.db2.gz OQJVMZDZCHWSFP-PWSUYJOCSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CC[C@@H]2CN)C1 87921718 572743237 /nfs/dbraw/zinc/74/32/37/572743237.db2.gz PVJUKZFSEIOLJJ-DDHJBXDOSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CC[C@@H]1CNC1CC1 87921674 572743584 /nfs/dbraw/zinc/74/35/84/572743584.db2.gz OQJVMZDZCHWSFP-PWSUYJOCSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87923233 572743268 /nfs/dbraw/zinc/74/32/68/572743268.db2.gz LENKLMAROBOGEG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87923233 572743271 /nfs/dbraw/zinc/74/32/71/572743271.db2.gz LENKLMAROBOGEG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1CCC[C@@H]1C 87921336 572743284 /nfs/dbraw/zinc/74/32/84/572743284.db2.gz AEXDHIJZAKJVHU-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 87921336 572743290 /nfs/dbraw/zinc/74/32/90/572743290.db2.gz AEXDHIJZAKJVHU-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@H]2CCC[C@H]2C)CC1 70831953 572743304 /nfs/dbraw/zinc/74/33/04/572743304.db2.gz JLOPIACXCFITPC-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CCC[C@H]2C)CC1 70831953 572743308 /nfs/dbraw/zinc/74/33/08/572743308.db2.gz JLOPIACXCFITPC-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)C(C)C 87921689 572743310 /nfs/dbraw/zinc/74/33/10/572743310.db2.gz BFUGARMZPZZERL-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922118 572743322 /nfs/dbraw/zinc/74/33/22/572743322.db2.gz AQJOLIOJSOLIRP-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922118 572743323 /nfs/dbraw/zinc/74/33/23/572743323.db2.gz AQJOLIOJSOLIRP-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CCN(C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922118 572743326 /nfs/dbraw/zinc/74/33/26/572743326.db2.gz AQJOLIOJSOLIRP-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(CC)CC 87921484 572743341 /nfs/dbraw/zinc/74/33/41/572743341.db2.gz XMKCATLVWILZQA-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@H+](CC(C)(C)C)[C@@H]1CC[C@@H]1CN 87922840 572743402 /nfs/dbraw/zinc/74/34/02/572743402.db2.gz JPSYBLDAIFVCTK-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@@H]1CN 87922840 572743406 /nfs/dbraw/zinc/74/34/06/572743406.db2.gz JPSYBLDAIFVCTK-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(CC(C)(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922840 572743407 /nfs/dbraw/zinc/74/34/07/572743407.db2.gz JPSYBLDAIFVCTK-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+](C)CC1CCC1 87922952 572743423 /nfs/dbraw/zinc/74/34/23/572743423.db2.gz ASCPGAFMYWFVIK-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+](C)CC1CCC1 87922952 572743424 /nfs/dbraw/zinc/74/34/24/572743424.db2.gz ASCPGAFMYWFVIK-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N(C)CC1CCC1 87922952 572743427 /nfs/dbraw/zinc/74/34/27/572743427.db2.gz ASCPGAFMYWFVIK-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87921322 572743436 /nfs/dbraw/zinc/74/34/36/572743436.db2.gz DVARIXFYBYZBQT-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87921322 572743440 /nfs/dbraw/zinc/74/34/40/572743440.db2.gz DVARIXFYBYZBQT-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CC[C@@H]1CNC 87922040 572743463 /nfs/dbraw/zinc/74/34/63/572743463.db2.gz NQMNTNPIJNSLRV-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CC[C@@H]1CNC 87922040 572743467 /nfs/dbraw/zinc/74/34/67/572743467.db2.gz NQMNTNPIJNSLRV-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)CC1CC1 87922467 572743471 /nfs/dbraw/zinc/74/34/71/572743471.db2.gz APDYKLSSIIJYAF-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)CC1CC1 87922467 572743472 /nfs/dbraw/zinc/74/34/72/572743472.db2.gz APDYKLSSIIJYAF-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922467 572743473 /nfs/dbraw/zinc/74/34/73/572743473.db2.gz APDYKLSSIIJYAF-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N1CCC[C@@H]1C 87921344 572743502 /nfs/dbraw/zinc/74/35/02/572743502.db2.gz JYDFFPCOOODIAD-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@H]1CC[C@H]1[N@@H+]1CCC[C@@H]1C 87921344 572743508 /nfs/dbraw/zinc/74/35/08/572743508.db2.gz JYDFFPCOOODIAD-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 87921344 572743510 /nfs/dbraw/zinc/74/35/10/572743510.db2.gz JYDFFPCOOODIAD-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](CC(C)C)[C@H]1CC[C@@H]1CN 87922073 572743547 /nfs/dbraw/zinc/74/35/47/572743547.db2.gz GMFSPYDYGNQWBJ-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)C1CC1 87921979 572743567 /nfs/dbraw/zinc/74/35/67/572743567.db2.gz WTLVTLPEQQZZNI-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)N(C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921674 572743589 /nfs/dbraw/zinc/74/35/89/572743589.db2.gz OQJVMZDZCHWSFP-PWSUYJOCSA-N 1 3 196.338 1.857 10 0 ADAEHO C[N@H+](CC1CCCC1)[C@H]1CC[C@@H]1CN 87923141 572743608 /nfs/dbraw/zinc/74/36/08/572743608.db2.gz ZPTZUWUZDAMJQF-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CC1CCCC1)[C@H]1CC[C@@H]1CN 87923141 572743613 /nfs/dbraw/zinc/74/36/13/572743613.db2.gz ZPTZUWUZDAMJQF-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)C(C)C 87921684 572743627 /nfs/dbraw/zinc/74/36/27/572743627.db2.gz KRBMHWOXZASTNA-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)C(C)C 87921684 572743632 /nfs/dbraw/zinc/74/36/32/572743632.db2.gz KRBMHWOXZASTNA-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921684 572743634 /nfs/dbraw/zinc/74/36/34/572743634.db2.gz KRBMHWOXZASTNA-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CC[C@@H]1CNC 87922041 572743647 /nfs/dbraw/zinc/74/36/47/572743647.db2.gz NQMNTNPIJNSLRV-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CC[C@@H]1CNC 87922041 572743651 /nfs/dbraw/zinc/74/36/51/572743651.db2.gz NQMNTNPIJNSLRV-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCCC[N@H+](C)[C@H]1CC[C@@H]1CN 87922191 572743664 /nfs/dbraw/zinc/74/36/64/572743664.db2.gz LHVAHFRNGXFUMY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@@H+](C)[C@H]1CC[C@@H]1CN 87922191 572743668 /nfs/dbraw/zinc/74/36/68/572743668.db2.gz LHVAHFRNGXFUMY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCCN(C)[C@H]1CC[C@@H]1C[NH3+] 87922191 572743671 /nfs/dbraw/zinc/74/36/71/572743671.db2.gz LHVAHFRNGXFUMY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CC[C@@H]1CN 87922016 572743680 /nfs/dbraw/zinc/74/36/80/572743680.db2.gz OCWSHLIOIOSYOK-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1CN 87922016 572743683 /nfs/dbraw/zinc/74/36/83/572743683.db2.gz OCWSHLIOIOSYOK-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CCN(C1CC1)[C@H]1CC[C@@H]1C[NH2+]C 87922117 572743695 /nfs/dbraw/zinc/74/36/95/572743695.db2.gz SHCNLEBFMYJGTL-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)C1CC1 87921980 572743713 /nfs/dbraw/zinc/74/37/13/572743713.db2.gz WTLVTLPEQQZZNI-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 87921288 572743727 /nfs/dbraw/zinc/74/37/27/572743727.db2.gz VYVBSONRNNLXJK-IRCOFANPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 87921288 572743732 /nfs/dbraw/zinc/74/37/32/572743732.db2.gz VYVBSONRNNLXJK-IRCOFANPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)C(C)C 87921683 572743745 /nfs/dbraw/zinc/74/37/45/572743745.db2.gz KRBMHWOXZASTNA-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)C(C)C 87921683 572743748 /nfs/dbraw/zinc/74/37/48/572743748.db2.gz KRBMHWOXZASTNA-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)C(C)C 87921683 572743752 /nfs/dbraw/zinc/74/37/52/572743752.db2.gz KRBMHWOXZASTNA-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@@H]1CC[C@@H]1CN 87922178 572743764 /nfs/dbraw/zinc/74/37/64/572743764.db2.gz AWSOSUHTNKWDLN-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922178 572743767 /nfs/dbraw/zinc/74/37/67/572743767.db2.gz AWSOSUHTNKWDLN-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N(C)C 87921786 572743775 /nfs/dbraw/zinc/74/37/75/572743775.db2.gz MXWREFRXUAPJNO-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922333 572743785 /nfs/dbraw/zinc/74/37/85/572743785.db2.gz VARHNKDXPNPMLK-FBIMIBRVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922333 572743790 /nfs/dbraw/zinc/74/37/90/572743790.db2.gz VARHNKDXPNPMLK-FBIMIBRVSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N(C)C1CC1 87921966 572743801 /nfs/dbraw/zinc/74/38/01/572743801.db2.gz PVGCUKWITZREBT-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)CC 87922000 572747300 /nfs/dbraw/zinc/74/73/00/572747300.db2.gz WAXGKUQERSAFFM-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CC[C@@H]1CN 87922042 572743813 /nfs/dbraw/zinc/74/38/13/572743813.db2.gz XAYVFJRLYZTLQG-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87922042 572743817 /nfs/dbraw/zinc/74/38/17/572743817.db2.gz XAYVFJRLYZTLQG-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C1CCN([C@@H]2CC[C@@H]2C[NH2+]C2CC2)C1 87921395 572743826 /nfs/dbraw/zinc/74/38/26/572743826.db2.gz UZXQMVHQPJJKST-ZYHUDNBSSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[NH+]([C@@H]2CC[C@@H]2CNC2CC2)C1 87921395 572743830 /nfs/dbraw/zinc/74/38/30/572743830.db2.gz UZXQMVHQPJJKST-ZYHUDNBSSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H](CN1CCCC1)N1CCCC1=[NH2+] 49184041 572743843 /nfs/dbraw/zinc/74/38/43/572743843.db2.gz OTAWHASSPAWACG-JTQLQIEISA-N 1 3 195.310 1.544 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H]1CN 87923213 572743846 /nfs/dbraw/zinc/74/38/46/572743846.db2.gz AIDBOTMUIWDTEI-LNFKQOIKSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87923213 572743851 /nfs/dbraw/zinc/74/38/51/572743851.db2.gz AIDBOTMUIWDTEI-LNFKQOIKSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)[C@@H]1CC[C@@H]1C[NH3+] 87923213 572743855 /nfs/dbraw/zinc/74/38/55/572743855.db2.gz AIDBOTMUIWDTEI-LNFKQOIKSA-N 1 3 182.311 1.312 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N(C)CC1CC1 87922468 572743863 /nfs/dbraw/zinc/74/38/63/572743863.db2.gz APDYKLSSIIJYAF-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+](C)CC1CC1 87922468 572743865 /nfs/dbraw/zinc/74/38/65/572743865.db2.gz APDYKLSSIIJYAF-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922468 572743867 /nfs/dbraw/zinc/74/38/67/572743867.db2.gz APDYKLSSIIJYAF-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@@H+](C(C)(C)C2CC2)CC[C@@H]1N 235329521 572743896 /nfs/dbraw/zinc/74/38/96/572743896.db2.gz QQQPBAAADSFSRN-KOLCDFICSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[N@H+](C(C)(C)C2CC2)CC[C@@H]1N 235329521 572743899 /nfs/dbraw/zinc/74/38/99/572743899.db2.gz QQQPBAAADSFSRN-KOLCDFICSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CNC 87921909 572743922 /nfs/dbraw/zinc/74/39/22/572743922.db2.gz ZXAGDSAPDZXCGQ-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87921909 572743924 /nfs/dbraw/zinc/74/39/24/572743924.db2.gz ZXAGDSAPDZXCGQ-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CC[C@@H]1N1CCCC1 87921424 572743936 /nfs/dbraw/zinc/74/39/36/572743936.db2.gz YGZGXNCVOJWFQV-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CC[C@@H]1CN 87922140 572743956 /nfs/dbraw/zinc/74/39/56/572743956.db2.gz OPTLOOXVGKFCBY-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922140 572743958 /nfs/dbraw/zinc/74/39/58/572743958.db2.gz OPTLOOXVGKFCBY-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CC[C@@H]1CNC 87922015 572743996 /nfs/dbraw/zinc/74/39/96/572743996.db2.gz MIRXVCWVJAXXPJ-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922332 572744012 /nfs/dbraw/zinc/74/40/12/572744012.db2.gz VARHNKDXPNPMLK-JMJZKYOTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922332 572744015 /nfs/dbraw/zinc/74/40/15/572744015.db2.gz VARHNKDXPNPMLK-JMJZKYOTSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N1CCCC1 87921405 572744024 /nfs/dbraw/zinc/74/40/24/572744024.db2.gz WFZZNMYWDMQCAJ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@H]1CNC1CC1 87921462 572744033 /nfs/dbraw/zinc/74/40/33/572744033.db2.gz ONUQHIPNJGLQTK-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(CC)[C@H]1CC[C@H]1C[NH2+]C1CC1 87921462 572744038 /nfs/dbraw/zinc/74/40/38/572744038.db2.gz ONUQHIPNJGLQTK-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CC[C@@H]1N(C)C1CC1 87921983 572744066 /nfs/dbraw/zinc/74/40/66/572744066.db2.gz QYXHUZJHRXQHAS-PWSUYJOCSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N1CC[C@H](C)C1 87922508 572744081 /nfs/dbraw/zinc/74/40/81/572744081.db2.gz DDBJGNSIMFIBBW-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H](C)C1 87922508 572744083 /nfs/dbraw/zinc/74/40/83/572744083.db2.gz DDBJGNSIMFIBBW-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](C)C1 87922508 572744087 /nfs/dbraw/zinc/74/40/87/572744087.db2.gz DDBJGNSIMFIBBW-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(CC)[C@H]1CC[C@H]1C[NH2+]C 87921474 572744094 /nfs/dbraw/zinc/74/40/94/572744094.db2.gz AWNAZDAGQUYDGU-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@H]1CNC 87921474 572744098 /nfs/dbraw/zinc/74/40/98/572744098.db2.gz AWNAZDAGQUYDGU-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N1CCCC1 87921421 572744112 /nfs/dbraw/zinc/74/41/12/572744112.db2.gz QCAHRRWLWJPPIP-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1[C@H]1CCC[C@H]1C 70832062 572744137 /nfs/dbraw/zinc/74/41/37/572744137.db2.gz YAKKUQDOBPFKCZ-RHYQMDGZSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)CC1CC1 87922478 572744138 /nfs/dbraw/zinc/74/41/38/572744138.db2.gz BYKXNQADGXJWDW-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1[C@H]1CCC[C@H]1C 70832062 572744142 /nfs/dbraw/zinc/74/41/42/572744142.db2.gz YAKKUQDOBPFKCZ-RHYQMDGZSA-N 1 3 196.338 1.987 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@H+](C)CC1CC1 87922478 572744143 /nfs/dbraw/zinc/74/41/43/572744143.db2.gz BYKXNQADGXJWDW-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922478 572744145 /nfs/dbraw/zinc/74/41/45/572744145.db2.gz BYKXNQADGXJWDW-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@@H]1CC[C@@H]1CNC 87922176 572744160 /nfs/dbraw/zinc/74/41/60/572744160.db2.gz HWNQKFJVIVHMTP-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87922176 572744165 /nfs/dbraw/zinc/74/41/65/572744165.db2.gz HWNQKFJVIVHMTP-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CC[C@@H]1CNC 87921639 572744268 /nfs/dbraw/zinc/74/42/68/572744268.db2.gz PTNUQDJNBXZMPN-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[C@@H]1CN 87923215 572744209 /nfs/dbraw/zinc/74/42/09/572744209.db2.gz AIDBOTMUIWDTEI-ZRUFSTJUSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1CN 87923215 572744211 /nfs/dbraw/zinc/74/42/11/572744211.db2.gz AIDBOTMUIWDTEI-ZRUFSTJUSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1C[C@H]1CN(C)[C@@H]1CC[C@@H]1C[NH3+] 87923215 572744214 /nfs/dbraw/zinc/74/42/14/572744214.db2.gz AIDBOTMUIWDTEI-ZRUFSTJUSA-N 1 3 182.311 1.312 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@H+](C)CC(C)C 87922146 572744232 /nfs/dbraw/zinc/74/42/32/572744232.db2.gz PXVQDNFKEYHPCV-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@@H+](C)CC(C)C 87922146 572744236 /nfs/dbraw/zinc/74/42/36/572744236.db2.gz PXVQDNFKEYHPCV-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)CC(C)C 87922146 572744240 /nfs/dbraw/zinc/74/42/40/572744240.db2.gz PXVQDNFKEYHPCV-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCCN(C)[C@@H]1CC[C@@H]1C[NH2+]C 87921639 572744263 /nfs/dbraw/zinc/74/42/63/572744263.db2.gz PTNUQDJNBXZMPN-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87921639 572744274 /nfs/dbraw/zinc/74/42/74/572744274.db2.gz PTNUQDJNBXZMPN-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H]1CC[C@@H]1CN 87922793 572744290 /nfs/dbraw/zinc/74/42/90/572744290.db2.gz YRENCJDSMVAKPE-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H]1CC[C@@H]1CN 87922793 572744295 /nfs/dbraw/zinc/74/42/95/572744295.db2.gz YRENCJDSMVAKPE-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CCN(C)[C@H]1CC[C@@H]1C[NH3+] 87922793 572744299 /nfs/dbraw/zinc/74/42/99/572744299.db2.gz YRENCJDSMVAKPE-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87922505 572744321 /nfs/dbraw/zinc/74/43/21/572744321.db2.gz OGXSWHXEYMIUCA-IVZWLZJFSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87922505 572744325 /nfs/dbraw/zinc/74/43/25/572744325.db2.gz OGXSWHXEYMIUCA-IVZWLZJFSA-N 1 3 168.284 1.066 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)C[C@@H]1C[C@@H]1C 87923211 572744354 /nfs/dbraw/zinc/74/43/54/572744354.db2.gz XZBFEMJWBXTULW-WHOHXGKFSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@H]1CNC 87921473 572744991 /nfs/dbraw/zinc/74/49/91/572744991.db2.gz AWNAZDAGQUYDGU-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)C[C@@H]1C[C@@H]1C 87923211 572744358 /nfs/dbraw/zinc/74/43/58/572744358.db2.gz XZBFEMJWBXTULW-WHOHXGKFSA-N 1 3 196.338 1.572 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C 87923211 572744362 /nfs/dbraw/zinc/74/43/62/572744362.db2.gz XZBFEMJWBXTULW-WHOHXGKFSA-N 1 3 196.338 1.572 10 0 ADAEHO CCCCC[N@H+](C)[C@@H]1CC[C@@H]1CN 87922190 572744396 /nfs/dbraw/zinc/74/43/96/572744396.db2.gz LHVAHFRNGXFUMY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922190 572744401 /nfs/dbraw/zinc/74/44/01/572744401.db2.gz LHVAHFRNGXFUMY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87922190 572744404 /nfs/dbraw/zinc/74/44/04/572744404.db2.gz LHVAHFRNGXFUMY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922632 572744419 /nfs/dbraw/zinc/74/44/19/572744419.db2.gz RFYYSTVDPWAQNO-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922632 572744423 /nfs/dbraw/zinc/74/44/23/572744423.db2.gz RFYYSTVDPWAQNO-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCCN(C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922632 572744427 /nfs/dbraw/zinc/74/44/27/572744427.db2.gz RFYYSTVDPWAQNO-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N1CCCC1 87921419 572744458 /nfs/dbraw/zinc/74/44/58/572744458.db2.gz QCAHRRWLWJPPIP-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+](C1CCCC1)[C@H]1CC[C@@H]1CN 87922245 572744504 /nfs/dbraw/zinc/74/45/04/572744504.db2.gz QTWISGNCXMVVKN-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](C1CCCC1)[C@H]1CC[C@@H]1CN 87922245 572744510 /nfs/dbraw/zinc/74/45/10/572744510.db2.gz QTWISGNCXMVVKN-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87922471 572744553 /nfs/dbraw/zinc/74/45/53/572744553.db2.gz HGZXQSHYOBEGDX-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87922471 572744558 /nfs/dbraw/zinc/74/45/58/572744558.db2.gz HGZXQSHYOBEGDX-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CN(CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922471 572744564 /nfs/dbraw/zinc/74/45/64/572744564.db2.gz HGZXQSHYOBEGDX-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC[NH+](CCC)[C@@H]1CC[C@H]1CN 87921617 572744638 /nfs/dbraw/zinc/74/46/38/572744638.db2.gz CTXYJBZSWBFRLO-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@H+](CC1CCCC1)[C@@H]1CC[C@@H]1CN 87923140 572744665 /nfs/dbraw/zinc/74/46/65/572744665.db2.gz ZPTZUWUZDAMJQF-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CC1CCCC1)[C@@H]1CC[C@@H]1CN 87923140 572744668 /nfs/dbraw/zinc/74/46/68/572744668.db2.gz ZPTZUWUZDAMJQF-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)CC1CCC1 87922955 572744688 /nfs/dbraw/zinc/74/46/88/572744688.db2.gz ASCPGAFMYWFVIK-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)CC1CCC1 87922955 572744691 /nfs/dbraw/zinc/74/46/91/572744691.db2.gz ASCPGAFMYWFVIK-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)CC1CCC1 87922955 572744693 /nfs/dbraw/zinc/74/46/93/572744693.db2.gz ASCPGAFMYWFVIK-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(C)[C@@H]1CC[C@@H]1C[NH2+]CC(C)C 87921988 572744709 /nfs/dbraw/zinc/74/47/09/572744709.db2.gz SGLDFNYKMCUDQJ-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1CC[C@H]1N(C)C 87921783 572744719 /nfs/dbraw/zinc/74/47/19/572744719.db2.gz INLYQZJSKQTWRR-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N1CCCC1 87921403 572744730 /nfs/dbraw/zinc/74/47/30/572744730.db2.gz WFZZNMYWDMQCAJ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[C@H]1[N@@H+]1CC[C@H](N)[C@H](C)C1 70832023 572744777 /nfs/dbraw/zinc/74/47/77/572744777.db2.gz LCMYDOZRTVITLL-WHOHXGKFSA-N 1 3 196.338 1.844 10 0 ADAEHO CN(C1CC1)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921959 572744779 /nfs/dbraw/zinc/74/47/79/572744779.db2.gz ANPYGJUMOLOAOP-SKDRFNHKSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@H]1CCC[C@H]1[N@H+]1CC[C@H](N)[C@H](C)C1 70832023 572744781 /nfs/dbraw/zinc/74/47/81/572744781.db2.gz LCMYDOZRTVITLL-WHOHXGKFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CC[C@@H]1CNC1CC1 87921959 572744783 /nfs/dbraw/zinc/74/47/83/572744783.db2.gz ANPYGJUMOLOAOP-SKDRFNHKSA-N 1 3 194.322 1.611 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CC[C@@H]1CNC1CC1 87921959 572744786 /nfs/dbraw/zinc/74/47/86/572744786.db2.gz ANPYGJUMOLOAOP-SKDRFNHKSA-N 1 3 194.322 1.611 10 0 ADAEHO CCNC[C@H]1CC[C@H]1[N@H+](C)CC(C)C 87922147 572744809 /nfs/dbraw/zinc/74/48/09/572744809.db2.gz PXVQDNFKEYHPCV-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H]1CC[C@H]1[N@@H+](C)CC(C)C 87922147 572744812 /nfs/dbraw/zinc/74/48/12/572744812.db2.gz PXVQDNFKEYHPCV-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)CC(C)C 87922147 572744815 /nfs/dbraw/zinc/74/48/15/572744815.db2.gz PXVQDNFKEYHPCV-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@H]1N(C)C 87921787 572745414 /nfs/dbraw/zinc/74/54/14/572745414.db2.gz MXWREFRXUAPJNO-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@H+](C(C)C)[C@@H]1CC[C@@H]1CN 87922088 572747323 /nfs/dbraw/zinc/74/73/23/572747323.db2.gz VMXFUPKNUURMPI-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CC[C@@H]1CN 87922043 572744827 /nfs/dbraw/zinc/74/48/27/572744827.db2.gz XAYVFJRLYZTLQG-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CC[C@@H]1CN 87922043 572744831 /nfs/dbraw/zinc/74/48/31/572744831.db2.gz XAYVFJRLYZTLQG-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CCC[C@@H]2C)CC1 70831962 572744877 /nfs/dbraw/zinc/74/48/77/572744877.db2.gz JLOPIACXCFITPC-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CCC[C@@H]2C)CC1 70831962 572744880 /nfs/dbraw/zinc/74/48/80/572744880.db2.gz JLOPIACXCFITPC-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)C1CCCC1 87921945 572744883 /nfs/dbraw/zinc/74/48/83/572744883.db2.gz SJYAUZLJWOFFJJ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)C1CCCC1 87921945 572744886 /nfs/dbraw/zinc/74/48/86/572744886.db2.gz SJYAUZLJWOFFJJ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@H]1CC[C@H]1C[NH2+]C1CC1 87921780 572744896 /nfs/dbraw/zinc/74/48/96/572744896.db2.gz HMVZOGQJXOQTPQ-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[NH+](C)[C@H]1CC[C@H]1CNC1CC1 87921780 572744898 /nfs/dbraw/zinc/74/48/98/572744898.db2.gz HMVZOGQJXOQTPQ-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N1CCCCC1 87921747 572744914 /nfs/dbraw/zinc/74/49/14/572744914.db2.gz BTXMNWBBWPISFI-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87922351 572744924 /nfs/dbraw/zinc/74/49/24/572744924.db2.gz JSHNIAXITYIBEG-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87922351 572744926 /nfs/dbraw/zinc/74/49/26/572744926.db2.gz JSHNIAXITYIBEG-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CN1CCCC1)N1CCCC1=[NH2+] 49184042 572744949 /nfs/dbraw/zinc/74/49/49/572744949.db2.gz OTAWHASSPAWACG-SNVBAGLBSA-N 1 3 195.310 1.544 10 0 ADAEHO CCC(CC)[N@H+](C)[C@H]1CC[C@@H]1CN 87922297 572744952 /nfs/dbraw/zinc/74/49/52/572744952.db2.gz OCERJEWFADMILT-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@@H+](C)[C@H]1CC[C@@H]1CN 87922297 572744954 /nfs/dbraw/zinc/74/49/54/572744954.db2.gz OCERJEWFADMILT-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CC[C@@H]1CN 87922017 572744963 /nfs/dbraw/zinc/74/49/63/572744963.db2.gz OCWSHLIOIOSYOK-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1CN 87922088 572747326 /nfs/dbraw/zinc/74/73/26/572747326.db2.gz VMXFUPKNUURMPI-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CC[C@@H]1CN 87922017 572744966 /nfs/dbraw/zinc/74/49/66/572744966.db2.gz OCWSHLIOIOSYOK-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87921500 572744974 /nfs/dbraw/zinc/74/49/74/572744974.db2.gz KGUAKBUUUXXYIF-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1CN 87921500 572744975 /nfs/dbraw/zinc/74/49/75/572744975.db2.gz KGUAKBUUUXXYIF-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@H]1C[NH2+]C 87921473 572744988 /nfs/dbraw/zinc/74/49/88/572744988.db2.gz AWNAZDAGQUYDGU-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87921550 572745040 /nfs/dbraw/zinc/74/50/40/572745040.db2.gz AKMNIGANJSWNIB-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87921550 572745045 /nfs/dbraw/zinc/74/50/45/572745045.db2.gz AKMNIGANJSWNIB-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)CC1CC1 87922469 572745066 /nfs/dbraw/zinc/74/50/66/572745066.db2.gz APDYKLSSIIJYAF-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)CC1CC1 87922469 572745068 /nfs/dbraw/zinc/74/50/68/572745068.db2.gz APDYKLSSIIJYAF-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922469 572745071 /nfs/dbraw/zinc/74/50/71/572745071.db2.gz APDYKLSSIIJYAF-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@@H]1CNC 87921926 572746104 /nfs/dbraw/zinc/74/61/04/572746104.db2.gz HWRUUZRCXUADTN-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1CC[C@@H](C)C1 87922502 572745100 /nfs/dbraw/zinc/74/51/00/572745100.db2.gz OETNBEQQAVFWJE-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1CC[C@@H](C)C1 87922502 572745106 /nfs/dbraw/zinc/74/51/06/572745106.db2.gz OETNBEQQAVFWJE-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C[N@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922659 572745145 /nfs/dbraw/zinc/74/51/45/572745145.db2.gz FGZJMMDEXUCVMJ-PWSUYJOCSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C[N@@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922659 572745148 /nfs/dbraw/zinc/74/51/48/572745148.db2.gz FGZJMMDEXUCVMJ-PWSUYJOCSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922119 572745220 /nfs/dbraw/zinc/74/52/20/572745220.db2.gz AQJOLIOJSOLIRP-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922119 572745224 /nfs/dbraw/zinc/74/52/24/572745224.db2.gz AQJOLIOJSOLIRP-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CCN(C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922119 572745228 /nfs/dbraw/zinc/74/52/28/572745228.db2.gz AQJOLIOJSOLIRP-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922059 572745243 /nfs/dbraw/zinc/74/52/43/572745243.db2.gz LHPUPGGXWFZLCE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922059 572745249 /nfs/dbraw/zinc/74/52/49/572745249.db2.gz LHPUPGGXWFZLCE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCN(C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922059 572745254 /nfs/dbraw/zinc/74/52/54/572745254.db2.gz LHPUPGGXWFZLCE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C1CCN([C@H]2CC[C@H]2C[NH2+]C2CC2)C1 87921398 572745267 /nfs/dbraw/zinc/74/52/67/572745267.db2.gz UZXQMVHQPJJKST-JQWIXIFHSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[NH+]([C@H]2CC[C@H]2CNC2CC2)C1 87921398 572745272 /nfs/dbraw/zinc/74/52/72/572745272.db2.gz UZXQMVHQPJJKST-JQWIXIFHSA-N 1 3 194.322 1.613 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@@H]1C[NH2+]CC 87921933 572745294 /nfs/dbraw/zinc/74/52/94/572745294.db2.gz WMNFQIGZHCPPBB-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[NH+](CCC)[C@H]1CC[C@@H]1CN 87921616 572745335 /nfs/dbraw/zinc/74/53/35/572745335.db2.gz CTXYJBZSWBFRLO-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@H+](C)CC(C)C 87922144 572745359 /nfs/dbraw/zinc/74/53/59/572745359.db2.gz PXVQDNFKEYHPCV-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@@H+](C)CC(C)C 87922144 572745362 /nfs/dbraw/zinc/74/53/62/572745362.db2.gz PXVQDNFKEYHPCV-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)CC(C)C 87922144 572745367 /nfs/dbraw/zinc/74/53/67/572745367.db2.gz PXVQDNFKEYHPCV-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(CC)CC 87921485 572745380 /nfs/dbraw/zinc/74/53/80/572745380.db2.gz XMKCATLVWILZQA-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)CC(C)C 87922139 572745449 /nfs/dbraw/zinc/74/54/49/572745449.db2.gz NDDQQKQHICPFIA-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)CC(C)C 87922139 572745452 /nfs/dbraw/zinc/74/54/52/572745452.db2.gz NDDQQKQHICPFIA-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@H]1N(C)C1CC1 87921967 572745515 /nfs/dbraw/zinc/74/55/15/572745515.db2.gz PVGCUKWITZREBT-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N1CCC[C@@H]1C 87921342 572745555 /nfs/dbraw/zinc/74/55/55/572745555.db2.gz JYDFFPCOOODIAD-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]1C 87921342 572745559 /nfs/dbraw/zinc/74/55/59/572745559.db2.gz JYDFFPCOOODIAD-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@H]1CC[C@@H]1[N@H+]1CCC[C@@H]1C 87921342 572745563 /nfs/dbraw/zinc/74/55/63/572745563.db2.gz JYDFFPCOOODIAD-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N1CCCC1 87921422 572745580 /nfs/dbraw/zinc/74/55/80/572745580.db2.gz QCAHRRWLWJPPIP-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)CCC(C)C 87922790 572745704 /nfs/dbraw/zinc/74/57/04/572745704.db2.gz AGIMSDUJCYBYKP-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)CCC(C)C 87922790 572745707 /nfs/dbraw/zinc/74/57/07/572745707.db2.gz AGIMSDUJCYBYKP-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)CCC(C)C 87922790 572745711 /nfs/dbraw/zinc/74/57/11/572745711.db2.gz AGIMSDUJCYBYKP-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@@H]1C[NH2+]C 87921471 572745748 /nfs/dbraw/zinc/74/57/48/572745748.db2.gz AWNAZDAGQUYDGU-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@@H]1CNC 87921471 572745753 /nfs/dbraw/zinc/74/57/53/572745753.db2.gz AWNAZDAGQUYDGU-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)C(C)C 87921692 572745794 /nfs/dbraw/zinc/74/57/94/572745794.db2.gz BFUGARMZPZZERL-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)C1CC1 87921978 572745821 /nfs/dbraw/zinc/74/58/21/572745821.db2.gz WTLVTLPEQQZZNI-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1CC[C@@H]1N(C)C 87921781 572745826 /nfs/dbraw/zinc/74/58/26/572745826.db2.gz INLYQZJSKQTWRR-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CN(C)[C@@H]1CC[C@H]1C[NH2+]C1CC1 87921779 572745854 /nfs/dbraw/zinc/74/58/54/572745854.db2.gz HMVZOGQJXOQTPQ-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[NH+](C)[C@@H]1CC[C@H]1CNC1CC1 87921779 572745858 /nfs/dbraw/zinc/74/58/58/572745858.db2.gz HMVZOGQJXOQTPQ-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(CC)CC 87921483 572745907 /nfs/dbraw/zinc/74/59/07/572745907.db2.gz XMKCATLVWILZQA-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1CN 87922103 572745917 /nfs/dbraw/zinc/74/59/17/572745917.db2.gz YDWPGWLXGDMDII-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87922103 572745918 /nfs/dbraw/zinc/74/59/18/572745918.db2.gz YDWPGWLXGDMDII-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[NH+](CCC)[C@@H]1CC[C@@H]1CN 87921615 572745921 /nfs/dbraw/zinc/74/59/21/572745921.db2.gz CTXYJBZSWBFRLO-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921987 572745953 /nfs/dbraw/zinc/74/59/53/572745953.db2.gz KGCBOBUWIIQGOQ-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@H+](C)[C@H]1CC[C@@H]1CNC1CC1 87921987 572745956 /nfs/dbraw/zinc/74/59/56/572745956.db2.gz KGCBOBUWIIQGOQ-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+](C)[C@H]1CC[C@@H]1CNC1CC1 87921987 572745957 /nfs/dbraw/zinc/74/59/57/572745957.db2.gz KGCBOBUWIIQGOQ-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87923232 572745968 /nfs/dbraw/zinc/74/59/68/572745968.db2.gz LENKLMAROBOGEG-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87923232 572745972 /nfs/dbraw/zinc/74/59/72/572745972.db2.gz LENKLMAROBOGEG-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2C)CC[C@@H]1N 70832020 572745975 /nfs/dbraw/zinc/74/59/75/572745975.db2.gz LCMYDOZRTVITLL-WISYIIOYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2C)CC[C@@H]1N 70832020 572745976 /nfs/dbraw/zinc/74/59/76/572745976.db2.gz LCMYDOZRTVITLL-WISYIIOYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[N@H+](CC1CCC1)[C@H]1CC[C@@H]1CN 87922957 572745982 /nfs/dbraw/zinc/74/59/82/572745982.db2.gz NBNMQYWIXIZHAV-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@H]1CC[C@@H]1CN 87922957 572745984 /nfs/dbraw/zinc/74/59/84/572745984.db2.gz NBNMQYWIXIZHAV-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87921911 572746017 /nfs/dbraw/zinc/74/60/17/572746017.db2.gz XYXZLWUJOYLKSQ-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87921911 572746019 /nfs/dbraw/zinc/74/60/19/572746019.db2.gz XYXZLWUJOYLKSQ-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N(C)CC 87921990 572747046 /nfs/dbraw/zinc/74/70/46/572747046.db2.gz PIZUSNWEDPGYQO-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87922029 572746057 /nfs/dbraw/zinc/74/60/57/572746057.db2.gz YCXKSALNNBRQGW-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1CN 87922029 572746060 /nfs/dbraw/zinc/74/60/60/572746060.db2.gz YCXKSALNNBRQGW-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@@H]1C[NH2+]C 87921926 572746100 /nfs/dbraw/zinc/74/61/00/572746100.db2.gz HWRUUZRCXUADTN-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87921926 572746108 /nfs/dbraw/zinc/74/61/08/572746108.db2.gz HWRUUZRCXUADTN-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N(C)CC1CC1 87922466 572746120 /nfs/dbraw/zinc/74/61/20/572746120.db2.gz APDYKLSSIIJYAF-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+](C)CC1CC1 87922466 572746125 /nfs/dbraw/zinc/74/61/25/572746125.db2.gz APDYKLSSIIJYAF-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922466 572746129 /nfs/dbraw/zinc/74/61/29/572746129.db2.gz APDYKLSSIIJYAF-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N(C)C1CC1 87921964 572746156 /nfs/dbraw/zinc/74/61/56/572746156.db2.gz PVGCUKWITZREBT-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1CNC 87922014 572746210 /nfs/dbraw/zinc/74/62/10/572746210.db2.gz MIRXVCWVJAXXPJ-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CCC[C@H]2C)CC1 70831961 572746243 /nfs/dbraw/zinc/74/62/43/572746243.db2.gz JLOPIACXCFITPC-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CCC[C@H]2C)CC1 70831961 572746249 /nfs/dbraw/zinc/74/62/49/572746249.db2.gz JLOPIACXCFITPC-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC(CC)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922296 572747363 /nfs/dbraw/zinc/74/73/63/572747363.db2.gz OCERJEWFADMILT-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922296 572747366 /nfs/dbraw/zinc/74/73/66/572747366.db2.gz OCERJEWFADMILT-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[NH2+]C[C@H]1CC[C@H]1N(C)C 87921784 572746317 /nfs/dbraw/zinc/74/63/17/572746317.db2.gz INLYQZJSKQTWRR-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87922004 572746332 /nfs/dbraw/zinc/74/63/32/572746332.db2.gz XLCLATLKRCGCTK-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)C(C)C 87921690 572746372 /nfs/dbraw/zinc/74/63/72/572746372.db2.gz BFUGARMZPZZERL-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CNC1CC[NH+]([C@H]2CCC[C@@H]2C)CC1 70831957 572746376 /nfs/dbraw/zinc/74/63/76/572746376.db2.gz JLOPIACXCFITPC-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CCC[C@@H]2C)CC1 70831957 572746379 /nfs/dbraw/zinc/74/63/79/572746379.db2.gz JLOPIACXCFITPC-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)[C@H]1CC[C@@H]1C[NH2+]CC(C)C 87921989 572746385 /nfs/dbraw/zinc/74/63/85/572746385.db2.gz SGLDFNYKMCUDQJ-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H]1N1CCCC1 87921423 572746394 /nfs/dbraw/zinc/74/63/94/572746394.db2.gz YGZGXNCVOJWFQV-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922311 572746407 /nfs/dbraw/zinc/74/64/07/572746407.db2.gz NFJBCUCAVNNXKH-HBNTYKKESA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922311 572746409 /nfs/dbraw/zinc/74/64/09/572746409.db2.gz NFJBCUCAVNNXKH-HBNTYKKESA-N 1 3 184.327 1.700 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@H]1CNC1CC1 87921461 572746428 /nfs/dbraw/zinc/74/64/28/572746428.db2.gz ONUQHIPNJGLQTK-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@H]1C[NH2+]C1CC1 87921461 572746433 /nfs/dbraw/zinc/74/64/33/572746433.db2.gz ONUQHIPNJGLQTK-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN(C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921919 572747137 /nfs/dbraw/zinc/74/71/37/572747137.db2.gz XEGMLTJLDCMKMM-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CC[C@@H]1CN 87921642 572746452 /nfs/dbraw/zinc/74/64/52/572746452.db2.gz ZYYGIZYFAYJDLO-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CC[C@@H]1CN 87921642 572746455 /nfs/dbraw/zinc/74/64/55/572746455.db2.gz ZYYGIZYFAYJDLO-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCCN(C)[C@H]1CC[C@@H]1C[NH3+] 87921642 572746457 /nfs/dbraw/zinc/74/64/57/572746457.db2.gz ZYYGIZYFAYJDLO-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N1CCCC1 87921404 572746499 /nfs/dbraw/zinc/74/64/99/572746499.db2.gz WFZZNMYWDMQCAJ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)CC 87922001 572746510 /nfs/dbraw/zinc/74/65/10/572746510.db2.gz WAXGKUQERSAFFM-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)CC 87922002 572746555 /nfs/dbraw/zinc/74/65/55/572746555.db2.gz WAXGKUQERSAFFM-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO C[N@H+](CC(C)(C)C)[C@H]1CC[C@@H]1CN 87922841 572746567 /nfs/dbraw/zinc/74/65/67/572746567.db2.gz JPSYBLDAIFVCTK-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@@H]1CN 87922841 572746571 /nfs/dbraw/zinc/74/65/71/572746571.db2.gz JPSYBLDAIFVCTK-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(CC(C)(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922841 572746576 /nfs/dbraw/zinc/74/65/76/572746576.db2.gz JPSYBLDAIFVCTK-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N1CCC[C@@H]1C 87921343 572746596 /nfs/dbraw/zinc/74/65/96/572746596.db2.gz JYDFFPCOOODIAD-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H]1C 87921343 572746599 /nfs/dbraw/zinc/74/65/99/572746599.db2.gz JYDFFPCOOODIAD-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 87921343 572746603 /nfs/dbraw/zinc/74/66/03/572746603.db2.gz JYDFFPCOOODIAD-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@H+](C(C)C)[C@H]1CC[C@@H]1CN 87922089 572746613 /nfs/dbraw/zinc/74/66/13/572746613.db2.gz VMXFUPKNUURMPI-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@@H+](C(C)C)[C@H]1CC[C@@H]1CN 87922089 572746616 /nfs/dbraw/zinc/74/66/16/572746616.db2.gz VMXFUPKNUURMPI-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)CC1 87923131 572746644 /nfs/dbraw/zinc/74/66/44/572746644.db2.gz QKCSRMRAFZUSNY-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)CC1 87923131 572746648 /nfs/dbraw/zinc/74/66/48/572746648.db2.gz QKCSRMRAFZUSNY-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO CCN1CCC[C@H](N2CCCC2=[NH2+])C1 49217064 572746650 /nfs/dbraw/zinc/74/66/50/572746650.db2.gz HEBCFJRTKNDDAL-JTQLQIEISA-N 1 3 195.310 1.544 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)CC1CC1 87922477 572746663 /nfs/dbraw/zinc/74/66/63/572746663.db2.gz BYKXNQADGXJWDW-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@H]1CC[C@@H]1[N@H+](C)CC1CC1 87922477 572746668 /nfs/dbraw/zinc/74/66/68/572746668.db2.gz BYKXNQADGXJWDW-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922477 572746672 /nfs/dbraw/zinc/74/66/72/572746672.db2.gz BYKXNQADGXJWDW-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(CC)C1CC1 87922123 572747376 /nfs/dbraw/zinc/74/73/76/572747376.db2.gz QFUCNMQEDXLOJZ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)CCC[NH2+]C/C=C\Cl 307901570 572746685 /nfs/dbraw/zinc/74/66/85/572746685.db2.gz ULLYSNSVBRLEEX-HYXAFXHYSA-N 1 3 176.691 1.280 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N1CCC[C@@H]1C 87921341 572746687 /nfs/dbraw/zinc/74/66/87/572746687.db2.gz JYDFFPCOOODIAD-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]1C 87921341 572746690 /nfs/dbraw/zinc/74/66/90/572746690.db2.gz JYDFFPCOOODIAD-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CCNC[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H]1C 87921341 572746692 /nfs/dbraw/zinc/74/66/92/572746692.db2.gz JYDFFPCOOODIAD-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N1CC[C@H](C)C1 87922510 572746702 /nfs/dbraw/zinc/74/67/02/572746702.db2.gz DDBJGNSIMFIBBW-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@@H+]1CC[C@H](C)C1 87922510 572746704 /nfs/dbraw/zinc/74/67/04/572746704.db2.gz DDBJGNSIMFIBBW-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@@H]1CC[C@H]1[N@H+]1CC[C@H](C)C1 87922510 572746707 /nfs/dbraw/zinc/74/67/07/572746707.db2.gz DDBJGNSIMFIBBW-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921918 572746717 /nfs/dbraw/zinc/74/67/17/572746717.db2.gz XEGMLTJLDCMKMM-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921918 572746719 /nfs/dbraw/zinc/74/67/19/572746719.db2.gz XEGMLTJLDCMKMM-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921918 572746725 /nfs/dbraw/zinc/74/67/25/572746725.db2.gz XEGMLTJLDCMKMM-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC(C)(C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87923248 572746740 /nfs/dbraw/zinc/74/67/40/572746740.db2.gz MKKSCAXRVMDQFV-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87923248 572746750 /nfs/dbraw/zinc/74/67/50/572746750.db2.gz MKKSCAXRVMDQFV-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CNC 87921319 572746771 /nfs/dbraw/zinc/74/67/71/572746771.db2.gz OPICEUJSLWJOPL-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CNC 87921319 572746776 /nfs/dbraw/zinc/74/67/76/572746776.db2.gz OPICEUJSLWJOPL-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+]C[C@H]1CC[C@@H]1N(C)CC 87921991 572746792 /nfs/dbraw/zinc/74/67/92/572746792.db2.gz PIZUSNWEDPGYQO-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CNC 87921320 572746821 /nfs/dbraw/zinc/74/68/21/572746821.db2.gz OPICEUJSLWJOPL-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CNC 87921320 572746826 /nfs/dbraw/zinc/74/68/26/572746826.db2.gz OPICEUJSLWJOPL-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921777 572746871 /nfs/dbraw/zinc/74/68/71/572746871.db2.gz HMVZOGQJXOQTPQ-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[NH+](C)[C@@H]1CC[C@@H]1CNC1CC1 87921777 572746875 /nfs/dbraw/zinc/74/68/75/572746875.db2.gz HMVZOGQJXOQTPQ-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO CN(C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921958 572746910 /nfs/dbraw/zinc/74/69/10/572746910.db2.gz ANPYGJUMOLOAOP-BXKDBHETSA-N 1 3 194.322 1.611 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CC[C@@H]1CNC1CC1 87921958 572746915 /nfs/dbraw/zinc/74/69/15/572746915.db2.gz ANPYGJUMOLOAOP-BXKDBHETSA-N 1 3 194.322 1.611 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CC[C@@H]1CNC1CC1 87921958 572746918 /nfs/dbraw/zinc/74/69/18/572746918.db2.gz ANPYGJUMOLOAOP-BXKDBHETSA-N 1 3 194.322 1.611 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)CC(C)C 87922138 572746958 /nfs/dbraw/zinc/74/69/58/572746958.db2.gz NDDQQKQHICPFIA-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)CC(C)C 87922138 572746964 /nfs/dbraw/zinc/74/69/64/572746964.db2.gz NDDQQKQHICPFIA-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CCCC[N@H+](CC)[C@@H]1CC[C@@H]1CN 87921655 572747385 /nfs/dbraw/zinc/74/73/85/572747385.db2.gz NDKOSTXWTBWVSX-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87922116 572746999 /nfs/dbraw/zinc/74/69/99/572746999.db2.gz SHCNLEBFMYJGTL-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H]1CC[C@@H]1CN 87922792 572747026 /nfs/dbraw/zinc/74/70/26/572747026.db2.gz YRENCJDSMVAKPE-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922792 572747031 /nfs/dbraw/zinc/74/70/31/572747031.db2.gz YRENCJDSMVAKPE-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87922792 572747034 /nfs/dbraw/zinc/74/70/34/572747034.db2.gz YRENCJDSMVAKPE-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)[C@@H](C)C(C)C 87922309 572747085 /nfs/dbraw/zinc/74/70/85/572747085.db2.gz QGZKWGIETCTWIE-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(C)C 87922309 572747092 /nfs/dbraw/zinc/74/70/92/572747092.db2.gz QGZKWGIETCTWIE-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO CCCC[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87921655 572747388 /nfs/dbraw/zinc/74/73/88/572747388.db2.gz NDKOSTXWTBWVSX-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@@H]1CNC1CC1 87921919 572747128 /nfs/dbraw/zinc/74/71/28/572747128.db2.gz XEGMLTJLDCMKMM-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@@H]1CNC1CC1 87921919 572747133 /nfs/dbraw/zinc/74/71/33/572747133.db2.gz XEGMLTJLDCMKMM-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH+](CCC)[C@H]1CC[C@H]1CN 87921618 572747148 /nfs/dbraw/zinc/74/71/48/572747148.db2.gz CTXYJBZSWBFRLO-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CC[C@@H]1CNC 87923230 572747164 /nfs/dbraw/zinc/74/71/64/572747164.db2.gz LHOHTGWZQKQMJT-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1CNC 87923230 572747169 /nfs/dbraw/zinc/74/71/69/572747169.db2.gz LHOHTGWZQKQMJT-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)CC1CC1 87922479 572747233 /nfs/dbraw/zinc/74/72/33/572747233.db2.gz BYKXNQADGXJWDW-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@H]1CC[C@H]1[N@H+](C)CC1CC1 87922479 572747236 /nfs/dbraw/zinc/74/72/36/572747236.db2.gz BYKXNQADGXJWDW-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922479 572747241 /nfs/dbraw/zinc/74/72/41/572747241.db2.gz BYKXNQADGXJWDW-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CC[C@@H]1CNC 87923231 572747253 /nfs/dbraw/zinc/74/72/53/572747253.db2.gz LHOHTGWZQKQMJT-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CC[C@@H]1CNC 87923231 572747257 /nfs/dbraw/zinc/74/72/57/572747257.db2.gz LHOHTGWZQKQMJT-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1CCCC[C@@H]1C 87921498 572747412 /nfs/dbraw/zinc/74/74/12/572747412.db2.gz XHVGMNLZGCUZPH-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N1CCCC[C@@H]1C 87921498 572747415 /nfs/dbraw/zinc/74/74/15/572747415.db2.gz XHVGMNLZGCUZPH-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CC[C@@H]1N(C)C1CC1 87921982 572747458 /nfs/dbraw/zinc/74/74/58/572747458.db2.gz QYXHUZJHRXQHAS-JQWIXIFHSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)CC(C)(C)C 87922839 572747473 /nfs/dbraw/zinc/74/74/73/572747473.db2.gz CIRFUVCCOZXYSN-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+](C)CC(C)(C)C 87922839 572747477 /nfs/dbraw/zinc/74/74/77/572747477.db2.gz CIRFUVCCOZXYSN-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+](C)CC(C)(C)C 87922839 572747482 /nfs/dbraw/zinc/74/74/82/572747482.db2.gz CIRFUVCCOZXYSN-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CC[C@@H]1CNC 87921640 572747873 /nfs/dbraw/zinc/74/78/73/572747873.db2.gz PTNUQDJNBXZMPN-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87922470 572747586 /nfs/dbraw/zinc/74/75/86/572747586.db2.gz HGZXQSHYOBEGDX-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87922470 572747591 /nfs/dbraw/zinc/74/75/91/572747591.db2.gz HGZXQSHYOBEGDX-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CN(CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922470 572747597 /nfs/dbraw/zinc/74/75/97/572747597.db2.gz HGZXQSHYOBEGDX-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922310 572747620 /nfs/dbraw/zinc/74/76/20/572747620.db2.gz NFJBCUCAVNNXKH-GMTAPVOTSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922310 572747624 /nfs/dbraw/zinc/74/76/24/572747624.db2.gz NFJBCUCAVNNXKH-GMTAPVOTSA-N 1 3 184.327 1.700 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87922646 572747648 /nfs/dbraw/zinc/74/76/48/572747648.db2.gz JAPRCMCKFCSSRP-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1CN 87922646 572747653 /nfs/dbraw/zinc/74/76/53/572747653.db2.gz JAPRCMCKFCSSRP-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CC[C@@H]1CN 87921641 572747695 /nfs/dbraw/zinc/74/76/95/572747695.db2.gz ZYYGIZYFAYJDLO-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CC[C@@H]1CN 87921641 572747698 /nfs/dbraw/zinc/74/76/98/572747698.db2.gz ZYYGIZYFAYJDLO-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87921641 572747703 /nfs/dbraw/zinc/74/77/03/572747703.db2.gz ZYYGIZYFAYJDLO-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922633 572747722 /nfs/dbraw/zinc/74/77/22/572747722.db2.gz RFYYSTVDPWAQNO-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1CN 87922633 572747727 /nfs/dbraw/zinc/74/77/27/572747727.db2.gz RFYYSTVDPWAQNO-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCCN(C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922633 572747731 /nfs/dbraw/zinc/74/77/31/572747731.db2.gz RFYYSTVDPWAQNO-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[NH2+]C[C@@H]1CC[C@@H]1N(C)C 87921785 572747741 /nfs/dbraw/zinc/74/77/41/572747741.db2.gz MXWREFRXUAPJNO-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(CC)C1CC1 87922122 572747773 /nfs/dbraw/zinc/74/77/73/572747773.db2.gz QFUCNMQEDXLOJZ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87922380 572747797 /nfs/dbraw/zinc/74/77/97/572747797.db2.gz LPKPJTGKERZOGO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87922380 572747804 /nfs/dbraw/zinc/74/78/04/572747804.db2.gz LPKPJTGKERZOGO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@@H]2CC2(C)C)CC[C@@H]1N 235331414 572747813 /nfs/dbraw/zinc/74/78/13/572747813.db2.gz IPFCUGHTMXCYPD-VWYCJHECSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N1CCCCC1 87921750 572747815 /nfs/dbraw/zinc/74/78/15/572747815.db2.gz BTXMNWBBWPISFI-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@@H]2CC2(C)C)CC[C@@H]1N 235331414 572747817 /nfs/dbraw/zinc/74/78/17/572747817.db2.gz IPFCUGHTMXCYPD-VWYCJHECSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CC2(C)C)CC[C@@H]1[NH3+] 235331414 572747821 /nfs/dbraw/zinc/74/78/21/572747821.db2.gz IPFCUGHTMXCYPD-VWYCJHECSA-N 1 3 196.338 1.702 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+](C)C1CCCC1 87921947 572747833 /nfs/dbraw/zinc/74/78/33/572747833.db2.gz SJYAUZLJWOFFJJ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+](C)C1CCCC1 87921947 572747839 /nfs/dbraw/zinc/74/78/39/572747839.db2.gz SJYAUZLJWOFFJJ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCN(C)[C@H]1CC[C@@H]1C[NH2+]C 87921640 572747870 /nfs/dbraw/zinc/74/78/70/572747870.db2.gz PTNUQDJNBXZMPN-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CC[C@@H]1CNC 87921640 572747878 /nfs/dbraw/zinc/74/78/78/572747878.db2.gz PTNUQDJNBXZMPN-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)C1CC1 87921981 572747922 /nfs/dbraw/zinc/74/79/22/572747922.db2.gz WTLVTLPEQQZZNI-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[N@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922658 572747944 /nfs/dbraw/zinc/74/79/44/572747944.db2.gz FGZJMMDEXUCVMJ-ZYHUDNBSSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C[N@@H+](C1CC1)[C@@H]1CC[C@@H]1CN 87922658 572747946 /nfs/dbraw/zinc/74/79/46/572747946.db2.gz FGZJMMDEXUCVMJ-ZYHUDNBSSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@H](C)C[NH+]([C@@H]2CC[C@@H]2CN)C1 87921717 572747971 /nfs/dbraw/zinc/74/79/71/572747971.db2.gz PVJUKZFSEIOLJJ-NNYUYHANSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@@H]1CNC1CC1 87921460 572747996 /nfs/dbraw/zinc/74/79/96/572747996.db2.gz ONUQHIPNJGLQTK-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(CC)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921460 572748000 /nfs/dbraw/zinc/74/80/00/572748000.db2.gz ONUQHIPNJGLQTK-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87921202 572748017 /nfs/dbraw/zinc/74/80/17/572748017.db2.gz ZHTSBNJFHSERDQ-NEPJUHHUSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@@H]1CN 87921202 572748023 /nfs/dbraw/zinc/74/80/23/572748023.db2.gz ZHTSBNJFHSERDQ-NEPJUHHUSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CC[C@@H]1CNC 87922177 572748048 /nfs/dbraw/zinc/74/80/48/572748048.db2.gz HWNQKFJVIVHMTP-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87922177 572748052 /nfs/dbraw/zinc/74/80/52/572748052.db2.gz HWNQKFJVIVHMTP-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CC[C@H]1N(C)C1CC1 87921984 572748072 /nfs/dbraw/zinc/74/80/72/572748072.db2.gz QYXHUZJHRXQHAS-CMPLNLGQSA-N 1 3 196.338 1.857 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+](C)CC1CCC1 87922954 572748123 /nfs/dbraw/zinc/74/81/23/572748123.db2.gz ASCPGAFMYWFVIK-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+](C)CC1CCC1 87922954 572748125 /nfs/dbraw/zinc/74/81/25/572748125.db2.gz ASCPGAFMYWFVIK-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N(C)CC1CCC1 87922954 572748128 /nfs/dbraw/zinc/74/81/28/572748128.db2.gz ASCPGAFMYWFVIK-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CN(C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921778 572748134 /nfs/dbraw/zinc/74/81/34/572748134.db2.gz HMVZOGQJXOQTPQ-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[NH+](C)[C@H]1CC[C@@H]1CNC1CC1 87921778 572748137 /nfs/dbraw/zinc/74/81/37/572748137.db2.gz HMVZOGQJXOQTPQ-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]1C 235331520 572748160 /nfs/dbraw/zinc/74/81/60/572748160.db2.gz QHRKZMIEPJKCJB-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2)[C@@H]1C 235331520 572748166 /nfs/dbraw/zinc/74/81/66/572748166.db2.gz QHRKZMIEPJKCJB-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1C[NH+]([C@@H]2CC[C@@H]2CN)C[C@@H]1C 87923439 572748702 /nfs/dbraw/zinc/74/87/02/572748702.db2.gz VBNFOCFYTGWJGW-UKKRHICBSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1CCCCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87923299 572748856 /nfs/dbraw/zinc/74/88/56/572748856.db2.gz HHURKZRZMSBECI-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCCCC[N@H+]1[C@@H]1CC[C@@H]1CN 87923299 572748860 /nfs/dbraw/zinc/74/88/60/572748860.db2.gz HHURKZRZMSBECI-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87923389 572749593 /nfs/dbraw/zinc/74/95/93/572749593.db2.gz ZISIQOGUHNKFCT-IJLUTSLNSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87923389 572749597 /nfs/dbraw/zinc/74/95/97/572749597.db2.gz ZISIQOGUHNKFCT-IJLUTSLNSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923381 572749744 /nfs/dbraw/zinc/74/97/44/572749744.db2.gz SEDKJBJIVYNCFK-IRCOFANPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923381 572749746 /nfs/dbraw/zinc/74/97/46/572749746.db2.gz SEDKJBJIVYNCFK-IRCOFANPSA-N 1 3 196.338 1.844 10 0 ADAEHO NC[C@H]1CC[C@@H]1[N@H+](CC1CC1)C1CC1 87923325 572749827 /nfs/dbraw/zinc/74/98/27/572749827.db2.gz UWGQZUOHMUYHGJ-PWSUYJOCSA-N 1 3 194.322 1.598 10 0 ADAEHO NC[C@H]1CC[C@@H]1[N@@H+](CC1CC1)C1CC1 87923325 572749830 /nfs/dbraw/zinc/74/98/30/572749830.db2.gz UWGQZUOHMUYHGJ-PWSUYJOCSA-N 1 3 194.322 1.598 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H]1N(CC1CC1)C1CC1 87923325 572749834 /nfs/dbraw/zinc/74/98/34/572749834.db2.gz UWGQZUOHMUYHGJ-PWSUYJOCSA-N 1 3 194.322 1.598 10 0 ADAEHO C/C=C/CCN1CCC[C@@H]1C[NH3+] 307905136 572749874 /nfs/dbraw/zinc/74/98/74/572749874.db2.gz BTSQYBYHUNVFMZ-VMZHVLLKSA-N 1 3 168.284 1.376 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923380 572750443 /nfs/dbraw/zinc/75/04/43/572750443.db2.gz SEDKJBJIVYNCFK-DDHJBXDOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923380 572750446 /nfs/dbraw/zinc/75/04/46/572750446.db2.gz SEDKJBJIVYNCFK-DDHJBXDOSA-N 1 3 196.338 1.844 10 0 ADAEHO NC[C@H]1CC[C@H]1[N@H+](CC1CC1)C1CC1 87923324 572750519 /nfs/dbraw/zinc/75/05/19/572750519.db2.gz UWGQZUOHMUYHGJ-ZYHUDNBSSA-N 1 3 194.322 1.598 10 0 ADAEHO NC[C@H]1CC[C@H]1[N@@H+](CC1CC1)C1CC1 87923324 572750522 /nfs/dbraw/zinc/75/05/22/572750522.db2.gz UWGQZUOHMUYHGJ-ZYHUDNBSSA-N 1 3 194.322 1.598 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H]1N(CC1CC1)C1CC1 87923324 572750526 /nfs/dbraw/zinc/75/05/26/572750526.db2.gz UWGQZUOHMUYHGJ-ZYHUDNBSSA-N 1 3 194.322 1.598 10 0 ADAEHO C[C@H]1CC[C@H](C)[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923379 572750786 /nfs/dbraw/zinc/75/07/86/572750786.db2.gz SEDKJBJIVYNCFK-NNYUYHANSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@H](C)[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923379 572750788 /nfs/dbraw/zinc/75/07/88/572750788.db2.gz SEDKJBJIVYNCFK-NNYUYHANSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC(C)(C)[N@H+](C)[C@H]1CC[C@@H]1CN 87923249 572751105 /nfs/dbraw/zinc/75/11/05/572751105.db2.gz MKKSCAXRVMDQFV-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H]1CN 87923249 572751109 /nfs/dbraw/zinc/75/11/09/572751109.db2.gz MKKSCAXRVMDQFV-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCC[C@@](N)(C[NH+]2CCCC2)C1 70905046 572751435 /nfs/dbraw/zinc/75/14/35/572751435.db2.gz KAFPVMWUPXLHNV-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO CCNC[C@@]1([NH3+])CCC[C@H](C)C1 70905958 572751518 /nfs/dbraw/zinc/75/15/18/572751518.db2.gz JKRCPMCJXYROTQ-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)NC[C@]1([NH3+])CCC[C@H](C)C1 70905829 572751628 /nfs/dbraw/zinc/75/16/28/572751628.db2.gz YMJHIWBDKKSMRL-QWRGUYRKSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@](C)(C[NH3+])Nc1ccncc1 70895067 572751904 /nfs/dbraw/zinc/75/19/04/572751904.db2.gz RMKKASNOVMCASR-JTQLQIEISA-N 1 3 179.267 1.621 10 0 ADAEHO C[C@H]1CCC[C@@](N)(C[NH+]2CCCC2)C1 70905052 572751925 /nfs/dbraw/zinc/75/19/25/572751925.db2.gz KAFPVMWUPXLHNV-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]1CCC[C@](N)(C[NH+]2CCCC2)C1 70905036 572752716 /nfs/dbraw/zinc/75/27/16/572752716.db2.gz KAFPVMWUPXLHNV-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO CCNC[C@]1([NH3+])CCC[C@@H](C)C1 70905963 572752780 /nfs/dbraw/zinc/75/27/80/572752780.db2.gz JKRCPMCJXYROTQ-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO C/C=C\CNC[C@@H]1CC[N@@H+](CC)C1 308112584 572752836 /nfs/dbraw/zinc/75/28/36/572752836.db2.gz ZVOWYDWWFHIRHC-MZBZXASESA-N 1 3 182.311 1.494 10 0 ADAEHO C/C=C\CNC[C@@H]1CC[N@H+](CC)C1 308112584 572752841 /nfs/dbraw/zinc/75/28/41/572752841.db2.gz ZVOWYDWWFHIRHC-MZBZXASESA-N 1 3 182.311 1.494 10 0 ADAEHO C/C=C\C[NH2+]C[C@@H]1CCN(CC)C1 308112584 572752843 /nfs/dbraw/zinc/75/28/43/572752843.db2.gz ZVOWYDWWFHIRHC-MZBZXASESA-N 1 3 182.311 1.494 10 0 ADAEHO CCNC[C@@]1([NH3+])CCC[C@@H](C)C1 70905970 572752863 /nfs/dbraw/zinc/75/28/63/572752863.db2.gz JKRCPMCJXYROTQ-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO NCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]21 714286793 572752909 /nfs/dbraw/zinc/75/29/09/572752909.db2.gz UXUYRXJMYBBRTC-QJPTWQEYSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@H]1CCC[C@](N)(C[NH+]2CCCC2)C1 70905041 572752939 /nfs/dbraw/zinc/75/29/39/572752939.db2.gz KAFPVMWUPXLHNV-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)NC[C@]1([NH3+])CCC[C@@H](C)C1 70905824 572753317 /nfs/dbraw/zinc/75/33/17/572753317.db2.gz YMJHIWBDKKSMRL-MNOVXSKESA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1C[C@H]1NC[C@@]1([NH3+])CCC[C@@H](C)C1 70906268 572753560 /nfs/dbraw/zinc/75/35/60/572753560.db2.gz SFANRDACFACDKU-WRWGMCAJSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@](C)(C[NH3+])Nc1ccncc1 70895073 572754273 /nfs/dbraw/zinc/75/42/73/572754273.db2.gz RMKKASNOVMCASR-SNVBAGLBSA-N 1 3 179.267 1.621 10 0 ADAEHO NCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]21 714286795 572753851 /nfs/dbraw/zinc/75/38/51/572753851.db2.gz UXUYRXJMYBBRTC-SDDRHHMPSA-N 1 3 196.338 1.894 10 0 ADAEHO CCNC[C@]1([NH3+])CCC[C@H](C)C1 70905953 572754021 /nfs/dbraw/zinc/75/40/21/572754021.db2.gz JKRCPMCJXYROTQ-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)NC[C@@]1([NH3+])CCC[C@H](C)C1 70905821 572754410 /nfs/dbraw/zinc/75/44/10/572754410.db2.gz YMJHIWBDKKSMRL-WDEREUQCSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](N)C1 223104830 572755192 /nfs/dbraw/zinc/75/51/92/572755192.db2.gz VWFMTMIXFPOEFB-HBNTYKKESA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](N)C1 223104830 572755197 /nfs/dbraw/zinc/75/51/97/572755197.db2.gz VWFMTMIXFPOEFB-HBNTYKKESA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)NC[C@H]1CCCS1 308114770 572755328 /nfs/dbraw/zinc/75/53/28/572755328.db2.gz LYAAAJKTXFTJQU-DJLDLDEBSA-N 1 3 188.340 1.207 10 0 ADAEHO C[C@H](CN)C[NH2+]C(C)(C)C1CC1 308113452 572756437 /nfs/dbraw/zinc/75/64/37/572756437.db2.gz LHMFKRPHFCWZPY-MRVPVSSYSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(C)C 87947136 572758562 /nfs/dbraw/zinc/75/85/62/572758562.db2.gz LEPSJMGGHYQQOI-BDAKNGLRSA-N 1 3 158.289 1.182 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)NC[C@@H]1CCCS1 308114774 572756864 /nfs/dbraw/zinc/75/68/64/572756864.db2.gz LYAAAJKTXFTJQU-YIZRAAEISA-N 1 3 188.340 1.207 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)NC[C@@H]1CCCS1 308114768 572757440 /nfs/dbraw/zinc/75/74/40/572757440.db2.gz LYAAAJKTXFTJQU-CIUDSAMLSA-N 1 3 188.340 1.207 10 0 ADAEHO CC(C)C[NH2+]C[C@H](C)[C@@H](C)N(C)C 87947124 572758498 /nfs/dbraw/zinc/75/84/98/572758498.db2.gz MBSKDRCCCNGFRU-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N(C)CC 87947236 572758540 /nfs/dbraw/zinc/75/85/40/572758540.db2.gz RZDUYUBPUBNSGV-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(C)C1CC1 87947217 572758671 /nfs/dbraw/zinc/75/86/71/572758671.db2.gz FALPGVIHTQUZTD-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(C)CC 87947234 572758827 /nfs/dbraw/zinc/75/88/27/572758827.db2.gz RZDUYUBPUBNSGV-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO CCC[N@H+](C)[C@@H](C)[C@@H](C)CNCC 87947197 572759128 /nfs/dbraw/zinc/75/91/28/572759128.db2.gz TVMFRSHPDYYVQK-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[N@@H+](C)[C@@H](C)[C@@H](C)CNCC 87947197 572759132 /nfs/dbraw/zinc/75/91/32/572759132.db2.gz TVMFRSHPDYYVQK-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCN(C)[C@@H](C)[C@@H](C)C[NH2+]CC 87947197 572759134 /nfs/dbraw/zinc/75/91/34/572759134.db2.gz TVMFRSHPDYYVQK-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[N@H+](C)[C@H](C)[C@@H](C)CNCC 87947198 572759157 /nfs/dbraw/zinc/75/91/57/572759157.db2.gz TVMFRSHPDYYVQK-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[N@@H+](C)[C@H](C)[C@@H](C)CNCC 87947198 572759163 /nfs/dbraw/zinc/75/91/63/572759163.db2.gz TVMFRSHPDYYVQK-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCN(C)[C@H](C)[C@@H](C)C[NH2+]CC 87947198 572759166 /nfs/dbraw/zinc/75/91/66/572759166.db2.gz TVMFRSHPDYYVQK-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCNC[C@@H](C)[C@@H](C)[N@@H+](C)C(C)C 87947080 572759262 /nfs/dbraw/zinc/75/92/62/572759262.db2.gz FUKJSLLJSKWFFB-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1CC=CCC1 308115949 572759240 /nfs/dbraw/zinc/75/92/40/572759240.db2.gz MOBSZTCGBVDDLT-NXEZZACHSA-N 1 3 168.284 1.280 10 0 ADAEHO CCNC[C@@H](C)[C@@H](C)[N@H+](C)C(C)C 87947080 572759259 /nfs/dbraw/zinc/75/92/59/572759259.db2.gz FUKJSLLJSKWFFB-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(C)C(C)C 87947080 572759264 /nfs/dbraw/zinc/75/92/64/572759264.db2.gz FUKJSLLJSKWFFB-GHMZBOCLSA-N 1 3 186.343 1.961 10 0 ADAEHO CC(C)C[NH2+]C[C@H](C)[C@H](C)N(C)C 87947129 572759408 /nfs/dbraw/zinc/75/94/08/572759408.db2.gz MBSKDRCCCNGFRU-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N1CCCC1 87946944 572759489 /nfs/dbraw/zinc/75/94/89/572759489.db2.gz XZBAQHQCQQGOFO-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[NH+]1CCCC1 87946944 572759492 /nfs/dbraw/zinc/75/94/92/572759492.db2.gz XZBAQHQCQQGOFO-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H](C)[C@H](C)[NH+]1CCCC1 87946949 572760149 /nfs/dbraw/zinc/76/01/49/572760149.db2.gz XZBAQHQCQQGOFO-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(C)C 87947131 572759516 /nfs/dbraw/zinc/75/95/16/572759516.db2.gz LEPSJMGGHYQQOI-RKDXNWHRSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(C)C1CC1 87947220 572759656 /nfs/dbraw/zinc/75/96/56/572759656.db2.gz FALPGVIHTQUZTD-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CCNC[C@@H](C)[C@H](C)[N@H+](C)CC1CC1 87947614 572759753 /nfs/dbraw/zinc/75/97/53/572759753.db2.gz QTSAGRQMQOSQDC-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@H]1CC=CCC1 308115950 572759755 /nfs/dbraw/zinc/75/97/55/572759755.db2.gz MOBSZTCGBVDDLT-UWVGGRQHSA-N 1 3 168.284 1.280 10 0 ADAEHO CCNC[C@@H](C)[C@H](C)[N@@H+](C)CC1CC1 87947614 572759757 /nfs/dbraw/zinc/75/97/57/572759757.db2.gz QTSAGRQMQOSQDC-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(C)CC1CC1 87947614 572759762 /nfs/dbraw/zinc/75/97/62/572759762.db2.gz QTSAGRQMQOSQDC-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H]1CC=CCC1 308115952 572759765 /nfs/dbraw/zinc/75/97/65/572759765.db2.gz MOBSZTCGBVDDLT-ZJUUUORDSA-N 1 3 168.284 1.280 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N1CCCC1 87946949 572760145 /nfs/dbraw/zinc/76/01/45/572760145.db2.gz XZBAQHQCQQGOFO-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(C)CC 87947232 572760005 /nfs/dbraw/zinc/76/00/05/572760005.db2.gz RZDUYUBPUBNSGV-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(C)CC 87947230 572760103 /nfs/dbraw/zinc/76/01/03/572760103.db2.gz RZDUYUBPUBNSGV-NXEZZACHSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N(C)C1CC1 87947223 572760189 /nfs/dbraw/zinc/76/01/89/572760189.db2.gz FALPGVIHTQUZTD-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[NH2+]C[C@@H](C)[C@H](C)N(C)C 87947126 572760491 /nfs/dbraw/zinc/76/04/91/572760491.db2.gz MBSKDRCCCNGFRU-MNOVXSKESA-N 1 3 186.343 1.818 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H]1CC=CCC1 308115951 572760497 /nfs/dbraw/zinc/76/04/97/572760497.db2.gz MOBSZTCGBVDDLT-VHSXEESVSA-N 1 3 168.284 1.280 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[N@H+](C)CC1CC1 87947611 572760511 /nfs/dbraw/zinc/76/05/11/572760511.db2.gz QTSAGRQMQOSQDC-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 87947611 572760515 /nfs/dbraw/zinc/76/05/15/572760515.db2.gz QTSAGRQMQOSQDC-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(C)CC1CC1 87947611 572760517 /nfs/dbraw/zinc/76/05/17/572760517.db2.gz QTSAGRQMQOSQDC-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[N@H+](C)C(C)C 87947082 572760666 /nfs/dbraw/zinc/76/06/66/572760666.db2.gz FUKJSLLJSKWFFB-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[N@@H+](C)C(C)C 87947082 572760668 /nfs/dbraw/zinc/76/06/68/572760668.db2.gz FUKJSLLJSKWFFB-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(C)C(C)C 87947082 572760674 /nfs/dbraw/zinc/76/06/74/572760674.db2.gz FUKJSLLJSKWFFB-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@H](C)[C@H](C)[N@H+](C)C(C)C 87947088 572760718 /nfs/dbraw/zinc/76/07/18/572760718.db2.gz FUKJSLLJSKWFFB-QWRGUYRKSA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@H](C)[C@H](C)[N@@H+](C)C(C)C 87947088 572760722 /nfs/dbraw/zinc/76/07/22/572760722.db2.gz FUKJSLLJSKWFFB-QWRGUYRKSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N(C)C(C)C 87947088 572760729 /nfs/dbraw/zinc/76/07/29/572760729.db2.gz FUKJSLLJSKWFFB-QWRGUYRKSA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[NH+](CC)CC 87946979 572760866 /nfs/dbraw/zinc/76/08/66/572760866.db2.gz PIYURTCQCPUDMZ-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(CC)CC 87946979 572760871 /nfs/dbraw/zinc/76/08/71/572760871.db2.gz PIYURTCQCPUDMZ-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@@H](C)N(C)C 87947134 572760908 /nfs/dbraw/zinc/76/09/08/572760908.db2.gz LEPSJMGGHYQQOI-DTWKUNHWSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N1CCCC1 87946947 572760917 /nfs/dbraw/zinc/76/09/17/572760917.db2.gz XZBAQHQCQQGOFO-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H](C)[C@H](C)[NH+]1CCCC1 87946947 572760919 /nfs/dbraw/zinc/76/09/19/572760919.db2.gz XZBAQHQCQQGOFO-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H](C)[C@H](C)[N@@H+](C)CC1CC1 87947616 572760985 /nfs/dbraw/zinc/76/09/85/572760985.db2.gz QTSAGRQMQOSQDC-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@@H](C)[C@@H](C)[NH+](CC)CC 87946977 572760952 /nfs/dbraw/zinc/76/09/52/572760952.db2.gz PIYURTCQCPUDMZ-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N(C)CC1CC1 87947616 572760987 /nfs/dbraw/zinc/76/09/87/572760987.db2.gz QTSAGRQMQOSQDC-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(CC)CC 87946977 572760957 /nfs/dbraw/zinc/76/09/57/572760957.db2.gz PIYURTCQCPUDMZ-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCNC[C@H](C)[C@H](C)[N@H+](C)CC1CC1 87947616 572760981 /nfs/dbraw/zinc/76/09/81/572760981.db2.gz QTSAGRQMQOSQDC-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@@H](C)[C@H](C)[NH+](CC)CC 87946982 572761039 /nfs/dbraw/zinc/76/10/39/572761039.db2.gz PIYURTCQCPUDMZ-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(CC)CC 87946982 572761043 /nfs/dbraw/zinc/76/10/43/572761043.db2.gz PIYURTCQCPUDMZ-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC(C)C[NH2+]C[C@@H](C)[C@@H](C)N(C)C 87947121 572761132 /nfs/dbraw/zinc/76/11/32/572761132.db2.gz MBSKDRCCCNGFRU-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[N@@H+]1CC[C@H](C)C1 87947647 572761181 /nfs/dbraw/zinc/76/11/81/572761181.db2.gz SODAQELXQUWUFR-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H](C)[C@@H](C)[N@H+]1CC[C@H](C)C1 87947647 572761182 /nfs/dbraw/zinc/76/11/82/572761182.db2.gz SODAQELXQUWUFR-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@H](C)[C@H](C)[NH+](CC)CC 87946984 572761193 /nfs/dbraw/zinc/76/11/93/572761193.db2.gz PIYURTCQCPUDMZ-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N(CC)CC 87946984 572761194 /nfs/dbraw/zinc/76/11/94/572761194.db2.gz PIYURTCQCPUDMZ-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC(C)SCCN[C@H](C)C[NH3+] 307914545 572761650 /nfs/dbraw/zinc/76/16/50/572761650.db2.gz BDSJJXHCVRHYAR-MRVPVSSYSA-N 1 3 176.329 1.065 10 0 ADAEHO CCCNCc1csc(CC[NH3+])n1 85550002 572761861 /nfs/dbraw/zinc/76/18/61/572761861.db2.gz KOTREZLTNHYCFQ-UHFFFAOYSA-N 1 3 199.323 1.144 10 0 ADAEHO CC[N@H+](C)C[C@H](N)CC1CC1 307914329 572762432 /nfs/dbraw/zinc/76/24/32/572762432.db2.gz AUTHOSXBWPUGCX-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)C[C@H](N)CC1CC1 307914329 572762437 /nfs/dbraw/zinc/76/24/37/572762437.db2.gz AUTHOSXBWPUGCX-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](N)CC[NH2+]CCCCF 307912876 572762735 /nfs/dbraw/zinc/76/27/35/572762735.db2.gz YPGBOFBUAKUFAD-MRVPVSSYSA-N 1 3 162.252 1.063 10 0 ADAEHO C[N@@H+](CCCN)CCCCF 307913909 572763558 /nfs/dbraw/zinc/76/35/58/572763558.db2.gz ADSQVBBPKMLOKU-UHFFFAOYSA-N 1 3 162.252 1.017 10 0 ADAEHO CN(CCC[NH3+])CCCCF 307913909 572763561 /nfs/dbraw/zinc/76/35/61/572763561.db2.gz ADSQVBBPKMLOKU-UHFFFAOYSA-N 1 3 162.252 1.017 10 0 ADAEHO NCCC[NH2+]C[C@H]1Cc2ccccc21 85574117 572763562 /nfs/dbraw/zinc/76/35/62/572763562.db2.gz GUURCGSHEJPOBF-LLVKDONJSA-N 1 3 190.290 1.265 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CCCCF 308127476 572762980 /nfs/dbraw/zinc/76/29/80/572762980.db2.gz VZBCNZPHCFHZHH-SECBINFHSA-N 1 3 176.279 1.405 10 0 ADAEHO C[N@H+](CCCN)CCCCF 307913909 572763555 /nfs/dbraw/zinc/76/35/55/572763555.db2.gz ADSQVBBPKMLOKU-UHFFFAOYSA-N 1 3 162.252 1.017 10 0 ADAEHO [NH3+]CCCNC[C@H]1Cc2ccccc21 85574117 572763566 /nfs/dbraw/zinc/76/35/66/572763566.db2.gz GUURCGSHEJPOBF-LLVKDONJSA-N 1 3 190.290 1.265 10 0 ADAEHO C[C@H](N)CC[NH2+]CCCCF 307912877 572763588 /nfs/dbraw/zinc/76/35/88/572763588.db2.gz YPGBOFBUAKUFAD-QMMMGPOBSA-N 1 3 162.252 1.063 10 0 ADAEHO CC(C)SCCN[C@@H](C)C[NH3+] 307914546 572764235 /nfs/dbraw/zinc/76/42/35/572764235.db2.gz BDSJJXHCVRHYAR-QMMMGPOBSA-N 1 3 176.329 1.065 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CCCCF 308127477 572764905 /nfs/dbraw/zinc/76/49/05/572764905.db2.gz VZBCNZPHCFHZHH-VIFPVBQESA-N 1 3 176.279 1.405 10 0 ADAEHO NC[C@H]1CC[N@H+](CC2(C3CC3)CC2)C1 236215107 572764958 /nfs/dbraw/zinc/76/49/58/572764958.db2.gz LBZSHVRIIWPMLB-SNVBAGLBSA-N 1 3 194.322 1.457 10 0 ADAEHO NC[C@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236215107 572764962 /nfs/dbraw/zinc/76/49/62/572764962.db2.gz LBZSHVRIIWPMLB-SNVBAGLBSA-N 1 3 194.322 1.457 10 0 ADAEHO NCCC[NH2+]C[C@@H]1Cc2ccccc21 85574121 572764975 /nfs/dbraw/zinc/76/49/75/572764975.db2.gz GUURCGSHEJPOBF-NSHDSACASA-N 1 3 190.290 1.265 10 0 ADAEHO [NH3+]CCCNC[C@@H]1Cc2ccccc21 85574121 572764979 /nfs/dbraw/zinc/76/49/79/572764979.db2.gz GUURCGSHEJPOBF-NSHDSACASA-N 1 3 190.290 1.265 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C 308123269 572765256 /nfs/dbraw/zinc/76/52/56/572765256.db2.gz SHWZLRVASWJMDH-NXEZZACHSA-N 1 3 172.316 1.572 10 0 ADAEHO CSCC[C@@H](C)NCC(C)(C)[NH3+] 308122159 572765615 /nfs/dbraw/zinc/76/56/15/572765615.db2.gz RFBFBZKQOCTDKD-MRVPVSSYSA-N 1 3 190.356 1.455 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCNC1(C)C 307915035 572765738 /nfs/dbraw/zinc/76/57/38/572765738.db2.gz QJRYKHIRCWLNHH-VHSXEESVSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H](C)CN(C)C 308123270 572765827 /nfs/dbraw/zinc/76/58/27/572765827.db2.gz SHWZLRVASWJMDH-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CN1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 85579314 572765940 /nfs/dbraw/zinc/76/59/40/572765940.db2.gz BHBRCZWFBQMIKM-NSHDSACASA-N 1 3 193.294 1.056 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@@H]1CCNC1(C)C 307915033 572766172 /nfs/dbraw/zinc/76/61/72/572766172.db2.gz QJRYKHIRCWLNHH-NXEZZACHSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCNC1(C)C 307915034 572766695 /nfs/dbraw/zinc/76/66/95/572766695.db2.gz QJRYKHIRCWLNHH-UWVGGRQHSA-N 1 3 184.327 1.905 10 0 ADAEHO CCSCCCN[C@H](C)[C@@H](C)[NH3+] 308123328 572766861 /nfs/dbraw/zinc/76/68/61/572766861.db2.gz SKCLSGDOPPLCAK-RKDXNWHRSA-N 1 3 190.356 1.455 10 0 ADAEHO CN1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 85579309 572767091 /nfs/dbraw/zinc/76/70/91/572767091.db2.gz BHBRCZWFBQMIKM-LLVKDONJSA-N 1 3 193.294 1.056 10 0 ADAEHO CSCC[C@H](C)NCC(C)(C)[NH3+] 308122160 572767324 /nfs/dbraw/zinc/76/73/24/572767324.db2.gz RFBFBZKQOCTDKD-QMMMGPOBSA-N 1 3 190.356 1.455 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@H]1CCNC1(C)C 307915036 572767368 /nfs/dbraw/zinc/76/73/68/572767368.db2.gz QJRYKHIRCWLNHH-ZJUUUORDSA-N 1 3 184.327 1.905 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN1CCC1 308123456 572768687 /nfs/dbraw/zinc/76/86/87/572768687.db2.gz SLSKVISJFIEXFY-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CCN(C)CC(C)(C)[C@H](C)[NH2+]C 85678407 572768841 /nfs/dbraw/zinc/76/88/41/572768841.db2.gz CGNSGMBACBLEBZ-VIFPVBQESA-N 1 3 172.316 1.572 10 0 ADAEHO C[C@@H]([NH3+])C(C)(C)CN(C)C1CC1 85678428 572769119 /nfs/dbraw/zinc/76/91/19/572769119.db2.gz BJBZIKMMRWSGQW-MRVPVSSYSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@@H](C[NH3+])NCCSC 307918367 572769216 /nfs/dbraw/zinc/76/92/16/572769216.db2.gz DUAUXOAMFMCLNA-QMMMGPOBSA-N 1 3 176.329 1.066 10 0 ADAEHO C[C@H]([NH3+])C(C)(C)CN(C)C1CC1 85678426 572769319 /nfs/dbraw/zinc/76/93/19/572769319.db2.gz BJBZIKMMRWSGQW-QMMMGPOBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+](C)CC(C)(C)[C@@H](C)N 85678212 572769346 /nfs/dbraw/zinc/76/93/46/572769346.db2.gz BACSKQTWFORUOA-SECBINFHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[N@@H+](C)CC(C)(C)[C@@H](C)N 85678212 572769349 /nfs/dbraw/zinc/76/93/49/572769349.db2.gz BACSKQTWFORUOA-SECBINFHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)N(C)CC(C)(C)[C@@H](C)[NH3+] 85678212 572769353 /nfs/dbraw/zinc/76/93/53/572769353.db2.gz BACSKQTWFORUOA-SECBINFHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[NH2+][C@@H](C)C(C)(C)CN(C)CC 85678401 572769364 /nfs/dbraw/zinc/76/93/64/572769364.db2.gz KACKUOXMRVIQJS-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CCCn1ccc(CNCCC[NH3+])c1 85605709 572769468 /nfs/dbraw/zinc/76/94/68/572769468.db2.gz ZOHGDAZQFYDAIO-UHFFFAOYSA-N 1 3 195.310 1.337 10 0 ADAEHO CCC[N@H+](C)CC(C)(C)[C@H](C)N 85678468 572769649 /nfs/dbraw/zinc/76/96/49/572769649.db2.gz OIJQMNUWHKINBT-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+](C)CC(C)(C)[C@H](C)N 85678468 572769652 /nfs/dbraw/zinc/76/96/52/572769652.db2.gz OIJQMNUWHKINBT-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CCCN(C)CC(C)(C)[C@H](C)[NH3+] 85678468 572769655 /nfs/dbraw/zinc/76/96/55/572769655.db2.gz OIJQMNUWHKINBT-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C[NH2+][C@H](C)C(C)(C)CN(C)C(C)C 85678225 572769686 /nfs/dbraw/zinc/76/96/86/572769686.db2.gz ZDYRVGKDWCNRQC-SNVBAGLBSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)[C@@H](C)N 85679630 572769955 /nfs/dbraw/zinc/76/99/55/572769955.db2.gz OXOVDDUAEHNWJX-MXWKQRLJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)CC(C)(C)[C@@H](C)N 85679630 572769960 /nfs/dbraw/zinc/76/99/60/572769960.db2.gz OXOVDDUAEHNWJX-MXWKQRLJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)CC(C)(C)[C@@H](C)[NH3+] 85679630 572769963 /nfs/dbraw/zinc/76/99/63/572769963.db2.gz OXOVDDUAEHNWJX-MXWKQRLJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[NH2+][C@@H](C)C(C)(C)CN(C)C(C)C 85678228 572770007 /nfs/dbraw/zinc/77/00/07/572770007.db2.gz ZDYRVGKDWCNRQC-JTQLQIEISA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@H+](C)CC1CC1 85678838 572770073 /nfs/dbraw/zinc/77/00/73/572770073.db2.gz DEZNTQSFBHULII-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@@H+](C)CC1CC1 85678838 572770074 /nfs/dbraw/zinc/77/00/74/572770074.db2.gz DEZNTQSFBHULII-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]([NH3+])C(C)(C)CN(C)CC1CC1 85678838 572770079 /nfs/dbraw/zinc/77/00/79/572770079.db2.gz DEZNTQSFBHULII-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO C/C=C/CCNCC(C)(C)[NH2+]C 308125547 572770271 /nfs/dbraw/zinc/77/02/71/572770271.db2.gz VGQQRDVFEASHQU-AATRIKPKSA-N 1 3 170.300 1.540 10 0 ADAEHO CCN(CC)CC(C)(C)[C@@H](C)[NH2+]C 85678122 572770536 /nfs/dbraw/zinc/77/05/36/572770536.db2.gz WJAZYFGPXFVGHN-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@@H](N)C(C)(C)C[N@H+](C)CC1CC1 85678841 572770606 /nfs/dbraw/zinc/77/06/06/572770606.db2.gz DEZNTQSFBHULII-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)C(C)(C)C[N@@H+](C)CC1CC1 85678841 572770609 /nfs/dbraw/zinc/77/06/09/572770609.db2.gz DEZNTQSFBHULII-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([NH3+])C(C)(C)CN(C)CC1CC1 85678841 572770611 /nfs/dbraw/zinc/77/06/11/572770611.db2.gz DEZNTQSFBHULII-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@H](C)C(C)(C)CN1CCCC1 85678075 572770644 /nfs/dbraw/zinc/77/06/44/572770644.db2.gz WZTLWNXISJGVIV-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)C(C)(C)C[NH+]1CCCC1 85678075 572770645 /nfs/dbraw/zinc/77/06/45/572770645.db2.gz WZTLWNXISJGVIV-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO C/C=C\CCNCC(C)(C)[NH2+]C 308125553 572770651 /nfs/dbraw/zinc/77/06/51/572770651.db2.gz VGQQRDVFEASHQU-WAYWQWQTSA-N 1 3 170.300 1.540 10 0 ADAEHO CC[NH+](CC)CC(C)(C)[C@H](C)N 85678108 572770824 /nfs/dbraw/zinc/77/08/24/572770824.db2.gz PNNBYOPTOARHPL-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CCN(CC)CC(C)(C)[C@H](C)[NH3+] 85678108 572770827 /nfs/dbraw/zinc/77/08/27/572770827.db2.gz PNNBYOPTOARHPL-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CCCN(C)CC(C)(C)[C@@H](C)[NH2+]C 85678478 572770959 /nfs/dbraw/zinc/77/09/59/572770959.db2.gz UAXVQRUYQRLYDQ-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CC(C)C[N@H+](C)CC(C)(C)[C@@H](C)N 85678494 572770971 /nfs/dbraw/zinc/77/09/71/572770971.db2.gz ZUDQQTINFRYULK-SNVBAGLBSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[N@@H+](C)CC(C)(C)[C@@H](C)N 85678494 572770974 /nfs/dbraw/zinc/77/09/74/572770974.db2.gz ZUDQQTINFRYULK-SNVBAGLBSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)CN(C)CC(C)(C)[C@@H](C)[NH3+] 85678494 572770978 /nfs/dbraw/zinc/77/09/78/572770978.db2.gz ZUDQQTINFRYULK-SNVBAGLBSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[N@H+](C)CC(C)(C)[C@@H](C)N 85678467 572771154 /nfs/dbraw/zinc/77/11/54/572771154.db2.gz OIJQMNUWHKINBT-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+](C)CC(C)(C)[C@@H](C)N 85678467 572771158 /nfs/dbraw/zinc/77/11/58/572771158.db2.gz OIJQMNUWHKINBT-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCCN(C)CC(C)(C)[C@@H](C)[NH3+] 85678467 572771163 /nfs/dbraw/zinc/77/11/63/572771163.db2.gz OIJQMNUWHKINBT-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[NH2+][C@@H](C)C(C)(C)CN1CCCC1 85678072 572771416 /nfs/dbraw/zinc/77/14/16/572771416.db2.gz WZTLWNXISJGVIV-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](C)C(C)(C)C[NH+]1CCCC1 85678072 572771421 /nfs/dbraw/zinc/77/14/21/572771421.db2.gz WZTLWNXISJGVIV-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@H+](C)CC(C)(C)[C@H](C)N 85678496 572771548 /nfs/dbraw/zinc/77/15/48/572771548.db2.gz ZUDQQTINFRYULK-JTQLQIEISA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[N@@H+](C)CC(C)(C)[C@H](C)N 85678496 572771551 /nfs/dbraw/zinc/77/15/51/572771551.db2.gz ZUDQQTINFRYULK-JTQLQIEISA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)CN(C)CC(C)(C)[C@H](C)[NH3+] 85678496 572771555 /nfs/dbraw/zinc/77/15/55/572771555.db2.gz ZUDQQTINFRYULK-JTQLQIEISA-N 1 3 186.343 1.948 10 0 ADAEHO CC[NH+](CC)CC(C)(C)[C@@H](C)N 85678104 572771563 /nfs/dbraw/zinc/77/15/63/572771563.db2.gz PNNBYOPTOARHPL-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCN(CC)CC(C)(C)[C@@H](C)[NH3+] 85678104 572771567 /nfs/dbraw/zinc/77/15/67/572771567.db2.gz PNNBYOPTOARHPL-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[NH2+][C@H](C)C(C)(C)CN(C)CC 85678403 572771755 /nfs/dbraw/zinc/77/17/55/572771755.db2.gz KACKUOXMRVIQJS-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCN(C)CC(C)(C)[C@H](C)[NH2+]C 85678480 572772005 /nfs/dbraw/zinc/77/20/05/572772005.db2.gz UAXVQRUYQRLYDQ-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CC(C)[N@H+](C)CC(C)(C)[C@H](C)N 85678213 572772048 /nfs/dbraw/zinc/77/20/48/572772048.db2.gz BACSKQTWFORUOA-VIFPVBQESA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)[N@@H+](C)CC(C)(C)[C@H](C)N 85678213 572772052 /nfs/dbraw/zinc/77/20/52/572772052.db2.gz BACSKQTWFORUOA-VIFPVBQESA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)N(C)CC(C)(C)[C@H](C)[NH3+] 85678213 572772065 /nfs/dbraw/zinc/77/20/65/572772065.db2.gz BACSKQTWFORUOA-VIFPVBQESA-N 1 3 172.316 1.700 10 0 ADAEHO CCN(CC(C)(C)[C@@H](C)[NH3+])C1CC1 85678409 572772132 /nfs/dbraw/zinc/77/21/32/572772132.db2.gz NWHHLIUGRVCPFD-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](CC(C)(C)[C@@H](C)N)C1CC1 85678409 572772137 /nfs/dbraw/zinc/77/21/37/572772137.db2.gz NWHHLIUGRVCPFD-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC(C)(C)[C@@H](C)N)C1CC1 85678409 572772142 /nfs/dbraw/zinc/77/21/42/572772142.db2.gz NWHHLIUGRVCPFD-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+]C[C@H]1CCN(CCCCF)C1 308125221 572772198 /nfs/dbraw/zinc/77/21/98/572772198.db2.gz ANQFHHKGEAHXHE-SNVBAGLBSA-N 1 3 188.290 1.277 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)[C@@H](C)N 85679626 572772210 /nfs/dbraw/zinc/77/22/10/572772210.db2.gz OXOVDDUAEHNWJX-GMTAPVOTSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)CC(C)(C)[C@@H](C)N 85679626 572772215 /nfs/dbraw/zinc/77/22/15/572772215.db2.gz OXOVDDUAEHNWJX-GMTAPVOTSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)CC(C)(C)[C@@H](C)[NH3+] 85679626 572772221 /nfs/dbraw/zinc/77/22/21/572772221.db2.gz OXOVDDUAEHNWJX-GMTAPVOTSA-N 1 3 198.354 1.948 10 0 ADAEHO CCN(CC)CC(C)(C)[C@H](C)[NH2+]C 85678126 572772497 /nfs/dbraw/zinc/77/24/97/572772497.db2.gz WJAZYFGPXFVGHN-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC(C)(C)[C@H](C)[NH3+])C1CC1 85678411 572772784 /nfs/dbraw/zinc/77/27/84/572772784.db2.gz NWHHLIUGRVCPFD-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](CC(C)(C)[C@H](C)N)C1CC1 85678411 572772789 /nfs/dbraw/zinc/77/27/89/572772789.db2.gz NWHHLIUGRVCPFD-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC(C)(C)[C@H](C)N)C1CC1 85678411 572772792 /nfs/dbraw/zinc/77/27/92/572772792.db2.gz NWHHLIUGRVCPFD-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO CSC1(CNCC(C)(C)[NH3+])CC1 308127156 572773998 /nfs/dbraw/zinc/77/39/98/572773998.db2.gz VTUZCAVSJWBPKO-UHFFFAOYSA-N 1 3 188.340 1.209 10 0 ADAEHO CCN(C)CC[C@@H]1CSCC[NH2+]1 85615239 572774280 /nfs/dbraw/zinc/77/42/80/572774280.db2.gz OVBFIMWNWNTYCI-SECBINFHSA-N 1 3 188.340 1.033 10 0 ADAEHO CCC[NH2+][C@@H](C)c1cnc(N)[nH]1 307928966 572777948 /nfs/dbraw/zinc/77/79/48/572777948.db2.gz AYYKAWWBJUSEIE-LURJTMIESA-N 1 3 168.244 1.053 10 0 ADAEHO CCC[NH2+][C@H](C)c1cnc(N)[nH]1 307928967 572778243 /nfs/dbraw/zinc/77/82/43/572778243.db2.gz AYYKAWWBJUSEIE-ZCFIWIBFSA-N 1 3 168.244 1.053 10 0 ADAEHO CCCC[N@H+](CC)[C@@H]1CC[C@@H](N)C1 223111138 572778727 /nfs/dbraw/zinc/77/87/27/572778727.db2.gz QYZGCRBORUKFLJ-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[N@@H+](CC)[C@@H]1CC[C@@H](N)C1 223111138 572778729 /nfs/dbraw/zinc/77/87/29/572778729.db2.gz QYZGCRBORUKFLJ-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC(C)(CC)[NH2+]C[C@@H](C)CN 307929990 572778780 /nfs/dbraw/zinc/77/87/80/572778780.db2.gz BOGYAVWYXCVFMA-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO CCC(C)(CC)[NH2+]C[C@H](C)CN 307929988 572778890 /nfs/dbraw/zinc/77/88/90/572778890.db2.gz BOGYAVWYXCVFMA-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO [NH3+][C@H](CNC1CC1)CC(F)(F)F 308119919 572779240 /nfs/dbraw/zinc/77/92/40/572779240.db2.gz OKSPHSANWYGTQE-YFKPBYRVSA-N 1 3 182.189 1.018 10 0 ADAEHO CCSC[C@H](C)[NH2+]C[C@@H](C)CN 307930066 572779445 /nfs/dbraw/zinc/77/94/45/572779445.db2.gz BPLKUGVORWZZMF-IUCAKERBSA-N 1 3 190.356 1.312 10 0 ADAEHO CCSC[C@H](C)NC[C@@H](C)C[NH3+] 307930066 572779448 /nfs/dbraw/zinc/77/94/48/572779448.db2.gz BPLKUGVORWZZMF-IUCAKERBSA-N 1 3 190.356 1.312 10 0 ADAEHO C1C[NH2+][C@H](CCCN2CCC2)C1 308119906 572779591 /nfs/dbraw/zinc/77/95/91/572779591.db2.gz OKLFUEGZUCXISL-JTQLQIEISA-N 1 3 168.284 1.224 10 0 ADAEHO CCSC[C@H](C)[NH2+]C[C@H](C)CN 307930053 572779995 /nfs/dbraw/zinc/77/99/95/572779995.db2.gz BPLKUGVORWZZMF-BDAKNGLRSA-N 1 3 190.356 1.312 10 0 ADAEHO CCSC[C@H](C)NC[C@H](C)C[NH3+] 307930053 572779999 /nfs/dbraw/zinc/77/99/99/572779999.db2.gz BPLKUGVORWZZMF-BDAKNGLRSA-N 1 3 190.356 1.312 10 0 ADAEHO CCSC[C@@H](C)[NH2+]C[C@H](C)CN 307930070 572780009 /nfs/dbraw/zinc/78/00/09/572780009.db2.gz BPLKUGVORWZZMF-RKDXNWHRSA-N 1 3 190.356 1.312 10 0 ADAEHO CCSC[C@@H](C)NC[C@H](C)C[NH3+] 307930070 572780012 /nfs/dbraw/zinc/78/00/12/572780012.db2.gz BPLKUGVORWZZMF-RKDXNWHRSA-N 1 3 190.356 1.312 10 0 ADAEHO C1C[NH2+][C@@H](CCCN2CCC2)C1 308119907 572780330 /nfs/dbraw/zinc/78/03/30/572780330.db2.gz OKLFUEGZUCXISL-SNVBAGLBSA-N 1 3 168.284 1.224 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCN[C@@H]1C 308119409 572780347 /nfs/dbraw/zinc/78/03/47/572780347.db2.gz CLHRCQYSLYSRBT-HBNTYKKESA-N 1 3 184.327 1.761 10 0 ADAEHO [NH2+]=C1CCCN1[C@@H]1CCN2CCC[C@H]12 49568791 572780373 /nfs/dbraw/zinc/78/03/73/572780373.db2.gz MATHITWFQWRALA-NXEZZACHSA-N 1 3 193.294 1.296 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@H]1CCN[C@H]1C 308119407 572780389 /nfs/dbraw/zinc/78/03/89/572780389.db2.gz CLHRCQYSLYSRBT-DCAQKATOSA-N 1 3 184.327 1.761 10 0 ADAEHO [NH2+]=C1CCCN1[C@@H]1CCN2CCC[C@@H]12 49568792 572781053 /nfs/dbraw/zinc/78/10/53/572781053.db2.gz MATHITWFQWRALA-VHSXEESVSA-N 1 3 193.294 1.296 10 0 ADAEHO [NH3+][C@@H](CNC1CC1)CC(F)(F)F 308119918 572781960 /nfs/dbraw/zinc/78/19/60/572781960.db2.gz OKSPHSANWYGTQE-RXMQYKEDSA-N 1 3 182.189 1.018 10 0 ADAEHO NC[C@H](CC1CC1)C[N@H+]1C[C@H]2C[C@H]2C1 404706806 572782221 /nfs/dbraw/zinc/78/22/21/572782221.db2.gz AZPGPFNOJDFSCS-SDDRHHMPSA-N 1 3 194.322 1.313 10 0 ADAEHO NC[C@H](CC1CC1)C[N@@H+]1C[C@H]2C[C@H]2C1 404706806 572782223 /nfs/dbraw/zinc/78/22/23/572782223.db2.gz AZPGPFNOJDFSCS-SDDRHHMPSA-N 1 3 194.322 1.313 10 0 ADAEHO CN1CC[C@H](CN2CCCCC2=[NH2+])C1 49584257 572782320 /nfs/dbraw/zinc/78/23/20/572782320.db2.gz HFIWBYYIVFDSOD-JTQLQIEISA-N 1 3 195.310 1.401 10 0 ADAEHO CN(C)CCCN1CCCCC1=[NH2+] 49584081 572782498 /nfs/dbraw/zinc/78/24/98/572782498.db2.gz ZBCCDNGLPNTJNJ-UHFFFAOYSA-N 1 3 183.299 1.401 10 0 ADAEHO NC[C@@H](CC1CC1)C[N@H+]1C[C@H]2C[C@H]2C1 404706818 572782828 /nfs/dbraw/zinc/78/28/28/572782828.db2.gz AZPGPFNOJDFSCS-UTUOFQBUSA-N 1 3 194.322 1.313 10 0 ADAEHO NC[C@@H](CC1CC1)C[N@@H+]1C[C@H]2C[C@H]2C1 404706818 572782832 /nfs/dbraw/zinc/78/28/32/572782832.db2.gz AZPGPFNOJDFSCS-UTUOFQBUSA-N 1 3 194.322 1.313 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@H+](CCCCF)C1 308129063 572783747 /nfs/dbraw/zinc/78/37/47/572783747.db2.gz CQTJKAKKJWWFIV-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@@H+](CCCCF)C1 308129063 572783749 /nfs/dbraw/zinc/78/37/49/572783749.db2.gz CQTJKAKKJWWFIV-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]1C[C@@H](N)C[N@H+](CCCCF)C1 308129060 572784182 /nfs/dbraw/zinc/78/41/82/572784182.db2.gz CQTJKAKKJWWFIV-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]1C[C@@H](N)C[N@@H+](CCCCF)C1 308129060 572784185 /nfs/dbraw/zinc/78/41/85/572784185.db2.gz CQTJKAKKJWWFIV-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]1C[C@H](N)C[N@H+](CCCCF)C1 308129058 572784871 /nfs/dbraw/zinc/78/48/71/572784871.db2.gz CQTJKAKKJWWFIV-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]1C[C@H](N)C[N@@H+](CCCCF)C1 308129058 572784873 /nfs/dbraw/zinc/78/48/73/572784873.db2.gz CQTJKAKKJWWFIV-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO CSC1(C[NH2+]C[C@H](C)CN)CC1 307932127 572784875 /nfs/dbraw/zinc/78/48/75/572784875.db2.gz ACOOJIVWYWKJDV-MRVPVSSYSA-N 1 3 188.340 1.066 10 0 ADAEHO [NH3+]C1CCN(CCCCF)CC1 238548903 572785388 /nfs/dbraw/zinc/78/53/88/572785388.db2.gz GTFGSKMIEZGOMG-UHFFFAOYSA-N 1 3 174.263 1.159 10 0 ADAEHO CSC1(C[NH2+]C[C@@H](C)CN)CC1 307932130 572785413 /nfs/dbraw/zinc/78/54/13/572785413.db2.gz ACOOJIVWYWKJDV-QMMMGPOBSA-N 1 3 188.340 1.066 10 0 ADAEHO CNC1(C[NH2+]C2CC2)CCCC1 307932092 572785484 /nfs/dbraw/zinc/78/54/84/572785484.db2.gz ABFLZZZJZDPJBB-UHFFFAOYSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[NH2+]CC[C@@H]1CCCCN1 141597189 572785828 /nfs/dbraw/zinc/78/58/28/572785828.db2.gz YPNZHTWMIVJNMZ-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO CCNCC[C@@H]1CCCC[NH2+]1 141597189 572785831 /nfs/dbraw/zinc/78/58/31/572785831.db2.gz YPNZHTWMIVJNMZ-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO CCCC1(C[NH2+][C@@H](C)CCN)CC1 308131446 572786610 /nfs/dbraw/zinc/78/66/10/572786610.db2.gz DZTWXCJTUWNION-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH2+]CC1(CN)CCC1 308131559 572786714 /nfs/dbraw/zinc/78/67/14/572786714.db2.gz FDUCAMFYUXIWCS-UWVGGRQHSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1CCN(CCCCF)[C@H]1C[NH3+] 308131455 572786853 /nfs/dbraw/zinc/78/68/53/572786853.db2.gz DZUNSGQMADKEBS-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H]1CC[N@H+](CCCCF)CCN1 308131211 572787067 /nfs/dbraw/zinc/78/70/67/572787067.db2.gz JAMRRFMNSAFJPM-SNVBAGLBSA-N 1 3 188.290 1.420 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCCCF)CCN1 308131211 572787070 /nfs/dbraw/zinc/78/70/70/572787070.db2.gz JAMRRFMNSAFJPM-SNVBAGLBSA-N 1 3 188.290 1.420 10 0 ADAEHO C[C@H]1CC[C@H]1[NH2+]CC1(CN)CCC1 308131560 572787688 /nfs/dbraw/zinc/78/76/88/572787688.db2.gz FDUCAMFYUXIWCS-VHSXEESVSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+]CC1(CN)CCC1 308131557 572787927 /nfs/dbraw/zinc/78/79/27/572787927.db2.gz FDUCAMFYUXIWCS-NXEZZACHSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+]CC1(CN)CCC1 308131562 572788161 /nfs/dbraw/zinc/78/81/61/572788161.db2.gz FDUCAMFYUXIWCS-ZJUUUORDSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1CCN(CCCCF)[C@@H]1C[NH3+] 308131449 572788298 /nfs/dbraw/zinc/78/82/98/572788298.db2.gz DZUNSGQMADKEBS-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO CCCC1(C[NH2+][C@H](C)CCN)CC1 308131448 572788459 /nfs/dbraw/zinc/78/84/59/572788459.db2.gz DZTWXCJTUWNION-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@H]1CC[N@H+](CCCCF)CCN1 308131210 572788565 /nfs/dbraw/zinc/78/85/65/572788565.db2.gz JAMRRFMNSAFJPM-JTQLQIEISA-N 1 3 188.290 1.420 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCCF)CCN1 308131210 572788567 /nfs/dbraw/zinc/78/85/67/572788567.db2.gz JAMRRFMNSAFJPM-JTQLQIEISA-N 1 3 188.290 1.420 10 0 ADAEHO C[C@H]1CCN(CCCCF)[C@@H]1C[NH3+] 308131453 572789075 /nfs/dbraw/zinc/78/90/75/572789075.db2.gz DZUNSGQMADKEBS-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)([C@H]([NH3+])CC1CC1)N1CCCC1 85740429 572789473 /nfs/dbraw/zinc/78/94/73/572789473.db2.gz LQUSPZCFWVJRKT-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1C[C@H]([NH+](CC)CC)CCN1 307768303 572790017 /nfs/dbraw/zinc/79/00/17/572790017.db2.gz JWIOATRIMKPKGY-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1C[C@H](N(CC)CC)CC[NH2+]1 307768303 572790021 /nfs/dbraw/zinc/79/00/21/572790021.db2.gz JWIOATRIMKPKGY-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[C@H]([NH+](CC)CC)CCN1 307768300 572790130 /nfs/dbraw/zinc/79/01/30/572790130.db2.gz JWIOATRIMKPKGY-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[C@H](N(CC)CC)CC[NH2+]1 307768300 572790135 /nfs/dbraw/zinc/79/01/35/572790135.db2.gz JWIOATRIMKPKGY-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)([C@@H]([NH3+])CC1CC1)N1CCCC1 85740436 572790545 /nfs/dbraw/zinc/79/05/45/572790545.db2.gz LQUSPZCFWVJRKT-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CNCC[N@H+](CCCCF)C1 308131697 572790988 /nfs/dbraw/zinc/79/09/88/572790988.db2.gz JVRROACBVXQLAK-SNVBAGLBSA-N 1 3 188.290 1.277 10 0 ADAEHO C[C@@H]1CNCC[N@@H+](CCCCF)C1 308131697 572790993 /nfs/dbraw/zinc/79/09/93/572790993.db2.gz JVRROACBVXQLAK-SNVBAGLBSA-N 1 3 188.290 1.277 10 0 ADAEHO CC[C@H]1C[C@@H]([NH+](CC)CC)CCN1 307768302 572791038 /nfs/dbraw/zinc/79/10/38/572791038.db2.gz JWIOATRIMKPKGY-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1C[C@@H](N(CC)CC)CC[NH2+]1 307768302 572791041 /nfs/dbraw/zinc/79/10/41/572791041.db2.gz JWIOATRIMKPKGY-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[C@@H]([NH+](CC)CC)CCN1 307768301 572791730 /nfs/dbraw/zinc/79/17/30/572791730.db2.gz JWIOATRIMKPKGY-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[C@@H](N(CC)CC)CC[NH2+]1 307768301 572791733 /nfs/dbraw/zinc/79/17/33/572791733.db2.gz JWIOATRIMKPKGY-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CNCC[N@H+](CCCCF)C1 308131696 572791757 /nfs/dbraw/zinc/79/17/57/572791757.db2.gz JVRROACBVXQLAK-JTQLQIEISA-N 1 3 188.290 1.277 10 0 ADAEHO C[C@H]1CNCC[N@@H+](CCCCF)C1 308131696 572791760 /nfs/dbraw/zinc/79/17/60/572791760.db2.gz JVRROACBVXQLAK-JTQLQIEISA-N 1 3 188.290 1.277 10 0 ADAEHO CC[C@H]1CC[N@H+](CC)CCN1 49661500 572792314 /nfs/dbraw/zinc/79/23/14/572792314.db2.gz OJZZFYBPDMMRAL-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H]1CC[N@@H+](CC)CCN1 49661500 572792318 /nfs/dbraw/zinc/79/23/18/572792318.db2.gz OJZZFYBPDMMRAL-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H]1CCN(C)CC[C@H](C)[NH2+]1 49663007 572792338 /nfs/dbraw/zinc/79/23/38/572792338.db2.gz OZLRYLUVIFHZSH-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+]1CCN[C@@H](CC)CC1 49661550 572792461 /nfs/dbraw/zinc/79/24/61/572792461.db2.gz OIIWSPMYCMCNIL-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+]1CCN[C@@H](CC)CC1 49661550 572792466 /nfs/dbraw/zinc/79/24/66/572792466.db2.gz OIIWSPMYCMCNIL-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@H](C)[N@H+]1CCN[C@H](CC)CC1 49661365 572793635 /nfs/dbraw/zinc/79/36/35/572793635.db2.gz NRYITMZMGGGUGQ-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CC[N@H+](CC2CC2)CCN1 49660759 572792571 /nfs/dbraw/zinc/79/25/71/572792571.db2.gz ZXVDWRDMDAZJCS-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1CC[N@@H+](CC2CC2)CCN1 49660759 572792576 /nfs/dbraw/zinc/79/25/76/572792576.db2.gz ZXVDWRDMDAZJCS-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCN(C)CC[C@H](C)[NH2+]1 49663013 572792797 /nfs/dbraw/zinc/79/27/97/572792797.db2.gz ZNDJEUBBXJSENU-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H]1CCN(C)CC[C@@H](C)[NH2+]1 49663015 572792804 /nfs/dbraw/zinc/79/28/04/572792804.db2.gz ZNDJEUBBXJSENU-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC(C)[NH+]1CC[C@H](C)N[C@@H](C)CC1 49663043 572792838 /nfs/dbraw/zinc/79/28/38/572792838.db2.gz JVCBCBATZIJPSC-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)N1CC[C@H](C)[NH2+][C@@H](C)CC1 49663043 572792841 /nfs/dbraw/zinc/79/28/41/572792841.db2.gz JVCBCBATZIJPSC-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@@H+]1CCCN[C@@H](C)CC1 49663033 572792874 /nfs/dbraw/zinc/79/28/74/572792874.db2.gz SEIYPWVTKPRFLI-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@H+]1CCCN[C@@H](C)CC1 49663033 572792876 /nfs/dbraw/zinc/79/28/76/572792876.db2.gz SEIYPWVTKPRFLI-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)N1CCC[NH2+][C@@H](C)CC1 49663033 572792879 /nfs/dbraw/zinc/79/28/79/572792879.db2.gz SEIYPWVTKPRFLI-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CC2)C[C@H](C)CN1 49662931 572792915 /nfs/dbraw/zinc/79/29/15/572792915.db2.gz IGTVDPIWKPWZFD-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CC2)C[C@H](C)CN1 49662931 572792917 /nfs/dbraw/zinc/79/29/17/572792917.db2.gz IGTVDPIWKPWZFD-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H]1CC[N@H+]([C@@H](C)CC)CCN1 49661367 572792931 /nfs/dbraw/zinc/79/29/31/572792931.db2.gz NRYITMZMGGGUGQ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CC[N@@H+]([C@@H](C)CC)CCN1 49661367 572792933 /nfs/dbraw/zinc/79/29/33/572792933.db2.gz NRYITMZMGGGUGQ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCN([C@@H](C)CC)CC[NH2+]1 49661367 572792935 /nfs/dbraw/zinc/79/29/35/572792935.db2.gz NRYITMZMGGGUGQ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@](C)([C@@H](C)[NH2+]C)N1CCCC1 85749106 572793023 /nfs/dbraw/zinc/79/30/23/572793023.db2.gz RTMWFGQGNXWFDS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@](C)([C@@H](C)NC)[NH+]1CCCC1 85749106 572793026 /nfs/dbraw/zinc/79/30/26/572793026.db2.gz RTMWFGQGNXWFDS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](C)N[C@H](C)CC1 49663041 572793034 /nfs/dbraw/zinc/79/30/34/572793034.db2.gz JVCBCBATZIJPSC-PHIMTYICSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](C)N[C@H](C)CC1 49663041 572793037 /nfs/dbraw/zinc/79/30/37/572793037.db2.gz JVCBCBATZIJPSC-PHIMTYICSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)N1CC[C@H](C)[NH2+][C@H](C)CC1 49663041 572793043 /nfs/dbraw/zinc/79/30/43/572793043.db2.gz JVCBCBATZIJPSC-PHIMTYICSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@@H+]1CCCNC[C@@H](C)C1 49663049 572793078 /nfs/dbraw/zinc/79/30/78/572793078.db2.gz PHOORGFFEKEKOB-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[N@H+]1CCCNC[C@@H](C)C1 49663049 572793082 /nfs/dbraw/zinc/79/30/82/572793082.db2.gz PHOORGFFEKEKOB-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@@H](C)[NH+]1CCCNCCC1 49662776 572793135 /nfs/dbraw/zinc/79/31/35/572793135.db2.gz UNAPIOKRSFBBOM-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](C(C)(C)C)C1 49662963 572793148 /nfs/dbraw/zinc/79/31/48/572793148.db2.gz HXNVQSZYHFHMBD-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](C(C)(C)C)C1 49662963 572793152 /nfs/dbraw/zinc/79/31/52/572793152.db2.gz HXNVQSZYHFHMBD-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1C[NH2+]CCN(CC2CCCC2)C1 49661944 572793292 /nfs/dbraw/zinc/79/32/92/572793292.db2.gz VHIOKBNPTVMKKD-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)[NH+]1CC[C@@H](C)N[C@H](C)CC1 49663044 572793422 /nfs/dbraw/zinc/79/34/22/572793422.db2.gz JVCBCBATZIJPSC-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)N1CC[C@@H](C)[NH2+][C@H](C)CC1 49663044 572793424 /nfs/dbraw/zinc/79/34/24/572793424.db2.gz JVCBCBATZIJPSC-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@](C)([C@@H](C)[NH2+]C)N1CCCC1 85749109 572793472 /nfs/dbraw/zinc/79/34/72/572793472.db2.gz RTMWFGQGNXWFDS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@](C)([C@@H](C)NC)[NH+]1CCCC1 85749109 572793475 /nfs/dbraw/zinc/79/34/75/572793475.db2.gz RTMWFGQGNXWFDS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@H]1CCC1(C)C 308128596 572793587 /nfs/dbraw/zinc/79/35/87/572793587.db2.gz CHIOJMRFCZNIED-UWVGGRQHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCN[C@H](CC)CC1 49661365 572793632 /nfs/dbraw/zinc/79/36/32/572793632.db2.gz NRYITMZMGGGUGQ-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)N1CC[NH2+][C@H](CC)CC1 49661365 572793638 /nfs/dbraw/zinc/79/36/38/572793638.db2.gz NRYITMZMGGGUGQ-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO C1CNCCC[NH+](CC2CC2)C1 49662940 572794106 /nfs/dbraw/zinc/79/41/06/572794106.db2.gz KRHGFCXQUSJVRQ-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C1C[NH2+]CCCN(CC2CC2)C1 49662940 572794108 /nfs/dbraw/zinc/79/41/08/572794108.db2.gz KRHGFCXQUSJVRQ-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+](CC2CC2)C1 49662936 572794255 /nfs/dbraw/zinc/79/42/55/572794255.db2.gz CYLDQPFAJGZCAE-PHIMTYICSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+](CC2CC2)C1 49662936 572794261 /nfs/dbraw/zinc/79/42/61/572794261.db2.gz CYLDQPFAJGZCAE-PHIMTYICSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC[N@@H+]1CCN[C@H](CC)CC1 49661552 572794334 /nfs/dbraw/zinc/79/43/34/572794334.db2.gz OIIWSPMYCMCNIL-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+]1CCN[C@H](CC)CC1 49661552 572794339 /nfs/dbraw/zinc/79/43/39/572794339.db2.gz OIIWSPMYCMCNIL-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](C)NC[C@@H](C)C1 49663048 572794542 /nfs/dbraw/zinc/79/45/42/572794542.db2.gz CWUPOZZRUCIXNE-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](C)NC[C@@H](C)C1 49663048 572794545 /nfs/dbraw/zinc/79/45/45/572794545.db2.gz CWUPOZZRUCIXNE-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H]1CCN(C)C[C@H](C)C[NH2+]1 49663009 572794561 /nfs/dbraw/zinc/79/45/61/572794561.db2.gz NHBDWXMCXNLWOX-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[NH+]1C[C@@H](C)CNC[C@H](C)C1 49663054 572794662 /nfs/dbraw/zinc/79/46/62/572794662.db2.gz OIBAMSXGGIGUHE-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@@H]1CCC1(C)C 308128597 572794756 /nfs/dbraw/zinc/79/47/56/572794756.db2.gz CHIOJMRFCZNIED-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[NH+]1C[C@H](C)CNC[C@@H](C)C1 49663056 572794818 /nfs/dbraw/zinc/79/48/18/572794818.db2.gz OIBAMSXGGIGUHE-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@@](C)([C@H](C)[NH2+]C)N1CCCC1 85749111 572794968 /nfs/dbraw/zinc/79/49/68/572794968.db2.gz RTMWFGQGNXWFDS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@](C)([C@H](C)NC)[NH+]1CCCC1 85749111 572794973 /nfs/dbraw/zinc/79/49/73/572794973.db2.gz RTMWFGQGNXWFDS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1C[NH2+]CCN(CC2CCCC2)C1 49661943 572795041 /nfs/dbraw/zinc/79/50/41/572795041.db2.gz VHIOKBNPTVMKKD-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[C@@H]1CC[N@H+](CC2CC2)CCCN1 49662912 572795062 /nfs/dbraw/zinc/79/50/62/572795062.db2.gz CRBYASQLPMABIB-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CC2CC2)CCCN1 49662912 572795065 /nfs/dbraw/zinc/79/50/65/572795065.db2.gz CRBYASQLPMABIB-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)N1CC[NH2+][C@H](C)CC1 49660810 572795474 /nfs/dbraw/zinc/79/54/74/572795474.db2.gz MUPXRVOFBIRNGQ-SECBINFHSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H]1CC[N@H+](CC2CC2)CCCN1 49662915 572795446 /nfs/dbraw/zinc/79/54/46/572795446.db2.gz RRHCYTPYOUDIFD-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC2CC2)CCCN1 49662915 572795449 /nfs/dbraw/zinc/79/54/49/572795449.db2.gz RRHCYTPYOUDIFD-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[C@@H]([NH3+])CN[C@H]1CCC1(C)C 308128598 572795541 /nfs/dbraw/zinc/79/55/41/572795541.db2.gz CHIOJMRFCZNIED-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+](C(C)(C)C)C1 49662966 572795557 /nfs/dbraw/zinc/79/55/57/572795557.db2.gz BAFINPRJNFAVDM-PHIMTYICSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+](C(C)(C)C)C1 49662966 572795559 /nfs/dbraw/zinc/79/55/59/572795559.db2.gz BAFINPRJNFAVDM-PHIMTYICSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@](C)([C@H](C)[NH2+]C)N1CCCC1 85749112 572795574 /nfs/dbraw/zinc/79/55/74/572795574.db2.gz RTMWFGQGNXWFDS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@](C)([C@H](C)NC)[NH+]1CCCC1 85749112 572795579 /nfs/dbraw/zinc/79/55/79/572795579.db2.gz RTMWFGQGNXWFDS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CCCNC[C@@H](C)C1 49662768 572795595 /nfs/dbraw/zinc/79/55/95/572795595.db2.gz LGZGKWJJOAWIFL-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CCCNC[C@@H](C)C1 49662768 572795597 /nfs/dbraw/zinc/79/55/97/572795597.db2.gz LGZGKWJJOAWIFL-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CC[N@@H+](C(C)(C)C)CCCN1 49662945 572795641 /nfs/dbraw/zinc/79/56/41/572795641.db2.gz UXZVZGOLQSHNDA-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+](C(C)(C)C)CCCN1 49662945 572795644 /nfs/dbraw/zinc/79/56/44/572795644.db2.gz UXZVZGOLQSHNDA-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CNC[C@H](C)C[NH+](C(C)(C)C)C1 49662968 572795735 /nfs/dbraw/zinc/79/57/35/572795735.db2.gz BAFINPRJNFAVDM-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCN[C@@H]1C 307937078 572795830 /nfs/dbraw/zinc/79/58/30/572795830.db2.gz ABQCFWUOCZPJRS-AEJSXWLSSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C(C)C)CCN1 49660803 572795924 /nfs/dbraw/zinc/79/59/24/572795924.db2.gz WHTAZGDEZZADOQ-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+](C(C)C)CCN1 49660803 572795929 /nfs/dbraw/zinc/79/59/29/572795929.db2.gz WHTAZGDEZZADOQ-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1CCN(C)CC[C@H](C)[NH2+]1 49663005 572795889 /nfs/dbraw/zinc/79/58/89/572795889.db2.gz OZLRYLUVIFHZSH-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]CCN(C2CCCC2)C1 49661532 572795955 /nfs/dbraw/zinc/79/59/55/572795955.db2.gz GEFPBYXHMVYTKT-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CCOC(C)(C)CN[C@H](C)[C@@H](C)[NH3+] 308132555 572801859 /nfs/dbraw/zinc/80/18/59/572801859.db2.gz KONZMGXBONDDPQ-RKDXNWHRSA-N 1 3 188.315 1.127 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 49663046 572796165 /nfs/dbraw/zinc/79/61/65/572796165.db2.gz CWUPOZZRUCIXNE-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 49663046 572796167 /nfs/dbraw/zinc/79/61/67/572796167.db2.gz CWUPOZZRUCIXNE-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](CC2CC2)C1 49662933 572796214 /nfs/dbraw/zinc/79/62/14/572796214.db2.gz MNYOKMOGYFNJAO-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@@H]1CC[N@H+](CC)CCN1 49661498 572796242 /nfs/dbraw/zinc/79/62/42/572796242.db2.gz OJZZFYBPDMMRAL-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CC)CCN1 49661498 572796243 /nfs/dbraw/zinc/79/62/43/572796243.db2.gz OJZZFYBPDMMRAL-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO C[C@@H]1CC[NH+](CC2CC2)CC[C@@H](C)N1 49662929 572796315 /nfs/dbraw/zinc/79/63/15/572796315.db2.gz WKQMRJPJWYQVQR-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CCN(C(C)C)CCC[NH2+]1 49663028 572796361 /nfs/dbraw/zinc/79/63/61/572796361.db2.gz LHZCKVMCZFNXJD-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CCCNC[C@H](C)C1 49662769 572796418 /nfs/dbraw/zinc/79/64/18/572796418.db2.gz LGZGKWJJOAWIFL-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CCCNC[C@H](C)C1 49662769 572796421 /nfs/dbraw/zinc/79/64/21/572796421.db2.gz LGZGKWJJOAWIFL-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[N@@H+]1CCCNC[C@H](C)C1 49663051 572796553 /nfs/dbraw/zinc/79/65/53/572796553.db2.gz PHOORGFFEKEKOB-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[N@H+]1CCCNC[C@H](C)C1 49663051 572796555 /nfs/dbraw/zinc/79/65/55/572796555.db2.gz PHOORGFFEKEKOB-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@H]1C[NH2+]CCN([C@@H](C)C2CC2)C1 49661995 572796649 /nfs/dbraw/zinc/79/66/49/572796649.db2.gz KYMJCGLCVCZEHH-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[N@@H+]1CCCN[C@H](C)CC1 49663031 572796793 /nfs/dbraw/zinc/79/67/93/572796793.db2.gz SEIYPWVTKPRFLI-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@H+]1CCCN[C@H](C)CC1 49663031 572796795 /nfs/dbraw/zinc/79/67/95/572796795.db2.gz SEIYPWVTKPRFLI-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)N1CCC[NH2+][C@H](C)CC1 49663031 572796798 /nfs/dbraw/zinc/79/67/98/572796798.db2.gz SEIYPWVTKPRFLI-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@H+](CC2CC2)C1 49662930 572796828 /nfs/dbraw/zinc/79/68/28/572796828.db2.gz IGTVDPIWKPWZFD-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@@H+](CC2CC2)C1 49662930 572796831 /nfs/dbraw/zinc/79/68/31/572796831.db2.gz IGTVDPIWKPWZFD-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](C(C)(C)C)C1 49662965 572797111 /nfs/dbraw/zinc/79/71/11/572797111.db2.gz HXNVQSZYHFHMBD-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@H+](C(C)(C)C)C1 49662965 572797115 /nfs/dbraw/zinc/79/71/15/572797115.db2.gz HXNVQSZYHFHMBD-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CC[NH+](CC2CC2)CC[C@H](C)N1 49662927 572797188 /nfs/dbraw/zinc/79/71/88/572797188.db2.gz WKQMRJPJWYQVQR-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO [NH3+]CC1(NCCCC2CC2)CC1 236228408 572797204 /nfs/dbraw/zinc/79/72/04/572797204.db2.gz PFGSDMRTOPLLCP-UHFFFAOYSA-N 1 3 168.284 1.258 10 0 ADAEHO CC[C@H]1CCN(CC2CC2)CCC[NH2+]1 49662914 572797232 /nfs/dbraw/zinc/79/72/32/572797232.db2.gz CRBYASQLPMABIB-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@H+](CC2CC2)CCCN1 49662914 572797236 /nfs/dbraw/zinc/79/72/36/572797236.db2.gz CRBYASQLPMABIB-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@@H+](CC2CC2)CCCN1 49662914 572797240 /nfs/dbraw/zinc/79/72/40/572797240.db2.gz CRBYASQLPMABIB-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CNCCC[N@H+](CC2CC2)C1 49662934 572797253 /nfs/dbraw/zinc/79/72/53/572797253.db2.gz MNYOKMOGYFNJAO-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](CC2CC2)C1 49662934 572797260 /nfs/dbraw/zinc/79/72/60/572797260.db2.gz MNYOKMOGYFNJAO-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO CC(C)N1CC[NH2+][C@@H](C)CC1 49660812 572797328 /nfs/dbraw/zinc/79/73/28/572797328.db2.gz MUPXRVOFBIRNGQ-VIFPVBQESA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@H]1CCN(C(C)C)CCC[NH2+]1 49663030 572797351 /nfs/dbraw/zinc/79/73/51/572797351.db2.gz LHZCKVMCZFNXJD-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CC[N@@H+](C(C)C)CCN1 49660805 572797390 /nfs/dbraw/zinc/79/73/90/572797390.db2.gz WHTAZGDEZZADOQ-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H]1CC[N@H+](C(C)C)CCN1 49660805 572797392 /nfs/dbraw/zinc/79/73/92/572797392.db2.gz WHTAZGDEZZADOQ-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[C@H](C)[NH+]1CCCNCCC1 49662778 572797509 /nfs/dbraw/zinc/79/75/09/572797509.db2.gz UNAPIOKRSFBBOM-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCN[C@@H]1C 307937080 572797986 /nfs/dbraw/zinc/79/79/86/572797986.db2.gz ABQCFWUOCZPJRS-IVZWLZJFSA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@H]1CCN(C)CC[C@@H](C)[NH2+]1 49663012 572797586 /nfs/dbraw/zinc/79/75/86/572797586.db2.gz ZNDJEUBBXJSENU-DTORHVGOSA-N 1 3 156.273 1.079 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCN[C@H]1C 307937079 572797991 /nfs/dbraw/zinc/79/79/91/572797991.db2.gz ABQCFWUOCZPJRS-GUBZILKMSA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@H]1C[NH2+]CCN(C2CCCC2)C1 49661534 572797662 /nfs/dbraw/zinc/79/76/62/572797662.db2.gz GEFPBYXHMVYTKT-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C1(CNC2(C)CCC2)CCC1 308132185 572798008 /nfs/dbraw/zinc/79/80/08/572798008.db2.gz KGWQVXKHACEUMJ-UHFFFAOYSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CC2)CCCN1 49662917 572797740 /nfs/dbraw/zinc/79/77/40/572797740.db2.gz RRHCYTPYOUDIFD-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CC2)CCCN1 49662917 572797742 /nfs/dbraw/zinc/79/77/42/572797742.db2.gz RRHCYTPYOUDIFD-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49708098 572799933 /nfs/dbraw/zinc/79/99/33/572799933.db2.gz WREQHRONXPLSGV-DCAQKATOSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H]1C[NH2+][C@H](C)CCN(C2CC2)C1 49664834 572798252 /nfs/dbraw/zinc/79/82/52/572798252.db2.gz HGVUNRKFPPEZPZ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CCN(C2CC2)C[C@H](C)C[NH2+]1 49664827 572798500 /nfs/dbraw/zinc/79/85/00/572798500.db2.gz XQDBAXIHDDFULA-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C(C)(C)C 49694131 572798558 /nfs/dbraw/zinc/79/85/58/572798558.db2.gz UQRODBFASABLBJ-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C(C)(C)C 49694131 572798561 /nfs/dbraw/zinc/79/85/61/572798561.db2.gz UQRODBFASABLBJ-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1C(C)(C)C 49694131 572798566 /nfs/dbraw/zinc/79/85/66/572798566.db2.gz UQRODBFASABLBJ-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@H](N)C[C@@H]1C 49708098 572799936 /nfs/dbraw/zinc/79/99/36/572799936.db2.gz WREQHRONXPLSGV-DCAQKATOSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)C[N@@H+]1CCCNC[C@@H](C)C1 49664863 572798650 /nfs/dbraw/zinc/79/86/50/572798650.db2.gz MSPRBFZNFRIDGX-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)C[N@H+]1CCCNC[C@@H](C)C1 49664863 572798651 /nfs/dbraw/zinc/79/86/51/572798651.db2.gz MSPRBFZNFRIDGX-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO CN1CCC[NH2+][C@@H]2CCCC[C@H]2C1 250416632 572798656 /nfs/dbraw/zinc/79/86/56/572798656.db2.gz YCLARTYBIVFRBI-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H](C)[NH+]1CCCNCCC1 49664389 572798695 /nfs/dbraw/zinc/79/86/95/572798695.db2.gz SCPLVIMGHYFOQY-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 49694194 572798712 /nfs/dbraw/zinc/79/87/12/572798712.db2.gz ADQWDHVYHBWYEQ-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](N)C[C@@H]1C 49694194 572798720 /nfs/dbraw/zinc/79/87/20/572798720.db2.gz ADQWDHVYHBWYEQ-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])C[C@@H]1C 49694194 572798723 /nfs/dbraw/zinc/79/87/23/572798723.db2.gz ADQWDHVYHBWYEQ-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)C[N@@H+]1CCCNC[C@H](C)C1 49664865 572798741 /nfs/dbraw/zinc/79/87/41/572798741.db2.gz MSPRBFZNFRIDGX-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)C[N@H+]1CCCNC[C@H](C)C1 49664865 572798745 /nfs/dbraw/zinc/79/87/45/572798745.db2.gz MSPRBFZNFRIDGX-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)C[NH+]1C[C@@H](C)CNC[C@H](C)C1 49664869 572798748 /nfs/dbraw/zinc/79/87/48/572798748.db2.gz KWIJRLJMOZPIOP-RYUDHWBXSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(C2CC2)C1 49664842 572798757 /nfs/dbraw/zinc/79/87/57/572798757.db2.gz WYCNFCIMBBZYSC-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)[C@H](C)C1 49708528 572798770 /nfs/dbraw/zinc/79/87/70/572798770.db2.gz OMQUEIYVGGIWGW-VWYCJHECSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H]1CCN(C2CC2)CCC[NH2+]1 49664817 572798791 /nfs/dbraw/zinc/79/87/91/572798791.db2.gz JZDKRLHMLSFZIH-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H](C)[NH+]1C[C@@H](C)CNC[C@H](C)C1 49664388 572798800 /nfs/dbraw/zinc/79/88/00/572798800.db2.gz NVCDLNOXJNXHED-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49708086 572798828 /nfs/dbraw/zinc/79/88/28/572798828.db2.gz SMXNAMYYQTXJDA-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 49708086 572798831 /nfs/dbraw/zinc/79/88/31/572798831.db2.gz SMXNAMYYQTXJDA-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 49708086 572798834 /nfs/dbraw/zinc/79/88/34/572798834.db2.gz SMXNAMYYQTXJDA-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](C1CC1)[NH+]1CCCNCCC1 49666179 572798883 /nfs/dbraw/zinc/79/88/83/572798883.db2.gz FOICOIYKMATKCV-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)C[C@@H]1C 49708542 572798925 /nfs/dbraw/zinc/79/89/25/572798925.db2.gz YBESTTGSXUUQMK-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)C[C@@H]1C 49708542 572798928 /nfs/dbraw/zinc/79/89/28/572798928.db2.gz YBESTTGSXUUQMK-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)C[C@@H]1C 49708542 572798931 /nfs/dbraw/zinc/79/89/31/572798931.db2.gz YBESTTGSXUUQMK-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CN1CCC[NH2+][C@H]2CCCC[C@H]2C1 250416630 572798932 /nfs/dbraw/zinc/79/89/32/572798932.db2.gz YCLARTYBIVFRBI-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[NH+]1CCCNCCC1 49664975 572798956 /nfs/dbraw/zinc/79/89/56/572798956.db2.gz MINWWQQJAMDYTC-UHFFFAOYSA-N 1 3 156.273 1.082 10 0 ADAEHO CCCN1CCC[NH2+]CCC1 49664975 572798960 /nfs/dbraw/zinc/79/89/60/572798960.db2.gz MINWWQQJAMDYTC-UHFFFAOYSA-N 1 3 156.273 1.082 10 0 ADAEHO CCC[N@@H+]1CCCNC[C@@H](C)C1 49664968 572798967 /nfs/dbraw/zinc/79/89/67/572798967.db2.gz SUEGZZUWMCHDFD-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CCC[N@H+]1CCCNC[C@@H](C)C1 49664968 572798971 /nfs/dbraw/zinc/79/89/71/572798971.db2.gz SUEGZZUWMCHDFD-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CCCC[N@@H+]1CCCN[C@@H](C)CC1 49663224 572799022 /nfs/dbraw/zinc/79/90/22/572799022.db2.gz XXXXGEURSNKPTD-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+]1CCCN[C@@H](C)CC1 49663224 572799026 /nfs/dbraw/zinc/79/90/26/572799026.db2.gz XXXXGEURSNKPTD-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC(CC)[NH+]1CCCNCCC1 49664943 572799100 /nfs/dbraw/zinc/79/91/00/572799100.db2.gz HJKDXQREDBAQCN-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@H]1C[N@@H+](C(C)(C)C)CC[C@@H]1N 49694120 572799122 /nfs/dbraw/zinc/79/91/22/572799122.db2.gz IMKOHHJXKFYSBR-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1C[N@H+](C(C)(C)C)CC[C@@H]1N 49694120 572799124 /nfs/dbraw/zinc/79/91/24/572799124.db2.gz IMKOHHJXKFYSBR-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CN(C(C)(C)C)CC[C@@H]1[NH3+] 49694120 572799131 /nfs/dbraw/zinc/79/91/31/572799131.db2.gz IMKOHHJXKFYSBR-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCC[NH+]1C[C@H](C)CNC[C@@H](C)C1 49663247 572799142 /nfs/dbraw/zinc/79/91/42/572799142.db2.gz KOVFMMQGAPLXLF-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCN[C@H](C)CC1 49664359 572799208 /nfs/dbraw/zinc/79/92/08/572799208.db2.gz AZSCMHNRMMYEIE-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCN[C@H](C)CC1 49664359 572799214 /nfs/dbraw/zinc/79/92/14/572799214.db2.gz AZSCMHNRMMYEIE-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)C[N@@H+]1CCCN[C@H](C)CC1 49664846 572799232 /nfs/dbraw/zinc/79/92/32/572799232.db2.gz IEEBIFYBJAWNHX-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@H+]1CCCN[C@H](C)CC1 49664846 572799237 /nfs/dbraw/zinc/79/92/37/572799237.db2.gz IEEBIFYBJAWNHX-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[NH+]1CC[C@@H](C)N[C@H](C)CC1 49664960 572799304 /nfs/dbraw/zinc/79/93/04/572799304.db2.gz DIHALCXIIIZYNQ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@@H](C)[NH2+][C@H](C)CC1 49664960 572799310 /nfs/dbraw/zinc/79/93/10/572799310.db2.gz DIHALCXIIIZYNQ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](CC(C)(C)C)C1 49667091 572799333 /nfs/dbraw/zinc/79/93/33/572799333.db2.gz NVKSWFQGCLTZEJ-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](CC(C)(C)C)C1 49667091 572799338 /nfs/dbraw/zinc/79/93/38/572799338.db2.gz NVKSWFQGCLTZEJ-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](C)CN(C2CC2)C1 49664841 572799398 /nfs/dbraw/zinc/79/93/98/572799398.db2.gz WYCNFCIMBBZYSC-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H]1CCN(CC)C[C@H](C)C[NH2+]1 49664799 572799420 /nfs/dbraw/zinc/79/94/20/572799420.db2.gz DBLOOTDCWCQFED-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](N)C[C@H]1C 49694193 572799541 /nfs/dbraw/zinc/79/95/41/572799541.db2.gz ADQWDHVYHBWYEQ-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](N)C[C@H]1C 49694193 572799545 /nfs/dbraw/zinc/79/95/45/572799545.db2.gz ADQWDHVYHBWYEQ-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])C[C@H]1C 49694193 572799552 /nfs/dbraw/zinc/79/95/52/572799552.db2.gz ADQWDHVYHBWYEQ-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)C[N@@H+]1CCCN[C@@H](C)CC1 49664847 572799566 /nfs/dbraw/zinc/79/95/66/572799566.db2.gz IEEBIFYBJAWNHX-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@H+]1CCCN[C@@H](C)CC1 49664847 572799570 /nfs/dbraw/zinc/79/95/70/572799570.db2.gz IEEBIFYBJAWNHX-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[NH+]1C[C@H](C)CNC[C@@H](C)C1 49664870 572799578 /nfs/dbraw/zinc/79/95/78/572799578.db2.gz KWIJRLJMOZPIOP-VXGBXAGGSA-N 1 3 198.354 1.820 10 0 ADAEHO C/C=C\CC[NH2+]C1CCNCC1 307937807 572799596 /nfs/dbraw/zinc/79/95/96/572799596.db2.gz WDJGKKOEXQFWBT-IHWYPQMZSA-N 1 3 168.284 1.294 10 0 ADAEHO CC[C@H]1CCN(CC)CCC[NH2+]1 49664790 572799641 /nfs/dbraw/zinc/79/96/41/572799641.db2.gz SHIDYJVRKHPMHT-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@H](C)[NH+]1CCCNCCC1 49664391 572799653 /nfs/dbraw/zinc/79/96/53/572799653.db2.gz SCPLVIMGHYFOQY-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCNC[C@H](C)C1 49664379 572799772 /nfs/dbraw/zinc/79/97/72/572799772.db2.gz VXAGDKXSIARYSP-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[NH+]1C[C@@H](C)CNC[C@H](C)C1 49663245 572799679 /nfs/dbraw/zinc/79/96/79/572799679.db2.gz KOVFMMQGAPLXLF-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCNC[C@H](C)C1 49664379 572799774 /nfs/dbraw/zinc/79/97/74/572799774.db2.gz VXAGDKXSIARYSP-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CC[NH+]1CCCNCCC1 49663278 572799721 /nfs/dbraw/zinc/79/97/21/572799721.db2.gz QHYCAQZQRKYQIC-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)CCN1CCC[NH2+]CCC1 49663278 572799725 /nfs/dbraw/zinc/79/97/25/572799725.db2.gz QHYCAQZQRKYQIC-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCCC[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49663243 572799739 /nfs/dbraw/zinc/79/97/39/572799739.db2.gz KOVFMMQGAPLXLF-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49663243 572799742 /nfs/dbraw/zinc/79/97/42/572799742.db2.gz KOVFMMQGAPLXLF-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C 49708098 572799940 /nfs/dbraw/zinc/79/99/40/572799940.db2.gz WREQHRONXPLSGV-DCAQKATOSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[N@@H+]1CCCN[C@H](C)CC1 49664948 572799999 /nfs/dbraw/zinc/79/99/99/572799999.db2.gz DVCIBXOAEPUHDU-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+]1CCCN[C@H](C)CC1 49664948 572800002 /nfs/dbraw/zinc/80/00/02/572800002.db2.gz DVCIBXOAEPUHDU-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCCN1CCC[NH2+][C@H](C)CC1 49664948 572800005 /nfs/dbraw/zinc/80/00/05/572800005.db2.gz DVCIBXOAEPUHDU-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@@H]1CCN(CC)CC[C@H](C)[NH2+]1 49664795 572800044 /nfs/dbraw/zinc/80/00/44/572800044.db2.gz RJNOJMHTBDQAAV-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C(C)(C)C 49694132 572800091 /nfs/dbraw/zinc/80/00/91/572800091.db2.gz UQRODBFASABLBJ-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C(C)(C)C 49694132 572800094 /nfs/dbraw/zinc/80/00/94/572800094.db2.gz UQRODBFASABLBJ-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C(C)(C)C 49694132 572800098 /nfs/dbraw/zinc/80/00/98/572800098.db2.gz UQRODBFASABLBJ-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](C)NC[C@H](C)C1 49664964 572800134 /nfs/dbraw/zinc/80/01/34/572800134.db2.gz BSMDHDBHJYCCFS-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1CC[C@@H](C)NC[C@H](C)C1 49664964 572800139 /nfs/dbraw/zinc/80/01/39/572800139.db2.gz BSMDHDBHJYCCFS-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CCN(C2CC2)CCC[NH2+]1 49664822 572800238 /nfs/dbraw/zinc/80/02/38/572800238.db2.gz SOHLASVGUKCMMW-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](C)CN(C2CC2)C1 49664840 572800341 /nfs/dbraw/zinc/80/03/41/572800341.db2.gz WYCNFCIMBBZYSC-AOOOYVTPSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@@H+](C(C)(C)C)CC[C@@H]1N 49694119 572800357 /nfs/dbraw/zinc/80/03/57/572800357.db2.gz IMKOHHJXKFYSBR-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1C[N@H+](C(C)(C)C)CC[C@@H]1N 49694119 572800363 /nfs/dbraw/zinc/80/03/63/572800363.db2.gz IMKOHHJXKFYSBR-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CN(C(C)(C)C)CC[C@@H]1[NH3+] 49694119 572800368 /nfs/dbraw/zinc/80/03/68/572800368.db2.gz IMKOHHJXKFYSBR-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1CCN(CC)C[C@H](C)C[NH2+]1 49664798 572800442 /nfs/dbraw/zinc/80/04/42/572800442.db2.gz DBLOOTDCWCQFED-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CCN(C2CC2)CC[C@H](C)[NH2+]1 49664832 572800532 /nfs/dbraw/zinc/80/05/32/572800532.db2.gz SCAYYRVUVSQKPM-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO CCCC[NH+]1CCCNCCC1 49663249 572800549 /nfs/dbraw/zinc/80/05/49/572800549.db2.gz GNTZXPVHJBBQLK-UHFFFAOYSA-N 1 3 170.300 1.472 10 0 ADAEHO CCCCN1CCC[NH2+]CCC1 49663249 572800554 /nfs/dbraw/zinc/80/05/54/572800554.db2.gz GNTZXPVHJBBQLK-UHFFFAOYSA-N 1 3 170.300 1.472 10 0 ADAEHO C[C@H]1CNCCC[N@H+](CC2CCC2)C1 49665870 572800758 /nfs/dbraw/zinc/80/07/58/572800758.db2.gz BGBBOVYQJYZWBU-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](CC2CCC2)C1 49665870 572800762 /nfs/dbraw/zinc/80/07/62/572800762.db2.gz BGBBOVYQJYZWBU-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1CCN(C2CC2)CCC[NH2+]1 49664820 572800843 /nfs/dbraw/zinc/80/08/43/572800843.db2.gz SOHLASVGUKCMMW-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](N)C[C@H]1C 49694195 572800854 /nfs/dbraw/zinc/80/08/54/572800854.db2.gz ADQWDHVYHBWYEQ-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](N)C[C@H]1C 49694195 572800856 /nfs/dbraw/zinc/80/08/56/572800856.db2.gz ADQWDHVYHBWYEQ-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])C[C@H]1C 49694195 572800858 /nfs/dbraw/zinc/80/08/58/572800858.db2.gz ADQWDHVYHBWYEQ-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CCC[N@@H+]1CC[C@H](C)N[C@H](C)CC1 49664959 572800897 /nfs/dbraw/zinc/80/08/97/572800897.db2.gz DIHALCXIIIZYNQ-PHIMTYICSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+]1CC[C@H](C)N[C@H](C)CC1 49664959 572800898 /nfs/dbraw/zinc/80/08/98/572800898.db2.gz DIHALCXIIIZYNQ-PHIMTYICSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@H](C)[NH2+][C@H](C)CC1 49664959 572800900 /nfs/dbraw/zinc/80/09/00/572800900.db2.gz DIHALCXIIIZYNQ-PHIMTYICSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCNC[C@H](C)C1 49664380 572800906 /nfs/dbraw/zinc/80/09/06/572800906.db2.gz VXAGDKXSIARYSP-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCNC[C@H](C)C1 49664380 572800908 /nfs/dbraw/zinc/80/09/08/572800908.db2.gz VXAGDKXSIARYSP-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[N@@H+]1CCCN[C@H](C)CC1 49663223 572800934 /nfs/dbraw/zinc/80/09/34/572800934.db2.gz XXXXGEURSNKPTD-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+]1CCCN[C@H](C)CC1 49663223 572800938 /nfs/dbraw/zinc/80/09/38/572800938.db2.gz XXXXGEURSNKPTD-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCN[C@H](C)CC1 49664357 572800997 /nfs/dbraw/zinc/80/09/97/572800997.db2.gz AZSCMHNRMMYEIE-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCN[C@H](C)CC1 49664357 572800999 /nfs/dbraw/zinc/80/09/99/572800999.db2.gz AZSCMHNRMMYEIE-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](C)NC[C@@H](C)C1 49664862 572801016 /nfs/dbraw/zinc/80/10/16/572801016.db2.gz MQUZTCMIVZUWBY-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](C)NC[C@@H](C)C1 49664862 572801019 /nfs/dbraw/zinc/80/10/19/572801019.db2.gz MQUZTCMIVZUWBY-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[NH+]1C[C@H](C)CNC[C@@H](C)C1 49664973 572801101 /nfs/dbraw/zinc/80/11/01/572801101.db2.gz OMIUHGPYCCRTMC-GHMZBOCLSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](C2CCCC2)C1 49664904 572802613 /nfs/dbraw/zinc/80/26/13/572802613.db2.gz OSBUOWYKCUYDAF-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664867 572801253 /nfs/dbraw/zinc/80/12/53/572801253.db2.gz KWIJRLJMOZPIOP-TXEJJXNPSA-N 1 3 198.354 1.820 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664867 572801254 /nfs/dbraw/zinc/80/12/54/572801254.db2.gz KWIJRLJMOZPIOP-TXEJJXNPSA-N 1 3 198.354 1.820 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1CCCCF 308132440 572801273 /nfs/dbraw/zinc/80/12/73/572801273.db2.gz FVCVFZSYOWXBTH-NXEZZACHSA-N 1 3 188.290 1.548 10 0 ADAEHO CCCN1CCC[NH2+][C@@H](CC)CC1 49664947 572802708 /nfs/dbraw/zinc/80/27/08/572802708.db2.gz JLNRZBDVCQAVHF-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1CCCCF 308132445 572801294 /nfs/dbraw/zinc/80/12/94/572801294.db2.gz FVCVFZSYOWXBTH-VHSXEESVSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@@H]1CCN(C2CC2)C[C@H](C)C[NH2+]1 49664825 572801309 /nfs/dbraw/zinc/80/13/09/572801309.db2.gz XQDBAXIHDDFULA-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN(C2CC2)C1 49664837 572801368 /nfs/dbraw/zinc/80/13/68/572801368.db2.gz VXQXOWAPQLEAAT-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCCN1CCC[NH2+][C@H](CC)CC1 49664945 572801515 /nfs/dbraw/zinc/80/15/15/572801515.db2.gz JLNRZBDVCQAVHF-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C(C)(C)C 49694130 572801528 /nfs/dbraw/zinc/80/15/28/572801528.db2.gz UQRODBFASABLBJ-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C(C)(C)C 49694130 572801532 /nfs/dbraw/zinc/80/15/32/572801532.db2.gz UQRODBFASABLBJ-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C(C)(C)C 49694130 572801537 /nfs/dbraw/zinc/80/15/37/572801537.db2.gz UQRODBFASABLBJ-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]1C[NH2+]CCCN(C2CC2)C1 49664838 572801547 /nfs/dbraw/zinc/80/15/47/572801547.db2.gz VXQXOWAPQLEAAT-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO [NH3+]CC1(NCCC2CCC2)CC1 236228009 572801603 /nfs/dbraw/zinc/80/16/03/572801603.db2.gz YCGHXYJZMALAPM-UHFFFAOYSA-N 1 3 168.284 1.258 10 0 ADAEHO C[C@H]1CNCCC[N@H+](CC(C)(C)C)C1 49667092 572801692 /nfs/dbraw/zinc/80/16/92/572801692.db2.gz NVKSWFQGCLTZEJ-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](CC(C)(C)C)C1 49667092 572801695 /nfs/dbraw/zinc/80/16/95/572801695.db2.gz NVKSWFQGCLTZEJ-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664382 572801730 /nfs/dbraw/zinc/80/17/30/572801730.db2.gz NVCDLNOXJNXHED-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664382 572801733 /nfs/dbraw/zinc/80/17/33/572801733.db2.gz NVCDLNOXJNXHED-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO [NH3+]C[C@H]1CCCN(CCCCF)C1 238553382 572801785 /nfs/dbraw/zinc/80/17/85/572801785.db2.gz RWRWSZJAMVTLAU-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO NC[C@H]1CCC[N@H+](CCCCF)C1 238553382 572801787 /nfs/dbraw/zinc/80/17/87/572801787.db2.gz RWRWSZJAMVTLAU-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO NC[C@H]1CCC[N@@H+](CCCCF)C1 238553382 572801790 /nfs/dbraw/zinc/80/17/90/572801790.db2.gz RWRWSZJAMVTLAU-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO CCC(C)(C)[NH+]1CCCNCCC1 49665007 572801792 /nfs/dbraw/zinc/80/17/92/572801792.db2.gz FGQZXUUUSGNEKN-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664969 572801811 /nfs/dbraw/zinc/80/18/11/572801811.db2.gz OMIUHGPYCCRTMC-PHIMTYICSA-N 1 3 184.327 1.574 10 0 ADAEHO CCC[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664969 572801813 /nfs/dbraw/zinc/80/18/13/572801813.db2.gz OMIUHGPYCCRTMC-PHIMTYICSA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)CC[N@@H+]1CCCNC[C@H](C)C1 49663271 572801876 /nfs/dbraw/zinc/80/18/76/572801876.db2.gz WKCZYBRWWMDFIM-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)CC[N@H+]1CCCNC[C@H](C)C1 49663271 572801879 /nfs/dbraw/zinc/80/18/79/572801879.db2.gz WKCZYBRWWMDFIM-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[N@@H+]1CC[C@H](C)NC[C@H](C)C1 49664963 572801897 /nfs/dbraw/zinc/80/18/97/572801897.db2.gz BSMDHDBHJYCCFS-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1CC[C@H](C)NC[C@H](C)C1 49664963 572801899 /nfs/dbraw/zinc/80/18/99/572801899.db2.gz BSMDHDBHJYCCFS-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CCN(C2CC2)CC[C@@H](C)[NH2+]1 49664830 572801906 /nfs/dbraw/zinc/80/19/06/572801906.db2.gz SCAYYRVUVSQKPM-AOOOYVTPSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCN(C2CC2)C[C@H](C)C[NH2+]1 49664835 572801930 /nfs/dbraw/zinc/80/19/30/572801930.db2.gz HGVUNRKFPPEZPZ-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[NH+]1CCCNCCC1 49664876 572801957 /nfs/dbraw/zinc/80/19/57/572801957.db2.gz MYJCDQZVOKQJJS-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC(C)CC[N@@H+]1CCCNC[C@@H](C)C1 49663270 572801980 /nfs/dbraw/zinc/80/19/80/572801980.db2.gz WKCZYBRWWMDFIM-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)CC[N@H+]1CCCNC[C@@H](C)C1 49663270 572801985 /nfs/dbraw/zinc/80/19/85/572801985.db2.gz WKCZYBRWWMDFIM-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C(C)(C)C 49694133 572801997 /nfs/dbraw/zinc/80/19/97/572801997.db2.gz UQRODBFASABLBJ-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C(C)(C)C 49694133 572802000 /nfs/dbraw/zinc/80/20/00/572802000.db2.gz UQRODBFASABLBJ-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1C(C)(C)C 49694133 572802002 /nfs/dbraw/zinc/80/20/02/572802002.db2.gz UQRODBFASABLBJ-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H]1CCN(C2CC2)CCC[NH2+]1 49664818 572802014 /nfs/dbraw/zinc/80/20/14/572802014.db2.gz JZDKRLHMLSFZIH-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](C2CCCC2)C1 49664903 572802029 /nfs/dbraw/zinc/80/20/29/572802029.db2.gz OSBUOWYKCUYDAF-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](C2CCCC2)C1 49664903 572802033 /nfs/dbraw/zinc/80/20/33/572802033.db2.gz OSBUOWYKCUYDAF-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 49664860 572802133 /nfs/dbraw/zinc/80/21/33/572802133.db2.gz MQUZTCMIVZUWBY-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 49664860 572802137 /nfs/dbraw/zinc/80/21/37/572802137.db2.gz MQUZTCMIVZUWBY-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49694196 572802150 /nfs/dbraw/zinc/80/21/50/572802150.db2.gz ADQWDHVYHBWYEQ-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](N)C[C@@H]1C 49694196 572802153 /nfs/dbraw/zinc/80/21/53/572802153.db2.gz ADQWDHVYHBWYEQ-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])C[C@@H]1C 49694196 572802157 /nfs/dbraw/zinc/80/21/57/572802157.db2.gz ADQWDHVYHBWYEQ-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO CCC[NH+]1C[C@@H](C)CNC[C@H](C)C1 49664971 572802194 /nfs/dbraw/zinc/80/21/94/572802194.db2.gz OMIUHGPYCCRTMC-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCC[NH+]1CC[C@H](C)N[C@@H](C)CC1 49664962 572802244 /nfs/dbraw/zinc/80/22/44/572802244.db2.gz DIHALCXIIIZYNQ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN1CC[C@H](C)[NH2+][C@@H](C)CC1 49664962 572802249 /nfs/dbraw/zinc/80/22/49/572802249.db2.gz DIHALCXIIIZYNQ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+]1CCCNC[C@H](C)C1 49663240 572802338 /nfs/dbraw/zinc/80/23/38/572802338.db2.gz XPPDHCPRUFYGHC-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCCC[N@H+]1CCCNC[C@H](C)C1 49663240 572802347 /nfs/dbraw/zinc/80/23/47/572802347.db2.gz XPPDHCPRUFYGHC-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H](C)C2CC2)CCCN1 49666154 572802444 /nfs/dbraw/zinc/80/24/44/572802444.db2.gz ZFNDOWYWIFKARX-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)CCCN1 49666154 572802448 /nfs/dbraw/zinc/80/24/48/572802448.db2.gz ZFNDOWYWIFKARX-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCCF 308132447 572802450 /nfs/dbraw/zinc/80/24/50/572802450.db2.gz FVCVFZSYOWXBTH-ZJUUUORDSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664384 572802468 /nfs/dbraw/zinc/80/24/68/572802468.db2.gz NVCDLNOXJNXHED-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664384 572802472 /nfs/dbraw/zinc/80/24/72/572802472.db2.gz NVCDLNOXJNXHED-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CNCCC[N@H+](C2CCCC2)C1 49664904 572802617 /nfs/dbraw/zinc/80/26/17/572802617.db2.gz OSBUOWYKCUYDAF-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CCN(CC)CCC[NH2+]1 49664789 572802687 /nfs/dbraw/zinc/80/26/87/572802687.db2.gz SHIDYJVRKHPMHT-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCOC(C)(C)CN[C@@H](C)[C@@H](C)[NH3+] 308132552 572802733 /nfs/dbraw/zinc/80/27/33/572802733.db2.gz KONZMGXBONDDPQ-BDAKNGLRSA-N 1 3 188.315 1.127 10 0 ADAEHO C[C@H]1CNCCC[N@@H+]([C@@H](C)C2CC2)C1 49666171 572802742 /nfs/dbraw/zinc/80/27/42/572802742.db2.gz ZUAWXJSJEXMIKR-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@H+]([C@@H](C)C2CC2)C1 49666171 572802745 /nfs/dbraw/zinc/80/27/45/572802745.db2.gz ZUAWXJSJEXMIKR-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCC[N@@H+]1CCCNC[C@@H](C)C1 49663242 572802806 /nfs/dbraw/zinc/80/28/06/572802806.db2.gz XPPDHCPRUFYGHC-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCCC[N@H+]1CCCNC[C@@H](C)C1 49663242 572802811 /nfs/dbraw/zinc/80/28/11/572802811.db2.gz XPPDHCPRUFYGHC-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@H](N)[C@H](C)C1 49709137 572805158 /nfs/dbraw/zinc/80/51/58/572805158.db2.gz XJWVCTBPKQYKTK-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H]1CCN(CC)CC[C@H](C)[NH2+]1 49664796 572802925 /nfs/dbraw/zinc/80/29/25/572802925.db2.gz RJNOJMHTBDQAAV-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+]1CCCNC[C@H](C)C1 49664966 572802942 /nfs/dbraw/zinc/80/29/42/572802942.db2.gz SUEGZZUWMCHDFD-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CCC[N@H+]1CCCNC[C@H](C)C1 49664966 572802946 /nfs/dbraw/zinc/80/29/46/572802946.db2.gz SUEGZZUWMCHDFD-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CC(C)[C@@H]1[C@H](N)C[C@@H](C)[N@@H+](C)[C@@H]1C 257583877 572805822 /nfs/dbraw/zinc/80/58/22/572805822.db2.gz SCGAPVQFBPUZBO-DBIOUOCHSA-N 1 3 184.327 1.698 10 0 ADAEHO CCOC(C)(C)CN[C@H](C)[C@H](C)[NH3+] 308132553 572802984 /nfs/dbraw/zinc/80/29/84/572802984.db2.gz KONZMGXBONDDPQ-DTWKUNHWSA-N 1 3 188.315 1.127 10 0 ADAEHO CCCN1CCC[NH2+][C@@H](C)CC1 49664950 572803086 /nfs/dbraw/zinc/80/30/86/572803086.db2.gz DVCIBXOAEPUHDU-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@@H+]1CCCN[C@@H](C)CC1 49664950 572803077 /nfs/dbraw/zinc/80/30/77/572803077.db2.gz DVCIBXOAEPUHDU-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+]1CCCN[C@@H](C)CC1 49664950 572803083 /nfs/dbraw/zinc/80/30/83/572803083.db2.gz DVCIBXOAEPUHDU-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)[C@H]1[C@H](C)[N@H+](C)[C@@H](C)C[C@H]1N 257583878 572806054 /nfs/dbraw/zinc/80/60/54/572806054.db2.gz SCGAPVQFBPUZBO-MMWGEVLESA-N 1 3 184.327 1.698 10 0 ADAEHO N[C@H](C[NH3+])CCCc1ccc(O)cc1 116595386 572805516 /nfs/dbraw/zinc/80/55/16/572805516.db2.gz RJRCJMSPORQMGQ-JTQLQIEISA-N 1 3 194.278 1.001 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](CC2CCC2)C1 49665869 572803333 /nfs/dbraw/zinc/80/33/33/572803333.db2.gz BGBBOVYQJYZWBU-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](CC2CCC2)C1 49665869 572803339 /nfs/dbraw/zinc/80/33/39/572803339.db2.gz BGBBOVYQJYZWBU-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[N@H+](CC(C)C)[C@H]1CC[C@@H](N)C1 223118166 572803342 /nfs/dbraw/zinc/80/33/42/572803342.db2.gz PVDUBCHJSDZVHP-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@H]1CC[C@@H](N)C1 223118166 572803347 /nfs/dbraw/zinc/80/33/47/572803347.db2.gz PVDUBCHJSDZVHP-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49708539 572803485 /nfs/dbraw/zinc/80/34/85/572803485.db2.gz WMKBLWWHJHZQBU-GUBZILKMSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)C[C@@H]1C 49708539 572803488 /nfs/dbraw/zinc/80/34/88/572803488.db2.gz WMKBLWWHJHZQBU-GUBZILKMSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C 49708539 572803492 /nfs/dbraw/zinc/80/34/92/572803492.db2.gz WMKBLWWHJHZQBU-GUBZILKMSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[C@@H]1[C@H]([NH3+])C[C@@H](C)N(C)[C@@H]1C 257583877 572805827 /nfs/dbraw/zinc/80/58/27/572805827.db2.gz SCGAPVQFBPUZBO-DBIOUOCHSA-N 1 3 184.327 1.698 10 0 ADAEHO CCOC(C)(C)CN[C@@H](C)[C@H](C)[NH3+] 308132554 572803743 /nfs/dbraw/zinc/80/37/43/572803743.db2.gz KONZMGXBONDDPQ-IUCAKERBSA-N 1 3 188.315 1.127 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49710319 572803884 /nfs/dbraw/zinc/80/38/84/572803884.db2.gz BZAZVUFGSOFGTF-DCAQKATOSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)C[C@@H]1C 49710319 572803888 /nfs/dbraw/zinc/80/38/88/572803888.db2.gz BZAZVUFGSOFGTF-DCAQKATOSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H]1C[N@H+](CC(C)(C)C)CC[C@@H]1N 49713166 572804083 /nfs/dbraw/zinc/80/40/83/572804083.db2.gz VOFNCSCKQYGLDX-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[N@@H+](CC(C)(C)C)CC[C@@H]1N 49713166 572804090 /nfs/dbraw/zinc/80/40/90/572804090.db2.gz VOFNCSCKQYGLDX-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CN(CC(C)(C)C)CC[C@@H]1[NH3+] 49713166 572804092 /nfs/dbraw/zinc/80/40/92/572804092.db2.gz VOFNCSCKQYGLDX-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1N 49709166 572804438 /nfs/dbraw/zinc/80/44/38/572804438.db2.gz WJVLROWHAJQXFL-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[N@H+](C2CCCCC2)CC[C@@H]1N 49709166 572804441 /nfs/dbraw/zinc/80/44/41/572804441.db2.gz WJVLROWHAJQXFL-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+](C)C(C)(C)C 49804680 572804472 /nfs/dbraw/zinc/80/44/72/572804472.db2.gz AEJQIDPVQVAPFG-MRVPVSSYSA-N 1 3 158.289 1.454 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)C(C)(C)C 49804680 572804474 /nfs/dbraw/zinc/80/44/74/572804474.db2.gz AEJQIDPVQVAPFG-MRVPVSSYSA-N 1 3 158.289 1.454 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CCCC1 49709060 572804645 /nfs/dbraw/zinc/80/46/45/572804645.db2.gz JDBCWZIEKGTJKE-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CCCC1 49709060 572804649 /nfs/dbraw/zinc/80/46/49/572804649.db2.gz JDBCWZIEKGTJKE-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)[C@H]1[C@H](C)[N@@H+](C)[C@H](C)C[C@H]1N 257583879 572804892 /nfs/dbraw/zinc/80/48/92/572804892.db2.gz SCGAPVQFBPUZBO-YTWAJWBKSA-N 1 3 184.327 1.698 10 0 ADAEHO CC(C)[C@H]1[C@H](C)[N@H+](C)[C@H](C)C[C@H]1N 257583879 572804896 /nfs/dbraw/zinc/80/48/96/572804896.db2.gz SCGAPVQFBPUZBO-YTWAJWBKSA-N 1 3 184.327 1.698 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1CCCC1 49709055 572804900 /nfs/dbraw/zinc/80/49/00/572804900.db2.gz JDBCWZIEKGTJKE-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)[C@H]1[C@H](C)N(C)[C@H](C)C[C@H]1[NH3+] 257583879 572804901 /nfs/dbraw/zinc/80/49/01/572804901.db2.gz SCGAPVQFBPUZBO-YTWAJWBKSA-N 1 3 184.327 1.698 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1CCCC1 49709055 572804904 /nfs/dbraw/zinc/80/49/04/572804904.db2.gz JDBCWZIEKGTJKE-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC(C)(C)C 49713178 572805081 /nfs/dbraw/zinc/80/50/81/572805081.db2.gz WKTWGVBXJOICCF-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1CC(C)(C)C 49713178 572805083 /nfs/dbraw/zinc/80/50/83/572805083.db2.gz WKTWGVBXJOICCF-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1CC(C)(C)C 49713178 572805085 /nfs/dbraw/zinc/80/50/85/572805085.db2.gz WKTWGVBXJOICCF-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1CC(C)(C)C 49713176 572805105 /nfs/dbraw/zinc/80/51/05/572805105.db2.gz WKTWGVBXJOICCF-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1CC(C)(C)C 49713176 572805107 /nfs/dbraw/zinc/80/51/07/572805107.db2.gz WKTWGVBXJOICCF-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1CC(C)(C)C 49713176 572805110 /nfs/dbraw/zinc/80/51/10/572805110.db2.gz WKTWGVBXJOICCF-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@@H]1CC[C@@H](N)C1 223118862 572805122 /nfs/dbraw/zinc/80/51/22/572805122.db2.gz LFTLSAAHJFPQBI-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223118862 572805123 /nfs/dbraw/zinc/80/51/23/572805123.db2.gz LFTLSAAHJFPQBI-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC(C)(C)C 49713177 572805130 /nfs/dbraw/zinc/80/51/30/572805130.db2.gz WKTWGVBXJOICCF-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC(C)(C)C 49713177 572805132 /nfs/dbraw/zinc/80/51/32/572805132.db2.gz WKTWGVBXJOICCF-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CC(C)(C)C 49713177 572805134 /nfs/dbraw/zinc/80/51/34/572805134.db2.gz WKTWGVBXJOICCF-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49709137 572805156 /nfs/dbraw/zinc/80/51/56/572805156.db2.gz XJWVCTBPKQYKTK-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCCC2)CC[C@@H]1N 49709039 572805189 /nfs/dbraw/zinc/80/51/89/572805189.db2.gz ZFQWODGNHWQPMN-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[N@H+](C2CCCC2)CC[C@@H]1N 49709039 572805192 /nfs/dbraw/zinc/80/51/92/572805192.db2.gz ZFQWODGNHWQPMN-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CN(C2CCCC2)CC[C@@H]1[NH3+] 49709039 572805193 /nfs/dbraw/zinc/80/51/93/572805193.db2.gz ZFQWODGNHWQPMN-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 49709138 572805443 /nfs/dbraw/zinc/80/54/43/572805443.db2.gz XJWVCTBPKQYKTK-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@@H](N)[C@H](C)C1 49709138 572805447 /nfs/dbraw/zinc/80/54/47/572805447.db2.gz XJWVCTBPKQYKTK-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@@H]([NH3+])CC1CC1 307941776 572805556 /nfs/dbraw/zinc/80/55/56/572805556.db2.gz CNQFZEOPSAYWBZ-JEZHCXPESA-N 1 3 168.284 1.112 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](N)C[C@H]1C 49710311 572805588 /nfs/dbraw/zinc/80/55/88/572805588.db2.gz BZAZVUFGSOFGTF-OUAUKWLOSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](N)C[C@H]1C 49710311 572805592 /nfs/dbraw/zinc/80/55/92/572805592.db2.gz BZAZVUFGSOFGTF-OUAUKWLOSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCCC2)CC[C@@H]1N 49709038 572805668 /nfs/dbraw/zinc/80/56/68/572805668.db2.gz ZFQWODGNHWQPMN-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCCC2)CC[C@@H]1N 49709038 572805673 /nfs/dbraw/zinc/80/56/73/572805673.db2.gz ZFQWODGNHWQPMN-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C2CCCC2)CC[C@@H]1[NH3+] 49709038 572805677 /nfs/dbraw/zinc/80/56/77/572805677.db2.gz ZFQWODGNHWQPMN-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@@H]1[C@H](N)C[C@@H](C)[N@H+](C)[C@@H]1C 257583877 572805819 /nfs/dbraw/zinc/80/58/19/572805819.db2.gz SCGAPVQFBPUZBO-DBIOUOCHSA-N 1 3 184.327 1.698 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](N)C[C@H]1C 49711031 572805873 /nfs/dbraw/zinc/80/58/73/572805873.db2.gz IDPHWFFDOPQXAX-WCABBAIRSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CC[C@@H](N)C[C@H]1C 49711031 572805876 /nfs/dbraw/zinc/80/58/76/572805876.db2.gz IDPHWFFDOPQXAX-WCABBAIRSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 49710313 572805885 /nfs/dbraw/zinc/80/58/85/572805885.db2.gz BZAZVUFGSOFGTF-GARJFASQSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](N)C[C@@H]1C 49710313 572805889 /nfs/dbraw/zinc/80/58/89/572805889.db2.gz BZAZVUFGSOFGTF-GARJFASQSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H]1[C@H](C)[N@@H+](C)[C@@H](C)C[C@H]1N 257583878 572806051 /nfs/dbraw/zinc/80/60/51/572806051.db2.gz SCGAPVQFBPUZBO-MMWGEVLESA-N 1 3 184.327 1.698 10 0 ADAEHO CC(C)[C@H]1[C@H](C)N(C)[C@@H](C)C[C@H]1[NH3+] 257583878 572806058 /nfs/dbraw/zinc/80/60/58/572806058.db2.gz SCGAPVQFBPUZBO-MMWGEVLESA-N 1 3 184.327 1.698 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@@H]([NH3+])CC1CC1 307941769 572806068 /nfs/dbraw/zinc/80/60/68/572806068.db2.gz CNQFZEOPSAYWBZ-FKTZTGRPSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@@H]1C[N@H+](CC(C)(C)C)CC[C@@H]1N 49713165 572806205 /nfs/dbraw/zinc/80/62/05/572806205.db2.gz VOFNCSCKQYGLDX-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[N@@H+](CC(C)(C)C)CC[C@@H]1N 49713165 572806210 /nfs/dbraw/zinc/80/62/10/572806210.db2.gz VOFNCSCKQYGLDX-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CN(CC(C)(C)C)CC[C@@H]1[NH3+] 49713165 572806216 /nfs/dbraw/zinc/80/62/16/572806216.db2.gz VOFNCSCKQYGLDX-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H]1[C@H](N)C[C@H](C)[N@H+](C)[C@@H]1C 257583880 572806328 /nfs/dbraw/zinc/80/63/28/572806328.db2.gz SCGAPVQFBPUZBO-ZDCRXTMVSA-N 1 3 184.327 1.698 10 0 ADAEHO CC(C)[C@@H]1[C@H](N)C[C@H](C)[N@@H+](C)[C@@H]1C 257583880 572806331 /nfs/dbraw/zinc/80/63/31/572806331.db2.gz SCGAPVQFBPUZBO-ZDCRXTMVSA-N 1 3 184.327 1.698 10 0 ADAEHO CC(C)[C@@H]1[C@H]([NH3+])C[C@H](C)N(C)[C@@H]1C 257583880 572806333 /nfs/dbraw/zinc/80/63/33/572806333.db2.gz SCGAPVQFBPUZBO-ZDCRXTMVSA-N 1 3 184.327 1.698 10 0 ADAEHO C[C@@H]1NCC[C@@H]1[NH2+]C(C)(C)C 196691015 572806526 /nfs/dbraw/zinc/80/65/26/572806526.db2.gz FVUMQXZQPIFOQX-YUMQZZPRSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1NCC[C@@H]1[NH2+]C(C)(C)C 196691008 572806540 /nfs/dbraw/zinc/80/65/40/572806540.db2.gz FVUMQXZQPIFOQX-SFYZADRCSA-N 1 3 156.273 1.125 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@H](N)C[C@@H]1C 49709151 572806770 /nfs/dbraw/zinc/80/67/70/572806770.db2.gz JZWFBGIVMKMLJO-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@H](N)C[C@@H]1C 49709151 572806774 /nfs/dbraw/zinc/80/67/74/572806774.db2.gz JZWFBGIVMKMLJO-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H]1NCC[C@H]1[NH2+]C(C)(C)C 196690993 572806865 /nfs/dbraw/zinc/80/68/65/572806865.db2.gz FVUMQXZQPIFOQX-HTQZYQBOSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CC[C@H](N)[C@H](C)C1 49711008 572806956 /nfs/dbraw/zinc/80/69/56/572806956.db2.gz VHZNXOBGOXDWJA-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CC[C@H](N)[C@H](C)C1 49711008 572806958 /nfs/dbraw/zinc/80/69/58/572806958.db2.gz VHZNXOBGOXDWJA-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H](C1CC1)N1CC[C@H]([NH3+])[C@H](C)C1 49711008 572806960 /nfs/dbraw/zinc/80/69/60/572806960.db2.gz VHZNXOBGOXDWJA-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@H]([NH3+])CC1CC1 307941784 572807114 /nfs/dbraw/zinc/80/71/14/572807114.db2.gz CNQFZEOPSAYWBZ-QNSHHTMESA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1CCCC1 49709057 572807125 /nfs/dbraw/zinc/80/71/25/572807125.db2.gz JDBCWZIEKGTJKE-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1CCCC1 49709057 572807128 /nfs/dbraw/zinc/80/71/28/572807128.db2.gz JDBCWZIEKGTJKE-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CC[C@H](N)C[C@H]1C 49711036 572807163 /nfs/dbraw/zinc/80/71/63/572807163.db2.gz IDPHWFFDOPQXAX-YWVKMMECSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CC[C@H](N)C[C@H]1C 49711036 572807167 /nfs/dbraw/zinc/80/71/67/572807167.db2.gz IDPHWFFDOPQXAX-YWVKMMECSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H]1NC[C@H]([NH3+])CC1CC1 307941793 572807229 /nfs/dbraw/zinc/80/72/29/572807229.db2.gz CNQFZEOPSAYWBZ-SZEHBUNVSA-N 1 3 168.284 1.112 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)C[C@H]1C 49710316 572807252 /nfs/dbraw/zinc/80/72/52/572807252.db2.gz BZAZVUFGSOFGTF-VWYCJHECSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)C[C@H]1C 49710316 572807253 /nfs/dbraw/zinc/80/72/53/572807253.db2.gz BZAZVUFGSOFGTF-VWYCJHECSA-N 1 3 184.327 1.843 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711043 572807336 /nfs/dbraw/zinc/80/73/36/572807336.db2.gz KINLQKGXGZFMSL-JBLDHEPKSA-N 1 3 196.338 1.857 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711043 572807338 /nfs/dbraw/zinc/80/73/38/572807338.db2.gz KINLQKGXGZFMSL-JBLDHEPKSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN([C@@H](C)C2CC2)[C@@H](C)C1 49711043 572807342 /nfs/dbraw/zinc/80/73/42/572807342.db2.gz KINLQKGXGZFMSL-JBLDHEPKSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H](CN)C[N@H+](C)C(C)(C)C 49804678 572807487 /nfs/dbraw/zinc/80/74/87/572807487.db2.gz BCAHJFNFULTSBX-MRVPVSSYSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)C(C)(C)C 49804678 572807491 /nfs/dbraw/zinc/80/74/91/572807491.db2.gz BCAHJFNFULTSBX-MRVPVSSYSA-N 1 3 158.289 1.312 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C2CC2)[C@H](C)C1 49711040 572807511 /nfs/dbraw/zinc/80/75/11/572807511.db2.gz KINLQKGXGZFMSL-JFGNBEQYSA-N 1 3 196.338 1.857 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)[C@H](C)C1 49711040 572807513 /nfs/dbraw/zinc/80/75/13/572807513.db2.gz KINLQKGXGZFMSL-JFGNBEQYSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN([C@@H](C)C2CC2)[C@H](C)C1 49711040 572807516 /nfs/dbraw/zinc/80/75/16/572807516.db2.gz KINLQKGXGZFMSL-JFGNBEQYSA-N 1 3 196.338 1.857 10 0 ADAEHO CCC(CC)[N@@H+]1CC[C@@H](N)[C@H](C)C1 49709078 572807544 /nfs/dbraw/zinc/80/75/44/572807544.db2.gz KNJZUOBAIQETLJ-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@H+]1CC[C@@H](N)[C@H](C)C1 49709078 572807549 /nfs/dbraw/zinc/80/75/49/572807549.db2.gz KNJZUOBAIQETLJ-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 49709153 572807634 /nfs/dbraw/zinc/80/76/34/572807634.db2.gz JZWFBGIVMKMLJO-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@@H](N)C[C@@H]1C 49709153 572807638 /nfs/dbraw/zinc/80/76/38/572807638.db2.gz JZWFBGIVMKMLJO-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(CC)[N@H+]1CC[C@H](N)C[C@@H]1C 49709093 572807736 /nfs/dbraw/zinc/80/77/36/572807736.db2.gz KWVGWCNKKDPRMW-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO N[C@@H](C[NH3+])CCCc1ccc(O)cc1 116595388 572807770 /nfs/dbraw/zinc/80/77/70/572807770.db2.gz RJRCJMSPORQMGQ-SNVBAGLBSA-N 1 3 194.278 1.001 10 0 ADAEHO NCC[C@H]1CCC[N@@H+]1CCCCF 308137972 572807817 /nfs/dbraw/zinc/80/78/17/572807817.db2.gz JMWLIOQRMYEVLL-SNVBAGLBSA-N 1 3 188.290 1.549 10 0 ADAEHO NCC[C@H]1CCC[N@H+]1CCCCF 308137972 572807818 /nfs/dbraw/zinc/80/78/18/572807818.db2.gz JMWLIOQRMYEVLL-SNVBAGLBSA-N 1 3 188.290 1.549 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1CCCC1 49709058 572807825 /nfs/dbraw/zinc/80/78/25/572807825.db2.gz JDBCWZIEKGTJKE-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1CCCC1 49709058 572807828 /nfs/dbraw/zinc/80/78/28/572807828.db2.gz JDBCWZIEKGTJKE-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1N 49709164 572807935 /nfs/dbraw/zinc/80/79/35/572807935.db2.gz WJVLROWHAJQXFL-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCCCC2)CC[C@@H]1N 49709164 572807939 /nfs/dbraw/zinc/80/79/39/572807939.db2.gz WJVLROWHAJQXFL-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC(CC)[N@@H+]1CC[C@H](N)[C@H](C)C1 49709076 572808005 /nfs/dbraw/zinc/80/80/05/572808005.db2.gz KNJZUOBAIQETLJ-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@H+]1CC[C@H](N)[C@H](C)C1 49709076 572808010 /nfs/dbraw/zinc/80/80/10/572808010.db2.gz KNJZUOBAIQETLJ-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC(C)(C)C 49713175 572808030 /nfs/dbraw/zinc/80/80/30/572808030.db2.gz WKTWGVBXJOICCF-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1CC(C)(C)C 49713175 572808033 /nfs/dbraw/zinc/80/80/33/572808033.db2.gz WKTWGVBXJOICCF-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1CC(C)(C)C 49713175 572808035 /nfs/dbraw/zinc/80/80/35/572808035.db2.gz WKTWGVBXJOICCF-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@@H+]1CC[C@@H](N)C[C@@H]1C 49709094 572808045 /nfs/dbraw/zinc/80/80/45/572808045.db2.gz KWVGWCNKKDPRMW-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(CC)[N@H+]1CC[C@@H](N)C[C@@H]1C 49709094 572808050 /nfs/dbraw/zinc/80/80/50/572808050.db2.gz KWVGWCNKKDPRMW-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CN(C)CC1(C[NH3+])CCCCC1 49805001 572809676 /nfs/dbraw/zinc/80/96/76/572809676.db2.gz JJCXDGHKKZKAMQ-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO C[NH+](C)CC1(CN)CCCCC1 49805001 572809678 /nfs/dbraw/zinc/80/96/78/572809678.db2.gz JJCXDGHKKZKAMQ-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO C[C@H](C[NH3+])CCNCc1ccco1 49805784 572810437 /nfs/dbraw/zinc/81/04/37/572810437.db2.gz GCUICPSHRPJNPX-VIFPVBQESA-N 1 3 182.267 1.354 10 0 ADAEHO NCC[C@@H]1CCC[N@@H+]1CCCCF 308137971 572810484 /nfs/dbraw/zinc/81/04/84/572810484.db2.gz JMWLIOQRMYEVLL-JTQLQIEISA-N 1 3 188.290 1.549 10 0 ADAEHO NCC[C@@H]1CCC[N@H+]1CCCCF 308137971 572810487 /nfs/dbraw/zinc/81/04/87/572810487.db2.gz JMWLIOQRMYEVLL-JTQLQIEISA-N 1 3 188.290 1.549 10 0 ADAEHO C[C@H](CC[NH3+])CNCc1ccco1 49805787 572810810 /nfs/dbraw/zinc/81/08/10/572810810.db2.gz DUNPSMFUERQJAA-SECBINFHSA-N 1 3 182.267 1.354 10 0 ADAEHO CC1CCN(CC2(C[NH3+])CC2)CC1 49805791 572810932 /nfs/dbraw/zinc/81/09/32/572810932.db2.gz BVOZOESEXRURNX-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO CC1CCN(CC(C)(C)C[NH3+])CC1 49805940 572811077 /nfs/dbraw/zinc/81/10/77/572811077.db2.gz GYBODEOMIVHRGG-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](C[NH3+])CCNCc1ccccn1 49807269 572813078 /nfs/dbraw/zinc/81/30/78/572813078.db2.gz PGXCGHHFKSMZEF-JTQLQIEISA-N 1 3 193.294 1.156 10 0 ADAEHO CCNC[C@H](C)C[NH2+][C@H]1CC[C@@H]1C 308133898 572813360 /nfs/dbraw/zinc/81/33/60/572813360.db2.gz GWUKLAXLDRKMTO-DCAQKATOSA-N 1 3 184.327 1.620 10 0 ADAEHO FCCCCNC[C@@H]1CCCC[NH2+]1 308139292 572813380 /nfs/dbraw/zinc/81/33/80/572813380.db2.gz RGWYEXHTXGGWLJ-JTQLQIEISA-N 1 3 188.290 1.468 10 0 ADAEHO CN(CCCCF)C1CC[NH2+]CC1 308139312 572813512 /nfs/dbraw/zinc/81/35/12/572813512.db2.gz KCDLMLZLYTVOQA-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO C[C@H](CC[NH3+])CNCc1ccccn1 49807276 572813673 /nfs/dbraw/zinc/81/36/73/572813673.db2.gz VYKYHXOSWPTELY-SNVBAGLBSA-N 1 3 193.294 1.156 10 0 ADAEHO CCNC[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C 308133900 572813767 /nfs/dbraw/zinc/81/37/67/572813767.db2.gz GWUKLAXLDRKMTO-GARJFASQSA-N 1 3 184.327 1.620 10 0 ADAEHO FCCCCNC[C@H]1CCCC[NH2+]1 308139293 572813811 /nfs/dbraw/zinc/81/38/11/572813811.db2.gz RGWYEXHTXGGWLJ-SNVBAGLBSA-N 1 3 188.290 1.468 10 0 ADAEHO CCNC[C@H](C)C[NH2+][C@H]1CC[C@H]1C 308133897 572813993 /nfs/dbraw/zinc/81/39/93/572813993.db2.gz GWUKLAXLDRKMTO-AXFHLTTASA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)(CCCN1CCC1)C(N)=[NH2+] 308134908 572814762 /nfs/dbraw/zinc/81/47/62/572814762.db2.gz HNISYGIKHOJQAE-UHFFFAOYSA-N 1 3 183.299 1.434 10 0 ADAEHO CN1CCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C1 75123462 572814788 /nfs/dbraw/zinc/81/47/88/572814788.db2.gz ZCVBDKGPOXFKNW-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CCNC[C@H](C)C[NH2+][C@@H]1CC[C@H]1C 308133902 572815369 /nfs/dbraw/zinc/81/53/69/572815369.db2.gz GWUKLAXLDRKMTO-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO CN1CCC[C@@H]2[NH2+]CCC(C)(C)[C@H]2C1 75123455 572815663 /nfs/dbraw/zinc/81/56/63/572815663.db2.gz ZCVBDKGPOXFKNW-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(CC)CC[C@@H]([NH3+])CC1CC1 85795271 572815721 /nfs/dbraw/zinc/81/57/21/572815721.db2.gz TUKFWPWJINRWLK-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH+](C)C[C@@H](N)CCc1cccs1 85798136 572815906 /nfs/dbraw/zinc/81/59/06/572815906.db2.gz PJQDKMROKBOCFJ-VIFPVBQESA-N 1 3 198.335 1.570 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(CC)CC 85795099 572816240 /nfs/dbraw/zinc/81/62/40/572816240.db2.gz YKSMLVOLQQOGKS-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CN1CCC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 75123466 572816584 /nfs/dbraw/zinc/81/65/84/572816584.db2.gz ZCVBDKGPOXFKNW-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CN1CCC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 75123459 572816679 /nfs/dbraw/zinc/81/66/79/572816679.db2.gz ZCVBDKGPOXFKNW-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@H]([NH3+])CCN(CC)CC 85795097 572817465 /nfs/dbraw/zinc/81/74/65/572817465.db2.gz YKSMLVOLQQOGKS-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO C[NH+](C)C[C@@H](N)CCc1ccsc1 85798282 572817690 /nfs/dbraw/zinc/81/76/90/572817690.db2.gz CKOLRQUHVPZVHY-JTQLQIEISA-N 1 3 198.335 1.570 10 0 ADAEHO [NH3+]C[C@@H]1CCCN(CCCCF)C1 238558644 572817812 /nfs/dbraw/zinc/81/78/12/572817812.db2.gz RWRWSZJAMVTLAU-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO NC[C@@H]1CCC[N@H+](CCCCF)C1 238558644 572817815 /nfs/dbraw/zinc/81/78/15/572817815.db2.gz RWRWSZJAMVTLAU-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO NC[C@@H]1CCC[N@@H+](CCCCF)C1 238558644 572817818 /nfs/dbraw/zinc/81/78/18/572817818.db2.gz RWRWSZJAMVTLAU-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO CCN(CC)CC[C@@H]([NH2+]C)C(C)C 85795568 572817912 /nfs/dbraw/zinc/81/79/12/572817912.db2.gz QOHCLSQFVSPKCY-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC)CC[C@H]([NH2+]C)C(C)C 85795565 572818002 /nfs/dbraw/zinc/81/80/02/572818002.db2.gz QOHCLSQFVSPKCY-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC)CC[C@@H]([NH2+]C)C1CC1 85795703 572818024 /nfs/dbraw/zinc/81/80/24/572818024.db2.gz PMFKKVOBMCPOOH-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(CC)CC[C@H]([NH2+]C)C1CC1 85795701 572818117 /nfs/dbraw/zinc/81/81/17/572818117.db2.gz PMFKKVOBMCPOOH-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](CCN(CC)CC)[NH2+]C 85795482 572818192 /nfs/dbraw/zinc/81/81/92/572818192.db2.gz DIOFICFEOHHURW-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO NC[C@@H]1CC[N@H+](CCCCF)C1 238561716 572818411 /nfs/dbraw/zinc/81/84/11/572818411.db2.gz KXEUSHLNSDHBTR-VIFPVBQESA-N 1 3 174.263 1.017 10 0 ADAEHO NC[C@@H]1CC[N@@H+](CCCCF)C1 238561716 572818414 /nfs/dbraw/zinc/81/84/14/572818414.db2.gz KXEUSHLNSDHBTR-VIFPVBQESA-N 1 3 174.263 1.017 10 0 ADAEHO [NH3+]C[C@@H]1CCN(CCCCF)C1 238561716 572818416 /nfs/dbraw/zinc/81/84/16/572818416.db2.gz KXEUSHLNSDHBTR-VIFPVBQESA-N 1 3 174.263 1.017 10 0 ADAEHO CC[C@H](C)NC[C@@]1(C)C[NH2+]C[C@@H]1C 308135882 572818494 /nfs/dbraw/zinc/81/84/94/572818494.db2.gz OGGIQVBVFHEZDF-GARJFASQSA-N 1 3 184.327 1.620 10 0 ADAEHO C[NH+](C)C[C@H](N)CCc1ccsc1 85798279 572818557 /nfs/dbraw/zinc/81/85/57/572818557.db2.gz CKOLRQUHVPZVHY-SNVBAGLBSA-N 1 3 198.335 1.570 10 0 ADAEHO C[NH+](C)C[C@H](N)CCc1cccs1 85798133 572818952 /nfs/dbraw/zinc/81/89/52/572818952.db2.gz PJQDKMROKBOCFJ-SECBINFHSA-N 1 3 198.335 1.570 10 0 ADAEHO CCN(CC)CC[C@H]([NH3+])CC1CC1 85795267 572819075 /nfs/dbraw/zinc/81/90/75/572819075.db2.gz TUKFWPWJINRWLK-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCC(CC)[N@H+](C)[C@@H]1CC[C@@H](N)C1 223123101 572819181 /nfs/dbraw/zinc/81/91/81/572819181.db2.gz ZKABVLJFVYYSDB-MWLCHTKSSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223123101 572819185 /nfs/dbraw/zinc/81/91/85/572819185.db2.gz ZKABVLJFVYYSDB-MWLCHTKSSA-N 1 3 184.327 1.987 10 0 ADAEHO CCOC(C)(C)CNCC(C)(C)[NH3+] 308135142 572819329 /nfs/dbraw/zinc/81/93/29/572819329.db2.gz NKZQJNCKEQFFSM-UHFFFAOYSA-N 1 3 188.315 1.128 10 0 ADAEHO CC[C@H](C)NC[C@]1(C)C[NH2+]C[C@H]1C 308135888 572820043 /nfs/dbraw/zinc/82/00/43/572820043.db2.gz OGGIQVBVFHEZDF-VWYCJHECSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@H](C)NC[C@]1(C)C[NH2+]C[C@@H]1C 308135880 572820135 /nfs/dbraw/zinc/82/01/35/572820135.db2.gz OGGIQVBVFHEZDF-DCAQKATOSA-N 1 3 184.327 1.620 10 0 ADAEHO C(CC12CCC(CC1)[NH2+]2)NC1CC1 713542898 572820994 /nfs/dbraw/zinc/82/09/94/572820994.db2.gz APFXXMKBOIUQAM-UHFFFAOYSA-N 1 3 180.295 1.413 10 0 ADAEHO CC1(NC[C@@H]([NH3+])CC(F)(F)F)CC1 308140113 572823614 /nfs/dbraw/zinc/82/36/14/572823614.db2.gz KMYZSKRISYOQEM-LURJTMIESA-N 1 3 196.216 1.408 10 0 ADAEHO CCNCCC12CCC(CC1)[NH2+]2 713542880 572821133 /nfs/dbraw/zinc/82/11/33/572821133.db2.gz AORJXYAMIUHRFP-UHFFFAOYSA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CCC1CC1 308140213 572821399 /nfs/dbraw/zinc/82/13/99/572821399.db2.gz RTONSFQCGFFFKZ-KOLCDFICSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCCN1CCC[C@](C)(C[NH3+])C1 688703088 572821478 /nfs/dbraw/zinc/82/14/78/572821478.db2.gz IQSQQPKQAKFTKL-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]CCC1CC1 308139803 572821685 /nfs/dbraw/zinc/82/16/85/572821685.db2.gz RTONSFQCGFFFKZ-GXSJLCMTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1C 235263433 572822046 /nfs/dbraw/zinc/82/20/46/572822046.db2.gz XHNNQGOANZOZPJ-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCCN1CCC[C@@](C)(C[NH3+])C1 688703093 572822672 /nfs/dbraw/zinc/82/26/72/572822672.db2.gz IQSQQPKQAKFTKL-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]CCC1CC1 308140215 572823247 /nfs/dbraw/zinc/82/32/47/572823247.db2.gz RTONSFQCGFFFKZ-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]CCC1CC1 308140218 572824243 /nfs/dbraw/zinc/82/42/43/572824243.db2.gz RTONSFQCGFFFKZ-ONGXEEELSA-N 1 3 182.311 1.374 10 0 ADAEHO C1CC(NCCC23CCC(CC2)[NH2+]3)C1 713550980 572824663 /nfs/dbraw/zinc/82/46/63/572824663.db2.gz VXHADJAEGXQRMD-UHFFFAOYSA-N 1 3 194.322 1.803 10 0 ADAEHO NC[C@H]1CC[N@H+](CCCCF)C1 238557456 572824854 /nfs/dbraw/zinc/82/48/54/572824854.db2.gz KXEUSHLNSDHBTR-SECBINFHSA-N 1 3 174.263 1.017 10 0 ADAEHO NC[C@H]1CC[N@@H+](CCCCF)C1 238557456 572824857 /nfs/dbraw/zinc/82/48/57/572824857.db2.gz KXEUSHLNSDHBTR-SECBINFHSA-N 1 3 174.263 1.017 10 0 ADAEHO [NH3+]C[C@H]1CCN(CCCCF)C1 238557456 572824859 /nfs/dbraw/zinc/82/48/59/572824859.db2.gz KXEUSHLNSDHBTR-SECBINFHSA-N 1 3 174.263 1.017 10 0 ADAEHO CC(C)OCCCN[C@H](C)[C@@H](C)[NH3+] 308141176 572825324 /nfs/dbraw/zinc/82/53/24/572825324.db2.gz UCDVFVJXCNBQAR-NXEZZACHSA-N 1 3 188.315 1.127 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+]CCCF 308140854 572825952 /nfs/dbraw/zinc/82/59/52/572825952.db2.gz LECSUWVHKHPPJU-SNVBAGLBSA-N 1 3 190.306 1.557 10 0 ADAEHO CC(C)C[C@@H](CN)C[NH2+]CCCF 308140853 572826166 /nfs/dbraw/zinc/82/61/66/572826166.db2.gz LECSUWVHKHPPJU-JTQLQIEISA-N 1 3 190.306 1.557 10 0 ADAEHO CC(C)OCCCN[C@H](C)[C@H](C)[NH3+] 308141178 572826468 /nfs/dbraw/zinc/82/64/68/572826468.db2.gz UCDVFVJXCNBQAR-VHSXEESVSA-N 1 3 188.315 1.127 10 0 ADAEHO CC(C)OCCCN[C@@H](C)[C@@H](C)[NH3+] 308141179 572826713 /nfs/dbraw/zinc/82/67/13/572826713.db2.gz UCDVFVJXCNBQAR-ZJUUUORDSA-N 1 3 188.315 1.127 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C 308141634 572828831 /nfs/dbraw/zinc/82/88/31/572828831.db2.gz LLTAELNHZWMPEB-HBNTYKKESA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C 308141630 572829152 /nfs/dbraw/zinc/82/91/52/572829152.db2.gz LLTAELNHZWMPEB-AXFHLTTASA-N 1 3 184.327 1.750 10 0 ADAEHO NC[C@H]1CC[N@H+](CC[C@@H]2C=CCC2)C1 238569504 572829427 /nfs/dbraw/zinc/82/94/27/572829427.db2.gz WYOBPEZIGWAORS-VXGBXAGGSA-N 1 3 194.322 1.623 10 0 ADAEHO NC[C@H]1CC[N@@H+](CC[C@@H]2C=CCC2)C1 238569504 572829431 /nfs/dbraw/zinc/82/94/31/572829431.db2.gz WYOBPEZIGWAORS-VXGBXAGGSA-N 1 3 194.322 1.623 10 0 ADAEHO CC[C@H](C[NH3+])CNCCC(F)F 308141852 572829554 /nfs/dbraw/zinc/82/95/54/572829554.db2.gz HSLGSWNSTWXLLJ-SSDOTTSWSA-N 1 3 180.242 1.216 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCC(F)F 308141852 572829558 /nfs/dbraw/zinc/82/95/58/572829558.db2.gz HSLGSWNSTWXLLJ-SSDOTTSWSA-N 1 3 180.242 1.216 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299893077 572829657 /nfs/dbraw/zinc/82/96/57/572829657.db2.gz HNRUVQVWZZXKLM-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H]2CCCN[C@H]2C1 299893077 572829661 /nfs/dbraw/zinc/82/96/61/572829661.db2.gz HNRUVQVWZZXKLM-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO NC[C@@H]1CC[N@H+](CC[C@@H]2C=CCC2)C1 238569922 572830028 /nfs/dbraw/zinc/83/00/28/572830028.db2.gz WYOBPEZIGWAORS-NEPJUHHUSA-N 1 3 194.322 1.623 10 0 ADAEHO NC[C@@H]1CC[N@@H+](CC[C@@H]2C=CCC2)C1 238569922 572830033 /nfs/dbraw/zinc/83/00/33/572830033.db2.gz WYOBPEZIGWAORS-NEPJUHHUSA-N 1 3 194.322 1.623 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 299893076 572832011 /nfs/dbraw/zinc/83/20/11/572832011.db2.gz HNRUVQVWZZXKLM-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 299893076 572832014 /nfs/dbraw/zinc/83/20/14/572832014.db2.gz HNRUVQVWZZXKLM-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](NCCC(F)F)C1 308142698 572832136 /nfs/dbraw/zinc/83/21/36/572832136.db2.gz IETKDNVNCVJWTL-NKWVEPMBSA-N 1 3 178.226 1.111 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H]2NCCC[C@@H]2C1 299893078 572832584 /nfs/dbraw/zinc/83/25/84/572832584.db2.gz HNRUVQVWZZXKLM-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H]2NCCC[C@@H]2C1 299893078 572832588 /nfs/dbraw/zinc/83/25/88/572832588.db2.gz HNRUVQVWZZXKLM-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN1C(C)(C)C 71496565 572834622 /nfs/dbraw/zinc/83/46/22/572834622.db2.gz QHNMEMASUKAEGC-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](NCCC(F)F)C1 308142702 572833245 /nfs/dbraw/zinc/83/32/45/572833245.db2.gz IETKDNVNCVJWTL-RNFRBKRXSA-N 1 3 178.226 1.111 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](NCCC(F)F)C1 308142704 572833439 /nfs/dbraw/zinc/83/34/39/572833439.db2.gz IETKDNVNCVJWTL-RQJHMYQMSA-N 1 3 178.226 1.111 10 0 ADAEHO C[C@H]1C[NH2+]CCCN1C(C)(C)C 71496566 572833602 /nfs/dbraw/zinc/83/36/02/572833602.db2.gz QHNMEMASUKAEGC-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCCCF 307956405 572835945 /nfs/dbraw/zinc/83/59/45/572835945.db2.gz GAZJAJZJASXAIU-VIFPVBQESA-N 1 3 176.279 1.311 10 0 ADAEHO C1CC(N2C[C@H]3CCC[NH2+][C@H]3C2)C1 299894000 572836701 /nfs/dbraw/zinc/83/67/01/572836701.db2.gz RHIODUCQPLULFW-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC(N2C[C@@H]3CCC[NH2+][C@H]3C2)C1 299894001 572838350 /nfs/dbraw/zinc/83/83/50/572838350.db2.gz RHIODUCQPLULFW-ONGXEEELSA-N 1 3 180.295 1.223 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCCCF 307956404 572838757 /nfs/dbraw/zinc/83/87/57/572838757.db2.gz GAZJAJZJASXAIU-SECBINFHSA-N 1 3 176.279 1.311 10 0 ADAEHO CC(C)[NH2+]CCCN1C[C@H](C)[C@@H](C)C1 86009101 572840137 /nfs/dbraw/zinc/84/01/37/572840137.db2.gz LYYKGWWBIVIINN-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCCC[NH+]1C[C@@H](C)[C@H](C)C1 86009378 572840285 /nfs/dbraw/zinc/84/02/85/572840285.db2.gz ROWPIFJJTAWPCT-GHMZBOCLSA-N 1 3 184.327 1.574 10 0 ADAEHO CCC[C@@H]([NH3+])CN1C[C@@H](C)[C@@H](C)C1 86009443 572840024 /nfs/dbraw/zinc/84/00/24/572840024.db2.gz YCEXAEHJYQEYPE-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CCN[C@@H](CC)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009427 572840059 /nfs/dbraw/zinc/84/00/59/572840059.db2.gz DFPQESGLAZBVFZ-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@@H](CC)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009427 572840063 /nfs/dbraw/zinc/84/00/63/572840063.db2.gz DFPQESGLAZBVFZ-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009376 572840086 /nfs/dbraw/zinc/84/00/86/572840086.db2.gz ROWPIFJJTAWPCT-PHIMTYICSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009376 572840089 /nfs/dbraw/zinc/84/00/89/572840089.db2.gz ROWPIFJJTAWPCT-PHIMTYICSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[NH2+]CCCN1C[C@@H](C)[C@@H](C)C1 86009376 572840096 /nfs/dbraw/zinc/84/00/96/572840096.db2.gz ROWPIFJJTAWPCT-PHIMTYICSA-N 1 3 184.327 1.574 10 0 ADAEHO CCNCCC[NH+]1C[C@H](C)[C@@H](C)C1 86009381 572840201 /nfs/dbraw/zinc/84/02/01/572840201.db2.gz ROWPIFJJTAWPCT-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[NH2+]CCCN1C[C@H](C)[C@@H](C)C1 86009381 572840205 /nfs/dbraw/zinc/84/02/05/572840205.db2.gz ROWPIFJJTAWPCT-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[C@H](CCN)[N@H+]1C[C@@H](C)[C@@H](C)C1 86008606 572840226 /nfs/dbraw/zinc/84/02/26/572840226.db2.gz ZVQAXTDAFKEFIC-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008606 572840228 /nfs/dbraw/zinc/84/02/28/572840228.db2.gz ZVQAXTDAFKEFIC-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009205 572840267 /nfs/dbraw/zinc/84/02/67/572840267.db2.gz CEZGZONEIIBDMU-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009205 572840271 /nfs/dbraw/zinc/84/02/71/572840271.db2.gz CEZGZONEIIBDMU-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@@H](C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009260 572841631 /nfs/dbraw/zinc/84/16/31/572841631.db2.gz AOUPMKHWMHZDRV-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]CCCN1C[C@@H](C)[C@H](C)C1 86009378 572840289 /nfs/dbraw/zinc/84/02/89/572840289.db2.gz ROWPIFJJTAWPCT-GHMZBOCLSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1C[C@@H](C)[C@@H](C)C1 86009260 572841635 /nfs/dbraw/zinc/84/16/35/572841635.db2.gz AOUPMKHWMHZDRV-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1C[C@@H](C)[C@@H](C)C1 86008604 572840399 /nfs/dbraw/zinc/84/03/99/572840399.db2.gz ZVQAXTDAFKEFIC-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008604 572840402 /nfs/dbraw/zinc/84/04/02/572840402.db2.gz ZVQAXTDAFKEFIC-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[NH2+]CCCN1C[C@@H](C)[C@@H](C)C1 86009726 572840611 /nfs/dbraw/zinc/84/06/11/572840611.db2.gz WVFXGEYYGXGFHC-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCNCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009726 572840614 /nfs/dbraw/zinc/84/06/14/572840614.db2.gz WVFXGEYYGXGFHC-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCNCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009726 572840617 /nfs/dbraw/zinc/84/06/17/572840617.db2.gz WVFXGEYYGXGFHC-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1C[N@@H+](CCNC2CC2)C[C@@H]1C 86009294 572840645 /nfs/dbraw/zinc/84/06/45/572840645.db2.gz YZJILVLZINOITN-AOOOYVTPSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@H+](CCNC2CC2)C[C@@H]1C 86009294 572840646 /nfs/dbraw/zinc/84/06/46/572840646.db2.gz YZJILVLZINOITN-AOOOYVTPSA-N 1 3 182.311 1.326 10 0 ADAEHO CN[C@H](C)CC[NH+]1C[C@H](C)[C@@H](C)C1 86009758 572840820 /nfs/dbraw/zinc/84/08/20/572840820.db2.gz GBSRERNATREYPY-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[C@H]([NH3+])CN1C[C@@H](C)[C@@H](C)C1 86009442 572840894 /nfs/dbraw/zinc/84/08/94/572840894.db2.gz YCEXAEHJYQEYPE-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[NH2+]CCCN1C[C@@H](C)[C@H](C)C1 86009729 572840926 /nfs/dbraw/zinc/84/09/26/572840926.db2.gz WVFXGEYYGXGFHC-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCNCCC[NH+]1C[C@@H](C)[C@H](C)C1 86009729 572840930 /nfs/dbraw/zinc/84/09/30/572840930.db2.gz WVFXGEYYGXGFHC-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)(CN)C[NH2+]CCCCF 307957762 572841088 /nfs/dbraw/zinc/84/10/88/572841088.db2.gz HIGMVFKUVMKRLD-UHFFFAOYSA-N 1 3 176.279 1.311 10 0 ADAEHO CN[C@@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)C1CC1 86009392 572841162 /nfs/dbraw/zinc/84/11/62/572841162.db2.gz OLCLITKOUOCFNI-UMNHJUIQSA-N 1 3 196.338 1.572 10 0 ADAEHO CN[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)C1CC1 86009392 572841167 /nfs/dbraw/zinc/84/11/67/572841167.db2.gz OLCLITKOUOCFNI-UMNHJUIQSA-N 1 3 196.338 1.572 10 0 ADAEHO CN[C@H](C)CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009757 572841324 /nfs/dbraw/zinc/84/13/24/572841324.db2.gz GBSRERNATREYPY-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009757 572841330 /nfs/dbraw/zinc/84/13/30/572841330.db2.gz GBSRERNATREYPY-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H](CCN)[NH+]1C[C@@H](C)[C@H](C)C1 86008610 572841462 /nfs/dbraw/zinc/84/14/62/572841462.db2.gz ZVQAXTDAFKEFIC-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009387 572841503 /nfs/dbraw/zinc/84/15/03/572841503.db2.gz MHXDJSSXQVTIPE-KXNHARMFSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009387 572841507 /nfs/dbraw/zinc/84/15/07/572841507.db2.gz MHXDJSSXQVTIPE-KXNHARMFSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](N)C2)C1 71507427 572841548 /nfs/dbraw/zinc/84/15/48/572841548.db2.gz JEPUOXYUVBPKQD-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](N)C2)C1 71507427 572841551 /nfs/dbraw/zinc/84/15/51/572841551.db2.gz JEPUOXYUVBPKQD-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009117 572841606 /nfs/dbraw/zinc/84/16/06/572841606.db2.gz RFLIIHFCMZJJBT-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009117 572841612 /nfs/dbraw/zinc/84/16/12/572841612.db2.gz RFLIIHFCMZJJBT-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN[C@@H](C)CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009260 572841626 /nfs/dbraw/zinc/84/16/26/572841626.db2.gz AOUPMKHWMHZDRV-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[NH+](CCCNC2CC2)C[C@H]1C 86009724 572841668 /nfs/dbraw/zinc/84/16/68/572841668.db2.gz ONPRDLRUFIDRLH-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1C 86009724 572841672 /nfs/dbraw/zinc/84/16/72/572841672.db2.gz ONPRDLRUFIDRLH-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009208 572841768 /nfs/dbraw/zinc/84/17/68/572841768.db2.gz CEZGZONEIIBDMU-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009208 572841772 /nfs/dbraw/zinc/84/17/72/572841772.db2.gz CEZGZONEIIBDMU-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[NH2+]CCCN1C[C@H](C)[C@@H](C)C1 86009730 572841954 /nfs/dbraw/zinc/84/19/54/572841954.db2.gz WVFXGEYYGXGFHC-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCNCCC[NH+]1C[C@H](C)[C@@H](C)C1 86009730 572841958 /nfs/dbraw/zinc/84/19/58/572841958.db2.gz WVFXGEYYGXGFHC-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[NH2+]CCCN1C[C@@H](C)[C@@H](C)C1 86009100 572842036 /nfs/dbraw/zinc/84/20/36/572842036.db2.gz LYYKGWWBIVIINN-TXEJJXNPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](CNCCC(F)F)[C@@H](C)[NH3+] 308149572 572842290 /nfs/dbraw/zinc/84/22/90/572842290.db2.gz MBKNSHXMCKBBLK-NKWVEPMBSA-N 1 3 180.242 1.215 10 0 ADAEHO C[C@@H]1C[N@@H+](CCCNC2CC2)C[C@@H]1C 86009721 572842299 /nfs/dbraw/zinc/84/22/99/572842299.db2.gz ONPRDLRUFIDRLH-PHIMTYICSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[N@H+](CCCNC2CC2)C[C@@H]1C 86009721 572842301 /nfs/dbraw/zinc/84/23/01/572842301.db2.gz ONPRDLRUFIDRLH-PHIMTYICSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1C 86009721 572842305 /nfs/dbraw/zinc/84/23/05/572842305.db2.gz ONPRDLRUFIDRLH-PHIMTYICSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN[C@@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009172 572842346 /nfs/dbraw/zinc/84/23/46/572842346.db2.gz YCBXIIVAFYBYMI-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CCN[C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009172 572842350 /nfs/dbraw/zinc/84/23/50/572842350.db2.gz YCBXIIVAFYBYMI-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H](C)C[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 86009389 572843064 /nfs/dbraw/zinc/84/30/64/572843064.db2.gz MHXDJSSXQVTIPE-YFKTTZPYSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](CC)C[NH+]1C[C@@H](C)[C@H](C)C1 86009432 572842474 /nfs/dbraw/zinc/84/24/74/572842474.db2.gz DFPQESGLAZBVFZ-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO CCOCCN(C)[C@@H](C)C[C@@H](C)[NH3+] 87977045 572845946 /nfs/dbraw/zinc/84/59/46/572845946.db2.gz DAXPGQMXIBRPGJ-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CN[C@H](C)C[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86009390 572842750 /nfs/dbraw/zinc/84/27/50/572842750.db2.gz MHXDJSSXQVTIPE-KKOKHZNYSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](C)[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009524 572842770 /nfs/dbraw/zinc/84/27/70/572842770.db2.gz IJNGXQOUYOOQJT-WRWGMCAJSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009524 572842772 /nfs/dbraw/zinc/84/27/72/572842772.db2.gz IJNGXQOUYOOQJT-WRWGMCAJSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](C)CC[NH+]1C[C@@H](C)[C@H](C)C1 86009266 572842837 /nfs/dbraw/zinc/84/28/37/572842837.db2.gz AOUPMKHWMHZDRV-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@H](C)CCN1C[C@@H](C)[C@H](C)C1 86009266 572842840 /nfs/dbraw/zinc/84/28/40/572842840.db2.gz AOUPMKHWMHZDRV-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C[NH+]1C[C@@H](C)[C@H](C)C1)NC 86009211 572842877 /nfs/dbraw/zinc/84/28/77/572842877.db2.gz CEZGZONEIIBDMU-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C(C)(C)CNCCCCF 307958736 572843015 /nfs/dbraw/zinc/84/30/15/572843015.db2.gz IGAJTOUPSJQHSX-UHFFFAOYSA-N 1 3 176.279 1.324 10 0 ADAEHO CCN[C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 86009176 572843042 /nfs/dbraw/zinc/84/30/42/572843042.db2.gz YCBXIIVAFYBYMI-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@@](C)(N)C[NH2+]CCC(F)F 308150194 572843063 /nfs/dbraw/zinc/84/30/63/572843063.db2.gz MHAMVRXJJGCWAS-MRVPVSSYSA-N 1 3 180.242 1.359 10 0 ADAEHO CCN[C@H](CC)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009429 572843096 /nfs/dbraw/zinc/84/30/96/572843096.db2.gz DFPQESGLAZBVFZ-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H](CC)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009429 572843099 /nfs/dbraw/zinc/84/30/99/572843099.db2.gz DFPQESGLAZBVFZ-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009173 572843136 /nfs/dbraw/zinc/84/31/36/572843136.db2.gz YCBXIIVAFYBYMI-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009173 572843138 /nfs/dbraw/zinc/84/31/38/572843138.db2.gz YCBXIIVAFYBYMI-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)[NH2+]CCCN1C[C@@H](C)[C@H](C)C1 86009103 572843605 /nfs/dbraw/zinc/84/36/05/572843605.db2.gz LYYKGWWBIVIINN-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H](C)CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009261 572843230 /nfs/dbraw/zinc/84/32/30/572843230.db2.gz AOUPMKHWMHZDRV-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H](C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009261 572843236 /nfs/dbraw/zinc/84/32/36/572843236.db2.gz AOUPMKHWMHZDRV-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@H](C)CCN1C[C@@H](C)[C@@H](C)C1 86009261 572843238 /nfs/dbraw/zinc/84/32/38/572843238.db2.gz AOUPMKHWMHZDRV-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[NH+](CCNC2CC2)C[C@H]1C 86009299 572843284 /nfs/dbraw/zinc/84/32/84/572843284.db2.gz YZJILVLZINOITN-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@](C)(N)C[NH2+]CCC(F)F 308150195 572843326 /nfs/dbraw/zinc/84/33/26/572843326.db2.gz MHAMVRXJJGCWAS-QMMMGPOBSA-N 1 3 180.242 1.359 10 0 ADAEHO CN[C@H](C)CC[NH+]1C[C@@H](C)[C@H](C)C1 86009760 572843650 /nfs/dbraw/zinc/84/36/50/572843650.db2.gz GBSRERNATREYPY-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[C@H]([NH3+])CN1C[C@@H](C)[C@H](C)C1 86009445 572843669 /nfs/dbraw/zinc/84/36/69/572843669.db2.gz YCEXAEHJYQEYPE-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[NH+](CCCNC2CC2)C[C@@H]1C 86009722 572844008 /nfs/dbraw/zinc/84/40/08/572844008.db2.gz ONPRDLRUFIDRLH-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1C 86009722 572844010 /nfs/dbraw/zinc/84/40/10/572844010.db2.gz ONPRDLRUFIDRLH-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[NH+](CCNC2CC2)C[C@@H]1C 86009296 572844020 /nfs/dbraw/zinc/84/40/20/572844020.db2.gz YZJILVLZINOITN-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CCOCCN(C)[C@H](C)C[C@@H](C)[NH3+] 87977046 572844764 /nfs/dbraw/zinc/84/47/64/572844764.db2.gz DAXPGQMXIBRPGJ-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CN)[N@@H+](C)CCOC(C)C 87976371 572846284 /nfs/dbraw/zinc/84/62/84/572846284.db2.gz SAQSUBUOYYQMHI-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO CCOCCN(C)[C@H](CC)CC[NH3+] 87976298 572846092 /nfs/dbraw/zinc/84/60/92/572846092.db2.gz XCPPPVCZXAIAQI-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](CN)[N@H+](C)CCOC(C)C 87976371 572846282 /nfs/dbraw/zinc/84/62/82/572846282.db2.gz SAQSUBUOYYQMHI-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+]C1(CNC2CCC2)CCC1 307963632 572847303 /nfs/dbraw/zinc/84/73/03/572847303.db2.gz OURAVXFWSYGKEE-UHFFFAOYSA-N 1 3 168.284 1.271 10 0 ADAEHO CC1(NC[C@H]([NH3+])CC2CC2)CC1 307959765 572849890 /nfs/dbraw/zinc/84/98/90/572849890.db2.gz JOSUSGUSGKWNQH-SECBINFHSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@@H](CNCCCF)CC1CC1 307959594 572850795 /nfs/dbraw/zinc/85/07/95/572850795.db2.gz JKDXEGCEMWVYOD-SECBINFHSA-N 1 3 174.263 1.063 10 0 ADAEHO [NH3+][C@H](CNCCCF)CC1CC1 307959595 572849995 /nfs/dbraw/zinc/84/99/95/572849995.db2.gz JKDXEGCEMWVYOD-VIFPVBQESA-N 1 3 174.263 1.063 10 0 ADAEHO CC1(NC[C@@H]([NH3+])CC2CC2)CC1 307959767 572850174 /nfs/dbraw/zinc/85/01/74/572850174.db2.gz JOSUSGUSGKWNQH-VIFPVBQESA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@H]1CC[C@H]1[NH2+]CCCNC1CC1 308145537 572852232 /nfs/dbraw/zinc/85/22/32/572852232.db2.gz NSSFRVCEXSUQIM-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+]CCCNC1CC1 308145539 572852723 /nfs/dbraw/zinc/85/27/23/572852723.db2.gz NSSFRVCEXSUQIM-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH2+]CCCNC1CC1 308145540 572853224 /nfs/dbraw/zinc/85/32/24/572853224.db2.gz NSSFRVCEXSUQIM-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+]CCCNC1CC1 308145538 572853907 /nfs/dbraw/zinc/85/39/07/572853907.db2.gz NSSFRVCEXSUQIM-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015131 572853936 /nfs/dbraw/zinc/85/39/36/572853936.db2.gz YIYXUXCRUUJOOB-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015131 572853939 /nfs/dbraw/zinc/85/39/39/572853939.db2.gz YIYXUXCRUUJOOB-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015613 572854139 /nfs/dbraw/zinc/85/41/39/572854139.db2.gz SRNNWTBWQLNWEI-GRYCIOLGSA-N 1 3 198.354 1.805 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015613 572854143 /nfs/dbraw/zinc/85/41/43/572854143.db2.gz SRNNWTBWQLNWEI-GRYCIOLGSA-N 1 3 198.354 1.805 10 0 ADAEHO CCC[C@H](CN)C[NH+]1C[C@@H](C)[C@H](C)C1 86015149 572854151 /nfs/dbraw/zinc/85/41/51/572854151.db2.gz OFHORDDSWFULJM-IJLUTSLNSA-N 1 3 198.354 1.949 10 0 ADAEHO CNC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86011418 572854212 /nfs/dbraw/zinc/85/42/12/572854212.db2.gz BKOURUZSWBCJFA-GARJFASQSA-N 1 3 184.327 1.430 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011418 572854216 /nfs/dbraw/zinc/85/42/16/572854216.db2.gz BKOURUZSWBCJFA-GARJFASQSA-N 1 3 184.327 1.430 10 0 ADAEHO CNCC[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 86012513 572854447 /nfs/dbraw/zinc/85/44/47/572854447.db2.gz VHNRZPQYFVPXKO-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H](CN)C[NH+]1C[C@@H](C)[C@H](C)C1 86015139 572854519 /nfs/dbraw/zinc/85/45/19/572854519.db2.gz YIYXUXCRUUJOOB-GMTAPVOTSA-N 1 3 184.327 1.559 10 0 ADAEHO CCNC(C)(C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015369 572854735 /nfs/dbraw/zinc/85/47/35/572854735.db2.gz ITVVAXZBCXRXCB-PHIMTYICSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015369 572854738 /nfs/dbraw/zinc/85/47/38/572854738.db2.gz ITVVAXZBCXRXCB-PHIMTYICSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCC[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86012607 572854882 /nfs/dbraw/zinc/85/48/82/572854882.db2.gz XCBZOYRBGJHYFU-UTUOFQBUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNCC(C)(C)C[NH+]1C[C@@H](C)[C@H](C)C1 86012267 572854920 /nfs/dbraw/zinc/85/49/20/572854920.db2.gz KBFHRVAZQKRIJR-GHMZBOCLSA-N 1 3 198.354 1.820 10 0 ADAEHO CCC[C@H](CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015144 572855572 /nfs/dbraw/zinc/85/55/72/572855572.db2.gz OFHORDDSWFULJM-GRYCIOLGSA-N 1 3 198.354 1.949 10 0 ADAEHO CNCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012512 572855101 /nfs/dbraw/zinc/85/51/01/572855101.db2.gz VHNRZPQYFVPXKO-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012512 572855103 /nfs/dbraw/zinc/85/51/03/572855103.db2.gz VHNRZPQYFVPXKO-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)C[NH+]1C[C@H](C)[C@@H](C)C1 86011422 572855163 /nfs/dbraw/zinc/85/51/63/572855163.db2.gz BKOURUZSWBCJFA-DCAQKATOSA-N 1 3 184.327 1.430 10 0 ADAEHO CCNC(C)(C)C[NH+]1C[C@@H](C)[C@H](C)C1 86015371 572855201 /nfs/dbraw/zinc/85/52/01/572855201.db2.gz ITVVAXZBCXRXCB-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO FCCCCN[C@@H]1CCC[NH2+]C1 307961741 572855238 /nfs/dbraw/zinc/85/52/38/572855238.db2.gz MHNCSIGEARUMQU-SECBINFHSA-N 1 3 174.263 1.078 10 0 ADAEHO CCNC(C)(C)C[NH+]1C[C@H](C)[C@@H](C)C1 86015375 572855303 /nfs/dbraw/zinc/85/53/03/572855303.db2.gz ITVVAXZBCXRXCB-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CNCC[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86012514 572855317 /nfs/dbraw/zinc/85/53/17/572855317.db2.gz VHNRZPQYFVPXKO-MXWKQRLJSA-N 1 3 184.327 1.572 10 0 ADAEHO FCCCCN[C@H]1CCC[NH2+]C1 307961742 572855478 /nfs/dbraw/zinc/85/54/78/572855478.db2.gz MHNCSIGEARUMQU-VIFPVBQESA-N 1 3 174.263 1.078 10 0 ADAEHO CCC[C@H](CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015144 572855569 /nfs/dbraw/zinc/85/55/69/572855569.db2.gz OFHORDDSWFULJM-GRYCIOLGSA-N 1 3 198.354 1.949 10 0 ADAEHO C[NH2+]C1(CNC[C@H]2C[C@H]2C)CCC1 308146854 572855597 /nfs/dbraw/zinc/85/55/97/572855597.db2.gz ZOPWVFYVAYHGOC-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[NH2+]C1(CNC[C@@H]2C[C@@H]2C)CCC1 308146855 572855662 /nfs/dbraw/zinc/85/56/62/572855662.db2.gz ZOPWVFYVAYHGOC-UWVGGRQHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H](C)CNC2CC2)C[C@H]1C 86012410 572855700 /nfs/dbraw/zinc/85/57/00/572855700.db2.gz QOCMOVNFHDQUCS-MXWKQRLJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[NH2+]C1(CNC[C@H]2C[C@@H]2C)CCC1 308146857 572855746 /nfs/dbraw/zinc/85/57/46/572855746.db2.gz ZOPWVFYVAYHGOC-VHSXEESVSA-N 1 3 182.311 1.374 10 0 ADAEHO CCNC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86011414 572855856 /nfs/dbraw/zinc/85/58/56/572855856.db2.gz HQGNXZNJAPZWFA-SDDRHHMPSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011414 572855861 /nfs/dbraw/zinc/85/58/61/572855861.db2.gz HQGNXZNJAPZWFA-SDDRHHMPSA-N 1 3 198.354 1.820 10 0 ADAEHO CC(C)[C@H](CN)C[NH+]1C[C@@H](C)[C@H](C)C1 86015618 572855924 /nfs/dbraw/zinc/85/59/24/572855924.db2.gz SRNNWTBWQLNWEI-IJLUTSLNSA-N 1 3 198.354 1.805 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C(C)(C)C 86070459 572855990 /nfs/dbraw/zinc/85/59/90/572855990.db2.gz WHYZJLGXZLQDHB-MRVPVSSYSA-N 1 3 158.289 1.230 10 0 ADAEHO CCNCC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012604 572855961 /nfs/dbraw/zinc/85/59/61/572855961.db2.gz XCBZOYRBGJHYFU-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012604 572855968 /nfs/dbraw/zinc/85/59/68/572855968.db2.gz XCBZOYRBGJHYFU-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H](C)CNC2CC2)C[C@@H]1C 86012408 572856375 /nfs/dbraw/zinc/85/63/75/572856375.db2.gz QOCMOVNFHDQUCS-AXFHLTTASA-N 1 3 196.338 1.715 10 0 ADAEHO CNC[C@H](C)C[NH2+]C(C)(C)C 86070458 572856147 /nfs/dbraw/zinc/85/61/47/572856147.db2.gz WHYZJLGXZLQDHB-QMMMGPOBSA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H](C)CNC2CC2)C[C@@H]1C 86012408 572856379 /nfs/dbraw/zinc/85/63/79/572856379.db2.gz QOCMOVNFHDQUCS-AXFHLTTASA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H](CN)C[NH+]1C[C@H](C)[C@@H](C)C1 86015616 572857027 /nfs/dbraw/zinc/85/70/27/572857027.db2.gz SRNNWTBWQLNWEI-SDDRHHMPSA-N 1 3 198.354 1.805 10 0 ADAEHO C[NH2+]C1(CNC[C@@H]2C[C@H]2C)CCC1 308146859 572856552 /nfs/dbraw/zinc/85/65/52/572856552.db2.gz ZOPWVFYVAYHGOC-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO CNCC(C)(C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86012265 572857062 /nfs/dbraw/zinc/85/70/62/572857062.db2.gz KBFHRVAZQKRIJR-PHIMTYICSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012265 572857064 /nfs/dbraw/zinc/85/70/64/572857064.db2.gz KBFHRVAZQKRIJR-PHIMTYICSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86011413 572856846 /nfs/dbraw/zinc/85/68/46/572856846.db2.gz HQGNXZNJAPZWFA-UTUOFQBUSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011413 572856851 /nfs/dbraw/zinc/85/68/51/572856851.db2.gz HQGNXZNJAPZWFA-UTUOFQBUSA-N 1 3 198.354 1.820 10 0 ADAEHO CNCC(C)(C)C[NH+]1C[C@H](C)[C@@H](C)C1 86012266 572857276 /nfs/dbraw/zinc/85/72/76/572857276.db2.gz KBFHRVAZQKRIJR-QWRGUYRKSA-N 1 3 198.354 1.820 10 0 ADAEHO CCNCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012605 572857486 /nfs/dbraw/zinc/85/74/86/572857486.db2.gz XCBZOYRBGJHYFU-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012605 572857489 /nfs/dbraw/zinc/85/74/89/572857489.db2.gz XCBZOYRBGJHYFU-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015134 572857565 /nfs/dbraw/zinc/85/75/65/572857565.db2.gz YIYXUXCRUUJOOB-OUAUKWLOSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015134 572857569 /nfs/dbraw/zinc/85/75/69/572857569.db2.gz YIYXUXCRUUJOOB-OUAUKWLOSA-N 1 3 184.327 1.559 10 0 ADAEHO CCC[C@@H](CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015141 572857619 /nfs/dbraw/zinc/85/76/19/572857619.db2.gz OFHORDDSWFULJM-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015141 572857625 /nfs/dbraw/zinc/85/76/25/572857625.db2.gz OFHORDDSWFULJM-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCNC[C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 86011416 572857686 /nfs/dbraw/zinc/85/76/86/572857686.db2.gz HQGNXZNJAPZWFA-QJPTWQEYSA-N 1 3 198.354 1.820 10 0 ADAEHO CCC[NH2+]C(C)(C)C[C@H](C)N 75543894 572857881 /nfs/dbraw/zinc/85/78/81/572857881.db2.gz ZSXVXTYIYICOIO-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO C/C=C\C[NH2+]C[C@@H](C)CN(C)C 307962947 572858166 /nfs/dbraw/zinc/85/81/66/572858166.db2.gz NNXAUPRYWMFQNO-WWQCOOJYSA-N 1 3 170.300 1.350 10 0 ADAEHO C/C=C\CNC[C@@H](C)C[NH+](C)C 307962947 572858169 /nfs/dbraw/zinc/85/81/69/572858169.db2.gz NNXAUPRYWMFQNO-WWQCOOJYSA-N 1 3 170.300 1.350 10 0 ADAEHO C[N@@H+]1CC(C)(C)NC[C@@H]2CCCC[C@H]21 257586225 572862604 /nfs/dbraw/zinc/86/26/04/572862604.db2.gz XLWYNYJKVSZBJY-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+]C(C)(C)C[C@@H](C)N 75543892 572858660 /nfs/dbraw/zinc/85/86/60/572858660.db2.gz ZSXVXTYIYICOIO-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO C[N@H+]1CC(C)(C)NC[C@@H]2CCCC[C@H]21 257586225 572862608 /nfs/dbraw/zinc/86/26/08/572862608.db2.gz XLWYNYJKVSZBJY-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)C[C@@H](C[NH3+])CN1CCC1 308153877 572858994 /nfs/dbraw/zinc/85/89/94/572858994.db2.gz SHNVUGLIKWHSLQ-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@H+]1CC(C)(C)NC[C@@H]2CCCC[C@@H]21 257586224 572863086 /nfs/dbraw/zinc/86/30/86/572863086.db2.gz XLWYNYJKVSZBJY-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C/C=C/C[NH2+]C[C@H](C)CN(C)C 307962946 572859567 /nfs/dbraw/zinc/85/95/67/572859567.db2.gz NNXAUPRYWMFQNO-PORFMDCZSA-N 1 3 170.300 1.350 10 0 ADAEHO C/C=C/CNC[C@H](C)C[NH+](C)C 307962946 572859570 /nfs/dbraw/zinc/85/95/70/572859570.db2.gz NNXAUPRYWMFQNO-PORFMDCZSA-N 1 3 170.300 1.350 10 0 ADAEHO COC(C)(C)[C@H](C)[N@H+](C)C[C@H](C)N 308148309 572859589 /nfs/dbraw/zinc/85/95/89/572859589.db2.gz PJQCDKLGTMPSML-IUCAKERBSA-N 1 3 188.315 1.079 10 0 ADAEHO COC(C)(C)[C@H](C)[N@@H+](C)C[C@H](C)N 308148309 572859593 /nfs/dbraw/zinc/85/95/93/572859593.db2.gz PJQCDKLGTMPSML-IUCAKERBSA-N 1 3 188.315 1.079 10 0 ADAEHO CN[C@@H](CC[NH3+])c1ccccc1 75546366 572859641 /nfs/dbraw/zinc/85/96/41/572859641.db2.gz LTQOBQXUBXPNGL-JTQLQIEISA-N 1 3 164.252 1.296 10 0 ADAEHO CC(C)[C@@H]1C[NH2+]CCN2CCCC[C@@H]12 257586216 572864440 /nfs/dbraw/zinc/86/44/40/572864440.db2.gz XAFWLYQDHHNNHA-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO COC(C)(C)[C@@H](C)[N@H+](C)C[C@H](C)N 308148307 572859696 /nfs/dbraw/zinc/85/96/96/572859696.db2.gz PJQCDKLGTMPSML-DTWKUNHWSA-N 1 3 188.315 1.079 10 0 ADAEHO COC(C)(C)[C@@H](C)[N@@H+](C)C[C@H](C)N 308148307 572859700 /nfs/dbraw/zinc/85/97/00/572859700.db2.gz PJQCDKLGTMPSML-DTWKUNHWSA-N 1 3 188.315 1.079 10 0 ADAEHO CN[C@H](CC[NH3+])c1ccccc1 75546369 572859722 /nfs/dbraw/zinc/85/97/22/572859722.db2.gz LTQOBQXUBXPNGL-SNVBAGLBSA-N 1 3 164.252 1.296 10 0 ADAEHO CC(C)(C)C[C@H](C[NH3+])CN1CCC1 308153878 572859889 /nfs/dbraw/zinc/85/98/89/572859889.db2.gz SHNVUGLIKWHSLQ-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C/C=C/C[NH2+]C[C@@H](C)CN(C)C 307962844 572860060 /nfs/dbraw/zinc/86/00/60/572860060.db2.gz NNXAUPRYWMFQNO-BRAIEQGRSA-N 1 3 170.300 1.350 10 0 ADAEHO C/C=C/CNC[C@@H](C)C[NH+](C)C 307962844 572860061 /nfs/dbraw/zinc/86/00/61/572860061.db2.gz NNXAUPRYWMFQNO-BRAIEQGRSA-N 1 3 170.300 1.350 10 0 ADAEHO CC[C@@H]1CNC[C@@H]2CCCC[C@H]2[N@@H+]1C 257585541 572860083 /nfs/dbraw/zinc/86/00/83/572860083.db2.gz NHJPQJZNWNSVJA-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CNC[C@@H]2CCCC[C@H]2[N@H+]1C 257585541 572860086 /nfs/dbraw/zinc/86/00/86/572860086.db2.gz NHJPQJZNWNSVJA-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO COC(C)(C)[C@@H](C)[N@H+](C)C[C@@H](C)N 308148310 572860175 /nfs/dbraw/zinc/86/01/75/572860175.db2.gz PJQCDKLGTMPSML-RKDXNWHRSA-N 1 3 188.315 1.079 10 0 ADAEHO COC(C)(C)[C@@H](C)[N@@H+](C)C[C@@H](C)N 308148310 572860179 /nfs/dbraw/zinc/86/01/79/572860179.db2.gz PJQCDKLGTMPSML-RKDXNWHRSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@@H]1CNC[C@H]2CCCC[C@H]2[N@@H+]1C 257585540 572861168 /nfs/dbraw/zinc/86/11/68/572861168.db2.gz NHJPQJZNWNSVJA-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CNC[C@H]2CCCC[C@H]2[N@H+]1C 257585540 572861175 /nfs/dbraw/zinc/86/11/75/572861175.db2.gz NHJPQJZNWNSVJA-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H]1C[NH2+]CCN2CCCC[C@@H]12 257586215 572864483 /nfs/dbraw/zinc/86/44/83/572864483.db2.gz XAFWLYQDHHNNHA-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H]1C[NH2+]C[C@H]1CCCNC1 308154264 572862096 /nfs/dbraw/zinc/86/20/96/572862096.db2.gz SKWODSXNPBXRTF-DCAQKATOSA-N 1 3 182.311 1.232 10 0 ADAEHO C[C@H]1C[C@@H]1C[NH2+]C[C@H]1CCCNC1 308154265 572862875 /nfs/dbraw/zinc/86/28/75/572862875.db2.gz SKWODSXNPBXRTF-GARJFASQSA-N 1 3 182.311 1.232 10 0 ADAEHO C[N@@H+]1CC(C)(C)NC[C@@H]2CCCC[C@@H]21 257586224 572863085 /nfs/dbraw/zinc/86/30/85/572863085.db2.gz XLWYNYJKVSZBJY-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)C[NH2+]CCC1CC1 86070796 572865745 /nfs/dbraw/zinc/86/57/45/572865745.db2.gz LVSAULRKBDQRNY-VIFPVBQESA-N 1 3 170.300 1.232 10 0 ADAEHO CCCC[NH2+]C[C@H](C)CNC 86070501 572865769 /nfs/dbraw/zinc/86/57/69/572865769.db2.gz CMLWZTAMJLUTRK-SECBINFHSA-N 1 3 158.289 1.232 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C[C@H](C)C(C)C 86070782 572863651 /nfs/dbraw/zinc/86/36/51/572863651.db2.gz FKVXVYUOMNPICW-MNOVXSKESA-N 1 3 186.343 1.724 10 0 ADAEHO C[NH2+]C[C@H](C)CN[C@H]1CC1(C)C 86070634 572863702 /nfs/dbraw/zinc/86/37/02/572863702.db2.gz DLVLQISFFLQHRS-IUCAKERBSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+]C[C@H](C)CNCCc1ccco1 86070536 572863739 /nfs/dbraw/zinc/86/37/39/572863739.db2.gz WIKWTJMCHCBRHV-JTQLQIEISA-N 1 3 196.294 1.267 10 0 ADAEHO CCC[C@@H]1CCC[N@@H+]1CCCN 75560506 572864030 /nfs/dbraw/zinc/86/40/30/572864030.db2.gz NTDUIBZHUXWCQW-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[C@@H]1CCC[N@H+]1CCCN 75560506 572864035 /nfs/dbraw/zinc/86/40/35/572864035.db2.gz NTDUIBZHUXWCQW-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[C@H]1CCCN1CC[NH3+] 75560558 572864154 /nfs/dbraw/zinc/86/41/54/572864154.db2.gz FEHFYELMESZZGV-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CNC[C@@H](C)C[NH2+]CCC1CC1 86070797 572864386 /nfs/dbraw/zinc/86/43/86/572864386.db2.gz LVSAULRKBDQRNY-SECBINFHSA-N 1 3 170.300 1.232 10 0 ADAEHO C/C=C\C[NH2+]CCCN(C)C(C)C 308154057 572864570 /nfs/dbraw/zinc/86/45/70/572864570.db2.gz NJGUAIUPBCZHRJ-WAYWQWQTSA-N 1 3 184.327 1.882 10 0 ADAEHO CNC[C@H](C)C[NH2+]C1(C)CCCC1 86070786 572864653 /nfs/dbraw/zinc/86/46/53/572864653.db2.gz VMZBWCNCMYFKOE-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C1(C)CCCC1 86070787 572864734 /nfs/dbraw/zinc/86/47/34/572864734.db2.gz VMZBWCNCMYFKOE-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@H]1CCC[N@@H+]1CCCN 75560511 572864846 /nfs/dbraw/zinc/86/48/46/572864846.db2.gz NTDUIBZHUXWCQW-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[C@H]1CCC[N@H+]1CCCN 75560511 572864850 /nfs/dbraw/zinc/86/48/50/572864850.db2.gz NTDUIBZHUXWCQW-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC(C)(C)CCN1CC[C@@](C)([NH3+])C1 405787235 572864879 /nfs/dbraw/zinc/86/48/79/572864879.db2.gz JOCSUHCPQZPUHQ-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CNC[C@H](C)C[NH2+]C[C@H](C)C(C)C 86070778 572865095 /nfs/dbraw/zinc/86/50/95/572865095.db2.gz FKVXVYUOMNPICW-QWRGUYRKSA-N 1 3 186.343 1.724 10 0 ADAEHO C[NH2+]C[C@@H](C)CNCCc1ccco1 86070537 572865206 /nfs/dbraw/zinc/86/52/06/572865206.db2.gz WIKWTJMCHCBRHV-SNVBAGLBSA-N 1 3 196.294 1.267 10 0 ADAEHO C[NH2+]C[C@@H](C)CN[C@H]1CC1(C)C 86070638 572865219 /nfs/dbraw/zinc/86/52/19/572865219.db2.gz DLVLQISFFLQHRS-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[C@H](C)[NH2+]C(C)(C)C[C@@H](C)N 75563096 572865812 /nfs/dbraw/zinc/86/58/12/572865812.db2.gz RIHGEIMDTCIVNX-BDAKNGLRSA-N 1 3 172.316 1.890 10 0 ADAEHO CCCC[NH2+]C[C@@H](C)CNC 86070500 572865833 /nfs/dbraw/zinc/86/58/33/572865833.db2.gz CMLWZTAMJLUTRK-VIFPVBQESA-N 1 3 158.289 1.232 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C[C@@H](C)C(C)C 86070784 572865923 /nfs/dbraw/zinc/86/59/23/572865923.db2.gz FKVXVYUOMNPICW-GHMZBOCLSA-N 1 3 186.343 1.724 10 0 ADAEHO C[NH2+]C[C@@H](C)CN[C@@H]1CC1(C)C 86070632 572866032 /nfs/dbraw/zinc/86/60/32/572866032.db2.gz DLVLQISFFLQHRS-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO CNC[C@H](C)C[NH2+]C[C@@H](C)C(C)C 86070781 572866062 /nfs/dbraw/zinc/86/60/62/572866062.db2.gz FKVXVYUOMNPICW-WDEREUQCSA-N 1 3 186.343 1.724 10 0 ADAEHO CC[C@H]1CC[N@@H+](C(C)C)C[C@@H]1N 77264093 572867374 /nfs/dbraw/zinc/86/73/74/572867374.db2.gz OXXJEJAUQFXXFH-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H]1CC[N@H+](C(C)C)C[C@@H]1N 77264093 572867377 /nfs/dbraw/zinc/86/73/77/572867377.db2.gz OXXJEJAUQFXXFH-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCCC1(N(C)C)CC[NH2+]CC1 118722929 572867039 /nfs/dbraw/zinc/86/70/39/572867039.db2.gz SCQYUWFSSXYDHX-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](N)C2)CCO1 235380096 572867175 /nfs/dbraw/zinc/86/71/75/572867175.db2.gz BFLAEYQXWCTWLL-GWOFURMSSA-N 1 3 198.310 1.023 10 0 ADAEHO CC[C@@H](C)[NH2+]C(C)(C)C[C@@H](C)N 75563092 572867196 /nfs/dbraw/zinc/86/71/96/572867196.db2.gz RIHGEIMDTCIVNX-RKDXNWHRSA-N 1 3 172.316 1.890 10 0 ADAEHO CC[C@@H](C)[NH2+]C(C)(C)C[C@H](C)N 75563098 572867806 /nfs/dbraw/zinc/86/78/06/572867806.db2.gz RIHGEIMDTCIVNX-DTWKUNHWSA-N 1 3 172.316 1.890 10 0 ADAEHO CNCC(C)(C)C[NH2+]C(C)(C)C 75563054 572868090 /nfs/dbraw/zinc/86/80/90/572868090.db2.gz UYDGICYXHJBAMS-UHFFFAOYSA-N 1 3 172.316 1.620 10 0 ADAEHO CC[C@H](C)[NH2+]C(C)(C)C[C@H](C)N 75563099 572868489 /nfs/dbraw/zinc/86/84/89/572868489.db2.gz RIHGEIMDTCIVNX-IUCAKERBSA-N 1 3 172.316 1.890 10 0 ADAEHO C[NH2+]C1(CNCC(C)C)CCC1 307966586 572868709 /nfs/dbraw/zinc/86/87/09/572868709.db2.gz RMWYKIHCOWKRSE-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO [NH3+][C@H]1C=C[C@H](CNCc2ccco2)C1 86094737 572868922 /nfs/dbraw/zinc/86/89/22/572868922.db2.gz OOMLTYLSLWGUID-UWVGGRQHSA-N 1 3 192.262 1.273 10 0 ADAEHO [NH3+][C@H]1C=C[C@@H](CNCc2ccco2)C1 86094741 572868945 /nfs/dbraw/zinc/86/89/45/572868945.db2.gz OOMLTYLSLWGUID-ZJUUUORDSA-N 1 3 192.262 1.273 10 0 ADAEHO [NH3+][C@@H]1C=C[C@@H](CNCc2ccco2)C1 86094736 572868993 /nfs/dbraw/zinc/86/89/93/572868993.db2.gz OOMLTYLSLWGUID-NXEZZACHSA-N 1 3 192.262 1.273 10 0 ADAEHO [NH3+][C@@H]1C=C[C@H](CNCc2ccco2)C1 86094735 572869141 /nfs/dbraw/zinc/86/91/41/572869141.db2.gz OOMLTYLSLWGUID-VHSXEESVSA-N 1 3 192.262 1.273 10 0 ADAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1ccco1 257609174 572871049 /nfs/dbraw/zinc/87/10/49/572871049.db2.gz WHBSXVODVMHPFJ-GXSJLCMTSA-N 1 3 194.278 1.101 10 0 ADAEHO CCC[NH2+]C[C@@H]1CN2CCC1CC2 75576136 572871391 /nfs/dbraw/zinc/87/13/91/572871391.db2.gz BSPNMNDTVUGGFJ-LLVKDONJSA-N 1 3 182.311 1.328 10 0 ADAEHO CCNCCC[NH2+]CCCCF 307967053 572871734 /nfs/dbraw/zinc/87/17/34/572871734.db2.gz SFBYCZODOSPIRY-UHFFFAOYSA-N 1 3 176.279 1.325 10 0 ADAEHO CC[NH2+]CCCNCCCCF 307967053 572871739 /nfs/dbraw/zinc/87/17/39/572871739.db2.gz SFBYCZODOSPIRY-UHFFFAOYSA-N 1 3 176.279 1.325 10 0 ADAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1ccco1 257609175 572871906 /nfs/dbraw/zinc/87/19/06/572871906.db2.gz WHBSXVODVMHPFJ-MWLCHTKSSA-N 1 3 194.278 1.101 10 0 ADAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1C1CCCCC1 257609100 572872340 /nfs/dbraw/zinc/87/23/40/572872340.db2.gz QDBVONWYKYEDPA-WHOHXGKFSA-N 1 3 194.322 1.454 10 0 ADAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1C1CCCCC1 257609100 572872342 /nfs/dbraw/zinc/87/23/42/572872342.db2.gz QDBVONWYKYEDPA-WHOHXGKFSA-N 1 3 194.322 1.454 10 0 ADAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1C1CCCCC1 257609098 572872323 /nfs/dbraw/zinc/87/23/23/572872323.db2.gz QDBVONWYKYEDPA-USZNOCQGSA-N 1 3 194.322 1.454 10 0 ADAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1C1CCCCC1 257609098 572872324 /nfs/dbraw/zinc/87/23/24/572872324.db2.gz QDBVONWYKYEDPA-USZNOCQGSA-N 1 3 194.322 1.454 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH3+])C1c1ccccc1 75579945 572873059 /nfs/dbraw/zinc/87/30/59/572873059.db2.gz OCDODMYJWGDSLG-GHMZBOCLSA-N 1 3 190.290 1.609 10 0 ADAEHO N[C@H]1CCC[C@H]([NH3+])C1c1ccccc1 75579944 572872651 /nfs/dbraw/zinc/87/26/51/572872651.db2.gz OCDODMYJWGDSLG-QWRGUYRKSA-N 1 3 190.290 1.609 10 0 ADAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([NH3+])C1 50285731 572872913 /nfs/dbraw/zinc/87/29/13/572872913.db2.gz COWSOIJRXBCLHU-KXUCPTDWSA-N 1 3 170.300 1.489 10 0 ADAEHO C[N@@H+]1CCC[C@@H](N)[C@@H](C(C)(C)C)C1 257608964 572872993 /nfs/dbraw/zinc/87/29/93/572872993.db2.gz FIGFWTGTSYLLIV-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+]1CCC[C@@H](N)[C@@H](C(C)(C)C)C1 257608964 572872998 /nfs/dbraw/zinc/87/29/98/572872998.db2.gz FIGFWTGTSYLLIV-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+]1CCC[C@@H](N)[C@H](C(C)(C)C)C1 257608963 572873478 /nfs/dbraw/zinc/87/34/78/572873478.db2.gz FIGFWTGTSYLLIV-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@H+]1CCC[C@@H](N)[C@H](C(C)(C)C)C1 257608963 572873482 /nfs/dbraw/zinc/87/34/82/572873482.db2.gz FIGFWTGTSYLLIV-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H]1CC[C@H](CN)[C@H]([NH3+])C1 50285729 572873669 /nfs/dbraw/zinc/87/36/69/572873669.db2.gz COWSOIJRXBCLHU-OPRDCNLKSA-N 1 3 170.300 1.489 10 0 ADAEHO CCC[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1N 77271682 572875763 /nfs/dbraw/zinc/87/57/63/572875763.db2.gz MPJXRMNDHMCMKO-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H]1CC[N@H+](C(C)C)C[C@@H]1N 77271682 572875765 /nfs/dbraw/zinc/87/57/65/572875765.db2.gz MPJXRMNDHMCMKO-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1N 77271675 572875795 /nfs/dbraw/zinc/87/57/95/572875795.db2.gz IVDJCKYFEWBVHD-QWRGUYRKSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1N 77271675 572875799 /nfs/dbraw/zinc/87/57/99/572875799.db2.gz IVDJCKYFEWBVHD-QWRGUYRKSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1N 77271677 572875946 /nfs/dbraw/zinc/87/59/46/572875946.db2.gz IVDJCKYFEWBVHD-MNOVXSKESA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](C(C)C)C[C@@H]1N 77271677 572875950 /nfs/dbraw/zinc/87/59/50/572875950.db2.gz IVDJCKYFEWBVHD-MNOVXSKESA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CCCCCF 308157649 572876843 /nfs/dbraw/zinc/87/68/43/572876843.db2.gz UZXUEZCIGUPAND-SNVBAGLBSA-N 1 3 190.306 1.795 10 0 ADAEHO CCC[C@H]1CC[N@@H+](C(C)C)C[C@@H]1N 77271686 572876938 /nfs/dbraw/zinc/87/69/38/572876938.db2.gz MPJXRMNDHMCMKO-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H]1CC[N@H+](C(C)C)C[C@@H]1N 77271686 572876942 /nfs/dbraw/zinc/87/69/42/572876942.db2.gz MPJXRMNDHMCMKO-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CCCCCF 308157647 572877380 /nfs/dbraw/zinc/87/73/80/572877380.db2.gz UZXUEZCIGUPAND-JTQLQIEISA-N 1 3 190.306 1.795 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+]CCCCF 307971724 572880851 /nfs/dbraw/zinc/88/08/51/572880851.db2.gz YIEOZSRKENWHPW-BDAKNGLRSA-N 1 3 176.279 1.309 10 0 ADAEHO CCCC(=[NH2+])N(C)C[C@H]1CCCN1C 86190269 572882717 /nfs/dbraw/zinc/88/27/17/572882717.db2.gz HZFDCPIKMXUGDA-SNVBAGLBSA-N 1 3 197.326 1.790 10 0 ADAEHO CCN1CCC[C@@H]1CN(C)C(C)=[NH2+] 86190298 572880975 /nfs/dbraw/zinc/88/09/75/572880975.db2.gz XEWDTKXNMDLZSE-SNVBAGLBSA-N 1 3 183.299 1.400 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+]CCCCF 307971729 572881022 /nfs/dbraw/zinc/88/10/22/572881022.db2.gz YIEOZSRKENWHPW-IUCAKERBSA-N 1 3 176.279 1.309 10 0 ADAEHO C[C@H](C[NH2+]C/C=C/Cl)CN(C)C 307972298 572883118 /nfs/dbraw/zinc/88/31/18/572883118.db2.gz YUFAVUFHJKHAPC-XNPJLODASA-N 1 3 190.718 1.526 10 0 ADAEHO C[C@@H](C[NH2+]C/C=C\Cl)CN(C)C 307972296 572881182 /nfs/dbraw/zinc/88/11/82/572881182.db2.gz YUFAVUFHJKHAPC-WBSSQXGSSA-N 1 3 190.718 1.526 10 0 ADAEHO CCC(=[NH2+])N(C)C[C@@H]1CCCN1CC 86190292 572881368 /nfs/dbraw/zinc/88/13/68/572881368.db2.gz OUEVWKKSHSZAHA-JTQLQIEISA-N 1 3 197.326 1.790 10 0 ADAEHO CN(C[C@H]1CCCN1C)C(=[NH2+])C1CC1 86190284 572881452 /nfs/dbraw/zinc/88/14/52/572881452.db2.gz KAXXAWMJJDUTMX-SNVBAGLBSA-N 1 3 195.310 1.400 10 0 ADAEHO CCCC(=[NH2+])N(C)C[C@@H]1CCCN1C 86190268 572881484 /nfs/dbraw/zinc/88/14/84/572881484.db2.gz HZFDCPIKMXUGDA-JTQLQIEISA-N 1 3 197.326 1.790 10 0 ADAEHO CCC(=[NH2+])N(C)C[C@H]1CCCN1C 86190275 572882256 /nfs/dbraw/zinc/88/22/56/572882256.db2.gz GLHJUPBBQIDIAA-SECBINFHSA-N 1 3 183.299 1.400 10 0 ADAEHO CC(C)C(=[NH2+])N(C)C[C@@H]1CCCN1C 86190278 572882319 /nfs/dbraw/zinc/88/23/19/572882319.db2.gz KTBAYOJWIVVUKX-JTQLQIEISA-N 1 3 197.326 1.646 10 0 ADAEHO C[C@H](C[NH2+]C/C=C\Cl)CN(C)C 307972299 572882420 /nfs/dbraw/zinc/88/24/20/572882420.db2.gz YUFAVUFHJKHAPC-XRVBUDJMSA-N 1 3 190.718 1.526 10 0 ADAEHO CC(C)C(=[NH2+])N(C)C[C@H]1CCCN1C 86190279 572882453 /nfs/dbraw/zinc/88/24/53/572882453.db2.gz KTBAYOJWIVVUKX-SNVBAGLBSA-N 1 3 197.326 1.646 10 0 ADAEHO C[C@@H](CC(F)F)NC1CC([NH3+])C1 308165693 572882857 /nfs/dbraw/zinc/88/28/57/572882857.db2.gz UPSODWOHRQGCQB-VTSJMVTISA-N 1 3 178.226 1.109 10 0 ADAEHO C[C@@H](C[NH2+]C/C=C/Cl)CN(C)C 307972014 572882986 /nfs/dbraw/zinc/88/29/86/572882986.db2.gz YUFAVUFHJKHAPC-MOVJSRMASA-N 1 3 190.718 1.526 10 0 ADAEHO C[C@@H](N)[C@H](C)C[NH2+]CCCCF 307971732 572883094 /nfs/dbraw/zinc/88/30/94/572883094.db2.gz YIEOZSRKENWHPW-RKDXNWHRSA-N 1 3 176.279 1.309 10 0 ADAEHO CCC(=[NH2+])N(C)C[C@H]1CCCN1CC 86190294 572883668 /nfs/dbraw/zinc/88/36/68/572883668.db2.gz OUEVWKKSHSZAHA-SNVBAGLBSA-N 1 3 197.326 1.790 10 0 ADAEHO CCC(=[NH2+])N(C)C[C@@H]1CCCN1C 86190271 572883789 /nfs/dbraw/zinc/88/37/89/572883789.db2.gz GLHJUPBBQIDIAA-VIFPVBQESA-N 1 3 183.299 1.400 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CCN[C@@H](C)C1 229541207 572884152 /nfs/dbraw/zinc/88/41/52/572884152.db2.gz WSDCGVVBLQMADT-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CCN[C@@H](C)C1 229541207 572884154 /nfs/dbraw/zinc/88/41/54/572884154.db2.gz WSDCGVVBLQMADT-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H](CC(F)F)NC1CC([NH3+])C1 308165688 572884219 /nfs/dbraw/zinc/88/42/19/572884219.db2.gz UPSODWOHRQGCQB-GRQBKTHUSA-N 1 3 178.226 1.109 10 0 ADAEHO CC[C@H](N)CC[NH2+]CCCCF 307968515 572884635 /nfs/dbraw/zinc/88/46/35/572884635.db2.gz VBKCIXQTKXOEGB-VIFPVBQESA-N 1 3 176.279 1.453 10 0 ADAEHO CC[C@@H](N)CC[NH2+]CCCCF 307968514 572884859 /nfs/dbraw/zinc/88/48/59/572884859.db2.gz VBKCIXQTKXOEGB-SECBINFHSA-N 1 3 176.279 1.453 10 0 ADAEHO FCCC[NH2+][C@H]1CCCNCC1 307969247 572885340 /nfs/dbraw/zinc/88/53/40/572885340.db2.gz VYYCEVSJSDYNCP-VIFPVBQESA-N 1 3 174.263 1.078 10 0 ADAEHO FCCCN[C@H]1CCC[NH2+]CC1 307969247 572885343 /nfs/dbraw/zinc/88/53/43/572885343.db2.gz VYYCEVSJSDYNCP-VIFPVBQESA-N 1 3 174.263 1.078 10 0 ADAEHO CC[C@H](N)C[N@H+](C)C(C)(C)COC 308167765 572885467 /nfs/dbraw/zinc/88/54/67/572885467.db2.gz AJKTWESKKCJGGA-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](N)C[N@@H+](C)C(C)(C)COC 308167765 572885470 /nfs/dbraw/zinc/88/54/70/572885470.db2.gz AJKTWESKKCJGGA-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+]C1(CNCC2CC2)CCC1 307969058 572886105 /nfs/dbraw/zinc/88/61/05/572886105.db2.gz VTULKBGVCHZEIH-UHFFFAOYSA-N 1 3 168.284 1.128 10 0 ADAEHO FCCC[NH2+][C@@H]1CCCNCC1 307969246 572886420 /nfs/dbraw/zinc/88/64/20/572886420.db2.gz VYYCEVSJSDYNCP-SECBINFHSA-N 1 3 174.263 1.078 10 0 ADAEHO FCCCN[C@@H]1CCC[NH2+]CC1 307969246 572886426 /nfs/dbraw/zinc/88/64/26/572886426.db2.gz VYYCEVSJSDYNCP-SECBINFHSA-N 1 3 174.263 1.078 10 0 ADAEHO CCCC[NH2+]C[C@H](C)CN(C)C 307970491 572887540 /nfs/dbraw/zinc/88/75/40/572887540.db2.gz WYIXQYSXSWJSNA-JTQLQIEISA-N 1 3 172.316 1.574 10 0 ADAEHO CCCC[NH2+]C[C@@H](C)CN(C)C 307970492 572887565 /nfs/dbraw/zinc/88/75/65/572887565.db2.gz WYIXQYSXSWJSNA-SNVBAGLBSA-N 1 3 172.316 1.574 10 0 ADAEHO NCC1(C[NH2+]CCCF)CCCC1 308169904 572889071 /nfs/dbraw/zinc/88/90/71/572889071.db2.gz CBKGIFNWFXGJQF-UHFFFAOYSA-N 1 3 188.290 1.455 10 0 ADAEHO C[C@H]1CCN(C)C[C@@]2(CC[NH2+]C2)C1 257615279 572892715 /nfs/dbraw/zinc/89/27/15/572892715.db2.gz ZMRVCCMRCBZPGG-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@@H](C)CN(CC)C[C@@H](C)C(N)=[NH2+] 50424925 572892751 /nfs/dbraw/zinc/89/27/51/572892751.db2.gz AKIITGIMTTUTDZ-NXEZZACHSA-N 1 3 199.342 1.926 10 0 ADAEHO C[C@@H]1CCN(C)C[C@@]2(CC[NH2+]C2)C1 257615278 572892863 /nfs/dbraw/zinc/89/28/63/572892863.db2.gz ZMRVCCMRCBZPGG-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]CCCN)C1 235389621 572893801 /nfs/dbraw/zinc/89/38/01/572893801.db2.gz NDOWRLXFPXGPAG-CMPLNLGQSA-N 1 3 196.338 1.917 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H](C)[C@H](C)CN 252593336 572896521 /nfs/dbraw/zinc/89/65/21/572896521.db2.gz FSMBUFZUSQYJLN-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H](C)[C@H](C)CN 252593336 572896524 /nfs/dbraw/zinc/89/65/24/572896524.db2.gz FSMBUFZUSQYJLN-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H]([NH3+])CCNCCC(F)F 308163191 572896624 /nfs/dbraw/zinc/89/66/24/572896624.db2.gz SMENLIHVYMTMSL-ZETCQYMHSA-N 1 3 180.242 1.359 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C(C)(C)C1CC1 235393799 572897140 /nfs/dbraw/zinc/89/71/40/572897140.db2.gz BQEZRPYKYXTYLP-KOLCDFICSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C(C)(C)C1CC1 235393799 572897143 /nfs/dbraw/zinc/89/71/43/572897143.db2.gz BQEZRPYKYXTYLP-KOLCDFICSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1(C)CCC1 235394479 572897723 /nfs/dbraw/zinc/89/77/23/572897723.db2.gz VUNIWVSLINREJP-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1(C)CCC1 235394479 572897728 /nfs/dbraw/zinc/89/77/28/572897728.db2.gz VUNIWVSLINREJP-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1(C)CCC1 235394479 572897731 /nfs/dbraw/zinc/89/77/31/572897731.db2.gz VUNIWVSLINREJP-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CCCC1CN(CC2(C[NH3+])CC2)C1 308175665 572897904 /nfs/dbraw/zinc/89/79/04/572897904.db2.gz AIQLMKFJABWONZ-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO CCCC1C[NH+](CC2(CN)CC2)C1 308175665 572897906 /nfs/dbraw/zinc/89/79/06/572897906.db2.gz AIQLMKFJABWONZ-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO C[NH2+]C[C@@H](C)CNC1C(C)(C)C1(C)C 86241129 572898308 /nfs/dbraw/zinc/89/83/08/572898308.db2.gz AZYPZFILVVCVAH-SECBINFHSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@H](CN)C[NH2+]CC1C(C)(C)C1(C)C 86240997 572898313 /nfs/dbraw/zinc/89/83/13/572898313.db2.gz YSPLNRULWFLVSD-SECBINFHSA-N 1 3 198.354 1.853 10 0 ADAEHO C[C@H]([NH3+])CCNC1C(C)(C)C1(C)C 86241216 572898379 /nfs/dbraw/zinc/89/83/79/572898379.db2.gz NTNRLDTXSKWGDS-QMMMGPOBSA-N 1 3 184.327 1.748 10 0 ADAEHO C[NH2+][C@H](C)CNCC1C(C)(C)C1(C)C 86240992 572898581 /nfs/dbraw/zinc/89/85/81/572898581.db2.gz HABCAADWFKVVFY-SECBINFHSA-N 1 3 198.354 1.866 10 0 ADAEHO C[NH2+][C@@H](C)CNCC1C(C)(C)C1(C)C 86240991 572898606 /nfs/dbraw/zinc/89/86/06/572898606.db2.gz HABCAADWFKVVFY-VIFPVBQESA-N 1 3 198.354 1.866 10 0 ADAEHO C[NH2+]CCCNC1C(C)(C)C1(C)C 86241139 572898663 /nfs/dbraw/zinc/89/86/63/572898663.db2.gz KXLGWNZYPHQSSO-UHFFFAOYSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H](CN)C[NH2+]C1C(C)(C)C1(C)C 86241116 572898832 /nfs/dbraw/zinc/89/88/32/572898832.db2.gz YWPMRWOSCWLJLA-MRVPVSSYSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H](C)[C@H](C)CN 252593335 572898954 /nfs/dbraw/zinc/89/89/54/572898954.db2.gz FSMBUFZUSQYJLN-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](CN)C[NH2+]C1C(C)(C)C1(C)C 86241115 572898957 /nfs/dbraw/zinc/89/89/57/572898957.db2.gz YWPMRWOSCWLJLA-QMMMGPOBSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H](C)[C@H](C)CN 252593335 572898958 /nfs/dbraw/zinc/89/89/58/572898958.db2.gz FSMBUFZUSQYJLN-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1C(C)(C)C1(C)C 86241157 572899143 /nfs/dbraw/zinc/89/91/43/572899143.db2.gz FBHXSOXCJNQJSF-VIFPVBQESA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@@H]([NH3+])CCNC1C(C)(C)C1(C)C 86241217 572899166 /nfs/dbraw/zinc/89/91/66/572899166.db2.gz NTNRLDTXSKWGDS-MRVPVSSYSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[NH2+]CCNCC1C(C)(C)C1(C)C 86241069 572899009 /nfs/dbraw/zinc/89/90/09/572899009.db2.gz ZFOZPQFFKHBHLF-UHFFFAOYSA-N 1 3 198.354 1.868 10 0 ADAEHO CC1(C)C([NH2+]CCCN)C1(C)C 86241214 572899210 /nfs/dbraw/zinc/89/92/10/572899210.db2.gz OFQWOCLPWNMPDJ-UHFFFAOYSA-N 1 3 170.300 1.359 10 0 ADAEHO CC1(C)C(NCCC[NH3+])C1(C)C 86241214 572899212 /nfs/dbraw/zinc/89/92/12/572899212.db2.gz OFQWOCLPWNMPDJ-UHFFFAOYSA-N 1 3 170.300 1.359 10 0 ADAEHO CC1(C)C(C[NH2+]CCCN)C1(C)C 86241060 572899258 /nfs/dbraw/zinc/89/92/58/572899258.db2.gz POXXMVCDGXXOLV-UHFFFAOYSA-N 1 3 184.327 1.607 10 0 ADAEHO CNCCC[NH2+]CC1C(C)(C)C1(C)C 86241013 572899325 /nfs/dbraw/zinc/89/93/25/572899325.db2.gz ZDTUQSXMAWNGNC-UHFFFAOYSA-N 1 3 198.354 1.868 10 0 ADAEHO CN1CCC[C@H]2[NH2+]C(C)(C)C[C@@H]2C1 257621697 572899327 /nfs/dbraw/zinc/89/93/27/572899327.db2.gz UKQPXTVZVWEMDK-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]([NH3+])CNC1C(C)(C)C1(C)C 86241223 572899985 /nfs/dbraw/zinc/89/99/85/572899985.db2.gz IMPBVQNRPUIMCZ-QMMMGPOBSA-N 1 3 184.327 1.748 10 0 ADAEHO C[NH2+]C[C@H](C)CNC1C(C)(C)C1(C)C 86241128 572899350 /nfs/dbraw/zinc/89/93/50/572899350.db2.gz AZYPZFILVVCVAH-VIFPVBQESA-N 1 3 198.354 1.866 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1C(C)(C)C1(C)C 86241158 572899399 /nfs/dbraw/zinc/89/93/99/572899399.db2.gz FBHXSOXCJNQJSF-SECBINFHSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1C(C)(C)C1(C)C 86241061 572899438 /nfs/dbraw/zinc/89/94/38/572899438.db2.gz YRZNKTOOHLJLIZ-VIFPVBQESA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCN1 308177334 572899515 /nfs/dbraw/zinc/89/95/15/572899515.db2.gz BIWBXBYVOPCNAJ-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO CN1CCC[C@H]2[NH2+]C(C)(C)C[C@H]2C1 257621698 572899641 /nfs/dbraw/zinc/89/96/41/572899641.db2.gz UKQPXTVZVWEMDK-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[C@@H]([NH3+])CNC1C(C)(C)C1(C)C 86241107 572899665 /nfs/dbraw/zinc/89/96/65/572899665.db2.gz CXDQVZGKNCXAQE-VIFPVBQESA-N 1 3 198.354 1.994 10 0 ADAEHO CC(C)[C@H]([NH3+])CNC1C(C)(C)C1(C)C 86241106 572899673 /nfs/dbraw/zinc/89/96/73/572899673.db2.gz CXDQVZGKNCXAQE-SECBINFHSA-N 1 3 198.354 1.994 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC1C(C)(C)C1(C)C 86240996 572899739 /nfs/dbraw/zinc/89/97/39/572899739.db2.gz YSPLNRULWFLVSD-VIFPVBQESA-N 1 3 198.354 1.853 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1C(C)(C)C1(C)C 86241062 572899806 /nfs/dbraw/zinc/89/98/06/572899806.db2.gz YRZNKTOOHLJLIZ-SECBINFHSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@@H]([NH3+])CNC1C(C)(C)C1(C)C 86241224 572899862 /nfs/dbraw/zinc/89/98/62/572899862.db2.gz IMPBVQNRPUIMCZ-MRVPVSSYSA-N 1 3 184.327 1.748 10 0 ADAEHO CN1CC[C@H]2CC(C)(C)[NH2+][C@@H]2CC1 257621729 572900244 /nfs/dbraw/zinc/90/02/44/572900244.db2.gz XTSLLYQXOJNSMQ-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[C@H](C)[NH2+]C[C@@]1(C)CCCN1 308177339 572899967 /nfs/dbraw/zinc/89/99/67/572899967.db2.gz BIWBXBYVOPCNAJ-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+]CCNCC1C(C)(C)C1(C)C 86241050 572900009 /nfs/dbraw/zinc/90/00/09/572900009.db2.gz GSZGPWCHAUFAMA-UHFFFAOYSA-N 1 3 184.327 1.478 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC1(C)C 235395196 572900733 /nfs/dbraw/zinc/90/07/33/572900733.db2.gz XPSAYRHZLRCMAD-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CCN(C)[C@@H]2C[C@@H]([NH3+])C[C@H]2C1 257621534 572900342 /nfs/dbraw/zinc/90/03/42/572900342.db2.gz DUJWJJPEQAKTFU-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO CN1CC[C@@H]2CC(C)(C)[NH2+][C@@H]2CC1 257621728 572900395 /nfs/dbraw/zinc/90/03/95/572900395.db2.gz XTSLLYQXOJNSMQ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[C@@H](N)CC[NH2+]CCCCF 308177277 572900436 /nfs/dbraw/zinc/90/04/36/572900436.db2.gz BHEOARXYRWZRHA-SNVBAGLBSA-N 1 3 190.306 1.843 10 0 ADAEHO CCC[C@H](N)CC[NH2+]CCCCF 308177276 572900609 /nfs/dbraw/zinc/90/06/09/572900609.db2.gz BHEOARXYRWZRHA-JTQLQIEISA-N 1 3 190.306 1.843 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CC1(C)C 235395196 572900727 /nfs/dbraw/zinc/90/07/27/572900727.db2.gz XPSAYRHZLRCMAD-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CC1(C)C 235395196 572900730 /nfs/dbraw/zinc/90/07/30/572900730.db2.gz XPSAYRHZLRCMAD-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CCN(C)[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 257621537 572901053 /nfs/dbraw/zinc/90/10/53/572901053.db2.gz DUJWJJPEQAKTFU-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC[C@@H](C)[NH2+]C[C@]1(C)CCCN1 308177336 572901192 /nfs/dbraw/zinc/90/11/92/572901192.db2.gz BIWBXBYVOPCNAJ-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO C[C@@H]1CCN(C)[C@@H]2C[C@H]([NH3+])C[C@H]2C1 257621536 572901205 /nfs/dbraw/zinc/90/12/05/572901205.db2.gz DUJWJJPEQAKTFU-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H](CCN)[N@H+](C)CCCCCF 308177663 572901349 /nfs/dbraw/zinc/90/13/49/572901349.db2.gz GAHRPUIEKYZCGH-SNVBAGLBSA-N 1 3 190.306 1.795 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)CCCCCF 308177663 572901351 /nfs/dbraw/zinc/90/13/51/572901351.db2.gz GAHRPUIEKYZCGH-SNVBAGLBSA-N 1 3 190.306 1.795 10 0 ADAEHO C[C@H](CC[NH3+])N(C)CCCCCF 308177663 572901354 /nfs/dbraw/zinc/90/13/54/572901354.db2.gz GAHRPUIEKYZCGH-SNVBAGLBSA-N 1 3 190.306 1.795 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)CCCCCF 308177658 572901676 /nfs/dbraw/zinc/90/16/76/572901676.db2.gz GAHRPUIEKYZCGH-JTQLQIEISA-N 1 3 190.306 1.795 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)CCCCCF 308177658 572901678 /nfs/dbraw/zinc/90/16/78/572901678.db2.gz GAHRPUIEKYZCGH-JTQLQIEISA-N 1 3 190.306 1.795 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)CCCCCF 308177658 572901679 /nfs/dbraw/zinc/90/16/79/572901679.db2.gz GAHRPUIEKYZCGH-JTQLQIEISA-N 1 3 190.306 1.795 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1C[C@H](C)[C@@H]1C 308178076 572901865 /nfs/dbraw/zinc/90/18/65/572901865.db2.gz DPQDIRWVYNASSN-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1C[C@H](C)[C@@H]1C 308178076 572901866 /nfs/dbraw/zinc/90/18/66/572901866.db2.gz DPQDIRWVYNASSN-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1C[C@H](C)[C@@H]1C 308178076 572901869 /nfs/dbraw/zinc/90/18/69/572901869.db2.gz DPQDIRWVYNASSN-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1C[C@H](C)[C@H]1C 308178090 572902199 /nfs/dbraw/zinc/90/21/99/572902199.db2.gz DPQDIRWVYNASSN-HBNTYKKESA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1C[C@H](C)[C@H]1C 308178090 572902202 /nfs/dbraw/zinc/90/22/02/572902202.db2.gz DPQDIRWVYNASSN-HBNTYKKESA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1C[C@H](C)[C@H]1C 308178090 572902205 /nfs/dbraw/zinc/90/22/05/572902205.db2.gz DPQDIRWVYNASSN-HBNTYKKESA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)CC1CCC1 86273088 572902494 /nfs/dbraw/zinc/90/24/94/572902494.db2.gz MPILFPHDUUHJLR-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)CN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272579 572902547 /nfs/dbraw/zinc/90/25/47/572902547.db2.gz PBNOFZYTQSZZRT-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)[C@@H](C)C1CC1 86272638 572902702 /nfs/dbraw/zinc/90/27/02/572902702.db2.gz HXYKQYNNJQGDOB-JBLDHEPKSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)CC(C)(C)C 86273004 572903309 /nfs/dbraw/zinc/90/33/09/572903309.db2.gz QGAJDOVWSKPUSY-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CCN(C)C[C@H]1CC[NH2+][C@H]1C 86272812 572902924 /nfs/dbraw/zinc/90/29/24/572902924.db2.gz BTONQFJCRLRXTA-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCCN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272491 572902934 /nfs/dbraw/zinc/90/29/34/572902934.db2.gz OSHHDJNSTWEUME-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@H]1CC[NH2+][C@H]1C 86272642 572903037 /nfs/dbraw/zinc/90/30/37/572903037.db2.gz BMEKBVMFJJNIIQ-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1C[C@@H](C)[C@H]1C 308178082 572903063 /nfs/dbraw/zinc/90/30/63/572903063.db2.gz DPQDIRWVYNASSN-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1C[C@@H](C)[C@H]1C 308178082 572903065 /nfs/dbraw/zinc/90/30/65/572903065.db2.gz DPQDIRWVYNASSN-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1C[C@@H](C)[C@H]1C 308178082 572903066 /nfs/dbraw/zinc/90/30/66/572903066.db2.gz DPQDIRWVYNASSN-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H]1C[C@@H](C)[C@@H]1C 308178094 572903102 /nfs/dbraw/zinc/90/31/02/572903102.db2.gz DPQDIRWVYNASSN-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1C[C@@H](C)[C@@H]1C 308178094 572903105 /nfs/dbraw/zinc/90/31/05/572903105.db2.gz DPQDIRWVYNASSN-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1C[C@@H](C)[C@@H]1C 308178094 572903107 /nfs/dbraw/zinc/90/31/07/572903107.db2.gz DPQDIRWVYNASSN-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)CN(C)C[C@H]1CC[NH2+][C@@H]1C 86272581 572903173 /nfs/dbraw/zinc/90/31/73/572903173.db2.gz PBNOFZYTQSZZRT-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)CC(C)(C)C 86273005 572903182 /nfs/dbraw/zinc/90/31/82/572903182.db2.gz QGAJDOVWSKPUSY-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)CCN(C)C[C@@H]1CC[NH2+][C@H]1C 86272810 572903352 /nfs/dbraw/zinc/90/33/52/572903352.db2.gz BTONQFJCRLRXTA-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(CC1CC1)C[C@@H]1CC[NH2+][C@@H]1C 86273206 572903391 /nfs/dbraw/zinc/90/33/91/572903391.db2.gz SOZHBBHFOQAJGA-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)CC1CC1 86272687 572903445 /nfs/dbraw/zinc/90/34/45/572903445.db2.gz RPQWAWRESUTCKR-KOLCDFICSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)CC(C)(C)C 86273003 572903582 /nfs/dbraw/zinc/90/35/82/572903582.db2.gz QGAJDOVWSKPUSY-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)C[C@@H]1CC[NH2+][C@@H]1C 86273202 572904071 /nfs/dbraw/zinc/90/40/71/572904071.db2.gz PFWXTZOYDLXLTJ-WISYIIOYSA-N 1 3 196.338 1.572 10 0 ADAEHO CCCN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272577 572904081 /nfs/dbraw/zinc/90/40/81/572904081.db2.gz UVGAXDUIACQTOL-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@@H]1CC[NH2+][C@@H]1C 86272639 572904142 /nfs/dbraw/zinc/90/41/42/572904142.db2.gz BMEKBVMFJJNIIQ-WOPDTQHZSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)CC1CC1 86272690 572904202 /nfs/dbraw/zinc/90/42/02/572904202.db2.gz RPQWAWRESUTCKR-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]CC(C)(C)CN 308179303 572904279 /nfs/dbraw/zinc/90/42/79/572904279.db2.gz GOOMTMXNDJTRQO-SNVBAGLBSA-N 1 3 186.343 1.996 10 0 ADAEHO CCN(C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 86272557 572904289 /nfs/dbraw/zinc/90/42/89/572904289.db2.gz SHIICYNZEYUJOZ-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)N(C)C[C@@H]1CC[NH2+][C@@H]1C 86272584 572904350 /nfs/dbraw/zinc/90/43/50/572904350.db2.gz SBCAOCQBGRZQAY-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)CN(C)C[C@H]1CC[NH2+][C@H]1C 86272582 572904389 /nfs/dbraw/zinc/90/43/89/572904389.db2.gz PBNOFZYTQSZZRT-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(CC1CC1)C[C@H]1CC[NH2+][C@@H]1C 86273207 572904405 /nfs/dbraw/zinc/90/44/05/572904405.db2.gz SOZHBBHFOQAJGA-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@@H]1CC[NH2+][C@H]1C 86272640 572904426 /nfs/dbraw/zinc/90/44/26/572904426.db2.gz BMEKBVMFJJNIIQ-SRVKXCTJSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN(CC)C[C@@H]1CC[NH2+][C@H]1C 86272456 572904594 /nfs/dbraw/zinc/90/45/94/572904594.db2.gz XSJFOYBHPQZIKY-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCSC[C@H](C)[N@H+](C)C[C@H](C)N 308178183 572904730 /nfs/dbraw/zinc/90/47/30/572904730.db2.gz DSNVZWXWKVPQSI-IUCAKERBSA-N 1 3 190.356 1.407 10 0 ADAEHO CCSC[C@H](C)[N@@H+](C)C[C@H](C)N 308178183 572904734 /nfs/dbraw/zinc/90/47/34/572904734.db2.gz DSNVZWXWKVPQSI-IUCAKERBSA-N 1 3 190.356 1.407 10 0 ADAEHO CCN(C[C@H]1CC[NH2+][C@@H]1C)C(C)C 86272564 572904750 /nfs/dbraw/zinc/90/47/50/572904750.db2.gz ARHPJGKGSQSURM-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CCCCN(C)C[C@H]1CC[NH2+][C@@H]1C 86272492 572904896 /nfs/dbraw/zinc/90/48/96/572904896.db2.gz OSHHDJNSTWEUME-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CCN(C)C[C@H]1CC[NH2+][C@@H]1C 86272811 572905150 /nfs/dbraw/zinc/90/51/50/572905150.db2.gz BTONQFJCRLRXTA-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)CC1CCC1 86273087 572904939 /nfs/dbraw/zinc/90/49/39/572904939.db2.gz MPILFPHDUUHJLR-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](CCC[NH3+])NCc1ccoc1 308179440 572904945 /nfs/dbraw/zinc/90/49/45/572904945.db2.gz BZVRIFNNTFXULA-SECBINFHSA-N 1 3 182.267 1.497 10 0 ADAEHO C[C@@H]([NH3+])c1cccc(CN(C)C)c1 75845044 572905001 /nfs/dbraw/zinc/90/50/01/572905001.db2.gz ZYMQNVMIYKXZBH-SECBINFHSA-N 1 3 178.279 1.768 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)CC1CCC1 86273085 572905007 /nfs/dbraw/zinc/90/50/07/572905007.db2.gz MPILFPHDUUHJLR-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCSC[C@@H](C)[N@H+](C)C[C@@H](C)N 308178184 572905047 /nfs/dbraw/zinc/90/50/47/572905047.db2.gz DSNVZWXWKVPQSI-RKDXNWHRSA-N 1 3 190.356 1.407 10 0 ADAEHO CCSC[C@@H](C)[N@@H+](C)C[C@@H](C)N 308178184 572905049 /nfs/dbraw/zinc/90/50/49/572905049.db2.gz DSNVZWXWKVPQSI-RKDXNWHRSA-N 1 3 190.356 1.407 10 0 ADAEHO COCCCC[NH2+]CCC(C)(C)N 308179678 572905059 /nfs/dbraw/zinc/90/50/59/572905059.db2.gz BWLUDGVQQSXKHG-UHFFFAOYSA-N 1 3 188.315 1.130 10 0 ADAEHO COCCCCNCCC(C)(C)[NH3+] 308179678 572905061 /nfs/dbraw/zinc/90/50/61/572905061.db2.gz BWLUDGVQQSXKHG-UHFFFAOYSA-N 1 3 188.315 1.130 10 0 ADAEHO CCSC[C@H](C)[N@H+](C)C[C@@H](C)N 308178179 572905074 /nfs/dbraw/zinc/90/50/74/572905074.db2.gz DSNVZWXWKVPQSI-BDAKNGLRSA-N 1 3 190.356 1.407 10 0 ADAEHO CCSC[C@H](C)[N@@H+](C)C[C@@H](C)N 308178179 572905075 /nfs/dbraw/zinc/90/50/75/572905075.db2.gz DSNVZWXWKVPQSI-BDAKNGLRSA-N 1 3 190.356 1.407 10 0 ADAEHO CC(C)CN(C)C[C@@H]1CC[NH2+][C@H]1C 86272580 572905164 /nfs/dbraw/zinc/90/51/64/572905164.db2.gz PBNOFZYTQSZZRT-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(CC)C[C@@H]1CC[NH2+][C@@H]1C 86272454 572905197 /nfs/dbraw/zinc/90/51/97/572905197.db2.gz XSJFOYBHPQZIKY-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)CN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272592 572905203 /nfs/dbraw/zinc/90/52/03/572905203.db2.gz DUAUQHOIRFIDIF-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCN(CC)C[C@@H]1CC[NH2+][C@@H]1C 86272571 572905241 /nfs/dbraw/zinc/90/52/41/572905241.db2.gz SYCGHDZSOASBSP-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN(C[C@H]1CC[NH2+][C@@H]1C)C1CC1 86272576 572905303 /nfs/dbraw/zinc/90/53/03/572905303.db2.gz LSQNIXUKYOFELH-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN(C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 86272575 572905310 /nfs/dbraw/zinc/90/53/10/572905310.db2.gz LSQNIXUKYOFELH-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C[C@H]1CC[NH2+][C@@H]1C)C1CC1 86272558 572905325 /nfs/dbraw/zinc/90/53/25/572905325.db2.gz SHIICYNZEYUJOZ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN(CC(C)C)C[C@H]1CC[NH2+][C@@H]1C 86272586 572905347 /nfs/dbraw/zinc/90/53/47/572905347.db2.gz JRLQADGXECJGDO-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)CC1CC1 86272688 572905397 /nfs/dbraw/zinc/90/53/97/572905397.db2.gz RPQWAWRESUTCKR-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO CCCN(CC)C[C@H]1CC[NH2+][C@@H]1C 86272572 572905407 /nfs/dbraw/zinc/90/54/07/572905407.db2.gz SYCGHDZSOASBSP-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)CC(C)(C)C 86273006 572905424 /nfs/dbraw/zinc/90/54/24/572905424.db2.gz QGAJDOVWSKPUSY-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](CCC[NH3+])NCc1ccoc1 308179441 572905430 /nfs/dbraw/zinc/90/54/30/572905430.db2.gz BZVRIFNNTFXULA-VIFPVBQESA-N 1 3 182.267 1.497 10 0 ADAEHO CCN(CC(C)C)C[C@@H]1CC[NH2+][C@@H]1C 86272585 572905446 /nfs/dbraw/zinc/90/54/46/572905446.db2.gz JRLQADGXECJGDO-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@H+](C)[C@H](C)[C@H](C)CNC 252598669 572905510 /nfs/dbraw/zinc/90/55/10/572905510.db2.gz KBYZAHCNUQINIW-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCC[N@@H+](C)[C@H](C)[C@H](C)CNC 252598669 572905515 /nfs/dbraw/zinc/90/55/15/572905515.db2.gz KBYZAHCNUQINIW-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCCN(C)[C@H](C)[C@H](C)C[NH2+]C 252598669 572905519 /nfs/dbraw/zinc/90/55/19/572905519.db2.gz KBYZAHCNUQINIW-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CN(C)Cc1cccc(CCC[NH3+])c1 75845671 572905565 /nfs/dbraw/zinc/90/55/65/572905565.db2.gz SNWHKTPFRVKYNU-UHFFFAOYSA-N 1 3 192.306 1.640 10 0 ADAEHO CCSC[C@@H](C)[N@H+](C)C[C@H](C)N 308178181 572905665 /nfs/dbraw/zinc/90/56/65/572905665.db2.gz DSNVZWXWKVPQSI-DTWKUNHWSA-N 1 3 190.356 1.407 10 0 ADAEHO CCSC[C@@H](C)[N@@H+](C)C[C@H](C)N 308178181 572905668 /nfs/dbraw/zinc/90/56/68/572905668.db2.gz DSNVZWXWKVPQSI-DTWKUNHWSA-N 1 3 190.356 1.407 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@H]1CC[NH2+][C@@H]1C 86272641 572905715 /nfs/dbraw/zinc/90/57/15/572905715.db2.gz BMEKBVMFJJNIIQ-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)[C@@H](C)C1CC1 86272636 572905731 /nfs/dbraw/zinc/90/57/31/572905731.db2.gz HXYKQYNNJQGDOB-NHCYSSNCSA-N 1 3 196.338 1.715 10 0 ADAEHO CCCC[N@H+](C)[C@@H](C)[C@H](C)CNC 252598670 572905733 /nfs/dbraw/zinc/90/57/33/572905733.db2.gz KBYZAHCNUQINIW-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCCC[N@@H+](C)[C@@H](C)[C@H](C)CNC 252598670 572905736 /nfs/dbraw/zinc/90/57/36/572905736.db2.gz KBYZAHCNUQINIW-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCCCN(C)[C@@H](C)[C@H](C)C[NH2+]C 252598670 572905740 /nfs/dbraw/zinc/90/57/40/572905740.db2.gz KBYZAHCNUQINIW-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC)C[C@H]1CC[NH2+][C@@H]1C 86272455 572905816 /nfs/dbraw/zinc/90/58/16/572905816.db2.gz XSJFOYBHPQZIKY-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CN(C)Cc1ccccc1CCC[NH3+] 75845670 572906280 /nfs/dbraw/zinc/90/62/80/572906280.db2.gz JZHVKRWLZKLMHT-UHFFFAOYSA-N 1 3 192.306 1.640 10 0 ADAEHO C[C@H]([NH3+])c1cccc(CN(C)C)c1 75845043 572906299 /nfs/dbraw/zinc/90/62/99/572906299.db2.gz ZYMQNVMIYKXZBH-VIFPVBQESA-N 1 3 178.279 1.768 10 0 ADAEHO C[C@H](C[C@H]1CCC[NH2+]1)NCCCF 308184877 572909943 /nfs/dbraw/zinc/90/99/43/572909943.db2.gz JAAIGBYLNQGUBB-NXEZZACHSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H](C)[C@H]1C 50563642 572906887 /nfs/dbraw/zinc/90/68/87/572906887.db2.gz MWQPLRFGYDYTGP-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H](C)[C@H]1C 50563642 572906890 /nfs/dbraw/zinc/90/68/90/572906890.db2.gz MWQPLRFGYDYTGP-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC(C)C)C[C@H](C)CN 308180594 572906901 /nfs/dbraw/zinc/90/69/01/572906901.db2.gz CFMONPCARBXLIA-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[N@@H+](CC(C)C)C[C@H](C)CN 308180594 572906904 /nfs/dbraw/zinc/90/69/04/572906904.db2.gz CFMONPCARBXLIA-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)N1C=N[C@@H]2CC[C@H](C[NH3+])C[C@@H]21 250516504 572907625 /nfs/dbraw/zinc/90/76/25/572907625.db2.gz QXTLSKVEAZYDJT-AXFHLTTASA-N 1 3 195.310 1.235 10 0 ADAEHO CCC[N@H+](CC(C)C)C[C@@H](C)CN 308180597 572907689 /nfs/dbraw/zinc/90/76/89/572907689.db2.gz CFMONPCARBXLIA-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[N@@H+](CC(C)C)C[C@@H](C)CN 308180597 572907690 /nfs/dbraw/zinc/90/76/90/572907690.db2.gz CFMONPCARBXLIA-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)[N@H+](C1CC1)[C@H]1CC[C@@H](N)C1 250512183 572908281 /nfs/dbraw/zinc/90/82/81/572908281.db2.gz PESIPKYSJYSNSM-KOLCDFICSA-N 1 3 182.311 1.739 10 0 ADAEHO CC(C)[N@@H+](C1CC1)[C@H]1CC[C@@H](N)C1 250512183 572908283 /nfs/dbraw/zinc/90/82/83/572908283.db2.gz PESIPKYSJYSNSM-KOLCDFICSA-N 1 3 182.311 1.739 10 0 ADAEHO CC(C)N(C1CC1)[C@H]1CC[C@@H]([NH3+])C1 250512183 572908285 /nfs/dbraw/zinc/90/82/85/572908285.db2.gz PESIPKYSJYSNSM-KOLCDFICSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCCF 308184881 572908637 /nfs/dbraw/zinc/90/86/37/572908637.db2.gz JAAIGBYLNQGUBB-UWVGGRQHSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCCF 308184889 572908650 /nfs/dbraw/zinc/90/86/50/572908650.db2.gz JAAIGBYLNQGUBB-ZJUUUORDSA-N 1 3 188.290 1.466 10 0 ADAEHO CC(C)[N@H+](C1CC1)[C@@H]1CC[C@@H](N)C1 250512188 572908711 /nfs/dbraw/zinc/90/87/11/572908711.db2.gz PESIPKYSJYSNSM-MWLCHTKSSA-N 1 3 182.311 1.739 10 0 ADAEHO CC(C)[N@@H+](C1CC1)[C@@H]1CC[C@@H](N)C1 250512188 572908713 /nfs/dbraw/zinc/90/87/13/572908713.db2.gz PESIPKYSJYSNSM-MWLCHTKSSA-N 1 3 182.311 1.739 10 0 ADAEHO CC(C)N(C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 250512188 572908717 /nfs/dbraw/zinc/90/87/17/572908717.db2.gz PESIPKYSJYSNSM-MWLCHTKSSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[N@H+](CCCN)CCCCCF 308184097 572908738 /nfs/dbraw/zinc/90/87/38/572908738.db2.gz ISJQGDBKFBVUSP-UHFFFAOYSA-N 1 3 190.306 1.797 10 0 ADAEHO CC[N@@H+](CCCN)CCCCCF 308184097 572908741 /nfs/dbraw/zinc/90/87/41/572908741.db2.gz ISJQGDBKFBVUSP-UHFFFAOYSA-N 1 3 190.306 1.797 10 0 ADAEHO CCN(CCC[NH3+])CCCCCF 308184097 572908743 /nfs/dbraw/zinc/90/87/43/572908743.db2.gz ISJQGDBKFBVUSP-UHFFFAOYSA-N 1 3 190.306 1.797 10 0 ADAEHO CC[NH+](CC)[C@@H](C)[C@H](C)CN 86311092 572908797 /nfs/dbraw/zinc/90/87/97/572908797.db2.gz FWGACHJUJIUHKI-BDAKNGLRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)N1C=N[C@@H]2CC[C@H](C[NH3+])C[C@H]21 250516511 572908877 /nfs/dbraw/zinc/90/88/77/572908877.db2.gz QXTLSKVEAZYDJT-HBNTYKKESA-N 1 3 195.310 1.235 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[NH+]1CCC(C)CC1 86311011 572908880 /nfs/dbraw/zinc/90/88/80/572908880.db2.gz ZIBFCSVOXATQDR-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)[C@@H](C)N1CCC(C)CC1 86311011 572908883 /nfs/dbraw/zinc/90/88/83/572908883.db2.gz ZIBFCSVOXATQDR-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC1(C[NH2+]C2(C)CC2)CCCC1 308184669 572908913 /nfs/dbraw/zinc/90/89/13/572908913.db2.gz FEOMCLXXQOXBNZ-UHFFFAOYSA-N 1 3 182.311 1.661 10 0 ADAEHO CCC[C@@H](C)C[NH2+]CC(C)(C)CN 308184646 572908998 /nfs/dbraw/zinc/90/89/98/572908998.db2.gz FCHHLVPATIJRJD-SNVBAGLBSA-N 1 3 186.343 1.997 10 0 ADAEHO C[C@@H](CNC1CC1)[C@H](C)[NH+]1CCCC1 86311048 572909077 /nfs/dbraw/zinc/90/90/77/572909077.db2.gz KYFKVLALLRPKPH-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)[C@H](C)N1CCCC1 86311048 572909080 /nfs/dbraw/zinc/90/90/80/572909080.db2.gz KYFKVLALLRPKPH-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCCF 308184885 572909280 /nfs/dbraw/zinc/90/92/80/572909280.db2.gz JAAIGBYLNQGUBB-VHSXEESVSA-N 1 3 188.290 1.466 10 0 ADAEHO CC[NH+](CC)[C@H](C)[C@@H](C)CNC 86311079 572909601 /nfs/dbraw/zinc/90/96/01/572909601.db2.gz HCDVVWVZGFZMJG-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[NH+]1CCCC1 86311033 572910824 /nfs/dbraw/zinc/91/08/24/572910824.db2.gz FIAHWDQGJYIDEL-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)CN 86310968 572909764 /nfs/dbraw/zinc/90/97/64/572909764.db2.gz OBKPPVZRVWLNCL-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)CN 86310968 572909768 /nfs/dbraw/zinc/90/97/68/572909768.db2.gz OBKPPVZRVWLNCL-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH+](CC)[C@@H](C)[C@@H](C)CNC 86311078 572909975 /nfs/dbraw/zinc/90/99/75/572909975.db2.gz HCDVVWVZGFZMJG-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CNC[C@H](C)[C@H](C)[NH+]1CCCC1 86311032 572910011 /nfs/dbraw/zinc/91/00/11/572910011.db2.gz FIAHWDQGJYIDEL-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@H](C)C[NH2+]CC(C)(C)CN 308184645 572910072 /nfs/dbraw/zinc/91/00/72/572910072.db2.gz FCHHLVPATIJRJD-JTQLQIEISA-N 1 3 186.343 1.997 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C)C1 86311141 572910081 /nfs/dbraw/zinc/91/00/81/572910081.db2.gz OTLAAMDDBMDNSS-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C)C1 86311141 572910086 /nfs/dbraw/zinc/91/00/86/572910086.db2.gz OTLAAMDDBMDNSS-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[NH+]1CCC(C)CC1 86311010 572910170 /nfs/dbraw/zinc/91/01/70/572910170.db2.gz ZIBFCSVOXATQDR-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H](C)N1CCC(C)CC1 86311010 572910172 /nfs/dbraw/zinc/91/01/72/572910172.db2.gz ZIBFCSVOXATQDR-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[NH+]1CCCC1 86311031 572910229 /nfs/dbraw/zinc/91/02/29/572910229.db2.gz FIAHWDQGJYIDEL-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[NH+]1CCC(C)CC1 86311013 572910326 /nfs/dbraw/zinc/91/03/26/572910326.db2.gz ZIBFCSVOXATQDR-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@@H](C)N1CCC(C)CC1 86311013 572910327 /nfs/dbraw/zinc/91/03/27/572910327.db2.gz ZIBFCSVOXATQDR-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 86310977 572910362 /nfs/dbraw/zinc/91/03/62/572910362.db2.gz MFIKJMLBWRTFMI-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 86310977 572910364 /nfs/dbraw/zinc/91/03/64/572910364.db2.gz MFIKJMLBWRTFMI-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([C@H](C)CNC1CC1)[NH+]1CCCC1 86311049 572910371 /nfs/dbraw/zinc/91/03/71/572910371.db2.gz KYFKVLALLRPKPH-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]([C@H](C)C[NH2+]C1CC1)N1CCCC1 86311049 572910373 /nfs/dbraw/zinc/91/03/73/572910373.db2.gz KYFKVLALLRPKPH-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H]1C 86310976 572910380 /nfs/dbraw/zinc/91/03/80/572910380.db2.gz MFIKJMLBWRTFMI-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCC[C@H]1C 86310976 572910382 /nfs/dbraw/zinc/91/03/82/572910382.db2.gz MFIKJMLBWRTFMI-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[NH+]1CCC(C)CC1 86311012 572910430 /nfs/dbraw/zinc/91/04/30/572910430.db2.gz ZIBFCSVOXATQDR-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H](C)N1CCC(C)CC1 86311012 572910432 /nfs/dbraw/zinc/91/04/32/572910432.db2.gz ZIBFCSVOXATQDR-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH+](CC)[C@@H](C)[C@H](C)CNC 86311080 572911133 /nfs/dbraw/zinc/91/11/33/572911133.db2.gz HCDVVWVZGFZMJG-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO C[C@@H](CNC1CC1)[C@@H](C)[NH+]1CCCC1 86311046 572911188 /nfs/dbraw/zinc/91/11/88/572911188.db2.gz KYFKVLALLRPKPH-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)[C@@H](C)N1CCCC1 86311046 572911191 /nfs/dbraw/zinc/91/11/91/572911191.db2.gz KYFKVLALLRPKPH-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 86311140 572911328 /nfs/dbraw/zinc/91/13/28/572911328.db2.gz OTLAAMDDBMDNSS-WOPDTQHZSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C)C1 86311140 572911331 /nfs/dbraw/zinc/91/13/31/572911331.db2.gz OTLAAMDDBMDNSS-WOPDTQHZSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH+](CC)[C@@H](C)[C@@H](C)CN 86311090 572911397 /nfs/dbraw/zinc/91/13/97/572911397.db2.gz FWGACHJUJIUHKI-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[NH+](CC)[C@H](C)[C@@H](C)CN 86311091 572911361 /nfs/dbraw/zinc/91/13/61/572911361.db2.gz FWGACHJUJIUHKI-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CCCC[N@H+](C)[C@@H](C)[C@@H](C)CNC 86311218 572911465 /nfs/dbraw/zinc/91/14/65/572911465.db2.gz KBYZAHCNUQINIW-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH+](CC)[C@H](C)[C@H](C)CNC 86311081 572911452 /nfs/dbraw/zinc/91/14/52/572911452.db2.gz HCDVVWVZGFZMJG-NXEZZACHSA-N 1 3 172.316 1.572 10 0 ADAEHO CCCC[N@@H+](C)[C@@H](C)[C@@H](C)CNC 86311218 572911468 /nfs/dbraw/zinc/91/14/68/572911468.db2.gz KBYZAHCNUQINIW-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCCN(C)[C@@H](C)[C@@H](C)C[NH2+]C 86311218 572911471 /nfs/dbraw/zinc/91/14/71/572911471.db2.gz KBYZAHCNUQINIW-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@H](CNC1CC1)[C@@H](C)[NH+]1CCCC1 86311047 572911475 /nfs/dbraw/zinc/91/14/75/572911475.db2.gz KYFKVLALLRPKPH-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)[C@@H](C)N1CCCC1 86311047 572911477 /nfs/dbraw/zinc/91/14/77/572911477.db2.gz KYFKVLALLRPKPH-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[NH+]1CCCC1 86311030 572911497 /nfs/dbraw/zinc/91/14/97/572911497.db2.gz FIAHWDQGJYIDEL-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@H](C)[C@H](C)CN 86311093 572911501 /nfs/dbraw/zinc/91/15/01/572911501.db2.gz FWGACHJUJIUHKI-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C 86312625 572911964 /nfs/dbraw/zinc/91/19/64/572911964.db2.gz UGINRNLKVMNYAS-FIQHERPVSA-N 1 3 198.354 1.818 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CN 86311555 572911702 /nfs/dbraw/zinc/91/17/02/572911702.db2.gz WXHUZSITAZCNEO-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H](C)[C@@H](C)CN 86311555 572911705 /nfs/dbraw/zinc/91/17/05/572911705.db2.gz WXHUZSITAZCNEO-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CNC[C@H](C)[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86312828 572911736 /nfs/dbraw/zinc/91/17/36/572911736.db2.gz GUAZQDUQARILPA-QCNOEVLYSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)[C@@H](C)N(C)C1CC1 86311496 572911756 /nfs/dbraw/zinc/91/17/56/572911756.db2.gz JJZGTCPXLMQNSY-VHSXEESVSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H](CNC1CC1)[C@@H](C)[N@H+](C)C1CC1 86311496 572911760 /nfs/dbraw/zinc/91/17/60/572911760.db2.gz JJZGTCPXLMQNSY-VHSXEESVSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H](CNC1CC1)[C@@H](C)[N@@H+](C)C1CC1 86311496 572911763 /nfs/dbraw/zinc/91/17/63/572911763.db2.gz JJZGTCPXLMQNSY-VHSXEESVSA-N 1 3 196.338 1.857 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C(C)C 86311254 572911833 /nfs/dbraw/zinc/91/18/33/572911833.db2.gz SRKFTMKQKKRKQI-UWVGGRQHSA-N 1 3 172.316 1.571 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C(C)C 86311254 572911834 /nfs/dbraw/zinc/91/18/34/572911834.db2.gz SRKFTMKQKKRKQI-UWVGGRQHSA-N 1 3 172.316 1.571 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[NH+]1CCCCC1 86311299 572911848 /nfs/dbraw/zinc/91/18/48/572911848.db2.gz WAMSGQOZNHUPNC-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H](C)N1CCCCC1 86311299 572911851 /nfs/dbraw/zinc/91/18/51/572911851.db2.gz WAMSGQOZNHUPNC-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[N@H+](C)[C@H](C)[C@@H](C)CNC 86311219 572911893 /nfs/dbraw/zinc/91/18/93/572911893.db2.gz KBYZAHCNUQINIW-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCC[N@@H+](C)[C@H](C)[C@@H](C)CNC 86311219 572911895 /nfs/dbraw/zinc/91/18/95/572911895.db2.gz KBYZAHCNUQINIW-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCCCN(C)[C@H](C)[C@@H](C)C[NH2+]C 86311219 572911898 /nfs/dbraw/zinc/91/18/98/572911898.db2.gz KBYZAHCNUQINIW-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[NH2+]C[C@H](C)[C@@H](C)N(C)C 86311333 572911914 /nfs/dbraw/zinc/91/19/14/572911914.db2.gz NOTMLGKBFLEYEY-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[NH2+]C(C)(C)CNCCCCF 308181713 572911922 /nfs/dbraw/zinc/91/19/22/572911922.db2.gz CZRRDMTXVRJPAF-UHFFFAOYSA-N 1 3 190.306 1.714 10 0 ADAEHO CNC[C@H](C)[C@H](C)[NH+]1CCCCC1 86311298 572911934 /nfs/dbraw/zinc/91/19/34/572911934.db2.gz WAMSGQOZNHUPNC-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H](C)N1CCCCC1 86311298 572911936 /nfs/dbraw/zinc/91/19/36/572911936.db2.gz WAMSGQOZNHUPNC-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)CNC 86312644 572911952 /nfs/dbraw/zinc/91/19/52/572911952.db2.gz NTESTWWRMDIVIG-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)CNC 86312644 572911954 /nfs/dbraw/zinc/91/19/54/572911954.db2.gz NTESTWWRMDIVIG-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 86312625 572911966 /nfs/dbraw/zinc/91/19/66/572911966.db2.gz UGINRNLKVMNYAS-FIQHERPVSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)CC1CCC1 86312376 572911986 /nfs/dbraw/zinc/91/19/86/572911986.db2.gz GDDZJLSPZFRZHS-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)CC1CCC1 86312376 572911988 /nfs/dbraw/zinc/91/19/88/572911988.db2.gz GDDZJLSPZFRZHS-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)CC(C)(C)C 86312266 572911994 /nfs/dbraw/zinc/91/19/94/572911994.db2.gz AMYZRSBIROALGU-VHSXEESVSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)CC(C)(C)C 86312266 572911995 /nfs/dbraw/zinc/91/19/95/572911995.db2.gz AMYZRSBIROALGU-VHSXEESVSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@H+](CC(C)C)[C@H](C)[C@@H](C)CN 86311567 572912002 /nfs/dbraw/zinc/91/20/02/572912002.db2.gz DUKIFJKYZFOXIC-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@H](C)[C@@H](C)CN 86311567 572912004 /nfs/dbraw/zinc/91/20/04/572912004.db2.gz DUKIFJKYZFOXIC-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@H+](CC(C)C)[C@@H](C)[C@@H](C)CN 86311566 572912034 /nfs/dbraw/zinc/91/20/34/572912034.db2.gz DUKIFJKYZFOXIC-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@@H](C)[C@@H](C)CN 86311566 572912036 /nfs/dbraw/zinc/91/20/36/572912036.db2.gz DUKIFJKYZFOXIC-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO C[NH2+]C1(CNCC2CC2)CCCC1 308182403 572912037 /nfs/dbraw/zinc/91/20/37/572912037.db2.gz DHHCWBACFUBHFB-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@H](C[NH3+])CCNCc1nccs1 87999211 572912067 /nfs/dbraw/zinc/91/20/67/572912067.db2.gz DUWDKCINZBXNNV-QMMMGPOBSA-N 1 3 199.323 1.218 10 0 ADAEHO CC(C)[NH2+]C[C@H](C)[C@H](C)N(C)C 86311347 572912068 /nfs/dbraw/zinc/91/20/68/572912068.db2.gz SYERFFFGUWNGKN-UWVGGRQHSA-N 1 3 172.316 1.571 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H](C)[C@@H](C)CN 86312216 572912094 /nfs/dbraw/zinc/91/20/94/572912094.db2.gz FSMBUFZUSQYJLN-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H](C)[C@@H](C)CN 86312216 572912095 /nfs/dbraw/zinc/91/20/95/572912095.db2.gz FSMBUFZUSQYJLN-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 86312626 572912110 /nfs/dbraw/zinc/91/21/10/572912110.db2.gz UGINRNLKVMNYAS-RHYQMDGZSA-N 1 3 198.354 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 86312626 572912112 /nfs/dbraw/zinc/91/21/12/572912112.db2.gz UGINRNLKVMNYAS-RHYQMDGZSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)[C@@H](C)N(C)C1CC1 86311497 572912125 /nfs/dbraw/zinc/91/21/25/572912125.db2.gz JJZGTCPXLMQNSY-NXEZZACHSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H](CNC1CC1)[C@@H](C)[N@H+](C)C1CC1 86311497 572912126 /nfs/dbraw/zinc/91/21/26/572912126.db2.gz JJZGTCPXLMQNSY-NXEZZACHSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H](CNC1CC1)[C@@H](C)[N@@H+](C)C1CC1 86311497 572912129 /nfs/dbraw/zinc/91/21/29/572912129.db2.gz JJZGTCPXLMQNSY-NXEZZACHSA-N 1 3 196.338 1.857 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)CC(C)C 86311612 572912136 /nfs/dbraw/zinc/91/21/36/572912136.db2.gz ZJGMJNSQVAULJA-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)CC(C)C 86311612 572912137 /nfs/dbraw/zinc/91/21/37/572912137.db2.gz ZJGMJNSQVAULJA-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H](C)[C@@H](C)CN 86312217 572912228 /nfs/dbraw/zinc/91/22/28/572912228.db2.gz FSMBUFZUSQYJLN-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H](C)[C@@H](C)CN 86312217 572912230 /nfs/dbraw/zinc/91/22/30/572912230.db2.gz FSMBUFZUSQYJLN-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[NH2+]C[C@H](C)[C@H](C)N(C)CC 86311503 572912239 /nfs/dbraw/zinc/91/22/39/572912239.db2.gz DMEBUJDCRSWMMT-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[NH+]1CCCCC1 86311297 572912262 /nfs/dbraw/zinc/91/22/62/572912262.db2.gz WAMSGQOZNHUPNC-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@@H](C)N1CCCCC1 86311297 572912264 /nfs/dbraw/zinc/91/22/64/572912264.db2.gz WAMSGQOZNHUPNC-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H](C)N(C)C1CC1 86311483 572912315 /nfs/dbraw/zinc/91/23/15/572912315.db2.gz KXKFMLZRRCGWSR-BDAKNGLRSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 86312624 572912359 /nfs/dbraw/zinc/91/23/59/572912359.db2.gz UGINRNLKVMNYAS-NOOOWODRSA-N 1 3 198.354 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 86312624 572912362 /nfs/dbraw/zinc/91/23/62/572912362.db2.gz UGINRNLKVMNYAS-NOOOWODRSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@@H](CNC1CC1)[C@H](C)[NH+](C)C 86311354 572912384 /nfs/dbraw/zinc/91/23/84/572912384.db2.gz PYUVFNMKBXNEBL-IUCAKERBSA-N 1 3 170.300 1.325 10 0 ADAEHO CCC[N@H+](C)[C@H](C)[C@@H](C)CNC 86311447 572912394 /nfs/dbraw/zinc/91/23/94/572912394.db2.gz XATZKQGIJPUJFA-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CCC[N@@H+](C)[C@H](C)[C@@H](C)CNC 86311447 572912395 /nfs/dbraw/zinc/91/23/95/572912395.db2.gz XATZKQGIJPUJFA-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CCCN(C)[C@H](C)[C@@H](C)C[NH2+]C 86311447 572912399 /nfs/dbraw/zinc/91/23/99/572912399.db2.gz XATZKQGIJPUJFA-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CCC[NH2+]C[C@H](C)[C@H](C)N(C)C 86311335 572912424 /nfs/dbraw/zinc/91/24/24/572912424.db2.gz NOTMLGKBFLEYEY-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H](C)N(C)C1CC1 86311482 572912447 /nfs/dbraw/zinc/91/24/47/572912447.db2.gz KXKFMLZRRCGWSR-IUCAKERBSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)CC1CC1 86311914 572912588 /nfs/dbraw/zinc/91/25/88/572912588.db2.gz VRAZUTQDYICTCV-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+](C)CC1CCC1 86312371 572912476 /nfs/dbraw/zinc/91/24/76/572912476.db2.gz DVXPGJRBIHYVIZ-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+](C)CC1CCC1 86312371 572912479 /nfs/dbraw/zinc/91/24/79/572912479.db2.gz DVXPGJRBIHYVIZ-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[NH2+]C[C@@H](C)[C@@H](C)N(C)C 86311344 572912483 /nfs/dbraw/zinc/91/24/83/572912483.db2.gz SYERFFFGUWNGKN-NXEZZACHSA-N 1 3 172.316 1.571 10 0 ADAEHO CCC[N@H+](C)[C@@H](C)[C@@H](C)CN 86311452 572912577 /nfs/dbraw/zinc/91/25/77/572912577.db2.gz RYUPLYQFKHMVGJ-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CCC[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311452 572912578 /nfs/dbraw/zinc/91/25/78/572912578.db2.gz RYUPLYQFKHMVGJ-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)CC1CC1 86311914 572912586 /nfs/dbraw/zinc/91/25/86/572912586.db2.gz VRAZUTQDYICTCV-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)C 86311340 572912591 /nfs/dbraw/zinc/91/25/91/572912591.db2.gz LSJQQQCNQVWCSM-VHSXEESVSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)CC(C)(C)C 86312268 572912602 /nfs/dbraw/zinc/91/26/02/572912602.db2.gz AMYZRSBIROALGU-UWVGGRQHSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)CC(C)(C)C 86312268 572912604 /nfs/dbraw/zinc/91/26/04/572912604.db2.gz AMYZRSBIROALGU-UWVGGRQHSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[N@H+](CC)[C@@H](C)[C@@H](C)CN 86311542 572912610 /nfs/dbraw/zinc/91/26/10/572912610.db2.gz YMIUXRGCQGMCFD-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+](CC)[C@@H](C)[C@@H](C)CN 86311542 572912611 /nfs/dbraw/zinc/91/26/11/572912611.db2.gz YMIUXRGCQGMCFD-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[NH+]1CCCCC1 86311296 572912627 /nfs/dbraw/zinc/91/26/27/572912627.db2.gz WAMSGQOZNHUPNC-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@H](C)[C@@H](C)N1CCCCC1 86311296 572912628 /nfs/dbraw/zinc/91/26/28/572912628.db2.gz WAMSGQOZNHUPNC-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](C(C)C)[C@H](C)[C@@H](C)CNC 86311519 572912675 /nfs/dbraw/zinc/91/26/75/572912675.db2.gz XUXFZKNQYFGFAC-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)CNC 86311519 572912677 /nfs/dbraw/zinc/91/26/77/572912677.db2.gz XUXFZKNQYFGFAC-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](CC1CC1)C1CC1 86312722 572912683 /nfs/dbraw/zinc/91/26/83/572912683.db2.gz DHFSLVCVCFJDOJ-VHSXEESVSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](CC1CC1)C1CC1 86312722 572912685 /nfs/dbraw/zinc/91/26/85/572912685.db2.gz DHFSLVCVCFJDOJ-VHSXEESVSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)[C@@H](C)N(C)C 86311353 572912693 /nfs/dbraw/zinc/91/26/93/572912693.db2.gz PYUVFNMKBXNEBL-RKDXNWHRSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@H](CNC1CC1)[C@@H](C)[NH+](C)C 86311353 572912694 /nfs/dbraw/zinc/91/26/94/572912694.db2.gz PYUVFNMKBXNEBL-RKDXNWHRSA-N 1 3 170.300 1.325 10 0 ADAEHO CCN(C)[C@@H](C)[C@@H](C)C[NH2+]C(C)C 86311508 572912701 /nfs/dbraw/zinc/91/27/01/572912701.db2.gz BQRMUDSMMMUFEW-QWRGUYRKSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@@H](C[NH3+])CCN(C)Cc1ccoc1 87999072 572912746 /nfs/dbraw/zinc/91/27/46/572912746.db2.gz NVXSXQYXCJKQOJ-SNVBAGLBSA-N 1 3 196.294 1.696 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)CC(C)(C)C 86312267 572912749 /nfs/dbraw/zinc/91/27/49/572912749.db2.gz AMYZRSBIROALGU-NXEZZACHSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)CC(C)(C)C 86312267 572912751 /nfs/dbraw/zinc/91/27/51/572912751.db2.gz AMYZRSBIROALGU-NXEZZACHSA-N 1 3 186.343 1.948 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)CC1CCC1 86312368 572912775 /nfs/dbraw/zinc/91/27/75/572912775.db2.gz DVXPGJRBIHYVIZ-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)CC1CCC1 86312368 572912778 /nfs/dbraw/zinc/91/27/78/572912778.db2.gz DVXPGJRBIHYVIZ-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)[C@@H](C)N(C)C1CC1 86311480 572913506 /nfs/dbraw/zinc/91/35/06/572913506.db2.gz KXKFMLZRRCGWSR-DTWKUNHWSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)C[N@H+](C)[C@H](C)[C@@H](C)CN 86311619 572912798 /nfs/dbraw/zinc/91/27/98/572912798.db2.gz PBGSCFBXJRLOPD-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H](C)[C@@H](C)CN 86311619 572912801 /nfs/dbraw/zinc/91/28/01/572912801.db2.gz PBGSCFBXJRLOPD-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)CNC 86311598 572913769 /nfs/dbraw/zinc/91/37/69/572913769.db2.gz BBYZMNLHZCLCQR-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)CC1CC1 86311902 572912852 /nfs/dbraw/zinc/91/28/52/572912852.db2.gz LQDSTHKHBUEWCD-VHSXEESVSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 86311902 572912855 /nfs/dbraw/zinc/91/28/55/572912855.db2.gz LQDSTHKHBUEWCD-VHSXEESVSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H](C)[C@@H](C)CN 86311618 572912876 /nfs/dbraw/zinc/91/28/76/572912876.db2.gz PBGSCFBXJRLOPD-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311618 572912878 /nfs/dbraw/zinc/91/28/78/572912878.db2.gz PBGSCFBXJRLOPD-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO CCC[NH2+]C[C@@H](C)[C@@H](C)N(C)C 86311332 572912941 /nfs/dbraw/zinc/91/29/41/572912941.db2.gz NOTMLGKBFLEYEY-NXEZZACHSA-N 1 3 172.316 1.572 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)CC1CCC1 86312377 572912953 /nfs/dbraw/zinc/91/29/53/572912953.db2.gz GDDZJLSPZFRZHS-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)CC1CCC1 86312377 572912957 /nfs/dbraw/zinc/91/29/57/572912957.db2.gz GDDZJLSPZFRZHS-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)CC1CC1 86311916 572912972 /nfs/dbraw/zinc/91/29/72/572912972.db2.gz VRAZUTQDYICTCV-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)CC1CC1 86311916 572912975 /nfs/dbraw/zinc/91/29/75/572912975.db2.gz VRAZUTQDYICTCV-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](C[NH3+])CCNCc1nccs1 87999212 572913042 /nfs/dbraw/zinc/91/30/42/572913042.db2.gz DUWDKCINZBXNNV-MRVPVSSYSA-N 1 3 199.323 1.218 10 0 ADAEHO CCN(C)[C@@H](C)[C@@H](C)C[NH2+]C 86311504 572913055 /nfs/dbraw/zinc/91/30/55/572913055.db2.gz BJBRJEMMVPCNQY-IUCAKERBSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[N@H+](C)[C@@H](C)[C@@H](C)CNC 86311504 572913059 /nfs/dbraw/zinc/91/30/59/572913059.db2.gz BJBRJEMMVPCNQY-IUCAKERBSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[N@@H+](C)[C@@H](C)[C@@H](C)CNC 86311504 572913062 /nfs/dbraw/zinc/91/30/62/572913062.db2.gz BJBRJEMMVPCNQY-IUCAKERBSA-N 1 3 158.289 1.182 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)[C@@H](C)N(C)C 86311352 572913094 /nfs/dbraw/zinc/91/30/94/572913094.db2.gz PYUVFNMKBXNEBL-DTWKUNHWSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H](CNC1CC1)[C@@H](C)[NH+](C)C 86311352 572913095 /nfs/dbraw/zinc/91/30/95/572913095.db2.gz PYUVFNMKBXNEBL-DTWKUNHWSA-N 1 3 170.300 1.325 10 0 ADAEHO CCN(C)[C@H](C)[C@@H](C)C[NH2+]C 86311505 572913113 /nfs/dbraw/zinc/91/31/13/572913113.db2.gz BJBRJEMMVPCNQY-DTWKUNHWSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[N@H+](C)[C@H](C)[C@@H](C)CNC 86311505 572913116 /nfs/dbraw/zinc/91/31/16/572913116.db2.gz BJBRJEMMVPCNQY-DTWKUNHWSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[N@@H+](C)[C@H](C)[C@@H](C)CNC 86311505 572913119 /nfs/dbraw/zinc/91/31/19/572913119.db2.gz BJBRJEMMVPCNQY-DTWKUNHWSA-N 1 3 158.289 1.182 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)CC1CCC1 86312370 572913130 /nfs/dbraw/zinc/91/31/30/572913130.db2.gz DVXPGJRBIHYVIZ-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)CC1CCC1 86312370 572913134 /nfs/dbraw/zinc/91/31/34/572913134.db2.gz DVXPGJRBIHYVIZ-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[NH2+]C[C@@H](C)[C@@H](C)N(C)CC 86311500 572913148 /nfs/dbraw/zinc/91/31/48/572913148.db2.gz DMEBUJDCRSWMMT-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[N@H+](CC)[C@@H](C)[C@@H](C)CNC 86311536 572913189 /nfs/dbraw/zinc/91/31/89/572913189.db2.gz HWUYLAGTDHHKAK-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[N@@H+](CC)[C@@H](C)[C@@H](C)CNC 86311536 572913192 /nfs/dbraw/zinc/91/31/92/572913192.db2.gz HWUYLAGTDHHKAK-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](CC1CC1)C1CC1 86312725 572913238 /nfs/dbraw/zinc/91/32/38/572913238.db2.gz DHFSLVCVCFJDOJ-ZJUUUORDSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](CC1CC1)C1CC1 86312725 572913240 /nfs/dbraw/zinc/91/32/40/572913240.db2.gz DHFSLVCVCFJDOJ-ZJUUUORDSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C[NH2+]C(C)(C)C)[C@H](C)N(C)C 86311342 572913274 /nfs/dbraw/zinc/91/32/74/572913274.db2.gz LSJQQQCNQVWCSM-UWVGGRQHSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)C 86311341 572913279 /nfs/dbraw/zinc/91/32/79/572913279.db2.gz LSJQQQCNQVWCSM-NXEZZACHSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@H](C)[C@H](C)CN 86311777 572913288 /nfs/dbraw/zinc/91/32/88/572913288.db2.gz LCGWWLKWRHFXDP-BBBLOLIVSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@H](C)[C@H](C)CN 86311777 572913290 /nfs/dbraw/zinc/91/32/90/572913290.db2.gz LCGWWLKWRHFXDP-BBBLOLIVSA-N 1 3 184.327 1.700 10 0 ADAEHO CCC[N@H+](C)[C@@H](C)[C@@H](C)CNC 86311446 572913338 /nfs/dbraw/zinc/91/33/38/572913338.db2.gz XATZKQGIJPUJFA-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CCC[N@@H+](C)[C@@H](C)[C@@H](C)CNC 86311446 572913341 /nfs/dbraw/zinc/91/33/41/572913341.db2.gz XATZKQGIJPUJFA-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CCCN(C)[C@@H](C)[C@@H](C)C[NH2+]C 86311446 572913343 /nfs/dbraw/zinc/91/33/43/572913343.db2.gz XATZKQGIJPUJFA-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)[C@H](C)N(C)C1CC1 86311498 572913352 /nfs/dbraw/zinc/91/33/52/572913352.db2.gz JJZGTCPXLMQNSY-UWVGGRQHSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H](CNC1CC1)[C@H](C)[N@H+](C)C1CC1 86311498 572913355 /nfs/dbraw/zinc/91/33/55/572913355.db2.gz JJZGTCPXLMQNSY-UWVGGRQHSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H](CNC1CC1)[C@H](C)[N@@H+](C)C1CC1 86311498 572913356 /nfs/dbraw/zinc/91/33/56/572913356.db2.gz JJZGTCPXLMQNSY-UWVGGRQHSA-N 1 3 196.338 1.857 10 0 ADAEHO CCC[NH2+]C[C@H](C)[C@@H](C)N(C)CC 86311501 572913363 /nfs/dbraw/zinc/91/33/63/572913363.db2.gz DMEBUJDCRSWMMT-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 86312632 572913371 /nfs/dbraw/zinc/91/33/71/572913371.db2.gz HMOPFUVJHZHFBY-VPOLOUISSA-N 1 3 184.327 1.558 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 86312632 572913373 /nfs/dbraw/zinc/91/33/73/572913373.db2.gz HMOPFUVJHZHFBY-VPOLOUISSA-N 1 3 184.327 1.558 10 0 ADAEHO CC[N@H+](C)[C@@H](C)[C@@H](C)CNC1CC1 86311512 572913394 /nfs/dbraw/zinc/91/33/94/572913394.db2.gz NOSYRUDJYRWCRM-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C)[C@@H](C)[C@@H](C)CNC1CC1 86311512 572913397 /nfs/dbraw/zinc/91/33/97/572913397.db2.gz NOSYRUDJYRWCRM-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311512 572913400 /nfs/dbraw/zinc/91/34/00/572913400.db2.gz NOSYRUDJYRWCRM-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)CC1CC1 86311917 572913424 /nfs/dbraw/zinc/91/34/24/572913424.db2.gz VRAZUTQDYICTCV-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)CC1CC1 86311917 572913427 /nfs/dbraw/zinc/91/34/27/572913427.db2.gz VRAZUTQDYICTCV-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@@H](C)[C@@H](C)CN 86311651 572913441 /nfs/dbraw/zinc/91/34/41/572913441.db2.gz ZHUIYKGRXRSXQH-DCAQKATOSA-N 1 3 186.343 1.948 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86312826 572913473 /nfs/dbraw/zinc/91/34/73/572913473.db2.gz GUAZQDUQARILPA-YFKTTZPYSA-N 1 3 198.354 1.818 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311651 572913443 /nfs/dbraw/zinc/91/34/43/572913443.db2.gz ZHUIYKGRXRSXQH-DCAQKATOSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)CN 86311524 572913453 /nfs/dbraw/zinc/91/34/53/572913453.db2.gz ZLJDQCMCUCGWAS-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)CN 86311524 572913456 /nfs/dbraw/zinc/91/34/56/572913456.db2.gz ZLJDQCMCUCGWAS-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86312826 572913474 /nfs/dbraw/zinc/91/34/74/572913474.db2.gz GUAZQDUQARILPA-YFKTTZPYSA-N 1 3 198.354 1.818 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)CN 86311439 572913596 /nfs/dbraw/zinc/91/35/96/572913596.db2.gz MEWPLLITAYJBBP-GUBZILKMSA-N 1 3 172.316 1.700 10 0 ADAEHO CN1CCC(C)(C)C[C@@H]2C[C@H]([NH3+])C[C@@H]21 257629888 572913598 /nfs/dbraw/zinc/91/35/98/572913598.db2.gz JSCKWJXTQIONAS-DCAQKATOSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311439 572913600 /nfs/dbraw/zinc/91/36/00/572913600.db2.gz MEWPLLITAYJBBP-GUBZILKMSA-N 1 3 172.316 1.700 10 0 ADAEHO C[C@H](C[NH3+])CCN(C)Cc1ccoc1 87999071 572913606 /nfs/dbraw/zinc/91/36/06/572913606.db2.gz NVXSXQYXCJKQOJ-JTQLQIEISA-N 1 3 196.294 1.696 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@H+](C)CC1CC1 86311903 572913617 /nfs/dbraw/zinc/91/36/17/572913617.db2.gz LQDSTHKHBUEWCD-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@@H+](C)CC1CC1 86311903 572913621 /nfs/dbraw/zinc/91/36/21/572913621.db2.gz LQDSTHKHBUEWCD-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(C1CC1)[C@H](C)[C@@H](C)C[NH2+]C 86311599 572913972 /nfs/dbraw/zinc/91/39/72/572913972.db2.gz BBYZMNLHZCLCQR-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)CC(C)(C)C 86312269 572913638 /nfs/dbraw/zinc/91/36/38/572913638.db2.gz AMYZRSBIROALGU-ZJUUUORDSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)CC(C)(C)C 86312269 572913640 /nfs/dbraw/zinc/91/36/40/572913640.db2.gz AMYZRSBIROALGU-ZJUUUORDSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CNC 86311599 572913973 /nfs/dbraw/zinc/91/39/73/572913973.db2.gz BBYZMNLHZCLCQR-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([C@H](C)C[NH2+]C1CC1)N(C)C 86311355 572913657 /nfs/dbraw/zinc/91/36/57/572913657.db2.gz PYUVFNMKBXNEBL-BDAKNGLRSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H]([C@H](C)CNC1CC1)[NH+](C)C 86311355 572913661 /nfs/dbraw/zinc/91/36/61/572913661.db2.gz PYUVFNMKBXNEBL-BDAKNGLRSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)CC1CCC1 86312379 572913674 /nfs/dbraw/zinc/91/36/74/572913674.db2.gz GDDZJLSPZFRZHS-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](C1CC1)[C@H](C)[C@@H](C)CNC 86311599 572913975 /nfs/dbraw/zinc/91/39/75/572913975.db2.gz BBYZMNLHZCLCQR-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)CC1CCC1 86312379 572913679 /nfs/dbraw/zinc/91/36/79/572913679.db2.gz GDDZJLSPZFRZHS-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H](C)[C@@H](C)CNC 86312645 572913734 /nfs/dbraw/zinc/91/37/34/572913734.db2.gz NTESTWWRMDIVIG-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)CNC 86312645 572913735 /nfs/dbraw/zinc/91/37/35/572913735.db2.gz NTESTWWRMDIVIG-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+](C)CC1CC1 86311905 572913744 /nfs/dbraw/zinc/91/37/44/572913744.db2.gz LQDSTHKHBUEWCD-ZJUUUORDSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+](C)CC1CC1 86311905 572913747 /nfs/dbraw/zinc/91/37/47/572913747.db2.gz LQDSTHKHBUEWCD-ZJUUUORDSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(C)[C@H](C)[C@@H](C)C[NH2+]C(C)C 86311509 572913754 /nfs/dbraw/zinc/91/37/54/572913754.db2.gz BQRMUDSMMMUFEW-WDEREUQCSA-N 1 3 186.343 1.961 10 0 ADAEHO CCN(C1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 86311598 572913764 /nfs/dbraw/zinc/91/37/64/572913764.db2.gz BBYZMNLHZCLCQR-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CNC 86311598 572913767 /nfs/dbraw/zinc/91/37/67/572913767.db2.gz BBYZMNLHZCLCQR-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C)C1 86311937 572913815 /nfs/dbraw/zinc/91/38/15/572913815.db2.gz VLKBLDSGPLSXTL-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)C1 86311937 572913816 /nfs/dbraw/zinc/91/38/16/572913816.db2.gz VLKBLDSGPLSXTL-DCAQKATOSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)CN 86312648 572913907 /nfs/dbraw/zinc/91/39/07/572913907.db2.gz DZUXVKWGPCFMFC-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)CN 86312648 572913912 /nfs/dbraw/zinc/91/39/12/572913912.db2.gz DZUXVKWGPCFMFC-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)CN 86311753 572914675 /nfs/dbraw/zinc/91/46/75/572914675.db2.gz OARCVOHZYXINJV-DCAQKATOSA-N 1 3 186.343 1.946 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311753 572914678 /nfs/dbraw/zinc/91/46/78/572914678.db2.gz OARCVOHZYXINJV-DCAQKATOSA-N 1 3 186.343 1.946 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)C1CCCC1 86311468 572914175 /nfs/dbraw/zinc/91/41/75/572914175.db2.gz PZRXUNSIUAPCQX-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)C1CCCC1 86311468 572914178 /nfs/dbraw/zinc/91/41/78/572914178.db2.gz PZRXUNSIUAPCQX-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CNC[C@H](C)[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 86312827 572914684 /nfs/dbraw/zinc/91/46/84/572914684.db2.gz GUAZQDUQARILPA-BJDJZHNGSA-N 1 3 198.354 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)CC1CC1 86311904 572914186 /nfs/dbraw/zinc/91/41/86/572914186.db2.gz LQDSTHKHBUEWCD-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)CC1CC1 86311904 572914189 /nfs/dbraw/zinc/91/41/89/572914189.db2.gz LQDSTHKHBUEWCD-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)C1CCCC1 86311469 572914219 /nfs/dbraw/zinc/91/42/19/572914219.db2.gz PZRXUNSIUAPCQX-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)C1CCCC1 86311469 572914221 /nfs/dbraw/zinc/91/42/21/572914221.db2.gz PZRXUNSIUAPCQX-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](CC1CC1)C1CC1 86312724 572914236 /nfs/dbraw/zinc/91/42/36/572914236.db2.gz DHFSLVCVCFJDOJ-UWVGGRQHSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](CC1CC1)C1CC1 86312724 572914239 /nfs/dbraw/zinc/91/42/39/572914239.db2.gz DHFSLVCVCFJDOJ-UWVGGRQHSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[NH2+]C[C@@H](C)[C@H](C)N(C)CC 86311502 572914249 /nfs/dbraw/zinc/91/42/49/572914249.db2.gz DMEBUJDCRSWMMT-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC[N@H+](C)[C@H](C)[C@@H](C)CNC1CC1 86311513 572914427 /nfs/dbraw/zinc/91/44/27/572914427.db2.gz NOSYRUDJYRWCRM-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C)[C@H](C)[C@@H](C)CNC1CC1 86311513 572914430 /nfs/dbraw/zinc/91/44/30/572914430.db2.gz NOSYRUDJYRWCRM-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311513 572914432 /nfs/dbraw/zinc/91/44/32/572914432.db2.gz NOSYRUDJYRWCRM-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 86311768 572914440 /nfs/dbraw/zinc/91/44/40/572914440.db2.gz PBPLJHFAESNAEK-AXFHLTTASA-N 1 3 198.354 1.961 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 86311768 572914444 /nfs/dbraw/zinc/91/44/44/572914444.db2.gz PBPLJHFAESNAEK-AXFHLTTASA-N 1 3 198.354 1.961 10 0 ADAEHO CC(C)[NH2+]C[C@@H](C)[C@H](C)N(C)C 86311346 572914509 /nfs/dbraw/zinc/91/45/09/572914509.db2.gz SYERFFFGUWNGKN-ZJUUUORDSA-N 1 3 172.316 1.571 10 0 ADAEHO CN1CCC(C)(C)C[C@@H]2C[C@@H]([NH3+])C[C@@H]21 257629887 572914551 /nfs/dbraw/zinc/91/45/51/572914551.db2.gz JSCKWJXTQIONAS-AXFHLTTASA-N 1 3 196.338 1.844 10 0 ADAEHO CCCC[N@H+](C)[C@@H](C)[C@@H](C)CN 86311224 572914559 /nfs/dbraw/zinc/91/45/59/572914559.db2.gz BWIOINMVCOSSOV-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCCC[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311224 572914561 /nfs/dbraw/zinc/91/45/61/572914561.db2.gz BWIOINMVCOSSOV-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCCC[N@@H+](C)[C@H](C)[C@@H](C)CN 86311225 572914825 /nfs/dbraw/zinc/91/48/25/572914825.db2.gz BWIOINMVCOSSOV-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@H+](CC)[C@H](C)[C@@H](C)CNC 86311537 572914589 /nfs/dbraw/zinc/91/45/89/572914589.db2.gz HWUYLAGTDHHKAK-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[N@@H+](CC)[C@H](C)[C@@H](C)CNC 86311537 572914591 /nfs/dbraw/zinc/91/45/91/572914591.db2.gz HWUYLAGTDHHKAK-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)CC1CCC1 86312378 572914648 /nfs/dbraw/zinc/91/46/48/572914648.db2.gz GDDZJLSPZFRZHS-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)CC1CCC1 86312378 572914650 /nfs/dbraw/zinc/91/46/50/572914650.db2.gz GDDZJLSPZFRZHS-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)C1CCCC1 86311471 572914660 /nfs/dbraw/zinc/91/46/60/572914660.db2.gz PZRXUNSIUAPCQX-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)C1CCCC1 86311471 572914661 /nfs/dbraw/zinc/91/46/61/572914661.db2.gz PZRXUNSIUAPCQX-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[NH2+]C[C@H](C)[C@@H](C)N(C)C 86311345 572914709 /nfs/dbraw/zinc/91/47/09/572914709.db2.gz SYERFFFGUWNGKN-VHSXEESVSA-N 1 3 172.316 1.571 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)C(C)C 86311255 572914723 /nfs/dbraw/zinc/91/47/23/572914723.db2.gz SRKFTMKQKKRKQI-VHSXEESVSA-N 1 3 172.316 1.571 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)C(C)C 86311255 572914726 /nfs/dbraw/zinc/91/47/26/572914726.db2.gz SRKFTMKQKKRKQI-VHSXEESVSA-N 1 3 172.316 1.571 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86311554 572914737 /nfs/dbraw/zinc/91/47/37/572914737.db2.gz WXHUZSITAZCNEO-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86311554 572914740 /nfs/dbraw/zinc/91/47/40/572914740.db2.gz WXHUZSITAZCNEO-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[NH2+]C[C@@H](C)[C@H](C)N(C)C 86311334 572914752 /nfs/dbraw/zinc/91/47/52/572914752.db2.gz NOTMLGKBFLEYEY-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO CCCC[N@H+](C)[C@H](C)[C@@H](C)CN 86311225 572914821 /nfs/dbraw/zinc/91/48/21/572914821.db2.gz BWIOINMVCOSSOV-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CN1CCC(C)(C)C[C@@H]2C[C@H]([NH3+])C[C@H]21 257629889 572914824 /nfs/dbraw/zinc/91/48/24/572914824.db2.gz JSCKWJXTQIONAS-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)CC(C)C 86311613 572914839 /nfs/dbraw/zinc/91/48/39/572914839.db2.gz ZJGMJNSQVAULJA-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)CC(C)C 86311613 572914843 /nfs/dbraw/zinc/91/48/43/572914843.db2.gz ZJGMJNSQVAULJA-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 86312627 572914890 /nfs/dbraw/zinc/91/48/90/572914890.db2.gz UGINRNLKVMNYAS-BJDJZHNGSA-N 1 3 198.354 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 86312627 572914893 /nfs/dbraw/zinc/91/48/93/572914893.db2.gz UGINRNLKVMNYAS-BJDJZHNGSA-N 1 3 198.354 1.818 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C1CC1 86311770 572914922 /nfs/dbraw/zinc/91/49/22/572914922.db2.gz PBPLJHFAESNAEK-DCAQKATOSA-N 1 3 198.354 1.961 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 86311770 572914925 /nfs/dbraw/zinc/91/49/25/572914925.db2.gz PBPLJHFAESNAEK-DCAQKATOSA-N 1 3 198.354 1.961 10 0 ADAEHO CN1CCC(C)(C)C[C@@H]2C[C@@H]([NH3+])C[C@H]21 257629890 572914965 /nfs/dbraw/zinc/91/49/65/572914965.db2.gz JSCKWJXTQIONAS-HBNTYKKESA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[N@H+](CC)[C@H](C)[C@@H](C)CN 86311543 572915043 /nfs/dbraw/zinc/91/50/43/572915043.db2.gz YMIUXRGCQGMCFD-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@@H+](CC)[C@H](C)[C@@H](C)CN 86311543 572915048 /nfs/dbraw/zinc/91/50/48/572915048.db2.gz YMIUXRGCQGMCFD-VHSXEESVSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H](C[NH3+])CCNCc1cscn1 87999660 572915153 /nfs/dbraw/zinc/91/51/53/572915153.db2.gz XFVFONYQILNRNJ-QMMMGPOBSA-N 1 3 199.323 1.218 10 0 ADAEHO CCC[N@H+](C)[C@H](C)[C@@H](C)CN 86311453 572915117 /nfs/dbraw/zinc/91/51/17/572915117.db2.gz RYUPLYQFKHMVGJ-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CCC[N@@H+](C)[C@H](C)[C@@H](C)CN 86311453 572915119 /nfs/dbraw/zinc/91/51/19/572915119.db2.gz RYUPLYQFKHMVGJ-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@@H]([C@H](C)C[NH2+]C(C)(C)C)N(C)C 86311343 572915122 /nfs/dbraw/zinc/91/51/22/572915122.db2.gz LSJQQQCNQVWCSM-ZJUUUORDSA-N 1 3 186.343 1.961 10 0 ADAEHO C[C@@H](C[NH3+])CCNCc1cscn1 87999661 572915155 /nfs/dbraw/zinc/91/51/55/572915155.db2.gz XFVFONYQILNRNJ-MRVPVSSYSA-N 1 3 199.323 1.218 10 0 ADAEHO c1cc(C2C[NH2+]C2)n(-c2ccncc2)c1 237994250 572915508 /nfs/dbraw/zinc/91/55/08/572915508.db2.gz KQJUCDNPXVCSHR-UHFFFAOYSA-N 1 3 199.257 1.559 10 0 ADAEHO C1C[NH2+][C@@H]2[C@H](C1)CN1CCCC[C@H]21 257641487 572915740 /nfs/dbraw/zinc/91/57/40/572915740.db2.gz HVHKVSMTGDALPW-GMTAPVOTSA-N 1 3 180.295 1.223 10 0 ADAEHO CC[N@H+](C[C@H](C)CN)CC(C)(C)C 308188868 572916831 /nfs/dbraw/zinc/91/68/31/572916831.db2.gz HQWGKTDRYLWUTR-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[N@@H+](C[C@H](C)CN)CC(C)(C)C 308188868 572916832 /nfs/dbraw/zinc/91/68/32/572916832.db2.gz HQWGKTDRYLWUTR-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO C1C[NH2+][C@@H]2[C@@H](C1)CN1CCCC[C@@H]21 257641485 572916455 /nfs/dbraw/zinc/91/64/55/572916455.db2.gz HVHKVSMTGDALPW-GARJFASQSA-N 1 3 180.295 1.223 10 0 ADAEHO C[NH2+]C(C)(C)CN[C@@H](C)C1CCC1 308188495 572917302 /nfs/dbraw/zinc/91/73/02/572917302.db2.gz HMVDTTGOMRAWOZ-VIFPVBQESA-N 1 3 184.327 1.763 10 0 ADAEHO CC1CC(NC[C@H]([NH3+])CC2CC2)C1 308188887 572917520 /nfs/dbraw/zinc/91/75/20/572917520.db2.gz MBKJRJOOWKOEMD-LDGBHUKOSA-N 1 3 182.311 1.502 10 0 ADAEHO C1C[NH2+][C@@H]2[C@@H](C1)CN1CCCC[C@H]21 257641488 572917591 /nfs/dbraw/zinc/91/75/91/572917591.db2.gz HVHKVSMTGDALPW-HBNTYKKESA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](CC2(C)CC2)C1 235400746 572918348 /nfs/dbraw/zinc/91/83/48/572918348.db2.gz UXQWNJSPBQWVSQ-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](CC2(C)CC2)C1 235400746 572918350 /nfs/dbraw/zinc/91/83/50/572918350.db2.gz UXQWNJSPBQWVSQ-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN(CC2(C)CC2)C1 235400746 572918353 /nfs/dbraw/zinc/91/83/53/572918353.db2.gz UXQWNJSPBQWVSQ-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)C[N@H+]1CCC[C@@H]1C[C@@H](C)N 308189500 572918912 /nfs/dbraw/zinc/91/89/12/572918912.db2.gz IEVGDWDVEFFWEN-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@@H+]1CCC[C@H]1C[C@@H](C)N 308189501 572918662 /nfs/dbraw/zinc/91/86/62/572918662.db2.gz IEVGDWDVEFFWEN-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@H+]1CCC[C@H]1C[C@@H](C)N 308189501 572918664 /nfs/dbraw/zinc/91/86/64/572918664.db2.gz IEVGDWDVEFFWEN-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@@H+]1CCC[C@@H]1C[C@@H](C)N 308189500 572918908 /nfs/dbraw/zinc/91/89/08/572918908.db2.gz IEVGDWDVEFFWEN-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CCC[NH3+])NCc1cncs1 308189854 572919506 /nfs/dbraw/zinc/91/95/06/572919506.db2.gz IQYGQZCCDLICRD-QMMMGPOBSA-N 1 3 199.323 1.360 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H](C)[C@H](C)CNC 252603099 572920566 /nfs/dbraw/zinc/92/05/66/572920566.db2.gz NTESTWWRMDIVIG-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H](C)[C@H](C)CNC 252603099 572920569 /nfs/dbraw/zinc/92/05/69/572920569.db2.gz NTESTWWRMDIVIG-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C[NH2+]CCCCF)=C1CNC1 308192534 572920966 /nfs/dbraw/zinc/92/09/66/572920966.db2.gz KMAAFJLTLXFTJG-UHFFFAOYSA-N 1 3 186.274 1.245 10 0 ADAEHO CN1CCC[C@@H]1[C@@H]([NH3+])C(C)(C)C 83963427 572920943 /nfs/dbraw/zinc/92/09/43/572920943.db2.gz LFIHQCWVURDYTL-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CN1CCC[C@H]1[C@@H]([NH3+])C(C)(C)C 83963425 572921026 /nfs/dbraw/zinc/92/10/26/572921026.db2.gz LFIHQCWVURDYTL-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CN1CCC[C@@H]1[C@H]([NH3+])C(C)(C)C 83963428 572921689 /nfs/dbraw/zinc/92/16/89/572921689.db2.gz LFIHQCWVURDYTL-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCC[C@@H](C)N(C)CCC(N)=[NH2+] 308192903 572922206 /nfs/dbraw/zinc/92/22/06/572922206.db2.gz KPWQTAOLGWZABW-SECBINFHSA-N 1 3 185.315 1.823 10 0 ADAEHO CN1CCC[C@H]1[C@H]([NH3+])C(C)(C)C 83963426 572922232 /nfs/dbraw/zinc/92/22/32/572922232.db2.gz LFIHQCWVURDYTL-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H](C)[C@H](C)CNC 252603098 572922254 /nfs/dbraw/zinc/92/22/54/572922254.db2.gz NTESTWWRMDIVIG-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H](C)[C@H](C)CNC 252603098 572922258 /nfs/dbraw/zinc/92/22/58/572922258.db2.gz NTESTWWRMDIVIG-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C(C(C)C)[N@H+](C)CCCN 308192953 572922713 /nfs/dbraw/zinc/92/27/13/572922713.db2.gz KTVCYSPMWJEGOB-UHFFFAOYSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C(C(C)C)[N@@H+](C)CCCN 308192953 572922714 /nfs/dbraw/zinc/92/27/14/572922714.db2.gz KTVCYSPMWJEGOB-UHFFFAOYSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](C)[C@H](N)C(C)(C)[NH+](C)C 86392540 572930108 /nfs/dbraw/zinc/93/01/08/572930108.db2.gz YFXJQOHHLLTHOE-BDAKNGLRSA-N 1 3 172.316 1.700 10 0 ADAEHO CCC[C@H](C1CC1)[N@H+](C)CCCN 308194460 572925071 /nfs/dbraw/zinc/92/50/71/572925071.db2.gz PYZCXVXKCSPHRG-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C1CC1)[N@@H+](C)CCCN 308194460 572925074 /nfs/dbraw/zinc/92/50/74/572925074.db2.gz PYZCXVXKCSPHRG-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1C[C@@H]1[NH2+]C[C@H]1CCCNC1 308191534 572925852 /nfs/dbraw/zinc/92/58/52/572925852.db2.gz NZYVIOOVLJIRSE-DCAQKATOSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H]1C[C@@H]1NC[C@H]1CCC[NH2+]C1 308191534 572925853 /nfs/dbraw/zinc/92/58/53/572925853.db2.gz NZYVIOOVLJIRSE-DCAQKATOSA-N 1 3 182.311 1.374 10 0 ADAEHO CCNC[C@H]1CCC[N@@H+]1[C@H](C)CC 86386646 572926362 /nfs/dbraw/zinc/92/63/62/572926362.db2.gz CANHJEBJZOJRET-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@H]1CCC[N@H+]1[C@H](C)CC 86386646 572926365 /nfs/dbraw/zinc/92/63/65/572926365.db2.gz CANHJEBJZOJRET-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@H]1CCC[N@@H+]1[C@@H](C)CC 86386647 572926539 /nfs/dbraw/zinc/92/65/39/572926539.db2.gz CANHJEBJZOJRET-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@H]1CCC[N@H+]1[C@@H](C)CC 86386647 572926542 /nfs/dbraw/zinc/92/65/42/572926542.db2.gz CANHJEBJZOJRET-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](CCCF)C1 308201544 572928080 /nfs/dbraw/zinc/92/80/80/572928080.db2.gz QEPHGPDTVAXQNH-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](CCCF)C1 308201544 572928082 /nfs/dbraw/zinc/92/80/82/572928082.db2.gz QEPHGPDTVAXQNH-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO [NH3+]C[C@@H]1CCCCN(CCCF)C1 308201544 572928084 /nfs/dbraw/zinc/92/80/84/572928084.db2.gz QEPHGPDTVAXQNH-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO CCCCOCC[NH2+]CC(C)(C)N 308200767 572928566 /nfs/dbraw/zinc/92/85/66/572928566.db2.gz PQOIXYGPGXXNSU-UHFFFAOYSA-N 1 3 188.315 1.130 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)N=CN2C(C)C 250529650 572928602 /nfs/dbraw/zinc/92/86/02/572928602.db2.gz WOKPFFNGBOILIT-OUAUKWLOSA-N 1 3 195.310 1.248 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)N=CN2C(C)C 250529646 572928613 /nfs/dbraw/zinc/92/86/13/572928613.db2.gz WOKPFFNGBOILIT-MXWKQRLJSA-N 1 3 195.310 1.248 10 0 ADAEHO NC[C@H]1CCCC[N@H+](CCCF)C1 308201545 572928759 /nfs/dbraw/zinc/92/87/59/572928759.db2.gz QEPHGPDTVAXQNH-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](CCCF)C1 308201545 572928762 /nfs/dbraw/zinc/92/87/62/572928762.db2.gz QEPHGPDTVAXQNH-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO [NH3+]C[C@H]1CCCCN(CCCF)C1 308201545 572928765 /nfs/dbraw/zinc/92/87/65/572928765.db2.gz QEPHGPDTVAXQNH-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO CC[C@H](C)[C@H](N)C(C)(C)[NH+](C)C 86392542 572929364 /nfs/dbraw/zinc/92/93/64/572929364.db2.gz YFXJQOHHLLTHOE-IUCAKERBSA-N 1 3 172.316 1.700 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H]2[C@@H](C1)N=CN2C(C)C 250529642 572929506 /nfs/dbraw/zinc/92/95/06/572929506.db2.gz WOKPFFNGBOILIT-GMTAPVOTSA-N 1 3 195.310 1.248 10 0 ADAEHO CC[C@@H](C)[C@@H](N)C(C)(C)[NH+](C)C 86392544 572929870 /nfs/dbraw/zinc/92/98/70/572929870.db2.gz YFXJQOHHLLTHOE-RKDXNWHRSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[C@H](C)[C@@H](N)C(C)(C)[NH+](C)C 86392547 572930088 /nfs/dbraw/zinc/93/00/88/572930088.db2.gz YFXJQOHHLLTHOE-DTWKUNHWSA-N 1 3 172.316 1.700 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CCCF)C1 88024558 572930142 /nfs/dbraw/zinc/93/01/42/572930142.db2.gz CHUXETTYALUPSC-JTQLQIEISA-N 1 3 188.290 1.277 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CC[C@H](N)C1 86396922 572930271 /nfs/dbraw/zinc/93/02/71/572930271.db2.gz VMMJGAPORXPKLU-WPRPVWTQSA-N 1 3 170.300 1.644 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@H]1CC[C@H](N)C1 86400741 572930283 /nfs/dbraw/zinc/93/02/83/572930283.db2.gz RINQSPUWEULHEM-MIMYLULJSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](N)C1 86400360 572930419 /nfs/dbraw/zinc/93/04/19/572930419.db2.gz ZAXQNWUHODSOEQ-LPEHRKFASA-N 1 3 170.300 1.502 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 86397816 572930409 /nfs/dbraw/zinc/93/04/09/572930409.db2.gz DYTCGIGNTNKJBI-WDEREUQCSA-N 1 3 194.322 1.644 10 0 ADAEHO C[C@@H](CC(F)(F)F)NC/C=C\C[NH3+] 308202654 572930536 /nfs/dbraw/zinc/93/05/36/572930536.db2.gz QSKXQEJZTSAONO-XDVGHUOJSA-N 1 3 196.216 1.432 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]CCC2CC2)C1 86401192 572930515 /nfs/dbraw/zinc/93/05/15/572930515.db2.gz GNAXRJVPZNSKNG-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@H](CC(F)(F)F)NC/C=C\C[NH3+] 308202380 572930628 /nfs/dbraw/zinc/93/06/28/572930628.db2.gz QSKXQEJZTSAONO-SKRYNEFJSA-N 1 3 196.216 1.432 10 0 ADAEHO CC(C)CC[NH2+][C@@H]1CC[C@@H](N)C1 86397212 572930725 /nfs/dbraw/zinc/93/07/25/572930725.db2.gz UHMYBQJGVUGSST-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86397041 572930756 /nfs/dbraw/zinc/93/07/56/572930756.db2.gz NEDIFXCYPUBBNI-GUBZILKMSA-N 1 3 170.300 1.644 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CCCF)C1 88024557 572930775 /nfs/dbraw/zinc/93/07/75/572930775.db2.gz CHUXETTYALUPSC-SNVBAGLBSA-N 1 3 188.290 1.277 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](NCCc2ccco2)C1 86398414 572930796 /nfs/dbraw/zinc/93/07/96/572930796.db2.gz CWFHQMXLSUWUMA-NXEZZACHSA-N 1 3 194.278 1.292 10 0 ADAEHO FCCC[NH2+]CCCN1CCCC1 88024917 572930815 /nfs/dbraw/zinc/93/08/15/572930815.db2.gz BCJXYFUDSRYGAM-UHFFFAOYSA-N 1 3 188.290 1.422 10 0 ADAEHO FCCCNCCC[NH+]1CCCC1 88024917 572930820 /nfs/dbraw/zinc/93/08/20/572930820.db2.gz BCJXYFUDSRYGAM-UHFFFAOYSA-N 1 3 188.290 1.422 10 0 ADAEHO C=COCCC[NH2+][C@@H]1CCC[C@@H](N)C1 86402465 572931097 /nfs/dbraw/zinc/93/10/97/572931097.db2.gz DIWKCAHQSYQFJE-GHMZBOCLSA-N 1 3 198.310 1.396 10 0 ADAEHO C=COCCC[NH2+][C@@H]1CC[C@@H](N)C1 86398030 572931142 /nfs/dbraw/zinc/93/11/42/572931142.db2.gz VPFYAIQXFCSSHE-NXEZZACHSA-N 1 3 184.283 1.006 10 0 ADAEHO CC(C)CC[NH2+][C@@H]1CC[C@H](N)C1 86397207 572931181 /nfs/dbraw/zinc/93/11/81/572931181.db2.gz UHMYBQJGVUGSST-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](N)C1 86400364 572931195 /nfs/dbraw/zinc/93/11/95/572931195.db2.gz ZAXQNWUHODSOEQ-GUBZILKMSA-N 1 3 170.300 1.502 10 0 ADAEHO C=COCCC[NH2+][C@@H]1CC[C@H](N)C1 86398026 572931265 /nfs/dbraw/zinc/93/12/65/572931265.db2.gz VPFYAIQXFCSSHE-VHSXEESVSA-N 1 3 184.283 1.006 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](NCCc2ccco2)C1 86398411 572931353 /nfs/dbraw/zinc/93/13/53/572931353.db2.gz CWFHQMXLSUWUMA-VHSXEESVSA-N 1 3 194.278 1.292 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CC[C@@H](N)C1 86396924 572931364 /nfs/dbraw/zinc/93/13/64/572931364.db2.gz VMMJGAPORXPKLU-PSASIEDQSA-N 1 3 170.300 1.644 10 0 ADAEHO CC(C)CCC[NH2+][C@H]1CC[C@@H](N)C1 86399548 572931386 /nfs/dbraw/zinc/93/13/86/572931386.db2.gz HASXBGAHWQYPFN-MNOVXSKESA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CC[C@H](N)C1 86400936 572931536 /nfs/dbraw/zinc/93/15/36/572931536.db2.gz FXXXANAQMOOQGE-OUAUKWLOSA-N 1 3 184.327 1.748 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](NCCC(F)(F)F)C1 86400489 572931562 /nfs/dbraw/zinc/93/15/62/572931562.db2.gz RUMATLPRGCUZOX-NKWVEPMBSA-N 1 3 196.216 1.408 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H](N)C1 86400738 572931515 /nfs/dbraw/zinc/93/15/15/572931515.db2.gz RINQSPUWEULHEM-DVVUODLYSA-N 1 3 182.311 1.644 10 0 ADAEHO CC(C)CC[NH2+][C@H]1CC[C@@H](N)C1 86397213 572931519 /nfs/dbraw/zinc/93/15/19/572931519.db2.gz UHMYBQJGVUGSST-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)CCC[NH2+][C@H]1CC[C@H](N)C1 86399545 572931836 /nfs/dbraw/zinc/93/18/36/572931836.db2.gz HASXBGAHWQYPFN-QWRGUYRKSA-N 1 3 184.327 1.892 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](NCCC(F)(F)F)C1 86400486 572931848 /nfs/dbraw/zinc/93/18/48/572931848.db2.gz RUMATLPRGCUZOX-RNFRBKRXSA-N 1 3 196.216 1.408 10 0 ADAEHO CSCCC[NH2+][C@H]1CC[C@H](N)C1 86400721 572931888 /nfs/dbraw/zinc/93/18/88/572931888.db2.gz HBYVNWUQWRUJAB-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO C[N@H+](CCCF)[C@H]1CCC[C@@H]1CN 88026411 572931934 /nfs/dbraw/zinc/93/19/34/572931934.db2.gz YRUTVIBEEIIAIP-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO C[N@@H+](CCCF)[C@H]1CCC[C@@H]1CN 88026411 572931937 /nfs/dbraw/zinc/93/19/37/572931937.db2.gz YRUTVIBEEIIAIP-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO CN(CCCF)[C@H]1CCC[C@@H]1C[NH3+] 88026411 572931940 /nfs/dbraw/zinc/93/19/40/572931940.db2.gz YRUTVIBEEIIAIP-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H]1CC[C@H](N)C1 86400940 572931955 /nfs/dbraw/zinc/93/19/55/572931955.db2.gz FXXXANAQMOOQGE-VWYCJHECSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)CC[NH2+][C@H]1CC[C@H](N)C1 86397209 572932081 /nfs/dbraw/zinc/93/20/81/572932081.db2.gz UHMYBQJGVUGSST-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCCC[NH2+][C@H]1CC[C@@H](N)C1 86397006 572932125 /nfs/dbraw/zinc/93/21/25/572932125.db2.gz CKEPDPSYRWPTAJ-ZJUUUORDSA-N 1 3 170.300 1.646 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CC[C@H](N)C1)C(C)C 86399782 572932131 /nfs/dbraw/zinc/93/21/31/572932131.db2.gz OFDNMPQCMOZCNO-DCAQKATOSA-N 1 3 184.327 1.890 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]CCC2CC2)C1 86401191 572932266 /nfs/dbraw/zinc/93/22/66/572932266.db2.gz GNAXRJVPZNSKNG-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](NCCc2ccco2)C1 86398416 572932290 /nfs/dbraw/zinc/93/22/90/572932290.db2.gz CWFHQMXLSUWUMA-ZJUUUORDSA-N 1 3 194.278 1.292 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 86397823 572932296 /nfs/dbraw/zinc/93/22/96/572932296.db2.gz DYTCGIGNTNKJBI-MNOVXSKESA-N 1 3 194.322 1.644 10 0 ADAEHO [NH3+][C@H]1CC[C@H](NCCc2ccco2)C1 86398413 572932314 /nfs/dbraw/zinc/93/23/14/572932314.db2.gz CWFHQMXLSUWUMA-UWVGGRQHSA-N 1 3 194.278 1.292 10 0 ADAEHO CSCCC[NH2+][C@@H]1CC[C@@H](N)C1 86400723 572932339 /nfs/dbraw/zinc/93/23/39/572932339.db2.gz HBYVNWUQWRUJAB-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO C=COCCC[NH2+][C@H]1CCC[C@H](N)C1 86402464 572932422 /nfs/dbraw/zinc/93/24/22/572932422.db2.gz DIWKCAHQSYQFJE-QWRGUYRKSA-N 1 3 198.310 1.396 10 0 ADAEHO C=COCCC[NH2+][C@H]1CC[C@@H](N)C1 86398031 572932467 /nfs/dbraw/zinc/93/24/67/572932467.db2.gz VPFYAIQXFCSSHE-ZJUUUORDSA-N 1 3 184.283 1.006 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86398353 572932489 /nfs/dbraw/zinc/93/24/89/572932489.db2.gz IAXXPXOKDWGQNG-DCAQKATOSA-N 1 3 184.327 1.890 10 0 ADAEHO CCCCC[NH2+][C@@H]1CC[C@@H](N)C1 86397004 572932620 /nfs/dbraw/zinc/93/26/20/572932620.db2.gz CKEPDPSYRWPTAJ-NXEZZACHSA-N 1 3 170.300 1.646 10 0 ADAEHO CSCCC[NH2+][C@H]1CC[C@@H](N)C1 86400726 572932629 /nfs/dbraw/zinc/93/26/29/572932629.db2.gz HBYVNWUQWRUJAB-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 86401186 572932718 /nfs/dbraw/zinc/93/27/18/572932718.db2.gz GNAXRJVPZNSKNG-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86397036 572932737 /nfs/dbraw/zinc/93/27/37/572932737.db2.gz NEDIFXCYPUBBNI-LPEHRKFASA-N 1 3 170.300 1.644 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CC[C@H](N)C1)C(C)C 86399779 572932747 /nfs/dbraw/zinc/93/27/47/572932747.db2.gz OFDNMPQCMOZCNO-AXFHLTTASA-N 1 3 184.327 1.890 10 0 ADAEHO CC(C)CCC[NH2+][C@@H]1CC[C@@H](N)C1 86399546 572932773 /nfs/dbraw/zinc/93/27/73/572932773.db2.gz HASXBGAHWQYPFN-GHMZBOCLSA-N 1 3 184.327 1.892 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]CCC2CC2)C1 86401189 572932799 /nfs/dbraw/zinc/93/27/99/572932799.db2.gz GNAXRJVPZNSKNG-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 86397819 572932821 /nfs/dbraw/zinc/93/28/21/572932821.db2.gz DYTCGIGNTNKJBI-QWRGUYRKSA-N 1 3 194.322 1.644 10 0 ADAEHO CSCCC[NH2+][C@@H]1CC[C@H](N)C1 86400719 572932847 /nfs/dbraw/zinc/93/28/47/572932847.db2.gz HBYVNWUQWRUJAB-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](NCCC(F)(F)F)C1 86400484 572932953 /nfs/dbraw/zinc/93/29/53/572932953.db2.gz RUMATLPRGCUZOX-RQJHMYQMSA-N 1 3 196.216 1.408 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CC[C@@H](N)C1 86396925 572933018 /nfs/dbraw/zinc/93/30/18/572933018.db2.gz VMMJGAPORXPKLU-SCZZXKLOSA-N 1 3 170.300 1.644 10 0 ADAEHO C=COCCC[NH2+][C@@H]1CCC[C@H](N)C1 86402462 572933030 /nfs/dbraw/zinc/93/30/30/572933030.db2.gz DIWKCAHQSYQFJE-WDEREUQCSA-N 1 3 198.310 1.396 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86398349 572933066 /nfs/dbraw/zinc/93/30/66/572933066.db2.gz IAXXPXOKDWGQNG-GARJFASQSA-N 1 3 184.327 1.890 10 0 ADAEHO CCCCC[NH2+][C@H]1CC[C@H](N)C1 86397002 572933079 /nfs/dbraw/zinc/93/30/79/572933079.db2.gz CKEPDPSYRWPTAJ-UWVGGRQHSA-N 1 3 170.300 1.646 10 0 ADAEHO CC[N@H+](CCCF)C1CCNCC1 88026313 572933121 /nfs/dbraw/zinc/93/31/21/572933121.db2.gz YYWOWXYUCFGOBM-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO CC[N@@H+](CCCF)C1CCNCC1 88026313 572933123 /nfs/dbraw/zinc/93/31/23/572933123.db2.gz YYWOWXYUCFGOBM-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO CCN(CCCF)C1CC[NH2+]CC1 88026313 572933125 /nfs/dbraw/zinc/93/31/25/572933125.db2.gz YYWOWXYUCFGOBM-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO CCN(CCCF)CC(C)(C)C[NH3+] 88026443 572933295 /nfs/dbraw/zinc/93/32/95/572933295.db2.gz HIEKYNABLYLGNC-UHFFFAOYSA-N 1 3 190.306 1.653 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CC[C@H](N)C1 86409881 572933680 /nfs/dbraw/zinc/93/36/80/572933680.db2.gz DIZJIHGDICJQIJ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CC[C@H](N)C1 86409881 572933683 /nfs/dbraw/zinc/93/36/83/572933683.db2.gz DIZJIHGDICJQIJ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCCN(C)[C@H]1CC[C@H]([NH3+])C1 86409881 572933687 /nfs/dbraw/zinc/93/36/87/572933687.db2.gz DIZJIHGDICJQIJ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CCC[C@H](N)C1 86409878 572934680 /nfs/dbraw/zinc/93/46/80/572934680.db2.gz ZXSOYGBWHSHTNG-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CCC[C@H](N)C1 86409878 572934681 /nfs/dbraw/zinc/93/46/81/572934681.db2.gz ZXSOYGBWHSHTNG-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[N@H+](CC)[C@@H]1CC[C@H](N)C1 86409893 572934098 /nfs/dbraw/zinc/93/40/98/572934098.db2.gz QYZGCRBORUKFLJ-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[N@@H+](CC)[C@@H]1CC[C@H](N)C1 86409893 572934101 /nfs/dbraw/zinc/93/41/01/572934101.db2.gz QYZGCRBORUKFLJ-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[NH+](CCC)[C@@H]1CC[C@H](N)C1 86409703 572934717 /nfs/dbraw/zinc/93/47/17/572934717.db2.gz VPLNMJXMMCMIPO-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[N@H+](CC)[C@H]1CC[C@H](N)C1 86409894 572934495 /nfs/dbraw/zinc/93/44/95/572934495.db2.gz QYZGCRBORUKFLJ-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[N@@H+](CC)[C@H]1CC[C@H](N)C1 86409894 572934500 /nfs/dbraw/zinc/93/45/00/572934500.db2.gz QYZGCRBORUKFLJ-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CSCCC[C@@H](C[NH3+])NC1CC1 231732136 572934799 /nfs/dbraw/zinc/93/47/99/572934799.db2.gz XTZKVNQBTMAECU-VIFPVBQESA-N 1 3 188.340 1.209 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CCC[C@H](N)C1 86432913 572935885 /nfs/dbraw/zinc/93/58/85/572935885.db2.gz BPVBOAWLLYRFOC-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[NH+](CCC)[C@@H]1CC[C@@H](N)C1 86409708 572935156 /nfs/dbraw/zinc/93/51/56/572935156.db2.gz VPLNMJXMMCMIPO-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[NH+](CCC)[C@H]1CC[C@@H](N)C1 86409709 572935175 /nfs/dbraw/zinc/93/51/75/572935175.db2.gz VPLNMJXMMCMIPO-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCCCNCC1([NH2+]C)CCCC1 308206010 572935472 /nfs/dbraw/zinc/93/54/72/572935472.db2.gz SYBASMQUSONWSA-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CCC[C@H](N)C1 86432913 572935889 /nfs/dbraw/zinc/93/58/89/572935889.db2.gz BPVBOAWLLYRFOC-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[N@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86432462 572936430 /nfs/dbraw/zinc/93/64/30/572936430.db2.gz OHPJXRFIBHCAEG-NWDGAFQWSA-N 1 3 196.338 1.987 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86431486 572936316 /nfs/dbraw/zinc/93/63/16/572936316.db2.gz KWFVGSJYGQLLPO-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86431486 572936319 /nfs/dbraw/zinc/93/63/19/572936319.db2.gz KWFVGSJYGQLLPO-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86432462 572936432 /nfs/dbraw/zinc/93/64/32/572936432.db2.gz OHPJXRFIBHCAEG-NWDGAFQWSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[N@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86432463 572936719 /nfs/dbraw/zinc/93/67/19/572936719.db2.gz OHPJXRFIBHCAEG-RYUDHWBXSA-N 1 3 196.338 1.987 10 0 ADAEHO CCCC[C@@H](C)[N@@H+]1CC[C@H](CN)C1 50889185 572936891 /nfs/dbraw/zinc/93/68/91/572936891.db2.gz NVLHBKYAOPZRFN-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86432916 572936576 /nfs/dbraw/zinc/93/65/76/572936576.db2.gz JCDMIDHZVPXZGH-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86432916 572936577 /nfs/dbraw/zinc/93/65/77/572936577.db2.gz JCDMIDHZVPXZGH-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)CC[N@H+](C)[C@@H]1CC[C@H](N)C1 86431844 572937052 /nfs/dbraw/zinc/93/70/52/572937052.db2.gz APVWHLFVDDMNLM-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@H+](C1CC1)[C@H]1CC[C@H](N)C1 86432431 572937042 /nfs/dbraw/zinc/93/70/42/572937042.db2.gz JBUFBIRCSVEKMZ-JQWIXIFHSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86432463 572936722 /nfs/dbraw/zinc/93/67/22/572936722.db2.gz OHPJXRFIBHCAEG-RYUDHWBXSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)C[N@@H+](C1CC1)[C@H]1CC[C@H](N)C1 86432431 572937044 /nfs/dbraw/zinc/93/70/44/572937044.db2.gz JBUFBIRCSVEKMZ-JQWIXIFHSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)C[N@H+](C1CC1)[C@@H]1CC[C@H](N)C1 86432429 572936827 /nfs/dbraw/zinc/93/68/27/572936827.db2.gz JBUFBIRCSVEKMZ-CMPLNLGQSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)C[N@@H+](C1CC1)[C@@H]1CC[C@H](N)C1 86432429 572936831 /nfs/dbraw/zinc/93/68/31/572936831.db2.gz JBUFBIRCSVEKMZ-CMPLNLGQSA-N 1 3 196.338 1.987 10 0 ADAEHO CCCC[C@@H](C)[N@H+]1CC[C@H](CN)C1 50889185 572936894 /nfs/dbraw/zinc/93/68/94/572936894.db2.gz NVLHBKYAOPZRFN-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[N@H+](C)[C@H]1CC[C@H](N)C1 86431847 572936971 /nfs/dbraw/zinc/93/69/71/572936971.db2.gz APVWHLFVDDMNLM-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@H]1CC[C@H](N)C1 86431847 572936973 /nfs/dbraw/zinc/93/69/73/572936973.db2.gz APVWHLFVDDMNLM-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CCN(C)[C@H]1CC[C@H]([NH3+])C1 86431847 572936976 /nfs/dbraw/zinc/93/69/76/572936976.db2.gz APVWHLFVDDMNLM-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1C[N@H+](CCCF)CCCN1 88027522 572937526 /nfs/dbraw/zinc/93/75/26/572937526.db2.gz OHXGRWQRXYMZFL-SNVBAGLBSA-N 1 3 188.290 1.420 10 0 ADAEHO CC[C@@H]1C[N@@H+](CCCF)CCCN1 88027522 572937529 /nfs/dbraw/zinc/93/75/29/572937529.db2.gz OHXGRWQRXYMZFL-SNVBAGLBSA-N 1 3 188.290 1.420 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CCC[C@H](N)C1 86432914 572937604 /nfs/dbraw/zinc/93/76/04/572937604.db2.gz BPVBOAWLLYRFOC-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CCC[C@H](N)C1 86432914 572937605 /nfs/dbraw/zinc/93/76/05/572937605.db2.gz BPVBOAWLLYRFOC-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO N[C@H]1CC[C@H]([N@H+](CC2CC2)C2CC2)C1 86432968 572938040 /nfs/dbraw/zinc/93/80/40/572938040.db2.gz DRTWZBCEWLKOGP-JQWIXIFHSA-N 1 3 194.322 1.741 10 0 ADAEHO N[C@H]1CC[C@H]([N@@H+](CC2CC2)C2CC2)C1 86432968 572938043 /nfs/dbraw/zinc/93/80/43/572938043.db2.gz DRTWZBCEWLKOGP-JQWIXIFHSA-N 1 3 194.322 1.741 10 0 ADAEHO N[C@H]1CC[C@@H]([N@H+](CC2CC2)C2CC2)C1 86432967 572938450 /nfs/dbraw/zinc/93/84/50/572938450.db2.gz DRTWZBCEWLKOGP-CMPLNLGQSA-N 1 3 194.322 1.741 10 0 ADAEHO N[C@H]1CC[C@@H]([N@@H+](CC2CC2)C2CC2)C1 86432967 572938454 /nfs/dbraw/zinc/93/84/54/572938454.db2.gz DRTWZBCEWLKOGP-CMPLNLGQSA-N 1 3 194.322 1.741 10 0 ADAEHO CC[C@](C)(CNC(C)(C)C[NH3+])OC 308196138 572938951 /nfs/dbraw/zinc/93/89/51/572938951.db2.gz RBZMAEWAGWBCAI-SNVBAGLBSA-N 1 3 188.315 1.128 10 0 ADAEHO C[NH2+]C1(CNCCCCF)CCC1 308196231 572939131 /nfs/dbraw/zinc/93/91/31/572939131.db2.gz MRYMDNBTPMFXNO-UHFFFAOYSA-N 1 3 188.290 1.468 10 0 ADAEHO C[C@@H](Cc1cccs1)[N@H+](C)CCN 86440658 572939368 /nfs/dbraw/zinc/93/93/68/572939368.db2.gz RRBWRAXRSFSDGP-VIFPVBQESA-N 1 3 198.335 1.570 10 0 ADAEHO C[C@@H](Cc1cccs1)[N@@H+](C)CCN 86440658 572939370 /nfs/dbraw/zinc/93/93/70/572939370.db2.gz RRBWRAXRSFSDGP-VIFPVBQESA-N 1 3 198.335 1.570 10 0 ADAEHO C[C@H](Cc1cccs1)[N@H+](C)CCN 86440660 572939525 /nfs/dbraw/zinc/93/95/25/572939525.db2.gz RRBWRAXRSFSDGP-SECBINFHSA-N 1 3 198.335 1.570 10 0 ADAEHO C[C@H](Cc1cccs1)[N@@H+](C)CCN 86440660 572939528 /nfs/dbraw/zinc/93/95/28/572939528.db2.gz RRBWRAXRSFSDGP-SECBINFHSA-N 1 3 198.335 1.570 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@H](CN)C(C)C 238139741 572940385 /nfs/dbraw/zinc/94/03/85/572940385.db2.gz WQMLXMKGLNINSM-NXEZZACHSA-N 1 3 172.316 1.591 10 0 ADAEHO CN(C)CCCNC1=[NH+]CCCC1 86454462 572940698 /nfs/dbraw/zinc/94/06/98/572940698.db2.gz UKOOKNKCVNMNKJ-UHFFFAOYSA-N 1 3 183.299 1.110 10 0 ADAEHO C[C@@H](CCN(C)C)NC1=[NH+]CCC1 86455119 572940855 /nfs/dbraw/zinc/94/08/55/572940855.db2.gz BOEALLDEDHLNPK-VIFPVBQESA-N 1 3 183.299 1.109 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@@H](CN)C(C)C 238138776 572941308 /nfs/dbraw/zinc/94/13/08/572941308.db2.gz WQMLXMKGLNINSM-VHSXEESVSA-N 1 3 172.316 1.591 10 0 ADAEHO CC[NH2+]CCCN(C)CCC1CC1 308210340 572942030 /nfs/dbraw/zinc/94/20/30/572942030.db2.gz GCEFQCWYRKCSAN-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO C[C@@H](CCN(C)C)NC1=[NH+]CCCC1 86455123 572942061 /nfs/dbraw/zinc/94/20/61/572942061.db2.gz BWVSORIWYBMYLQ-JTQLQIEISA-N 1 3 197.326 1.499 10 0 ADAEHO C[C@H](CCN(C)C)NC1=[NH+]CCCC1 86455124 572942302 /nfs/dbraw/zinc/94/23/02/572942302.db2.gz BWVSORIWYBMYLQ-SNVBAGLBSA-N 1 3 197.326 1.499 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308207414 572943315 /nfs/dbraw/zinc/94/33/15/572943315.db2.gz DDCHPEPPWGKLRA-UKKRHICBSA-N 1 3 182.311 1.359 10 0 ADAEHO C[NH2+]C[C@H]1CCc2[nH]c(C)nc2C1 76089309 572943986 /nfs/dbraw/zinc/94/39/86/572943986.db2.gz QLRUHBVKRSNPNX-QMMMGPOBSA-N 1 3 179.267 1.042 10 0 ADAEHO C[NH2+]C[C@@H]1CCc2[nH]c(C)nc2C1 76089313 572944199 /nfs/dbraw/zinc/94/41/99/572944199.db2.gz QLRUHBVKRSNPNX-MRVPVSSYSA-N 1 3 179.267 1.042 10 0 ADAEHO C[NH2+]C1(CNCC(C)C)CCCC1 308207670 572945336 /nfs/dbraw/zinc/94/53/36/572945336.db2.gz UQPYIZVTRKMXBZ-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC(CC)(C[NH2+]CCCN)OC 308208585 572945610 /nfs/dbraw/zinc/94/56/10/572945610.db2.gz VGIGORNINKOCIP-UHFFFAOYSA-N 1 3 188.315 1.130 10 0 ADAEHO CCC(CC)(CNCCC[NH3+])OC 308208585 572945614 /nfs/dbraw/zinc/94/56/14/572945614.db2.gz VGIGORNINKOCIP-UHFFFAOYSA-N 1 3 188.315 1.130 10 0 ADAEHO C[C@@H](C[C@H]1CCCC[NH2+]1)NC1CC1 86498549 572946064 /nfs/dbraw/zinc/94/60/64/572946064.db2.gz BIIGADOVWMUERB-GXSJLCMTSA-N 1 3 182.311 1.659 10 0 ADAEHO CC[N@H+](CC1(N)CCC1)C1CC1 88051702 572946202 /nfs/dbraw/zinc/94/62/02/572946202.db2.gz LGXVHXKGVIJCQL-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[N@@H+](CC1(N)CCC1)C1CC1 88051702 572946204 /nfs/dbraw/zinc/94/62/04/572946204.db2.gz LGXVHXKGVIJCQL-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@H](C[C@H]1CCCC[NH2+]1)NC1CC1 86498551 572946210 /nfs/dbraw/zinc/94/62/10/572946210.db2.gz BIIGADOVWMUERB-MWLCHTKSSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H](C[C@H]1CCCCN1)[NH2+]CC1CC1 86498674 572946272 /nfs/dbraw/zinc/94/62/72/572946272.db2.gz HPMXJSUJGUKAEW-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](C[C@@H]1CCCC[NH2+]1)NC1CC1 86498547 572946748 /nfs/dbraw/zinc/94/67/48/572946748.db2.gz BIIGADOVWMUERB-KOLCDFICSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H](C[C@@H]1CCCCN1)[NH2+]CC1CC1 86498670 572946782 /nfs/dbraw/zinc/94/67/82/572946782.db2.gz HPMXJSUJGUKAEW-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](C[C@@H]1CCCCN1)[NH2+]CC1CC1 86498672 572946802 /nfs/dbraw/zinc/94/68/02/572946802.db2.gz HPMXJSUJGUKAEW-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[C@]1(C)CN1C[C@@H]2C[C@H](C1)C2[NH3+] 714615150 572947211 /nfs/dbraw/zinc/94/72/11/572947211.db2.gz UYMJUIKXUGJQCM-LAVVOLMRSA-N 1 3 194.322 1.312 10 0 ADAEHO C[C@H]1C[C@]1(C)C[N@@H+]1C[C@@H]2C[C@H](C1)C2N 714615150 572947215 /nfs/dbraw/zinc/94/72/15/572947215.db2.gz UYMJUIKXUGJQCM-LAVVOLMRSA-N 1 3 194.322 1.312 10 0 ADAEHO C[C@H]1C[C@]1(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2N 714615150 572947220 /nfs/dbraw/zinc/94/72/20/572947220.db2.gz UYMJUIKXUGJQCM-LAVVOLMRSA-N 1 3 194.322 1.312 10 0 ADAEHO CCOC[C@@H]([NH3+])CCN(CC)CC 86526889 572947667 /nfs/dbraw/zinc/94/76/67/572947667.db2.gz XGNOFQUTXJEYEG-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@@H]1C[C@]1(C)CN1C[C@@H]2C[C@H](C1)C2[NH3+] 714615155 572947707 /nfs/dbraw/zinc/94/77/07/572947707.db2.gz UYMJUIKXUGJQCM-NXQJVVEESA-N 1 3 194.322 1.312 10 0 ADAEHO C[C@@H]1C[C@]1(C)C[N@@H+]1C[C@@H]2C[C@H](C1)C2N 714615155 572947710 /nfs/dbraw/zinc/94/77/10/572947710.db2.gz UYMJUIKXUGJQCM-NXQJVVEESA-N 1 3 194.322 1.312 10 0 ADAEHO C[C@@H]1C[C@]1(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2N 714615155 572947713 /nfs/dbraw/zinc/94/77/13/572947713.db2.gz UYMJUIKXUGJQCM-NXQJVVEESA-N 1 3 194.322 1.312 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1C[C@@H](C)C[C@@H]1C 222614901 572953955 /nfs/dbraw/zinc/95/39/55/572953955.db2.gz ZNXURLRPLMPURP-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CN)C[N@H+]1C[C@@H](C)C[C@@H]1C 222614901 572953956 /nfs/dbraw/zinc/95/39/56/572953956.db2.gz ZNXURLRPLMPURP-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)(C)CCC[NH2+]CCCN 238147230 572954424 /nfs/dbraw/zinc/95/44/24/572954424.db2.gz QJIGFHDRZWLJQU-UHFFFAOYSA-N 1 3 172.316 1.751 10 0 ADAEHO C=C/C=C/CCN(C)C[C@H](C)C[NH2+]C 713650050 572955058 /nfs/dbraw/zinc/95/50/58/572955058.db2.gz BHULMDFQVWBRKI-NNNHXZLVSA-N 1 3 196.338 1.906 10 0 ADAEHO C[NH2+]CC/C=C/Cc1cnccc1N 86571222 572955102 /nfs/dbraw/zinc/95/51/02/572955102.db2.gz HJSDGWAQKVZLKG-NSCUHMNNSA-N 1 3 191.278 1.372 10 0 ADAEHO Nc1ccncc1C/C=C/CC[NH3+] 86571010 572955218 /nfs/dbraw/zinc/95/52/18/572955218.db2.gz ZTSYYVCKAWXTTG-OWOJBTEDSA-N 1 3 177.251 1.111 10 0 ADAEHO C=C/C=C\CCN(C)C[C@H](C)C[NH2+]C 713650055 572955359 /nfs/dbraw/zinc/95/53/59/572955359.db2.gz BHULMDFQVWBRKI-ZHRWSRJISA-N 1 3 196.338 1.906 10 0 ADAEHO C/C(=C\CC[NH3+])Cc1cnccc1N 86570824 572955323 /nfs/dbraw/zinc/95/53/23/572955323.db2.gz NIOFRSYEBZSGNY-YCRREMRBSA-N 1 3 191.278 1.501 10 0 ADAEHO C=C/C=C/CCN(C)C[C@@H](C)C[NH2+]C 713650053 572955417 /nfs/dbraw/zinc/95/54/17/572955417.db2.gz BHULMDFQVWBRKI-SYTKJHMZSA-N 1 3 196.338 1.906 10 0 ADAEHO C=C/C=C\CCN(C)C[C@@H](C)C[NH2+]C 713650046 572955485 /nfs/dbraw/zinc/95/54/85/572955485.db2.gz BHULMDFQVWBRKI-DGMVEKRQSA-N 1 3 196.338 1.906 10 0 ADAEHO C[NH2+]CC/C=C/c1cnccc1N 86571145 572955805 /nfs/dbraw/zinc/95/58/05/572955805.db2.gz WZNSLWXEHMGMCS-DUXPYHPUSA-N 1 3 177.251 1.287 10 0 ADAEHO CC[C@](C)(C[NH3+])CN1CCCCC1 51211076 572956494 /nfs/dbraw/zinc/95/64/94/572956494.db2.gz TWRMBEWVRUISJQ-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO C[NH2+]CC/C=C(/C)c1cnccc1N 86572355 572957297 /nfs/dbraw/zinc/95/72/97/572957297.db2.gz QZZJRGADJDVOJP-WTKPLQERSA-N 1 3 191.278 1.677 10 0 ADAEHO CC[C@@](C)(C[NH2+]C)CN(C)CC1CC1 51249783 572957379 /nfs/dbraw/zinc/95/73/79/572957379.db2.gz NDSSERHJASALTL-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@](C)(CNC)C[N@H+](C)CC1CC1 51249783 572957381 /nfs/dbraw/zinc/95/73/81/572957381.db2.gz NDSSERHJASALTL-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@](C)(CNC)C[N@@H+](C)CC1CC1 51249783 572957383 /nfs/dbraw/zinc/95/73/83/572957383.db2.gz NDSSERHJASALTL-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]CC/C=C/c1cnccc1N 86571358 572957582 /nfs/dbraw/zinc/95/75/82/572957582.db2.gz UYCFEDQIDFLUMI-HWKANZROSA-N 1 3 191.278 1.677 10 0 ADAEHO CC(C)CNC(=N)C(=[NH2+])NCC(C)C 238155185 572957920 /nfs/dbraw/zinc/95/79/20/572957920.db2.gz KEVIVGZNHSHBPP-UHFFFAOYSA-N 1 3 198.314 1.432 10 0 ADAEHO CC[NH+](CC)[C@H]1CCC[C@@H](NC)C1 86598890 572961838 /nfs/dbraw/zinc/96/18/38/572961838.db2.gz PBSPLMQQBDAQNS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CC)[C@H]1CCC[C@@H]([NH2+]C)C1 86598890 572961841 /nfs/dbraw/zinc/96/18/41/572961841.db2.gz PBSPLMQQBDAQNS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@H](N(C)CC)C1 86599146 572962084 /nfs/dbraw/zinc/96/20/84/572962084.db2.gz OFQYPMYZSDFBGT-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[NH2+][C@H]1CCC[C@H](N(C)C)C1 86599076 572962364 /nfs/dbraw/zinc/96/23/64/572962364.db2.gz BLRXTXDEICYWHZ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCC[C@H](NC)C1 86599295 572962384 /nfs/dbraw/zinc/96/23/84/572962384.db2.gz BNQLGDZDFGIUBE-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCC[C@H](NC)C1 86599295 572962387 /nfs/dbraw/zinc/96/23/87/572962387.db2.gz BNQLGDZDFGIUBE-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@H]1CCC[C@H]([NH2+]C)C1 86599295 572962390 /nfs/dbraw/zinc/96/23/90/572962390.db2.gz BNQLGDZDFGIUBE-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@@H](N(C)CC)C1 86599151 572962547 /nfs/dbraw/zinc/96/25/47/572962547.db2.gz OFQYPMYZSDFBGT-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@H+](C)CC2CC2)C1 86599538 572962578 /nfs/dbraw/zinc/96/25/78/572962578.db2.gz RVMFAZXLFUFBDO-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC2)C1 86599538 572962580 /nfs/dbraw/zinc/96/25/80/572962580.db2.gz RVMFAZXLFUFBDO-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H](N(C)CC2CC2)C1 86599538 572962581 /nfs/dbraw/zinc/96/25/81/572962581.db2.gz RVMFAZXLFUFBDO-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@H](N(C)CC)C1 86599144 572962610 /nfs/dbraw/zinc/96/26/10/572962610.db2.gz OFQYPMYZSDFBGT-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)CCC[NH2+]CCCN 88077669 572962687 /nfs/dbraw/zinc/96/26/87/572962687.db2.gz MDKWXNZTOLRIIA-UHFFFAOYSA-N 1 3 158.289 1.361 10 0 ADAEHO CCC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 86599077 572962705 /nfs/dbraw/zinc/96/27/05/572962705.db2.gz BLRXTXDEICYWHZ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCC[C@@H](NC)C1 86598888 572962759 /nfs/dbraw/zinc/96/27/59/572962759.db2.gz PBSPLMQQBDAQNS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CC)[C@@H]1CCC[C@@H]([NH2+]C)C1 86598888 572962761 /nfs/dbraw/zinc/96/27/61/572962761.db2.gz PBSPLMQQBDAQNS-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCC[C@H](NC)C1 86599293 572962814 /nfs/dbraw/zinc/96/28/14/572962814.db2.gz BNQLGDZDFGIUBE-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCC[C@H](NC)C1 86599293 572962816 /nfs/dbraw/zinc/96/28/16/572962816.db2.gz BNQLGDZDFGIUBE-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599293 572962819 /nfs/dbraw/zinc/96/28/19/572962819.db2.gz BNQLGDZDFGIUBE-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@@H](N(C)CC)C1 86599149 572962830 /nfs/dbraw/zinc/96/28/30/572962830.db2.gz OFQYPMYZSDFBGT-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 86599074 572962980 /nfs/dbraw/zinc/96/29/80/572962980.db2.gz BLRXTXDEICYWHZ-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH+](CC)[C@H]1CCC[C@H](NC)C1 86598885 572962992 /nfs/dbraw/zinc/96/29/92/572962992.db2.gz PBSPLMQQBDAQNS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CC)[C@H]1CCC[C@H]([NH2+]C)C1 86598885 572962994 /nfs/dbraw/zinc/96/29/94/572962994.db2.gz PBSPLMQQBDAQNS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCC[C@H](NC)C1 86598883 572963003 /nfs/dbraw/zinc/96/30/03/572963003.db2.gz PBSPLMQQBDAQNS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CC)[C@@H]1CCC[C@H]([NH2+]C)C1 86598883 572963004 /nfs/dbraw/zinc/96/30/04/572963004.db2.gz PBSPLMQQBDAQNS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H]1CC[C@H]([N@H+](C)CC2CC2)C1 86618998 572965647 /nfs/dbraw/zinc/96/56/47/572965647.db2.gz TYXAATQQEVYXST-QWRGUYRKSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[C@H]([N@@H+](C)CC2CC2)C1 86618998 572965648 /nfs/dbraw/zinc/96/56/48/572965648.db2.gz TYXAATQQEVYXST-QWRGUYRKSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N(C)CC2CC2)C1 86618998 572965649 /nfs/dbraw/zinc/96/56/49/572965649.db2.gz TYXAATQQEVYXST-QWRGUYRKSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CCC[C@@H]([N@H+](C)CC2CC2)C1 86599540 572963197 /nfs/dbraw/zinc/96/31/97/572963197.db2.gz RVMFAZXLFUFBDO-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CCC[C@@H]([N@@H+](C)CC2CC2)C1 86599540 572963198 /nfs/dbraw/zinc/96/31/98/572963198.db2.gz RVMFAZXLFUFBDO-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H](N(C)CC2CC2)C1 86599540 572963201 /nfs/dbraw/zinc/96/32/01/572963201.db2.gz RVMFAZXLFUFBDO-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 86599080 572963477 /nfs/dbraw/zinc/96/34/77/572963477.db2.gz BLRXTXDEICYWHZ-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H]1CCC[C@H]([N@H+](C)CC2CC2)C1 86599535 572963596 /nfs/dbraw/zinc/96/35/96/572963596.db2.gz RVMFAZXLFUFBDO-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CCC[C@H]([N@@H+](C)CC2CC2)C1 86599535 572963599 /nfs/dbraw/zinc/96/35/99/572963599.db2.gz RVMFAZXLFUFBDO-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H](N(C)CC2CC2)C1 86599535 572963602 /nfs/dbraw/zinc/96/36/02/572963602.db2.gz RVMFAZXLFUFBDO-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@H](NC)C1 86618325 572965664 /nfs/dbraw/zinc/96/56/64/572965664.db2.gz CJTFICKTDXLFGR-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@H]([NH2+]C)C1 86618325 572965665 /nfs/dbraw/zinc/96/56/65/572965665.db2.gz CJTFICKTDXLFGR-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)(C)CC[NH2+]CCCN 51356245 572964712 /nfs/dbraw/zinc/96/47/12/572964712.db2.gz OWTQRVJVQRUVRF-UHFFFAOYSA-N 1 3 158.289 1.361 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N(C)C2CC2)C1 86618704 572965702 /nfs/dbraw/zinc/96/57/02/572965702.db2.gz BAYSLGPFKQHYPZ-GXSJLCMTSA-N 1 3 182.311 1.611 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CC[C@H](NC)C1 86618707 572965374 /nfs/dbraw/zinc/96/53/74/572965374.db2.gz ILNRXAYZPKKUPB-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](NC)C1 86618707 572965377 /nfs/dbraw/zinc/96/53/77/572965377.db2.gz ILNRXAYZPKKUPB-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N(C)CC)C1 86618672 572965456 /nfs/dbraw/zinc/96/54/56/572965456.db2.gz GZCNYWZIEQVORW-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N(C)CC)C1 86618671 572965473 /nfs/dbraw/zinc/96/54/73/572965473.db2.gz GZCNYWZIEQVORW-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N(CC)CC)C1 86618339 572965601 /nfs/dbraw/zinc/96/56/01/572965601.db2.gz FHPNRKVSBDJHTF-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([NH+](CC)CC)C1 86618339 572965604 /nfs/dbraw/zinc/96/56/04/572965604.db2.gz FHPNRKVSBDJHTF-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N(C)C(C)C)C1 86618438 572965742 /nfs/dbraw/zinc/96/57/42/572965742.db2.gz NKPOJKCBJQKRDQ-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@H+](C)C(C)C)C1 86618438 572965744 /nfs/dbraw/zinc/96/57/44/572965744.db2.gz NKPOJKCBJQKRDQ-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@@H+](C)CC2CC2)C1 86619000 572965866 /nfs/dbraw/zinc/96/58/66/572965866.db2.gz TYXAATQQEVYXST-WDEREUQCSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@@H+](C)C(C)C)C1 86618438 572965746 /nfs/dbraw/zinc/96/57/46/572965746.db2.gz NKPOJKCBJQKRDQ-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N(C)CC2CC2)C1 86619000 572965868 /nfs/dbraw/zinc/96/58/68/572965868.db2.gz TYXAATQQEVYXST-WDEREUQCSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN[C@H]1CC[C@H]([N@H+](C)CC2CC2)C1 86619006 572965831 /nfs/dbraw/zinc/96/58/31/572965831.db2.gz NUTVUXQVCFGRAG-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@H]1CC[C@H]([N@@H+](C)CC2CC2)C1 86619006 572965832 /nfs/dbraw/zinc/96/58/32/572965832.db2.gz NUTVUXQVCFGRAG-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@H+](C)CC2CC2)C1 86619000 572965864 /nfs/dbraw/zinc/96/58/64/572965864.db2.gz TYXAATQQEVYXST-WDEREUQCSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N(C)CC2CC2)C1 86619006 572965835 /nfs/dbraw/zinc/96/58/35/572965835.db2.gz NUTVUXQVCFGRAG-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N(C)CC2CC2)C1 86619008 572965923 /nfs/dbraw/zinc/96/59/23/572965923.db2.gz NUTVUXQVCFGRAG-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@H]1CC[C@@H]([N@H+](C)CC2CC2)C1 86619008 572965917 /nfs/dbraw/zinc/96/59/17/572965917.db2.gz NUTVUXQVCFGRAG-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@H]1CC[C@@H]([N@@H+](C)CC2CC2)C1 86619008 572965920 /nfs/dbraw/zinc/96/59/20/572965920.db2.gz NUTVUXQVCFGRAG-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+][C@H]1CC[C@@H](N(C)C)C1 86618521 572965929 /nfs/dbraw/zinc/96/59/29/572965929.db2.gz YZHCRACPAUQSTQ-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN(C)[C@H]1CC[C@H]([NH2+]CC)C1 86618764 572965979 /nfs/dbraw/zinc/96/59/79/572965979.db2.gz GGAKJTRCUDKIQM-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@H](NCC)C1 86618764 572965981 /nfs/dbraw/zinc/96/59/81/572965981.db2.gz GGAKJTRCUDKIQM-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@H](NCC)C1 86618764 572965983 /nfs/dbraw/zinc/96/59/83/572965983.db2.gz GGAKJTRCUDKIQM-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@H](NC)C1 86618326 572965990 /nfs/dbraw/zinc/96/59/90/572965990.db2.gz CJTFICKTDXLFGR-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(CC)[C@H]1CC[C@H]([NH2+]C)C1 86618326 572965992 /nfs/dbraw/zinc/96/59/92/572965992.db2.gz CJTFICKTDXLFGR-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CC[C@H](NC)C1 86618708 572966000 /nfs/dbraw/zinc/96/60/00/572966000.db2.gz ILNRXAYZPKKUPB-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CC[C@H](NC)C1 86618708 572966003 /nfs/dbraw/zinc/96/60/03/572966003.db2.gz ILNRXAYZPKKUPB-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N(CC)CC)C1 86618338 572966023 /nfs/dbraw/zinc/96/60/23/572966023.db2.gz FHPNRKVSBDJHTF-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@H]1CC[C@H]([NH+](CC)CC)C1 86618338 572966024 /nfs/dbraw/zinc/96/60/24/572966024.db2.gz FHPNRKVSBDJHTF-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@@H](NC)C1 86618327 572966125 /nfs/dbraw/zinc/96/61/25/572966125.db2.gz CJTFICKTDXLFGR-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@@H]([NH2+]C)C1 86618327 572966127 /nfs/dbraw/zinc/96/61/27/572966127.db2.gz CJTFICKTDXLFGR-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@H]([NH2+]CC)C1 86618763 572966189 /nfs/dbraw/zinc/96/61/89/572966189.db2.gz GGAKJTRCUDKIQM-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@H](NCC)C1 86618763 572966191 /nfs/dbraw/zinc/96/61/91/572966191.db2.gz GGAKJTRCUDKIQM-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@H](NCC)C1 86618763 572966193 /nfs/dbraw/zinc/96/61/93/572966193.db2.gz GGAKJTRCUDKIQM-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H]1CC[C@H]([N@H+](C)CC2CCC2)C1 86619288 572966224 /nfs/dbraw/zinc/96/62/24/572966224.db2.gz FRJPTBFMKOGUNT-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[C@H]([N@@H+](C)CC2CCC2)C1 86619288 572966226 /nfs/dbraw/zinc/96/62/26/572966226.db2.gz FRJPTBFMKOGUNT-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+][C@H]1CC[C@H](N(C)C)C1 86618519 572966255 /nfs/dbraw/zinc/96/62/55/572966255.db2.gz YZHCRACPAUQSTQ-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N(C)C(C)C)C1 86618441 572966311 /nfs/dbraw/zinc/96/63/11/572966311.db2.gz NKPOJKCBJQKRDQ-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@H]1CC[C@@H]([N@H+](C)C(C)C)C1 86618441 572966314 /nfs/dbraw/zinc/96/63/14/572966314.db2.gz NKPOJKCBJQKRDQ-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 86618441 572966316 /nfs/dbraw/zinc/96/63/16/572966316.db2.gz NKPOJKCBJQKRDQ-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[NH2+][C@@H]1CC[C@H](N(C)CC)C1 86618667 572966334 /nfs/dbraw/zinc/96/63/34/572966334.db2.gz ZSSXHRTYYCBRPZ-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+](C)CC2CC2)C1 86618997 572966356 /nfs/dbraw/zinc/96/63/56/572966356.db2.gz TYXAATQQEVYXST-MNOVXSKESA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+](C)CC2CC2)C1 86618997 572966359 /nfs/dbraw/zinc/96/63/59/572966359.db2.gz TYXAATQQEVYXST-MNOVXSKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](N(C)CC2CC2)C1 86618997 572966362 /nfs/dbraw/zinc/96/63/62/572966362.db2.gz TYXAATQQEVYXST-MNOVXSKESA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@H+](C)CC2CCC2)C1 86619290 572966517 /nfs/dbraw/zinc/96/65/17/572966517.db2.gz FRJPTBFMKOGUNT-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@@H+](C)CC2CCC2)C1 86619290 572966520 /nfs/dbraw/zinc/96/65/20/572966520.db2.gz FRJPTBFMKOGUNT-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+][C@@H]1CC[C@@H](N(C)C)C1 86618520 572966550 /nfs/dbraw/zinc/96/65/50/572966550.db2.gz YZHCRACPAUQSTQ-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CC[C@H](NC)C1 86618544 572966883 /nfs/dbraw/zinc/96/68/83/572966883.db2.gz RLNHARGNGRAFIL-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CC[C@H](NC)C1 86618544 572966885 /nfs/dbraw/zinc/96/68/85/572966885.db2.gz RLNHARGNGRAFIL-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCCN(C)[C@H]1CC[C@H]([NH2+]C)C1 86618544 572966886 /nfs/dbraw/zinc/96/68/86/572966886.db2.gz RLNHARGNGRAFIL-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@H+](C)CC(C)C)C1 86618765 572966898 /nfs/dbraw/zinc/96/68/98/572966898.db2.gz AGZWXZRNHNINJU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@@H+](C)CC(C)C)C1 86618765 572966901 /nfs/dbraw/zinc/96/69/01/572966901.db2.gz AGZWXZRNHNINJU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N(CC)CC)C1 86618340 572966958 /nfs/dbraw/zinc/96/69/58/572966958.db2.gz FHPNRKVSBDJHTF-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@H]1CC[C@@H]([NH+](CC)CC)C1 86618340 572966959 /nfs/dbraw/zinc/96/69/59/572966959.db2.gz FHPNRKVSBDJHTF-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N(CC)CC)C1 86618337 572966967 /nfs/dbraw/zinc/96/69/67/572966967.db2.gz FHPNRKVSBDJHTF-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@H]([NH+](CC)CC)C1 86618337 572966969 /nfs/dbraw/zinc/96/69/69/572966969.db2.gz FHPNRKVSBDJHTF-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618543 572966996 /nfs/dbraw/zinc/96/69/96/572966996.db2.gz RLNHARGNGRAFIL-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618543 572966999 /nfs/dbraw/zinc/96/69/99/572966999.db2.gz RLNHARGNGRAFIL-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCCN(C)[C@@H]1CC[C@H]([NH2+]C)C1 86618543 572967003 /nfs/dbraw/zinc/96/70/03/572967003.db2.gz RLNHARGNGRAFIL-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@@H](NC)C1 86618328 572967078 /nfs/dbraw/zinc/96/70/78/572967078.db2.gz CJTFICKTDXLFGR-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(CC)[C@H]1CC[C@@H]([NH2+]C)C1 86618328 572967081 /nfs/dbraw/zinc/96/70/81/572967081.db2.gz CJTFICKTDXLFGR-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N(C)CC)C1 86618674 572967102 /nfs/dbraw/zinc/96/71/02/572967102.db2.gz GZCNYWZIEQVORW-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N(C)CC)C1 86618673 572967124 /nfs/dbraw/zinc/96/71/24/572967124.db2.gz GZCNYWZIEQVORW-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[NH2+][C@@H]1CC[C@H](N(C)C)C1 86618518 572967204 /nfs/dbraw/zinc/96/72/04/572967204.db2.gz YZHCRACPAUQSTQ-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CC[C@H](NC)C1 86618734 572967255 /nfs/dbraw/zinc/96/72/55/572967255.db2.gz SWRAONHKLMHYNS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CC[C@H](NC)C1 86618734 572967256 /nfs/dbraw/zinc/96/72/56/572967256.db2.gz SWRAONHKLMHYNS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N(C)C2CC2)C1 86618701 572967280 /nfs/dbraw/zinc/96/72/80/572967280.db2.gz BAYSLGPFKQHYPZ-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO CCC[NH2+][C@H]1CC[C@@H](N(C)CC)C1 86618670 572967294 /nfs/dbraw/zinc/96/72/94/572967294.db2.gz ZSSXHRTYYCBRPZ-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N(C)C(C)C)C1 86618439 572967313 /nfs/dbraw/zinc/96/73/13/572967313.db2.gz NKPOJKCBJQKRDQ-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@H]1CC[C@H]([N@H+](C)C(C)C)C1 86618439 572967315 /nfs/dbraw/zinc/96/73/15/572967315.db2.gz NKPOJKCBJQKRDQ-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@H]1CC[C@H]([N@@H+](C)C(C)C)C1 86618439 572967317 /nfs/dbraw/zinc/96/73/17/572967317.db2.gz NKPOJKCBJQKRDQ-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@H+](C)CC2CC2)C1 86619005 572967325 /nfs/dbraw/zinc/96/73/25/572967325.db2.gz NUTVUXQVCFGRAG-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@@H+](C)CC2CC2)C1 86619005 572967326 /nfs/dbraw/zinc/96/73/26/572967326.db2.gz NUTVUXQVCFGRAG-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N(C)CC2CC2)C1 86619005 572967327 /nfs/dbraw/zinc/96/73/27/572967327.db2.gz NUTVUXQVCFGRAG-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+](C)CC2CC2)C1 86618999 572967336 /nfs/dbraw/zinc/96/73/36/572967336.db2.gz TYXAATQQEVYXST-GHMZBOCLSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+](C)CC2CC2)C1 86618999 572967337 /nfs/dbraw/zinc/96/73/37/572967337.db2.gz TYXAATQQEVYXST-GHMZBOCLSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](N(C)CC2CC2)C1 86618999 572967338 /nfs/dbraw/zinc/96/73/38/572967338.db2.gz TYXAATQQEVYXST-GHMZBOCLSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618757 572967341 /nfs/dbraw/zinc/96/73/41/572967341.db2.gz AEEDTCGNVFWVEE-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618757 572967342 /nfs/dbraw/zinc/96/73/42/572967342.db2.gz AEEDTCGNVFWVEE-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@H]([NH2+]C)C1 86618757 572967343 /nfs/dbraw/zinc/96/73/43/572967343.db2.gz AEEDTCGNVFWVEE-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CC[C@H](NC)C1 86619569 572967357 /nfs/dbraw/zinc/96/73/57/572967357.db2.gz MQQXGLZIQUSQTG-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CC[C@H](NC)C1 86619569 572967358 /nfs/dbraw/zinc/96/73/58/572967358.db2.gz MQQXGLZIQUSQTG-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C1CC1)[C@H]1CC[C@H]([NH2+]C)C1 86618678 572967400 /nfs/dbraw/zinc/96/74/00/572967400.db2.gz CNMQHOKLVKMPQQ-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+](C)CC2CCC2)C1 86619289 572967441 /nfs/dbraw/zinc/96/74/41/572967441.db2.gz FRJPTBFMKOGUNT-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+](C)CC2CCC2)C1 86619289 572967442 /nfs/dbraw/zinc/96/74/42/572967442.db2.gz FRJPTBFMKOGUNT-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@H+](C)CC2CC2)C1 86619007 572967470 /nfs/dbraw/zinc/96/74/70/572967470.db2.gz NUTVUXQVCFGRAG-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@@H+](C)CC2CC2)C1 86619007 572967471 /nfs/dbraw/zinc/96/74/71/572967471.db2.gz NUTVUXQVCFGRAG-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N(C)CC2CC2)C1 86619007 572967473 /nfs/dbraw/zinc/96/74/73/572967473.db2.gz NUTVUXQVCFGRAG-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N(C)C(C)C)C1 86618440 572967500 /nfs/dbraw/zinc/96/75/00/572967500.db2.gz NKPOJKCBJQKRDQ-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@H+](C)C(C)C)C1 86618440 572967506 /nfs/dbraw/zinc/96/75/06/572967506.db2.gz NKPOJKCBJQKRDQ-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 86618440 572967509 /nfs/dbraw/zinc/96/75/09/572967509.db2.gz NKPOJKCBJQKRDQ-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N(C)C2CC2)C1 86618702 572967576 /nfs/dbraw/zinc/96/75/76/572967576.db2.gz BAYSLGPFKQHYPZ-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@H](NC)C1 86618758 572967644 /nfs/dbraw/zinc/96/76/44/572967644.db2.gz AEEDTCGNVFWVEE-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@H](NC)C1 86618758 572967647 /nfs/dbraw/zinc/96/76/47/572967647.db2.gz AEEDTCGNVFWVEE-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN(C)[C@H]1CC[C@H]([NH2+]C)C1 86618758 572967649 /nfs/dbraw/zinc/96/76/49/572967649.db2.gz AEEDTCGNVFWVEE-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO Cc1ccc(CNCCCC[NH3+])nc1 88135196 572968352 /nfs/dbraw/zinc/96/83/52/572968352.db2.gz WMTVAYYTJKSJIF-UHFFFAOYSA-N 1 3 193.294 1.219 10 0 ADAEHO CN(CC(C)(C)C[NH3+])C1CCC1 86637474 572969022 /nfs/dbraw/zinc/96/90/22/572969022.db2.gz DXAXLLCFXADMCW-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC1CN(C[C@@H](C)C[NH3+])C1 86682178 572972627 /nfs/dbraw/zinc/97/26/27/572972627.db2.gz SWTZCQOQPSMDCZ-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H]([NH3+])CCN1CC(C(C)(C)C)C1 86678225 572970567 /nfs/dbraw/zinc/97/05/67/572970567.db2.gz CXLNTDRCBLVVFS-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC(CC)(C[NH3+])N1CC(C)C1 86679132 572970578 /nfs/dbraw/zinc/97/05/78/572970578.db2.gz KTOFTISYGJAZIK-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)C1CN(CC[C@@H](C)[NH3+])C1 86678216 572970605 /nfs/dbraw/zinc/97/06/05/572970605.db2.gz GCVBUSDLVLZQLW-SECBINFHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H](N)C[NH+]1CC(C(C)(C)C)C1 86679336 572970657 /nfs/dbraw/zinc/97/06/57/572970657.db2.gz KDJDKUNVXDEXNH-LLVKDONJSA-N 1 3 198.354 1.948 10 0 ADAEHO CC[C@@H](N)C[NH+]1CC(C(C)(C)C)C1 86678979 572970976 /nfs/dbraw/zinc/97/09/76/572970976.db2.gz HANKYEYNCJQYGO-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC1(CC)CN(CC[C@@H](C)[NH3+])C1 86678201 572971004 /nfs/dbraw/zinc/97/10/04/572971004.db2.gz WVTLBJKDRXZBBZ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)C1C[NH+](C[C@H](N)C(C)C)C1 86679329 572971047 /nfs/dbraw/zinc/97/10/47/572971047.db2.gz JALADCVRADLPHO-NSHDSACASA-N 1 3 184.327 1.558 10 0 ADAEHO CCC(CC)(C[NH3+])N1CC[C@@H]1C 86679139 572971058 /nfs/dbraw/zinc/97/10/58/572971058.db2.gz YZZALWBXKMQPCJ-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)C1C[NH+](C[C@@H](N)C(C)C)C1 86679331 572971112 /nfs/dbraw/zinc/97/11/12/572971112.db2.gz JALADCVRADLPHO-LLVKDONJSA-N 1 3 184.327 1.558 10 0 ADAEHO CCCC1CN(CC[C@@H](C)[NH3+])C1 86678190 572971143 /nfs/dbraw/zinc/97/11/43/572971143.db2.gz DNUAKYYGFABBSK-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CC2(CCCC2)C1 86682193 572973644 /nfs/dbraw/zinc/97/36/44/572973644.db2.gz DLMKNOYKVSTYMG-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)[C@@H](N)C[NH+]1CC(C(C)(C)C)C1 86679337 572971489 /nfs/dbraw/zinc/97/14/89/572971489.db2.gz KDJDKUNVXDEXNH-NSHDSACASA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)C1CN(CC[C@H](C)[NH3+])C1 86678218 572971561 /nfs/dbraw/zinc/97/15/61/572971561.db2.gz GCVBUSDLVLZQLW-VIFPVBQESA-N 1 3 170.300 1.312 10 0 ADAEHO CCC(CC)(C[NH3+])N1CC[C@H]1C 86679140 572971595 /nfs/dbraw/zinc/97/15/95/572971595.db2.gz YZZALWBXKMQPCJ-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])CCN1CC(C(C)(C)C)C1 86678223 572971717 /nfs/dbraw/zinc/97/17/17/572971717.db2.gz CXLNTDRCBLVVFS-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO CCCC1CN(CC[C@H](C)[NH3+])C1 86678191 572971895 /nfs/dbraw/zinc/97/18/95/572971895.db2.gz DNUAKYYGFABBSK-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](N)C[NH+]1CC(C(C)(C)C)C1 86678977 572972002 /nfs/dbraw/zinc/97/20/02/572972002.db2.gz HANKYEYNCJQYGO-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](N)C[NH+]1CC(C(C)C)C1 86678971 572972036 /nfs/dbraw/zinc/97/20/36/572972036.db2.gz MSPNVDNJVGHCKL-SNVBAGLBSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC1(CC)CN(CC[C@H](C)[NH3+])C1 86678203 572972071 /nfs/dbraw/zinc/97/20/71/572972071.db2.gz WVTLBJKDRXZBBZ-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC1CN(C(CC)(CC)C[NH3+])C1 86679129 572972118 /nfs/dbraw/zinc/97/21/18/572972118.db2.gz UHNIZASFXUQBFQ-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](C[NH3+])CN1CC(C(C)(C)C)C1 86682160 572972297 /nfs/dbraw/zinc/97/22/97/572972297.db2.gz FXWVOATYMXENNV-VIFPVBQESA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@@H](CN)C[NH+]1CC(C(C)(C)C)C1 86682160 572972299 /nfs/dbraw/zinc/97/22/99/572972299.db2.gz FXWVOATYMXENNV-VIFPVBQESA-N 1 3 184.327 1.559 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCC[C@@H]2CN)C1 86679817 572972339 /nfs/dbraw/zinc/97/23/39/572972339.db2.gz RQESAVSEQQDPDP-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC1CN([C@@H]2CCC[C@@H]2C[NH3+])C1 86679817 572972340 /nfs/dbraw/zinc/97/23/40/572972340.db2.gz RQESAVSEQQDPDP-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H](CC)CCN 86682263 572972349 /nfs/dbraw/zinc/97/23/49/572972349.db2.gz OBDGCSAXKJNUNC-IUCAKERBSA-N 1 3 158.289 1.502 10 0 ADAEHO CC[C@H](CC[NH3+])N1CC(C)(C)C1 86682192 572972359 /nfs/dbraw/zinc/97/23/59/572972359.db2.gz XDIJMMWISSYABL-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C)[NH2+][C@H](CC)CCN 86682270 572972366 /nfs/dbraw/zinc/97/23/66/572972366.db2.gz OBDGCSAXKJNUNC-DTWKUNHWSA-N 1 3 158.289 1.502 10 0 ADAEHO CCCC1CN([C@H](C)CC[NH3+])C1 86681965 572972386 /nfs/dbraw/zinc/97/23/86/572972386.db2.gz TZTIGFIFPRGIRE-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C)[NH2+][C@H](CC)CCN 86682266 572972496 /nfs/dbraw/zinc/97/24/96/572972496.db2.gz OBDGCSAXKJNUNC-RKDXNWHRSA-N 1 3 158.289 1.502 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCC[C@H]2CN)C1 86679823 572972639 /nfs/dbraw/zinc/97/26/39/572972639.db2.gz RQESAVSEQQDPDP-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC1CN([C@H]2CCC[C@H]2C[NH3+])C1 86679823 572972641 /nfs/dbraw/zinc/97/26/41/572972641.db2.gz RQESAVSEQQDPDP-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCC[C@H]2CN)C1 86679821 572972722 /nfs/dbraw/zinc/97/27/22/572972722.db2.gz RQESAVSEQQDPDP-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC1CN([C@@H]2CCC[C@H]2C[NH3+])C1 86679821 572972724 /nfs/dbraw/zinc/97/27/24/572972724.db2.gz RQESAVSEQQDPDP-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1(CC)CN(C[C@H](C)C[NH3+])C1 86682119 572972786 /nfs/dbraw/zinc/97/27/86/572972786.db2.gz NHKYPQWAHJWXCD-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)[C@@H](C[NH3+])N1CC(C(C)(C)C)C1 86679784 572972829 /nfs/dbraw/zinc/97/28/29/572972829.db2.gz HGVZTFAZHFAFEY-LLVKDONJSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)SCCC[NH2+]CCCN 238184522 572972830 /nfs/dbraw/zinc/97/28/30/572972830.db2.gz BUNXCPYFPLUOKK-UHFFFAOYSA-N 1 3 190.356 1.457 10 0 ADAEHO CCC[C@H](CN)[NH+]1CC2(CCC2)C1 86679717 572972859 /nfs/dbraw/zinc/97/28/59/572972859.db2.gz OGIOPXFZEVCXCJ-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)C1CN([C@@H](C)CC[NH3+])C1 86681947 572972876 /nfs/dbraw/zinc/97/28/76/572972876.db2.gz PCANQAFIZXHIHH-VIFPVBQESA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C1C[NH+]([C@@H](C)CCN)C1 86681947 572972878 /nfs/dbraw/zinc/97/28/78/572972878.db2.gz PCANQAFIZXHIHH-VIFPVBQESA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@@H](CN)[NH+]1CC(C)(C)C1 86679738 572972895 /nfs/dbraw/zinc/97/28/95/572972895.db2.gz JKEFHFKDEDTVPW-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@H](C[NH3+])N1CC(C(C)(C)C)C1 86679785 572972910 /nfs/dbraw/zinc/97/29/10/572972910.db2.gz HGVZTFAZHFAFEY-NSHDSACASA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)C1CN([C@H](C)CC[NH3+])C1 86681949 572973052 /nfs/dbraw/zinc/97/30/52/572973052.db2.gz PCANQAFIZXHIHH-SECBINFHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C1C[NH+]([C@H](C)CCN)C1 86681949 572973053 /nfs/dbraw/zinc/97/30/53/572973053.db2.gz PCANQAFIZXHIHH-SECBINFHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H](CC[NH3+])N1CC(C(C)(C)C)C1 86681953 572973158 /nfs/dbraw/zinc/97/31/58/572973158.db2.gz TXRZJDXMMSAFDM-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CCN)[NH+]1CC(C(C)(C)C)C1 86681953 572973160 /nfs/dbraw/zinc/97/31/60/572973160.db2.gz TXRZJDXMMSAFDM-SECBINFHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](C[NH3+])CN1CC(C(C)(C)C)C1 86682165 572973185 /nfs/dbraw/zinc/97/31/85/572973185.db2.gz FXWVOATYMXENNV-SECBINFHSA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@H](CN)C[NH+]1CC(C(C)(C)C)C1 86682165 572973188 /nfs/dbraw/zinc/97/31/88/572973188.db2.gz FXWVOATYMXENNV-SECBINFHSA-N 1 3 184.327 1.559 10 0 ADAEHO CCC[C@@H](CN)[NH+]1CC2(CCC2)C1 86679715 572973227 /nfs/dbraw/zinc/97/32/27/572973227.db2.gz OGIOPXFZEVCXCJ-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CCCC1CN([C@H](CC)CC[NH3+])C1 86682289 572973261 /nfs/dbraw/zinc/97/32/61/572973261.db2.gz IBKPQIMGQXOPEF-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC1C[NH+]([C@H](CC)CCN)C1 86682289 572973264 /nfs/dbraw/zinc/97/32/64/572973264.db2.gz IBKPQIMGQXOPEF-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CC2(CC2)C1 86682277 572973273 /nfs/dbraw/zinc/97/32/73/572973273.db2.gz QBBYCHOYAXSQMP-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@H](CC[NH3+])N1CC2(CC2)C1 86682278 572973336 /nfs/dbraw/zinc/97/33/36/572973336.db2.gz QBBYCHOYAXSQMP-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CCC1C[NH+]([C@H](CC)CCN)C1 86682217 572973356 /nfs/dbraw/zinc/97/33/56/572973356.db2.gz IWDRYHJLMQEELZ-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC1CN([C@H](CC)CC[NH3+])C1 86682217 572973358 /nfs/dbraw/zinc/97/33/58/572973358.db2.gz IWDRYHJLMQEELZ-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CC[NH3+])N1CC2(CCC2)C1 86682282 572973413 /nfs/dbraw/zinc/97/34/13/572973413.db2.gz MCBRHAFJLMTXQU-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CCCC1CN([C@@H](C)CC[NH3+])C1 86681963 572973435 /nfs/dbraw/zinc/97/34/35/572973435.db2.gz TZTIGFIFPRGIRE-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC1C[NH+]([C@@H](CC)CCN)C1 86682215 572973456 /nfs/dbraw/zinc/97/34/56/572973456.db2.gz IWDRYHJLMQEELZ-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CCC1CN([C@@H](CC)CC[NH3+])C1 86682215 572973458 /nfs/dbraw/zinc/97/34/58/572973458.db2.gz IWDRYHJLMQEELZ-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CC(C)(C)C1 86682190 572973500 /nfs/dbraw/zinc/97/35/00/572973500.db2.gz XDIJMMWISSYABL-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](CC[NH3+])N1CC2(CCCC2)C1 86682195 572973519 /nfs/dbraw/zinc/97/35/19/572973519.db2.gz DLMKNOYKVSTYMG-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CCCC1CN([C@@H](CC)CC[NH3+])C1 86682285 572973531 /nfs/dbraw/zinc/97/35/31/572973531.db2.gz IBKPQIMGQXOPEF-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC1C[NH+]([C@@H](CC)CCN)C1 86682285 572973533 /nfs/dbraw/zinc/97/35/33/572973533.db2.gz IBKPQIMGQXOPEF-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CC2(CCC2)C1 86682281 572973598 /nfs/dbraw/zinc/97/35/98/572973598.db2.gz MCBRHAFJLMTXQU-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CC(C(C)C)C1 86682250 572973659 /nfs/dbraw/zinc/97/36/59/572973659.db2.gz DAJRUCVCAZZFNL-NSHDSACASA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](CN)[NH+]1CC(C)(C)C1 86679740 572973679 /nfs/dbraw/zinc/97/36/79/572973679.db2.gz JKEFHFKDEDTVPW-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC1(CC)CN(C[C@@H](C)C[NH3+])C1 86682118 572973696 /nfs/dbraw/zinc/97/36/96/572973696.db2.gz NHKYPQWAHJWXCD-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCCC1CN(C[C@H](C)C[NH3+])C1 86682183 572973727 /nfs/dbraw/zinc/97/37/27/572973727.db2.gz SWTZCQOQPSMDCZ-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H](CCN)[NH2+][C@H](C)CC 86682261 572973744 /nfs/dbraw/zinc/97/37/44/572973744.db2.gz OBDGCSAXKJNUNC-BDAKNGLRSA-N 1 3 158.289 1.502 10 0 ADAEHO CC(C)C1CN(C[C@@H](C)C[NH3+])C1 86682156 572973758 /nfs/dbraw/zinc/97/37/58/572973758.db2.gz GZMNNAJTPXLPNM-VIFPVBQESA-N 1 3 170.300 1.169 10 0 ADAEHO [NH3+]CCCCCN1CC2(CC2)C1 86682358 572973793 /nfs/dbraw/zinc/97/37/93/572973793.db2.gz MCUGSXBJFPMTRA-UHFFFAOYSA-N 1 3 168.284 1.211 10 0 ADAEHO CC[C@H](CCN)[NH+]1CC(C(C)C)C1 86682252 572973937 /nfs/dbraw/zinc/97/39/37/572973937.db2.gz DAJRUCVCAZZFNL-LLVKDONJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CC[NH3+])N1CC(C(C)(C)C)C1 86681951 572973958 /nfs/dbraw/zinc/97/39/58/572973958.db2.gz TXRZJDXMMSAFDM-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CCN)[NH+]1CC(C(C)(C)C)C1 86681951 572973960 /nfs/dbraw/zinc/97/39/60/572973960.db2.gz TXRZJDXMMSAFDM-VIFPVBQESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C1CN(C[C@H](C)C[NH3+])C1 86682158 572973993 /nfs/dbraw/zinc/97/39/93/572973993.db2.gz GZMNNAJTPXLPNM-SECBINFHSA-N 1 3 170.300 1.169 10 0 ADAEHO CCC(CC)[C@@H](C)[NH2+][C@H]1CCNC1 86730176 572974202 /nfs/dbraw/zinc/97/42/02/572974202.db2.gz NHEYRGIWGQDHHC-KOLCDFICSA-N 1 3 184.327 1.763 10 0 ADAEHO CCCCCC[NH2+][C@H]1CCNC1 86725441 572974736 /nfs/dbraw/zinc/97/47/36/572974736.db2.gz VKZVGEDIVRBEME-JTQLQIEISA-N 1 3 170.300 1.518 10 0 ADAEHO CCCCCC[NH2+][C@@H]1CCNC1 86725438 572974763 /nfs/dbraw/zinc/97/47/63/572974763.db2.gz VKZVGEDIVRBEME-SNVBAGLBSA-N 1 3 170.300 1.518 10 0 ADAEHO CC[C@H](CC1CC1)[NH2+][C@H]1CCNC1 86730246 572974963 /nfs/dbraw/zinc/97/49/63/572974963.db2.gz CHHBPBIPMIMNNJ-MNOVXSKESA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H](CC1CC1)[NH2+][C@@H]1CCNC1 86730240 572975033 /nfs/dbraw/zinc/97/50/33/572975033.db2.gz CHHBPBIPMIMNNJ-WDEREUQCSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC(CC)[C@@H](C)[NH2+][C@@H]1CCNC1 86730172 572975084 /nfs/dbraw/zinc/97/50/84/572975084.db2.gz NHEYRGIWGQDHHC-MWLCHTKSSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC(CC)[C@H](C)[NH2+][C@H]1CCNC1 86730178 572975172 /nfs/dbraw/zinc/97/51/72/572975172.db2.gz NHEYRGIWGQDHHC-ONGXEEELSA-N 1 3 184.327 1.763 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 236304114 572976669 /nfs/dbraw/zinc/97/66/69/572976669.db2.gz MJQFMSAFYUVOJK-GHMZBOCLSA-N 1 3 194.322 1.646 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CC[C@@H](C)C[C@H]1C 51730009 572978707 /nfs/dbraw/zinc/97/87/07/572978707.db2.gz RXGSCAIQFDGHCN-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@@H](CN)C(C)C 238192348 572978161 /nfs/dbraw/zinc/97/81/61/572978161.db2.gz WQMLXMKGLNINSM-UWVGGRQHSA-N 1 3 172.316 1.591 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CC[C@@H](C)C[C@H]1C 51730009 572978705 /nfs/dbraw/zinc/97/87/05/572978705.db2.gz RXGSCAIQFDGHCN-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@H](CN)C(C)C 238193052 572979494 /nfs/dbraw/zinc/97/94/94/572979494.db2.gz WQMLXMKGLNINSM-ZJUUUORDSA-N 1 3 172.316 1.591 10 0 ADAEHO CC[C@@](C)(N)C[N@H+](C)CCCOC 86810267 572983348 /nfs/dbraw/zinc/98/33/48/572983348.db2.gz ACSKFXBIUVZGFV-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@](C)(N)C[N@@H+](C)CCCOC 86810267 572983349 /nfs/dbraw/zinc/98/33/49/572983349.db2.gz ACSKFXBIUVZGFV-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CCC(N)(CC)C[N@H+](C)CC1CC1 86814438 572980149 /nfs/dbraw/zinc/98/01/49/572980149.db2.gz XRGQVJMGSWHRAI-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC(N)(CC)C[N@@H+](C)CC1CC1 86814438 572980150 /nfs/dbraw/zinc/98/01/50/572980150.db2.gz XRGQVJMGSWHRAI-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCN(c2ccncc2)[C@H]1C[NH3+] 299908484 572980451 /nfs/dbraw/zinc/98/04/51/572980451.db2.gz IWELVUVFGHLIPB-KOLCDFICSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@H]1CCN(c2ccncc2)[C@H]1C[NH3+] 299908485 572980726 /nfs/dbraw/zinc/98/07/26/572980726.db2.gz IWELVUVFGHLIPB-ONGXEEELSA-N 1 3 191.278 1.255 10 0 ADAEHO CC[NH+](CC)C[C@](C)(N)CC 86808737 572982367 /nfs/dbraw/zinc/98/23/67/572982367.db2.gz NBQGNGDOSQKFMB-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@@](C)([NH3+])CN[C@@H]1CC1(C)C 86810005 572981793 /nfs/dbraw/zinc/98/17/93/572981793.db2.gz YZBUHUMKPQROMQ-PSASIEDQSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[N@H+](C)C[C@](C)(N)CC 86809029 572981831 /nfs/dbraw/zinc/98/18/31/572981831.db2.gz NQDMHTFQOMWAOH-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](C)C[C@](C)(N)CC 86809029 572981833 /nfs/dbraw/zinc/98/18/33/572981833.db2.gz NQDMHTFQOMWAOH-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@](C)([NH3+])CN[C@H]1CC1(C)C 86810007 572982001 /nfs/dbraw/zinc/98/20/01/572982001.db2.gz YZBUHUMKPQROMQ-WPRPVWTQSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@](C)([NH3+])CN[C@@H]1CC1(C)C 86810002 572982045 /nfs/dbraw/zinc/98/20/45/572982045.db2.gz YZBUHUMKPQROMQ-SCZZXKLOSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@](C)(N)C[N@H+](C)CCCOC 86810265 572982052 /nfs/dbraw/zinc/98/20/52/572982052.db2.gz ACSKFXBIUVZGFV-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@](C)(N)C[N@@H+](C)CCCOC 86810265 572982053 /nfs/dbraw/zinc/98/20/53/572982053.db2.gz ACSKFXBIUVZGFV-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@](C)(N)C[NH2+]CCc1ccco1 86809683 572982302 /nfs/dbraw/zinc/98/23/02/572982302.db2.gz UCJYFBQFQDXNOP-LLVKDONJSA-N 1 3 196.294 1.539 10 0 ADAEHO CC[C@](C)(N)C[NH2+]CCc1ccco1 86809680 572982309 /nfs/dbraw/zinc/98/23/09/572982309.db2.gz UCJYFBQFQDXNOP-NSHDSACASA-N 1 3 196.294 1.539 10 0 ADAEHO CC[C@@](C)(N)C[NH2+]CCC(F)(F)F 86810346 572982496 /nfs/dbraw/zinc/98/24/96/572982496.db2.gz ZXQBGMNEYHDTDF-SSDOTTSWSA-N 1 3 198.232 1.656 10 0 ADAEHO CC[NH+](CC)C[C@@](C)(N)CC 86808734 572982748 /nfs/dbraw/zinc/98/27/48/572982748.db2.gz NBQGNGDOSQKFMB-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 236308214 572982755 /nfs/dbraw/zinc/98/27/55/572982755.db2.gz MJQFMSAFYUVOJK-MNOVXSKESA-N 1 3 194.322 1.646 10 0 ADAEHO CCC(N)(CC)C[NH2+]C1CC1 86814453 572982800 /nfs/dbraw/zinc/98/28/00/572982800.db2.gz NJLQVKNHUSATHJ-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO CCC([NH3+])(CC)CNC1CC1 86814453 572982801 /nfs/dbraw/zinc/98/28/01/572982801.db2.gz NJLQVKNHUSATHJ-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[N@H+](C)C[C@@](C)(N)CC 86808809 572983019 /nfs/dbraw/zinc/98/30/19/572983019.db2.gz JEDRKOGNIDEINJ-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](C)C[C@@](C)(N)CC 86808809 572983020 /nfs/dbraw/zinc/98/30/20/572983020.db2.gz JEDRKOGNIDEINJ-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CC[C@](C)(N)C[NH2+]CCC(F)(F)F 86810343 572983168 /nfs/dbraw/zinc/98/31/68/572983168.db2.gz ZXQBGMNEYHDTDF-ZETCQYMHSA-N 1 3 198.232 1.656 10 0 ADAEHO CC[N@H+](C[C@](C)(N)CC)C1CC1 86808983 572983210 /nfs/dbraw/zinc/98/32/10/572983210.db2.gz IXZIHEXLQGXEBE-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@@H+](C[C@](C)(N)CC)C1CC1 86808983 572983212 /nfs/dbraw/zinc/98/32/12/572983212.db2.gz IXZIHEXLQGXEBE-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@H+](C)C[C@@](C)(N)CC 86809032 572983397 /nfs/dbraw/zinc/98/33/97/572983397.db2.gz NQDMHTFQOMWAOH-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](C)C[C@@](C)(N)CC 86809032 572983398 /nfs/dbraw/zinc/98/33/98/572983398.db2.gz NQDMHTFQOMWAOH-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC[N@H+](C[C@@](C)(N)CC)C1CC1 86808979 572983416 /nfs/dbraw/zinc/98/34/16/572983416.db2.gz IXZIHEXLQGXEBE-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@@H+](C[C@@](C)(N)CC)C1CC1 86808979 572983418 /nfs/dbraw/zinc/98/34/18/572983418.db2.gz IXZIHEXLQGXEBE-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@](C)([NH3+])CN[C@H]1CC1(C)C 86810011 572983448 /nfs/dbraw/zinc/98/34/48/572983448.db2.gz YZBUHUMKPQROMQ-WCBMZHEXSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC(N)(CC)C[NH+]1CCCC1 86814242 572983842 /nfs/dbraw/zinc/98/38/42/572983842.db2.gz UUNNQGPTAIKFSH-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC([NH3+])(CC)CN1CCCC1 86814242 572983845 /nfs/dbraw/zinc/98/38/45/572983845.db2.gz UUNNQGPTAIKFSH-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC(N)(CC)C[NH2+][C@@H]1CC1(C)C 86814661 572985443 /nfs/dbraw/zinc/98/54/43/572985443.db2.gz QSWUXCFBXZLTAS-SECBINFHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[N@H+](CC(N)(CC)CC)C1CC1 86814321 572984176 /nfs/dbraw/zinc/98/41/76/572984176.db2.gz DEIRJTNNJLJANT-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@@H+](CC(N)(CC)CC)C1CC1 86814321 572984177 /nfs/dbraw/zinc/98/41/77/572984177.db2.gz DEIRJTNNJLJANT-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC(N)(CC)C[NH2+][C@H]1CC1(C)C 86814662 572986272 /nfs/dbraw/zinc/98/62/72/572986272.db2.gz QSWUXCFBXZLTAS-VIFPVBQESA-N 1 3 184.327 1.892 10 0 ADAEHO CCC(N)(CC)C[N@H+](C)C(C)C 86814280 572984322 /nfs/dbraw/zinc/98/43/22/572984322.db2.gz DCZLLACOFGYWOY-UHFFFAOYSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(N)(CC)C[N@@H+](C)C(C)C 86814280 572984323 /nfs/dbraw/zinc/98/43/23/572984323.db2.gz DCZLLACOFGYWOY-UHFFFAOYSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC([NH3+])(CC)CN1CCC[C@@H]1C 86814431 572984332 /nfs/dbraw/zinc/98/43/32/572984332.db2.gz BVLZOSBNWZNIDQ-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC([NH3+])(CC)CN1CCC[C@H]1C 86814433 572984559 /nfs/dbraw/zinc/98/45/59/572984559.db2.gz BVLZOSBNWZNIDQ-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[N@H+](C)CC(N)(CC)CC 86814339 572984761 /nfs/dbraw/zinc/98/47/61/572984761.db2.gz WFBIJOHOJMMPPI-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](C)CC(N)(CC)CC 86814339 572984763 /nfs/dbraw/zinc/98/47/63/572984763.db2.gz WFBIJOHOJMMPPI-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CC[N@H+](C)CC(N)(CC)CC 86814318 572984974 /nfs/dbraw/zinc/98/49/74/572984974.db2.gz ODSWOLRRJCQYAF-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[N@@H+](C)CC(N)(CC)CC 86814318 572984975 /nfs/dbraw/zinc/98/49/75/572984975.db2.gz ODSWOLRRJCQYAF-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC([NH3+])(CC)CN1CC[C@@H](C)C1 86814480 572985068 /nfs/dbraw/zinc/98/50/68/572985068.db2.gz BPGRCYHXINSHMC-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC([NH3+])(CC)CN[C@@H]1CC1(C)C 86814661 572985445 /nfs/dbraw/zinc/98/54/45/572985445.db2.gz QSWUXCFBXZLTAS-SECBINFHSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC([NH3+])(CC)CNC1CCC1 86814710 572985562 /nfs/dbraw/zinc/98/55/62/572985562.db2.gz LRZNFZIGKFFIHM-UHFFFAOYSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC([NH3+])(CC)CN[C@@H]1C[C@@H]1C 86814712 572986187 /nfs/dbraw/zinc/98/61/87/572986187.db2.gz JZTKYJKHOQPISS-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC([NH3+])(CC)CN1CC[C@H](C)C1 86814478 572986264 /nfs/dbraw/zinc/98/62/64/572986264.db2.gz BPGRCYHXINSHMC-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC([NH3+])(CC)CN[C@H]1CC1(C)C 86814662 572986274 /nfs/dbraw/zinc/98/62/74/572986274.db2.gz QSWUXCFBXZLTAS-VIFPVBQESA-N 1 3 184.327 1.892 10 0 ADAEHO CCC([NH3+])(CC)CN[C@H]1C[C@H]1C 86814717 572986376 /nfs/dbraw/zinc/98/63/76/572986376.db2.gz JZTKYJKHOQPISS-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC([NH3+])(CC)CN[C@H]1C[C@@H]1C 86814713 572986391 /nfs/dbraw/zinc/98/63/91/572986391.db2.gz JZTKYJKHOQPISS-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[N@@H+]1CCC=C(CNC2CC2)C1 258206223 572992725 /nfs/dbraw/zinc/99/27/25/572992725.db2.gz UYMGFTNFFIQRLE-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO CC[C@]1([C@@H]2CCCNC2)CCCC[NH2+]1 258207980 572994154 /nfs/dbraw/zinc/99/41/54/572994154.db2.gz NTTAWGFIQOXXCG-VXGBXAGGSA-N 1 3 196.338 1.908 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](C)NCCc1cccs1 308216456 572992525 /nfs/dbraw/zinc/99/25/25/572992525.db2.gz ZXHUREGDFGVAAB-RKDXNWHRSA-N 1 3 198.335 1.616 10 0 ADAEHO CC[N@H+]1CCC=C(CNC2CC2)C1 258206223 572992728 /nfs/dbraw/zinc/99/27/28/572992728.db2.gz UYMGFTNFFIQRLE-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO C[C@H](NCCc1cccs1)[C@@H](C)[NH3+] 308216447 572992806 /nfs/dbraw/zinc/99/28/06/572992806.db2.gz ZXHUREGDFGVAAB-BDAKNGLRSA-N 1 3 198.335 1.616 10 0 ADAEHO F[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 689831308 572993214 /nfs/dbraw/zinc/99/32/14/572993214.db2.gz UKCYARUHFRXUJB-VHSXEESVSA-N 1 3 186.274 1.030 10 0 ADAEHO CC[C@]1([C@H]2CCCNC2)CCCC[NH2+]1 258207977 572993416 /nfs/dbraw/zinc/99/34/16/572993416.db2.gz NTTAWGFIQOXXCG-NWDGAFQWSA-N 1 3 196.338 1.908 10 0 ADAEHO F[C@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 689831418 572993467 /nfs/dbraw/zinc/99/34/67/572993467.db2.gz UKCYARUHFRXUJB-ZJUUUORDSA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)NCCc1cccs1 308216450 572993474 /nfs/dbraw/zinc/99/34/74/572993474.db2.gz ZXHUREGDFGVAAB-DTWKUNHWSA-N 1 3 198.335 1.616 10 0 ADAEHO C[C@H](c1ccc(C[NH3+])[nH]1)N(C)C 258526208 572993966 /nfs/dbraw/zinc/99/39/66/572993966.db2.gz MVRRRDBVUUXZNB-SSDOTTSWSA-N 1 3 167.256 1.096 10 0 ADAEHO N[C@H](C[NH3+])CC1Cc2ccccc2C1 104531660 572994132 /nfs/dbraw/zinc/99/41/32/572994132.db2.gz BILHCHHGXWLLQT-LBPRGKRZSA-N 1 3 190.290 1.078 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)NCCc1cccs1 308216453 572994395 /nfs/dbraw/zinc/99/43/95/572994395.db2.gz ZXHUREGDFGVAAB-IUCAKERBSA-N 1 3 198.335 1.616 10 0 ADAEHO F[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C1 689831294 572995272 /nfs/dbraw/zinc/99/52/72/572995272.db2.gz UKCYARUHFRXUJB-NXEZZACHSA-N 1 3 186.274 1.030 10 0 ADAEHO CC[C@@H](C[C@H]1CCC[NH2+]1)NC 259594130 572995340 /nfs/dbraw/zinc/99/53/40/572995340.db2.gz XXETZPYIQFPRKT-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO F[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)C1 689831302 572995504 /nfs/dbraw/zinc/99/55/04/572995504.db2.gz UKCYARUHFRXUJB-UWVGGRQHSA-N 1 3 186.274 1.030 10 0 ADAEHO CC[C@@]1([C@H]2CCCNC2)CCCC[NH2+]1 258207978 572995874 /nfs/dbraw/zinc/99/58/74/572995874.db2.gz NTTAWGFIQOXXCG-RYUDHWBXSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[C@@H](C[C@@H]1CCC[NH2+]1)NC 259594133 572996459 /nfs/dbraw/zinc/99/64/59/572996459.db2.gz XXETZPYIQFPRKT-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H](C[N@H+](C)CCC1CC1)[C@@H](C)N 308219541 572996534 /nfs/dbraw/zinc/99/65/34/572996534.db2.gz KPRLMWOHLXJBCH-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](C[N@@H+](C)CCC1CC1)[C@@H](C)N 308219541 572996539 /nfs/dbraw/zinc/99/65/39/572996539.db2.gz KPRLMWOHLXJBCH-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN(C)CCC1CC1)[C@@H](C)[NH3+] 308219541 572996551 /nfs/dbraw/zinc/99/65/51/572996551.db2.gz KPRLMWOHLXJBCH-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CO[C@H](C)CN(C)[C@H](C)C[C@@H](C)[NH3+] 308219047 572997246 /nfs/dbraw/zinc/99/72/46/572997246.db2.gz NNSTWMWMZJRAKX-OPRDCNLKSA-N 1 3 188.315 1.079 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CC[C@@H]2C[C@@H]21 308218696 572997557 /nfs/dbraw/zinc/99/75/57/572997557.db2.gz NGWREOSIFKFKHP-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CC[C@@H]2C[C@@H]21 308218696 572997563 /nfs/dbraw/zinc/99/75/63/572997563.db2.gz NGWREOSIFKFKHP-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@](F)(CN)C[C@@H]1CCC[NH2+]C1 257923657 572998036 /nfs/dbraw/zinc/99/80/36/572998036.db2.gz RUGXCQULWBZNTB-IUCAKERBSA-N 1 3 174.263 1.063 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)CCCCF 308218257 572998064 /nfs/dbraw/zinc/99/80/64/572998064.db2.gz NEERXKICJSXGNV-JTQLQIEISA-N 1 3 190.306 1.523 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)CCCCF 308218257 572998069 /nfs/dbraw/zinc/99/80/69/572998069.db2.gz NEERXKICJSXGNV-JTQLQIEISA-N 1 3 190.306 1.523 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)CCCCF 308218257 572998076 /nfs/dbraw/zinc/99/80/76/572998076.db2.gz NEERXKICJSXGNV-JTQLQIEISA-N 1 3 190.306 1.523 10 0 ADAEHO CO[C@H](C)CN(C)[C@@H](C)C[C@@H](C)[NH3+] 308219036 572998492 /nfs/dbraw/zinc/99/84/92/572998492.db2.gz NNSTWMWMZJRAKX-KXUCPTDWSA-N 1 3 188.315 1.079 10 0 ADAEHO CNCCC[N@H+](C)[C@@H]1CC[C@H]2C[C@H]21 308218695 572999077 /nfs/dbraw/zinc/99/90/77/572999077.db2.gz NGWREOSIFKFKHP-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H]1CC[C@H]2C[C@H]21 308218695 572999079 /nfs/dbraw/zinc/99/90/79/572999079.db2.gz NGWREOSIFKFKHP-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@](F)(CN)C[C@@H]1CCC[NH2+]C1 257923655 572999140 /nfs/dbraw/zinc/99/91/40/572999140.db2.gz RUGXCQULWBZNTB-DTWKUNHWSA-N 1 3 174.263 1.063 10 0 ADAEHO C[NH2+]C[C@@H](C)CN(C)CCCCF 308218258 572999432 /nfs/dbraw/zinc/99/94/32/572999432.db2.gz NEERXKICJSXGNV-SNVBAGLBSA-N 1 3 190.306 1.523 10 0 ADAEHO CNC[C@@H](C)C[N@H+](C)CCCCF 308218258 572999439 /nfs/dbraw/zinc/99/94/39/572999439.db2.gz NEERXKICJSXGNV-SNVBAGLBSA-N 1 3 190.306 1.523 10 0 ADAEHO CNC[C@@H](C)C[N@@H+](C)CCCCF 308218258 572999445 /nfs/dbraw/zinc/99/94/45/572999445.db2.gz NEERXKICJSXGNV-SNVBAGLBSA-N 1 3 190.306 1.523 10 0 ADAEHO NCc1cc2cccc(C[NH3+])c2[nH]1 257919343 572999737 /nfs/dbraw/zinc/99/97/37/572999737.db2.gz RBBKOLUPDWFEIN-UHFFFAOYSA-N 1 3 175.235 1.085 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N1CCCCC1 87921738 573000377 /nfs/dbraw/zinc/00/03/77/573000377.db2.gz GNEPMVNDSVLKSD-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CCCC1 87921407 573000417 /nfs/dbraw/zinc/00/04/17/573000417.db2.gz LYGXRRPBFSGFBU-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87922504 573000339 /nfs/dbraw/zinc/00/03/39/573000339.db2.gz OGXSWHXEYMIUCA-OPRDCNLKSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87922504 573000343 /nfs/dbraw/zinc/00/03/43/573000343.db2.gz OGXSWHXEYMIUCA-OPRDCNLKSA-N 1 3 168.284 1.066 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[NH+]1CCCC1 87921407 573000424 /nfs/dbraw/zinc/00/04/24/573000424.db2.gz LYGXRRPBFSGFBU-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1(C)CC[NH+]([C@@H]2CC[C@@H]2CN)CC1 87922976 573000657 /nfs/dbraw/zinc/00/06/57/573000657.db2.gz FHLWKJSTZNDNRK-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@H](C)C[N@H+](C)CCC1CC1 308219536 573000670 /nfs/dbraw/zinc/00/06/70/573000670.db2.gz KPRLMWOHLXJBCH-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1CC[NH+]([C@@H]2CC[C@H]2CN)CC1 87921385 573000672 /nfs/dbraw/zinc/00/06/72/573000672.db2.gz SSMMIRASKIGTJY-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CCN([C@@H]2CC[C@H]2C[NH3+])CC1 87921385 573000676 /nfs/dbraw/zinc/00/06/76/573000676.db2.gz SSMMIRASKIGTJY-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](N)[C@H](C)C[N@@H+](C)CCC1CC1 308219536 573000678 /nfs/dbraw/zinc/00/06/78/573000678.db2.gz KPRLMWOHLXJBCH-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([NH3+])[C@H](C)CN(C)CCC1CC1 308219536 573000684 /nfs/dbraw/zinc/00/06/84/573000684.db2.gz KPRLMWOHLXJBCH-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87921337 573000789 /nfs/dbraw/zinc/00/07/89/573000789.db2.gz DBWXWRHFNPMSKF-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87921337 573000795 /nfs/dbraw/zinc/00/07/95/573000795.db2.gz DBWXWRHFNPMSKF-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923499 573000893 /nfs/dbraw/zinc/00/08/93/573000893.db2.gz BZQFYZAGZJAXPS-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923499 573000899 /nfs/dbraw/zinc/00/08/99/573000899.db2.gz BZQFYZAGZJAXPS-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC1CC[NH+]([C@H]2CC[C@H]2CN)CC1 87921230 573001121 /nfs/dbraw/zinc/00/11/21/573001121.db2.gz WJMIRGSAIVMECW-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 87921287 573000995 /nfs/dbraw/zinc/00/09/95/573000995.db2.gz VYVBSONRNNLXJK-DDHJBXDOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 87921287 573001004 /nfs/dbraw/zinc/00/10/04/573001004.db2.gz VYVBSONRNNLXJK-DDHJBXDOSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC1CCN([C@H]2CC[C@H]2C[NH3+])CC1 87921230 573001127 /nfs/dbraw/zinc/00/11/27/573001127.db2.gz WJMIRGSAIVMECW-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87921321 573001474 /nfs/dbraw/zinc/00/14/74/573001474.db2.gz DVARIXFYBYZBQT-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO NC[C@H]1CC[C@@H]1[NH+]1CCCCCCC1 87921843 573001487 /nfs/dbraw/zinc/00/14/87/573001487.db2.gz VSIWCDKLWQZWBF-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CC[C@H]1[NH+]1CCCCC1 87921739 573001552 /nfs/dbraw/zinc/00/15/52/573001552.db2.gz RAMCEKMHSIJYGS-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H]1N1CCCCC1 87921739 573001558 /nfs/dbraw/zinc/00/15/58/573001558.db2.gz RAMCEKMHSIJYGS-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@H]1CC[C@@H]1CN 87921949 573001654 /nfs/dbraw/zinc/00/16/54/573001654.db2.gz NGJJRQNTYFQUBE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](C1CCCC1)[C@H]1CC[C@@H]1CN 87921949 573001660 /nfs/dbraw/zinc/00/16/60/573001660.db2.gz NGJJRQNTYFQUBE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@](F)(CN)C[C@H]1CCC[NH2+]C1 257923652 573001676 /nfs/dbraw/zinc/00/16/76/573001676.db2.gz RUGXCQULWBZNTB-BDAKNGLRSA-N 1 3 174.263 1.063 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CCC(C)CC1 87921382 573001892 /nfs/dbraw/zinc/00/18/92/573001892.db2.gz OHKIBARWQVJLFY-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[NH+]1CCC(C)CC1 87921382 573001898 /nfs/dbraw/zinc/00/18/98/573001898.db2.gz OHKIBARWQVJLFY-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N1CCCCC1 87921736 573001979 /nfs/dbraw/zinc/00/19/79/573001979.db2.gz GNEPMVNDSVLKSD-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@@H]1CN 87921476 573001993 /nfs/dbraw/zinc/00/19/93/573001993.db2.gz AFKKJBXMTXWSJU-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(CC)[C@H]1CC[C@@H]1C[NH3+] 87921476 573001996 /nfs/dbraw/zinc/00/19/96/573001996.db2.gz AFKKJBXMTXWSJU-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CCCC1 87921409 573002693 /nfs/dbraw/zinc/00/26/93/573002693.db2.gz LYGXRRPBFSGFBU-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[NH+]1CCCC1 87921409 573002697 /nfs/dbraw/zinc/00/26/97/573002697.db2.gz LYGXRRPBFSGFBU-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87922028 573002139 /nfs/dbraw/zinc/00/21/39/573002139.db2.gz YCXKSALNNBRQGW-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1CN 87922028 573002146 /nfs/dbraw/zinc/00/21/46/573002146.db2.gz YCXKSALNNBRQGW-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1CC[NH+]([C@@H]2CC[C@H]2CN)CC1 87921229 573002183 /nfs/dbraw/zinc/00/21/83/573002183.db2.gz WJMIRGSAIVMECW-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CCN([C@@H]2CC[C@H]2C[NH3+])CC1 87921229 573002189 /nfs/dbraw/zinc/00/21/89/573002189.db2.gz WJMIRGSAIVMECW-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO NC[C@H]1CC[C@H]1[NH+]1CCCCCC1 87921569 573002242 /nfs/dbraw/zinc/00/22/42/573002242.db2.gz HZQZJRRGTRSANC-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87921716 573002318 /nfs/dbraw/zinc/00/23/18/573002318.db2.gz PVJUKZFSEIOLJJ-WRWGMCAJSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CC[C@@H]2CN)C1 87921716 573002327 /nfs/dbraw/zinc/00/23/27/573002327.db2.gz PVJUKZFSEIOLJJ-WRWGMCAJSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CC[C@@H]1CN 87921686 573002467 /nfs/dbraw/zinc/00/24/67/573002467.db2.gz SREGHSRENNUKQN-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CC[C@@H]1CN 87921686 573002472 /nfs/dbraw/zinc/00/24/72/573002472.db2.gz SREGHSRENNUKQN-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)N(C)[C@H]1CC[C@@H]1C[NH3+] 87921686 573002476 /nfs/dbraw/zinc/00/24/76/573002476.db2.gz SREGHSRENNUKQN-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)[C@H](C)C1 87922602 573002500 /nfs/dbraw/zinc/00/25/00/573002500.db2.gz ANCWQAKFLVAHMP-DDHJBXDOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)[C@H](C)C1 87922602 573002505 /nfs/dbraw/zinc/00/25/05/573002505.db2.gz ANCWQAKFLVAHMP-DDHJBXDOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87921499 573002523 /nfs/dbraw/zinc/00/25/23/573002523.db2.gz KGUAKBUUUXXYIF-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1CN 87921499 573002526 /nfs/dbraw/zinc/00/25/26/573002526.db2.gz KGUAKBUUUXXYIF-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCCCC1)[C@H]1CC[C@@H]1CN 87921668 573002620 /nfs/dbraw/zinc/00/26/20/573002620.db2.gz OWJQITUVEYOAHD-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCCCC1)[C@H]1CC[C@@H]1CN 87921668 573002624 /nfs/dbraw/zinc/00/26/24/573002624.db2.gz OWJQITUVEYOAHD-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@@H]1CN 87921928 573002654 /nfs/dbraw/zinc/00/26/54/573002654.db2.gz VEZAGJKVJPHXKC-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@@H]1CN 87921928 573002658 /nfs/dbraw/zinc/00/26/58/573002658.db2.gz VEZAGJKVJPHXKC-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87921928 573002664 /nfs/dbraw/zinc/00/26/64/573002664.db2.gz VEZAGJKVJPHXKC-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN[C@H](C[C@@H](C)C[NH3+])c1ccc(C)o1 259307513 573002922 /nfs/dbraw/zinc/00/29/22/573002922.db2.gz JFDBUQSDFGXMKR-PSASIEDQSA-N 1 3 196.294 1.833 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N1CCCC1 87921408 573002928 /nfs/dbraw/zinc/00/29/28/573002928.db2.gz LYGXRRPBFSGFBU-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[NH+]1CCCC1 87921408 573002936 /nfs/dbraw/zinc/00/29/36/573002936.db2.gz LYGXRRPBFSGFBU-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)[C@@H]1CCCNC1 259307684 573002954 /nfs/dbraw/zinc/00/29/54/573002954.db2.gz JGYMMZJEAHOFMC-NEPJUHHUSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)CC1 87923130 573002990 /nfs/dbraw/zinc/00/29/90/573002990.db2.gz QKCSRMRAFZUSNY-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)CC1 87923130 573002999 /nfs/dbraw/zinc/00/29/99/573002999.db2.gz QKCSRMRAFZUSNY-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CNC)[C@H](C(C)C)[NH+](C)C 259306400 573003123 /nfs/dbraw/zinc/00/31/23/573003123.db2.gz WPJXDPMGNDKMOC-MNOVXSKESA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](C(C)C)N(C)C 259306400 573003129 /nfs/dbraw/zinc/00/31/29/573003129.db2.gz WPJXDPMGNDKMOC-MNOVXSKESA-N 1 3 186.343 1.818 10 0 ADAEHO CC1(C)CC[NH+]([C@H]2CC[C@H]2CN)CC1 87922979 573003224 /nfs/dbraw/zinc/00/32/24/573003224.db2.gz FHLWKJSTZNDNRK-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](CNC)[C@@H](C(C)C)[NH+](C)C 259306402 573003229 /nfs/dbraw/zinc/00/32/29/573003229.db2.gz WPJXDPMGNDKMOC-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](C(C)C)N(C)C 259306402 573003235 /nfs/dbraw/zinc/00/32/35/573003235.db2.gz WPJXDPMGNDKMOC-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1CNC 87921908 573003275 /nfs/dbraw/zinc/00/32/75/573003275.db2.gz ZXAGDSAPDZXCGQ-GMTAPVOTSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1CNC 87921908 573003279 /nfs/dbraw/zinc/00/32/79/573003279.db2.gz ZXAGDSAPDZXCGQ-GMTAPVOTSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)[C@H]1CCCNC1 259307687 573003296 /nfs/dbraw/zinc/00/32/96/573003296.db2.gz JGYMMZJEAHOFMC-NWDGAFQWSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CC[C@@H]2CN)C[C@H]1C 87923440 573003321 /nfs/dbraw/zinc/00/33/21/573003321.db2.gz VBNFOCFYTGWJGW-GWOFURMSSA-N 1 3 182.311 1.312 10 0 ADAEHO CN[C@H](C[C@H](C)C[NH3+])c1ccc(C)o1 259307518 573003375 /nfs/dbraw/zinc/00/33/75/573003375.db2.gz JFDBUQSDFGXMKR-WCBMZHEXSA-N 1 3 196.294 1.833 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N1CCC(C)CC1 87921379 573003400 /nfs/dbraw/zinc/00/34/00/573003400.db2.gz OHKIBARWQVJLFY-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[C@H]1[NH+]1CCC(C)CC1 87921379 573003406 /nfs/dbraw/zinc/00/34/06/573003406.db2.gz OHKIBARWQVJLFY-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 82367071 573003429 /nfs/dbraw/zinc/00/34/29/573003429.db2.gz YZLZCIBKMVTBHQ-ULKQDVFKSA-N 1 3 168.284 1.269 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CCCCC1 87921737 573003454 /nfs/dbraw/zinc/00/34/54/573003454.db2.gz GNEPMVNDSVLKSD-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO NC[C@H]1CC[C@@H]1[NH+]1CCCCC1 87921740 573003473 /nfs/dbraw/zinc/00/34/73/573003473.db2.gz RAMCEKMHSIJYGS-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H]1N1CCCCC1 87921740 573003476 /nfs/dbraw/zinc/00/34/76/573003476.db2.gz RAMCEKMHSIJYGS-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[NH+]1CCCCCC1 87921572 573003528 /nfs/dbraw/zinc/00/35/28/573003528.db2.gz HZQZJRRGTRSANC-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO C[NH+](C)[C@H](C1CCCC1)C1CNC1 259305868 573003533 /nfs/dbraw/zinc/00/35/33/573003533.db2.gz DEVDPPXBCRRYFY-LLVKDONJSA-N 1 3 182.311 1.326 10 0 ADAEHO CN(C)[C@H](C1CCCC1)C1C[NH2+]C1 259305868 573003542 /nfs/dbraw/zinc/00/35/42/573003542.db2.gz DEVDPPXBCRRYFY-LLVKDONJSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1(C)CCC[N@@H+]([C@H]2CC[C@@H]2CN)C1 87923281 573005117 /nfs/dbraw/zinc/00/51/17/573005117.db2.gz HUPSRRZHVKNKIC-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC[NH+](CC)[C@H]1CC[C@H]1CN 87921478 573003653 /nfs/dbraw/zinc/00/36/53/573003653.db2.gz AFKKJBXMTXWSJU-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(CC)[C@H]1CC[C@H]1C[NH3+] 87921478 573003660 /nfs/dbraw/zinc/00/36/60/573003660.db2.gz AFKKJBXMTXWSJU-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN[C@@H]1[C@H](C)C[C@@H](C)[NH2+][C@@H]1C 238250496 573003701 /nfs/dbraw/zinc/00/37/01/573003701.db2.gz SWLCRBOLCWISGY-ZYUZMQFOSA-N 1 3 170.300 1.371 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CC[C@@H]1CN 87921685 573003714 /nfs/dbraw/zinc/00/37/14/573003714.db2.gz SREGHSRENNUKQN-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@@H]1CN 87921685 573003719 /nfs/dbraw/zinc/00/37/19/573003719.db2.gz SREGHSRENNUKQN-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[C@@H]1C[NH3+] 87921685 573003728 /nfs/dbraw/zinc/00/37/28/573003728.db2.gz SREGHSRENNUKQN-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]2CN)C[C@@H]1C 87923438 573003789 /nfs/dbraw/zinc/00/37/89/573003789.db2.gz VBNFOCFYTGWJGW-LMLFDSFASA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]2CN)C[C@@H]1C 87923438 573003794 /nfs/dbraw/zinc/00/37/94/573003794.db2.gz VBNFOCFYTGWJGW-LMLFDSFASA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H]1CN 87923378 573003918 /nfs/dbraw/zinc/00/39/18/573003918.db2.gz SEDKJBJIVYNCFK-WRWGMCAJSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H]1CN 87923378 573003923 /nfs/dbraw/zinc/00/39/23/573003923.db2.gz SEDKJBJIVYNCFK-WRWGMCAJSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87922350 573003944 /nfs/dbraw/zinc/00/39/44/573003944.db2.gz JSHNIAXITYIBEG-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87922350 573003949 /nfs/dbraw/zinc/00/39/49/573003949.db2.gz JSHNIAXITYIBEG-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CCCCC1 87921735 573004010 /nfs/dbraw/zinc/00/40/10/573004010.db2.gz GNEPMVNDSVLKSD-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[NH+]1CCCCCC1 87921565 573004032 /nfs/dbraw/zinc/00/40/32/573004032.db2.gz QCQJULLBZSMAJZ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87923388 573004128 /nfs/dbraw/zinc/00/41/28/573004128.db2.gz ZISIQOGUHNKFCT-GRYCIOLGSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87923388 573004130 /nfs/dbraw/zinc/00/41/30/573004130.db2.gz ZISIQOGUHNKFCT-GRYCIOLGSA-N 1 3 196.338 1.844 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1CCC(C)(C)C1 87923497 573005329 /nfs/dbraw/zinc/00/53/29/573005329.db2.gz ACLRRZKOZNPOFU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@H]1CN 87921477 573004152 /nfs/dbraw/zinc/00/41/52/573004152.db2.gz AFKKJBXMTXWSJU-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@H]1C[NH3+] 87921477 573004155 /nfs/dbraw/zinc/00/41/55/573004155.db2.gz AFKKJBXMTXWSJU-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH+](CC)[C@@H]1CC[C@@H]1CN 87921475 573004237 /nfs/dbraw/zinc/00/42/37/573004237.db2.gz AFKKJBXMTXWSJU-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(CC)[C@@H]1CC[C@@H]1C[NH3+] 87921475 573004244 /nfs/dbraw/zinc/00/42/44/573004244.db2.gz AFKKJBXMTXWSJU-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)(C)[C@@H]1[C@@H](CN)C2CC[NH+]1CC2 258215254 573004313 /nfs/dbraw/zinc/00/43/13/573004313.db2.gz XZLHXBXYVRTSMW-QWRGUYRKSA-N 1 3 196.338 1.702 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[NH+]1CCCCCCC1 87921845 573005546 /nfs/dbraw/zinc/00/55/46/573005546.db2.gz VSIWCDKLWQZWBF-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[NH+]1CCCCCC1 87921566 573004447 /nfs/dbraw/zinc/00/44/47/573004447.db2.gz QCQJULLBZSMAJZ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1CC[NH+]([C@H]2CC[C@H]2CN)CC1 87921386 573005647 /nfs/dbraw/zinc/00/56/47/573005647.db2.gz SSMMIRASKIGTJY-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC1CC[NH+]([C@@H]2CC[C@@H]2CN)CC1 87921227 573004604 /nfs/dbraw/zinc/00/46/04/573004604.db2.gz WJMIRGSAIVMECW-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CCN([C@@H]2CC[C@@H]2C[NH3+])CC1 87921227 573004608 /nfs/dbraw/zinc/00/46/08/573004608.db2.gz WJMIRGSAIVMECW-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1CCN([C@H]2CC[C@H]2C[NH3+])CC1 87921386 573005650 /nfs/dbraw/zinc/00/56/50/573005650.db2.gz SSMMIRASKIGTJY-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO NC[C@@H]1CC[C@H]1[NH+]1CCCCCCC1 87921844 573004704 /nfs/dbraw/zinc/00/47/04/573004704.db2.gz VSIWCDKLWQZWBF-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)(C)[C@H]1[C@@H](CN)C2CC[NH+]1CC2 258215259 573004718 /nfs/dbraw/zinc/00/47/18/573004718.db2.gz XZLHXBXYVRTSMW-WDEREUQCSA-N 1 3 196.338 1.702 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@@H]1CN 87921929 573004774 /nfs/dbraw/zinc/00/47/74/573004774.db2.gz VEZAGJKVJPHXKC-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@@H]1CN 87921929 573004781 /nfs/dbraw/zinc/00/47/81/573004781.db2.gz VEZAGJKVJPHXKC-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCN(C)[C@H]1CC[C@@H]1C[NH3+] 87921929 573004787 /nfs/dbraw/zinc/00/47/87/573004787.db2.gz VEZAGJKVJPHXKC-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO NC[C@@H](C[NH2+]C1CC1)C1CCC1 258215147 573004810 /nfs/dbraw/zinc/00/48/10/573004810.db2.gz JZTWSVDRZTYDBJ-VIFPVBQESA-N 1 3 168.284 1.113 10 0 ADAEHO [NH3+]C[C@@H](CNC1CC1)C1CCC1 258215147 573004818 /nfs/dbraw/zinc/00/48/18/573004818.db2.gz JZTWSVDRZTYDBJ-VIFPVBQESA-N 1 3 168.284 1.113 10 0 ADAEHO CC1CC[NH+]([C@H]2CC[C@@H]2CN)CC1 87921384 573004866 /nfs/dbraw/zinc/00/48/66/573004866.db2.gz SSMMIRASKIGTJY-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CCN([C@H]2CC[C@@H]2C[NH3+])CC1 87921384 573004871 /nfs/dbraw/zinc/00/48/71/573004871.db2.gz SSMMIRASKIGTJY-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@@H]1CC[C@@H]1CN 87921948 573004893 /nfs/dbraw/zinc/00/48/93/573004893.db2.gz NGJJRQNTYFQUBE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](C1CCCC1)[C@@H]1CC[C@@H]1CN 87921948 573004899 /nfs/dbraw/zinc/00/48/99/573004899.db2.gz NGJJRQNTYFQUBE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[NH+]1CCCCCC1 87921567 573004988 /nfs/dbraw/zinc/00/49/88/573004988.db2.gz QCQJULLBZSMAJZ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CCC[N@H+]([C@H]2CC[C@@H]2CN)C1 87923281 573005124 /nfs/dbraw/zinc/00/51/24/573005124.db2.gz HUPSRRZHVKNKIC-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCCN([C@H]2CC[C@@H]2C[NH3+])C1 87923281 573005131 /nfs/dbraw/zinc/00/51/31/573005131.db2.gz HUPSRRZHVKNKIC-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](C1CCCCC1)[C@@H]1CC[C@@H]1CN 87921667 573005201 /nfs/dbraw/zinc/00/52/01/573005201.db2.gz OWJQITUVEYOAHD-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCCCC1)[C@@H]1CC[C@@H]1CN 87921667 573005205 /nfs/dbraw/zinc/00/52/05/573005205.db2.gz OWJQITUVEYOAHD-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CNC[C@H]1CC[C@H]1[NH+]1CCCCCC1 87921568 573005256 /nfs/dbraw/zinc/00/52/56/573005256.db2.gz QCQJULLBZSMAJZ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[NH+]1CCCCC1 87921742 573005271 /nfs/dbraw/zinc/00/52/71/573005271.db2.gz RAMCEKMHSIJYGS-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CCCCC1 87921742 573005279 /nfs/dbraw/zinc/00/52/79/573005279.db2.gz RAMCEKMHSIJYGS-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1C[C@@H](C)[C@@H](C)C1 87923435 573005304 /nfs/dbraw/zinc/00/53/04/573005304.db2.gz LCIWZYAOOCHADF-WRWGMCAJSA-N 1 3 196.338 1.572 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1C[C@@H](C)[C@@H](C)C1 87923435 573005311 /nfs/dbraw/zinc/00/53/11/573005311.db2.gz LCIWZYAOOCHADF-WRWGMCAJSA-N 1 3 196.338 1.572 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1CCC(C)(C)C1 87923497 573005334 /nfs/dbraw/zinc/00/53/34/573005334.db2.gz ACLRRZKOZNPOFU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N1CCC(C)(C)C1 87923497 573005338 /nfs/dbraw/zinc/00/53/38/573005338.db2.gz ACLRRZKOZNPOFU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CC[C@@H]2CN)C1 87923500 573005368 /nfs/dbraw/zinc/00/53/68/573005368.db2.gz BZQFYZAGZJAXPS-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CC[C@@H]2CN)C1 87923500 573005376 /nfs/dbraw/zinc/00/53/76/573005376.db2.gz BZQFYZAGZJAXPS-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC1CC[NH+]([C@H]2CC[C@@H]2CN)CC1 87921228 573005395 /nfs/dbraw/zinc/00/53/95/573005395.db2.gz WJMIRGSAIVMECW-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CCN([C@H]2CC[C@@H]2C[NH3+])CC1 87921228 573005397 /nfs/dbraw/zinc/00/53/97/573005397.db2.gz WJMIRGSAIVMECW-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@H]1N1CCCC1 87921410 573005421 /nfs/dbraw/zinc/00/54/21/573005421.db2.gz LYGXRRPBFSGFBU-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1CC[C@H]1[NH+]1CCCC1 87921410 573005427 /nfs/dbraw/zinc/00/54/27/573005427.db2.gz LYGXRRPBFSGFBU-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)(C)[C@@H]1[C@H](CN)C2CC[NH+]1CC2 258215251 573005441 /nfs/dbraw/zinc/00/54/41/573005441.db2.gz XZLHXBXYVRTSMW-MNOVXSKESA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923280 573005499 /nfs/dbraw/zinc/00/54/99/573005499.db2.gz HUPSRRZHVKNKIC-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923280 573005503 /nfs/dbraw/zinc/00/55/03/573005503.db2.gz HUPSRRZHVKNKIC-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCCN([C@@H]2CC[C@@H]2C[NH3+])C1 87923280 573005508 /nfs/dbraw/zinc/00/55/08/573005508.db2.gz HUPSRRZHVKNKIC-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CNCC[NH2+][C@H](C)Cc1ccco1 42594000 573005570 /nfs/dbraw/zinc/00/55/70/573005570.db2.gz GABLYUHQXHSGCM-SECBINFHSA-N 1 3 182.267 1.020 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+]1CCC(C)(C)C1 87923498 573005576 /nfs/dbraw/zinc/00/55/76/573005576.db2.gz ACLRRZKOZNPOFU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+][C@@H]1[C@H]2CC[C@@H]1[C@@H](N(C)C)CC2 238250924 573005578 /nfs/dbraw/zinc/00/55/78/573005578.db2.gz HDXLJCRPMGCGRZ-WHOHXGKFSA-N 1 3 196.338 1.715 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+]1CCC(C)(C)C1 87923498 573005582 /nfs/dbraw/zinc/00/55/82/573005582.db2.gz ACLRRZKOZNPOFU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N1CCC(C)(C)C1 87923498 573005587 /nfs/dbraw/zinc/00/55/87/573005587.db2.gz ACLRRZKOZNPOFU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CNC)[C@H](C(C)C)[NH+](C)C 259306401 573005623 /nfs/dbraw/zinc/00/56/23/573005623.db2.gz WPJXDPMGNDKMOC-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](C(C)C)N(C)C 259306401 573005628 /nfs/dbraw/zinc/00/56/28/573005628.db2.gz WPJXDPMGNDKMOC-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CC1CC[NH+]([C@@H]2CC[C@@H]2CN)CC1 87921383 573005698 /nfs/dbraw/zinc/00/56/98/573005698.db2.gz SSMMIRASKIGTJY-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CCN([C@@H]2CC[C@@H]2C[NH3+])CC1 87921383 573005703 /nfs/dbraw/zinc/00/57/03/573005703.db2.gz SSMMIRASKIGTJY-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[N@@H+]1CC=C(CNC2CC2)C1 258214211 573005720 /nfs/dbraw/zinc/00/57/20/573005720.db2.gz VLLZTIDZRATKEY-UHFFFAOYSA-N 1 3 166.268 1.000 10 0 ADAEHO CC[N@H+]1CC=C(CNC2CC2)C1 258214211 573005727 /nfs/dbraw/zinc/00/57/27/573005727.db2.gz VLLZTIDZRATKEY-UHFFFAOYSA-N 1 3 166.268 1.000 10 0 ADAEHO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87923298 573005752 /nfs/dbraw/zinc/00/57/52/573005752.db2.gz HHURKZRZMSBECI-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](N)C[NH2+]CCc1ccco1 42594392 573005753 /nfs/dbraw/zinc/00/57/53/573005753.db2.gz NUOINSKRVFTETM-SECBINFHSA-N 1 3 182.267 1.149 10 0 ADAEHO C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[C@@H]1CN 87923298 573005759 /nfs/dbraw/zinc/00/57/59/573005759.db2.gz HHURKZRZMSBECI-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO NC[C@@H]1CC[C@H]1[NH+]1CCCCCC1 87921571 573005780 /nfs/dbraw/zinc/00/57/80/573005780.db2.gz HZQZJRRGTRSANC-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@H]1CC[C@@H]1[NH+]1CCCCCC1 87921570 573005963 /nfs/dbraw/zinc/00/59/63/573005963.db2.gz HZQZJRRGTRSANC-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@@H]1CC[C@H]1[NH+]1CCCCC1 87921741 573005883 /nfs/dbraw/zinc/00/58/83/573005883.db2.gz RAMCEKMHSIJYGS-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H]1N1CCCCC1 87921741 573005888 /nfs/dbraw/zinc/00/58/88/573005888.db2.gz RAMCEKMHSIJYGS-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO CNCC[NH2+][C@@H](C)Cc1ccco1 42593997 573006241 /nfs/dbraw/zinc/00/62/41/573006241.db2.gz GABLYUHQXHSGCM-VIFPVBQESA-N 1 3 182.267 1.020 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@@H+]1CCCC1(C)C 87923093 573006558 /nfs/dbraw/zinc/00/65/58/573006558.db2.gz YZDIPCIRGNYTGO-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[N@H+]1CCCC1(C)C 87923093 573006565 /nfs/dbraw/zinc/00/65/65/573006565.db2.gz YZDIPCIRGNYTGO-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@H]1CC[C@@H]1CN 87923095 573006587 /nfs/dbraw/zinc/00/65/87/573006587.db2.gz CSQHULQPTGCSTM-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@H]1CC[C@@H]1CN 87923095 573006593 /nfs/dbraw/zinc/00/65/93/573006593.db2.gz CSQHULQPTGCSTM-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CCC(C)CC1 87921381 573006813 /nfs/dbraw/zinc/00/68/13/573006813.db2.gz OHKIBARWQVJLFY-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[NH+]1CCC(C)CC1 87921381 573006819 /nfs/dbraw/zinc/00/68/19/573006819.db2.gz OHKIBARWQVJLFY-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)[C@H]1CCCNC1 259307689 573006860 /nfs/dbraw/zinc/00/68/60/573006860.db2.gz JGYMMZJEAHOFMC-RYUDHWBXSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H](N)C[NH2+]CCc1ccco1 42594389 573008723 /nfs/dbraw/zinc/00/87/23/573008723.db2.gz NUOINSKRVFTETM-VIFPVBQESA-N 1 3 182.267 1.149 10 0 ADAEHO CC(C)(C)[C@H]1[C@H](CN)C2CC[NH+]1CC2 258215245 573007075 /nfs/dbraw/zinc/00/70/75/573007075.db2.gz XZLHXBXYVRTSMW-GHMZBOCLSA-N 1 3 196.338 1.702 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)[C@@H]1CCCNC1 259307692 573007120 /nfs/dbraw/zinc/00/71/20/573007120.db2.gz JGYMMZJEAHOFMC-VXGBXAGGSA-N 1 3 196.338 1.764 10 0 ADAEHO C[NH+](C)[C@@H](C1CCCC1)C1CNC1 259305873 573007221 /nfs/dbraw/zinc/00/72/21/573007221.db2.gz DEVDPPXBCRRYFY-NSHDSACASA-N 1 3 182.311 1.326 10 0 ADAEHO CN(C)[C@@H](C1CCCC1)C1C[NH2+]C1 259305873 573007225 /nfs/dbraw/zinc/00/72/25/573007225.db2.gz DEVDPPXBCRRYFY-NSHDSACASA-N 1 3 182.311 1.326 10 0 ADAEHO CN[C@@H](C[C@@H](C)C[NH3+])c1ccc(C)o1 259307516 573007577 /nfs/dbraw/zinc/00/75/77/573007577.db2.gz JFDBUQSDFGXMKR-SCZZXKLOSA-N 1 3 196.294 1.833 10 0 ADAEHO C[C@H]([NH3+])CCN[C@H](C)Cc1ccco1 42594125 573007638 /nfs/dbraw/zinc/00/76/38/573007638.db2.gz HFUIEEIRODUIAS-VHSXEESVSA-N 1 3 196.294 1.538 10 0 ADAEHO CC[N@@H+]1CCC=C([C@H](C)NC)C1 258216162 573007646 /nfs/dbraw/zinc/00/76/46/573007646.db2.gz VLZNKZGCQJEHEV-VIFPVBQESA-N 1 3 168.284 1.246 10 0 ADAEHO CC[N@H+]1CCC=C([C@H](C)NC)C1 258216162 573007649 /nfs/dbraw/zinc/00/76/49/573007649.db2.gz VLZNKZGCQJEHEV-VIFPVBQESA-N 1 3 168.284 1.246 10 0 ADAEHO CC(C)(N)C[NH2+]CCc1ccco1 42594328 573007895 /nfs/dbraw/zinc/00/78/95/573007895.db2.gz ICFDPPFWWYWXEB-UHFFFAOYSA-N 1 3 182.267 1.149 10 0 ADAEHO CC[C@H](CNC)[C@@H](C(C)C)[NH+](C)C 259306398 573008297 /nfs/dbraw/zinc/00/82/97/573008297.db2.gz WPJXDPMGNDKMOC-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](C(C)C)N(C)C 259306398 573008301 /nfs/dbraw/zinc/00/83/01/573008301.db2.gz WPJXDPMGNDKMOC-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO CN[C@@H](C[C@H](C)C[NH3+])c1ccc(C)o1 259307520 573008418 /nfs/dbraw/zinc/00/84/18/573008418.db2.gz JFDBUQSDFGXMKR-WPRPVWTQSA-N 1 3 196.294 1.833 10 0 ADAEHO CC(C)[C@@H](N)C[NH2+]CCc1ccco1 42594296 573008844 /nfs/dbraw/zinc/00/88/44/573008844.db2.gz QJZNHEXYSXCJBP-NSHDSACASA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccco1 42594120 573009428 /nfs/dbraw/zinc/00/94/28/573009428.db2.gz HFUIEEIRODUIAS-UWVGGRQHSA-N 1 3 196.294 1.538 10 0 ADAEHO CC(C)[C@H](N)C[NH2+]CCc1ccco1 42594294 573009154 /nfs/dbraw/zinc/00/91/54/573009154.db2.gz QJZNHEXYSXCJBP-LLVKDONJSA-N 1 3 196.294 1.395 10 0 ADAEHO CC1(C)CCCN1C[C@@H]([NH3+])CC1CC1 308474399 573009553 /nfs/dbraw/zinc/00/95/53/573009553.db2.gz KMXURLSYUAWCOI-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CCC[C@H]1C[C@]1(C)CCC[NH2+]1 258220037 573009633 /nfs/dbraw/zinc/00/96/33/573009633.db2.gz ORDHWBAZSSHUEC-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]([NH2+]C)[C@H](CNC)C(C)C 259309079 573010098 /nfs/dbraw/zinc/01/00/98/573010098.db2.gz QTNZPJNBBZJYEX-NXEZZACHSA-N 1 3 172.316 1.476 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1(C)CCC1 235683161 573010911 /nfs/dbraw/zinc/01/09/11/573010911.db2.gz VUNIWVSLINREJP-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1(C)CCC1 235683161 573010916 /nfs/dbraw/zinc/01/09/16/573010916.db2.gz VUNIWVSLINREJP-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1CC1(C)CCC1 235683161 573010920 /nfs/dbraw/zinc/01/09/20/573010920.db2.gz VUNIWVSLINREJP-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]([NH2+]C)[C@H](CNC)C(C)C 259309099 573010949 /nfs/dbraw/zinc/01/09/49/573010949.db2.gz QTNZPJNBBZJYEX-ZJUUUORDSA-N 1 3 172.316 1.476 10 0 ADAEHO CN1CCC[C@@H]1C[C@@]1(C)CCC[NH2+]1 258220033 573011050 /nfs/dbraw/zinc/01/10/50/573011050.db2.gz ORDHWBAZSSHUEC-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CP(C)CCC[NH3+] 104560743 573011171 /nfs/dbraw/zinc/01/11/71/573011171.db2.gz IQLGWYSFONAXMK-UHFFFAOYSA-N 1 3 119.148 1.077 10 0 ADAEHO CCC[N@H+]1CCCNCC[C@@H]1C 259308674 573012520 /nfs/dbraw/zinc/01/25/20/573012520.db2.gz HUJXHHLDZPOMTP-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@@H]([NH2+]C)[C@@H](CNC)C(C)C 259309092 573011832 /nfs/dbraw/zinc/01/18/32/573011832.db2.gz QTNZPJNBBZJYEX-VHSXEESVSA-N 1 3 172.316 1.476 10 0 ADAEHO NC[C@@H](C[NH2+]C1CCCC1)C1CCC1 258218344 573012273 /nfs/dbraw/zinc/01/22/73/573012273.db2.gz KFMCNJQXWVUHHR-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO CN1CCC[C@H]1C[C@@]1(C)CCC[NH2+]1 258220039 573012339 /nfs/dbraw/zinc/01/23/39/573012339.db2.gz ORDHWBAZSSHUEC-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[N@@H+]1CCCNCC[C@@H]1C 259308674 573012517 /nfs/dbraw/zinc/01/25/17/573012517.db2.gz HUJXHHLDZPOMTP-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CN1CCC[C@@H]1C[C@]1(C)CCC[NH2+]1 258220035 573013418 /nfs/dbraw/zinc/01/34/18/573013418.db2.gz ORDHWBAZSSHUEC-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+](CCCCF)C[C@@H](C)CN 308223401 573014850 /nfs/dbraw/zinc/01/48/50/573014850.db2.gz PMJXRMBHRYMTNE-JTQLQIEISA-N 1 3 190.306 1.653 10 0 ADAEHO CC[N@@H+](CCCCF)C[C@@H](C)CN 308223401 573014858 /nfs/dbraw/zinc/01/48/58/573014858.db2.gz PMJXRMBHRYMTNE-JTQLQIEISA-N 1 3 190.306 1.653 10 0 ADAEHO CC[N@H+](CCCCF)C[C@H](C)CN 308223405 573015062 /nfs/dbraw/zinc/01/50/62/573015062.db2.gz PMJXRMBHRYMTNE-SNVBAGLBSA-N 1 3 190.306 1.653 10 0 ADAEHO CC[N@@H+](CCCCF)C[C@H](C)CN 308223405 573015065 /nfs/dbraw/zinc/01/50/65/573015065.db2.gz PMJXRMBHRYMTNE-SNVBAGLBSA-N 1 3 190.306 1.653 10 0 ADAEHO C[N@@H+]1CC(C)(C)NC[C@H]2CCCC[C@@H]21 82385540 573015095 /nfs/dbraw/zinc/01/50/95/573015095.db2.gz XLWYNYJKVSZBJY-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[N@H+]1CC(C)(C)NC[C@H]2CCCC[C@@H]21 82385540 573015107 /nfs/dbraw/zinc/01/51/07/573015107.db2.gz XLWYNYJKVSZBJY-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@H](c1ccc[nH]1)C1CC([NH3+])C1 259312158 573015862 /nfs/dbraw/zinc/01/58/62/573015862.db2.gz DJVGIHXPWPVZKZ-AMUVOQDHSA-N 1 3 193.294 1.355 10 0 ADAEHO CC[C@H]1[C@@H]2CCCC[C@H]2NCC[N@@H+]1C 82385522 573018286 /nfs/dbraw/zinc/01/82/86/573018286.db2.gz SAXDSYICVYJSGD-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1[C@@H]2CCCC[C@H]2NCC[N@H+]1C 82385522 573018292 /nfs/dbraw/zinc/01/82/92/573018292.db2.gz SAXDSYICVYJSGD-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1[C@@H]2CCCC[C@H]2[NH2+]CCN1C 82385522 573018299 /nfs/dbraw/zinc/01/82/99/573018299.db2.gz SAXDSYICVYJSGD-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[N@H+](CCCN)[C@@H]1CCC[C@H]2C[C@H]21 308227130 573018357 /nfs/dbraw/zinc/01/83/57/573018357.db2.gz RAUAMGORRNYEMY-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](CCCN)[C@@H]1CCC[C@H]2C[C@H]21 308227130 573018364 /nfs/dbraw/zinc/01/83/64/573018364.db2.gz RAUAMGORRNYEMY-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO [NH3+]CCCc1ccc2c(c1)CNC2 258224668 573018548 /nfs/dbraw/zinc/01/85/48/573018548.db2.gz RFCVUYQBKLTWHJ-UHFFFAOYSA-N 1 3 176.263 1.181 10 0 ADAEHO C[C@]12CCCC[N@@H+]1C=CCNC2 141703953 573020203 /nfs/dbraw/zinc/02/02/03/573020203.db2.gz VJNUFFNGZLRWFF-SNVBAGLBSA-N 1 3 166.268 1.348 10 0 ADAEHO C[C@]12CCCC[N@H+]1C=CCNC2 141703953 573020209 /nfs/dbraw/zinc/02/02/09/573020209.db2.gz VJNUFFNGZLRWFF-SNVBAGLBSA-N 1 3 166.268 1.348 10 0 ADAEHO CN(C)[C@@H](c1ccc[nH]1)C1CC([NH3+])C1 259312163 573020302 /nfs/dbraw/zinc/02/03/02/573020302.db2.gz DJVGIHXPWPVZKZ-NWGYLPEXSA-N 1 3 193.294 1.355 10 0 ADAEHO CC[C@@H](C)[N@H+](CCOC)C[C@H](C)N 158476782 573021707 /nfs/dbraw/zinc/02/17/07/573021707.db2.gz LFQDJYHFOWCEDA-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](C)[N@@H+](CCOC)C[C@H](C)N 158476782 573021713 /nfs/dbraw/zinc/02/17/13/573021713.db2.gz LFQDJYHFOWCEDA-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CCCC[N@@H+]1CCN[C@H](CC)CC1 49660890 573021831 /nfs/dbraw/zinc/02/18/31/573021831.db2.gz DTBDUJAEOGTHGX-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+]1CCN[C@H](CC)CC1 49660890 573021835 /nfs/dbraw/zinc/02/18/35/573021835.db2.gz DTBDUJAEOGTHGX-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CN(Cc1ccco1)C[C@H]1C[C@H]1C[NH3+] 715117018 573022049 /nfs/dbraw/zinc/02/20/49/573022049.db2.gz YPVQWLZEQCOCDH-VHSXEESVSA-N 1 3 194.278 1.306 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438496 573022182 /nfs/dbraw/zinc/02/21/82/573022182.db2.gz HRVMOHQIZIRLND-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438496 573022189 /nfs/dbraw/zinc/02/21/89/573022189.db2.gz HRVMOHQIZIRLND-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438545 573022592 /nfs/dbraw/zinc/02/25/92/573022592.db2.gz FGDLRTHVXLDYSW-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438545 573022600 /nfs/dbraw/zinc/02/26/00/573022600.db2.gz FGDLRTHVXLDYSW-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@H+](CCCN)[C@@H]1CCC[C@@H]2C[C@@H]21 308227132 573022652 /nfs/dbraw/zinc/02/26/52/573022652.db2.gz RAUAMGORRNYEMY-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+](CCCN)[C@@H]1CCC[C@@H]2C[C@@H]21 308227132 573022658 /nfs/dbraw/zinc/02/26/58/573022658.db2.gz RAUAMGORRNYEMY-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO COCN1CCC[C@@H]1C1CC[NH2+]CC1 85438723 573022675 /nfs/dbraw/zinc/02/26/75/573022675.db2.gz XIFPBFQJYOBIFD-LLVKDONJSA-N 1 3 198.310 1.054 10 0 ADAEHO CCCC[NH2+]C[C@@](C)(CC)CN 128480524 573022769 /nfs/dbraw/zinc/02/27/69/573022769.db2.gz JEXWYABWEQTDDE-JTQLQIEISA-N 1 3 172.316 1.751 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]CC(C)(C)C 128482317 573022837 /nfs/dbraw/zinc/02/28/37/573022837.db2.gz YQCKFNUQXOGPGN-NSHDSACASA-N 1 3 186.343 1.997 10 0 ADAEHO C[N@@H+]1CCCC[C@H](CN)[C@H]1C1CC1 82394902 573022840 /nfs/dbraw/zinc/02/28/40/573022840.db2.gz KTGYCROXBBUWAG-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCC[C@H](CN)[C@H]1C1CC1 82394902 573022847 /nfs/dbraw/zinc/02/28/47/573022847.db2.gz KTGYCROXBBUWAG-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO NC[C@@H](C[NH2+]C1CCC1)C1CCC1 258229245 573022945 /nfs/dbraw/zinc/02/29/45/573022945.db2.gz KVMSOVOCFGVWQF-JTQLQIEISA-N 1 3 182.311 1.504 10 0 ADAEHO CCCC[NH2+]C[C@](C)(CC)CN 128480740 573023899 /nfs/dbraw/zinc/02/38/99/573023899.db2.gz JEXWYABWEQTDDE-SNVBAGLBSA-N 1 3 172.316 1.751 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC[C@@H]1CC[C@@H]2C[C@H]12 717056317 573023974 /nfs/dbraw/zinc/02/39/74/573023974.db2.gz DYGLZACZSSMMDE-WRWGMCAJSA-N 1 3 196.338 1.750 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]CC1CC1 128479562 573024086 /nfs/dbraw/zinc/02/40/86/573024086.db2.gz KSNGUDDURDWAGE-JTQLQIEISA-N 1 3 170.300 1.361 10 0 ADAEHO CN[C@H](c1sccc1C)[C@H](C)C[NH3+] 259596541 573024242 /nfs/dbraw/zinc/02/42/42/573024242.db2.gz WWDKAZOBGUSUAQ-BDAKNGLRSA-N 1 3 198.335 1.912 10 0 ADAEHO CCCC[N@@H+]1CCN[C@@H](CC)CC1 49660888 573024390 /nfs/dbraw/zinc/02/43/90/573024390.db2.gz DTBDUJAEOGTHGX-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+]1CCN[C@@H](CC)CC1 49660888 573024395 /nfs/dbraw/zinc/02/43/95/573024395.db2.gz DTBDUJAEOGTHGX-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CN(Cc1ccco1)C[C@@H]1C[C@H]1C[NH3+] 715117016 573024523 /nfs/dbraw/zinc/02/45/23/573024523.db2.gz YPVQWLZEQCOCDH-UWVGGRQHSA-N 1 3 194.278 1.306 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]C1CCCC1 128478393 573025468 /nfs/dbraw/zinc/02/54/68/573025468.db2.gz BUAVHAJVCAHRHD-LLVKDONJSA-N 1 3 184.327 1.894 10 0 ADAEHO CN(Cc1ccco1)C[C@H]1C[C@@H]1C[NH3+] 715117013 573025699 /nfs/dbraw/zinc/02/56/99/573025699.db2.gz YPVQWLZEQCOCDH-NXEZZACHSA-N 1 3 194.278 1.306 10 0 ADAEHO CN(C)[C@@H]1CC[C@H]([NH2+]CC2CC2)C1 308477343 573026328 /nfs/dbraw/zinc/02/63/28/573026328.db2.gz MEYVYLQYTXNZEP-WDEREUQCSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[NH2+]C[C@](C)(CC)CN 128474684 573026349 /nfs/dbraw/zinc/02/63/49/573026349.db2.gz BBHNWNGBELFOIA-SECBINFHSA-N 1 3 158.289 1.361 10 0 ADAEHO COCN1CCC[C@H]1C1CC[NH2+]CC1 85438726 573026382 /nfs/dbraw/zinc/02/63/82/573026382.db2.gz XIFPBFQJYOBIFD-NSHDSACASA-N 1 3 198.310 1.054 10 0 ADAEHO CC1CC[NH+](C[C@@H](N)CC2CC2)CC1 308477018 573026686 /nfs/dbraw/zinc/02/66/86/573026686.db2.gz LKJFSUPAQDTRBJ-LBPRGKRZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]CC1CC1 128479811 573026886 /nfs/dbraw/zinc/02/68/86/573026886.db2.gz KSNGUDDURDWAGE-SNVBAGLBSA-N 1 3 170.300 1.361 10 0 ADAEHO CCC[NH2+]C[C@@](C)(CC)CN 128474471 573026972 /nfs/dbraw/zinc/02/69/72/573026972.db2.gz BBHNWNGBELFOIA-VIFPVBQESA-N 1 3 158.289 1.361 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438494 573027024 /nfs/dbraw/zinc/02/70/24/573027024.db2.gz HRVMOHQIZIRLND-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438494 573027030 /nfs/dbraw/zinc/02/70/30/573027030.db2.gz HRVMOHQIZIRLND-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](c1sccc1C)[C@@H](C)C[NH3+] 259596543 573027032 /nfs/dbraw/zinc/02/70/32/573027032.db2.gz WWDKAZOBGUSUAQ-DTWKUNHWSA-N 1 3 198.335 1.912 10 0 ADAEHO CN[C@H](c1sccc1C)[C@@H](C)C[NH3+] 259596545 573027060 /nfs/dbraw/zinc/02/70/60/573027060.db2.gz WWDKAZOBGUSUAQ-IUCAKERBSA-N 1 3 198.335 1.912 10 0 ADAEHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438543 573027679 /nfs/dbraw/zinc/02/76/79/573027679.db2.gz FGDLRTHVXLDYSW-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438543 573027686 /nfs/dbraw/zinc/02/76/86/573027686.db2.gz FGDLRTHVXLDYSW-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CN(C)[C@H]1CC[C@H]([NH2+]CC2CC2)C1 308477342 573027747 /nfs/dbraw/zinc/02/77/47/573027747.db2.gz MEYVYLQYTXNZEP-QWRGUYRKSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]CC(C)(C)C 128482551 573028225 /nfs/dbraw/zinc/02/82/25/573028225.db2.gz YQCKFNUQXOGPGN-LLVKDONJSA-N 1 3 186.343 1.997 10 0 ADAEHO CN(C)[C@@H]1CC[C@@H]([NH2+]CC2CC2)C1 308477340 573028244 /nfs/dbraw/zinc/02/82/44/573028244.db2.gz MEYVYLQYTXNZEP-GHMZBOCLSA-N 1 3 182.311 1.469 10 0 ADAEHO NCCC[N@H+](CCCCF)C1CC1 308227781 573028406 /nfs/dbraw/zinc/02/84/06/573028406.db2.gz RMDRVHUDMMCQOS-UHFFFAOYSA-N 1 3 188.290 1.549 10 0 ADAEHO NCCC[N@@H+](CCCCF)C1CC1 308227781 573028416 /nfs/dbraw/zinc/02/84/16/573028416.db2.gz RMDRVHUDMMCQOS-UHFFFAOYSA-N 1 3 188.290 1.549 10 0 ADAEHO [NH3+]CCCN(CCCCF)C1CC1 308227781 573028425 /nfs/dbraw/zinc/02/84/25/573028425.db2.gz RMDRVHUDMMCQOS-UHFFFAOYSA-N 1 3 188.290 1.549 10 0 ADAEHO CCc1ccc([C@@H](N)[C@@H](C)C[NH3+])cc1 259314145 573029191 /nfs/dbraw/zinc/02/91/91/573029191.db2.gz KOWFDFVCYSLWKP-CABZTGNLSA-N 1 3 192.306 1.844 10 0 ADAEHO CC1(C)C[C@H](N)[C@@H]([NH3+])C(C)(C)C1 238248248 573029207 /nfs/dbraw/zinc/02/92/07/573029207.db2.gz PDGZSEPWDXNGJA-JGVFFNPUSA-N 1 3 170.300 1.487 10 0 ADAEHO CCNC[C@@H](C)[C@@H](C)[N@H+](C)CC1CC1 87947609 573029248 /nfs/dbraw/zinc/02/92/48/573029248.db2.gz QTSAGRQMQOSQDC-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CCNC[C@@H](C)[C@@H](C)[N@@H+](C)CC1CC1 87947609 573029253 /nfs/dbraw/zinc/02/92/53/573029253.db2.gz QTSAGRQMQOSQDC-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(C)CC1CC1 87947609 573029263 /nfs/dbraw/zinc/02/92/63/573029263.db2.gz QTSAGRQMQOSQDC-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](N)C(C)(C)[NH+](C)C 82409161 573030825 /nfs/dbraw/zinc/03/08/25/573030825.db2.gz IXYXYHYSNZUFAU-SSDOTTSWSA-N 1 3 144.262 1.064 10 0 ADAEHO CCc1ccc([C@@H](N)[C@H](C)C[NH3+])cc1 259314157 573030881 /nfs/dbraw/zinc/03/08/81/573030881.db2.gz KOWFDFVCYSLWKP-SKDRFNHKSA-N 1 3 192.306 1.844 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+][C@H]1CC1(C)C 128492195 573030895 /nfs/dbraw/zinc/03/08/95/573030895.db2.gz WPWIRSJSRWKOLO-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@](C)(C[NH3+])CN[C@H]1CC1(C)C 128492195 573030899 /nfs/dbraw/zinc/03/08/99/573030899.db2.gz WPWIRSJSRWKOLO-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@](C)(CN)C[NH2+][C@@H]1CC1(C)C 128491996 573031016 /nfs/dbraw/zinc/03/10/16/573031016.db2.gz WPWIRSJSRWKOLO-MWLCHTKSSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@](C)(C[NH3+])CN[C@@H]1CC1(C)C 128491996 573031024 /nfs/dbraw/zinc/03/10/24/573031024.db2.gz WPWIRSJSRWKOLO-MWLCHTKSSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCNc1cc(C)nc(C)c1C[NH3+] 87974900 573031514 /nfs/dbraw/zinc/03/15/14/573031514.db2.gz QLPSPZSWXPJDAV-UHFFFAOYSA-N 1 3 193.294 1.979 10 0 ADAEHO CCN(C)c1cc(C)nc(C)c1C[NH3+] 87974861 573031211 /nfs/dbraw/zinc/03/12/11/573031211.db2.gz LNYDTGPJDZOEFP-UHFFFAOYSA-N 1 3 193.294 1.613 10 0 ADAEHO CN(C)CCC1([NH3+])CCCC1 82406189 573031748 /nfs/dbraw/zinc/03/17/48/573031748.db2.gz FHQSSIRCRGOMIE-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+][C@@H]1CC1(C)C 128491771 573031891 /nfs/dbraw/zinc/03/18/91/573031891.db2.gz WPWIRSJSRWKOLO-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO Cc1cc(NC(C)C)c(C[NH3+])c(C)n1 87974902 573031878 /nfs/dbraw/zinc/03/18/78/573031878.db2.gz AWMPCTONSULWIC-UHFFFAOYSA-N 1 3 193.294 1.977 10 0 ADAEHO CC[C@@](C)(C[NH3+])CN[C@@H]1CC1(C)C 128491771 573031895 /nfs/dbraw/zinc/03/18/95/573031895.db2.gz WPWIRSJSRWKOLO-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCCC[NH+]1CCCNCCC1 49663771 573032055 /nfs/dbraw/zinc/03/20/55/573032055.db2.gz RZTLOGMVVFZTFW-UHFFFAOYSA-N 1 3 184.327 1.862 10 0 ADAEHO CCCCCN1CCC[NH2+]CCC1 49663771 573032060 /nfs/dbraw/zinc/03/20/60/573032060.db2.gz RZTLOGMVVFZTFW-UHFFFAOYSA-N 1 3 184.327 1.862 10 0 ADAEHO CCc1ccc([C@H](N)[C@H](C)C[NH3+])cc1 259314139 573032614 /nfs/dbraw/zinc/03/26/14/573032614.db2.gz KOWFDFVCYSLWKP-BXKDBHETSA-N 1 3 192.306 1.844 10 0 ADAEHO C[C@H](CC[NH2+]C[C@]1(C)C[C@H]1C)N(C)C 714620351 573032990 /nfs/dbraw/zinc/03/29/90/573032990.db2.gz JDTWVFWSNARNDS-UTUOFQBUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNc1cc(C)nc(C)c1C[NH3+] 87974896 573033832 /nfs/dbraw/zinc/03/38/32/573033832.db2.gz IASPIFQLXJEDGJ-UHFFFAOYSA-N 1 3 165.240 1.199 10 0 ADAEHO CCNc1cc(C)nc(C)c1C[NH3+] 87974897 573034118 /nfs/dbraw/zinc/03/41/18/573034118.db2.gz NSFWTHCBNJDKPW-UHFFFAOYSA-N 1 3 179.267 1.589 10 0 ADAEHO Cc1cc(N(C)C)c(C[NH3+])c(C)n1 87974858 573034314 /nfs/dbraw/zinc/03/43/14/573034314.db2.gz WKKSAHGVOIXZGI-UHFFFAOYSA-N 1 3 179.267 1.223 10 0 ADAEHO CCN1CC[C@@H](C2([NH3+])CCCCC2)C1 257925518 573034593 /nfs/dbraw/zinc/03/45/93/573034593.db2.gz GRUPFOFZVCHAOO-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO Cc1cc(NC2CC2)c(C[NH3+])c(C)n1 87974906 573034771 /nfs/dbraw/zinc/03/47/71/573034771.db2.gz HTNOJAIZLHRGBJ-UHFFFAOYSA-N 1 3 191.278 1.731 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCS[C@H](C)C1 123487250 573038048 /nfs/dbraw/zinc/03/80/48/573038048.db2.gz TWVQYPTWNZCNGJ-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CCN1CC[C@H](C2([NH3+])CCCCC2)C1 257925520 573038208 /nfs/dbraw/zinc/03/82/08/573038208.db2.gz GRUPFOFZVCHAOO-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CCN(CCC[NH3+])CCCF 88024207 573038264 /nfs/dbraw/zinc/03/82/64/573038264.db2.gz QKILKFLNIOPSCY-UHFFFAOYSA-N 1 3 162.252 1.017 10 0 ADAEHO CO[C@H](C)CN(C)CCC(C)(C)[NH3+] 308237569 573040504 /nfs/dbraw/zinc/04/05/04/573040504.db2.gz WSKVVPODOHAEMN-SECBINFHSA-N 1 3 188.315 1.081 10 0 ADAEHO CN1CCC[C@H]1C1([NH3+])CCCC1 257934249 573041616 /nfs/dbraw/zinc/04/16/16/573041616.db2.gz HKSPTWILYIATKY-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1C[C@H]1C1CC1 717082831 573041755 /nfs/dbraw/zinc/04/17/55/573041755.db2.gz XXOLAUICHVIBSM-MIMYLULJSA-N 1 3 182.311 1.359 10 0 ADAEHO CC[C@](C)(CN)C[NH2+][C@H]1CC1(C)C 128492380 573041114 /nfs/dbraw/zinc/04/11/14/573041114.db2.gz WPWIRSJSRWKOLO-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@](C)(C[NH3+])CN[C@H]1CC1(C)C 128492380 573041123 /nfs/dbraw/zinc/04/11/23/573041123.db2.gz WPWIRSJSRWKOLO-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@](C)([NH3+])CN[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 717075500 573041420 /nfs/dbraw/zinc/04/14/20/573041420.db2.gz DJBOYUJFMBICCS-ROHXPCBUSA-N 1 3 196.338 1.748 10 0 ADAEHO C[N@@H+]1CCC[C@H]1C1(N)CCCC1 257934249 573041600 /nfs/dbraw/zinc/04/16/00/573041600.db2.gz HKSPTWILYIATKY-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1CCC[C@H]1C1(N)CCCC1 257934249 573041608 /nfs/dbraw/zinc/04/16/08/573041608.db2.gz HKSPTWILYIATKY-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO [NH3+]C1C[C@@H]2CC[C@H](C1)N2CCCF 88026326 573042519 /nfs/dbraw/zinc/04/25/19/573042519.db2.gz NHTGBMFWANENAA-PBINXNQUSA-N 1 3 186.274 1.300 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCF 88026326 573042525 /nfs/dbraw/zinc/04/25/25/573042525.db2.gz NHTGBMFWANENAA-PBINXNQUSA-N 1 3 186.274 1.300 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2CCCF 88026326 573042530 /nfs/dbraw/zinc/04/25/30/573042530.db2.gz NHTGBMFWANENAA-PBINXNQUSA-N 1 3 186.274 1.300 10 0 ADAEHO CCC[C@@H](N)CC[NH2+][C@H](C)CC 128577000 573042561 /nfs/dbraw/zinc/04/25/61/573042561.db2.gz BQSSPCKXTFJUJV-NXEZZACHSA-N 1 3 172.316 1.892 10 0 ADAEHO C[C@@H]1C[N@H+](CCCF)CCCN1 88027509 573042710 /nfs/dbraw/zinc/04/27/10/573042710.db2.gz OISKSLALWAIUKM-SECBINFHSA-N 1 3 174.263 1.030 10 0 ADAEHO C[C@@H]1C[N@@H+](CCCF)CCCN1 88027509 573042717 /nfs/dbraw/zinc/04/27/17/573042717.db2.gz OISKSLALWAIUKM-SECBINFHSA-N 1 3 174.263 1.030 10 0 ADAEHO CCC[NH2+]CC[C@@H](N)CCC 128574583 573042937 /nfs/dbraw/zinc/04/29/37/573042937.db2.gz FLRHUSTVYLODOK-VIFPVBQESA-N 1 3 158.289 1.504 10 0 ADAEHO CCC[C@H](N)CC[NH2+]C(C)(C)C 128575029 573043026 /nfs/dbraw/zinc/04/30/26/573043026.db2.gz IRZYVHYFDPCSOE-VIFPVBQESA-N 1 3 172.316 1.892 10 0 ADAEHO CCC[C@H]([NH3+])CCNC1CC1 128577222 573043055 /nfs/dbraw/zinc/04/30/55/573043055.db2.gz PDFKGMDMBJXKED-QMMMGPOBSA-N 1 3 156.273 1.256 10 0 ADAEHO CCC[C@@H]1C[C@H]1NCC1([NH3+])CCC1 233305903 573043115 /nfs/dbraw/zinc/04/31/15/573043115.db2.gz HEFANMPETROBCB-NXEZZACHSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]([NH3+])[C@H](C)CN1CCC1(C)C 642826617 573043244 /nfs/dbraw/zinc/04/32/44/573043244.db2.gz LFQSPKZKQMEGGB-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@@H]([NH3+])CCNC1CC1 128577423 573043257 /nfs/dbraw/zinc/04/32/57/573043257.db2.gz PDFKGMDMBJXKED-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO CCC[C@H](N)CC[NH2+][C@@H](C)CC 128576379 573043392 /nfs/dbraw/zinc/04/33/92/573043392.db2.gz BQSSPCKXTFJUJV-UWVGGRQHSA-N 1 3 172.316 1.892 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1C1(N)CCCC1 257934246 573043452 /nfs/dbraw/zinc/04/34/52/573043452.db2.gz HKSPTWILYIATKY-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[N@H+]1CCC[C@@H]1C1(N)CCCC1 257934246 573043457 /nfs/dbraw/zinc/04/34/57/573043457.db2.gz HKSPTWILYIATKY-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CN1CCC[C@@H]1C1([NH3+])CCCC1 257934246 573043461 /nfs/dbraw/zinc/04/34/61/573043461.db2.gz HKSPTWILYIATKY-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CCC[C@H](N)CC[NH2+]CC(C)C 128577640 573043495 /nfs/dbraw/zinc/04/34/95/573043495.db2.gz ZVBZRJPGURGCFK-JTQLQIEISA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@H](N)CC[NH2+]CC1CC1 128579530 573043562 /nfs/dbraw/zinc/04/35/62/573043562.db2.gz IMXLGZILQKINDL-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H]1C[N@H+](CCCF)CCCN1 88027510 573044741 /nfs/dbraw/zinc/04/47/41/573044741.db2.gz OISKSLALWAIUKM-VIFPVBQESA-N 1 3 174.263 1.030 10 0 ADAEHO C[C@H]1C[N@@H+](CCCF)CCCN1 88027510 573044747 /nfs/dbraw/zinc/04/47/47/573044747.db2.gz OISKSLALWAIUKM-VIFPVBQESA-N 1 3 174.263 1.030 10 0 ADAEHO CCC[C@@H]1C[C@H]1NCC1([NH3+])CC1 233305902 573043772 /nfs/dbraw/zinc/04/37/72/573043772.db2.gz FHIVZZYXKYKGJB-RKDXNWHRSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@H+](CCCF)C1 88026455 573043795 /nfs/dbraw/zinc/04/37/95/573043795.db2.gz NUPMYZJLTZFPJG-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@@H+](CCCF)C1 88026455 573043801 /nfs/dbraw/zinc/04/38/01/573043801.db2.gz NUPMYZJLTZFPJG-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO CCCC[NH2+]CC[C@@H](N)CCC 128580620 573044136 /nfs/dbraw/zinc/04/41/36/573044136.db2.gz DICZGCQXNBGVQE-JTQLQIEISA-N 1 3 172.316 1.894 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1C[C@@H]1C1CC1 717082824 573044209 /nfs/dbraw/zinc/04/42/09/573044209.db2.gz XXOLAUICHVIBSM-FBIMIBRVSA-N 1 3 182.311 1.359 10 0 ADAEHO CCC[C@H](N)CC[NH2+]C(C)C 128575469 573044228 /nfs/dbraw/zinc/04/42/28/573044228.db2.gz QWCOVZRHTDNLCO-VIFPVBQESA-N 1 3 158.289 1.502 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1C[C@@H]1C1CC1 717082827 573044858 /nfs/dbraw/zinc/04/48/58/573044858.db2.gz XXOLAUICHVIBSM-IEBDPFPHSA-N 1 3 182.311 1.359 10 0 ADAEHO CCCC[NH2+]CC[C@H](N)CCC 128580417 573045004 /nfs/dbraw/zinc/04/50/04/573045004.db2.gz DICZGCQXNBGVQE-SNVBAGLBSA-N 1 3 172.316 1.894 10 0 ADAEHO CN[C@H](C)c1cnc([C@H]2CC[NH2+]C2)o1 257935202 573045448 /nfs/dbraw/zinc/04/54/48/573045448.db2.gz FCVWLPVIUPYGJH-SFYZADRCSA-N 1 3 195.266 1.032 10 0 ADAEHO CCC[C@@H](N)CC[NH2+]CC(C)C 128577909 573045141 /nfs/dbraw/zinc/04/51/41/573045141.db2.gz ZVBZRJPGURGCFK-SNVBAGLBSA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@@H](N)CC[NH2+]C(C)(C)C 128575247 573045742 /nfs/dbraw/zinc/04/57/42/573045742.db2.gz IRZYVHYFDPCSOE-SECBINFHSA-N 1 3 172.316 1.892 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@H+](CCCF)C1 88026453 573045757 /nfs/dbraw/zinc/04/57/57/573045757.db2.gz NUPMYZJLTZFPJG-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@@H+](CCCF)C1 88026453 573045763 /nfs/dbraw/zinc/04/57/63/573045763.db2.gz NUPMYZJLTZFPJG-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO CCC[C@@H](N)CC[NH2+]C(C)C 128575688 573045850 /nfs/dbraw/zinc/04/58/50/573045850.db2.gz QWCOVZRHTDNLCO-SECBINFHSA-N 1 3 158.289 1.502 10 0 ADAEHO C[C@H]1C[C@@H](N)C[N@H+](CCCF)C1 88026456 573045988 /nfs/dbraw/zinc/04/59/88/573045988.db2.gz NUPMYZJLTZFPJG-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@H]1C[C@@H](N)C[N@@H+](CCCF)C1 88026456 573045990 /nfs/dbraw/zinc/04/59/90/573045990.db2.gz NUPMYZJLTZFPJG-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@H]1C[C@H](N)C[N@H+](CCCF)C1 88026454 573046318 /nfs/dbraw/zinc/04/63/18/573046318.db2.gz NUPMYZJLTZFPJG-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@H]1C[C@H](N)C[N@@H+](CCCF)C1 88026454 573046327 /nfs/dbraw/zinc/04/63/27/573046327.db2.gz NUPMYZJLTZFPJG-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO CCC[C@@H](N)CC[NH2+][C@@H](C)CC 128576600 573046351 /nfs/dbraw/zinc/04/63/51/573046351.db2.gz BQSSPCKXTFJUJV-VHSXEESVSA-N 1 3 172.316 1.892 10 0 ADAEHO CC(C)[C@H]([NH2+][C@@H](C)C1CNC1)C1CC1 686252249 573046375 /nfs/dbraw/zinc/04/63/75/573046375.db2.gz SBKZZHRGLBLHET-CABZTGNLSA-N 1 3 196.338 1.619 10 0 ADAEHO CC1(C)C[N@H+](CCCF)CCCN1 88027514 573046744 /nfs/dbraw/zinc/04/67/44/573046744.db2.gz SQAZZOQYLFWEMC-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO CC1(C)C[N@@H+](CCCF)CCCN1 88027514 573046751 /nfs/dbraw/zinc/04/67/51/573046751.db2.gz SQAZZOQYLFWEMC-UHFFFAOYSA-N 1 3 188.290 1.420 10 0 ADAEHO C[C@H](C[NH3+])c1cnc([C@H]2CCCN2)o1 257935072 573046767 /nfs/dbraw/zinc/04/67/67/573046767.db2.gz FCHPPDVUGKPLSV-HTQZYQBOSA-N 1 3 195.266 1.161 10 0 ADAEHO C[NH2+]C[C@H]1CCN(C2CC(C)C2)C1 123514975 573046931 /nfs/dbraw/zinc/04/69/31/573046931.db2.gz WDZLHNXWDMMWCL-HSOILSAZSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C2CC(C)C2)C1 123514975 573046935 /nfs/dbraw/zinc/04/69/35/573046935.db2.gz WDZLHNXWDMMWCL-HSOILSAZSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[N@H+](C2CC(C)C2)C1 123514975 573046941 /nfs/dbraw/zinc/04/69/41/573046941.db2.gz WDZLHNXWDMMWCL-HSOILSAZSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[N@@H+]1CCCNCCC1(C)C 259317839 573047161 /nfs/dbraw/zinc/04/71/61/573047161.db2.gz IEIWMYAAXPDHJI-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[N@H+]1CCCNCCC1(C)C 259317839 573047165 /nfs/dbraw/zinc/04/71/65/573047165.db2.gz IEIWMYAAXPDHJI-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC(C)C2)[C@@H](C)C1 123514231 573047487 /nfs/dbraw/zinc/04/74/87/573047487.db2.gz MLXQCYGVXKZVOX-LVFLEHKBSA-N 1 3 196.338 1.857 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CC(C)C2)[C@@H](C)C1 123514231 573047494 /nfs/dbraw/zinc/04/74/94/573047494.db2.gz MLXQCYGVXKZVOX-LVFLEHKBSA-N 1 3 196.338 1.857 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CC(C)C2)[C@@H](C)C1 123514231 573047502 /nfs/dbraw/zinc/04/75/02/573047502.db2.gz MLXQCYGVXKZVOX-LVFLEHKBSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H](C[NH3+])c1cnc([C@@H]2CCCN2)o1 257935081 573047621 /nfs/dbraw/zinc/04/76/21/573047621.db2.gz FCHPPDVUGKPLSV-YUMQZZPRSA-N 1 3 195.266 1.161 10 0 ADAEHO C[C@@H](C[NH3+])c1cnc([C@H]2CCCN2)o1 257935076 573047652 /nfs/dbraw/zinc/04/76/52/573047652.db2.gz FCHPPDVUGKPLSV-JGVFFNPUSA-N 1 3 195.266 1.161 10 0 ADAEHO CC(C)[C@@H]([NH2+][C@H](C)C1CNC1)C1CC1 686252248 573047684 /nfs/dbraw/zinc/04/76/84/573047684.db2.gz SBKZZHRGLBLHET-BXKDBHETSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H](C[NH3+])c1cnc([C@@H]2CCCN2)o1 257935079 573047795 /nfs/dbraw/zinc/04/77/95/573047795.db2.gz FCHPPDVUGKPLSV-SFYZADRCSA-N 1 3 195.266 1.161 10 0 ADAEHO CCC[C@H](N)CC[NH2+][C@H](C)CC 128576812 573048003 /nfs/dbraw/zinc/04/80/03/573048003.db2.gz BQSSPCKXTFJUJV-ZJUUUORDSA-N 1 3 172.316 1.892 10 0 ADAEHO CN[C@@H](C)c1cnc([C@@H]2CC[NH2+]C2)o1 257935198 573048491 /nfs/dbraw/zinc/04/84/91/573048491.db2.gz FCVWLPVIUPYGJH-JGVFFNPUSA-N 1 3 195.266 1.032 10 0 ADAEHO CN[C@H](C)c1cnc([C@@H]2CC[NH2+]C2)o1 257935194 573048677 /nfs/dbraw/zinc/04/86/77/573048677.db2.gz FCVWLPVIUPYGJH-HTQZYQBOSA-N 1 3 195.266 1.032 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 717078493 573049770 /nfs/dbraw/zinc/04/97/70/573049770.db2.gz NDCTUMALPAFCLZ-ZIQFBCGOSA-N 1 3 196.338 1.476 10 0 ADAEHO CN[C@@H](C)c1cnc([C@H]2CC[NH2+]C2)o1 257935205 573048972 /nfs/dbraw/zinc/04/89/72/573048972.db2.gz FCVWLPVIUPYGJH-YUMQZZPRSA-N 1 3 195.266 1.032 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@@](C)(CC)CN 128496973 573048975 /nfs/dbraw/zinc/04/89/75/573048975.db2.gz NWUMMKLQPFRBNT-MNOVXSKESA-N 1 3 186.343 1.997 10 0 ADAEHO CC(C)[C@@H]([NH2+][C@@H](C)C1CNC1)C1CC1 686252253 573049313 /nfs/dbraw/zinc/04/93/13/573049313.db2.gz SBKZZHRGLBLHET-JOYOIKCWSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@](C)(CC)CN 128497614 573049627 /nfs/dbraw/zinc/04/96/27/573049627.db2.gz NWUMMKLQPFRBNT-WDEREUQCSA-N 1 3 186.343 1.997 10 0 ADAEHO CC(C)[C@H]([NH2+][C@H](C)C1CNC1)C1CC1 686252254 573049709 /nfs/dbraw/zinc/04/97/09/573049709.db2.gz SBKZZHRGLBLHET-SKDRFNHKSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+][C@H]1C[C@@H]1C1CC1 717081073 573050713 /nfs/dbraw/zinc/05/07/13/573050713.db2.gz SRPLGPXFPXMDJI-MKHNBGRSSA-N 1 3 182.311 1.358 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 40717051 573050837 /nfs/dbraw/zinc/05/08/37/573050837.db2.gz BLHVYDMAKAKBMB-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+][C@@H]1C[C@@H]1C1CC1 717081069 573050502 /nfs/dbraw/zinc/05/05/02/573050502.db2.gz SRPLGPXFPXMDJI-JZSSXWJLSA-N 1 3 182.311 1.358 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN[C@@H]1C[C@@H]1C1CC1 717081069 573050506 /nfs/dbraw/zinc/05/05/06/573050506.db2.gz SRPLGPXFPXMDJI-JZSSXWJLSA-N 1 3 182.311 1.358 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN[C@H]1C[C@@H]1C1CC1 717081073 573050719 /nfs/dbraw/zinc/05/07/19/573050719.db2.gz SRPLGPXFPXMDJI-MKHNBGRSSA-N 1 3 182.311 1.358 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 40717051 573050825 /nfs/dbraw/zinc/05/08/25/573050825.db2.gz BLHVYDMAKAKBMB-HBNTYKKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1C[NH2+]CCCN(CC2(C)CC2)C1 235697791 573050876 /nfs/dbraw/zinc/05/08/76/573050876.db2.gz UXQWNJSPBQWVSQ-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN[C@@H]1C[C@H]1C1CC1 717081079 573052203 /nfs/dbraw/zinc/05/22/03/573052203.db2.gz SRPLGPXFPXMDJI-YKDSUIRESA-N 1 3 182.311 1.358 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]C1CCC1 128494855 573052495 /nfs/dbraw/zinc/05/24/95/573052495.db2.gz ZNYBDQVWMZLMBB-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]C1CCC1 128495062 573052791 /nfs/dbraw/zinc/05/27/91/573052791.db2.gz ZNYBDQVWMZLMBB-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]1CC1(N)CC1 257937539 573053259 /nfs/dbraw/zinc/05/32/59/573053259.db2.gz HOTKCUVYBFAEGA-JTQLQIEISA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]1CC1(N)CC1 257937539 573053262 /nfs/dbraw/zinc/05/32/62/573053262.db2.gz HOTKCUVYBFAEGA-JTQLQIEISA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]CCC1CC1 128509035 573053804 /nfs/dbraw/zinc/05/38/04/573053804.db2.gz LNPBTMBXVRPSQM-LLVKDONJSA-N 1 3 184.327 1.751 10 0 ADAEHO [NH3+]C1CCC(N2CC[C@@H](F)C2)CC1 114037122 573054647 /nfs/dbraw/zinc/05/46/47/573054647.db2.gz XAGOJJLKHUDMBW-XNWIYYODSA-N 1 3 186.274 1.300 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]CCC1CC1 128508768 573055590 /nfs/dbraw/zinc/05/55/90/573055590.db2.gz LNPBTMBXVRPSQM-NSHDSACASA-N 1 3 184.327 1.751 10 0 ADAEHO C[C@@H]1CCCN1CC1([NH3+])CCC1 88051812 573056207 /nfs/dbraw/zinc/05/62/07/573056207.db2.gz QTKXRDOGWRQCFQ-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+][C@H]1C[C@H]1C1CC1 717081065 573056360 /nfs/dbraw/zinc/05/63/60/573056360.db2.gz SRPLGPXFPXMDJI-IFFSRLJSSA-N 1 3 182.311 1.358 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN[C@H]1C[C@H]1C1CC1 717081065 573056366 /nfs/dbraw/zinc/05/63/66/573056366.db2.gz SRPLGPXFPXMDJI-IFFSRLJSSA-N 1 3 182.311 1.358 10 0 ADAEHO C[N@@H+]1CCC[C@]2(CCN[C@@H]2CF)C1 257938697 573057040 /nfs/dbraw/zinc/05/70/40/573057040.db2.gz URBRSXHOMNDPNQ-ZJUUUORDSA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@@H]1CCN(CC2([NH3+])CCC2)C1 88051869 573056835 /nfs/dbraw/zinc/05/68/35/573056835.db2.gz BEGJLNNPGUDQGV-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@H+]1CCC[C@]2(CCN[C@@H]2CF)C1 257938697 573057049 /nfs/dbraw/zinc/05/70/49/573057049.db2.gz URBRSXHOMNDPNQ-ZJUUUORDSA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@H]1CCN(CC2([NH3+])CCC2)C1 88051870 573057057 /nfs/dbraw/zinc/05/70/57/573057057.db2.gz BEGJLNNPGUDQGV-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CCC[N@H+]1CC[C@H](CN)C1(C)C 259320749 573057311 /nfs/dbraw/zinc/05/73/11/573057311.db2.gz IKHYQGSYBNJOPY-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+]1CC[C@H](CN)C1(C)C 259320749 573057304 /nfs/dbraw/zinc/05/73/04/573057304.db2.gz IKHYQGSYBNJOPY-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO [NH3+]C1CCC(NCc2ccon2)CC1 88052508 573057552 /nfs/dbraw/zinc/05/75/52/573057552.db2.gz QPROEVSWNXBQKM-UHFFFAOYSA-N 1 3 195.266 1.034 10 0 ADAEHO CC1(C)C[C@H]1NCC1([NH3+])CCC1 88052054 573058533 /nfs/dbraw/zinc/05/85/33/573058533.db2.gz QSLPQJRPGQOEHM-MRVPVSSYSA-N 1 3 168.284 1.256 10 0 ADAEHO C[N@@H+]1CCC[C@@]2(CCN[C@@H]2CF)C1 257938693 573058591 /nfs/dbraw/zinc/05/85/91/573058591.db2.gz URBRSXHOMNDPNQ-NXEZZACHSA-N 1 3 186.274 1.030 10 0 ADAEHO C[N@H+]1CCC[C@@]2(CCN[C@@H]2CF)C1 257938693 573058593 /nfs/dbraw/zinc/05/85/93/573058593.db2.gz URBRSXHOMNDPNQ-NXEZZACHSA-N 1 3 186.274 1.030 10 0 ADAEHO CC1(C)C[C@@H]1NCC1([NH3+])CCC1 88052053 573059189 /nfs/dbraw/zinc/05/91/89/573059189.db2.gz QSLPQJRPGQOEHM-QMMMGPOBSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)([NH3+])CN1C[C@H]2CC[C@@H]1C2 49717018 573059309 /nfs/dbraw/zinc/05/93/09/573059309.db2.gz RUPZANPGFIGBFE-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+][C@H]1CCN([C@@H](C)C2CC2)C[C@@H]1C 49711015 573059431 /nfs/dbraw/zinc/05/94/31/573059431.db2.gz SJPZYQCAWICAJC-NHCYSSNCSA-N 1 3 196.338 1.715 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C[C@@H]1C 49711015 573059437 /nfs/dbraw/zinc/05/94/37/573059437.db2.gz SJPZYQCAWICAJC-NHCYSSNCSA-N 1 3 196.338 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)C2CC2)C[C@@H]1C 49711015 573059443 /nfs/dbraw/zinc/05/94/43/573059443.db2.gz SJPZYQCAWICAJC-NHCYSSNCSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[NH2+][C@@]1(C)CC[C@@H](N)C1(C)C 238263537 573060083 /nfs/dbraw/zinc/06/00/83/573060083.db2.gz WRYJQSCPIJXYAW-SCZZXKLOSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[NH2+][C@@]1(C)CC[C@H](N)C1(C)C 238263551 573060314 /nfs/dbraw/zinc/06/03/14/573060314.db2.gz WRYJQSCPIJXYAW-WPRPVWTQSA-N 1 3 170.300 1.502 10 0 ADAEHO NCC[C@H]1CCC[N@@H+]1CCC1CC1 308242224 573060456 /nfs/dbraw/zinc/06/04/56/573060456.db2.gz ZCIBXBOMBLJIQE-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO NCC[C@H]1CCC[N@H+]1CCC1CC1 308242224 573060464 /nfs/dbraw/zinc/06/04/64/573060464.db2.gz ZCIBXBOMBLJIQE-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)[C@@H](C)CN 259320860 573060831 /nfs/dbraw/zinc/06/08/31/573060831.db2.gz IRRHNCHYXWEZDT-IUCAKERBSA-N 1 3 158.289 1.215 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)[C@H](C)CN 259320853 573060876 /nfs/dbraw/zinc/06/08/76/573060876.db2.gz IRRHNCHYXWEZDT-BDAKNGLRSA-N 1 3 158.289 1.215 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1[C@@H](C)C1CC1 49711033 573061017 /nfs/dbraw/zinc/06/10/17/573061017.db2.gz IDPHWFFDOPQXAX-ATZCPNFKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1[C@@H](C)C1CC1 49711033 573061025 /nfs/dbraw/zinc/06/10/25/573061025.db2.gz IDPHWFFDOPQXAX-ATZCPNFKSA-N 1 3 182.311 1.597 10 0 ADAEHO C1C[NH2+][C@H](CCN[C@@H]2C[C@H]2C2CC2)C1 717091274 573061041 /nfs/dbraw/zinc/06/10/41/573061041.db2.gz KJLKKCILJOOKSY-SDDRHHMPSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@@H]([NH3+])CC(F)F 308242691 573061862 /nfs/dbraw/zinc/06/18/62/573061862.db2.gz ZNYTWXFFGOUQIY-GJMOJQLCSA-N 1 3 192.253 1.357 10 0 ADAEHO C1C[NH2+][C@H](CCN[C@@H]2C[C@@H]2C2CC2)C1 717091267 573061935 /nfs/dbraw/zinc/06/19/35/573061935.db2.gz KJLKKCILJOOKSY-QJPTWQEYSA-N 1 3 194.322 1.517 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)C(C)C 128543535 573061983 /nfs/dbraw/zinc/06/19/83/573061983.db2.gz PJUCEVUXOMQIOO-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO C[NH2+][C@H](CC(C)C)[C@H](C)CN 259320861 573062441 /nfs/dbraw/zinc/06/24/41/573062441.db2.gz IRRHNCHYXWEZDT-RKDXNWHRSA-N 1 3 158.289 1.215 10 0 ADAEHO C1C[NH2+][C@H](CCN[C@H]2C[C@@H]2C2CC2)C1 717091285 573062492 /nfs/dbraw/zinc/06/24/92/573062492.db2.gz KJLKKCILJOOKSY-TUAOUCFPSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H]1C[C@H]1NC[C@H]([NH3+])CC(F)F 308242689 573062776 /nfs/dbraw/zinc/06/27/76/573062776.db2.gz ZNYTWXFFGOUQIY-BWZBUEFSSA-N 1 3 192.253 1.357 10 0 ADAEHO C[NH2+][C@H](CC(C)C)[C@@H](C)CN 259320855 573063764 /nfs/dbraw/zinc/06/37/64/573063764.db2.gz IRRHNCHYXWEZDT-DTWKUNHWSA-N 1 3 158.289 1.215 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](CN)C1(C)C 259320754 573064006 /nfs/dbraw/zinc/06/40/06/573064006.db2.gz IKHYQGSYBNJOPY-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+]1CC[C@@H](CN)C1(C)C 259320754 573064012 /nfs/dbraw/zinc/06/40/12/573064012.db2.gz IKHYQGSYBNJOPY-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]([NH3+])CC(F)F 308242692 573064974 /nfs/dbraw/zinc/06/49/74/573064974.db2.gz ZNYTWXFFGOUQIY-PRJMDXOYSA-N 1 3 192.253 1.357 10 0 ADAEHO CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238265551 573064978 /nfs/dbraw/zinc/06/49/78/573064978.db2.gz PMDGHGBMCAXGOL-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238265551 573064972 /nfs/dbraw/zinc/06/49/72/573064972.db2.gz PMDGHGBMCAXGOL-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO C1C[NH2+][C@H](CCN[C@H]2C[C@H]2C2CC2)C1 717091279 573064297 /nfs/dbraw/zinc/06/42/97/573064297.db2.gz KJLKKCILJOOKSY-SRVKXCTJSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[N@@H+]1CCC[C@@H](C2(N)CC2)C1 257939597 573064884 /nfs/dbraw/zinc/06/48/84/573064884.db2.gz HTPJBXXWHXIZHN-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@H+]1CCC[C@@H](C2(N)CC2)C1 257939597 573064888 /nfs/dbraw/zinc/06/48/88/573064888.db2.gz HTPJBXXWHXIZHN-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CCC[C@@H](C2([NH3+])CC2)C1 257939597 573064892 /nfs/dbraw/zinc/06/48/92/573064892.db2.gz HTPJBXXWHXIZHN-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CC[C@H]2C[C@H]21)CN(C)C 308494934 573065543 /nfs/dbraw/zinc/06/55/43/573065543.db2.gz BLMCCYNQZNIDTJ-WRWGMCAJSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)[NH2+]CCCN1C[C@H]2CC[C@@H]1C2 49716585 573065729 /nfs/dbraw/zinc/06/57/29/573065729.db2.gz WZBITGPKSZPKSF-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)CC 128551316 573065764 /nfs/dbraw/zinc/06/57/64/573065764.db2.gz PUDVWTPCFKLFPQ-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CN[C@H](c1cc[nH]c1)C1(C[NH3+])CCC1 259321290 573066007 /nfs/dbraw/zinc/06/60/07/573066007.db2.gz JRKMMHUTBYZCLQ-SNVBAGLBSA-N 1 3 193.294 1.404 10 0 ADAEHO C[NH2+][C@H](c1cc[nH]c1)C1(CN)CCC1 259321290 573066013 /nfs/dbraw/zinc/06/60/13/573066013.db2.gz JRKMMHUTBYZCLQ-SNVBAGLBSA-N 1 3 193.294 1.404 10 0 ADAEHO CC1(C)C[NH2+]CCN1c1ccncc1 82475379 573066343 /nfs/dbraw/zinc/06/63/43/573066343.db2.gz AFPMRQIIYMDFRD-UHFFFAOYSA-N 1 3 191.278 1.270 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21)CN(C)C 308494933 573066637 /nfs/dbraw/zinc/06/66/37/573066637.db2.gz BLMCCYNQZNIDTJ-WISYIIOYSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238265541 573066778 /nfs/dbraw/zinc/06/67/78/573066778.db2.gz PMDGHGBMCAXGOL-KKOKHZNYSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238265541 573066788 /nfs/dbraw/zinc/06/67/88/573066788.db2.gz PMDGHGBMCAXGOL-KKOKHZNYSA-N 1 3 196.338 1.987 10 0 ADAEHO CN[C@@H](c1cc[nH]c1)C1(C[NH3+])CCC1 259321285 573067587 /nfs/dbraw/zinc/06/75/87/573067587.db2.gz JRKMMHUTBYZCLQ-JTQLQIEISA-N 1 3 193.294 1.404 10 0 ADAEHO C[NH2+][C@@H](c1cc[nH]c1)C1(CN)CCC1 259321285 573067591 /nfs/dbraw/zinc/06/75/91/573067591.db2.gz JRKMMHUTBYZCLQ-JTQLQIEISA-N 1 3 193.294 1.404 10 0 ADAEHO CC[C@@H](C[C@H]1CCCC[NH2+]1)N(C)C 259321560 573067797 /nfs/dbraw/zinc/06/77/97/573067797.db2.gz DQAZJTYOHXOLIH-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(CC)C1CC1 128551804 573067930 /nfs/dbraw/zinc/06/79/30/573067930.db2.gz YUGZEIPOHOCGDH-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CNCCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 131890254 573068266 /nfs/dbraw/zinc/06/82/66/573068266.db2.gz CWSZDSXOGLOIFM-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]CCCN1CC[C@@H](C)[C@@H](C)C1 131890254 573068253 /nfs/dbraw/zinc/06/82/53/573068253.db2.gz CWSZDSXOGLOIFM-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO CNCCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 131890254 573068261 /nfs/dbraw/zinc/06/82/61/573068261.db2.gz CWSZDSXOGLOIFM-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)CC 128551102 573068624 /nfs/dbraw/zinc/06/86/24/573068624.db2.gz PUDVWTPCFKLFPQ-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC[N@@H+]1CCC[C@H](C2(N)CC2)C1 257939599 573069418 /nfs/dbraw/zinc/06/94/18/573069418.db2.gz HTPJBXXWHXIZHN-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@H+]1CCC[C@H](C2(N)CC2)C1 257939599 573069432 /nfs/dbraw/zinc/06/94/32/573069432.db2.gz HTPJBXXWHXIZHN-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CCC[C@H](C2([NH3+])CC2)C1 257939599 573069439 /nfs/dbraw/zinc/06/94/39/573069439.db2.gz HTPJBXXWHXIZHN-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H](C)CC1 82488903 573069572 /nfs/dbraw/zinc/06/95/72/573069572.db2.gz QOEYHBXLGLFJCQ-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H](C)CC1 82488903 573069577 /nfs/dbraw/zinc/06/95/77/573069577.db2.gz QOEYHBXLGLFJCQ-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)CCC 128555501 573069590 /nfs/dbraw/zinc/06/95/90/573069590.db2.gz NTVOXTLOHVURFV-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[NH2+]CCCN1C[C@H]2CC[C@@H]1C2 49716590 573069849 /nfs/dbraw/zinc/06/98/49/573069849.db2.gz BVCIJAXNUWVLSC-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238268115 573070257 /nfs/dbraw/zinc/07/02/57/573070257.db2.gz OZFBTYWYRNXTQO-XWLWVQCSSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238268115 573070264 /nfs/dbraw/zinc/07/02/64/573070264.db2.gz OZFBTYWYRNXTQO-XWLWVQCSSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@@H](C[C@@H]1CCCC[NH2+]1)N(C)C 259321565 573070272 /nfs/dbraw/zinc/07/02/72/573070272.db2.gz DQAZJTYOHXOLIH-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)C1CC1 128552061 573070530 /nfs/dbraw/zinc/07/05/30/573070530.db2.gz YFQSSWJUIZRKDA-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[NH2+]CCCN1C[C@H]2CC[C@@H]1C2 49716588 573070472 /nfs/dbraw/zinc/07/04/72/573070472.db2.gz AZYOVTVOXYWTKK-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CNCCC[N@@H+]1C[C@H]2CC[C@@H]1C2 49716588 573070480 /nfs/dbraw/zinc/07/04/80/573070480.db2.gz AZYOVTVOXYWTKK-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CNCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49716588 573070486 /nfs/dbraw/zinc/07/04/86/573070486.db2.gz AZYOVTVOXYWTKK-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238268125 573070933 /nfs/dbraw/zinc/07/09/33/573070933.db2.gz OZFBTYWYRNXTQO-MMWGEVLESA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238268125 573070938 /nfs/dbraw/zinc/07/09/38/573070938.db2.gz OZFBTYWYRNXTQO-MMWGEVLESA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@H](C[C@@H]1CCCC[NH2+]1)N(C)C 259321567 573071288 /nfs/dbraw/zinc/07/12/88/573071288.db2.gz DQAZJTYOHXOLIH-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C[C@H]1CCCC[NH2+]1)N(C)C 259321558 573071299 /nfs/dbraw/zinc/07/12/99/573071299.db2.gz DQAZJTYOHXOLIH-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO c1cc(NCC[C@H]2CC[NH2+]C2)ccn1 82487613 573071508 /nfs/dbraw/zinc/07/15/08/573071508.db2.gz FKWNNYDFECHRSA-SNVBAGLBSA-N 1 3 191.278 1.493 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H](C)CC1 82488895 573071854 /nfs/dbraw/zinc/07/18/54/573071854.db2.gz XDWCNLOZJNSWKY-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H](C)CC1 82488895 573071859 /nfs/dbraw/zinc/07/18/59/573071859.db2.gz XDWCNLOZJNSWKY-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CCNC1=NC/C(=C\C[NH+](C)C)S1 238267601 573072470 /nfs/dbraw/zinc/07/24/70/573072470.db2.gz BAHAWVRMGQXXIK-VMPITWQZSA-N 1 3 199.323 1.144 10 0 ADAEHO C[C@H]1CCC[N@@H+](C[C@@H](C)CN)CC1 82488897 573074585 /nfs/dbraw/zinc/07/45/85/573074585.db2.gz XDWCNLOZJNSWKY-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1CCC[N@H+](C[C@@H](C)CN)CC1 82488897 573074591 /nfs/dbraw/zinc/07/45/91/573074591.db2.gz XDWCNLOZJNSWKY-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO c1cc(NCC[C@@H]2CC[NH2+]C2)ccn1 82487611 573074842 /nfs/dbraw/zinc/07/48/42/573074842.db2.gz FKWNNYDFECHRSA-JTQLQIEISA-N 1 3 191.278 1.493 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)CC1CC1 128572462 573074855 /nfs/dbraw/zinc/07/48/55/573074855.db2.gz AROUNQABCOKTNQ-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@@H+]1CCC[C@@H](C)CC1 82496680 573076499 /nfs/dbraw/zinc/07/64/99/573076499.db2.gz GEYSFXSBHWMPPY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@H+]1CCC[C@@H](C)CC1 82496680 573076504 /nfs/dbraw/zinc/07/65/04/573076504.db2.gz GEYSFXSBHWMPPY-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCNCCc1ccccc1 78285482 573076542 /nfs/dbraw/zinc/07/65/42/573076542.db2.gz QIUUMDUFFIHHFL-LLVKDONJSA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@@H](N)CC[NH2+]CCc1ccccc1 78285482 573076548 /nfs/dbraw/zinc/07/65/48/573076548.db2.gz QIUUMDUFFIHHFL-LLVKDONJSA-N 1 3 192.306 1.556 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)CC1CC1 128572645 573077501 /nfs/dbraw/zinc/07/75/01/573077501.db2.gz AROUNQABCOKTNQ-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([NH3+])CCNCCc1ccccc1 78285480 573077643 /nfs/dbraw/zinc/07/76/43/573077643.db2.gz QIUUMDUFFIHHFL-NSHDSACASA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@H](N)CC[NH2+]CCc1ccccc1 78285480 573077648 /nfs/dbraw/zinc/07/76/48/573077648.db2.gz QIUUMDUFFIHHFL-NSHDSACASA-N 1 3 192.306 1.556 10 0 ADAEHO CN(c1ccncc1)[C@H]1CCC[NH2+]C1 82500015 573078010 /nfs/dbraw/zinc/07/80/10/573078010.db2.gz NHTIISPGTDJACN-NSHDSACASA-N 1 3 191.278 1.270 10 0 ADAEHO CCC[NH2+]CC[C@@H]1CCCCN1C 49773139 573078546 /nfs/dbraw/zinc/07/85/46/573078546.db2.gz XOUZHHODQDCQJW-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC(C)(C)[C@H]([NH3+])C1(CN)CC1 259323547 573078639 /nfs/dbraw/zinc/07/86/39/573078639.db2.gz IUTUCEWZAPODHH-ZETCQYMHSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)[NH2+]C1(C)CCNCC1 114484346 573078735 /nfs/dbraw/zinc/07/87/35/573078735.db2.gz JKPONTPVDQWUIM-UHFFFAOYSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@@H]([NH3+])CCN[C@@H]1CC1(C)C 128617794 573079342 /nfs/dbraw/zinc/07/93/42/573079342.db2.gz QFHNFEFSMOOPLL-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)(C)[C@@H]([NH3+])C1(CN)CC1 259323543 573079231 /nfs/dbraw/zinc/07/92/31/573079231.db2.gz IUTUCEWZAPODHH-SSDOTTSWSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@@H]1C[NH2+]CCCCN1C 238269342 573079251 /nfs/dbraw/zinc/07/92/51/573079251.db2.gz PVKZHWUJFGPEKK-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H]1CNCCCC[N@@H+]1C 238269342 573079256 /nfs/dbraw/zinc/07/92/56/573079256.db2.gz PVKZHWUJFGPEKK-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H]1CNCCCC[N@H+]1C 238269342 573079260 /nfs/dbraw/zinc/07/92/60/573079260.db2.gz PVKZHWUJFGPEKK-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[C@@H](N)CC[NH2+][C@@H]1CC1(C)C 128617794 573079351 /nfs/dbraw/zinc/07/93/51/573079351.db2.gz QFHNFEFSMOOPLL-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@@H+](C(C)(C)C)C1 114472511 573079673 /nfs/dbraw/zinc/07/96/73/573079673.db2.gz IAGMHJKHFYFEOW-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@H+](C(C)(C)C)C1 114472511 573079680 /nfs/dbraw/zinc/07/96/80/573079680.db2.gz IAGMHJKHFYFEOW-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]([C@H]1CCC[NH2+]C1)N1CC=CC1 114457057 573079899 /nfs/dbraw/zinc/07/98/99/573079899.db2.gz QNSHQTTZFNNOCU-QWRGUYRKSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@@H]([C@H]1CCCNC1)[NH+]1CC=CC1 114457057 573079902 /nfs/dbraw/zinc/07/99/02/573079902.db2.gz QNSHQTTZFNNOCU-QWRGUYRKSA-N 1 3 180.295 1.246 10 0 ADAEHO CC[C@@H](C)[C@@H]([NH3+])CNC1CC(C)C1 123579313 573079961 /nfs/dbraw/zinc/07/99/61/573079961.db2.gz DOQFJHDBJKEQOQ-DJRKXVOMSA-N 1 3 184.327 1.748 10 0 ADAEHO [NH3+]Cc1ccccc1CN1CC=CC1 114457080 573081634 /nfs/dbraw/zinc/08/16/34/573081634.db2.gz WEXLARHQDQALHN-UHFFFAOYSA-N 1 3 188.274 1.517 10 0 ADAEHO C[C@H]1CCC[N@@H+](CC[C@@H](C)N)CC1 82496681 573081777 /nfs/dbraw/zinc/08/17/77/573081777.db2.gz GEYSFXSBHWMPPY-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCC[N@H+](CC[C@@H](C)N)CC1 82496681 573081784 /nfs/dbraw/zinc/08/17/84/573081784.db2.gz GEYSFXSBHWMPPY-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](N)CC[NH2+]C1CCC1 128626357 573082001 /nfs/dbraw/zinc/08/20/01/573082001.db2.gz XDZDJCAEQHVXQT-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@H]([NH3+])CCNC1CCC1 128626357 573082004 /nfs/dbraw/zinc/08/20/04/573082004.db2.gz XDZDJCAEQHVXQT-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO CN(c1ccncc1)[C@@H]1CCC[NH2+]C1 82500013 573082124 /nfs/dbraw/zinc/08/21/24/573082124.db2.gz NHTIISPGTDJACN-LLVKDONJSA-N 1 3 191.278 1.270 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+](C(C)(C)C)C1 114472514 573082149 /nfs/dbraw/zinc/08/21/49/573082149.db2.gz IAGMHJKHFYFEOW-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+](C(C)(C)C)C1 114472514 573082156 /nfs/dbraw/zinc/08/21/56/573082156.db2.gz IAGMHJKHFYFEOW-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@H]([NH3+])CCN[C@@H]1CC1(C)C 128617546 573082325 /nfs/dbraw/zinc/08/23/25/573082325.db2.gz QFHNFEFSMOOPLL-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@H](N)CC[NH2+][C@@H]1CC1(C)C 128617546 573082332 /nfs/dbraw/zinc/08/23/32/573082332.db2.gz QFHNFEFSMOOPLL-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H]([NH3+])CCN[C@H]1CC1(C)C 128618216 573082550 /nfs/dbraw/zinc/08/25/50/573082550.db2.gz QFHNFEFSMOOPLL-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H](N)CC[NH2+][C@H]1CC1(C)C 128618216 573082552 /nfs/dbraw/zinc/08/25/52/573082552.db2.gz QFHNFEFSMOOPLL-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CCN/C=C/C=C/[NH2+]CC 104620401 573082553 /nfs/dbraw/zinc/08/25/53/573082553.db2.gz GGIVOVKFICBZJC-KQQUZDAGSA-N 1 3 140.230 1.233 10 0 ADAEHO N[C@H]1CCCCC[C@H]1[NH+]1CC=CC1 114457111 573082671 /nfs/dbraw/zinc/08/26/71/573082671.db2.gz YPLZMGBPIXYDBU-WDEREUQCSA-N 1 3 180.295 1.518 10 0 ADAEHO C1=CC[NH+]([C@H]2CCNC3(CCC3)C2)C1 114456987 573082976 /nfs/dbraw/zinc/08/29/76/573082976.db2.gz PAPCUSYGDJVXSE-NSHDSACASA-N 1 3 192.306 1.533 10 0 ADAEHO C1=CC[NH+]([C@@H]2CCNC3(CCC3)C2)C1 114456985 573083072 /nfs/dbraw/zinc/08/30/72/573083072.db2.gz PAPCUSYGDJVXSE-LLVKDONJSA-N 1 3 192.306 1.533 10 0 ADAEHO N[C@@H]1CCCC[C@H]1[NH+]1CC=CC1 114457026 573083637 /nfs/dbraw/zinc/08/36/37/573083637.db2.gz IFWDQWJVFHABKJ-NXEZZACHSA-N 1 3 166.268 1.128 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1[NH+]1CC=CC1 114457023 573083186 /nfs/dbraw/zinc/08/31/86/573083186.db2.gz IFWDQWJVFHABKJ-ZJUUUORDSA-N 1 3 166.268 1.128 10 0 ADAEHO C[C@H]([C@H]1CCC[NH2+]C1)N1CC=CC1 114457059 573083284 /nfs/dbraw/zinc/08/32/84/573083284.db2.gz QNSHQTTZFNNOCU-MNOVXSKESA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@H]([C@H]1CCCNC1)[NH+]1CC=CC1 114457059 573083289 /nfs/dbraw/zinc/08/32/89/573083289.db2.gz QNSHQTTZFNNOCU-MNOVXSKESA-N 1 3 180.295 1.246 10 0 ADAEHO N[C@H]1CCCC[C@@H]1[NH+]1CC=CC1 114457027 573083360 /nfs/dbraw/zinc/08/33/60/573083360.db2.gz IFWDQWJVFHABKJ-UWVGGRQHSA-N 1 3 166.268 1.128 10 0 ADAEHO N[C@H]1CCCC[C@H]1[NH+]1CC=CC1 114457029 573083416 /nfs/dbraw/zinc/08/34/16/573083416.db2.gz IFWDQWJVFHABKJ-VHSXEESVSA-N 1 3 166.268 1.128 10 0 ADAEHO N[C@@H]1CCCCC[C@H]1[NH+]1CC=CC1 114457112 573084331 /nfs/dbraw/zinc/08/43/31/573084331.db2.gz YPLZMGBPIXYDBU-GHMZBOCLSA-N 1 3 180.295 1.518 10 0 ADAEHO CCC[NH2+]CC[C@H]1CCCCN1C 49773141 573084449 /nfs/dbraw/zinc/08/44/49/573084449.db2.gz XOUZHHODQDCQJW-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO N[C@H]1CCCCC[C@@H]1[NH+]1CC=CC1 114457114 573085271 /nfs/dbraw/zinc/08/52/71/573085271.db2.gz YPLZMGBPIXYDBU-QWRGUYRKSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CC=CC1 114457054 573084548 /nfs/dbraw/zinc/08/45/48/573084548.db2.gz QNSHQTTZFNNOCU-WDEREUQCSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[NH+]1CC=CC1 114457054 573084556 /nfs/dbraw/zinc/08/45/56/573084556.db2.gz QNSHQTTZFNNOCU-WDEREUQCSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@H]([C@@H]1CCC[NH2+]C1)N1CC=CC1 114457055 573084786 /nfs/dbraw/zinc/08/47/86/573084786.db2.gz QNSHQTTZFNNOCU-GHMZBOCLSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@H]([C@@H]1CCCNC1)[NH+]1CC=CC1 114457055 573084794 /nfs/dbraw/zinc/08/47/94/573084794.db2.gz QNSHQTTZFNNOCU-GHMZBOCLSA-N 1 3 180.295 1.246 10 0 ADAEHO CCC[C@@H]1C[NH2+]CC[C@@H]1N(C)C 238272506 573085432 /nfs/dbraw/zinc/08/54/32/573085432.db2.gz AUUKQMODWKIOKR-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@@H]1CNCC[C@@H]1[NH+](C)C 238272506 573085436 /nfs/dbraw/zinc/08/54/36/573085436.db2.gz AUUKQMODWKIOKR-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@H](CC[C@H](C)[NH3+])c1ccc(C)o1 259324458 573086549 /nfs/dbraw/zinc/08/65/49/573086549.db2.gz JUGCDZHNXLZRJA-WCBMZHEXSA-N 1 3 196.294 1.976 10 0 ADAEHO CCN(C)CC[C@H]1CSCC[NH2+]1 85615246 573086598 /nfs/dbraw/zinc/08/65/98/573086598.db2.gz OVBFIMWNWNTYCI-VIFPVBQESA-N 1 3 188.340 1.033 10 0 ADAEHO CN(C)C[C@@H]1Cc2ccccc2[C@@H]1[NH3+] 114583090 573086783 /nfs/dbraw/zinc/08/67/83/573086783.db2.gz UQAFIRKULPMKKX-CMPLNLGQSA-N 1 3 190.290 1.420 10 0 ADAEHO CCC[C@@H]1C[NH2+]CC[C@H]1N(C)C 238272576 573086834 /nfs/dbraw/zinc/08/68/34/573086834.db2.gz AUUKQMODWKIOKR-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@@H]1CNCC[C@H]1[NH+](C)C 238272576 573086838 /nfs/dbraw/zinc/08/68/38/573086838.db2.gz AUUKQMODWKIOKR-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO NC[C@H](C[NH2+]C1CCC1)C1CCCC1 258475405 573086936 /nfs/dbraw/zinc/08/69/36/573086936.db2.gz YMVFINLGCKJXSG-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO C1NC2(C[NH2+][C@@H]3C[C@@H]3C3CC3)CC1C2 717108388 573087782 /nfs/dbraw/zinc/08/77/82/573087782.db2.gz JULWRXUORRAPKQ-VPBXJWFSSA-N 1 3 192.306 1.127 10 0 ADAEHO CCC[C@@H](N)CC[NH2+]C1CCC1 128626549 573088631 /nfs/dbraw/zinc/08/86/31/573088631.db2.gz XDZDJCAEQHVXQT-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@@H]([NH3+])CCNC1CCC1 128626549 573088635 /nfs/dbraw/zinc/08/86/35/573088635.db2.gz XDZDJCAEQHVXQT-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO C1NC2(C[NH2+][C@@H]3C[C@H]3C3CC3)CC1C2 717108385 573088845 /nfs/dbraw/zinc/08/88/45/573088845.db2.gz JULWRXUORRAPKQ-VDCJWDENSA-N 1 3 192.306 1.127 10 0 ADAEHO CN[C@@H](CC[C@@H](C)[NH3+])c1ccc(C)o1 259324457 573089034 /nfs/dbraw/zinc/08/90/34/573089034.db2.gz JUGCDZHNXLZRJA-SCZZXKLOSA-N 1 3 196.294 1.976 10 0 ADAEHO CCN1C[C@]2(C)CCC[NH2+][C@@H]2C[C@@H]1C 238273023 573089156 /nfs/dbraw/zinc/08/91/56/573089156.db2.gz OMNCKJRQIWRNJB-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+]1C[C@]2(C)CCCN[C@@H]2C[C@@H]1C 238273023 573089161 /nfs/dbraw/zinc/08/91/61/573089161.db2.gz OMNCKJRQIWRNJB-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+]1C[C@]2(C)CCCN[C@@H]2C[C@@H]1C 238273023 573089166 /nfs/dbraw/zinc/08/91/66/573089166.db2.gz OMNCKJRQIWRNJB-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO NC[C@@H](C[NH2+]C1CCC1)C1CCCC1 258475407 573089855 /nfs/dbraw/zinc/08/98/55/573089855.db2.gz YMVFINLGCKJXSG-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@H](N)c1cnc([C@H]2CC[NH2+]C2)s1 258234007 573090567 /nfs/dbraw/zinc/09/05/67/573090567.db2.gz VTLWOCWLKQRJKV-BQBZGAKWSA-N 1 3 197.307 1.240 10 0 ADAEHO CCOCCN(CC)[C@H](C)CC[NH3+] 82536689 573090639 /nfs/dbraw/zinc/09/06/39/573090639.db2.gz VJBREPYOWGHQDO-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@]1(C)C1CCCC1 107187088 573090702 /nfs/dbraw/zinc/09/07/02/573090702.db2.gz IZWWBYSNVHCJJL-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@]1(C)C1CCCC1 107187088 573090705 /nfs/dbraw/zinc/09/07/05/573090705.db2.gz IZWWBYSNVHCJJL-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCOCCN(CC)[C@@H](C)CC[NH3+] 82536687 573090733 /nfs/dbraw/zinc/09/07/33/573090733.db2.gz VJBREPYOWGHQDO-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCC[C@@H](C[C@H](C)N)[NH2+]C 224986307 573090749 /nfs/dbraw/zinc/09/07/49/573090749.db2.gz PAPHPFOXJGSMBI-YUMQZZPRSA-N 1 3 144.262 1.112 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@]1(C)C1CCCCC1 107187110 573090843 /nfs/dbraw/zinc/09/08/43/573090843.db2.gz CZQLBJZXFXCRNA-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@H](CC[C@@H](C)[NH3+])c1ccc(C)o1 259324456 573090880 /nfs/dbraw/zinc/09/08/80/573090880.db2.gz JUGCDZHNXLZRJA-PSASIEDQSA-N 1 3 196.294 1.976 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@]1(C)C1CCCC1 107187085 573091617 /nfs/dbraw/zinc/09/16/17/573091617.db2.gz IZWWBYSNVHCJJL-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@]1(C)C1CCCC1 107187085 573091624 /nfs/dbraw/zinc/09/16/24/573091624.db2.gz IZWWBYSNVHCJJL-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)c1cnc([C@H]2CC[NH2+]C2)s1 258234018 573091702 /nfs/dbraw/zinc/09/17/02/573091702.db2.gz VTLWOCWLKQRJKV-RQJHMYQMSA-N 1 3 197.307 1.240 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@]1(C)C1CCCCC1 107187107 573091814 /nfs/dbraw/zinc/09/18/14/573091814.db2.gz CZQLBJZXFXCRNA-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CC[C@@H](N)C1 223182506 573092983 /nfs/dbraw/zinc/09/29/83/573092983.db2.gz JCDMIDHZVPXZGH-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CC[C@@H](N)C1 223182506 573092990 /nfs/dbraw/zinc/09/29/90/573092990.db2.gz JCDMIDHZVPXZGH-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)c1cnc([C@@H]2CC[NH2+]C2)s1 258234015 573093499 /nfs/dbraw/zinc/09/34/99/573093499.db2.gz VTLWOCWLKQRJKV-RNFRBKRXSA-N 1 3 197.307 1.240 10 0 ADAEHO CCOCCN(CC)CC[C@@H](C)[NH3+] 82537045 573093737 /nfs/dbraw/zinc/09/37/37/573093737.db2.gz WBAYJKXFBBKDAV-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CN1CC[C@@](F)(C(C)(C)C[NH3+])C1 257943286 573094362 /nfs/dbraw/zinc/09/43/62/573094362.db2.gz VGIOBECWAILZNA-VIFPVBQESA-N 1 3 174.263 1.015 10 0 ADAEHO CCC[N@H+]1CCC[C@H](CN)C1(C)C 259327116 573096109 /nfs/dbraw/zinc/09/61/09/573096109.db2.gz IOXVUWCIYHACGJ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+]1CCC[C@@H](CN)C1(C)C 259327113 573095459 /nfs/dbraw/zinc/09/54/59/573095459.db2.gz IOXVUWCIYHACGJ-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+]1CCC[C@@H](CN)C1(C)C 259327113 573095466 /nfs/dbraw/zinc/09/54/66/573095466.db2.gz IOXVUWCIYHACGJ-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC1(C)CCN[C@@H]2CCC[C@@H]2[NH2+]1 114609324 573096837 /nfs/dbraw/zinc/09/68/37/573096837.db2.gz MEOJRTCKYIFBLY-BDAKNGLRSA-N 1 3 168.284 1.269 10 0 ADAEHO CCC[N@@H+]1CCC[C@H](CN)C1(C)C 259327116 573096104 /nfs/dbraw/zinc/09/61/04/573096104.db2.gz IOXVUWCIYHACGJ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC1(C)CC[NH2+][C@@H]2CCC[C@@H]2N1 114609324 573096840 /nfs/dbraw/zinc/09/68/40/573096840.db2.gz MEOJRTCKYIFBLY-BDAKNGLRSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H](CNC(=[NH2+])C1CC1)CN(C)C 308255904 573096855 /nfs/dbraw/zinc/09/68/55/573096855.db2.gz JGLPVHPZIPTNQL-MRVPVSSYSA-N 1 3 183.299 1.161 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)C1CCCC1 82560367 573097288 /nfs/dbraw/zinc/09/72/88/573097288.db2.gz ASAYSVYEJXIEFN-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H]1[NH2+]CCN[C@H](C)[C@@H]1C 238277442 573097516 /nfs/dbraw/zinc/09/75/16/573097516.db2.gz KGPRKQQURGHWBX-AEJSXWLSSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC[C@@H]1NCC[NH2+][C@H](C)[C@@H]1C 238277442 573097520 /nfs/dbraw/zinc/09/75/20/573097520.db2.gz KGPRKQQURGHWBX-AEJSXWLSSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H](CNC(=[NH2+])C1CC1)CN(C)C 308255905 573097794 /nfs/dbraw/zinc/09/77/94/573097794.db2.gz JGLPVHPZIPTNQL-QMMMGPOBSA-N 1 3 183.299 1.161 10 0 ADAEHO CC[C@@H]1NC[C@@H]2CCC[N@@H+]2[C@@H](C)[C@@H]1C 238277242 573097902 /nfs/dbraw/zinc/09/79/02/573097902.db2.gz CJFZYAGGBWFTDE-BJDJZHNGSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1NC[C@@H]2CCC[N@H+]2[C@@H](C)[C@@H]1C 238277242 573097907 /nfs/dbraw/zinc/09/79/07/573097907.db2.gz CJFZYAGGBWFTDE-BJDJZHNGSA-N 1 3 196.338 1.857 10 0 ADAEHO CCC[C@@H]1[NH2+]CCN[C@@H](C)[C@@H]1C 238277424 573098121 /nfs/dbraw/zinc/09/81/21/573098121.db2.gz KGPRKQQURGHWBX-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC[C@@H]1NCC[NH2+][C@@H](C)[C@@H]1C 238277424 573098129 /nfs/dbraw/zinc/09/81/29/573098129.db2.gz KGPRKQQURGHWBX-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN(C)C1CCCC1 82560365 573098303 /nfs/dbraw/zinc/09/83/03/573098303.db2.gz ASAYSVYEJXIEFN-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CCN[C@H]2CCC[C@@H]2[NH2+]1 114609328 573098580 /nfs/dbraw/zinc/09/85/80/573098580.db2.gz MEOJRTCKYIFBLY-IUCAKERBSA-N 1 3 168.284 1.269 10 0 ADAEHO CC1(C)CC[NH2+][C@H]2CCC[C@@H]2N1 114609328 573098587 /nfs/dbraw/zinc/09/85/87/573098587.db2.gz MEOJRTCKYIFBLY-IUCAKERBSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CNC(C)(C)C 82560515 573098684 /nfs/dbraw/zinc/09/86/84/573098684.db2.gz UOHATNJFEGLSBQ-IUCAKERBSA-N 1 3 170.300 1.230 10 0 ADAEHO CC1(C)CCN[C@H]2CCC[C@H]2[NH2+]1 114609326 573099241 /nfs/dbraw/zinc/09/92/41/573099241.db2.gz MEOJRTCKYIFBLY-DTWKUNHWSA-N 1 3 168.284 1.269 10 0 ADAEHO CC1(C)CC[NH2+][C@H]2CCC[C@H]2N1 114609326 573099246 /nfs/dbraw/zinc/09/92/46/573099246.db2.gz MEOJRTCKYIFBLY-DTWKUNHWSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CNC(C)(C)C 82560512 573099512 /nfs/dbraw/zinc/09/95/12/573099512.db2.gz UOHATNJFEGLSBQ-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO CN(C)Cc1cccc(/C=C/C[NH3+])c1 257943604 573099543 /nfs/dbraw/zinc/09/95/43/573099543.db2.gz ABMMPANDZAHCEZ-QPJJXVBHSA-N 1 3 190.290 1.720 10 0 ADAEHO C[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@@H]2C)C1 82560576 573099702 /nfs/dbraw/zinc/09/97/02/573099702.db2.gz XHLQFFYAZLVRJW-VWYCJHECSA-N 1 3 182.311 1.184 10 0 ADAEHO CC1(C)CCN[C@@H]2CCC[C@H]2[NH2+]1 114609330 573099938 /nfs/dbraw/zinc/09/99/38/573099938.db2.gz MEOJRTCKYIFBLY-RKDXNWHRSA-N 1 3 168.284 1.269 10 0 ADAEHO CC1(C)CC[NH2+][C@@H]2CCC[C@H]2N1 114609330 573099944 /nfs/dbraw/zinc/09/99/44/573099944.db2.gz MEOJRTCKYIFBLY-RKDXNWHRSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC1(C)C 82560796 573100382 /nfs/dbraw/zinc/10/03/82/573100382.db2.gz IIBWWXQALKNWOY-KXUCPTDWSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CNC(C)(C)C 82560514 573100463 /nfs/dbraw/zinc/10/04/63/573100463.db2.gz UOHATNJFEGLSBQ-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO NC[C@@H]1CCCC[C@H]1[NH+]1CC=CC1 114685843 573100976 /nfs/dbraw/zinc/10/09/76/573100976.db2.gz KTMMKVDITPTALL-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CNC(C)(C)C 82560513 573101074 /nfs/dbraw/zinc/10/10/74/573101074.db2.gz UOHATNJFEGLSBQ-DTWKUNHWSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H](CN)C[NH2+]CCc1ccsc1 308257183 573101397 /nfs/dbraw/zinc/10/13/97/573101397.db2.gz KGIBFQSEDULHKF-VIFPVBQESA-N 1 3 198.335 1.475 10 0 ADAEHO C[C@@H](C[NH3+])CNCCc1ccsc1 308257183 573101401 /nfs/dbraw/zinc/10/14/01/573101401.db2.gz KGIBFQSEDULHKF-VIFPVBQESA-N 1 3 198.335 1.475 10 0 ADAEHO CC[C@@](C)([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308502070 573101427 /nfs/dbraw/zinc/10/14/27/573101427.db2.gz HBHPVZUBXUJUNZ-NOOOWODRSA-N 1 3 196.338 1.892 10 0 ADAEHO CC([C@H]1CCCCN1)[C@H]1CCCC[NH2+]1 114650765 573101653 /nfs/dbraw/zinc/10/16/53/573101653.db2.gz WNSAKRZUFNBORV-VXGBXAGGSA-N 1 3 196.338 1.907 10 0 ADAEHO NC[C@@H]1CCCC[C@@H]1[NH+]1CC=CC1 114685840 573101955 /nfs/dbraw/zinc/10/19/55/573101955.db2.gz KTMMKVDITPTALL-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO CC[C@@H]([NH3+])C(N)(CC)CC 104638007 573101969 /nfs/dbraw/zinc/10/19/69/573101969.db2.gz GRPQIEHRGUMHPJ-SSDOTTSWSA-N 1 3 144.262 1.241 10 0 ADAEHO CC[C@@H]([NH3+])c1ccc(CN)c(F)c1 238278651 573101973 /nfs/dbraw/zinc/10/19/73/573101973.db2.gz LZWMCSFZABHUTC-SNVBAGLBSA-N 1 3 182.242 1.694 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 131900024 573102804 /nfs/dbraw/zinc/10/28/04/573102804.db2.gz DSRQQBBDAIKCGO-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CC[C@H](C)[C@@H](C)C1 131900024 573102811 /nfs/dbraw/zinc/10/28/11/573102811.db2.gz DSRQQBBDAIKCGO-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C)CCN1CC[C@H](C)[C@@H](C)C1 131900024 573102818 /nfs/dbraw/zinc/10/28/18/573102818.db2.gz DSRQQBBDAIKCGO-SDDRHHMPSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H]([NH3+])C1(CN)CCC1 259328619 573103691 /nfs/dbraw/zinc/10/36/91/573103691.db2.gz JABJMIAKMCQDCB-MRVPVSSYSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@](C)([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308502073 573104277 /nfs/dbraw/zinc/10/42/77/573104277.db2.gz HBHPVZUBXUJUNZ-QCNOEVLYSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H](CN)C[NH2+]CCc1ccsc1 308257181 573105053 /nfs/dbraw/zinc/10/50/53/573105053.db2.gz KGIBFQSEDULHKF-SECBINFHSA-N 1 3 198.335 1.475 10 0 ADAEHO C[C@H](C[NH3+])CNCCc1ccsc1 308257181 573105057 /nfs/dbraw/zinc/10/50/57/573105057.db2.gz KGIBFQSEDULHKF-SECBINFHSA-N 1 3 198.335 1.475 10 0 ADAEHO CCC[C@H]1C[NH2+]CC[C@H]1N(C)C 238279542 573105289 /nfs/dbraw/zinc/10/52/89/573105289.db2.gz AUUKQMODWKIOKR-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@H]1CNCC[C@H]1[NH+](C)C 238279542 573105305 /nfs/dbraw/zinc/10/53/05/573105305.db2.gz AUUKQMODWKIOKR-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238284749 573105643 /nfs/dbraw/zinc/10/56/43/573105643.db2.gz OZFBTYWYRNXTQO-DBIOUOCHSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238284749 573105648 /nfs/dbraw/zinc/10/56/48/573105648.db2.gz OZFBTYWYRNXTQO-DBIOUOCHSA-N 1 3 182.311 1.739 10 0 ADAEHO CN1CCC([C@H]2[NH2+]CC(C)(C)O2)CC1 258528758 573106699 /nfs/dbraw/zinc/10/66/99/573106699.db2.gz NMWGVIMQSDURHS-JTQLQIEISA-N 1 3 198.310 1.053 10 0 ADAEHO CCCc1ncc2cc(C[NH3+])ccn12 258232610 573107863 /nfs/dbraw/zinc/10/78/63/573107863.db2.gz LMNJDMCFTQRAOT-UHFFFAOYSA-N 1 3 189.262 1.746 10 0 ADAEHO CC[NH2+]C(C)(C)C[C@@H](C)N 104640516 573108418 /nfs/dbraw/zinc/10/84/18/573108418.db2.gz SHIJXPLEJWVSKF-SSDOTTSWSA-N 1 3 144.262 1.112 10 0 ADAEHO C[NH2+]C[C@H]1CCN(C2CC2)[C@H]1C 259329896 573108570 /nfs/dbraw/zinc/10/85/70/573108570.db2.gz RKDBQOVFBCVKRX-DTWKUNHWSA-N 1 3 168.284 1.079 10 0 ADAEHO CN1CCC([C@@H]2[NH2+]CC(C)(C)O2)CC1 258528777 573108553 /nfs/dbraw/zinc/10/85/53/573108553.db2.gz NMWGVIMQSDURHS-SNVBAGLBSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@H]1C[NH2+]CC[C@@H]1N(C)C 238279469 573108658 /nfs/dbraw/zinc/10/86/58/573108658.db2.gz AUUKQMODWKIOKR-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[C@H]1CNCC[C@@H]1[NH+](C)C 238279469 573108662 /nfs/dbraw/zinc/10/86/62/573108662.db2.gz AUUKQMODWKIOKR-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]CCCN1CC[C@H](C)[C@H](C)C1 131906716 573108704 /nfs/dbraw/zinc/10/87/04/573108704.db2.gz GXLVPWVKYOFRET-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]2CCCC[C@@H]2N1 85665590 573108985 /nfs/dbraw/zinc/10/89/85/573108985.db2.gz AHDJKCMHVZAZKT-VWYCJHECSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CCNCCC[N@@H+]1C(C)(C)C 259332772 573109231 /nfs/dbraw/zinc/10/92/31/573109231.db2.gz IZLMLHGAMYWTAA-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CCNCCC[N@H+]1C(C)(C)C 259332772 573109237 /nfs/dbraw/zinc/10/92/37/573109237.db2.gz IZLMLHGAMYWTAA-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CCNCCC[N@@H+]1C(C)(C)C 259332774 573109745 /nfs/dbraw/zinc/10/97/45/573109745.db2.gz IZLMLHGAMYWTAA-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CCNCCC[N@H+]1C(C)(C)C 259332774 573109759 /nfs/dbraw/zinc/10/97/59/573109759.db2.gz IZLMLHGAMYWTAA-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(C2CC2)[C@H]1C 259329902 573109874 /nfs/dbraw/zinc/10/98/74/573109874.db2.gz RKDBQOVFBCVKRX-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H]([NH3+])CNc1ccncc1 82579485 573110084 /nfs/dbraw/zinc/11/00/84/573110084.db2.gz NMHYORKVLBGDLW-QMMMGPOBSA-N 1 3 165.240 1.231 10 0 ADAEHO CC[C@@H]([NH3+])CNc1ccncc1 82579486 573110215 /nfs/dbraw/zinc/11/02/15/573110215.db2.gz NMHYORKVLBGDLW-MRVPVSSYSA-N 1 3 165.240 1.231 10 0 ADAEHO CC[NH2+]C(C)(C)C[C@H](C)N 104640520 573110293 /nfs/dbraw/zinc/11/02/93/573110293.db2.gz SHIJXPLEJWVSKF-ZETCQYMHSA-N 1 3 144.262 1.112 10 0 ADAEHO CCCC[N@@H+]1C[C@@H](CN)CC1(C)C 259332708 573110413 /nfs/dbraw/zinc/11/04/13/573110413.db2.gz IYDFNKZLOVEIFA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+]1C[C@@H](CN)CC1(C)C 259332708 573110423 /nfs/dbraw/zinc/11/04/23/573110423.db2.gz IYDFNKZLOVEIFA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 85665586 573111699 /nfs/dbraw/zinc/11/16/99/573111699.db2.gz AHDJKCMHVZAZKT-DCAQKATOSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 85665594 573111814 /nfs/dbraw/zinc/11/18/14/573111814.db2.gz ZPXMTZPHOKMKIE-SRVKXCTJSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(C2CC2)[C@@H]1C 259329888 573112781 /nfs/dbraw/zinc/11/27/81/573112781.db2.gz RKDBQOVFBCVKRX-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO [NH3+]CC1(Nc2ccncc2)CCCC1 82592923 573113432 /nfs/dbraw/zinc/11/34/32/573113432.db2.gz QERDPRQEZVSEHG-UHFFFAOYSA-N 1 3 191.278 1.765 10 0 ADAEHO C[NH2+]C[C@H]1CCN(C2CC2)[C@@H]1C 259329907 573113308 /nfs/dbraw/zinc/11/33/08/573113308.db2.gz RKDBQOVFBCVKRX-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[C@]1(C)CN(C)CC[C@@H](C)[NH3+] 715126679 573113408 /nfs/dbraw/zinc/11/34/08/573113408.db2.gz LNMVKOUZRUCODT-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@]1(C)C[N@@H+](C)CC[C@@H](C)N 715126679 573113413 /nfs/dbraw/zinc/11/34/13/573113413.db2.gz LNMVKOUZRUCODT-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@]1(C)C[N@H+](C)CC[C@@H](C)N 715126679 573113420 /nfs/dbraw/zinc/11/34/20/573113420.db2.gz LNMVKOUZRUCODT-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO Cc1ccc([C@@H](CN)C[NH+](C)C)s1 258232830 573113463 /nfs/dbraw/zinc/11/34/63/573113463.db2.gz RMEWBFNHIHYHPS-VIFPVBQESA-N 1 3 198.335 1.660 10 0 ADAEHO CCCC[N@@H+]1C[C@H](CN)CC1(C)C 259332707 573113525 /nfs/dbraw/zinc/11/35/25/573113525.db2.gz IYDFNKZLOVEIFA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+]1C[C@H](CN)CC1(C)C 259332707 573113530 /nfs/dbraw/zinc/11/35/30/573113530.db2.gz IYDFNKZLOVEIFA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCC[C@@H]1CCN 82594379 573113934 /nfs/dbraw/zinc/11/39/34/573113934.db2.gz VIFRDRVDBWKPGE-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCC[C@@H]1CCN 82594379 573113939 /nfs/dbraw/zinc/11/39/39/573113939.db2.gz VIFRDRVDBWKPGE-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C[NH2+]CCCN)CC(F)F 688733796 573114218 /nfs/dbraw/zinc/11/42/18/573114218.db2.gz GXARPITVIXYJSE-QMMMGPOBSA-N 1 3 194.269 1.606 10 0 ADAEHO CC(C)(C)C[C@H]([NH3+])CNC1CCC1 257953932 573114880 /nfs/dbraw/zinc/11/48/80/573114880.db2.gz ARGIBWXEDSLROF-VIFPVBQESA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1CC[N@@H+](CC(C)(C)[C@@H](C)N)C1 85678860 573114779 /nfs/dbraw/zinc/11/47/79/573114779.db2.gz HBAFCCBRZCFVTR-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[N@H+](CC(C)(C)[C@@H](C)N)C1 85678860 573114789 /nfs/dbraw/zinc/11/47/89/573114789.db2.gz HBAFCCBRZCFVTR-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)C[C@]1(C)C[C@H]1C 715126681 573114812 /nfs/dbraw/zinc/11/48/12/573114812.db2.gz LNMVKOUZRUCODT-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)C[C@]1(C)C[C@H]1C 715126681 573114819 /nfs/dbraw/zinc/11/48/19/573114819.db2.gz LNMVKOUZRUCODT-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)C[C@]1(C)C[C@H]1C 715126681 573114823 /nfs/dbraw/zinc/11/48/23/573114823.db2.gz LNMVKOUZRUCODT-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO [NH3+][C@H](CNc1ccncc1)C1CC1 82593962 573115328 /nfs/dbraw/zinc/11/53/28/573115328.db2.gz UJRQEWHBCDASEQ-SNVBAGLBSA-N 1 3 177.251 1.231 10 0 ADAEHO CCN(C)CC(C)(C)[C@@H](C)[NH2+]C 85678406 573115379 /nfs/dbraw/zinc/11/53/79/573115379.db2.gz CGNSGMBACBLEBZ-SECBINFHSA-N 1 3 172.316 1.572 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC(C)(C)[C@@H](C)N)C1 85678858 573115421 /nfs/dbraw/zinc/11/54/21/573115421.db2.gz HBAFCCBRZCFVTR-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[N@H+](CC(C)(C)[C@@H](C)N)C1 85678858 573115437 /nfs/dbraw/zinc/11/54/37/573115437.db2.gz HBAFCCBRZCFVTR-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CN[C@H](C)C1=CCC[N@@H+](C(C)C)C1 257944671 573115499 /nfs/dbraw/zinc/11/54/99/573115499.db2.gz DUFBTTPHFYQROZ-SNVBAGLBSA-N 1 3 182.311 1.635 10 0 ADAEHO CN[C@H](C)C1=CCC[N@H+](C(C)C)C1 257944671 573115503 /nfs/dbraw/zinc/11/55/03/573115503.db2.gz DUFBTTPHFYQROZ-SNVBAGLBSA-N 1 3 182.311 1.635 10 0 ADAEHO C[NH2+][C@H](C)C1=CCCN(C(C)C)C1 257944671 573115508 /nfs/dbraw/zinc/11/55/08/573115508.db2.gz DUFBTTPHFYQROZ-SNVBAGLBSA-N 1 3 182.311 1.635 10 0 ADAEHO C[C@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)N 85677914 573115552 /nfs/dbraw/zinc/11/55/52/573115552.db2.gz NHVWTHMQNGTQFO-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)N 85677914 573115558 /nfs/dbraw/zinc/11/55/58/573115558.db2.gz NHVWTHMQNGTQFO-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C(C)(C)C[NH+]1CCCCC1 85678232 573115902 /nfs/dbraw/zinc/11/59/02/573115902.db2.gz FBIKFYYTFCXOSI-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])C(C)(C)CN1CCCCC1 85678232 573115910 /nfs/dbraw/zinc/11/59/10/573115910.db2.gz FBIKFYYTFCXOSI-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C[NH3+])Nc1ccncc1 82591883 573115941 /nfs/dbraw/zinc/11/59/41/573115941.db2.gz FOHACMOHMSWKBA-QMMMGPOBSA-N 1 3 165.240 1.231 10 0 ADAEHO CC[C@H](C[NH3+])Nc1ccncc1 82591884 573115982 /nfs/dbraw/zinc/11/59/82/573115982.db2.gz FOHACMOHMSWKBA-MRVPVSSYSA-N 1 3 165.240 1.231 10 0 ADAEHO CCP(CC)CCC[NH3+] 104643840 573116190 /nfs/dbraw/zinc/11/61/90/573116190.db2.gz QIDKAAZWTSKBOX-UHFFFAOYSA-N 1 3 147.202 1.857 10 0 ADAEHO Cn1c(CN)cc2ccc(C[NH3+])cc21 257944055 573116278 /nfs/dbraw/zinc/11/62/78/573116278.db2.gz GJTAXYUBZQNQSG-UHFFFAOYSA-N 1 3 189.262 1.096 10 0 ADAEHO Cc1ccc([C@H](CN)C[NH+](C)C)s1 258232829 573116285 /nfs/dbraw/zinc/11/62/85/573116285.db2.gz RMEWBFNHIHYHPS-SECBINFHSA-N 1 3 198.335 1.660 10 0 ADAEHO CC[C@@H](C[NH2+]CCCN)CC(F)F 688733794 573116356 /nfs/dbraw/zinc/11/63/56/573116356.db2.gz GXARPITVIXYJSE-MRVPVSSYSA-N 1 3 194.269 1.606 10 0 ADAEHO CC1(C)C[C@@H]1NCCC[NH2+]CC1CC1 717136948 573117545 /nfs/dbraw/zinc/11/75/45/573117545.db2.gz GZRYFEQHFACNDH-NSHDSACASA-N 1 3 196.338 1.764 10 0 ADAEHO CN[C@@H](C)C1=CCC[N@@H+](C(C)C)C1 257944666 573117124 /nfs/dbraw/zinc/11/71/24/573117124.db2.gz DUFBTTPHFYQROZ-JTQLQIEISA-N 1 3 182.311 1.635 10 0 ADAEHO CN[C@@H](C)C1=CCC[N@H+](C(C)C)C1 257944666 573117131 /nfs/dbraw/zinc/11/71/31/573117131.db2.gz DUFBTTPHFYQROZ-JTQLQIEISA-N 1 3 182.311 1.635 10 0 ADAEHO C[NH2+][C@@H](C)C1=CCCN(C(C)C)C1 257944666 573117136 /nfs/dbraw/zinc/11/71/36/573117136.db2.gz DUFBTTPHFYQROZ-JTQLQIEISA-N 1 3 182.311 1.635 10 0 ADAEHO C[C@@H]1CCC[N@H+]1CC(C)(C)[C@@H](C)N 85677911 573117139 /nfs/dbraw/zinc/11/71/39/573117139.db2.gz NHVWTHMQNGTQFO-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)N 85677911 573117147 /nfs/dbraw/zinc/11/71/47/573117147.db2.gz NHVWTHMQNGTQFO-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+][C@@H](CNc1ccncc1)C1CC1 82593959 573117366 /nfs/dbraw/zinc/11/73/66/573117366.db2.gz UJRQEWHBCDASEQ-JTQLQIEISA-N 1 3 177.251 1.231 10 0 ADAEHO C[C@H]1C[C@@]1(C)CN(C)CC[C@@H](C)[NH3+] 715126676 573117436 /nfs/dbraw/zinc/11/74/36/573117436.db2.gz LNMVKOUZRUCODT-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@]1(C)C[N@@H+](C)CC[C@@H](C)N 715126676 573117444 /nfs/dbraw/zinc/11/74/44/573117444.db2.gz LNMVKOUZRUCODT-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@]1(C)C[N@H+](C)CC[C@@H](C)N 715126676 573117452 /nfs/dbraw/zinc/11/74/52/573117452.db2.gz LNMVKOUZRUCODT-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CN(CCF)CC1CC[NH+](C)CC1 308273556 573118014 /nfs/dbraw/zinc/11/80/14/573118014.db2.gz UEWVVLDDZPATGS-UHFFFAOYSA-N 1 3 188.290 1.230 10 0 ADAEHO C[C@@H](N)C(C)(C)C[NH+]1CCCC1 85678056 573118045 /nfs/dbraw/zinc/11/80/45/573118045.db2.gz KZMNKHGIWBPJMB-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](N)C(C)(C)C[NH+]1CCCCC1 85678231 573118174 /nfs/dbraw/zinc/11/81/74/573118174.db2.gz FBIKFYYTFCXOSI-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([NH3+])C(C)(C)CN1CCCCC1 85678231 573118180 /nfs/dbraw/zinc/11/81/80/573118180.db2.gz FBIKFYYTFCXOSI-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CNCc1cc2cccc(C[NH3+])c2o1 257944992 573118599 /nfs/dbraw/zinc/11/85/99/573118599.db2.gz WFPMWFAUZUZSSN-UHFFFAOYSA-N 1 3 190.246 1.611 10 0 ADAEHO CC1(NCCC[NH2+]CC2CC2)CCC1 717135793 573119243 /nfs/dbraw/zinc/11/92/43/573119243.db2.gz ABNQGOLFFLVOIM-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CC1([NH2+]CCCNCC2CC2)CCC1 717135793 573119250 /nfs/dbraw/zinc/11/92/50/573119250.db2.gz ABNQGOLFFLVOIM-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[C@H]1[C@H](CN)CCCC[N@@H+]1CC 238287717 573120028 /nfs/dbraw/zinc/12/00/28/573120028.db2.gz OCRGXHDBMAYJRN-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1[C@H](CN)CCCC[N@H+]1CC 238287717 573120032 /nfs/dbraw/zinc/12/00/32/573120032.db2.gz OCRGXHDBMAYJRN-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@]1([NH3+])CCC[C@@H](N(C)C)C1 642845907 573121124 /nfs/dbraw/zinc/12/11/24/573121124.db2.gz HZJAVJNROUCSJX-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CN1C1CC1 238281018 573122766 /nfs/dbraw/zinc/12/27/66/573122766.db2.gz LIEFQBAVPAZIDX-YUSALJHKSA-N 1 3 194.322 1.611 10 0 ADAEHO CC[C@H]([NH2+]C)C1(CNC)CCC1 259336002 573122496 /nfs/dbraw/zinc/12/24/96/573122496.db2.gz KDYAHPWVRDGXTC-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@H](C)[C@H](C)N 252858759 573122847 /nfs/dbraw/zinc/12/28/47/573122847.db2.gz MCMLQNXTDPBQTI-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@H](C)[C@H](C)N 252858759 573122850 /nfs/dbraw/zinc/12/28/50/573122850.db2.gz MCMLQNXTDPBQTI-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1[C@@H]2NCCC[C@@H]2C[N@@H+]1C(C)C 238281003 573123070 /nfs/dbraw/zinc/12/30/70/573123070.db2.gz XRNGGIDXTGFEEG-IJLUTSLNSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1[C@@H]2NCCC[C@@H]2C[N@H+]1C(C)C 238281003 573123076 /nfs/dbraw/zinc/12/30/76/573123076.db2.gz XRNGGIDXTGFEEG-IJLUTSLNSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H](N)c1coc([C@@H]2CCC[NH2+]C2)n1 258233833 573123398 /nfs/dbraw/zinc/12/33/98/573123398.db2.gz VSRVKGBGRBONDX-JGVFFNPUSA-N 1 3 195.266 1.161 10 0 ADAEHO CC(C)(CC[NH3+])[C@H](N)c1ccc[nH]1 259337178 573123617 /nfs/dbraw/zinc/12/36/17/573123617.db2.gz LLDASAYHPHNMIM-SECBINFHSA-N 1 3 181.283 1.390 10 0 ADAEHO C[C@@H](N)c1coc([C@H]2CCC[NH2+]C2)n1 258233837 573123704 /nfs/dbraw/zinc/12/37/04/573123704.db2.gz VSRVKGBGRBONDX-SFYZADRCSA-N 1 3 195.266 1.161 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@@H](C)[C@H](C)N 252858760 573123712 /nfs/dbraw/zinc/12/37/12/573123712.db2.gz MCMLQNXTDPBQTI-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@@H](C)[C@H](C)N 252858760 573123717 /nfs/dbraw/zinc/12/37/17/573123717.db2.gz MCMLQNXTDPBQTI-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH2+][C@]1(C)CC[C@@H](N)C1(C)C 238281040 573125755 /nfs/dbraw/zinc/12/57/55/573125755.db2.gz WRYJQSCPIJXYAW-PSASIEDQSA-N 1 3 170.300 1.502 10 0 ADAEHO CCN1CC[C@@H](C2([NH3+])CCCC2)C1 257951106 573126220 /nfs/dbraw/zinc/12/62/20/573126220.db2.gz IQRANEZWKVDCTH-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@@H+]1CC[C@H](CNC)[C@H]1C 259334935 573126372 /nfs/dbraw/zinc/12/63/72/573126372.db2.gz RUWVFHGIHOKBJA-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@H+]1CC[C@H](CNC)[C@H]1C 259334935 573126377 /nfs/dbraw/zinc/12/63/77/573126377.db2.gz RUWVFHGIHOKBJA-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@@H](N)C(C)(C)[NH+](C)C 85736949 573126475 /nfs/dbraw/zinc/12/64/75/573126475.db2.gz YVHJQGTWEVJWQU-MRVPVSSYSA-N 1 3 158.289 1.310 10 0 ADAEHO CC[C@@H]([NH2+]C)C1(CNC)CCC1 259335999 573126889 /nfs/dbraw/zinc/12/68/89/573126889.db2.gz KDYAHPWVRDGXTC-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CN1C1CC1 238282397 573127001 /nfs/dbraw/zinc/12/70/01/573127001.db2.gz LIEFQBAVPAZIDX-JLLWLGSASA-N 1 3 194.322 1.611 10 0 ADAEHO CN[C@@H](C)c1cnc(CC[NH+](C)C)o1 257950095 573128288 /nfs/dbraw/zinc/12/82/88/573128288.db2.gz FUASEYFUHXONSH-QMMMGPOBSA-N 1 3 197.282 1.059 10 0 ADAEHO C[NH+](C)C(C)(C)[C@H](N)C1CCCC1 85736487 573127416 /nfs/dbraw/zinc/12/74/16/573127416.db2.gz BBEOCYNNQKRNTG-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](CNC)[C@@H]1C 259334937 573127496 /nfs/dbraw/zinc/12/74/96/573127496.db2.gz RUWVFHGIHOKBJA-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@H+]1CC[C@@H](CNC)[C@@H]1C 259334937 573127500 /nfs/dbraw/zinc/12/75/00/573127500.db2.gz RUWVFHGIHOKBJA-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1C[C@@H](CNC)CC1(C)C 259335787 573127675 /nfs/dbraw/zinc/12/76/75/573127675.db2.gz JBOMWZOFKGYRRT-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1C[C@@H](CNC)CC1(C)C 259335787 573127680 /nfs/dbraw/zinc/12/76/80/573127680.db2.gz JBOMWZOFKGYRRT-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH+](C)C(C)(C)[C@@H](N)C1CCCC1 85736491 573127936 /nfs/dbraw/zinc/12/79/36/573127936.db2.gz BBEOCYNNQKRNTG-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH+](C)C(C)(C)[C@H](N)C1CC1 85736868 573128561 /nfs/dbraw/zinc/12/85/61/573128561.db2.gz XMKVKXQUSWHUDX-MRVPVSSYSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](CNC)[C@H]1C 259334940 573128594 /nfs/dbraw/zinc/12/85/94/573128594.db2.gz RUWVFHGIHOKBJA-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@H+]1CC[C@@H](CNC)[C@H]1C 259334940 573128602 /nfs/dbraw/zinc/12/86/02/573128602.db2.gz RUWVFHGIHOKBJA-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1C[C@H](CNC)CC1(C)C 259335791 573128701 /nfs/dbraw/zinc/12/87/01/573128701.db2.gz JBOMWZOFKGYRRT-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1C[C@H](CNC)CC1(C)C 259335791 573128710 /nfs/dbraw/zinc/12/87/10/573128710.db2.gz JBOMWZOFKGYRRT-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@H](C)c1cnc(CC[NH+](C)C)o1 257950091 573129361 /nfs/dbraw/zinc/12/93/61/573129361.db2.gz FUASEYFUHXONSH-MRVPVSSYSA-N 1 3 197.282 1.059 10 0 ADAEHO CCN1CC[C@H](C2([NH3+])CCCC2)C1 257951104 573129623 /nfs/dbraw/zinc/12/96/23/573129623.db2.gz IQRANEZWKVDCTH-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@@H]1[C@H]2NCCC[C@@H]2C[N@@H+]1C(C)C 238282381 573130151 /nfs/dbraw/zinc/13/01/51/573130151.db2.gz XRNGGIDXTGFEEG-UTUOFQBUSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1[C@H]2NCCC[C@@H]2C[N@H+]1C(C)C 238282381 573130160 /nfs/dbraw/zinc/13/01/60/573130160.db2.gz XRNGGIDXTGFEEG-UTUOFQBUSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH+](C)C(C)(C)[C@@H](N)C1CC1 85736871 573130559 /nfs/dbraw/zinc/13/05/59/573130559.db2.gz XMKVKXQUSWHUDX-QMMMGPOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@H](N)C(C)(C)[NH+](C)C 85736945 573130676 /nfs/dbraw/zinc/13/06/76/573130676.db2.gz YVHJQGTWEVJWQU-QMMMGPOBSA-N 1 3 158.289 1.310 10 0 ADAEHO CNC[C@H]1C[N@H+](CC(C)C)C(C)(C)C1 259338642 573131005 /nfs/dbraw/zinc/13/10/05/573131005.db2.gz JDSPQVVQMIEBAK-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1C[N@@H+](CC(C)C)C(C)(C)C1 259338642 573131014 /nfs/dbraw/zinc/13/10/14/573131014.db2.gz JDSPQVVQMIEBAK-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]([NH3+])[C@@H](F)C1CCN(C)CC1 257951915 573131145 /nfs/dbraw/zinc/13/11/45/573131145.db2.gz WJDQKTQATCJFTB-IONNQARKSA-N 1 3 174.263 1.014 10 0 ADAEHO NCc1cc2ccc(C[NH3+])cc2s1 257952694 573131534 /nfs/dbraw/zinc/13/15/34/573131534.db2.gz HDALKTFHLDACKW-UHFFFAOYSA-N 1 3 192.287 1.819 10 0 ADAEHO CC1(CN[C@@H]2CCC[NH2+]C2)CCCC1 82619154 573131626 /nfs/dbraw/zinc/13/16/26/573131626.db2.gz UIYKDWZMKNKMJO-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO C[C@@H]([NH3+])[C@H](F)C1CCN(C)CC1 257951911 573131945 /nfs/dbraw/zinc/13/19/45/573131945.db2.gz WJDQKTQATCJFTB-APPZFPTMSA-N 1 3 174.263 1.014 10 0 ADAEHO CCN1CCC(C)(C)[C@@H](C[NH2+]C)C1 259339822 573132245 /nfs/dbraw/zinc/13/22/45/573132245.db2.gz SGEBNCAIARGGJC-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CN[C@H](c1ccc(C)o1)[C@@H](C)CC[NH3+] 259339209 573132631 /nfs/dbraw/zinc/13/26/31/573132631.db2.gz KFUMXAHSEJHADL-KWQFWETISA-N 1 3 196.294 1.833 10 0 ADAEHO CN[C@H](c1ccc(C)o1)[C@H](C)CC[NH3+] 259339205 573132830 /nfs/dbraw/zinc/13/28/30/573132830.db2.gz KFUMXAHSEJHADL-KCJUWKMLSA-N 1 3 196.294 1.833 10 0 ADAEHO CC1(CN2CCC([NH3+])CC2)CCCC1 82625572 573133092 /nfs/dbraw/zinc/13/30/92/573133092.db2.gz DCRJZEDTDSRRLM-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C[NH+]2CCC(N)CC2)CCCC1 82625572 573133097 /nfs/dbraw/zinc/13/30/97/573133097.db2.gz DCRJZEDTDSRRLM-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](F)C1CCN(C)CC1 257951917 573133115 /nfs/dbraw/zinc/13/31/15/573133115.db2.gz WJDQKTQATCJFTB-VXNVDRBHSA-N 1 3 174.263 1.014 10 0 ADAEHO CN(C)[C@H]1CC[NH2+]C[C@H]1CC1CC1 238299007 573133176 /nfs/dbraw/zinc/13/31/76/573133176.db2.gz MPISYCDIZAQTNM-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH+](C)[C@H]1CCNC[C@H]1CC1CC1 238299007 573133184 /nfs/dbraw/zinc/13/31/84/573133184.db2.gz MPISYCDIZAQTNM-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]([NH3+])[C@H](F)C1CCN(C)CC1 257951913 573133309 /nfs/dbraw/zinc/13/33/09/573133309.db2.gz WJDQKTQATCJFTB-CBAPKCEASA-N 1 3 174.263 1.014 10 0 ADAEHO CC1(C[N@@H+]2CC[C@@H](CN)C2)CCCC1 82625585 573133831 /nfs/dbraw/zinc/13/38/31/573133831.db2.gz ZKJKSOKNRXJEHN-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(C[N@H+]2CC[C@@H](CN)C2)CCCC1 82625585 573133838 /nfs/dbraw/zinc/13/38/38/573133838.db2.gz ZKJKSOKNRXJEHN-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(CN[C@H]2CCC[NH2+]C2)CCCC1 82619155 573133960 /nfs/dbraw/zinc/13/39/60/573133960.db2.gz UIYKDWZMKNKMJO-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CN[C@@H](c1ccc(C)o1)[C@@H](C)CC[NH3+] 259339202 573134206 /nfs/dbraw/zinc/13/42/06/573134206.db2.gz KFUMXAHSEJHADL-GZMMTYOYSA-N 1 3 196.294 1.833 10 0 ADAEHO CC1(C[N@@H+]2CC[C@H](CN)C2)CCCC1 82625584 573134528 /nfs/dbraw/zinc/13/45/28/573134528.db2.gz ZKJKSOKNRXJEHN-LLVKDONJSA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(C[N@H+]2CC[C@H](CN)C2)CCCC1 82625584 573134532 /nfs/dbraw/zinc/13/45/32/573134532.db2.gz ZKJKSOKNRXJEHN-LLVKDONJSA-N 1 3 196.338 1.847 10 0 ADAEHO CC[C@H](N)C[C@@H]1CCCC[NH2+]1 238283583 573134708 /nfs/dbraw/zinc/13/47/08/573134708.db2.gz MAUJJDMNCSGNBX-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H]([NH3+])C[C@@H]1CCCCN1 238283583 573134719 /nfs/dbraw/zinc/13/47/19/573134719.db2.gz MAUJJDMNCSGNBX-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CN[C@@H](c1ccc(C)o1)[C@H](C)CC[NH3+] 259339211 573134774 /nfs/dbraw/zinc/13/47/74/573134774.db2.gz KFUMXAHSEJHADL-LDYMZIIASA-N 1 3 196.294 1.833 10 0 ADAEHO CN(C)[C@H]1CC[NH2+]C[C@@H]1CC1CC1 238298986 573136161 /nfs/dbraw/zinc/13/61/61/573136161.db2.gz MPISYCDIZAQTNM-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](N)C[C@H]1CCCC[NH2+]1 238283844 573135552 /nfs/dbraw/zinc/13/55/52/573135552.db2.gz MAUJJDMNCSGNBX-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H]([NH3+])C[C@H]1CCCCN1 238283844 573135557 /nfs/dbraw/zinc/13/55/57/573135557.db2.gz MAUJJDMNCSGNBX-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CNC[C@@H]1C[N@H+](CC(C)C)C(C)(C)C1 259338636 573135663 /nfs/dbraw/zinc/13/56/63/573135663.db2.gz JDSPQVVQMIEBAK-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1C[N@@H+](CC(C)C)C(C)(C)C1 259338636 573135668 /nfs/dbraw/zinc/13/56/68/573135668.db2.gz JDSPQVVQMIEBAK-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH+](C)[C@H]1CCNC[C@@H]1CC1CC1 238298986 573136166 /nfs/dbraw/zinc/13/61/66/573136166.db2.gz MPISYCDIZAQTNM-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCCC[C@@H]1N(C)CCC(N)=[NH2+] 42607964 573136389 /nfs/dbraw/zinc/13/63/89/573136389.db2.gz LXOGYXNHBSBVHS-UWVGGRQHSA-N 1 3 197.326 1.823 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1N(C)CCC(N)=[NH2+] 42607963 573136567 /nfs/dbraw/zinc/13/65/67/573136567.db2.gz LXOGYXNHBSBVHS-ZJUUUORDSA-N 1 3 197.326 1.823 10 0 ADAEHO CC[NH2+]CCc1ccc2c(c1)CNC2 257955497 573136829 /nfs/dbraw/zinc/13/68/29/573136829.db2.gz CPNBPQZMDVXVKQ-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO CCN1CCC(C)(C)[C@H](C[NH2+]C)C1 259341631 573138166 /nfs/dbraw/zinc/13/81/66/573138166.db2.gz SGEBNCAIARGGJC-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH3+])C1CCCCC1 259340931 573139019 /nfs/dbraw/zinc/13/90/19/573139019.db2.gz JKAJCUCLQRUEGT-MWLCHTKSSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[C@H](CN)[C@H]([NH3+])C1CCCCC1 259340930 573139564 /nfs/dbraw/zinc/13/95/64/573139564.db2.gz JKAJCUCLQRUEGT-KOLCDFICSA-N 1 3 184.327 1.879 10 0 ADAEHO CN(C)[C@@H]1CC[NH2+]C[C@@H]1CC1CC1 238289310 573139574 /nfs/dbraw/zinc/13/95/74/573139574.db2.gz MPISYCDIZAQTNM-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH+](C)[C@@H]1CCNC[C@@H]1CC1CC1 238289310 573139577 /nfs/dbraw/zinc/13/95/77/573139577.db2.gz MPISYCDIZAQTNM-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH3+])C1CCCCC1 259340936 573139766 /nfs/dbraw/zinc/13/97/66/573139766.db2.gz JKAJCUCLQRUEGT-ONGXEEELSA-N 1 3 184.327 1.879 10 0 ADAEHO CN1CC[C@H](C2CCC2)[C@H]1C[NH3+] 258550640 573139953 /nfs/dbraw/zinc/13/99/53/573139953.db2.gz PIANTZSQXYYTFC-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CCN(CC)CC1(C[NH2+]C)CCC1 258550026 573141287 /nfs/dbraw/zinc/14/12/87/573141287.db2.gz AIAWTJUREIQQTJ-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CN(C)[C@@H]1CC[NH2+]C[C@H]1CC1CC1 238289339 573141769 /nfs/dbraw/zinc/14/17/69/573141769.db2.gz MPISYCDIZAQTNM-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH+](C)[C@@H]1CCNC[C@H]1CC1CC1 238289339 573141776 /nfs/dbraw/zinc/14/17/76/573141776.db2.gz MPISYCDIZAQTNM-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH3+])C1CCCCC1 259340925 573141813 /nfs/dbraw/zinc/14/18/13/573141813.db2.gz JKAJCUCLQRUEGT-GXSJLCMTSA-N 1 3 184.327 1.879 10 0 ADAEHO C1CN[C@@H]2[C@@H](C1)CC[N@@H+]1CCC[C@@H]21 257738177 573143306 /nfs/dbraw/zinc/14/33/06/573143306.db2.gz CBNWYCMAPOWEMT-GARJFASQSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CN[C@@H]2[C@@H](C1)CC[N@H+]1CCC[C@@H]21 257738177 573143313 /nfs/dbraw/zinc/14/33/13/573143313.db2.gz CBNWYCMAPOWEMT-GARJFASQSA-N 1 3 180.295 1.223 10 0 ADAEHO CC[NH2+]C[C@@H](NC)C1CCCCC1 225320604 573143423 /nfs/dbraw/zinc/14/34/23/573143423.db2.gz HZCLLUUQMUPEJZ-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO C1CCN2[C@H](C1)C[C@H]1[NH2+]CCC[C@H]12 257738229 573143507 /nfs/dbraw/zinc/14/35/07/573143507.db2.gz CZDLGLLKSCKRCN-GMTAPVOTSA-N 1 3 180.295 1.365 10 0 ADAEHO C1CN[C@@H]2CC[N@@H+]3CCC[C@H]3[C@H]2C1 257737373 573143604 /nfs/dbraw/zinc/14/36/04/573143604.db2.gz AJUCZQSPZWDULM-AXFHLTTASA-N 1 3 180.295 1.223 10 0 ADAEHO C1CN[C@@H]2CC[N@H+]3CCC[C@H]3[C@H]2C1 257737373 573143611 /nfs/dbraw/zinc/14/36/11/573143611.db2.gz AJUCZQSPZWDULM-AXFHLTTASA-N 1 3 180.295 1.223 10 0 ADAEHO NC[C@@H](C[NH2+]C1CC1)C1CCCCC1 258481474 573143675 /nfs/dbraw/zinc/14/36/75/573143675.db2.gz YVNGFLITOWCBHK-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO [NH3+]C[C@@H](CNC1CC1)C1CCCCC1 258481474 573143682 /nfs/dbraw/zinc/14/36/82/573143682.db2.gz YVNGFLITOWCBHK-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO C1C[NH2+][C@H]2C[C@H]3CCCCN3[C@H]2C1 257738231 573144544 /nfs/dbraw/zinc/14/45/44/573144544.db2.gz CZDLGLLKSCKRCN-VWYCJHECSA-N 1 3 180.295 1.365 10 0 ADAEHO C1CN[C@H]2[C@@H]3CCC[N@H+]3CC[C@H]2C1 257738179 573144792 /nfs/dbraw/zinc/14/47/92/573144792.db2.gz CBNWYCMAPOWEMT-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO CC(C)C(C)(C)NC[C@@H]1CCC[NH2+]1 308503245 573144796 /nfs/dbraw/zinc/14/47/96/573144796.db2.gz BSCABEVCHZJSBA-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO C1CN[C@H]2[C@@H]3CCC[N@@H+]3CC[C@H]2C1 257738179 573144799 /nfs/dbraw/zinc/14/47/99/573144799.db2.gz CBNWYCMAPOWEMT-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO CC(C)C(C)(C)[NH2+]C[C@@H]1CCCN1 308503245 573144801 /nfs/dbraw/zinc/14/48/01/573144801.db2.gz BSCABEVCHZJSBA-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO C1CCN2[C@H](C1)C[C@@H]1[NH2+]CCC[C@H]12 257738230 573145255 /nfs/dbraw/zinc/14/52/55/573145255.db2.gz CZDLGLLKSCKRCN-OUAUKWLOSA-N 1 3 180.295 1.365 10 0 ADAEHO CC[C@@H](N)C[C@H]1CCCC[NH2+]1 238290369 573145333 /nfs/dbraw/zinc/14/53/33/573145333.db2.gz MAUJJDMNCSGNBX-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@@H]([NH3+])C[C@H]1CCCCN1 238290369 573145336 /nfs/dbraw/zinc/14/53/36/573145336.db2.gz MAUJJDMNCSGNBX-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO C1CN[C@@H]2CC[N@@H+]3CCC[C@H]3[C@@H]2C1 257737376 573145430 /nfs/dbraw/zinc/14/54/30/573145430.db2.gz AJUCZQSPZWDULM-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CN[C@@H]2CC[N@H+]3CCC[C@H]3[C@@H]2C1 257737376 573145436 /nfs/dbraw/zinc/14/54/36/573145436.db2.gz AJUCZQSPZWDULM-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@H](N)[C@H]1CCC[N@@H+](C2CCCC2)C1 82645510 573145524 /nfs/dbraw/zinc/14/55/24/573145524.db2.gz MWYQJXYVPDQRNH-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)[C@H]1CCC[N@H+](C2CCCC2)C1 82645510 573145527 /nfs/dbraw/zinc/14/55/27/573145527.db2.gz MWYQJXYVPDQRNH-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO NC[C@H](C[NH2+]C1CC1)C1CCCCC1 258481471 573146047 /nfs/dbraw/zinc/14/60/47/573146047.db2.gz YVNGFLITOWCBHK-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO [NH3+]C[C@H](CNC1CC1)C1CCCCC1 258481471 573146053 /nfs/dbraw/zinc/14/60/53/573146053.db2.gz YVNGFLITOWCBHK-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO CN1CC[C@@H](C2CCC2)[C@@H]1C[NH3+] 258550651 573146475 /nfs/dbraw/zinc/14/64/75/573146475.db2.gz PIANTZSQXYYTFC-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)([NH3+])CCNCCC(C)(F)F 393658359 573146492 /nfs/dbraw/zinc/14/64/92/573146492.db2.gz WFXMSLUAFNMCBA-UHFFFAOYSA-N 1 3 194.269 1.749 10 0 ADAEHO C[NH2+][C@H](C)[C@@H]1CCCN(C(C)C)C1 82646507 573147221 /nfs/dbraw/zinc/14/72/21/573147221.db2.gz KYBRDSZBNFVKED-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C)[C@H]1CCCN(C(C)C)C1 82646506 573147137 /nfs/dbraw/zinc/14/71/37/573147137.db2.gz KYBRDSZBNFVKED-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H](N)[C@@H]1CCC[N@@H+](C2CCCC2)C1 82645508 573147508 /nfs/dbraw/zinc/14/75/08/573147508.db2.gz MWYQJXYVPDQRNH-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](CCN(CC)CC)[NH2+]C 85795481 573148509 /nfs/dbraw/zinc/14/85/09/573148509.db2.gz DIOFICFEOHHURW-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CC(C)C[C@@H]([NH3+])C1(CN)CCC1 259343537 573148469 /nfs/dbraw/zinc/14/84/69/573148469.db2.gz JLICZMRBZKTQPU-SECBINFHSA-N 1 3 170.300 1.489 10 0 ADAEHO CC(C)C[C@H]([NH3+])C1(CN)CCC1 259343538 573149130 /nfs/dbraw/zinc/14/91/30/573149130.db2.gz JLICZMRBZKTQPU-VIFPVBQESA-N 1 3 170.300 1.489 10 0 ADAEHO CN1CC[C@H](C2CCC2)[C@@H]1C[NH3+] 258550672 573149797 /nfs/dbraw/zinc/14/97/97/573149797.db2.gz PIANTZSQXYYTFC-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CCN(C1CC1)[C@H]1CCC[NH2+]CC1 82666658 573149912 /nfs/dbraw/zinc/14/99/12/573149912.db2.gz XEJHQGCTJVNELV-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CCCNCC1 82666658 573149916 /nfs/dbraw/zinc/14/99/16/573149916.db2.gz XEJHQGCTJVNELV-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CCCNCC1 82666658 573149922 /nfs/dbraw/zinc/14/99/22/573149922.db2.gz XEJHQGCTJVNELV-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CNCC1(C[NH+]2CCCCCC2)CC1 258551731 573150172 /nfs/dbraw/zinc/15/01/72/573150172.db2.gz ANUHIGGSFITNSD-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO C[NH2+]CC1(CN2CCCCCC2)CC1 258551731 573150177 /nfs/dbraw/zinc/15/01/77/573150177.db2.gz ANUHIGGSFITNSD-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO CC[C@H](C)[NH2+]CC1(CNC)CC1 258551728 573150190 /nfs/dbraw/zinc/15/01/90/573150190.db2.gz ANRPBHHWVFSOBS-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO CNCc1cc(C[NH3+])ccc1F 258552505 573150439 /nfs/dbraw/zinc/15/04/39/573150439.db2.gz PMBSDZQNYMGBKZ-UHFFFAOYSA-N 1 3 168.215 1.004 10 0 ADAEHO C[NH2+]CC1(CNC2CC2)CCC1 258551714 573150669 /nfs/dbraw/zinc/15/06/69/573150669.db2.gz ANAKNIQDIIFAHU-UHFFFAOYSA-N 1 3 168.284 1.128 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCCNCC1 82666613 573150765 /nfs/dbraw/zinc/15/07/65/573150765.db2.gz HOVRJQFXFWXPOO-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCCNCC1 82666613 573150768 /nfs/dbraw/zinc/15/07/68/573150768.db2.gz HOVRJQFXFWXPOO-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(C1CC1)[C@@H]1CCC[NH2+]CC1 82666657 573152027 /nfs/dbraw/zinc/15/20/27/573152027.db2.gz XEJHQGCTJVNELV-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO NCC1([C@@H]([NH3+])c2ccccc2)CCC1 259348147 573151386 /nfs/dbraw/zinc/15/13/86/573151386.db2.gz JQXZELYGBJFURV-NSHDSACASA-N 1 3 190.290 1.815 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCCNCC1 82666652 573151389 /nfs/dbraw/zinc/15/13/89/573151389.db2.gz ANWBFXXSXFBPIR-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCCNCC1 82666652 573151395 /nfs/dbraw/zinc/15/13/95/573151395.db2.gz ANWBFXXSXFBPIR-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C[C@H](C)C[NH3+])c1ccccn1 259346713 573151453 /nfs/dbraw/zinc/15/14/53/573151453.db2.gz KMZGMHQRBDGFGQ-ONGXEEELSA-N 1 3 193.294 1.327 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CCCNCC1 82666590 573151517 /nfs/dbraw/zinc/15/15/17/573151517.db2.gz BCCWTAXNYLULHF-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CCCNCC1 82666590 573151525 /nfs/dbraw/zinc/15/15/25/573151525.db2.gz BCCWTAXNYLULHF-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1C[C@H](CN)C[C@@H]1C 308504070 573151703 /nfs/dbraw/zinc/15/17/03/573151703.db2.gz CNGRGJFDQJGNQB-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1C[C@H](CN)C[C@@H]1C 308504070 573151711 /nfs/dbraw/zinc/15/17/11/573151711.db2.gz CNGRGJFDQJGNQB-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CCCNCC1 82666657 573152040 /nfs/dbraw/zinc/15/20/40/573152040.db2.gz XEJHQGCTJVNELV-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CCCNCC1 82666657 573152046 /nfs/dbraw/zinc/15/20/46/573152046.db2.gz XEJHQGCTJVNELV-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CNCC1(C[NH2+]CCC(C)C)CC1 258554963 573152085 /nfs/dbraw/zinc/15/20/85/573152085.db2.gz AZMWWTCVAVWWIP-UHFFFAOYSA-N 1 3 184.327 1.622 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCCNCC1 82666713 573152662 /nfs/dbraw/zinc/15/26/62/573152662.db2.gz CTZICUQLGYKXBH-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCCNCC1 82666750 573152777 /nfs/dbraw/zinc/15/27/77/573152777.db2.gz OCXRDTCFZFNLFS-SECBINFHSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H]2CCCNCC2)C1 82666603 573152811 /nfs/dbraw/zinc/15/28/11/573152811.db2.gz VKBZYRHILBGSKV-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H]2CCCNCC2)C1 82666603 573152817 /nfs/dbraw/zinc/15/28/17/573152817.db2.gz VKBZYRHILBGSKV-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CN(C)C[C@@H]1CCC[C@H]1[NH2+]C1CC1 308282679 573153051 /nfs/dbraw/zinc/15/30/51/573153051.db2.gz YNWSITGWKMGECX-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCCNCC1 82666612 573153162 /nfs/dbraw/zinc/15/31/62/573153162.db2.gz HOVRJQFXFWXPOO-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCCNCC1 82666612 573153155 /nfs/dbraw/zinc/15/31/55/573153155.db2.gz HOVRJQFXFWXPOO-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CCCNCC1 82666589 573153359 /nfs/dbraw/zinc/15/33/59/573153359.db2.gz BCCWTAXNYLULHF-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@H](C[C@@H](C)C[NH3+])c1ccccn1 259346711 573153360 /nfs/dbraw/zinc/15/33/60/573153360.db2.gz KMZGMHQRBDGFGQ-MWLCHTKSSA-N 1 3 193.294 1.327 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CCCNCC1 82666589 573153366 /nfs/dbraw/zinc/15/33/66/573153366.db2.gz BCCWTAXNYLULHF-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCCNCC2)CC1 82666591 573153403 /nfs/dbraw/zinc/15/34/03/573153403.db2.gz JDNNTJPJAGAUJN-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@@H]1CCCNCC1 82666714 573153429 /nfs/dbraw/zinc/15/34/29/573153429.db2.gz CTZICUQLGYKXBH-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCNCC1 82666714 573153438 /nfs/dbraw/zinc/15/34/38/573153438.db2.gz CTZICUQLGYKXBH-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[NH2+][C@H]1CCCNCC1 82666751 573153742 /nfs/dbraw/zinc/15/37/42/573153742.db2.gz OCXRDTCFZFNLFS-VIFPVBQESA-N 1 3 156.273 1.127 10 0 ADAEHO CC1CC[NH+]([C@H]2CCCNCC2)CC1 82666592 573154556 /nfs/dbraw/zinc/15/45/56/573154556.db2.gz JDNNTJPJAGAUJN-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CCCNCC2)C1 82666602 573154620 /nfs/dbraw/zinc/15/46/20/573154620.db2.gz VKBZYRHILBGSKV-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CCCNCC2)C1 82666602 573154615 /nfs/dbraw/zinc/15/46/15/573154615.db2.gz VKBZYRHILBGSKV-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@@H]1CCCNCC1 82666659 573154804 /nfs/dbraw/zinc/15/48/04/573154804.db2.gz UHCWJPGAKFTESY-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN(C)C[C@H]1CCC[C@@H]1[NH2+]C1CC1 308282681 573154642 /nfs/dbraw/zinc/15/46/42/573154642.db2.gz YNWSITGWKMGECX-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCNCC1 82666659 573154810 /nfs/dbraw/zinc/15/48/10/573154810.db2.gz UHCWJPGAKFTESY-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C[C@H](C)C[NH3+])c1ccccn1 259346703 573156290 /nfs/dbraw/zinc/15/62/90/573156290.db2.gz KMZGMHQRBDGFGQ-GXSJLCMTSA-N 1 3 193.294 1.327 10 0 ADAEHO CN(C1CC1)[C@H]1CCC[NH2+]CC1 82666650 573155238 /nfs/dbraw/zinc/15/52/38/573155238.db2.gz ICMNYEPURYCZRG-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CN(C)C[C@H]1CCC[C@H]1[NH2+]C1CC1 308282684 573155339 /nfs/dbraw/zinc/15/53/39/573155339.db2.gz YNWSITGWKMGECX-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH+](C)[C@@H]1CCN[C@H](C2CC2)C1 238293249 573155584 /nfs/dbraw/zinc/15/55/84/573155584.db2.gz FEHUPILXCDGGJB-ZJUUUORDSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCCNCC1 82666660 573155662 /nfs/dbraw/zinc/15/56/62/573155662.db2.gz UHCWJPGAKFTESY-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCCNCC1 82666660 573155667 /nfs/dbraw/zinc/15/56/67/573155667.db2.gz UHCWJPGAKFTESY-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCCNCC1 82666651 573155745 /nfs/dbraw/zinc/15/57/45/573155745.db2.gz ANWBFXXSXFBPIR-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCCNCC1 82666651 573155751 /nfs/dbraw/zinc/15/57/51/573155751.db2.gz ANWBFXXSXFBPIR-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CNC[C@H](C[NH2+]C(C)(C)C)C(C)C 258553151 573156913 /nfs/dbraw/zinc/15/69/13/573156913.db2.gz AWVXYQMDUYXBPY-SNVBAGLBSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCCNCC2)C1 82666762 573155937 /nfs/dbraw/zinc/15/59/37/573155937.db2.gz ZOTAIFXDSGSWKO-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCCNCC2)C1 82666762 573155945 /nfs/dbraw/zinc/15/59/45/573155945.db2.gz ZOTAIFXDSGSWKO-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@@H](C[C@@H](C)C[NH3+])c1ccccn1 259346706 573156077 /nfs/dbraw/zinc/15/60/77/573156077.db2.gz KMZGMHQRBDGFGQ-KOLCDFICSA-N 1 3 193.294 1.327 10 0 ADAEHO NCC1([C@H]([NH3+])c2ccccc2)CCC1 259348142 573156360 /nfs/dbraw/zinc/15/63/60/573156360.db2.gz JQXZELYGBJFURV-LLVKDONJSA-N 1 3 190.290 1.815 10 0 ADAEHO CC[C@H](C[NH2+]C)CN1CCC(C)CC1 258553086 573156382 /nfs/dbraw/zinc/15/63/82/573156382.db2.gz AWEMBKNITZFEMO-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](CNC)C[NH+]1CCC(C)CC1 258553086 573156385 /nfs/dbraw/zinc/15/63/85/573156385.db2.gz AWEMBKNITZFEMO-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH+](C)[C@@H]1CCN[C@@H](C2CC2)C1 238293232 573156438 /nfs/dbraw/zinc/15/64/38/573156438.db2.gz FEHUPILXCDGGJB-NXEZZACHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H](C[NH2+]C)CN1CCC(C)CC1 258553088 573156732 /nfs/dbraw/zinc/15/67/32/573156732.db2.gz AWEMBKNITZFEMO-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](CNC)C[NH+]1CCC(C)CC1 258553088 573156739 /nfs/dbraw/zinc/15/67/39/573156739.db2.gz AWEMBKNITZFEMO-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH+]1CCC(c2cc(N)ccn2)CC1 238293785 573158703 /nfs/dbraw/zinc/15/87/03/573158703.db2.gz MILYSEQDVYIHAN-UHFFFAOYSA-N 1 3 191.278 1.473 10 0 ADAEHO CC(C)N(C)CC[C@H](C)[NH2+]C1CC1 308285024 573158799 /nfs/dbraw/zinc/15/87/99/573158799.db2.gz YPMREMDJLNURKM-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@@H+](C)CC[C@H](C)NC1CC1 308285024 573158806 /nfs/dbraw/zinc/15/88/06/573158806.db2.gz YPMREMDJLNURKM-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@H+](C)CC[C@H](C)NC1CC1 308285024 573158812 /nfs/dbraw/zinc/15/88/12/573158812.db2.gz YPMREMDJLNURKM-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@@H+]1CCCC[C@H]1CC1(N)CC1 257958817 573158905 /nfs/dbraw/zinc/15/89/05/573158905.db2.gz JDOMEXLTBDHUNM-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CC[N@H+]1CCCC[C@H]1CC1(N)CC1 257958817 573158909 /nfs/dbraw/zinc/15/89/09/573158909.db2.gz JDOMEXLTBDHUNM-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CCN1CCCC[C@H]1CC1([NH3+])CC1 257958817 573158917 /nfs/dbraw/zinc/15/89/17/573158917.db2.gz JDOMEXLTBDHUNM-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CNC[C@H](C[NH2+]CC(C)C)C(C)C 258559935 573159593 /nfs/dbraw/zinc/15/95/93/573159593.db2.gz BQNBINPHPVEQHJ-LLVKDONJSA-N 1 3 186.343 1.724 10 0 ADAEHO CC(C)N(C)CC[C@@H](C)[NH2+]C1CC1 308285025 573159670 /nfs/dbraw/zinc/15/96/70/573159670.db2.gz YPMREMDJLNURKM-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@@H+](C)CC[C@@H](C)NC1CC1 308285025 573159677 /nfs/dbraw/zinc/15/96/77/573159677.db2.gz YPMREMDJLNURKM-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@H+](C)CC[C@@H](C)NC1CC1 308285025 573159684 /nfs/dbraw/zinc/15/96/84/573159684.db2.gz YPMREMDJLNURKM-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CN1CCC[C@]12CCCC[C@@H]2[NH3+] 238292898 573159884 /nfs/dbraw/zinc/15/98/84/573159884.db2.gz UADJHCBBDNSBAY-UWVGGRQHSA-N 1 3 168.284 1.352 10 0 ADAEHO CN(C)[C@@]12CC[C@@](C)(C1)[C@@H]1C[NH2+]C[C@@H]12 238294799 573161024 /nfs/dbraw/zinc/16/10/24/573161024.db2.gz LVFLTPADCBQOKG-RHYQMDGZSA-N 1 3 194.322 1.326 10 0 ADAEHO C[NH2+]CC1([C@H](N)C2CCCC2)CCC1 259350349 573161127 /nfs/dbraw/zinc/16/11/27/573161127.db2.gz JTHFXPCHSKLFGJ-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308507485 573162545 /nfs/dbraw/zinc/16/25/45/573162545.db2.gz JISIDDASWKQHRI-KKJSVHSVSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308507487 573163016 /nfs/dbraw/zinc/16/30/16/573163016.db2.gz JISIDDASWKQHRI-LVEVGFFFSA-N 1 3 196.338 1.748 10 0 ADAEHO CC[C@@H]1[C@H](C)[C@@H](NC)C(C)=C[N@@H+]1C 238297820 573163415 /nfs/dbraw/zinc/16/34/15/573163415.db2.gz YDHLADYTQFUMIQ-AXFHLTTASA-N 1 3 182.311 1.838 10 0 ADAEHO CC[C@@H]1[C@H](C)[C@@H](NC)C(C)=C[N@H+]1C 238297820 573163420 /nfs/dbraw/zinc/16/34/20/573163420.db2.gz YDHLADYTQFUMIQ-AXFHLTTASA-N 1 3 182.311 1.838 10 0 ADAEHO CC[C@@H]1[C@H](C)[C@@H]([NH2+]C)C(C)=CN1C 238297820 573163425 /nfs/dbraw/zinc/16/34/25/573163425.db2.gz YDHLADYTQFUMIQ-AXFHLTTASA-N 1 3 182.311 1.838 10 0 ADAEHO CC[C@@H]1[C@H](C)[NH2+]C[C@@H]1[C@@H]1CCCCN1 238297751 573163748 /nfs/dbraw/zinc/16/37/48/573163748.db2.gz KCNVNWKJSROHHV-USZNOCQGSA-N 1 3 196.338 1.763 10 0 ADAEHO CNC[C@@H](C[NH2+]CC(C)C)C(C)C 258559936 573164632 /nfs/dbraw/zinc/16/46/32/573164632.db2.gz BQNBINPHPVEQHJ-NSHDSACASA-N 1 3 186.343 1.724 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H](C)CCN 233338814 573164656 /nfs/dbraw/zinc/16/46/56/573164656.db2.gz WVJPCPLKMACBJF-DTWKUNHWSA-N 1 3 158.289 1.502 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H](CN)C(C)C 259352585 573165636 /nfs/dbraw/zinc/16/56/36/573165636.db2.gz JWEGXEZUFYWRNP-RKDXNWHRSA-N 1 3 158.289 1.345 10 0 ADAEHO CN1CCC[C@H]1C[C@@H]1[NH2+]CC(C)(C)O1 258564527 573166330 /nfs/dbraw/zinc/16/63/30/573166330.db2.gz PAKZXSBUUHPSNW-VHSXEESVSA-N 1 3 198.310 1.195 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@@H](CC)CNC 259352826 573168112 /nfs/dbraw/zinc/16/81/12/573168112.db2.gz TZLUIWYCSJINIH-UWVGGRQHSA-N 1 3 172.316 1.620 10 0 ADAEHO C[C@H]1CN(CCCF)C[C@H](C)C1[NH3+] 642857506 573167275 /nfs/dbraw/zinc/16/72/75/573167275.db2.gz RKVSKYRYGYWOOF-IUCAKERBSA-N 1 3 188.290 1.261 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@H](CC)CNC 259352822 573167724 /nfs/dbraw/zinc/16/77/24/573167724.db2.gz TZLUIWYCSJINIH-NXEZZACHSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H](CN)C(C)C 259352582 573167737 /nfs/dbraw/zinc/16/77/37/573167737.db2.gz JWEGXEZUFYWRNP-IUCAKERBSA-N 1 3 158.289 1.345 10 0 ADAEHO CCCC[NH2+]C[C@@H](CNC)C(C)C 258561818 573169934 /nfs/dbraw/zinc/16/99/34/573169934.db2.gz BVDJHCRIFBVHAM-LLVKDONJSA-N 1 3 186.343 1.868 10 0 ADAEHO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCCN(C)C2)O1 258561754 573168813 /nfs/dbraw/zinc/16/88/13/573168813.db2.gz OYAYOZSOMYOGPR-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1C[NH2+][C@](C)([C@H]2CCCN(C)C2)O1 258561765 573169404 /nfs/dbraw/zinc/16/94/04/573169404.db2.gz OYAYOZSOMYOGPR-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H](CN)C(C)C 259352579 573169122 /nfs/dbraw/zinc/16/91/22/573169122.db2.gz JWEGXEZUFYWRNP-DTWKUNHWSA-N 1 3 158.289 1.345 10 0 ADAEHO CNCC1(C[NH2+]C2CCCCC2)CC1 258563433 573169279 /nfs/dbraw/zinc/16/92/79/573169279.db2.gz CCAAKQJMDRMEFA-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CN1CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)O1 258561992 573170148 /nfs/dbraw/zinc/17/01/48/573170148.db2.gz PAKZXSBUUHPSNW-NXEZZACHSA-N 1 3 198.310 1.195 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@@H](CC)CNC 259352832 573170206 /nfs/dbraw/zinc/17/02/06/573170206.db2.gz TZLUIWYCSJINIH-VHSXEESVSA-N 1 3 172.316 1.620 10 0 ADAEHO C[C@@H]1C[NH2+][C@](C)([C@@H]2CCCN(C)C2)O1 258561758 573170635 /nfs/dbraw/zinc/17/06/35/573170635.db2.gz OYAYOZSOMYOGPR-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](N)c1ccccc1C 259601646 573171039 /nfs/dbraw/zinc/17/10/39/573171039.db2.gz XBUPWTUFFPWDSY-CMPLNLGQSA-N 1 3 192.306 1.980 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](N)c1ccccc1C 259601650 573171051 /nfs/dbraw/zinc/17/10/51/573171051.db2.gz XBUPWTUFFPWDSY-JQWIXIFHSA-N 1 3 192.306 1.980 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](N)c1ccccc1C 259601660 573171439 /nfs/dbraw/zinc/17/14/39/573171439.db2.gz XBUPWTUFFPWDSY-ZYHUDNBSSA-N 1 3 192.306 1.980 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](N)c1ccccc1C 259601655 573171478 /nfs/dbraw/zinc/17/14/78/573171478.db2.gz XBUPWTUFFPWDSY-PWSUYJOCSA-N 1 3 192.306 1.980 10 0 ADAEHO CC[C@@H]1[C@H](CN)CCCC[N@@H+]1CC 238298390 573171631 /nfs/dbraw/zinc/17/16/31/573171631.db2.gz OCRGXHDBMAYJRN-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1[C@H](CN)CCCC[N@H+]1CC 238298390 573171636 /nfs/dbraw/zinc/17/16/36/573171636.db2.gz OCRGXHDBMAYJRN-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C1CC1)[NH+]1CCC(N)CC1 308508612 573171943 /nfs/dbraw/zinc/17/19/43/573171943.db2.gz AZWWGSDKOWOVMH-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO NCC1(C[NH2+][C@H]2CC23CC3)CCC1 715573560 573171972 /nfs/dbraw/zinc/17/19/72/573171972.db2.gz FLTWDPRAWFNLEK-VIFPVBQESA-N 1 3 180.295 1.258 10 0 ADAEHO [NH3+]CC1(CN[C@H]2CC23CC3)CCC1 715573560 573171977 /nfs/dbraw/zinc/17/19/77/573171977.db2.gz FLTWDPRAWFNLEK-VIFPVBQESA-N 1 3 180.295 1.258 10 0 ADAEHO C[NH2+]CC1([C@H](N)C2CCC2)CCC1 259355074 573172657 /nfs/dbraw/zinc/17/26/57/573172657.db2.gz JYGHASWOIFVSDW-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO CCC[C@H](C1CC1)[NH+]1CCC(N)CC1 308508611 573173021 /nfs/dbraw/zinc/17/30/21/573173021.db2.gz AZWWGSDKOWOVMH-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+]CC1([C@@H](N)C2CCC2)CCC1 259355071 573173257 /nfs/dbraw/zinc/17/32/57/573173257.db2.gz JYGHASWOIFVSDW-JTQLQIEISA-N 1 3 182.311 1.504 10 0 ADAEHO Cc1ccc([C@]2(CC[NH3+])CCN2)cc1 258237781 573173395 /nfs/dbraw/zinc/17/33/95/573173395.db2.gz PPBIYDDVFJINBO-LBPRGKRZSA-N 1 3 190.290 1.532 10 0 ADAEHO Cc1ccc([C@]2(CCN)CC[NH2+]2)cc1 258237781 573173400 /nfs/dbraw/zinc/17/34/00/573173400.db2.gz PPBIYDDVFJINBO-LBPRGKRZSA-N 1 3 190.290 1.532 10 0 ADAEHO Cc1ccc([C@@]2(CC[NH3+])CCN2)cc1 258237776 573173592 /nfs/dbraw/zinc/17/35/92/573173592.db2.gz PPBIYDDVFJINBO-GFCCVEGCSA-N 1 3 190.290 1.532 10 0 ADAEHO Cc1ccc([C@@]2(CCN)CC[NH2+]2)cc1 258237776 573173597 /nfs/dbraw/zinc/17/35/97/573173597.db2.gz PPBIYDDVFJINBO-GFCCVEGCSA-N 1 3 190.290 1.532 10 0 ADAEHO C[NH2+]CCCc1ccc2c(c1)CNC2 257957818 573173598 /nfs/dbraw/zinc/17/35/98/573173598.db2.gz CSEZDRJLTBNQKN-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO CNCCC[NH2+]CC[C@@H]1C=CCC1 129002939 573174031 /nfs/dbraw/zinc/17/40/31/573174031.db2.gz XNIKPAWVJGURIN-LLVKDONJSA-N 1 3 182.311 1.542 10 0 ADAEHO C(CN[C@@H]1CC12CC2)C[NH2+]C1CC1 715577169 573174288 /nfs/dbraw/zinc/17/42/88/573174288.db2.gz WFSWPILXMPAOCG-SNVBAGLBSA-N 1 3 180.295 1.271 10 0 ADAEHO C(CNC1CC1)C[NH2+][C@@H]1CC12CC2 715577169 573174294 /nfs/dbraw/zinc/17/42/94/573174294.db2.gz WFSWPILXMPAOCG-SNVBAGLBSA-N 1 3 180.295 1.271 10 0 ADAEHO NCC1(C[NH2+][C@@H]2CC23CC3)CCC1 715573552 573174877 /nfs/dbraw/zinc/17/48/77/573174877.db2.gz FLTWDPRAWFNLEK-SECBINFHSA-N 1 3 180.295 1.258 10 0 ADAEHO [NH3+]CC1(CN[C@@H]2CC23CC3)CCC1 715573552 573174880 /nfs/dbraw/zinc/17/48/80/573174880.db2.gz FLTWDPRAWFNLEK-SECBINFHSA-N 1 3 180.295 1.258 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@H](CC)CNC 259352837 573175384 /nfs/dbraw/zinc/17/53/84/573175384.db2.gz TZLUIWYCSJINIH-ZJUUUORDSA-N 1 3 172.316 1.620 10 0 ADAEHO CNCCC[NH2+]CC[C@H]1C=CCC1 129002704 573175357 /nfs/dbraw/zinc/17/53/57/573175357.db2.gz XNIKPAWVJGURIN-NSHDSACASA-N 1 3 182.311 1.542 10 0 ADAEHO [NH3+][C@H]1CC[C@](F)(CN2CCCC2)C1 257963784 573175521 /nfs/dbraw/zinc/17/55/21/573175521.db2.gz XQPVWVHKVFWLTK-VHSXEESVSA-N 1 3 186.274 1.302 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN1CC=CC1 308294033 573177545 /nfs/dbraw/zinc/17/75/45/573177545.db2.gz QBGFFUNLNCBTOF-NSHDSACASA-N 1 3 182.311 1.479 10 0 ADAEHO C[NH2+]C[C@H](C)NCC[C@H]1C=CCC1 128978762 573178284 /nfs/dbraw/zinc/17/82/84/573178284.db2.gz DCHZCSJQRRWUFV-QWRGUYRKSA-N 1 3 182.311 1.540 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@]1(C)CN[C@@H]1CC12CC2 715582556 573178400 /nfs/dbraw/zinc/17/84/00/573178400.db2.gz ATVSSABUZUNMJL-MXWKQRLJSA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@]1(C)CN[C@H]1CC12CC2 715582559 573178415 /nfs/dbraw/zinc/17/84/15/573178415.db2.gz ATVSSABUZUNMJL-OUAUKWLOSA-N 1 3 194.322 1.374 10 0 ADAEHO [NH3+][C@H]1CC[C@@](F)(CN2CCCC2)C1 257963781 573178579 /nfs/dbraw/zinc/17/85/79/573178579.db2.gz XQPVWVHKVFWLTK-UWVGGRQHSA-N 1 3 186.274 1.302 10 0 ADAEHO C[NH2+]C[C@H](C)NCC[C@@H]1C=CCC1 128979173 573179984 /nfs/dbraw/zinc/17/99/84/573179984.db2.gz DCHZCSJQRRWUFV-WDEREUQCSA-N 1 3 182.311 1.540 10 0 ADAEHO CC(C)C[C@H](C[NH3+])CN1CC=CC1 308294032 573179994 /nfs/dbraw/zinc/17/99/94/573179994.db2.gz QBGFFUNLNCBTOF-LLVKDONJSA-N 1 3 182.311 1.479 10 0 ADAEHO CN1CCC[C@H]2C[NH2+]CCC[C@@H]21 238305721 573180002 /nfs/dbraw/zinc/18/00/02/573180002.db2.gz CHIXSJOCNPNRMA-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCNCC[C@H]1C 259360020 573180035 /nfs/dbraw/zinc/18/00/35/573180035.db2.gz KFNRJNOBHXIARD-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCNCC[C@H]1C 259360020 573180038 /nfs/dbraw/zinc/18/00/38/573180038.db2.gz KFNRJNOBHXIARD-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNC[C@H]([NH3+])C1CCCCC1 259356490 573180083 /nfs/dbraw/zinc/18/00/83/573180083.db2.gz MCQKWAAADYIWEP-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CN[C@H](c1cc[nH]c1)[C@@H](C[NH3+])C(C)C 259357644 573180233 /nfs/dbraw/zinc/18/02/33/573180233.db2.gz UFOYRLMRQGHTFP-WDEREUQCSA-N 1 3 195.310 1.506 10 0 ADAEHO C[C@H]1CCC[N@@H+](CCC(C)(C)N)C1 82772827 573180808 /nfs/dbraw/zinc/18/08/08/573180808.db2.gz SPPUNFSLTYHXMP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCCN(CCC(C)(C)[NH3+])C1 82772827 573180811 /nfs/dbraw/zinc/18/08/11/573180811.db2.gz SPPUNFSLTYHXMP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CC[C@H]2CNCC[C@H]2[N@@H+]1C 251587503 573180529 /nfs/dbraw/zinc/18/05/29/573180529.db2.gz CEUNHBLRICLKKZ-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@H]2CNCC[C@H]2[N@H+]1C 251587503 573180533 /nfs/dbraw/zinc/18/05/33/573180533.db2.gz CEUNHBLRICLKKZ-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)=CC[C@H]([NH3+])CN[C@@H]1CC12CC2 715586162 573180582 /nfs/dbraw/zinc/18/05/82/573180582.db2.gz WXMIEXWPVGUODJ-WDEREUQCSA-N 1 3 194.322 1.812 10 0 ADAEHO [NH3+][C@@H]1CC[C@@](F)(CN2CCCC2)C1 257963788 573180759 /nfs/dbraw/zinc/18/07/59/573180759.db2.gz XQPVWVHKVFWLTK-ZJUUUORDSA-N 1 3 186.274 1.302 10 0 ADAEHO C[C@H]1CCC[N@H+](CCC(C)(C)N)C1 82772827 573180801 /nfs/dbraw/zinc/18/08/01/573180801.db2.gz SPPUNFSLTYHXMP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H]2CNCC[C@H]2[N@H+]1C 251587514 573181421 /nfs/dbraw/zinc/18/14/21/573181421.db2.gz CEUNHBLRICLKKZ-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@H](c1cc[nH]c1)[C@H](C[NH3+])C(C)C 259357628 573180851 /nfs/dbraw/zinc/18/08/51/573180851.db2.gz UFOYRLMRQGHTFP-GHMZBOCLSA-N 1 3 195.310 1.506 10 0 ADAEHO F[C@]1(C[NH2+]C2CCCC2)CCNC1 257962308 573180889 /nfs/dbraw/zinc/18/08/89/573180889.db2.gz XPKWAHWFFNPZQZ-SNVBAGLBSA-N 1 3 186.274 1.220 10 0 ADAEHO CN(CCC(C)(C)[NH3+])C1CC1 82772877 573181082 /nfs/dbraw/zinc/18/10/82/573181082.db2.gz HELXTQOUSHYMPY-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H](c1csc(C[NH3+])c1)N(C)C 257962154 573181127 /nfs/dbraw/zinc/18/11/27/573181127.db2.gz XMONIJKAZBWUSM-SSDOTTSWSA-N 1 3 184.308 1.829 10 0 ADAEHO CCC[NH2+]CCC(C)(C)N 82773038 573181185 /nfs/dbraw/zinc/18/11/85/573181185.db2.gz NZPKDAWJEBBMPV-UHFFFAOYSA-N 1 3 144.262 1.113 10 0 ADAEHO CCCNCCC(C)(C)[NH3+] 82773038 573181192 /nfs/dbraw/zinc/18/11/92/573181192.db2.gz NZPKDAWJEBBMPV-UHFFFAOYSA-N 1 3 144.262 1.113 10 0 ADAEHO CN[C@@H](C)c1cnc([C@@H]2CCC[NH2+]2)o1 257961224 573181263 /nfs/dbraw/zinc/18/12/63/573181263.db2.gz GIKVBRGILLCREW-YUMQZZPRSA-N 1 3 195.266 1.380 10 0 ADAEHO CN[C@@H](c1cc[nH]c1)[C@@H](C[NH3+])C(C)C 259357639 573181308 /nfs/dbraw/zinc/18/13/08/573181308.db2.gz UFOYRLMRQGHTFP-QWRGUYRKSA-N 1 3 195.310 1.506 10 0 ADAEHO C/C=C\CN(C)C1CC[NH+](C)CC1 308296318 573182070 /nfs/dbraw/zinc/18/20/70/573182070.db2.gz KBTHSGTZSBOZCO-PLNGDYQASA-N 1 3 182.311 1.589 10 0 ADAEHO CCN(C)CCC(C)(C)[NH3+] 82772871 573181328 /nfs/dbraw/zinc/18/13/28/573181328.db2.gz XNBPYFDMEXIUDW-UHFFFAOYSA-N 1 3 144.262 1.066 10 0 ADAEHO C[C@@H]1C[C@@H]1NCCC(C)(C)[NH3+] 82773340 573181413 /nfs/dbraw/zinc/18/14/13/573181413.db2.gz QXQFMUNRIXITEX-SFYZADRCSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1CC[C@@H]2CNCC[C@H]2[N@@H+]1C 251587514 573181414 /nfs/dbraw/zinc/18/14/14/573181414.db2.gz CEUNHBLRICLKKZ-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@H](C)c1cnc([C@H]2CCC[NH2+]2)o1 257961217 573181601 /nfs/dbraw/zinc/18/16/01/573181601.db2.gz GIKVBRGILLCREW-HTQZYQBOSA-N 1 3 195.266 1.380 10 0 ADAEHO CN[C@@H](c1cc[nH]c1)[C@H](C[NH3+])C(C)C 259357635 573181894 /nfs/dbraw/zinc/18/18/94/573181894.db2.gz UFOYRLMRQGHTFP-MNOVXSKESA-N 1 3 195.310 1.506 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1CCC(C)(C)N 82772812 573182310 /nfs/dbraw/zinc/18/23/10/573182310.db2.gz DMQCZLHKHYFEMR-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1CCC(C)(C)N 82772812 573182317 /nfs/dbraw/zinc/18/23/17/573182317.db2.gz DMQCZLHKHYFEMR-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1CCCCN1CCC(C)(C)[NH3+] 82772812 573182321 /nfs/dbraw/zinc/18/23/21/573182321.db2.gz DMQCZLHKHYFEMR-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)=CC[C@@H]([NH3+])CN[C@H]1CC12CC2 715586158 573182654 /nfs/dbraw/zinc/18/26/54/573182654.db2.gz WXMIEXWPVGUODJ-MNOVXSKESA-N 1 3 194.322 1.812 10 0 ADAEHO CC(C)N(C)CCC(C)(C)[NH3+] 82772843 573182515 /nfs/dbraw/zinc/18/25/15/573182515.db2.gz DQZXBWPPTXKNCJ-UHFFFAOYSA-N 1 3 158.289 1.454 10 0 ADAEHO CC(C)[NH2+]CCC(C)(C)N 82773043 573182831 /nfs/dbraw/zinc/18/28/31/573182831.db2.gz ANKWRVSWTAWBKD-UHFFFAOYSA-N 1 3 144.262 1.112 10 0 ADAEHO CC(C)NCCC(C)(C)[NH3+] 82773043 573182840 /nfs/dbraw/zinc/18/28/40/573182840.db2.gz ANKWRVSWTAWBKD-UHFFFAOYSA-N 1 3 144.262 1.112 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCNCC[C@H]1C 259360009 573184737 /nfs/dbraw/zinc/18/47/37/573184737.db2.gz KFNRJNOBHXIARD-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)([NH3+])CCNCCC(F)(F)F 82773397 573185576 /nfs/dbraw/zinc/18/55/76/573185576.db2.gz GWDPANMTIFQGED-UHFFFAOYSA-N 1 3 198.232 1.656 10 0 ADAEHO C[C@@H]1C[C@H]1NCCC(C)(C)[NH3+] 82773342 573184686 /nfs/dbraw/zinc/18/46/86/573184686.db2.gz QXQFMUNRIXITEX-HTQZYQBOSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCNCC[C@H]1C 259360009 573184727 /nfs/dbraw/zinc/18/47/27/573184727.db2.gz KFNRJNOBHXIARD-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C)c1cnc([C@H]2CCC[NH2+]2)o1 257961220 573184936 /nfs/dbraw/zinc/18/49/36/573184936.db2.gz GIKVBRGILLCREW-JGVFFNPUSA-N 1 3 195.266 1.380 10 0 ADAEHO CCN(CCOC)CCC(C)(C)[NH3+] 82773156 573185057 /nfs/dbraw/zinc/18/50/57/573185057.db2.gz UAEQTEJGUFRVMT-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO CC(C)=CC[C@@H]([NH3+])CN[C@@H]1CC12CC2 715586152 573185098 /nfs/dbraw/zinc/18/50/98/573185098.db2.gz WXMIEXWPVGUODJ-GHMZBOCLSA-N 1 3 194.322 1.812 10 0 ADAEHO C[C@H]1C[C@H]1NCCC(C)(C)[NH3+] 82773343 573185252 /nfs/dbraw/zinc/18/52/52/573185252.db2.gz QXQFMUNRIXITEX-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1CCC(C)(C)N 82772813 573185706 /nfs/dbraw/zinc/18/57/06/573185706.db2.gz DMQCZLHKHYFEMR-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCCC[N@H+]1CCC(C)(C)N 82772813 573185711 /nfs/dbraw/zinc/18/57/11/573185711.db2.gz DMQCZLHKHYFEMR-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCCCN1CCC(C)(C)[NH3+] 82772813 573185724 /nfs/dbraw/zinc/18/57/24/573185724.db2.gz DMQCZLHKHYFEMR-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H](C)[C@@H]1C 224671108 573185772 /nfs/dbraw/zinc/18/57/72/573185772.db2.gz LCDSTKRZGDHNES-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H](C)[C@@H]1C 224671108 573185776 /nfs/dbraw/zinc/18/57/76/573185776.db2.gz LCDSTKRZGDHNES-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+]1CC[C@@H](CN)C1(C)C 259362963 573187564 /nfs/dbraw/zinc/18/75/64/573187564.db2.gz KIRPTFHRWGYSRB-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CC[C@@H](CN)C1(C)C 259362963 573187567 /nfs/dbraw/zinc/18/75/67/573187567.db2.gz KIRPTFHRWGYSRB-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CN1CC[C@@H]([NH3+])CC12CCCCC2 238306083 573188082 /nfs/dbraw/zinc/18/80/82/573188082.db2.gz RBEYPFDOISSKMN-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1C2(CC2)C12CC2 715614823 573188254 /nfs/dbraw/zinc/18/82/54/573188254.db2.gz ABDKZEQBRIAWEW-VIFPVBQESA-N 1 3 194.322 1.504 10 0 ADAEHO CC[C@@H](C[NH3+])CNC1C2(CC2)C12CC2 715614823 573188261 /nfs/dbraw/zinc/18/82/61/573188261.db2.gz ABDKZEQBRIAWEW-VIFPVBQESA-N 1 3 194.322 1.504 10 0 ADAEHO NCCC[NH2+][C@H]1CC2CCC1CC2 308296522 573188524 /nfs/dbraw/zinc/18/85/24/573188524.db2.gz VXWDLQHMYXVZPQ-ILDUYXDCSA-N 1 3 182.311 1.504 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@H]1CCN(C)C1 74310690 573188628 /nfs/dbraw/zinc/18/86/28/573188628.db2.gz OEBDBXYQIKEWLW-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H]1C[NH2+]C[C@](C)(CC)[C@@H]1N 142125798 573189549 /nfs/dbraw/zinc/18/95/49/573189549.db2.gz BLYBATJMKNZTLN-BBBLOLIVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H]1CNC[C@](C)(CC)[C@@H]1[NH3+] 142125798 573189554 /nfs/dbraw/zinc/18/95/54/573189554.db2.gz BLYBATJMKNZTLN-BBBLOLIVSA-N 1 3 170.300 1.359 10 0 ADAEHO CN1CCC[C@@H]2C[NH2+]CCC[C@@H]21 238302163 573190152 /nfs/dbraw/zinc/19/01/52/573190152.db2.gz CHIXSJOCNPNRMA-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CN(C)CCC1([NH3+])CCCCC1 82777066 573190171 /nfs/dbraw/zinc/19/01/71/573190171.db2.gz QLWAEQZTSJMKDX-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO C[NH+](C)[C@H]1CCN[C@H](C2CC2)C1 238302154 573190334 /nfs/dbraw/zinc/19/03/34/573190334.db2.gz FEHUPILXCDGGJB-UWVGGRQHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](N)C[N@H+](C)C1 74310654 573190513 /nfs/dbraw/zinc/19/05/13/573190513.db2.gz PXLPPNNLSMKJKF-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](N)C[N@@H+](C)C1 74310654 573190518 /nfs/dbraw/zinc/19/05/18/573190518.db2.gz PXLPPNNLSMKJKF-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CCCCCN1C[C@@H]([NH3+])CC1(C)C 259363032 573190676 /nfs/dbraw/zinc/19/06/76/573190676.db2.gz KJJGUOVCWSEHFI-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCCCCN1C[C@H]([NH3+])CC1(C)C 259363033 573190736 /nfs/dbraw/zinc/19/07/36/573190736.db2.gz KJJGUOVCWSEHFI-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[NH2+]CC1([C@H](N)CC(C)C)CCC1 259362363 573190763 /nfs/dbraw/zinc/19/07/63/573190763.db2.gz KFKAVGYMQDHYLI-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO Cc1ccccc1[C@H]([NH3+])C1(CN)CC1 259362332 573190796 /nfs/dbraw/zinc/19/07/96/573190796.db2.gz KFBXGBGFHATODJ-NSHDSACASA-N 1 3 190.290 1.734 10 0 ADAEHO CC[C@@H]1C[NH2+]C[C@@](C)(CC)[C@@H]1N 142125376 573190853 /nfs/dbraw/zinc/19/08/53/573190853.db2.gz BLYBATJMKNZTLN-OPRDCNLKSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H]1CNC[C@@](C)(CC)[C@@H]1[NH3+] 142125376 573190862 /nfs/dbraw/zinc/19/08/62/573190862.db2.gz BLYBATJMKNZTLN-OPRDCNLKSA-N 1 3 170.300 1.359 10 0 ADAEHO C[NH2+]CC1([C@@H](N)CC(C)C)CCC1 259362360 573190872 /nfs/dbraw/zinc/19/08/72/573190872.db2.gz KFKAVGYMQDHYLI-JTQLQIEISA-N 1 3 184.327 1.750 10 0 ADAEHO CN1CCC[C@H]1[C@@]1(C)CC[NH2+]C1 258572490 573191028 /nfs/dbraw/zinc/19/10/28/573191028.db2.gz RSUGQFIGDFCIPM-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO Cc1ccccc1[C@@H]([NH3+])C1(CN)CC1 259362327 573192194 /nfs/dbraw/zinc/19/21/94/573192194.db2.gz KFBXGBGFHATODJ-LLVKDONJSA-N 1 3 190.290 1.734 10 0 ADAEHO CC1([NH+]2CCC(N)CC2)CCCC1 82785581 573191610 /nfs/dbraw/zinc/19/16/10/573191610.db2.gz ZIEUOBNOULMMLB-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[N@@H+]1CC[C@H](CN)C1(C)C 259362961 573191628 /nfs/dbraw/zinc/19/16/28/573191628.db2.gz KIRPTFHRWGYSRB-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CC[C@H](CN)C1(C)C 259362961 573191632 /nfs/dbraw/zinc/19/16/32/573191632.db2.gz KIRPTFHRWGYSRB-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1([NH2+]C[C@H]2CCCN2)CCCC1 82785792 573191859 /nfs/dbraw/zinc/19/18/59/573191859.db2.gz WEJSJQDWYOOREN-SNVBAGLBSA-N 1 3 182.311 1.661 10 0 ADAEHO CC(C)C[C@H]1C[C@@H](N)C[N@H+](C)C1 74310658 573191997 /nfs/dbraw/zinc/19/19/97/573191997.db2.gz PXLPPNNLSMKJKF-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@H]1C[C@@H](N)C[N@@H+](C)C1 74310658 573192000 /nfs/dbraw/zinc/19/20/00/573192000.db2.gz PXLPPNNLSMKJKF-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@H]1CCN(C)C1 74310691 573192122 /nfs/dbraw/zinc/19/21/22/573192122.db2.gz OEBDBXYQIKEWLW-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CN1CCC[C@@H]1[C@]1(C)CC[NH2+]C1 258572484 573192241 /nfs/dbraw/zinc/19/22/41/573192241.db2.gz RSUGQFIGDFCIPM-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNCCC[NH2+]C1(C)CCCC1 82785906 573192530 /nfs/dbraw/zinc/19/25/30/573192530.db2.gz YFWSCYANMAPRAO-UHFFFAOYSA-N 1 3 170.300 1.518 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@H](N)CC[N@@H+]1C 74310685 573193145 /nfs/dbraw/zinc/19/31/45/573193145.db2.gz QGZHOGWFZWBITJ-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@H](N)CC[N@H+]1C 74310685 573193152 /nfs/dbraw/zinc/19/31/52/573193152.db2.gz QGZHOGWFZWBITJ-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@H]1C[C@H]([NH3+])CCN1C 74310685 573193162 /nfs/dbraw/zinc/19/31/62/573193162.db2.gz QGZHOGWFZWBITJ-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@H]1CCN[C@@H](C2CC2)C1 238302139 573193186 /nfs/dbraw/zinc/19/31/86/573193186.db2.gz FEHUPILXCDGGJB-VHSXEESVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1([NH2+]C[C@@H]2CCCN2)CCCC1 82785791 573193249 /nfs/dbraw/zinc/19/32/49/573193249.db2.gz WEJSJQDWYOOREN-JTQLQIEISA-N 1 3 182.311 1.661 10 0 ADAEHO CC1([N@@H+]2CC[C@@H](CN)C2)CCCC1 82785596 573193268 /nfs/dbraw/zinc/19/32/68/573193268.db2.gz SHGOUKJMDLDRFD-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CC1([N@H+]2CC[C@@H](CN)C2)CCCC1 82785596 573193275 /nfs/dbraw/zinc/19/32/75/573193275.db2.gz SHGOUKJMDLDRFD-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@H](N)C[N@H+](C)C1 74310661 573193288 /nfs/dbraw/zinc/19/32/88/573193288.db2.gz RXEQELZGERVOJZ-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@H](N)C[N@@H+](C)C1 74310661 573193295 /nfs/dbraw/zinc/19/32/95/573193295.db2.gz RXEQELZGERVOJZ-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[NH2+]CCCNC[C@@H](CC)OC 308299546 573193365 /nfs/dbraw/zinc/19/33/65/573193365.db2.gz JOUDMPAEFLVZHW-SNVBAGLBSA-N 1 3 188.315 1.001 10 0 ADAEHO CC(C)C[C@H]1C[C@H]([NH3+])CCN1C 74310677 573193490 /nfs/dbraw/zinc/19/34/90/573193490.db2.gz JZNPJBWSOSUVQO-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@H]1C[C@H](N)CC[N@@H+]1C 74310677 573193492 /nfs/dbraw/zinc/19/34/92/573193492.db2.gz JZNPJBWSOSUVQO-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@H]1C[C@H](N)CC[N@H+]1C 74310677 573193497 /nfs/dbraw/zinc/19/34/97/573193497.db2.gz JZNPJBWSOSUVQO-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH2+]CCNC1(C)CCCC1 82785917 573193788 /nfs/dbraw/zinc/19/37/88/573193788.db2.gz LSXDUYMKIOYFTF-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO CN[C@@H]1CC[N@H+](C[C@H](C)C2CC2)C1 252911489 573193836 /nfs/dbraw/zinc/19/38/36/573193836.db2.gz HNOZOOQDIWXRBE-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C[C@H](C)C2CC2)C1 252911489 573193842 /nfs/dbraw/zinc/19/38/42/573193842.db2.gz HNOZOOQDIWXRBE-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1C2(CC2)C12CC2 715614819 573193912 /nfs/dbraw/zinc/19/39/12/573193912.db2.gz ABDKZEQBRIAWEW-SECBINFHSA-N 1 3 194.322 1.504 10 0 ADAEHO CC[C@H](C[NH3+])CNC1C2(CC2)C12CC2 715614819 573193917 /nfs/dbraw/zinc/19/39/17/573193917.db2.gz ABDKZEQBRIAWEW-SECBINFHSA-N 1 3 194.322 1.504 10 0 ADAEHO C[C@H](CN)C[NH2+]C1(C)CCCC1 82785824 573193926 /nfs/dbraw/zinc/19/39/26/573193926.db2.gz FUFRTVBNZPREEI-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC1([N@@H+]2CC[C@H](CN)C2)CCCC1 82785595 573195222 /nfs/dbraw/zinc/19/52/22/573195222.db2.gz SHGOUKJMDLDRFD-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CC1([N@H+]2CC[C@H](CN)C2)CCCC1 82785595 573195226 /nfs/dbraw/zinc/19/52/26/573195226.db2.gz SHGOUKJMDLDRFD-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@H](N(C)C)C1(C[NH3+])CC1 259366719 573194692 /nfs/dbraw/zinc/19/46/92/573194692.db2.gz GBWOMNRPJIDABJ-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCc1nc(CC2C[NH2+]C2)c(C)[nH]1 257963813 573194740 /nfs/dbraw/zinc/19/47/40/573194740.db2.gz XRAUOQOIYZQJJR-UHFFFAOYSA-N 1 3 179.267 1.042 10 0 ADAEHO CC(C)(CC[NH3+])[C@H](N)c1ccccn1 259365182 573194820 /nfs/dbraw/zinc/19/48/20/573194820.db2.gz MKSLECXNADKQBC-SNVBAGLBSA-N 1 3 193.294 1.456 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@H](N)CC1(C)C 259365917 573195050 /nfs/dbraw/zinc/19/50/50/573195050.db2.gz KNNKUAOVRHXJKR-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@H](N)CC1(C)C 259365917 573195054 /nfs/dbraw/zinc/19/50/54/573195054.db2.gz KNNKUAOVRHXJKR-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CN[C@H](c1ccccc1)C(C)(C)C[NH3+] 259364899 573196266 /nfs/dbraw/zinc/19/62/66/573196266.db2.gz KHXZTHCHEVRHED-LLVKDONJSA-N 1 3 192.306 1.932 10 0 ADAEHO C[NH2+][C@H](c1ccccc1)C(C)(C)CN 259364899 573196272 /nfs/dbraw/zinc/19/62/72/573196272.db2.gz KHXZTHCHEVRHED-LLVKDONJSA-N 1 3 192.306 1.932 10 0 ADAEHO C[C@H](N)c1coc([C@@H]2CCC[NH2+]2)n1 257959283 573196450 /nfs/dbraw/zinc/19/64/50/573196450.db2.gz GFAKAQLMWWLENN-BQBZGAKWSA-N 1 3 181.239 1.119 10 0 ADAEHO CC[NH+](CC)[C@H]1CCCC[C@@H](N)C1 107301846 573196581 /nfs/dbraw/zinc/19/65/81/573196581.db2.gz JFLREFONIYKACM-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)CC1(C)C 259365915 573196606 /nfs/dbraw/zinc/19/66/06/573196606.db2.gz KNNKUAOVRHXJKR-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)CC1(C)C 259365915 573196609 /nfs/dbraw/zinc/19/66/09/573196609.db2.gz KNNKUAOVRHXJKR-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@@H](CNC)[C@H](CC)[NH2+]C 259364720 573196646 /nfs/dbraw/zinc/19/66/46/573196646.db2.gz UPZZAFFYDJHPHV-IUCAKERBSA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@H](N)c1coc([C@H]2CCC[NH2+]2)n1 257959286 573196701 /nfs/dbraw/zinc/19/67/01/573196701.db2.gz GFAKAQLMWWLENN-NKWVEPMBSA-N 1 3 181.239 1.119 10 0 ADAEHO C[C@@H](N)c1coc([C@@H]2CCC[NH2+]2)n1 257959291 573197019 /nfs/dbraw/zinc/19/70/19/573197019.db2.gz GFAKAQLMWWLENN-RQJHMYQMSA-N 1 3 181.239 1.119 10 0 ADAEHO CC[C@@H](CNC)[C@@H](CC)[NH2+]C 259364718 573197182 /nfs/dbraw/zinc/19/71/82/573197182.db2.gz UPZZAFFYDJHPHV-DTWKUNHWSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[C@H]([NH2+]C)[C@H](CC)CNC 259364717 573197322 /nfs/dbraw/zinc/19/73/22/573197322.db2.gz UPZZAFFYDJHPHV-BDAKNGLRSA-N 1 3 158.289 1.230 10 0 ADAEHO CC(C)(CC[NH3+])[C@@H](N)c1ccccn1 259365178 573197459 /nfs/dbraw/zinc/19/74/59/573197459.db2.gz MKSLECXNADKQBC-JTQLQIEISA-N 1 3 193.294 1.456 10 0 ADAEHO Cc1cc(NCCN(C)C)cc(C)[nH+]1 238309977 573197882 /nfs/dbraw/zinc/19/78/82/573197882.db2.gz HXPSNPZWLULIHO-UHFFFAOYSA-N 1 3 193.294 1.672 10 0 ADAEHO CC[C@H](CNC)[C@@H](CC)[NH2+]C 259364722 573198035 /nfs/dbraw/zinc/19/80/35/573198035.db2.gz UPZZAFFYDJHPHV-RKDXNWHRSA-N 1 3 158.289 1.230 10 0 ADAEHO CN1CCc2cccc(C[NH3+])c2C1 82789786 573198463 /nfs/dbraw/zinc/19/84/63/573198463.db2.gz XCEIOXMAMYNUGM-UHFFFAOYSA-N 1 3 176.263 1.133 10 0 ADAEHO C[NH2+][C@@H](c1ccccc1)C(C)(C)CN 259364902 573198660 /nfs/dbraw/zinc/19/86/60/573198660.db2.gz KHXZTHCHEVRHED-NSHDSACASA-N 1 3 192.306 1.932 10 0 ADAEHO CN[C@@H](c1ccccc1)C(C)(C)C[NH3+] 259364902 573198658 /nfs/dbraw/zinc/19/86/58/573198658.db2.gz KHXZTHCHEVRHED-NSHDSACASA-N 1 3 192.306 1.932 10 0 ADAEHO CCC[N@H+](C)[C@@H](C)C[C@@H](C)N 82801260 573201947 /nfs/dbraw/zinc/20/19/47/573201947.db2.gz VBMRHZFSFYBHCV-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[N@@H+](C)[C@@H](C)C[C@@H](C)N 82801260 573201951 /nfs/dbraw/zinc/20/19/51/573201951.db2.gz VBMRHZFSFYBHCV-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82801260 573201953 /nfs/dbraw/zinc/20/19/53/573201953.db2.gz VBMRHZFSFYBHCV-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CN[C@@H](C1CCCC1)C(C)(C)[NH2+]C 259371388 573201099 /nfs/dbraw/zinc/20/10/99/573201099.db2.gz LLNKQSKIIZNINC-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](N)c1ccc(F)cc1 259368061 573201233 /nfs/dbraw/zinc/20/12/33/573201233.db2.gz MNSXDZUVPFKKHL-XVKPBYJWSA-N 1 3 182.242 1.420 10 0 ADAEHO C1CCN2C[C@H]3[NH2+]CCC[C@H]3[C@@H]2C1 257746887 573201257 /nfs/dbraw/zinc/20/12/57/573201257.db2.gz YZKYHFOTARPRHN-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO CN1CCC(F)(C(C)(C)[NH3+])CC1 257969310 573201401 /nfs/dbraw/zinc/20/14/01/573201401.db2.gz YJTWHCPBDJTZAF-UHFFFAOYSA-N 1 3 174.263 1.158 10 0 ADAEHO C[NH2+]CC1([C@H](N)CC(C)C)CC1 259367662 573201457 /nfs/dbraw/zinc/20/14/57/573201457.db2.gz KLTDMWZOHZMGJZ-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO CNCC1([C@H]([NH3+])CC(C)C)CC1 259367662 573201462 /nfs/dbraw/zinc/20/14/62/573201462.db2.gz KLTDMWZOHZMGJZ-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@@H]1C[N@@H+](C2(C)CCCC2)CC[C@@H]1N 82802555 573201498 /nfs/dbraw/zinc/20/14/98/573201498.db2.gz SWFJFZUOLVGXDQ-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[N@H+](C2(C)CCCC2)CC[C@@H]1N 82802555 573201504 /nfs/dbraw/zinc/20/15/04/573201504.db2.gz SWFJFZUOLVGXDQ-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH+]1CCCC1 82800820 573201805 /nfs/dbraw/zinc/20/18/05/573201805.db2.gz HQISEKIDBMYQKP-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CC[NH+]([C@H](C)C[C@H](C)N)CC1 82800805 573202086 /nfs/dbraw/zinc/20/20/86/573202086.db2.gz PWFBZXKDMXCQOK-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+]1CCCC1(C)C 82802367 573202222 /nfs/dbraw/zinc/20/22/22/573202222.db2.gz FGIGMZYYARYYMT-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+]1CCCC1(C)C 82802367 573202232 /nfs/dbraw/zinc/20/22/32/573202232.db2.gz FGIGMZYYARYYMT-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH+]1CCCCCC1 82800954 573202267 /nfs/dbraw/zinc/20/22/67/573202267.db2.gz VSABLCQDPVXPKM-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH+]1CCCC1 82800819 573203722 /nfs/dbraw/zinc/20/37/22/573203722.db2.gz HQISEKIDBMYQKP-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CC[NH+]([C@@H](C)C[C@H](C)N)CC1 82800804 573203857 /nfs/dbraw/zinc/20/38/57/573203857.db2.gz PWFBZXKDMXCQOK-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCN[C@@H]1CC12CC2 715667612 573207627 /nfs/dbraw/zinc/20/76/27/573207627.db2.gz KVGHMXPJSJXWID-VHSXEESVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N(C)C1CC1 82801176 573203957 /nfs/dbraw/zinc/20/39/57/573203957.db2.gz VXYVRHVCXSDFKL-YUMQZZPRSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](N)c1ccc(F)cc1 259368051 573203988 /nfs/dbraw/zinc/20/39/88/573203988.db2.gz MNSXDZUVPFKKHL-GMSGAONNSA-N 1 3 182.242 1.420 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N(C)C1CC1 82801177 573204150 /nfs/dbraw/zinc/20/41/50/573204150.db2.gz VXYVRHVCXSDFKL-SFYZADRCSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH+]1CCCCC1 82800982 573204159 /nfs/dbraw/zinc/20/41/59/573204159.db2.gz ZHMUGBHUCLJSPB-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N1CCCCC1 82800982 573204163 /nfs/dbraw/zinc/20/41/63/573204163.db2.gz ZHMUGBHUCLJSPB-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH+]1CCCCC1 82800981 573204314 /nfs/dbraw/zinc/20/43/14/573204314.db2.gz ZHMUGBHUCLJSPB-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N1CCCCC1 82800981 573204318 /nfs/dbraw/zinc/20/43/18/573204318.db2.gz ZHMUGBHUCLJSPB-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N(C)C1CC1 82801174 573204364 /nfs/dbraw/zinc/20/43/64/573204364.db2.gz VXYVRHVCXSDFKL-JGVFFNPUSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H](C)C[C@@H](C)N 82802690 573204506 /nfs/dbraw/zinc/20/45/06/573204506.db2.gz MQGOGWOXMQIBSF-BDAKNGLRSA-N 1 3 158.289 1.452 10 0 ADAEHO CC(C)[N@H+](C)[C@@H](C)C[C@@H](C)N 82802690 573204512 /nfs/dbraw/zinc/20/45/12/573204512.db2.gz MQGOGWOXMQIBSF-BDAKNGLRSA-N 1 3 158.289 1.452 10 0 ADAEHO CC(C)N(C)[C@@H](C)C[C@@H](C)[NH3+] 82802690 573204515 /nfs/dbraw/zinc/20/45/15/573204515.db2.gz MQGOGWOXMQIBSF-BDAKNGLRSA-N 1 3 158.289 1.452 10 0 ADAEHO CC[NH2+][C@@H](C)CCN[C@@H]1CC12CC2 715668067 573206237 /nfs/dbraw/zinc/20/62/37/573206237.db2.gz MQNJIMVONUPFGP-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](N)[C@@H](F)[C@H]1CCC[N@H+](C)C1 257965457 573206334 /nfs/dbraw/zinc/20/63/34/573206334.db2.gz XXDSGZYXWRZATB-XHNCKOQMSA-N 1 3 174.263 1.014 10 0 ADAEHO C[C@H](N)[C@@H](F)[C@H]1CCC[N@@H+](C)C1 257965457 573206337 /nfs/dbraw/zinc/20/63/37/573206337.db2.gz XXDSGZYXWRZATB-XHNCKOQMSA-N 1 3 174.263 1.014 10 0 ADAEHO C[C@H](N)[C@@H](F)[C@@H]1CCC[N@H+](C)C1 257965455 573206511 /nfs/dbraw/zinc/20/65/11/573206511.db2.gz XXDSGZYXWRZATB-DJLDLDEBSA-N 1 3 174.263 1.014 10 0 ADAEHO C[C@H](N)[C@@H](F)[C@@H]1CCC[N@@H+](C)C1 257965455 573206514 /nfs/dbraw/zinc/20/65/14/573206514.db2.gz XXDSGZYXWRZATB-DJLDLDEBSA-N 1 3 174.263 1.014 10 0 ADAEHO CC[NH2+][C@H](C)CCN[C@H]1CC12CC2 715668070 573206663 /nfs/dbraw/zinc/20/66/63/573206663.db2.gz MQNJIMVONUPFGP-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](N)[C@H](F)[C@H]1CCC[N@H+](C)C1 257965454 573206678 /nfs/dbraw/zinc/20/66/78/573206678.db2.gz XXDSGZYXWRZATB-CIUDSAMLSA-N 1 3 174.263 1.014 10 0 ADAEHO C[C@H](N)[C@H](F)[C@H]1CCC[N@@H+](C)C1 257965454 573206681 /nfs/dbraw/zinc/20/66/81/573206681.db2.gz XXDSGZYXWRZATB-CIUDSAMLSA-N 1 3 174.263 1.014 10 0 ADAEHO CC(C)[C@H]([NH3+])CCN[C@H]1CC12CC2 715667614 573206707 /nfs/dbraw/zinc/20/67/07/573206707.db2.gz KVGHMXPJSJXWID-ZJUUUORDSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@H](C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238313177 573207853 /nfs/dbraw/zinc/20/78/53/573207853.db2.gz PMDGHGBMCAXGOL-YFKTTZPYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H](N)[C@H](F)[C@@H]1CCC[N@H+](C)C1 257965459 573207009 /nfs/dbraw/zinc/20/70/09/573207009.db2.gz XXDSGZYXWRZATB-YIZRAAEISA-N 1 3 174.263 1.014 10 0 ADAEHO C[C@H](N)[C@H](F)[C@@H]1CCC[N@@H+](C)C1 257965459 573207013 /nfs/dbraw/zinc/20/70/13/573207013.db2.gz XXDSGZYXWRZATB-YIZRAAEISA-N 1 3 174.263 1.014 10 0 ADAEHO CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238313177 573207857 /nfs/dbraw/zinc/20/78/57/573207857.db2.gz PMDGHGBMCAXGOL-YFKTTZPYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@@]2(C)NCCO2)C1 258252354 573209654 /nfs/dbraw/zinc/20/96/54/573209654.db2.gz AQBINTFXVVNOKU-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@@]2(C)NCCO2)C1 258252354 573209656 /nfs/dbraw/zinc/20/96/56/573209656.db2.gz AQBINTFXVVNOKU-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO C[NH+](C)[C@@H](CCN)C1CCCCC1 259373076 573209779 /nfs/dbraw/zinc/20/97/79/573209779.db2.gz GGYBRCSTLUZNNV-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CN(C)[C@@H](CC[NH3+])C1CCCCC1 259373076 573209782 /nfs/dbraw/zinc/20/97/82/573209782.db2.gz GGYBRCSTLUZNNV-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@]2(C)NCCO2)C1 258252357 573210336 /nfs/dbraw/zinc/21/03/36/573210336.db2.gz AQBINTFXVVNOKU-WDEREUQCSA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@]2(C)NCCO2)C1 258252357 573210341 /nfs/dbraw/zinc/21/03/41/573210341.db2.gz AQBINTFXVVNOKU-WDEREUQCSA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@@H](N)c1csc([C@@H]2CCC[NH2+]2)n1 257971665 573210355 /nfs/dbraw/zinc/21/03/55/573210355.db2.gz HALGPAIDCWQZFZ-RQJHMYQMSA-N 1 3 197.307 1.587 10 0 ADAEHO C[NH+](C)[C@H](CCN)C1CCCCC1 259373074 573210437 /nfs/dbraw/zinc/21/04/37/573210437.db2.gz GGYBRCSTLUZNNV-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CN(C)[C@H](CC[NH3+])C1CCCCC1 259373074 573210439 /nfs/dbraw/zinc/21/04/39/573210439.db2.gz GGYBRCSTLUZNNV-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)CC1(C)C 259376667 573210582 /nfs/dbraw/zinc/21/05/82/573210582.db2.gz LAUCCYHBLSKGMH-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](CN)CC1(C)C 259376667 573210585 /nfs/dbraw/zinc/21/05/85/573210585.db2.gz LAUCCYHBLSKGMH-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H](CN)CC1(C)C 259376670 573210953 /nfs/dbraw/zinc/21/09/53/573210953.db2.gz LAUCCYHBLSKGMH-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H](CN)CC1(C)C 259376670 573210958 /nfs/dbraw/zinc/21/09/58/573210958.db2.gz LAUCCYHBLSKGMH-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)(N)c1cccc(C(C)(C)[NH3+])n1 115719573 573211380 /nfs/dbraw/zinc/21/13/80/573211380.db2.gz PXFOCZRTENWLFG-UHFFFAOYSA-N 1 3 193.294 1.469 10 0 ADAEHO CN[C@@H](C[C@H](C)[NH3+])c1ccc(C)cc1 259603615 573214005 /nfs/dbraw/zinc/21/40/05/573214005.db2.gz XDKWBVSPMMLDHD-JQWIXIFHSA-N 1 3 192.306 1.993 10 0 ADAEHO CN[C@@H](C[C@@H](C)[NH3+])c1ccc(C)cc1 259603619 573214166 /nfs/dbraw/zinc/21/41/66/573214166.db2.gz XDKWBVSPMMLDHD-PWSUYJOCSA-N 1 3 192.306 1.993 10 0 ADAEHO CCCN(C)C[C@H](C[NH2+]C)C(C)C 259036747 573215725 /nfs/dbraw/zinc/21/57/25/573215725.db2.gz QXMKOPFDRYUNGC-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CCC[N@H+](C)C[C@H](CNC)C(C)C 259036747 573215727 /nfs/dbraw/zinc/21/57/27/573215727.db2.gz QXMKOPFDRYUNGC-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CCC[N@@H+](C)C[C@H](CNC)C(C)C 259036747 573215732 /nfs/dbraw/zinc/21/57/32/573215732.db2.gz QXMKOPFDRYUNGC-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@@H]([NH3+])[C@H]1CN 256576080 573215751 /nfs/dbraw/zinc/21/57/51/573215751.db2.gz VGYMIFNRDLQBEN-HRDYMLBCSA-N 1 3 170.300 1.345 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](NC[C@@H]2CC2(F)F)C1 717277738 573215894 /nfs/dbraw/zinc/21/58/94/573215894.db2.gz OVACBKWRMULPFQ-XLPZGREQSA-N 1 3 190.237 1.111 10 0 ADAEHO CN(C)[C@H](CCC[NH3+])c1ccncc1 259377970 573217706 /nfs/dbraw/zinc/21/77/06/573217706.db2.gz GMGTYFGZBKSOKK-LLVKDONJSA-N 1 3 193.294 1.423 10 0 ADAEHO CCN(C)C[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82832510 573218608 /nfs/dbraw/zinc/21/86/08/573218608.db2.gz WDHHAMJANANJQI-QCNOEVLYSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(=[NH2+])N1CC[C@H]2CC[C@@H](C1)N2C 85976011 573219864 /nfs/dbraw/zinc/21/98/64/573219864.db2.gz MIOMDEBIUAWSEE-ZJUUUORDSA-N 1 3 181.283 1.152 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@@H]([NH3+])[C@H]1CN(C)C 82832496 573219918 /nfs/dbraw/zinc/21/99/18/573219918.db2.gz JOEPMOLZCUTZJX-VPOLOUISSA-N 1 3 184.327 1.558 10 0 ADAEHO CN[C@H](C[NH2+]C1CC1)C1CCC1 259380723 573220187 /nfs/dbraw/zinc/22/01/87/573220187.db2.gz LXHLYERRUSEPTP-SNVBAGLBSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](N)c1ccc(Cl)cc1 259379341 573220220 /nfs/dbraw/zinc/22/02/20/573220220.db2.gz NDMSGAJACZBZGG-OIBJUYFYSA-N 1 3 198.697 1.935 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]([NH2+]C)C(C)C 259382352 573220266 /nfs/dbraw/zinc/22/02/66/573220266.db2.gz VWKJCJGRSLCVMM-MNOVXSKESA-N 1 3 186.343 1.722 10 0 ADAEHO CC[C@H](CNC)C[NH2+]C(C)C 258592772 573220271 /nfs/dbraw/zinc/22/02/71/573220271.db2.gz GNBMOKORMMZYKO-SECBINFHSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[NH+]1CCC([C@H]2N[C@@H](C)CO2)CC1 258487586 573220466 /nfs/dbraw/zinc/22/04/66/573220466.db2.gz LNDCYFABRLYYGA-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1CN(C)C 82832486 573220471 /nfs/dbraw/zinc/22/04/71/573220471.db2.gz IICMGKAOFSFFED-WISYIIOYSA-N 1 3 198.354 1.818 10 0 ADAEHO C[NH2+][C@@H]([C@H]1CCCNC1)C(C)(C)C 259382841 573220479 /nfs/dbraw/zinc/22/04/79/573220479.db2.gz LZLCTCDVXXSXKQ-UWVGGRQHSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H]1CCC[NH2+][C@@H]1CNC(C)(C)C 235549044 573220497 /nfs/dbraw/zinc/22/04/97/573220497.db2.gz WXQQRTIJODMAMM-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1C[C@](N)(C[NH3+])CC[C@H]1C 82837920 573223780 /nfs/dbraw/zinc/22/37/80/573223780.db2.gz FXZUJSBSNLCVFD-VGMNWLOBSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@@H](CN)[C@@H](C1CCC1)[NH+](C)C 259380728 573221229 /nfs/dbraw/zinc/22/12/29/573221229.db2.gz GQPNJPCZBUTTMW-ONGXEEELSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH+]1CCC([C@@H]2N[C@@H](C)CO2)CC1 258487557 573221261 /nfs/dbraw/zinc/22/12/61/573221261.db2.gz LNDCYFABRLYYGA-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO CNC[C@H]1CC[N@H+](CC(C)C)C1(C)C 259384056 573221335 /nfs/dbraw/zinc/22/13/35/573221335.db2.gz LITWAAGLRYWAOQ-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CC(C)C)C1(C)C 259384056 573221340 /nfs/dbraw/zinc/22/13/40/573221340.db2.gz LITWAAGLRYWAOQ-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](CC[NH3+])c1ccc(C)cc1C 259383952 573221482 /nfs/dbraw/zinc/22/14/82/573221482.db2.gz LBUQDQJEEPGKHI-GFCCVEGCSA-N 1 3 192.306 1.913 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN(C)C1(C)C 259384250 573221797 /nfs/dbraw/zinc/22/17/97/573221797.db2.gz LKFGSTUKXRFBFH-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+]1CCC([C@@H]2N[C@H](C)CO2)CC1 258487576 573222075 /nfs/dbraw/zinc/22/20/75/573222075.db2.gz LNDCYFABRLYYGA-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC(=[NH2+])N1CC[C@H]2CC[C@@H](C1)N2C 85976003 573222132 /nfs/dbraw/zinc/22/21/32/573222132.db2.gz OWDRNDSYXMSFSG-ZJUUUORDSA-N 1 3 195.310 1.542 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]([NH2+]C)C(C)C 259382358 573222252 /nfs/dbraw/zinc/22/22/52/573222252.db2.gz VWKJCJGRSLCVMM-QWRGUYRKSA-N 1 3 186.343 1.722 10 0 ADAEHO C[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@@H]1CN(C)C 82832484 573222299 /nfs/dbraw/zinc/22/22/99/573222299.db2.gz IICMGKAOFSFFED-NOOOWODRSA-N 1 3 198.354 1.818 10 0 ADAEHO C[C@H](C[NH3+])[C@H](N)c1ccc(Cl)cc1 259379343 573223330 /nfs/dbraw/zinc/22/33/30/573223330.db2.gz NDMSGAJACZBZGG-XCBNKYQSSA-N 1 3 198.697 1.935 10 0 ADAEHO CC[C@H](CN)[C@H](C1CCC1)[NH+](C)C 259380726 573223418 /nfs/dbraw/zinc/22/34/18/573223418.db2.gz GQPNJPCZBUTTMW-MWLCHTKSSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H]2N)C[C@@H]1C 86012200 573223653 /nfs/dbraw/zinc/22/36/53/573223653.db2.gz AQOFNWZHWADTLC-USZNOCQGSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H]2N)C[C@@H]1C 86012200 573223659 /nfs/dbraw/zinc/22/36/59/573223659.db2.gz AQOFNWZHWADTLC-USZNOCQGSA-N 1 3 196.338 1.702 10 0 ADAEHO CN[C@@H](C[NH2+]C1CC1)C1CCC1 259380721 573224441 /nfs/dbraw/zinc/22/44/41/573224441.db2.gz LXHLYERRUSEPTP-JTQLQIEISA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H](C)CCN)C[C@H]1C 86008521 573224446 /nfs/dbraw/zinc/22/44/46/573224446.db2.gz HPAWWRAPYFNOPN-BBBLOLIVSA-N 1 3 170.300 1.312 10 0 ADAEHO CN[C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 86009482 573226685 /nfs/dbraw/zinc/22/66/85/573226685.db2.gz JFHWBZPCTQODTI-OPRDCNLKSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCNC[C@@H]2C)C[C@@H]1C 86010240 573226342 /nfs/dbraw/zinc/22/63/42/573226342.db2.gz JAAZRZBBNBLYRD-NNYUYHANSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@@H]2C)C[C@@H]1C 86010240 573226346 /nfs/dbraw/zinc/22/63/46/573226346.db2.gz JAAZRZBBNBLYRD-NNYUYHANSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCNC[C@H]2C)C[C@@H]1C 86010239 573226430 /nfs/dbraw/zinc/22/64/30/573226430.db2.gz JAAZRZBBNBLYRD-WISYIIOYSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@H]2C)C[C@@H]1C 86010239 573226434 /nfs/dbraw/zinc/22/64/34/573226434.db2.gz JAAZRZBBNBLYRD-WISYIIOYSA-N 1 3 196.338 1.572 10 0 ADAEHO CN[C@H](C)C[NH+]1C[C@H](C)[C@@H](C)C1 86009480 573227524 /nfs/dbraw/zinc/22/75/24/573227524.db2.gz JFHWBZPCTQODTI-LPEHRKFASA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@H]([C@H]1CCC[N@H+](C)C1)N(C)C 259037926 573227270 /nfs/dbraw/zinc/22/72/70/573227270.db2.gz AQDGTXIJBXRNPW-ZJUUUORDSA-N 1 3 170.300 1.278 10 0 ADAEHO C[C@H]([C@H]1CCC[N@@H+](C)C1)N(C)C 259037926 573227275 /nfs/dbraw/zinc/22/72/75/573227275.db2.gz AQDGTXIJBXRNPW-ZJUUUORDSA-N 1 3 170.300 1.278 10 0 ADAEHO C[C@@H]1CN[C@H](C[C@@H]2CCC[N@@H+](C)C2)O1 258600253 573228130 /nfs/dbraw/zinc/22/81/30/573228130.db2.gz QRXNSISWCJHXDV-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO CN[C@@H](c1cccc(C)c1)[C@H](C)C[NH3+] 259386064 573228163 /nfs/dbraw/zinc/22/81/63/573228163.db2.gz LFZRCQZEKCTMIY-ZYHUDNBSSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@H]([C@@H]1CCC[N@H+](C)C1)N(C)C 259037923 573228347 /nfs/dbraw/zinc/22/83/47/573228347.db2.gz AQDGTXIJBXRNPW-NXEZZACHSA-N 1 3 170.300 1.278 10 0 ADAEHO C[C@H]([C@@H]1CCC[N@@H+](C)C1)N(C)C 259037923 573228351 /nfs/dbraw/zinc/22/83/51/573228351.db2.gz AQDGTXIJBXRNPW-NXEZZACHSA-N 1 3 170.300 1.278 10 0 ADAEHO CN[C@@H](c1cccc(C)c1)[C@@H](C)C[NH3+] 259386053 573231233 /nfs/dbraw/zinc/23/12/33/573231233.db2.gz LFZRCQZEKCTMIY-CMPLNLGQSA-N 1 3 192.306 1.850 10 0 ADAEHO N[C@H](CC[NH3+])c1ccc2c(c1)CCC2 259386541 573231419 /nfs/dbraw/zinc/23/14/19/573231419.db2.gz NJPNKEQLZNDXGX-GFCCVEGCSA-N 1 3 190.290 1.524 10 0 ADAEHO CC(C)[C@H](CN)[C@@H]([NH3+])C1CCCC1 259385831 573231646 /nfs/dbraw/zinc/23/16/46/573231646.db2.gz LDQGVWZTXFLNCI-QWRGUYRKSA-N 1 3 184.327 1.735 10 0 ADAEHO CN(C)C1C[C@@H]2CCC[C@H](C1)[NH2+]2 238322705 573231947 /nfs/dbraw/zinc/23/19/47/573231947.db2.gz RZXIRGOIQGPMAZ-ULKQDVFKSA-N 1 3 168.284 1.221 10 0 ADAEHO C[NH+](C)C1C[C@@H]2CCC[C@H](C1)N2 238322705 573231953 /nfs/dbraw/zinc/23/19/53/573231953.db2.gz RZXIRGOIQGPMAZ-ULKQDVFKSA-N 1 3 168.284 1.221 10 0 ADAEHO CNCc1cc2cc(C[NH3+])ccc2o1 257976334 573232051 /nfs/dbraw/zinc/23/20/51/573232051.db2.gz JCSRMVKNPPFBCF-UHFFFAOYSA-N 1 3 190.246 1.611 10 0 ADAEHO C[NH2+]CC1([C@@H](C)N(C)C)CCC1 259604100 573232696 /nfs/dbraw/zinc/23/26/96/573232696.db2.gz QPNFZWUXVRWPGF-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C)C1 132153757 573233288 /nfs/dbraw/zinc/23/32/88/573233288.db2.gz BMUNCHBUGIEIKE-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 132153757 573233294 /nfs/dbraw/zinc/23/32/94/573233294.db2.gz BMUNCHBUGIEIKE-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]Cc1c(C)sc(C)c1CN 238322516 573233457 /nfs/dbraw/zinc/23/34/57/573233457.db2.gz CKPVOKPHQAJRBS-UHFFFAOYSA-N 1 3 184.308 1.543 10 0 ADAEHO C[NH2+]CCc1ccc2c(c1)CNC2 258243426 573234185 /nfs/dbraw/zinc/23/41/85/573234185.db2.gz SMGOFIGEUCWNHD-UHFFFAOYSA-N 1 3 176.263 1.052 10 0 ADAEHO C[N@@H+]1C[C@H]2CCCC[C@H](C1)NC2 238323234 573233758 /nfs/dbraw/zinc/23/37/58/573233758.db2.gz AOFOKZBXMDCXEF-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1C[C@H]2CCCC[C@H](C1)NC2 238323234 573233761 /nfs/dbraw/zinc/23/37/61/573233761.db2.gz AOFOKZBXMDCXEF-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](CNC)[C@@H]1C 259387597 573234123 /nfs/dbraw/zinc/23/41/23/573234123.db2.gz WRLNGUWWAKYPCH-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](CNC)[C@@H]1C 259387597 573234128 /nfs/dbraw/zinc/23/41/28/573234128.db2.gz WRLNGUWWAKYPCH-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)(CN)C[NH2+]C[C@H]1CC=CCC1 308526913 573238075 /nfs/dbraw/zinc/23/80/75/573238075.db2.gz JKYYFHSARGUHGE-NSHDSACASA-N 1 3 196.338 1.917 10 0 ADAEHO C[N@@H+]1CCCN[C@@H](C(C)(C)C)C1 82855283 573238097 /nfs/dbraw/zinc/23/80/97/573238097.db2.gz SZLWIJJQVIDWIL-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[N@H+]1CCCN[C@@H](C(C)(C)C)C1 82855283 573238101 /nfs/dbraw/zinc/23/81/01/573238101.db2.gz SZLWIJJQVIDWIL-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CN1CC[C@@H]([NH3+])[C@@H](CC2CC2)C1 238324029 573238604 /nfs/dbraw/zinc/23/86/04/573238604.db2.gz ZVNRMMIZZCLYPS-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@H]([NH3+])c1ccc(CN)c(F)c1 238315602 573241353 /nfs/dbraw/zinc/24/13/53/573241353.db2.gz LZWMCSFZABHUTC-JTQLQIEISA-N 1 3 182.242 1.694 10 0 ADAEHO CC(C)OCC[N@H+](C)C(C)(C)CN 50090709 573240015 /nfs/dbraw/zinc/24/00/15/573240015.db2.gz QVFFBBPNPQMIFI-UHFFFAOYSA-N 1 3 188.315 1.081 10 0 ADAEHO CC(C)OCC[N@@H+](C)C(C)(C)CN 50090709 573240021 /nfs/dbraw/zinc/24/00/21/573240021.db2.gz QVFFBBPNPQMIFI-UHFFFAOYSA-N 1 3 188.315 1.081 10 0 ADAEHO C[NH2+]CC1([C@H](C)N(C)C)CCC1 259604107 573240027 /nfs/dbraw/zinc/24/00/27/573240027.db2.gz QPNFZWUXVRWPGF-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](NC)[C@@H]1CCCC[NH2+]1 259389952 573240105 /nfs/dbraw/zinc/24/01/05/573240105.db2.gz MHFOGWQHJVVVJY-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[C@](N)(C[NH3+])C1 82859978 573240198 /nfs/dbraw/zinc/24/01/98/573240198.db2.gz GNHDJRGXWLHZDA-IWSPIJDZSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CCC[C@](N)(C[NH3+])[C@@H]1C 82859984 573240247 /nfs/dbraw/zinc/24/02/47/573240247.db2.gz KXMFRBRTGLTBEP-HLTSFMKQSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@H](C)[NH2+]CC1(CNC)CCC1 258607301 573241878 /nfs/dbraw/zinc/24/18/78/573241878.db2.gz ICXJTVAWOSUVEF-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[C@@]1(N)C[NH3+] 82859976 573241898 /nfs/dbraw/zinc/24/18/98/573241898.db2.gz GNHDJRGXWLHZDA-HRDYMLBCSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)C1CC([NH2+]C[C@@H]2CCN2)C1 714659703 573241906 /nfs/dbraw/zinc/24/19/06/573241906.db2.gz MAXXQOXZUIEPEW-YVNMAJEFSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CCC[C@@](N)(C[NH3+])[C@@H]1C 82859986 573241937 /nfs/dbraw/zinc/24/19/37/573241937.db2.gz KXMFRBRTGLTBEP-IWSPIJDZSA-N 1 3 156.273 1.099 10 0 ADAEHO CCC(CC)CN(C)CCC(N)=[NH2+] 129156494 573241946 /nfs/dbraw/zinc/24/19/46/573241946.db2.gz JIUZSOJTLAPUND-UHFFFAOYSA-N 1 3 185.315 1.680 10 0 ADAEHO C[NH2+]C[C@H](C)CN[C@@H]1CC1(C)C 86070630 573242302 /nfs/dbraw/zinc/24/23/02/573242302.db2.gz DLVLQISFFLQHRS-DTWKUNHWSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH+](C)CCc1ccc2c(c1)CNC2 238315943 573242389 /nfs/dbraw/zinc/24/23/89/573242389.db2.gz IUPSZVZCJQHAJF-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO CCCC[NH2+]CC1(CNC)CC1 258608801 573243991 /nfs/dbraw/zinc/24/39/91/573243991.db2.gz IFQACLVMAPCLTM-UHFFFAOYSA-N 1 3 170.300 1.376 10 0 ADAEHO N[C@@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 82862923 573243882 /nfs/dbraw/zinc/24/38/82/573243882.db2.gz KKCXKEPOBRLACR-BQBZGAKWSA-N 1 3 196.216 1.395 10 0 ADAEHO CCC[C@@H](N)[C@@H](C[NH2+]C)C(C)C 259390171 573244819 /nfs/dbraw/zinc/24/48/19/573244819.db2.gz LJNJXBKTIMYJJM-VHSXEESVSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[N@H+](CCC(C)=O)C1CCNCC1 50157710 573244930 /nfs/dbraw/zinc/24/49/30/573244930.db2.gz NRBRTQJWLOHCJH-UHFFFAOYSA-N 1 3 198.310 1.039 10 0 ADAEHO CC[N@@H+](CCC(C)=O)C1CCNCC1 50157710 573244936 /nfs/dbraw/zinc/24/49/36/573244936.db2.gz NRBRTQJWLOHCJH-UHFFFAOYSA-N 1 3 198.310 1.039 10 0 ADAEHO C[C@H]([NH3+])CCc1ncc2ccccn12 259390947 573245029 /nfs/dbraw/zinc/24/50/29/573245029.db2.gz HGNNXSRRXXBLBI-VIFPVBQESA-N 1 3 189.262 1.614 10 0 ADAEHO C[C@H](CCN)[N@H+](C)CC1(C)CCC1 308320200 573245418 /nfs/dbraw/zinc/24/54/18/573245418.db2.gz APLTURMCMGJDEF-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)CC1(C)CCC1 308320200 573245425 /nfs/dbraw/zinc/24/54/25/573245425.db2.gz APLTURMCMGJDEF-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CC1(C)CCC1 308320957 573245369 /nfs/dbraw/zinc/24/53/69/573245369.db2.gz BBHFCRAPVLBLTH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)CC1(C)CCC1 308320957 573245374 /nfs/dbraw/zinc/24/53/74/573245374.db2.gz BBHFCRAPVLBLTH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)CC1(C)CCC1 308320957 573245377 /nfs/dbraw/zinc/24/53/77/573245377.db2.gz BBHFCRAPVLBLTH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CN(C)Cc1cc(F)ccc1C[NH3+] 82864962 573248434 /nfs/dbraw/zinc/24/84/34/573248434.db2.gz CVUUJUJAOGNWLM-UHFFFAOYSA-N 1 3 182.242 1.346 10 0 ADAEHO C[C@@H]1CO[C@](C)(C[C@H]2CC[N@H+](C)C2)N1 258247902 573248571 /nfs/dbraw/zinc/24/85/71/573248571.db2.gz ALBUTNQTTHJOMH-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@](C)(C[C@H]2CC[N@@H+](C)C2)N1 258247902 573248576 /nfs/dbraw/zinc/24/85/76/573248576.db2.gz ALBUTNQTTHJOMH-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@@](C)(C[C@@H]2CC[N@H+](C)C2)N1 258247936 573248717 /nfs/dbraw/zinc/24/87/17/573248717.db2.gz ALBUTNQTTHJOMH-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@H](C[NH3+])CNCc1ccc[nH]1 259048613 573248721 /nfs/dbraw/zinc/24/87/21/573248721.db2.gz RWGYUMIGCREVAH-SECBINFHSA-N 1 3 181.283 1.089 10 0 ADAEHO C[C@@H]1CO[C@@](C)(C[C@@H]2CC[N@@H+](C)C2)N1 258247936 573248724 /nfs/dbraw/zinc/24/87/24/573248724.db2.gz ALBUTNQTTHJOMH-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)CCN1 716636376 573248756 /nfs/dbraw/zinc/24/87/56/573248756.db2.gz NEUCCGHHJVHDHF-KXGXSXBTSA-N 1 3 194.322 1.515 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C2CC2)CC[NH2+]1 716636376 573248761 /nfs/dbraw/zinc/24/87/61/573248761.db2.gz NEUCCGHHJVHDHF-KXGXSXBTSA-N 1 3 194.322 1.515 10 0 ADAEHO CN[C@@]12C=C[C@@](C)(CC1)[C@@H]1C[NH2+]C[C@@H]12 238316813 573249188 /nfs/dbraw/zinc/24/91/88/573249188.db2.gz DPUOTIGBTNMLLP-RHYQMDGZSA-N 1 3 192.306 1.150 10 0 ADAEHO C[NH2+]C[C@@H](CNC1CCC1)C(C)C 259050343 573249794 /nfs/dbraw/zinc/24/97/94/573249794.db2.gz RZPWAHRTMZBOOF-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)(CC[NH3+])CNCc1ccco1 258610515 573249828 /nfs/dbraw/zinc/24/98/28/573249828.db2.gz BDXFCDLNEQYGCS-UHFFFAOYSA-N 1 3 196.294 1.744 10 0 ADAEHO CC(C)[C@@H]1CC[C@@](C)(N)[C@@H]([NH3+])C1 116132977 573251043 /nfs/dbraw/zinc/25/10/43/573251043.db2.gz XGOKOSVLIDVVSC-KXUCPTDWSA-N 1 3 170.300 1.487 10 0 ADAEHO CN(C)[C@H](C1CCCC1)[C@@H]1CC[NH2+]C1 259391668 573251325 /nfs/dbraw/zinc/25/13/25/573251325.db2.gz GZCJPPKTFXSCGG-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C2CC2)CCN1 716636383 573251338 /nfs/dbraw/zinc/25/13/38/573251338.db2.gz NEUCCGHHJVHDHF-YJQGPUDQSA-N 1 3 194.322 1.515 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2C2CC2)CC[NH2+]1 716636383 573251341 /nfs/dbraw/zinc/25/13/41/573251341.db2.gz NEUCCGHHJVHDHF-YJQGPUDQSA-N 1 3 194.322 1.515 10 0 ADAEHO C[C@H]([N@H+](C)C[C@H](C)CN)C(C)(C)C 42739360 573252262 /nfs/dbraw/zinc/25/22/62/573252262.db2.gz XRFIRSMJSVOCMM-ZJUUUORDSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCC(C)C 258612993 573252285 /nfs/dbraw/zinc/25/22/85/573252285.db2.gz IRFXQLGUNYPABB-SNVBAGLBSA-N 1 3 172.316 1.607 10 0 ADAEHO CCC[C@@H](N(C)C)C1(C[NH3+])CC1 259391700 573252339 /nfs/dbraw/zinc/25/23/39/573252339.db2.gz GZSFAZCROUAVPP-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749180 573252569 /nfs/dbraw/zinc/25/25/69/573252569.db2.gz FMEFXZOUTWMZRX-FGWVZKOKSA-N 1 3 182.311 1.741 10 0 ADAEHO CCCC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749180 573252578 /nfs/dbraw/zinc/25/25/78/573252578.db2.gz FMEFXZOUTWMZRX-FGWVZKOKSA-N 1 3 182.311 1.741 10 0 ADAEHO CCCN1CC[NH2+]C(C)(C)CC1 259391685 573252881 /nfs/dbraw/zinc/25/28/81/573252881.db2.gz WYJXDSRIQSLEHF-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)(C)[C@H](CN)C[NH+]1CCCC1 258259694 573253695 /nfs/dbraw/zinc/25/36/95/573253695.db2.gz TXUAOZULQQDRQD-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CSc1ccc([C@H](N)CC[NH3+])cc1 259391968 573252916 /nfs/dbraw/zinc/25/29/16/573252916.db2.gz NQGICQMIDDIOBL-SNVBAGLBSA-N 1 3 196.319 1.757 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40748989 573253177 /nfs/dbraw/zinc/25/31/77/573253177.db2.gz MQAWKHSWICVAAK-WAAKLRNESA-N 1 3 196.338 1.985 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40748989 573253183 /nfs/dbraw/zinc/25/31/83/573253183.db2.gz MQAWKHSWICVAAK-WAAKLRNESA-N 1 3 196.338 1.985 10 0 ADAEHO CC[C@H]1CCN(C[C@@H]([NH3+])CC2CC2)C1 308529744 573253239 /nfs/dbraw/zinc/25/32/39/573253239.db2.gz JWJOJMHLTPJQPX-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40748991 573253259 /nfs/dbraw/zinc/25/32/59/573253259.db2.gz MQAWKHSWICVAAK-YEJSDXFRSA-N 1 3 196.338 1.985 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40748991 573253268 /nfs/dbraw/zinc/25/32/68/573253268.db2.gz MQAWKHSWICVAAK-YEJSDXFRSA-N 1 3 196.338 1.985 10 0 ADAEHO CC[N@H+](CC(C)(C)N)[C@H](C)COC 42781732 573253597 /nfs/dbraw/zinc/25/35/97/573253597.db2.gz NOHKBYPRHHGKJX-SECBINFHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@@H+](CC(C)(C)N)[C@H](C)COC 42781732 573253603 /nfs/dbraw/zinc/25/36/03/573253603.db2.gz NOHKBYPRHHGKJX-SECBINFHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)CCC1CC1 393578601 573255338 /nfs/dbraw/zinc/25/53/38/573255338.db2.gz CKROVQDSWGVEOU-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CC1CCC1 259054467 573254042 /nfs/dbraw/zinc/25/40/42/573254042.db2.gz SHQYZMOJMIZQNH-VIFPVBQESA-N 1 3 170.300 1.361 10 0 ADAEHO CC[C@H](C)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749415 573254252 /nfs/dbraw/zinc/25/42/52/573254252.db2.gz PMDGHGBMCAXGOL-YEJSDXFRSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749415 573254259 /nfs/dbraw/zinc/25/42/59/573254259.db2.gz PMDGHGBMCAXGOL-YEJSDXFRSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH2+]C)C(C)(C)C 259395449 573254361 /nfs/dbraw/zinc/25/43/61/573254361.db2.gz WOQLMJIBRUIYGE-DTWKUNHWSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)CCC1CC1 393578606 573254451 /nfs/dbraw/zinc/25/44/51/573254451.db2.gz CKROVQDSWGVEOU-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)CCC1CC1 393578606 573254458 /nfs/dbraw/zinc/25/44/58/573254458.db2.gz CKROVQDSWGVEOU-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CCN(C[C@H]([NH3+])CC2CC2)C1 308529750 573254666 /nfs/dbraw/zinc/25/46/66/573254666.db2.gz JWJOJMHLTPJQPX-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO Cc1cccc([C@]2(CC[NH3+])CCN2)c1 258249717 573254675 /nfs/dbraw/zinc/25/46/75/573254675.db2.gz QCGCITOCBRIPEG-LBPRGKRZSA-N 1 3 190.290 1.532 10 0 ADAEHO C[C@H](N(C)CCC(N)=[NH2+])C(C)(C)C 42767665 573254680 /nfs/dbraw/zinc/25/46/80/573254680.db2.gz USXCNLJGPYORHS-QMMMGPOBSA-N 1 3 185.315 1.679 10 0 ADAEHO Cc1cccc([C@]2(CCN)CC[NH2+]2)c1 258249717 573254682 /nfs/dbraw/zinc/25/46/82/573254682.db2.gz QCGCITOCBRIPEG-LBPRGKRZSA-N 1 3 190.290 1.532 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)CCC1CC1 393578604 573254930 /nfs/dbraw/zinc/25/49/30/573254930.db2.gz CKROVQDSWGVEOU-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)CCC1CC1 393578604 573254935 /nfs/dbraw/zinc/25/49/35/573254935.db2.gz CKROVQDSWGVEOU-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)CCC1CC1 393578601 573255332 /nfs/dbraw/zinc/25/53/32/573255332.db2.gz CKROVQDSWGVEOU-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CC=CCC1)C1CNC1 686242561 573255045 /nfs/dbraw/zinc/25/50/45/573255045.db2.gz BVSTXXMZHBEVRK-MWLCHTKSSA-N 1 3 180.295 1.293 10 0 ADAEHO CC[C@@H](N)C[N@H+](CC)[C@@H](C)COC 42781758 573255082 /nfs/dbraw/zinc/25/50/82/573255082.db2.gz WAINAQIOMGNUNA-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](N)C[N@@H+](CC)[C@@H](C)COC 42781758 573255090 /nfs/dbraw/zinc/25/50/90/573255090.db2.gz WAINAQIOMGNUNA-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H]1NC[C@@H]2CCC[N@@H+]2[C@@H](C)[C@@H]1C 238317797 573255244 /nfs/dbraw/zinc/25/52/44/573255244.db2.gz CJFZYAGGBWFTDE-FIQHERPVSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@H]1NC[C@@H]2CCC[N@H+]2[C@@H](C)[C@@H]1C 238317797 573255248 /nfs/dbraw/zinc/25/52/48/573255248.db2.gz CJFZYAGGBWFTDE-FIQHERPVSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@H](CN)[C@H]([NH2+]C)C(C)(C)C 259395447 573255260 /nfs/dbraw/zinc/25/52/60/573255260.db2.gz WOQLMJIBRUIYGE-BDAKNGLRSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH2+]C)C(C)(C)C 259395452 573255935 /nfs/dbraw/zinc/25/59/35/573255935.db2.gz WOQLMJIBRUIYGE-IUCAKERBSA-N 1 3 172.316 1.605 10 0 ADAEHO C[NH2+]CC[C@H](C1CCC1)N(C)C 259394985 573255966 /nfs/dbraw/zinc/25/59/66/573255966.db2.gz HEFLHSVHRXGCDZ-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCC[C@H](C1CCC1)[NH+](C)C 259394985 573255971 /nfs/dbraw/zinc/25/59/71/573255971.db2.gz HEFLHSVHRXGCDZ-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@H](C[NH2+]CC1CCC1)CN(C)C 308329003 573255984 /nfs/dbraw/zinc/25/59/84/573255984.db2.gz JCTJDYHWZGYBFQ-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@H](N(C)C[C@@H](C)C(N)=[NH2+])C(C)(C)C 42767679 573255988 /nfs/dbraw/zinc/25/59/88/573255988.db2.gz JPNXJGZPWOOSTI-BDAKNGLRSA-N 1 3 199.342 1.925 10 0 ADAEHO C[C@@H](NCCC(C)(F)F)C1C[NH2+]C1 686242608 573255990 /nfs/dbraw/zinc/25/59/90/573255990.db2.gz FFECIZYWGVEOOA-SSDOTTSWSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@@H]([NH2+]CCC(C)(F)F)C1CNC1 686242608 573255997 /nfs/dbraw/zinc/25/59/97/573255997.db2.gz FFECIZYWGVEOOA-SSDOTTSWSA-N 1 3 192.253 1.229 10 0 ADAEHO CC[NH2+]Cc1cccc2c1CNCC2 258251957 573256029 /nfs/dbraw/zinc/25/60/29/573256029.db2.gz SWWCSFDLFSEKHS-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC=CCC1)C1CNC1 686242562 573256030 /nfs/dbraw/zinc/25/60/30/573256030.db2.gz BVSTXXMZHBEVRK-ONGXEEELSA-N 1 3 180.295 1.293 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749414 573256117 /nfs/dbraw/zinc/25/61/17/573256117.db2.gz PMDGHGBMCAXGOL-WAAKLRNESA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749414 573256120 /nfs/dbraw/zinc/25/61/20/573256120.db2.gz PMDGHGBMCAXGOL-WAAKLRNESA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@H](N)C[N@H+](CC)[C@@H](C)COC 42781757 573256146 /nfs/dbraw/zinc/25/61/46/573256146.db2.gz WAINAQIOMGNUNA-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](N)C[N@@H+](CC)[C@@H](C)COC 42781757 573256154 /nfs/dbraw/zinc/25/61/54/573256154.db2.gz WAINAQIOMGNUNA-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO Cc1cccc([C@@]2(CC[NH3+])CCN2)c1 258249709 573256541 /nfs/dbraw/zinc/25/65/41/573256541.db2.gz QCGCITOCBRIPEG-GFCCVEGCSA-N 1 3 190.290 1.532 10 0 ADAEHO Cc1cccc([C@@]2(CCN)CC[NH2+]2)c1 258249709 573256547 /nfs/dbraw/zinc/25/65/47/573256547.db2.gz QCGCITOCBRIPEG-GFCCVEGCSA-N 1 3 190.290 1.532 10 0 ADAEHO CC[N@H+](CC(C)(C)N)[C@@H](C)COC 42781731 573256612 /nfs/dbraw/zinc/25/66/12/573256612.db2.gz NOHKBYPRHHGKJX-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@@H+](CC(C)(C)N)[C@@H](C)COC 42781731 573256619 /nfs/dbraw/zinc/25/66/19/573256619.db2.gz NOHKBYPRHHGKJX-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO CCN1CC[C@H]([C@H]([NH3+])CSC)C1 257980455 573256710 /nfs/dbraw/zinc/25/67/10/573256710.db2.gz CMFUOQDYZFHPPY-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO CCN1CC[C@H]([C@@H]([NH3+])CSC)C1 257980458 573257446 /nfs/dbraw/zinc/25/74/46/573257446.db2.gz CMFUOQDYZFHPPY-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO CCN(CC[C@H]([NH3+])C(C)C)C1CC1 129208658 573257495 /nfs/dbraw/zinc/25/74/95/573257495.db2.gz ZHDJFFXIFSZFQP-NSHDSACASA-N 1 3 184.327 1.844 10 0 ADAEHO CN(C)C[C@@H]1CCCCCC[C@@H]1[NH3+] 238319127 573257500 /nfs/dbraw/zinc/25/75/00/573257500.db2.gz ZMXPUFOCGZANLV-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN1CC[C@@H]([C@@H]([NH3+])CSC)C1 257980452 573258649 /nfs/dbraw/zinc/25/86/49/573258649.db2.gz CMFUOQDYZFHPPY-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO CC(C)[C@@H](N)CC[NH2+]CC1CC1 129224364 573259781 /nfs/dbraw/zinc/25/97/81/573259781.db2.gz YJIIUJROCJBBSC-JTQLQIEISA-N 1 3 170.300 1.359 10 0 ADAEHO CN(C)Cc1ccc2c(c1)C[NH2+]CC2 116322125 573259392 /nfs/dbraw/zinc/25/93/92/573259392.db2.gz XWRJRNKBUUMNLT-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCN(C)C1CC1 129209389 573259561 /nfs/dbraw/zinc/25/95/61/573259561.db2.gz JREXRCPQQULEJT-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](N[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 716646655 573259667 /nfs/dbraw/zinc/25/96/67/573259667.db2.gz ATHVTCWGKTVZPW-PPJKGSGRSA-N 1 3 194.322 1.228 10 0 ADAEHO C[C@@H]([NH2+][C@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 716646655 573259672 /nfs/dbraw/zinc/25/96/72/573259672.db2.gz ATHVTCWGKTVZPW-PPJKGSGRSA-N 1 3 194.322 1.228 10 0 ADAEHO CN1C[C@]2(CCC[NH2+]C2)CC12CC2 257983141 573260428 /nfs/dbraw/zinc/26/04/28/573260428.db2.gz ZXWSGWLYOBOAST-SNVBAGLBSA-N 1 3 180.295 1.224 10 0 ADAEHO CCOCCC[NH2+][C@H](C)CCNC 323115346 573260163 /nfs/dbraw/zinc/26/01/63/573260163.db2.gz HAYSYWWIHVUQHR-SNVBAGLBSA-N 1 3 188.315 1.001 10 0 ADAEHO CCOCCCN[C@H](C)CC[NH2+]C 323115346 573260165 /nfs/dbraw/zinc/26/01/65/573260165.db2.gz HAYSYWWIHVUQHR-SNVBAGLBSA-N 1 3 188.315 1.001 10 0 ADAEHO C[N@@H+]1C[C@]2(CCCNC2)CC12CC2 257983141 573260433 /nfs/dbraw/zinc/26/04/33/573260433.db2.gz ZXWSGWLYOBOAST-SNVBAGLBSA-N 1 3 180.295 1.224 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCNC1CC1 129222518 573260384 /nfs/dbraw/zinc/26/03/84/573260384.db2.gz WYZRHHJUCSGVNW-VIFPVBQESA-N 1 3 156.273 1.112 10 0 ADAEHO CN[C@@H](C[C@H](C)[NH3+])c1ccc[nH]1 259398693 573260421 /nfs/dbraw/zinc/26/04/21/573260421.db2.gz LTEAOORJOWHHND-CBAPKCEASA-N 1 3 167.256 1.013 10 0 ADAEHO C[N@H+]1C[C@]2(CCCNC2)CC12CC2 257983141 573260439 /nfs/dbraw/zinc/26/04/39/573260439.db2.gz ZXWSGWLYOBOAST-SNVBAGLBSA-N 1 3 180.295 1.224 10 0 ADAEHO CC1(CC[NH2+]CCCN)CCCC1 393578668 573260768 /nfs/dbraw/zinc/26/07/68/573260768.db2.gz ARNPIDLHHOGEJP-UHFFFAOYSA-N 1 3 184.327 1.895 10 0 ADAEHO CN[C@H](C[C@H](C)[NH3+])c1cc[nH]c1 259398678 573260815 /nfs/dbraw/zinc/26/08/15/573260815.db2.gz LSWCZWYKUBFKPI-IONNQARKSA-N 1 3 167.256 1.013 10 0 ADAEHO CCN(CC[C@@H]([NH3+])C(C)C)C1CC1 129208871 573260820 /nfs/dbraw/zinc/26/08/20/573260820.db2.gz ZHDJFFXIFSZFQP-LLVKDONJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C(C)(C)C 129220143 573261561 /nfs/dbraw/zinc/26/15/61/573261561.db2.gz LDBCWRDKEBFSNF-SECBINFHSA-N 1 3 172.316 1.748 10 0 ADAEHO CN1C[C@@]2(CCC[NH2+]C2)CC12CC2 257983139 573261645 /nfs/dbraw/zinc/26/16/45/573261645.db2.gz ZXWSGWLYOBOAST-JTQLQIEISA-N 1 3 180.295 1.224 10 0 ADAEHO C[N@@H+]1C[C@@]2(CCCNC2)CC12CC2 257983139 573261652 /nfs/dbraw/zinc/26/16/52/573261652.db2.gz ZXWSGWLYOBOAST-JTQLQIEISA-N 1 3 180.295 1.224 10 0 ADAEHO C[N@H+]1C[C@@]2(CCCNC2)CC12CC2 257983139 573261656 /nfs/dbraw/zinc/26/16/56/573261656.db2.gz ZXWSGWLYOBOAST-JTQLQIEISA-N 1 3 180.295 1.224 10 0 ADAEHO C[C@H](N[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 716646670 573261884 /nfs/dbraw/zinc/26/18/84/573261884.db2.gz ATHVTCWGKTVZPW-XMFNGYQBSA-N 1 3 194.322 1.228 10 0 ADAEHO C[C@H]([NH2+][C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 716646670 573261893 /nfs/dbraw/zinc/26/18/93/573261893.db2.gz ATHVTCWGKTVZPW-XMFNGYQBSA-N 1 3 194.322 1.228 10 0 ADAEHO CC(C)C[NH2+]CC[C@H](N)C(C)C 129222719 573261999 /nfs/dbraw/zinc/26/19/99/573261999.db2.gz MCNWIBBZANCIBZ-JTQLQIEISA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@H](C)[NH2+]CC[C@H](N)C(C)C 129221714 573262127 /nfs/dbraw/zinc/26/21/27/573262127.db2.gz GHAIRNQICCMGFZ-UWVGGRQHSA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](C)CN 308332899 573262318 /nfs/dbraw/zinc/26/23/18/573262318.db2.gz LTMZWNCVMBESCF-AXFHLTTASA-N 1 3 186.343 1.996 10 0 ADAEHO CCCC[C@H](C)[NH+]1CCC(N)CC1 50888998 573262349 /nfs/dbraw/zinc/26/23/49/573262349.db2.gz KZEWOZJFOQFSPW-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@H](C)N1CCC([NH3+])CC1 50888998 573262354 /nfs/dbraw/zinc/26/23/54/573262354.db2.gz KZEWOZJFOQFSPW-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@H](N)C(C)C 129263164 573263410 /nfs/dbraw/zinc/26/34/10/573263410.db2.gz OWIZYKKFIOGIIK-QWRGUYRKSA-N 1 3 186.343 1.996 10 0 ADAEHO CCCC[NH2+]CC[C@@H](N)C(C)C 129225309 573263502 /nfs/dbraw/zinc/26/35/02/573263502.db2.gz WBYKXGUUBZSUAK-SNVBAGLBSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](N)C1CCCC1 259400668 573263595 /nfs/dbraw/zinc/26/35/95/573263595.db2.gz LUQJTOJKMJKECO-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCC[NH2+]CC[C@H](N)C(C)C 129225106 573263601 /nfs/dbraw/zinc/26/36/01/573263601.db2.gz WBYKXGUUBZSUAK-JTQLQIEISA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@@H](CNC)[C@@H]([NH3+])C1CCCC1 259400668 573263602 /nfs/dbraw/zinc/26/36/02/573263602.db2.gz LUQJTOJKMJKECO-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO CCOCCC[NH2+][C@@H](C)CCNC 323115345 573263671 /nfs/dbraw/zinc/26/36/71/573263671.db2.gz HAYSYWWIHVUQHR-JTQLQIEISA-N 1 3 188.315 1.001 10 0 ADAEHO CCOCCCN[C@@H](C)CC[NH2+]C 323115345 573263676 /nfs/dbraw/zinc/26/36/76/573263676.db2.gz HAYSYWWIHVUQHR-JTQLQIEISA-N 1 3 188.315 1.001 10 0 ADAEHO COCC(C)(C)[N@H+](C)[C@H](C)[C@@H](C)N 308333670 573263947 /nfs/dbraw/zinc/26/39/47/573263947.db2.gz MIPMLYWRURNFSA-RKDXNWHRSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC(C)(C)[N@@H+](C)[C@H](C)[C@@H](C)N 308333670 573263950 /nfs/dbraw/zinc/26/39/50/573263950.db2.gz MIPMLYWRURNFSA-RKDXNWHRSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC(C)(C)[N@H+](C)[C@H](C)[C@H](C)N 308333668 573263983 /nfs/dbraw/zinc/26/39/83/573263983.db2.gz MIPMLYWRURNFSA-DTWKUNHWSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC(C)(C)[N@@H+](C)[C@H](C)[C@H](C)N 308333668 573263989 /nfs/dbraw/zinc/26/39/89/573263989.db2.gz MIPMLYWRURNFSA-DTWKUNHWSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC(C)(C)[N@H+](C)[C@@H](C)[C@@H](C)N 308333667 573264021 /nfs/dbraw/zinc/26/40/21/573264021.db2.gz MIPMLYWRURNFSA-BDAKNGLRSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)N 308333667 573264026 /nfs/dbraw/zinc/26/40/26/573264026.db2.gz MIPMLYWRURNFSA-BDAKNGLRSA-N 1 3 188.315 1.079 10 0 ADAEHO CC(C)[C@@H](N)CC[NH2+]C1CCC1 129261058 573264060 /nfs/dbraw/zinc/26/40/60/573264060.db2.gz BBHHONXCAXIGDA-JTQLQIEISA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCNC1CCC1 129261058 573264064 /nfs/dbraw/zinc/26/40/64/573264064.db2.gz BBHHONXCAXIGDA-JTQLQIEISA-N 1 3 170.300 1.502 10 0 ADAEHO COCC(C)(C)[N@H+](C)[C@@H](C)[C@H](C)N 308333669 573264089 /nfs/dbraw/zinc/26/40/89/573264089.db2.gz MIPMLYWRURNFSA-IUCAKERBSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC(C)(C)[N@@H+](C)[C@@H](C)[C@H](C)N 308333669 573264094 /nfs/dbraw/zinc/26/40/94/573264094.db2.gz MIPMLYWRURNFSA-IUCAKERBSA-N 1 3 188.315 1.079 10 0 ADAEHO CN1CCC(C[C@@]2(C)[NH2+]CCO2)CC1 258268775 573264230 /nfs/dbraw/zinc/26/42/30/573264230.db2.gz BDJNKVGKDPDTMD-NSHDSACASA-N 1 3 198.310 1.054 10 0 ADAEHO CN1CC=C(CCCC[NH3+])CC1 258267658 573264361 /nfs/dbraw/zinc/26/43/61/573264361.db2.gz YTTHQNIRHAEORN-UHFFFAOYSA-N 1 3 168.284 1.377 10 0 ADAEHO CC(C)(C)C[C@H]([NH3+])CNC1CC1 258266057 573264448 /nfs/dbraw/zinc/26/44/48/573264448.db2.gz UIUQCHNVGBUWCA-QMMMGPOBSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCN(C)C[C@@H]1CCC[NH2+][C@@H]1C 308340848 573264775 /nfs/dbraw/zinc/26/47/75/573264775.db2.gz QWTUWXNYKKRKQQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+](C)C[C@@H]1CCCN[C@@H]1C 308340848 573264782 /nfs/dbraw/zinc/26/47/82/573264782.db2.gz QWTUWXNYKKRKQQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](C)C[C@@H]1CCCN[C@@H]1C 308340848 573264786 /nfs/dbraw/zinc/26/47/86/573264786.db2.gz QWTUWXNYKKRKQQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN(C)C[C@H]1CCC[NH2+][C@H]1C 308340850 573264996 /nfs/dbraw/zinc/26/49/96/573264996.db2.gz QWTUWXNYKKRKQQ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+](C)C[C@H]1CCCN[C@H]1C 308340850 573265001 /nfs/dbraw/zinc/26/50/01/573265001.db2.gz QWTUWXNYKKRKQQ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](C)C[C@H]1CCCN[C@H]1C 308340850 573265007 /nfs/dbraw/zinc/26/50/07/573265007.db2.gz QWTUWXNYKKRKQQ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CC[NH+]=C(N[C@@H]2CCCN2)CC1 257782246 573265151 /nfs/dbraw/zinc/26/51/51/573265151.db2.gz PCEIQNAPMCPSEY-NXEZZACHSA-N 1 3 195.310 1.504 10 0 ADAEHO CN(Cc1ccc[nH]1)CC1CC([NH3+])C1 259061862 573265488 /nfs/dbraw/zinc/26/54/88/573265488.db2.gz RGZMANJCMLZJID-UHFFFAOYSA-N 1 3 193.294 1.184 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]C2CC(C3CC3)C2)C1 714666237 573265513 /nfs/dbraw/zinc/26/55/13/573265513.db2.gz LOUZNOJOMRUHCF-LVFLEHKBSA-N 1 3 194.322 1.644 10 0 ADAEHO CCCN(C)C[C@@H]1CCC[NH2+][C@H]1C 308340849 573265535 /nfs/dbraw/zinc/26/55/35/573265535.db2.gz QWTUWXNYKKRKQQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+](C)C[C@@H]1CCCN[C@H]1C 308340849 573265542 /nfs/dbraw/zinc/26/55/42/573265542.db2.gz QWTUWXNYKKRKQQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](C)C[C@@H]1CCCN[C@H]1C 308340849 573265549 /nfs/dbraw/zinc/26/55/49/573265549.db2.gz QWTUWXNYKKRKQQ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC1(CN2CC(C[NH3+])C2)CCC1 308341403 573265629 /nfs/dbraw/zinc/26/56/29/573265629.db2.gz RDZYXRJUFMFHDC-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO CN1CCC(C[C@]2(C)[NH2+]CCO2)CC1 258268762 573265643 /nfs/dbraw/zinc/26/56/43/573265643.db2.gz BDJNKVGKDPDTMD-LLVKDONJSA-N 1 3 198.310 1.054 10 0 ADAEHO [NH3+][C@@H](CNC1CCC1)C1CCCC1 258267431 573266105 /nfs/dbraw/zinc/26/61/05/573266105.db2.gz MRIOIPNSLFPFRB-NSHDSACASA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC[C@H](N)C(C)C 129262963 573266179 /nfs/dbraw/zinc/26/61/79/573266179.db2.gz OWIZYKKFIOGIIK-MNOVXSKESA-N 1 3 186.343 1.996 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](N)C1CCCC1 259400674 573266224 /nfs/dbraw/zinc/26/62/24/573266224.db2.gz LUQJTOJKMJKECO-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CNC)[C@H]([NH3+])C1CCCC1 259400674 573266229 /nfs/dbraw/zinc/26/62/29/573266229.db2.gz LUQJTOJKMJKECO-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@@H](N)CC[NH2+]CC(C)(C)C 129227009 573266279 /nfs/dbraw/zinc/26/62/79/573266279.db2.gz DOCYPWUCKDIWSK-JTQLQIEISA-N 1 3 186.343 1.996 10 0 ADAEHO C[C@@H]1CC[NH+]=C(N[C@@H]2CCCN2)CC1 257782248 573266340 /nfs/dbraw/zinc/26/63/40/573266340.db2.gz PCEIQNAPMCPSEY-VHSXEESVSA-N 1 3 195.310 1.504 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CC1(C)CCC1 308341603 573266501 /nfs/dbraw/zinc/26/65/01/573266501.db2.gz RHMIAFUSYJRMTK-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC1(C)CCCN1C[C@H]([NH3+])CC1CC1 308532724 573266503 /nfs/dbraw/zinc/26/65/03/573266503.db2.gz KMXURLSYUAWCOI-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CC1(C)CCC1 308341603 573266505 /nfs/dbraw/zinc/26/65/05/573266505.db2.gz RHMIAFUSYJRMTK-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)CC1(C)CCC1 308341603 573266508 /nfs/dbraw/zinc/26/65/08/573266508.db2.gz RHMIAFUSYJRMTK-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCN(C)C1(C)CC[NH2+]CC1 642885434 573266568 /nfs/dbraw/zinc/26/65/68/573266568.db2.gz JVHDERIWAUVCON-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CC(C)(C)C[C@@H]([NH3+])CNC1CC1 258266056 573266678 /nfs/dbraw/zinc/26/66/78/573266678.db2.gz UIUQCHNVGBUWCA-MRVPVSSYSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]1CC[NH+]=C(N[C@H]2CCCN2)CC1 257782249 573266715 /nfs/dbraw/zinc/26/67/15/573266715.db2.gz PCEIQNAPMCPSEY-ZJUUUORDSA-N 1 3 195.310 1.504 10 0 ADAEHO C[C@H](CN)C[N@H+](C)CC1(C)CCC1 308341604 573267145 /nfs/dbraw/zinc/26/71/45/573267145.db2.gz RHMIAFUSYJRMTK-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)CC1(C)CCC1 308341604 573267156 /nfs/dbraw/zinc/26/71/56/573267156.db2.gz RHMIAFUSYJRMTK-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](C[NH3+])CN(C)CC1(C)CCC1 308341604 573267165 /nfs/dbraw/zinc/26/71/65/573267165.db2.gz RHMIAFUSYJRMTK-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO Cc1[nH]c(N)[nH+]c1[C@H]1CCCN(C)C1 259062167 573267329 /nfs/dbraw/zinc/26/73/29/573267329.db2.gz HANHWPOSXNWWOC-QMMMGPOBSA-N 1 3 194.282 1.110 10 0 ADAEHO CCCN(C)C[C@H]1CCC[NH2+][C@@H]1C 308340847 573267367 /nfs/dbraw/zinc/26/73/67/573267367.db2.gz QWTUWXNYKKRKQQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+](C)C[C@H]1CCCN[C@@H]1C 308340847 573267372 /nfs/dbraw/zinc/26/73/72/573267372.db2.gz QWTUWXNYKKRKQQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@@H+](C)C[C@H]1CCCN[C@@H]1C 308340847 573267381 /nfs/dbraw/zinc/26/73/81/573267381.db2.gz QWTUWXNYKKRKQQ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)=CCN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750153 573267479 /nfs/dbraw/zinc/26/74/79/573267479.db2.gz MHZOZJIDFODRME-YOGCLGLASA-N 1 3 194.322 1.907 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]C2CC(C3CC3)C2)C1 714666236 573267747 /nfs/dbraw/zinc/26/77/47/573267747.db2.gz LOUZNOJOMRUHCF-BFUDSRACSA-N 1 3 194.322 1.644 10 0 ADAEHO C[C@@H]1CC[NH+]=C(N[C@H]2CCCN2)CC1 257782247 573267658 /nfs/dbraw/zinc/26/76/58/573267658.db2.gz PCEIQNAPMCPSEY-UWVGGRQHSA-N 1 3 195.310 1.504 10 0 ADAEHO NCc1cnc(C2CC[NH2+]CC2)s1 258268870 573267987 /nfs/dbraw/zinc/26/79/87/573267987.db2.gz XSCVBVBMVZBUGM-UHFFFAOYSA-N 1 3 197.307 1.069 10 0 ADAEHO CN1CC[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 238327399 573268008 /nfs/dbraw/zinc/26/80/08/573268008.db2.gz KFIJSQCEGJJFSE-IVZWLZJFSA-N 1 3 168.284 1.066 10 0 ADAEHO COCC(C)(C)[N@H+](C)CC(C)(C)N 308336234 573268009 /nfs/dbraw/zinc/26/80/09/573268009.db2.gz OAETVOWIFINRCR-UHFFFAOYSA-N 1 3 188.315 1.081 10 0 ADAEHO COCC(C)(C)[N@@H+](C)CC(C)(C)N 308336234 573268015 /nfs/dbraw/zinc/26/80/15/573268015.db2.gz OAETVOWIFINRCR-UHFFFAOYSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@H](C[NH3+])c1coc([C@H]2CCCN2)n1 258273193 573269123 /nfs/dbraw/zinc/26/91/23/573269123.db2.gz XZRRMPGBGZIXPQ-HTQZYQBOSA-N 1 3 195.266 1.161 10 0 ADAEHO C[C@@H](C[NH3+])c1coc([C@H]2CCCN2)n1 258273195 573269682 /nfs/dbraw/zinc/26/96/82/573269682.db2.gz XZRRMPGBGZIXPQ-JGVFFNPUSA-N 1 3 195.266 1.161 10 0 ADAEHO C1C[C@@H](C[NH2+]C2CC(C3CC3)C2)N1 714667258 573270124 /nfs/dbraw/zinc/27/01/24/573270124.db2.gz AYXIRLBICXQTSR-YVNMAJEFSA-N 1 3 180.295 1.127 10 0 ADAEHO C[NH2+][C@@H](C)c1ccc(CN)c(F)c1 238329818 573270515 /nfs/dbraw/zinc/27/05/15/573270515.db2.gz BVHGZKONMXTBIT-ZETCQYMHSA-N 1 3 182.242 1.565 10 0 ADAEHO CCC(CC)[NH2+]CC(C)(C)CN 129233700 573272791 /nfs/dbraw/zinc/27/27/91/573272791.db2.gz XMIWZWHLELDSII-UHFFFAOYSA-N 1 3 172.316 1.750 10 0 ADAEHO Cc1ccoc1[C@H](N)CCC[NH+](C)C 74241374 573275123 /nfs/dbraw/zinc/27/51/23/573275123.db2.gz JUYQRPRCOOPDJI-SNVBAGLBSA-N 1 3 196.294 1.930 10 0 ADAEHO Cn1c(CN)cc2cc(C[NH3+])ccc21 257989295 573275032 /nfs/dbraw/zinc/27/50/32/573275032.db2.gz KFNJUGZTPDOHMH-UHFFFAOYSA-N 1 3 189.262 1.096 10 0 ADAEHO C[NH2+]CC1(CN2CCCC2)CCC1 258616946 573275251 /nfs/dbraw/zinc/27/52/51/573275251.db2.gz JAOQBWYQGAWIOV-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CNCC1(C[NH+]2CCCC2)CCC1 258616946 573275254 /nfs/dbraw/zinc/27/52/54/573275254.db2.gz JAOQBWYQGAWIOV-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO N[C@@H](C[NH+]1CCCCC1)C1CCCC1 74240768 573278404 /nfs/dbraw/zinc/27/84/04/573278404.db2.gz LDUYNFVNULIPCM-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+][C@@H]1CC[C@H]1C 308537077 573278467 /nfs/dbraw/zinc/27/84/67/573278467.db2.gz MQDZGJCDUFGTIZ-IJLUTSLNSA-N 1 3 198.354 1.996 10 0 ADAEHO C[NH2+]CC1(CN2CCCCC2)CCC1 258616899 573279676 /nfs/dbraw/zinc/27/96/76/573279676.db2.gz IZJOUYCOQXYVCD-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO CC[NH2+]C[C@H]1CCCC[C@H]1N 82922287 573280151 /nfs/dbraw/zinc/28/01/51/573280151.db2.gz FMYWIFWBESETIW-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO N[C@@H]1CCC[C@@H]1C[NH2+]C1CCCC1 82922275 573280191 /nfs/dbraw/zinc/28/01/91/573280191.db2.gz OGLBWFXIGVUQCC-MWLCHTKSSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 82922460 573280369 /nfs/dbraw/zinc/28/03/69/573280369.db2.gz OFIRKVXKWCLJID-KATARQTJSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 82922460 573280373 /nfs/dbraw/zinc/28/03/73/573280373.db2.gz OFIRKVXKWCLJID-KATARQTJSA-N 1 3 168.284 1.112 10 0 ADAEHO C[NH2+]C(C)(C)CN[C@@H]1CC[C@@H](C)C1 129420128 573280546 /nfs/dbraw/zinc/28/05/46/573280546.db2.gz FFLZPGHFURTASU-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCCC[C@H]1N 82922231 573280607 /nfs/dbraw/zinc/28/06/07/573280607.db2.gz QRZPLWJHGABAGD-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO N[C@H]1CCC[C@@H]1C[NH2+]C1CCCC1 82922273 573280623 /nfs/dbraw/zinc/28/06/23/573280623.db2.gz OGLBWFXIGVUQCC-KOLCDFICSA-N 1 3 182.311 1.646 10 0 ADAEHO N[C@H]1CCC[C@@H]1C[NH2+]C1CCC1 82922453 573280665 /nfs/dbraw/zinc/28/06/65/573280665.db2.gz JCCAVNYSBHOIPJ-SCZZXKLOSA-N 1 3 168.284 1.256 10 0 ADAEHO C1CCC(N2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923129 573280692 /nfs/dbraw/zinc/28/06/92/573280692.db2.gz ATLFZSNCEIBCDK-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO N[C@@H]1CCC[C@H]1C[NH2+]C1CCCC1 82922274 573280712 /nfs/dbraw/zinc/28/07/12/573280712.db2.gz OGLBWFXIGVUQCC-GXSJLCMTSA-N 1 3 182.311 1.646 10 0 ADAEHO CCC[NH2+]C[C@H]1CCC[C@H]1N 82922219 573282148 /nfs/dbraw/zinc/28/21/48/573282148.db2.gz FDLYHTUXBJCCPL-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCC[C@H]1N 82922218 573282204 /nfs/dbraw/zinc/28/22/04/573282204.db2.gz FDLYHTUXBJCCPL-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCC[C@H]1N 82922234 573282359 /nfs/dbraw/zinc/28/23/59/573282359.db2.gz KNMDMVMQBAVXFK-DTWKUNHWSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCC[C@@H]1N 82922233 573282373 /nfs/dbraw/zinc/28/23/73/573282373.db2.gz KNMDMVMQBAVXFK-BDAKNGLRSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@H]1CCC[C@H]1C[NH2+]C1CCCC1 82922272 573282399 /nfs/dbraw/zinc/28/23/99/573282399.db2.gz OGLBWFXIGVUQCC-ONGXEEELSA-N 1 3 182.311 1.646 10 0 ADAEHO N[C@@H]1CCCC[C@H]1C[NH2+]C1CCC1 82922449 573282577 /nfs/dbraw/zinc/28/25/77/573282577.db2.gz AESTTYWVRHKIMG-GXSJLCMTSA-N 1 3 182.311 1.646 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCCC[C@H]1N 82922230 573282860 /nfs/dbraw/zinc/28/28/60/573282860.db2.gz QRZPLWJHGABAGD-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO C1CCC(N2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 82923142 573282949 /nfs/dbraw/zinc/28/29/49/573282949.db2.gz NUMQHHWDZPWMDC-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO N[C@H]1CCC[C@H]1C[NH2+]C1CCC1 82922452 573282975 /nfs/dbraw/zinc/28/29/75/573282975.db2.gz JCCAVNYSBHOIPJ-WPRPVWTQSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCC[C@H]1N 82922235 573283085 /nfs/dbraw/zinc/28/30/85/573283085.db2.gz KNMDMVMQBAVXFK-RKDXNWHRSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@H]1CCCC[C@@H]1C[NH2+]C1CCC1 82922450 573283106 /nfs/dbraw/zinc/28/31/06/573283106.db2.gz AESTTYWVRHKIMG-KOLCDFICSA-N 1 3 182.311 1.646 10 0 ADAEHO C[NH2+]C(C)(C)CN[C@H]1CC[C@@H](C)C1 129419657 573283112 /nfs/dbraw/zinc/28/31/12/573283112.db2.gz FFLZPGHFURTASU-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@H]1CCC[C@@H]1[NH3+] 82922420 573283173 /nfs/dbraw/zinc/28/31/73/573283173.db2.gz BHOZLIVMTBDRSM-GUBZILKMSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1N 82922420 573283177 /nfs/dbraw/zinc/28/31/77/573283177.db2.gz BHOZLIVMTBDRSM-GUBZILKMSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@H]1CCCC[C@@H]1[NH3+] 82922418 573283228 /nfs/dbraw/zinc/28/32/28/573283228.db2.gz CEBYUUSYXQXVFK-VWYCJHECSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1N 82922418 573283232 /nfs/dbraw/zinc/28/32/32/573283232.db2.gz CEBYUUSYXQXVFK-VWYCJHECSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)(C)[NH2+]C[C@@H]1CCC[C@H]1N 82922226 573283294 /nfs/dbraw/zinc/28/32/94/573283294.db2.gz FSQZIGSOWAXPDZ-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1N 82922223 573283455 /nfs/dbraw/zinc/28/34/55/573283455.db2.gz QXBUJVRNRMOYRT-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 82922416 573284254 /nfs/dbraw/zinc/28/42/54/573284254.db2.gz CEBYUUSYXQXVFK-DCAQKATOSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1N 82922222 573284151 /nfs/dbraw/zinc/28/41/51/573284151.db2.gz QXBUJVRNRMOYRT-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC1 82922451 573284222 /nfs/dbraw/zinc/28/42/22/573284222.db2.gz AESTTYWVRHKIMG-MWLCHTKSSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 82922416 573284249 /nfs/dbraw/zinc/28/42/49/573284249.db2.gz CEBYUUSYXQXVFK-DCAQKATOSA-N 1 3 196.338 1.892 10 0 ADAEHO C[NH+](C)[C@@H](C1CCC1)[C@H]1CCCNC1 259402722 573284980 /nfs/dbraw/zinc/28/49/80/573284980.db2.gz HKDWSTKNPYCOPN-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(=[NH2+])N(C)C[C@@H]1CCCN1C 86190281 573286025 /nfs/dbraw/zinc/28/60/25/573286025.db2.gz YYPPOXQDHOULLK-VIFPVBQESA-N 1 3 169.272 1.010 10 0 ADAEHO C[NH2+][C@@H](CC(C)(C)N)C1CCC1 259403448 573285971 /nfs/dbraw/zinc/28/59/71/573285971.db2.gz MTKAXZCOIYUZRX-VIFPVBQESA-N 1 3 170.300 1.502 10 0 ADAEHO C[NH2+][C@H](CC(C)(C)N)C1CCC1 259403446 573285674 /nfs/dbraw/zinc/28/56/74/573285674.db2.gz MTKAXZCOIYUZRX-SECBINFHSA-N 1 3 170.300 1.502 10 0 ADAEHO C[NH+](C)[C@@H](C1CCC1)[C@@H]1CCCNC1 259402714 573285938 /nfs/dbraw/zinc/28/59/38/573285938.db2.gz HKDWSTKNPYCOPN-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH+](C)CCC[C@H](N)c1ccccn1 74247543 573287279 /nfs/dbraw/zinc/28/72/79/573287279.db2.gz WNNMZGCSABFNIS-JTQLQIEISA-N 1 3 193.294 1.423 10 0 ADAEHO CNCC1(C[N@H+](C)CC(C)C)CCC1 259069617 573286802 /nfs/dbraw/zinc/28/68/02/573286802.db2.gz UIWTWKKNCLMXRJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC1(C[N@@H+](C)CC(C)C)CCC1 259069617 573286804 /nfs/dbraw/zinc/28/68/04/573286804.db2.gz UIWTWKKNCLMXRJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH2+]CC1(CN(C)CC(C)C)CCC1 259069617 573286809 /nfs/dbraw/zinc/28/68/09/573286809.db2.gz UIWTWKKNCLMXRJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC1(C[NH2+]C)CCCCCC1 238324529 573287689 /nfs/dbraw/zinc/28/76/89/573287689.db2.gz FTQLTHQDBLMKOX-UHFFFAOYSA-N 1 3 170.300 1.518 10 0 ADAEHO CN(C)Cc1ccc(C2C[NH2+]C2)cc1 238334765 573287715 /nfs/dbraw/zinc/28/77/15/573287715.db2.gz HNPQXYUHHBIZND-UHFFFAOYSA-N 1 3 190.290 1.435 10 0 ADAEHO CN(C)C[C@H]1CCCCCC[C@H]1[NH3+] 238324738 573291429 /nfs/dbraw/zinc/29/14/29/573291429.db2.gz ZMXPUFOCGZANLV-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(=[NH2+])N(C)C[C@H]1CCCN1C 86190282 573289527 /nfs/dbraw/zinc/28/95/27/573289527.db2.gz YYPPOXQDHOULLK-SECBINFHSA-N 1 3 169.272 1.010 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH2+]C)C1CCC1 259067766 573289340 /nfs/dbraw/zinc/28/93/40/573289340.db2.gz BSJNEJACEIRDMJ-WCBMZHEXSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(CN1CCCCC1)C1([NH3+])CC1 257993765 573291047 /nfs/dbraw/zinc/29/10/47/573291047.db2.gz FORUFCMHXJUWFU-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CNCCC[NH+]1C[C@H]2CC=CC[C@@H]2C1 308534679 573291177 /nfs/dbraw/zinc/29/11/77/573291177.db2.gz DCYRVLYQBQGOTA-VXGBXAGGSA-N 1 3 194.322 1.494 10 0 ADAEHO C[NH2+]CCC[C@H](N)c1ccc(C)o1 259404861 573291296 /nfs/dbraw/zinc/29/12/96/573291296.db2.gz OHVRPOVCICDLEV-VIFPVBQESA-N 1 3 182.267 1.587 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)[C@@H](CN)C(C)C 259073454 573292377 /nfs/dbraw/zinc/29/23/77/573292377.db2.gz BZJKCKYBJMKCDM-NWDGAFQWSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@@H](C)[NH2+][C@@H]1CCNC(C)(C)C1 258621877 573292463 /nfs/dbraw/zinc/29/24/63/573292463.db2.gz CIDATTVFYKGITF-NXEZZACHSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[NH2+]CCc1cccc2c1CNC2 257996975 573292505 /nfs/dbraw/zinc/29/25/05/573292505.db2.gz FWFSUVDPVHCFJK-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO CN(C)C[C@H]1CCCCCC[C@@H]1[NH3+] 238324716 573292584 /nfs/dbraw/zinc/29/25/84/573292584.db2.gz ZMXPUFOCGZANLV-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+](C)CC(C)=C1CNC1 129449846 573292694 /nfs/dbraw/zinc/29/26/94/573292694.db2.gz BLEOPBKHKARCPQ-UHFFFAOYSA-N 1 3 182.311 1.638 10 0 ADAEHO CCCC[N@@H+](C)CC(C)=C1CNC1 129449846 573292699 /nfs/dbraw/zinc/29/26/99/573292699.db2.gz BLEOPBKHKARCPQ-UHFFFAOYSA-N 1 3 182.311 1.638 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](NC)c1cccs1 259071848 573292710 /nfs/dbraw/zinc/29/27/10/573292710.db2.gz BZBMBICBSGOOIA-WPRPVWTQSA-N 1 3 198.335 1.994 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@H](CN)C1(C)C 259405013 573292917 /nfs/dbraw/zinc/29/29/17/573292917.db2.gz MMYPJSBLCKBSDV-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@H](CN)C1(C)C 259405013 573292924 /nfs/dbraw/zinc/29/29/24/573292924.db2.gz MMYPJSBLCKBSDV-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+]CCC[C@@H](N)c1ccc(C)o1 259404860 573293024 /nfs/dbraw/zinc/29/30/24/573293024.db2.gz OHVRPOVCICDLEV-SECBINFHSA-N 1 3 182.267 1.587 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)[C@@H](CN)C(C)C 259073456 573293171 /nfs/dbraw/zinc/29/31/71/573293171.db2.gz BZJKCKYBJMKCDM-RYUDHWBXSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](NC)c1cccs1 259071847 573293310 /nfs/dbraw/zinc/29/33/10/573293310.db2.gz BZBMBICBSGOOIA-WCBMZHEXSA-N 1 3 198.335 1.994 10 0 ADAEHO C[C@@H]1C[C@@H]([C@@H]2CCCCN2C)C[NH2+]1 257996834 573293438 /nfs/dbraw/zinc/29/34/38/573293438.db2.gz ADBRCDHCFIOPDV-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[C@H]([C@H]2CCCCN2C)C[NH2+]1 257996835 573293598 /nfs/dbraw/zinc/29/35/98/573293598.db2.gz ADBRCDHCFIOPDV-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCNC(C)(C)C1 258621879 573293606 /nfs/dbraw/zinc/29/36/06/573293606.db2.gz CIDATTVFYKGITF-UWVGGRQHSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCNC(C)(C)C1 258621880 573296313 /nfs/dbraw/zinc/29/63/13/573296313.db2.gz CIDATTVFYKGITF-VHSXEESVSA-N 1 3 184.327 1.905 10 0 ADAEHO c1cc2[nH]cc([C@H]3CC[NH2+]C3)c2cn1 74278826 573297651 /nfs/dbraw/zinc/29/76/51/573297651.db2.gz UUWVTXXWDKPIPN-QMMMGPOBSA-N 1 3 187.246 1.640 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]1[C@@H](C)CN 259410452 573301715 /nfs/dbraw/zinc/30/17/15/573301715.db2.gz IVTHAHANWXREST-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CN1CCC[NH2+]CCC1(C)C 259409934 573301516 /nfs/dbraw/zinc/30/15/16/573301516.db2.gz MTENFLQIFCAECA-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO [NH3+]CCc1cc2cnccc2[nH]1 78375999 573299626 /nfs/dbraw/zinc/29/96/26/573299626.db2.gz UMDFCVSRKCPLQN-UHFFFAOYSA-N 1 3 161.208 1.064 10 0 ADAEHO CC(C)N1CC[NH2+]C(C)(C)CC1 259407504 573299817 /nfs/dbraw/zinc/29/98/17/573299817.db2.gz YJMRVAZPCOMJGC-UHFFFAOYSA-N 1 3 170.300 1.469 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]CC2CC=CC2)C1 717330929 573299892 /nfs/dbraw/zinc/29/98/92/573299892.db2.gz NMERUGISOUGVKG-MNOVXSKESA-N 1 3 180.295 1.422 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@H+](C)CCCN1 82941214 573302085 /nfs/dbraw/zinc/30/20/85/573302085.db2.gz SRDRFNMVHYTGBI-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@H+](C)CCCN1 82941217 573299986 /nfs/dbraw/zinc/29/99/86/573299986.db2.gz SRDRFNMVHYTGBI-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@@H+](C)CCCN1 82941217 573299988 /nfs/dbraw/zinc/29/99/88/573299988.db2.gz SRDRFNMVHYTGBI-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@@H+](C)CCCN1 82941214 573302092 /nfs/dbraw/zinc/30/20/92/573302092.db2.gz SRDRFNMVHYTGBI-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO c1cc2[nH]cc([C@@H]3CC[NH2+]C3)c2cn1 74278822 573302097 /nfs/dbraw/zinc/30/20/97/573302097.db2.gz UUWVTXXWDKPIPN-MRVPVSSYSA-N 1 3 187.246 1.640 10 0 ADAEHO C[C@@H](CN)[C@H](C1CCCC1)[NH+](C)C 259408427 573300831 /nfs/dbraw/zinc/30/08/31/573300831.db2.gz HPHLMVJORCUHDJ-GXSJLCMTSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]1[C@H](C)CN 259410449 573300885 /nfs/dbraw/zinc/30/08/85/573300885.db2.gz IVTHAHANWXREST-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]1[C@H](C)CN 259410449 573300891 /nfs/dbraw/zinc/30/08/91/573300891.db2.gz IVTHAHANWXREST-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CN)[C@H](C1CCCC1)[NH+](C)C 259408436 573301316 /nfs/dbraw/zinc/30/13/16/573301316.db2.gz HPHLMVJORCUHDJ-MWLCHTKSSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)[C@@H]([NH3+])C1CCCCC1 259409176 573301325 /nfs/dbraw/zinc/30/13/25/573301325.db2.gz OMFAMRKFMJRJET-PSASIEDQSA-N 1 3 170.300 1.489 10 0 ADAEHO C[N@H+]1CCCNCCC1(C)C 259409934 573301512 /nfs/dbraw/zinc/30/15/12/573301512.db2.gz MTENFLQIFCAECA-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@H+](CC)CCCN1 82941143 573301444 /nfs/dbraw/zinc/30/14/44/573301444.db2.gz WZGQIWWSJMSMSR-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@@H+](CC)CCCN1 82941143 573301449 /nfs/dbraw/zinc/30/14/49/573301449.db2.gz WZGQIWWSJMSMSR-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]1[C@@H](C)CN 259410451 573301456 /nfs/dbraw/zinc/30/14/56/573301456.db2.gz IVTHAHANWXREST-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]1[C@@H](C)CN 259410451 573301459 /nfs/dbraw/zinc/30/14/59/573301459.db2.gz IVTHAHANWXREST-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CCCNCCC1(C)C 259409934 573301504 /nfs/dbraw/zinc/30/15/04/573301504.db2.gz MTENFLQIFCAECA-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@@H+]1CCCCCCNCC1 238337059 573301562 /nfs/dbraw/zinc/30/15/62/573301562.db2.gz RVZCGZNFWMHGIB-UHFFFAOYSA-N 1 3 156.273 1.082 10 0 ADAEHO C[N@H+]1CCCCCCNCC1 238337059 573301567 /nfs/dbraw/zinc/30/15/67/573301567.db2.gz RVZCGZNFWMHGIB-UHFFFAOYSA-N 1 3 156.273 1.082 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]1[C@@H](C)CN 259410452 573301711 /nfs/dbraw/zinc/30/17/11/573301711.db2.gz IVTHAHANWXREST-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[NH+](CC)C1C[C@H](C)N[C@@H](C)C1 74282394 573301829 /nfs/dbraw/zinc/30/18/29/573301829.db2.gz KMUYOVQZMGCIRO-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(CC)C1C[C@H](C)[NH2+][C@@H](C)C1 74282394 573301833 /nfs/dbraw/zinc/30/18/33/573301833.db2.gz KMUYOVQZMGCIRO-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H](C)[C@@H]1C[N@H+](CC)CCCN1 82941141 573301929 /nfs/dbraw/zinc/30/19/29/573301929.db2.gz WZGQIWWSJMSMSR-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)[C@@H]1C[N@@H+](CC)CCCN1 82941141 573301931 /nfs/dbraw/zinc/30/19/31/573301931.db2.gz WZGQIWWSJMSMSR-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@H+](CC)CCCN1 82941146 573303676 /nfs/dbraw/zinc/30/36/76/573303676.db2.gz WZGQIWWSJMSMSR-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@@H+](CC)CCCN1 82941146 573303681 /nfs/dbraw/zinc/30/36/81/573303681.db2.gz WZGQIWWSJMSMSR-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H](CN)[C@@H]([NH3+])C1CCCCC1 259409183 573303716 /nfs/dbraw/zinc/30/37/16/573303716.db2.gz OMFAMRKFMJRJET-WCBMZHEXSA-N 1 3 170.300 1.489 10 0 ADAEHO Cc1nc(CC[NH3+])c(C(C)(C)C)[nH]1 74301349 573303791 /nfs/dbraw/zinc/30/37/91/573303791.db2.gz ZNTCZIXXRFHVCO-UHFFFAOYSA-N 1 3 181.283 1.517 10 0 ADAEHO CNC[C@H](C)C[NH2+]C1CC(C2CC2)C1 714669516 573303909 /nfs/dbraw/zinc/30/39/09/573303909.db2.gz JSQVHEIJOOWYMZ-GCVQQVDUSA-N 1 3 196.338 1.620 10 0 ADAEHO C[NH2+]C[C@H](C)CNC1CC(C2CC2)C1 714669516 573303913 /nfs/dbraw/zinc/30/39/13/573303913.db2.gz JSQVHEIJOOWYMZ-GCVQQVDUSA-N 1 3 196.338 1.620 10 0 ADAEHO CN1CCCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258286188 573303927 /nfs/dbraw/zinc/30/39/27/573303927.db2.gz SYFCEZCQMBSPBM-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](CNC)[C@@H]([NH2+]C)C1CCC1 259075601 573303971 /nfs/dbraw/zinc/30/39/71/573303971.db2.gz CFXXLYIRCRSEPE-MWLCHTKSSA-N 1 3 184.327 1.620 10 0 ADAEHO CN(c1ccncc1)[C@H]1CCC[C@@H]1[NH3+] 259075465 573304171 /nfs/dbraw/zinc/30/41/71/573304171.db2.gz QYDJJOPLGPUJFJ-QWRGUYRKSA-N 1 3 191.278 1.398 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C1CC(C2CC2)C1 714669524 573304398 /nfs/dbraw/zinc/30/43/98/573304398.db2.gz JSQVHEIJOOWYMZ-OIKLOGQESA-N 1 3 196.338 1.620 10 0 ADAEHO C[NH2+]C[C@@H](C)CNC1CC(C2CC2)C1 714669524 573304403 /nfs/dbraw/zinc/30/44/03/573304403.db2.gz JSQVHEIJOOWYMZ-OIKLOGQESA-N 1 3 196.338 1.620 10 0 ADAEHO CN(c1ccncc1)[C@@H]1CCC[C@@H]1[NH3+] 259075467 573304430 /nfs/dbraw/zinc/30/44/30/573304430.db2.gz QYDJJOPLGPUJFJ-WDEREUQCSA-N 1 3 191.278 1.398 10 0 ADAEHO CN1CCCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258286186 573304474 /nfs/dbraw/zinc/30/44/74/573304474.db2.gz SYFCEZCQMBSPBM-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]1[C@H](C)CN 259410453 573304498 /nfs/dbraw/zinc/30/44/98/573304498.db2.gz IVTHAHANWXREST-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]1[C@H](C)CN 259410453 573304503 /nfs/dbraw/zinc/30/45/03/573304503.db2.gz IVTHAHANWXREST-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CN)[C@@H](C1CCCC1)[NH+](C)C 259408432 573304512 /nfs/dbraw/zinc/30/45/12/573304512.db2.gz HPHLMVJORCUHDJ-KOLCDFICSA-N 1 3 184.327 1.702 10 0 ADAEHO CN1CCCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258286189 573304633 /nfs/dbraw/zinc/30/46/33/573304633.db2.gz SYFCEZCQMBSPBM-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN1CCCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258286185 573304660 /nfs/dbraw/zinc/30/46/60/573304660.db2.gz SYFCEZCQMBSPBM-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](CNC)[C@@H]([NH2+]C)C1CCC1 259075597 573304963 /nfs/dbraw/zinc/30/49/63/573304963.db2.gz CFXXLYIRCRSEPE-GXSJLCMTSA-N 1 3 184.327 1.620 10 0 ADAEHO CN1C[C@H]2CCC[C@H]2[NH2+]CC1(C)C 74300017 573305731 /nfs/dbraw/zinc/30/57/31/573305731.db2.gz YTXZYRFYOPPZOX-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+]1C[C@H]2CCC[C@H]2NCC1(C)C 74300017 573305737 /nfs/dbraw/zinc/30/57/37/573305737.db2.gz YTXZYRFYOPPZOX-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1C[C@H]2CCC[C@H]2NCC1(C)C 74300017 573305744 /nfs/dbraw/zinc/30/57/44/573305744.db2.gz YTXZYRFYOPPZOX-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C#[N+]c1ccc(CN)cc1 106563065 573305424 /nfs/dbraw/zinc/30/54/24/573305424.db2.gz YRPQEGYDPCXHSA-UHFFFAOYSA-N 1 3 132.166 1.696 10 0 ADAEHO CC[C@@H](C)[C@H]1C[N@H+](CC)CCCN1 82941145 573305501 /nfs/dbraw/zinc/30/55/01/573305501.db2.gz WZGQIWWSJMSMSR-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)[C@H]1C[N@@H+](CC)CCCN1 82941145 573305502 /nfs/dbraw/zinc/30/55/02/573305502.db2.gz WZGQIWWSJMSMSR-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)[C@H]1C[N@H+](C)CCCN1 82941216 573305580 /nfs/dbraw/zinc/30/55/80/573305580.db2.gz SRDRFNMVHYTGBI-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)[C@H]1C[N@@H+](C)CCCN1 82941216 573305588 /nfs/dbraw/zinc/30/55/88/573305588.db2.gz SRDRFNMVHYTGBI-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CN(c1ccncc1)[C@H]1CCC[C@H]1[NH3+] 259075462 573306349 /nfs/dbraw/zinc/30/63/49/573306349.db2.gz QYDJJOPLGPUJFJ-MNOVXSKESA-N 1 3 191.278 1.398 10 0 ADAEHO CCCCC[N@@H+]1CCC[C@H]1CCN 259411045 573306440 /nfs/dbraw/zinc/30/64/40/573306440.db2.gz YPBWERGCKQZURO-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@H+]1CCC[C@H]1CCN 259411045 573306445 /nfs/dbraw/zinc/30/64/45/573306445.db2.gz YPBWERGCKQZURO-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CN(CCC1CC1)CC1(C[NH3+])CCC1 308545582 573306492 /nfs/dbraw/zinc/30/64/92/573306492.db2.gz VRMYYTLPUQOHLH-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCCCCN[C@H](C)C[NH2+]C 162164573 573306632 /nfs/dbraw/zinc/30/66/32/573306632.db2.gz BNHNBQHJSMLMKU-SNVBAGLBSA-N 1 3 172.316 1.764 10 0 ADAEHO C[N@@H+]1CCCC[C@H](CN)[C@@H]1C1CC1 238340748 573306647 /nfs/dbraw/zinc/30/66/47/573306647.db2.gz KTGYCROXBBUWAG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1CCCC[C@H](CN)[C@@H]1C1CC1 238340748 573306653 /nfs/dbraw/zinc/30/66/53/573306653.db2.gz KTGYCROXBBUWAG-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H](CNC)[C@H]([NH2+]C)C1CCC1 259075604 573306744 /nfs/dbraw/zinc/30/67/44/573306744.db2.gz CFXXLYIRCRSEPE-ONGXEEELSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@H](CNC)[C@H]([NH2+]C)C1CCC1 259075599 573307199 /nfs/dbraw/zinc/30/71/99/573307199.db2.gz CFXXLYIRCRSEPE-KOLCDFICSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@H]1C[N@H+](C)[C@H](C)CCN1 82943394 573307275 /nfs/dbraw/zinc/30/72/75/573307275.db2.gz WQDGRMYILVAFDX-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@H]1C[N@@H+](C)[C@H](C)CCN1 82943394 573307277 /nfs/dbraw/zinc/30/72/77/573307277.db2.gz WQDGRMYILVAFDX-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H](N1CCC1)C(C)(C)C[NH3+] 259075852 573307362 /nfs/dbraw/zinc/30/73/62/573307362.db2.gz CGJZNCMCSXUIFM-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]([NH+]1CCC1)C(C)(C)CN 259075852 573307368 /nfs/dbraw/zinc/30/73/68/573307368.db2.gz CGJZNCMCSXUIFM-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@@H]1C[N@H+](C)[C@H](C)CCN1 82943109 573307373 /nfs/dbraw/zinc/30/73/73/573307373.db2.gz OXCYVZFFHFMMEK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@@H]1C[N@@H+](C)[C@H](C)CCN1 82943109 573307378 /nfs/dbraw/zinc/30/73/78/573307378.db2.gz OXCYVZFFHFMMEK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1C 82943302 573307402 /nfs/dbraw/zinc/30/74/02/573307402.db2.gz STQBFOQHWHBNKE-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@H+]1C 82943302 573307409 /nfs/dbraw/zinc/30/74/09/573307409.db2.gz STQBFOQHWHBNKE-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1C 82943302 573307414 /nfs/dbraw/zinc/30/74/14/573307414.db2.gz STQBFOQHWHBNKE-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CN1C[C@@H]2CCC[C@H]2[NH2+]CC1(C)C 74300021 573307559 /nfs/dbraw/zinc/30/75/59/573307559.db2.gz YTXZYRFYOPPZOX-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+]1C[C@@H]2CCC[C@H]2NCC1(C)C 74300021 573307568 /nfs/dbraw/zinc/30/75/68/573307568.db2.gz YTXZYRFYOPPZOX-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1C[C@@H]2CCC[C@H]2NCC1(C)C 74300021 573307581 /nfs/dbraw/zinc/30/75/81/573307581.db2.gz YTXZYRFYOPPZOX-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CN(CC2CC2)[C@H](C)CC[NH2+]1 82943343 573307705 /nfs/dbraw/zinc/30/77/05/573307705.db2.gz RHZAFDHNIDFJRJ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN1CCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258255354 573307796 /nfs/dbraw/zinc/30/77/96/573307796.db2.gz QWENZZNXGMDBJU-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@H]1C[N@@H+](C(C)C)CCCN1 82941564 573307828 /nfs/dbraw/zinc/30/78/28/573307828.db2.gz SDJXBRQEKWMDCM-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]1C[N@H+](C(C)C)CCCN1 82941564 573307832 /nfs/dbraw/zinc/30/78/32/573307832.db2.gz SDJXBRQEKWMDCM-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]1CN(C(C)C)CCC[NH2+]1 82941564 573307835 /nfs/dbraw/zinc/30/78/35/573307835.db2.gz SDJXBRQEKWMDCM-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H](N1CCC1)C(C)(C)C[NH3+] 259075855 573307880 /nfs/dbraw/zinc/30/78/80/573307880.db2.gz CGJZNCMCSXUIFM-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]([NH+]1CCC1)C(C)(C)CN 259075855 573307885 /nfs/dbraw/zinc/30/78/85/573307885.db2.gz CGJZNCMCSXUIFM-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCNC2(CCCC2)C[N@@H+]1C 82943156 573307907 /nfs/dbraw/zinc/30/79/07/573307907.db2.gz BHBWZDGMIZDDJC-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCNC2(CCCC2)C[N@H+]1C 82943156 573307912 /nfs/dbraw/zinc/30/79/12/573307912.db2.gz BHBWZDGMIZDDJC-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CC[NH2+]C2(CCCC2)CN1C 82943156 573307918 /nfs/dbraw/zinc/30/79/18/573307918.db2.gz BHBWZDGMIZDDJC-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@@H+]1CCCN[C@](C)(CC)C1 82942092 573308925 /nfs/dbraw/zinc/30/89/25/573308925.db2.gz LEQDLIOTUMZAJN-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@]1(C)C[N@H+](C)[C@H](C)CCN1 82943627 573308549 /nfs/dbraw/zinc/30/85/49/573308549.db2.gz NCZOZNYNUHLPDY-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@]1(C)C[N@@H+](C)[C@H](C)CCN1 82943627 573308556 /nfs/dbraw/zinc/30/85/56/573308556.db2.gz NCZOZNYNUHLPDY-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@]1(C)CN(C)[C@H](C)CC[NH2+]1 82943627 573308557 /nfs/dbraw/zinc/30/85/57/573308557.db2.gz NCZOZNYNUHLPDY-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CN[C@@H](c1cccc(F)c1)[C@@H](C)C[NH3+] 259411591 573308659 /nfs/dbraw/zinc/30/86/59/573308659.db2.gz MFMYUVLRXUSFFE-GZMMTYOYSA-N 1 3 196.269 1.681 10 0 ADAEHO CCN1CCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258255348 573308702 /nfs/dbraw/zinc/30/87/02/573308702.db2.gz QWENZZNXGMDBJU-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@H+](C)[C@H](C)CCN1 82942396 573308815 /nfs/dbraw/zinc/30/88/15/573308815.db2.gz OBOZXZWMNDOWPB-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@@H+](C)[C@H](C)CCN1 82942396 573308821 /nfs/dbraw/zinc/30/88/21/573308821.db2.gz OBOZXZWMNDOWPB-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([NH3+])CCC1=CCN(C)CC1 258255470 573308843 /nfs/dbraw/zinc/30/88/43/573308843.db2.gz YCXUCJCUZRRMKM-SECBINFHSA-N 1 3 168.284 1.376 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1C 82943550 573308894 /nfs/dbraw/zinc/30/88/94/573308894.db2.gz QRLSRECASHWWGT-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@@H+]1C 82943550 573308898 /nfs/dbraw/zinc/30/88/98/573308898.db2.gz QRLSRECASHWWGT-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](C)N(C)C 259079878 573308904 /nfs/dbraw/zinc/30/89/04/573308904.db2.gz FJPUZNLHZQITBM-DTWKUNHWSA-N 1 3 158.289 1.182 10 0 ADAEHO C[C@@H]1CCN[C@H](C2CC2)C[N@H+]1C 82943550 573308905 /nfs/dbraw/zinc/30/89/05/573308905.db2.gz QRLSRECASHWWGT-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[N@H+]1CCCN[C@](C)(CC)C1 82942092 573308931 /nfs/dbraw/zinc/30/89/31/573308931.db2.gz LEQDLIOTUMZAJN-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCN1CCC[NH2+][C@](C)(CC)C1 82942092 573308936 /nfs/dbraw/zinc/30/89/36/573308936.db2.gz LEQDLIOTUMZAJN-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO C[C@@H](N)c1csc([C@@H]2CC[NH2+]C2)n1 258253585 573308977 /nfs/dbraw/zinc/30/89/77/573308977.db2.gz WXFXFTHSMLLZSD-RNFRBKRXSA-N 1 3 197.307 1.240 10 0 ADAEHO CN[C@H](c1cccc(F)c1)[C@H](C)C[NH3+] 259411595 573309031 /nfs/dbraw/zinc/30/90/31/573309031.db2.gz MFMYUVLRXUSFFE-KCJUWKMLSA-N 1 3 196.269 1.681 10 0 ADAEHO CC[C@H]1C[N@H+](CC)CCCN1 82941828 573309096 /nfs/dbraw/zinc/30/90/96/573309096.db2.gz CWNVJUXJOAEMHF-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H]1C[N@@H+](CC)CCCN1 82941828 573309102 /nfs/dbraw/zinc/30/91/02/573309102.db2.gz CWNVJUXJOAEMHF-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1C 82943216 573309169 /nfs/dbraw/zinc/30/91/69/573309169.db2.gz DXCPQCHPIASENY-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@H+]1C 82943216 573309172 /nfs/dbraw/zinc/30/91/72/573309172.db2.gz DXCPQCHPIASENY-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)CN1C 82943216 573309176 /nfs/dbraw/zinc/30/91/76/573309176.db2.gz DXCPQCHPIASENY-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](C)N(C)C 259079880 573309515 /nfs/dbraw/zinc/30/95/15/573309515.db2.gz FJPUZNLHZQITBM-RKDXNWHRSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[C@@]1(C)C[N@H+](C)[C@H](C)CCN1 82943628 573309520 /nfs/dbraw/zinc/30/95/20/573309520.db2.gz NCZOZNYNUHLPDY-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@]1(C)C[N@@H+](C)[C@H](C)CCN1 82943628 573309524 /nfs/dbraw/zinc/30/95/24/573309524.db2.gz NCZOZNYNUHLPDY-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@]1(C)CN(C)[C@H](C)CC[NH2+]1 82943628 573309530 /nfs/dbraw/zinc/30/95/30/573309530.db2.gz NCZOZNYNUHLPDY-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CN[C@@H](c1cccc(F)c1)[C@H](C)C[NH3+] 259411602 573309567 /nfs/dbraw/zinc/30/95/67/573309567.db2.gz MFMYUVLRXUSFFE-LDYMZIIASA-N 1 3 196.269 1.681 10 0 ADAEHO CCC[C@@H](C[C@@H]1CCC[NH2+]1)N(C)C 259607080 573309732 /nfs/dbraw/zinc/30/97/32/573309732.db2.gz QSSRYPQFHPVVKM-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@]1(C)C[N@H+](C)CCCN1 82942157 573309704 /nfs/dbraw/zinc/30/97/04/573309704.db2.gz HGGNZTSCJSELHG-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@]1(C)C[N@@H+](C)CCCN1 82942157 573309708 /nfs/dbraw/zinc/30/97/08/573309708.db2.gz HGGNZTSCJSELHG-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](C)N(C)C 259079879 573310404 /nfs/dbraw/zinc/31/04/04/573310404.db2.gz FJPUZNLHZQITBM-IUCAKERBSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](C)N(C)C 259079877 573310545 /nfs/dbraw/zinc/31/05/45/573310545.db2.gz FJPUZNLHZQITBM-BDAKNGLRSA-N 1 3 158.289 1.182 10 0 ADAEHO CC[C@H](CCN)[N@H+]1C[C@H]2CCC[C@H]2C1 126071447 573310656 /nfs/dbraw/zinc/31/06/56/573310656.db2.gz YFZHHNVAHNALGI-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1C[C@H]2CCC[C@H]2C1 126071447 573310660 /nfs/dbraw/zinc/31/06/60/573310660.db2.gz YFZHHNVAHNALGI-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[NH2+][C@@H](C2CC2)CN1C 82943556 573310799 /nfs/dbraw/zinc/31/07/99/573310799.db2.gz QRLSRECASHWWGT-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCN[C@@H](C2CC2)C[N@@H+]1C 82943556 573310802 /nfs/dbraw/zinc/31/08/02/573310802.db2.gz QRLSRECASHWWGT-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCN[C@@H](C2CC2)C[N@H+]1C 82943556 573310808 /nfs/dbraw/zinc/31/08/08/573310808.db2.gz QRLSRECASHWWGT-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H]1C[N@H+](CC)CCCN1 82941827 573310832 /nfs/dbraw/zinc/31/08/32/573310832.db2.gz CWNVJUXJOAEMHF-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H]1C[N@@H+](CC)CCCN1 82941827 573310838 /nfs/dbraw/zinc/31/08/38/573310838.db2.gz CWNVJUXJOAEMHF-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[C@H](C[C@@H]1CCC[NH2+]1)N(C)C 259607082 573310841 /nfs/dbraw/zinc/31/08/41/573310841.db2.gz QSSRYPQFHPVVKM-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[C@@H]1CN(C)[C@H](C)CC[NH2+]1 82942306 573310886 /nfs/dbraw/zinc/31/08/86/573310886.db2.gz SCYOPZAWZONRQJ-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)[C@H](C)CCN1 82942306 573310893 /nfs/dbraw/zinc/31/08/93/573310893.db2.gz SCYOPZAWZONRQJ-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)[C@H](C)CCN1 82942306 573310900 /nfs/dbraw/zinc/31/09/00/573310900.db2.gz SCYOPZAWZONRQJ-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)C1CC1 132529024 573311055 /nfs/dbraw/zinc/31/10/55/573311055.db2.gz WGXQHMPHBRCEMD-GHMZBOCLSA-N 1 3 196.338 1.622 10 0 ADAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1C 82943295 573311221 /nfs/dbraw/zinc/31/12/21/573311221.db2.gz STQBFOQHWHBNKE-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[N@@H+]1CCC[C@@H](CN)[C@@H]1C1CC1 238345802 573311223 /nfs/dbraw/zinc/31/12/23/573311223.db2.gz SZQCAQDZEQNGBN-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@H+]1C 82943295 573311227 /nfs/dbraw/zinc/31/12/27/573311227.db2.gz STQBFOQHWHBNKE-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[N@H+]1CCC[C@@H](CN)[C@@H]1C1CC1 238345802 573311229 /nfs/dbraw/zinc/31/12/29/573311229.db2.gz SZQCAQDZEQNGBN-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)CN1C 82943295 573311232 /nfs/dbraw/zinc/31/12/32/573311232.db2.gz STQBFOQHWHBNKE-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CN1CCC[C@@H](C[NH3+])[C@@H]1C1CC1 238345802 573311238 /nfs/dbraw/zinc/31/12/38/573311238.db2.gz SZQCAQDZEQNGBN-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1C 82943219 573311335 /nfs/dbraw/zinc/31/13/35/573311335.db2.gz DXCPQCHPIASENY-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[N@H+]1C 82943219 573311341 /nfs/dbraw/zinc/31/13/41/573311341.db2.gz DXCPQCHPIASENY-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1C 82943219 573311344 /nfs/dbraw/zinc/31/13/44/573311344.db2.gz DXCPQCHPIASENY-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H](N)c1csc([C@H]2CC[NH2+]C2)n1 258253578 573311360 /nfs/dbraw/zinc/31/13/60/573311360.db2.gz WXFXFTHSMLLZSD-BQBZGAKWSA-N 1 3 197.307 1.240 10 0 ADAEHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)C1CC1 132529255 573311460 /nfs/dbraw/zinc/31/14/60/573311460.db2.gz WGXQHMPHBRCEMD-QWRGUYRKSA-N 1 3 196.338 1.622 10 0 ADAEHO CC[N@@H+]1CCCN[C@H](C2CC2)C1 82942022 573311534 /nfs/dbraw/zinc/31/15/34/573311534.db2.gz VGVRWVXAVTVYRD-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@H+]1CCCN[C@H](C2CC2)C1 82942022 573311539 /nfs/dbraw/zinc/31/15/39/573311539.db2.gz VGVRWVXAVTVYRD-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1C 82943299 573311599 /nfs/dbraw/zinc/31/15/99/573311599.db2.gz STQBFOQHWHBNKE-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@H+]1C 82943299 573311603 /nfs/dbraw/zinc/31/16/03/573311603.db2.gz STQBFOQHWHBNKE-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)CN1C 82943299 573311609 /nfs/dbraw/zinc/31/16/09/573311609.db2.gz STQBFOQHWHBNKE-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC[C@@H](C[C@H]1CCC[NH2+]1)N(C)C 259607078 573311611 /nfs/dbraw/zinc/31/16/11/573311611.db2.gz QSSRYPQFHPVVKM-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+]1CCCNC2(CCCC2)C1 82941641 573311625 /nfs/dbraw/zinc/31/16/25/573311625.db2.gz KBEZNOJCTZYHLA-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CC[N@H+]1CCCNC2(CCCC2)C1 82941641 573311632 /nfs/dbraw/zinc/31/16/32/573311632.db2.gz KBEZNOJCTZYHLA-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CCN1CCC[NH2+]C2(CCCC2)C1 82941641 573311639 /nfs/dbraw/zinc/31/16/39/573311639.db2.gz KBEZNOJCTZYHLA-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)[C@@H](C)CCN1 82942311 573312496 /nfs/dbraw/zinc/31/24/96/573312496.db2.gz SCYOPZAWZONRQJ-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)[C@@H](C)CCN1 82942311 573312499 /nfs/dbraw/zinc/31/24/99/573312499.db2.gz SCYOPZAWZONRQJ-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CCC[C@@H]1C[N@H+](CC)CCCN1 82941562 573312525 /nfs/dbraw/zinc/31/25/25/573312525.db2.gz TXFXIMBQKAGATJ-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[C@@H]1C[N@@H+](CC)CCCN1 82941562 573312531 /nfs/dbraw/zinc/31/25/31/573312531.db2.gz TXFXIMBQKAGATJ-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1C[C@H]2CCC[C@H]2C1 126071278 573312557 /nfs/dbraw/zinc/31/25/57/573312557.db2.gz YFZHHNVAHNALGI-TUAOUCFPSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1C[C@H]2CCC[C@H]2C1 126071278 573312561 /nfs/dbraw/zinc/31/25/61/573312561.db2.gz YFZHHNVAHNALGI-TUAOUCFPSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[C@@H]1C[N@H+](C)[C@@H](C)CCN1 82942798 573314006 /nfs/dbraw/zinc/31/40/06/573314006.db2.gz FJQPHPWKQQQYBX-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[C@@H]1C[N@@H+](C)[C@@H](C)CCN1 82942798 573314009 /nfs/dbraw/zinc/31/40/09/573314009.db2.gz FJQPHPWKQQQYBX-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC[C@H]1C[N@@H+](CC)[C@H](C)CCN1 82943069 573315139 /nfs/dbraw/zinc/31/51/39/573315139.db2.gz NTUWORPEMOZQQI-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]1CN(CC)[C@H](C)CC[NH2+]1 82943069 573315143 /nfs/dbraw/zinc/31/51/43/573315143.db2.gz NTUWORPEMOZQQI-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO Cc1sc([C@H]2CCC[NH2+]C2)nc1O 106861102 573315478 /nfs/dbraw/zinc/31/54/78/573315478.db2.gz VODFFCVYJWKBDA-ZETCQYMHSA-N 1 3 198.291 1.624 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)CC(C)=C1CNC1 129486313 573315480 /nfs/dbraw/zinc/31/54/80/573315480.db2.gz DKZNNKMMPKRQNM-SNVBAGLBSA-N 1 3 196.338 1.884 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)CC(C)=C1CNC1 129486313 573315486 /nfs/dbraw/zinc/31/54/86/573315486.db2.gz DKZNNKMMPKRQNM-SNVBAGLBSA-N 1 3 196.338 1.884 10 0 ADAEHO C[N@@H+]1CCCC[C@]1(C)CCN 259084245 573315974 /nfs/dbraw/zinc/31/59/74/573315974.db2.gz CTXUQLRGAKGTBL-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO C[N@H+]1CCCC[C@]1(C)CCN 259084245 573315979 /nfs/dbraw/zinc/31/59/79/573315979.db2.gz CTXUQLRGAKGTBL-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CN1CCCC[C@]1(C)CC[NH3+] 259084245 573315982 /nfs/dbraw/zinc/31/59/82/573315982.db2.gz CTXUQLRGAKGTBL-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO C[N@@H+]1CCC[C@H](CN)[C@@H]1C1CC1 238350674 573316405 /nfs/dbraw/zinc/31/64/05/573316405.db2.gz SZQCAQDZEQNGBN-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CCC[C@H](CN)[C@@H]1C1CC1 238350674 573316408 /nfs/dbraw/zinc/31/64/08/573316408.db2.gz SZQCAQDZEQNGBN-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1CCC[C@H](C[NH3+])[C@@H]1C1CC1 238350674 573316411 /nfs/dbraw/zinc/31/64/11/573316411.db2.gz SZQCAQDZEQNGBN-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](c1cc[nH]c1)N(C)C 259413836 573316426 /nfs/dbraw/zinc/31/64/26/573316426.db2.gz HUKMXWYVWBLBAM-WPRPVWTQSA-N 1 3 181.283 1.212 10 0 ADAEHO C[N@H+](CCC1CC1)C[C@H]1CCC[C@@H]1N 308552379 573316669 /nfs/dbraw/zinc/31/66/69/573316669.db2.gz YBOHRGUZGWULHR-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CCC1CC1)C[C@H]1CCC[C@@H]1N 308552379 573316671 /nfs/dbraw/zinc/31/66/71/573316671.db2.gz YBOHRGUZGWULHR-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(CCC1CC1)C[C@H]1CCC[C@@H]1[NH3+] 308552379 573316673 /nfs/dbraw/zinc/31/66/73/573316673.db2.gz YBOHRGUZGWULHR-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C[N@@H+](C)CC(C)C)=C1CNC1 129480715 573316805 /nfs/dbraw/zinc/31/68/05/573316805.db2.gz ZGKMXPDRHJWTJF-UHFFFAOYSA-N 1 3 182.311 1.494 10 0 ADAEHO CC(C[N@H+](C)CC(C)C)=C1CNC1 129480715 573316807 /nfs/dbraw/zinc/31/68/07/573316807.db2.gz ZGKMXPDRHJWTJF-UHFFFAOYSA-N 1 3 182.311 1.494 10 0 ADAEHO C[C@H](C[C@@H]1CCC[NH2+]1)NC1CC=CC1 132588050 573316811 /nfs/dbraw/zinc/31/68/11/573316811.db2.gz WJKFHICXYUFTHH-PWSUYJOCSA-N 1 3 194.322 1.825 10 0 ADAEHO C[C@H]([NH3+])CCC1=CCN(C)CC1 258257148 573317033 /nfs/dbraw/zinc/31/70/33/573317033.db2.gz YCXUCJCUZRRMKM-VIFPVBQESA-N 1 3 168.284 1.376 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H](C)N1CCCC1 74310696 573317119 /nfs/dbraw/zinc/31/71/19/573317119.db2.gz BSQLLACSHPDGPA-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@@H+]1CCCC[C@@]1(C)CCN 259084247 573317271 /nfs/dbraw/zinc/31/72/71/573317271.db2.gz CTXUQLRGAKGTBL-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO C[N@H+]1CCCC[C@@]1(C)CCN 259084247 573317275 /nfs/dbraw/zinc/31/72/75/573317275.db2.gz CTXUQLRGAKGTBL-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CN1CCCC[C@@]1(C)CC[NH3+] 259084247 573317280 /nfs/dbraw/zinc/31/72/80/573317280.db2.gz CTXUQLRGAKGTBL-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[C@H]([NH3+])[C@H](C)N1CCCC1 74310699 573317808 /nfs/dbraw/zinc/31/78/08/573317808.db2.gz BSQLLACSHPDGPA-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H](C)N1CCCC1 74310698 573317846 /nfs/dbraw/zinc/31/78/46/573317846.db2.gz BSQLLACSHPDGPA-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@@H+]1CCC[C@@H](CN)C1(C)C 259415187 573318013 /nfs/dbraw/zinc/31/80/13/573318013.db2.gz NBGXWEJHADHJSL-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CCC[C@@H](CN)C1(C)C 259415187 573318016 /nfs/dbraw/zinc/31/80/16/573318016.db2.gz NBGXWEJHADHJSL-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@]1(CCN2CCCC2)CCC[NH2+]1 258303813 573318037 /nfs/dbraw/zinc/31/80/37/573318037.db2.gz UXZJKEBLCSPWCT-NSHDSACASA-N 1 3 182.311 1.614 10 0 ADAEHO C[C@@H](C[NH3+])C[C@H](c1ccc[nH]1)N(C)C 259416677 573318147 /nfs/dbraw/zinc/31/81/47/573318147.db2.gz HXFJTCFBVXEZIA-MWLCHTKSSA-N 1 3 195.310 1.602 10 0 ADAEHO CCC[C@@H]1CC[N@H+](CCCNC)C1 132542504 573318572 /nfs/dbraw/zinc/31/85/72/573318572.db2.gz ADKVGFBOJPRJGX-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[C@@H]1CC[N@@H+](CCCNC)C1 132542504 573318575 /nfs/dbraw/zinc/31/85/75/573318575.db2.gz ADKVGFBOJPRJGX-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[C@@H]1CCN(CCC[NH2+]C)C1 132542504 573318579 /nfs/dbraw/zinc/31/85/79/573318579.db2.gz ADKVGFBOJPRJGX-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCN(CC)C[C@@H]1CCC[NH2+][C@H]1C 308347952 573318582 /nfs/dbraw/zinc/31/85/82/573318582.db2.gz WMSJCZFAURZEPB-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH+](CC)C[C@@H]1CCCN[C@H]1C 308347952 573318586 /nfs/dbraw/zinc/31/85/86/573318586.db2.gz WMSJCZFAURZEPB-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H](C[C@H]1CCC[NH2+]1)NC1CC=CC1 132588270 573318670 /nfs/dbraw/zinc/31/86/70/573318670.db2.gz WJKFHICXYUFTHH-CMPLNLGQSA-N 1 3 194.322 1.825 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](CCNC2CC2)C1 132541805 573318975 /nfs/dbraw/zinc/31/89/75/573318975.db2.gz JAAGQSKUMCWWNA-LLVKDONJSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](CCNC2CC2)C1 132541805 573318982 /nfs/dbraw/zinc/31/89/82/573318982.db2.gz JAAGQSKUMCWWNA-LLVKDONJSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@]1(CCN2CCCC2)CCC[NH2+]1 258303812 573319045 /nfs/dbraw/zinc/31/90/45/573319045.db2.gz UXZJKEBLCSPWCT-LLVKDONJSA-N 1 3 182.311 1.614 10 0 ADAEHO C[N@H+](CCC1CC1)C[C@@H]1CCC[C@H]1N 308552380 573319149 /nfs/dbraw/zinc/31/91/49/573319149.db2.gz YBOHRGUZGWULHR-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CCC1CC1)C[C@@H]1CCC[C@H]1N 308552380 573319155 /nfs/dbraw/zinc/31/91/55/573319155.db2.gz YBOHRGUZGWULHR-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(CCC1CC1)C[C@@H]1CCC[C@H]1[NH3+] 308552380 573319159 /nfs/dbraw/zinc/31/91/59/573319159.db2.gz YBOHRGUZGWULHR-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@H]1CC[C@H](C)C1 129494161 573319223 /nfs/dbraw/zinc/31/92/23/573319223.db2.gz VQURJYXIYXJPHU-AXFHLTTASA-N 1 3 184.327 1.750 10 0 ADAEHO Cc1sc([C@@H]2CCC[NH2+]C2)nc1O 106861100 573319237 /nfs/dbraw/zinc/31/92/37/573319237.db2.gz VODFFCVYJWKBDA-SSDOTTSWSA-N 1 3 198.291 1.624 10 0 ADAEHO C[C@H](C[NH3+])C[C@H](c1ccc[nH]1)N(C)C 259416674 573319319 /nfs/dbraw/zinc/31/93/19/573319319.db2.gz HXFJTCFBVXEZIA-GXSJLCMTSA-N 1 3 195.310 1.602 10 0 ADAEHO CCN(CC)C[C@H]1CCC[NH2+][C@@H]1C 308347950 573319592 /nfs/dbraw/zinc/31/95/92/573319592.db2.gz WMSJCZFAURZEPB-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH+](CC)C[C@H]1CCCN[C@@H]1C 308347950 573319598 /nfs/dbraw/zinc/31/95/98/573319598.db2.gz WMSJCZFAURZEPB-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@H+](CCC1CC1)C[C@@H]1CCC[C@@H]1N 308552381 573320066 /nfs/dbraw/zinc/32/00/66/573320066.db2.gz YBOHRGUZGWULHR-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CCC1CC1)C[C@@H]1CCC[C@@H]1N 308552381 573320072 /nfs/dbraw/zinc/32/00/72/573320072.db2.gz YBOHRGUZGWULHR-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(CCC1CC1)C[C@@H]1CCC[C@@H]1[NH3+] 308552381 573320074 /nfs/dbraw/zinc/32/00/74/573320074.db2.gz YBOHRGUZGWULHR-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](C[NH3+])C[C@@H](c1ccc[nH]1)N(C)C 259416679 573320580 /nfs/dbraw/zinc/32/05/80/573320580.db2.gz HXFJTCFBVXEZIA-ONGXEEELSA-N 1 3 195.310 1.602 10 0 ADAEHO CCN(CC)C[C@@H]1CCC[NH2+][C@@H]1C 308347951 573320733 /nfs/dbraw/zinc/32/07/33/573320733.db2.gz WMSJCZFAURZEPB-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH+](CC)C[C@@H]1CCCN[C@@H]1C 308347951 573320737 /nfs/dbraw/zinc/32/07/37/573320737.db2.gz WMSJCZFAURZEPB-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC1(C)C([NH2+]C2CCNCC2)C1(C)C 86239762 573320935 /nfs/dbraw/zinc/32/09/35/573320935.db2.gz QTGGDULASNPUBW-UHFFFAOYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1(C)C(NC2CC[NH2+]CC2)C1(C)C 86239762 573320940 /nfs/dbraw/zinc/32/09/40/573320940.db2.gz QTGGDULASNPUBW-UHFFFAOYSA-N 1 3 196.338 1.763 10 0 ADAEHO CCN(CC)C[C@H]1CCC[NH2+][C@H]1C 308347953 573320977 /nfs/dbraw/zinc/32/09/77/573320977.db2.gz WMSJCZFAURZEPB-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H]1CCN([C@@H](C)C[NH3+])C1 132540719 573320978 /nfs/dbraw/zinc/32/09/78/573320978.db2.gz GRGSHVCTMBINMW-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)C[C@H]1CCCN[C@H]1C 308347953 573320981 /nfs/dbraw/zinc/32/09/81/573320981.db2.gz WMSJCZFAURZEPB-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H]1CC[N@H+](CCCNC)C1 132542681 573321233 /nfs/dbraw/zinc/32/12/33/573321233.db2.gz ADKVGFBOJPRJGX-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[C@H]1CC[N@@H+](CCCNC)C1 132542681 573321237 /nfs/dbraw/zinc/32/12/37/573321237.db2.gz ADKVGFBOJPRJGX-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[C@H]1CCN(CCC[NH2+]C)C1 132542681 573321240 /nfs/dbraw/zinc/32/12/40/573321240.db2.gz ADKVGFBOJPRJGX-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](CCNC2CC2)C1 132542010 573321319 /nfs/dbraw/zinc/32/13/19/573321319.db2.gz JAAGQSKUMCWWNA-NSHDSACASA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](CCNC2CC2)C1 132542010 573321324 /nfs/dbraw/zinc/32/13/24/573321324.db2.gz JAAGQSKUMCWWNA-NSHDSACASA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC1CC=CC1 132587844 573322433 /nfs/dbraw/zinc/32/24/33/573322433.db2.gz WJKFHICXYUFTHH-JQWIXIFHSA-N 1 3 194.322 1.825 10 0 ADAEHO CCC[C@@H]1CCN([C@@H](C)C[NH3+])C1 132540512 573321409 /nfs/dbraw/zinc/32/14/09/573321409.db2.gz GRGSHVCTMBINMW-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)CCN1CC[NH2+]CC2(CC2)C1 106873864 573321636 /nfs/dbraw/zinc/32/16/36/573321636.db2.gz GJEZFKCOWVRQKL-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H](C[C@H]1CCC[NH2+]1)NC1CC=CC1 132588488 573321670 /nfs/dbraw/zinc/32/16/70/573321670.db2.gz WJKFHICXYUFTHH-ZYHUDNBSSA-N 1 3 194.322 1.825 10 0 ADAEHO C[N@H+](CCC1CC1)C[C@H]1CCC[C@H]1N 308552382 573322062 /nfs/dbraw/zinc/32/20/62/573322062.db2.gz YBOHRGUZGWULHR-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@@H+](CCC1CC1)C[C@H]1CCC[C@H]1N 308552382 573322068 /nfs/dbraw/zinc/32/20/68/573322068.db2.gz YBOHRGUZGWULHR-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(CCC1CC1)C[C@H]1CCC[C@H]1[NH3+] 308552382 573322074 /nfs/dbraw/zinc/32/20/74/573322074.db2.gz YBOHRGUZGWULHR-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](C[NH3+])C[C@@H](c1ccc[nH]1)N(C)C 259416676 573322277 /nfs/dbraw/zinc/32/22/77/573322277.db2.gz HXFJTCFBVXEZIA-KOLCDFICSA-N 1 3 195.310 1.602 10 0 ADAEHO C[C@@H]1CC([NH+](C)C)C[C@@H](C)N1 74342452 573327531 /nfs/dbraw/zinc/32/75/31/573327531.db2.gz GFDSIANBKATBQV-HTQZYQBOSA-N 1 3 156.273 1.077 10 0 ADAEHO C[NH2+]CCC[C@@H](N)c1ccccn1 259082669 573327539 /nfs/dbraw/zinc/32/75/39/573327539.db2.gz AAKZUXMVLKWMJD-SECBINFHSA-N 1 3 179.267 1.081 10 0 ADAEHO CC(C)C[NH2+]CC[C@H]1CCCCN1 258630257 573327196 /nfs/dbraw/zinc/32/71/96/573327196.db2.gz CZLACSMPNYKOHU-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO CC1(C)C(CN2CC[C@@H]([NH3+])C2)C1(C)C 86240369 573327209 /nfs/dbraw/zinc/32/72/09/573327209.db2.gz ICBKIZAYGIWFJZ-SECBINFHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)C(NCC2([NH3+])CC2)C1(C)C 86241141 573327350 /nfs/dbraw/zinc/32/73/50/573327350.db2.gz YZACZOFYBARGPN-UHFFFAOYSA-N 1 3 182.311 1.502 10 0 ADAEHO CCC[C@@H]([NH+](C)C)C(C)(C)N 259606879 573327434 /nfs/dbraw/zinc/32/74/34/573327434.db2.gz QRKCXUXZIAAVTM-MRVPVSSYSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[C@H]([NH+](C)C)C(C)(C)N 259606883 573327476 /nfs/dbraw/zinc/32/74/76/573327476.db2.gz QRKCXUXZIAAVTM-QMMMGPOBSA-N 1 3 158.289 1.454 10 0 ADAEHO [NH3+][C@@H](C1CCC1)[C@@H]1CCCCN1 259420650 573330939 /nfs/dbraw/zinc/33/09/39/573330939.db2.gz OZRBKWULMXEDJZ-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO C[NH2+]CCC[C@H](N)c1ccccn1 259082672 573330270 /nfs/dbraw/zinc/33/02/70/573330270.db2.gz AAKZUXMVLKWMJD-VIFPVBQESA-N 1 3 179.267 1.081 10 0 ADAEHO C[C@H]1CC([NH+](C)C)C[C@H](C)N1 74342451 573330490 /nfs/dbraw/zinc/33/04/90/573330490.db2.gz GFDSIANBKATBQV-YUMQZZPRSA-N 1 3 156.273 1.077 10 0 ADAEHO [NH3+][C@H](C1CCC1)[C@@H]1CCCCN1 259420652 573330616 /nfs/dbraw/zinc/33/06/16/573330616.db2.gz OZRBKWULMXEDJZ-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO CCCC[NH2+]CC1(CNC)CCC1 258631794 573332472 /nfs/dbraw/zinc/33/24/72/573332472.db2.gz KUGLYJCEOQSHFB-UHFFFAOYSA-N 1 3 184.327 1.766 10 0 ADAEHO C/C=C\C[N@@H+](CC)C1CCNCC1 215164858 573332718 /nfs/dbraw/zinc/33/27/18/573332718.db2.gz AWPRAULTXWYSKI-HYXAFXHYSA-N 1 3 182.311 1.636 10 0 ADAEHO C/C=C\C[N@H+](CC)C1CCNCC1 215164858 573332724 /nfs/dbraw/zinc/33/27/24/573332724.db2.gz AWPRAULTXWYSKI-HYXAFXHYSA-N 1 3 182.311 1.636 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+][C@@H]1CCC1(C)C 308560529 573333045 /nfs/dbraw/zinc/33/30/45/573333045.db2.gz XAIXZIDFHIGMSH-WDEREUQCSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@H]1CC[NH2+]C2(CCCCC2)CN1 82961008 573334966 /nfs/dbraw/zinc/33/49/66/573334966.db2.gz DYMQPCYMVAQVFG-JTQLQIEISA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@H]1CCNC2(CCCCC2)C[NH2+]1 82961008 573334971 /nfs/dbraw/zinc/33/49/71/573334971.db2.gz DYMQPCYMVAQVFG-JTQLQIEISA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1 82961030 573334986 /nfs/dbraw/zinc/33/49/86/573334986.db2.gz FHKNDPAJKRDDJF-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[NH2+]1 82961030 573334991 /nfs/dbraw/zinc/33/49/91/573334991.db2.gz FHKNDPAJKRDDJF-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)C[C@H]1CN[C@H](C)CC[NH2+]1 82961015 573335073 /nfs/dbraw/zinc/33/50/73/573335073.db2.gz VYFYAODRXJOWLA-ZJUUUORDSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)C[C@H]1C[NH2+][C@H](C)CCN1 82961015 573335075 /nfs/dbraw/zinc/33/50/75/573335075.db2.gz VYFYAODRXJOWLA-ZJUUUORDSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1CCN[C@](C)(C2CC2)C[NH2+]1 82961028 573335331 /nfs/dbraw/zinc/33/53/31/573335331.db2.gz BYSJYXSQSCXCRQ-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1 82961028 573335335 /nfs/dbraw/zinc/33/53/35/573335335.db2.gz BYSJYXSQSCXCRQ-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CC[NH2+][C@@H](C2CCCCC2)CN1 82961040 573335357 /nfs/dbraw/zinc/33/53/57/573335357.db2.gz YGYLONVXEHXPTO-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CCN[C@@H](C2CCCCC2)C[NH2+]1 82961040 573335363 /nfs/dbraw/zinc/33/53/63/573335363.db2.gz YGYLONVXEHXPTO-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@]1(C)C[NH2+][C@H](C)CCN1 82961049 573335372 /nfs/dbraw/zinc/33/53/72/573335372.db2.gz MVNOQDUYECDMRH-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@]1(C)CN[C@H](C)CC[NH2+]1 82961049 573335376 /nfs/dbraw/zinc/33/53/76/573335376.db2.gz MVNOQDUYECDMRH-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CN[C@H](C[NH3+])C[C@H](C)c1ccccc1 50270036 573335380 /nfs/dbraw/zinc/33/53/80/573335380.db2.gz ZYYYTMVIWNYYIX-JQWIXIFHSA-N 1 3 192.306 1.727 10 0 ADAEHO CCC[C@H]1CN[C@@H](C)CC[NH2+]1 82961022 573335388 /nfs/dbraw/zinc/33/53/88/573335388.db2.gz GTJPRZKEEGAEPY-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@H]1C[NH2+][C@@H](C)CCN1 82961022 573335392 /nfs/dbraw/zinc/33/53/92/573335392.db2.gz GTJPRZKEEGAEPY-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@@H]1CN[C@@H](C)CC[NH2+]1 82961021 573335424 /nfs/dbraw/zinc/33/54/24/573335424.db2.gz GTJPRZKEEGAEPY-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@@H]1C[NH2+][C@@H](C)CCN1 82961021 573335426 /nfs/dbraw/zinc/33/54/26/573335426.db2.gz GTJPRZKEEGAEPY-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@@](C)([NH3+])CNC1CC(C2CC2)C1 714670634 573335519 /nfs/dbraw/zinc/33/55/19/573335519.db2.gz NKDHDDSOXPFLBQ-HTAVTVPLSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)C[C@H]1CN[C@@H](C)CC[NH2+]1 82961016 573335531 /nfs/dbraw/zinc/33/55/31/573335531.db2.gz VYFYAODRXJOWLA-UWVGGRQHSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)C[C@H]1C[NH2+][C@@H](C)CCN1 82961016 573335536 /nfs/dbraw/zinc/33/55/36/573335536.db2.gz VYFYAODRXJOWLA-UWVGGRQHSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1CC[C@@H]2[C@H](C[C@@H](C[NH3+])CN2C)C1 251942443 573335743 /nfs/dbraw/zinc/33/57/43/573335743.db2.gz WCMYOLPOKDLTNZ-NOOOWODRSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[N@@H+]1CCCNCC(C)(C)C1 259422025 573335935 /nfs/dbraw/zinc/33/59/35/573335935.db2.gz NLDJGQWCMOBIKK-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[N@H+]1CCCNCC(C)(C)C1 259422025 573335941 /nfs/dbraw/zinc/33/59/41/573335941.db2.gz NLDJGQWCMOBIKK-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)N1CCC[NH2+]CC(C)(C)C1 259422025 573335948 /nfs/dbraw/zinc/33/59/48/573335948.db2.gz NLDJGQWCMOBIKK-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CCC[C@@H]2[C@@H]([NH3+])CCC[C@@H]21 222668242 573336032 /nfs/dbraw/zinc/33/60/32/573336032.db2.gz MFYUOWOOTSDNOP-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)CN1 82961029 573336294 /nfs/dbraw/zinc/33/62/94/573336294.db2.gz FHKNDPAJKRDDJF-BDAKNGLRSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1CCN[C@H](C(C)(C)C)C[NH2+]1 82961029 573336300 /nfs/dbraw/zinc/33/63/00/573336300.db2.gz FHKNDPAJKRDDJF-BDAKNGLRSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[NH2+]CC(C)=C1CNC1 129530483 573336399 /nfs/dbraw/zinc/33/63/99/573336399.db2.gz WDPRCLKQHAQORL-VIFPVBQESA-N 1 3 168.284 1.294 10 0 ADAEHO CN[C@@H](C[NH3+])C[C@H](C)c1ccccc1 50270038 573336535 /nfs/dbraw/zinc/33/65/35/573336535.db2.gz ZYYYTMVIWNYYIX-CMPLNLGQSA-N 1 3 192.306 1.727 10 0 ADAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[NH2+]1 82961027 573338666 /nfs/dbraw/zinc/33/86/66/573338666.db2.gz BYSJYXSQSCXCRQ-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO C1CCC([C@H]2C[NH2+]CCCN2)CC1 82960983 573338418 /nfs/dbraw/zinc/33/84/18/573338418.db2.gz GQNMZTZZDOUIMP-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1 82961027 573338671 /nfs/dbraw/zinc/33/86/71/573338671.db2.gz BYSJYXSQSCXCRQ-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO CN[C@H](C[NH3+])C[C@@H](C)c1ccccc1 50270037 573338483 /nfs/dbraw/zinc/33/84/83/573338483.db2.gz ZYYYTMVIWNYYIX-PWSUYJOCSA-N 1 3 192.306 1.727 10 0 ADAEHO CC[C@H](C)N(CC[NH3+])c1ccncc1 308554696 573339310 /nfs/dbraw/zinc/33/93/10/573339310.db2.gz UNQYWXYMJOCVDU-JTQLQIEISA-N 1 3 193.294 1.645 10 0 ADAEHO CCC1(CC)CN[C@H](C)CC[NH2+]1 82961053 573339375 /nfs/dbraw/zinc/33/93/75/573339375.db2.gz LMTOUZOKHWTFSR-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO CCC1(CC)C[NH2+][C@H](C)CCN1 82961053 573339383 /nfs/dbraw/zinc/33/93/83/573339383.db2.gz LMTOUZOKHWTFSR-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@]1(C)C[NH2+][C@H](C)CCN1 82961050 573339567 /nfs/dbraw/zinc/33/95/67/573339567.db2.gz MVNOQDUYECDMRH-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@@]1(C)CN[C@H](C)CC[NH2+]1 82961050 573339573 /nfs/dbraw/zinc/33/95/73/573339573.db2.gz MVNOQDUYECDMRH-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@H]1CC[NH2+][C@H](C2CCCCC2)CN1 82961038 573339587 /nfs/dbraw/zinc/33/95/87/573339587.db2.gz YGYLONVXEHXPTO-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CCN[C@H](C2CCCCC2)C[NH2+]1 82961038 573339590 /nfs/dbraw/zinc/33/95/90/573339590.db2.gz YGYLONVXEHXPTO-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H](CC(C)C)CC(C)(C)N 259423417 573339693 /nfs/dbraw/zinc/33/96/93/573339693.db2.gz NOMLTDLRDXNWKO-SECBINFHSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)CN1 82961039 573339790 /nfs/dbraw/zinc/33/97/90/573339790.db2.gz YGYLONVXEHXPTO-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCN[C@@H](C2CCCCC2)C[NH2+]1 82961039 573339793 /nfs/dbraw/zinc/33/97/93/573339793.db2.gz YGYLONVXEHXPTO-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C2CCCCC2)CN1 82961037 573339896 /nfs/dbraw/zinc/33/98/96/573339896.db2.gz YGYLONVXEHXPTO-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCN[C@H](C2CCCCC2)C[NH2+]1 82961037 573339901 /nfs/dbraw/zinc/33/99/01/573339901.db2.gz YGYLONVXEHXPTO-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CCNC2(CCCC2)C[NH2+]1 82961024 573339916 /nfs/dbraw/zinc/33/99/16/573339916.db2.gz YNXUBZCESUUJMH-VIFPVBQESA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@H]1CC[NH2+]C2(CCCC2)CN1 82961024 573339924 /nfs/dbraw/zinc/33/99/24/573339924.db2.gz YNXUBZCESUUJMH-VIFPVBQESA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@@]1(C)C[NH2+][C@@H](C)CCN1 82961052 573340058 /nfs/dbraw/zinc/34/00/58/573340058.db2.gz MVNOQDUYECDMRH-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@@]1(C)CN[C@@H](C)CC[NH2+]1 82961052 573340065 /nfs/dbraw/zinc/34/00/65/573340065.db2.gz MVNOQDUYECDMRH-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CN[C@@H](C[NH3+])C[C@@H](C)c1ccccc1 50270039 573340073 /nfs/dbraw/zinc/34/00/73/573340073.db2.gz ZYYYTMVIWNYYIX-ZYHUDNBSSA-N 1 3 192.306 1.727 10 0 ADAEHO CC[C@H](CNC)[C@@H](CC(C)C)[NH2+]C 259086988 573341414 /nfs/dbraw/zinc/34/14/14/573341414.db2.gz CZYRVXRHTYXOHG-GHMZBOCLSA-N 1 3 186.343 1.866 10 0 ADAEHO CC[C@]1(C)C[NH2+][C@@H](C)CCN1 82961051 573340361 /nfs/dbraw/zinc/34/03/61/573340361.db2.gz MVNOQDUYECDMRH-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@]1(C)CN[C@@H](C)CC[NH2+]1 82961051 573340374 /nfs/dbraw/zinc/34/03/74/573340374.db2.gz MVNOQDUYECDMRH-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@H](C)[C@@H]1CN[C@H](C)CC[NH2+]1 82961000 573340681 /nfs/dbraw/zinc/34/06/81/573340681.db2.gz FJRDVZLDKKWTBT-AEJSXWLSSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[C@@H]1C[NH2+][C@H](C)CCN1 82961000 573340684 /nfs/dbraw/zinc/34/06/84/573340684.db2.gz FJRDVZLDKKWTBT-AEJSXWLSSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@@H](CNC)[C@@H](CC(C)C)[NH2+]C 259086999 573340695 /nfs/dbraw/zinc/34/06/95/573340695.db2.gz CZYRVXRHTYXOHG-WDEREUQCSA-N 1 3 186.343 1.866 10 0 ADAEHO CC(C)C[C@@H]1CN[C@H](C)CC[NH2+]1 82961013 573340849 /nfs/dbraw/zinc/34/08/49/573340849.db2.gz VYFYAODRXJOWLA-NXEZZACHSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)C[C@@H]1C[NH2+][C@H](C)CCN1 82961013 573340855 /nfs/dbraw/zinc/34/08/55/573340855.db2.gz VYFYAODRXJOWLA-NXEZZACHSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1 82961032 573340872 /nfs/dbraw/zinc/34/08/72/573340872.db2.gz FHKNDPAJKRDDJF-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1CCN[C@@H](C(C)(C)C)C[NH2+]1 82961032 573340876 /nfs/dbraw/zinc/34/08/76/573340876.db2.gz FHKNDPAJKRDDJF-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@@H](CNC)[C@H](CC(C)C)[NH2+]C 259086995 573340883 /nfs/dbraw/zinc/34/08/83/573340883.db2.gz CZYRVXRHTYXOHG-QWRGUYRKSA-N 1 3 186.343 1.866 10 0 ADAEHO CCCC[C@H](C[NH3+])NC1CC1 50271365 573340887 /nfs/dbraw/zinc/34/08/87/573340887.db2.gz PIPNCKOYNWHBIR-SECBINFHSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@@H]1CCN[C@@](C)(C2CC2)C[NH2+]1 82961025 573340920 /nfs/dbraw/zinc/34/09/20/573340920.db2.gz BYSJYXSQSCXCRQ-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)CN1 82961025 573340925 /nfs/dbraw/zinc/34/09/25/573340925.db2.gz BYSJYXSQSCXCRQ-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CCN[C@@](C)(C2CC2)C[NH2+]1 82961026 573340943 /nfs/dbraw/zinc/34/09/43/573340943.db2.gz BYSJYXSQSCXCRQ-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1 82961026 573340948 /nfs/dbraw/zinc/34/09/48/573340948.db2.gz BYSJYXSQSCXCRQ-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO CC(C)C[C@@H]1CN[C@@H](C)CC[NH2+]1 82961014 573341096 /nfs/dbraw/zinc/34/10/96/573341096.db2.gz VYFYAODRXJOWLA-VHSXEESVSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)C[C@@H]1C[NH2+][C@@H](C)CCN1 82961014 573341104 /nfs/dbraw/zinc/34/11/04/573341104.db2.gz VYFYAODRXJOWLA-VHSXEESVSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)[NH2+]CCCNc1ccncc1 132822512 573343114 /nfs/dbraw/zinc/34/31/14/573343114.db2.gz VHIFIFJFFDUQRH-UHFFFAOYSA-N 1 3 193.294 1.882 10 0 ADAEHO COCC(C)(C)N(C)CC[C@@H](C)[NH3+] 308350574 573343176 /nfs/dbraw/zinc/34/31/76/573343176.db2.gz YCCFZQNNNWIBKR-SECBINFHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@@H]1C[C@@H]([C@@H]2CCCN2C)C[NH2+]1 258290245 573343968 /nfs/dbraw/zinc/34/39/68/573343968.db2.gz TXEZCYQNAHXOJN-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](NC)c1ccccc1 259092023 573343979 /nfs/dbraw/zinc/34/39/79/573343979.db2.gz DLVNYNQLTRYCAT-JQWIXIFHSA-N 1 3 192.306 1.932 10 0 ADAEHO CC(C)N1CC[C@@H]([C@]2(C)CCC[NH2+]2)C1 258306108 573344016 /nfs/dbraw/zinc/34/40/16/573344016.db2.gz VCDSSRSLUNGXSM-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([C@H]2CCCN2C)C[NH2+]1 258290252 573344187 /nfs/dbraw/zinc/34/41/87/573344187.db2.gz TXEZCYQNAHXOJN-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO CN(CCC1CC1)CC[C@@H]1CCC[NH2+]1 308556323 573344432 /nfs/dbraw/zinc/34/44/32/573344432.db2.gz ZNVZQQOIPZXRRP-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CN(C)Cc1cccc2c1C[NH2+]CC2 258309208 573345053 /nfs/dbraw/zinc/34/50/53/573345053.db2.gz WYRAFKVYUTULLM-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO Cc1cc([C@H](N)[C@@H](C)C[NH3+])ccc1F 259092207 573345120 /nfs/dbraw/zinc/34/51/20/573345120.db2.gz ALCSCZNITGAKDO-GZMMTYOYSA-N 1 3 196.269 1.729 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])NC1CC1 50271227 573345129 /nfs/dbraw/zinc/34/51/29/573345129.db2.gz GZTZMNNFWFKNFW-VIFPVBQESA-N 1 3 156.273 1.112 10 0 ADAEHO CCCCC[C@H](C[NH3+])NC1CC1 50271103 573345229 /nfs/dbraw/zinc/34/52/29/573345229.db2.gz POZSPCUSVAQVRZ-SNVBAGLBSA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCCC1 86272449 573345252 /nfs/dbraw/zinc/34/52/52/573345252.db2.gz SIVGTFIWFOZXFB-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO Cc1cc([C@@H](N)[C@H](C)C[NH3+])ccc1F 259092211 573345411 /nfs/dbraw/zinc/34/54/11/573345411.db2.gz ALCSCZNITGAKDO-KCJUWKMLSA-N 1 3 196.269 1.729 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCCCC1 86272521 573345442 /nfs/dbraw/zinc/34/54/42/573345442.db2.gz RQSVJKCROAEWLM-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1CCN(C[C@@H]2CC[NH2+][C@@H]2C)CC1 86272442 573345487 /nfs/dbraw/zinc/34/54/87/573345487.db2.gz JXZHGKMTLCNPKF-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)C1CCCC1 86272568 573346661 /nfs/dbraw/zinc/34/66/61/573346661.db2.gz XTOYXUCNYRHXHL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[C@H](N)CC[NH2+]C1CC1 129599491 573346851 /nfs/dbraw/zinc/34/68/51/573346851.db2.gz GOVDLUVNXXFBLD-SECBINFHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](NC)c1ccccc1 259092025 573346437 /nfs/dbraw/zinc/34/64/37/573346437.db2.gz DLVNYNQLTRYCAT-PWSUYJOCSA-N 1 3 192.306 1.932 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)C1CCCC1 86272570 573346438 /nfs/dbraw/zinc/34/64/38/573346438.db2.gz XTOYXUCNYRHXHL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[C@H](N)CC[NH2+]CC1CC1 129601661 573346464 /nfs/dbraw/zinc/34/64/64/573346464.db2.gz SIKZDZYFRVXFPE-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)C1CC1 86272559 573346624 /nfs/dbraw/zinc/34/66/24/573346624.db2.gz HSFODVDSFZSKAO-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)N(C)C[C@@H]1CC[NH2+][C@@H]1C 86272499 573346650 /nfs/dbraw/zinc/34/66/50/573346650.db2.gz VZTXTRATDUVNKQ-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CCCC[C@@H](C[NH3+])NC1CC1 50271364 573346696 /nfs/dbraw/zinc/34/66/96/573346696.db2.gz PIPNCKOYNWHBIR-VIFPVBQESA-N 1 3 156.273 1.256 10 0 ADAEHO CC(C)N(C)C[C@H]1CC[NH2+][C@H]1C 86272502 573346874 /nfs/dbraw/zinc/34/68/74/573346874.db2.gz VZTXTRATDUVNKQ-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCCCC1 86272519 573346767 /nfs/dbraw/zinc/34/67/67/573346767.db2.gz RQSVJKCROAEWLM-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)(C)[C@H]([NH3+])CCNC1CC1 129599491 573346855 /nfs/dbraw/zinc/34/68/55/573346855.db2.gz GOVDLUVNXXFBLD-SECBINFHSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)C1CCCC1 86272567 573349083 /nfs/dbraw/zinc/34/90/83/573349083.db2.gz XTOYXUCNYRHXHL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@H]([C@@H]1CCC[NH2+]C1)C(C)(C)C 259609979 573349925 /nfs/dbraw/zinc/34/99/25/573349925.db2.gz QWDWGTJKQVBIDH-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[NH2+]CC[C@@H](N)C(C)(C)C 129600134 573348724 /nfs/dbraw/zinc/34/87/24/573348724.db2.gz VIGMLFOSKYJGDF-SNVBAGLBSA-N 1 3 186.343 1.996 10 0 ADAEHO CC(C)[NH2+]CC[C@@H](N)C(C)(C)C 129597969 573348911 /nfs/dbraw/zinc/34/89/11/573348911.db2.gz ZCOXPYIKOUELGK-SECBINFHSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CNC(C)(C)C 86272714 573348929 /nfs/dbraw/zinc/34/89/29/573348929.db2.gz KBIDHTRYLBJUQE-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)C1CC1 86272560 573348944 /nfs/dbraw/zinc/34/89/44/573348944.db2.gz HSFODVDSFZSKAO-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN[C@@H]1CC1(C)C 86273010 573349051 /nfs/dbraw/zinc/34/90/51/573349051.db2.gz YYFSNTUGQBEBBQ-IVZWLZJFSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CCN(C[C@@H]2CC[NH2+][C@H]2C)CC1 86272444 573349135 /nfs/dbraw/zinc/34/91/35/573349135.db2.gz JXZHGKMTLCNPKF-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)(C)[C@@H](N)CC[NH2+]C1CC1 129599714 573349147 /nfs/dbraw/zinc/34/91/47/573349147.db2.gz GOVDLUVNXXFBLD-VIFPVBQESA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)[C@@H]([NH3+])CCNC1CC1 129599714 573349152 /nfs/dbraw/zinc/34/91/52/573349152.db2.gz GOVDLUVNXXFBLD-VIFPVBQESA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)C1CC1 86272561 573349190 /nfs/dbraw/zinc/34/91/90/573349190.db2.gz HSFODVDSFZSKAO-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CNC1CCC1 86273059 573349237 /nfs/dbraw/zinc/34/92/37/573349237.db2.gz PHVGAMZOYADROU-RKDXNWHRSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[NH2+]CC[C@@H](N)C(C)(C)C 129601459 573349454 /nfs/dbraw/zinc/34/94/54/573349454.db2.gz BTWAERPFVOZTAP-MRVPVSSYSA-N 1 3 158.289 1.359 10 0 ADAEHO C[NH+](C)[C@@H]([C@@H]1CCCNC1)C(C)(C)C 259609983 573349580 /nfs/dbraw/zinc/34/95/80/573349580.db2.gz QWDWGTJKQVBIDH-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CN(C)[C@@H]([C@@H]1CCC[NH2+]C1)C(C)(C)C 259609983 573349584 /nfs/dbraw/zinc/34/95/84/573349584.db2.gz QWDWGTJKQVBIDH-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO Cc1ccc(C)c([C@@H](N)[C@@H](C)C[NH3+])c1 259425473 573349786 /nfs/dbraw/zinc/34/97/86/573349786.db2.gz PFBSCKMZJKEDNH-JQWIXIFHSA-N 1 3 192.306 1.898 10 0 ADAEHO C[NH+](C)[C@H]([C@@H]1CCCNC1)C(C)(C)C 259609979 573349917 /nfs/dbraw/zinc/34/99/17/573349917.db2.gz QWDWGTJKQVBIDH-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)C1CC1 86272562 573349943 /nfs/dbraw/zinc/34/99/43/573349943.db2.gz HSFODVDSFZSKAO-DTWKUNHWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN(C[C@@H]2CC[NH2+][C@@H]2C)C1 86272779 573349968 /nfs/dbraw/zinc/34/99/68/573349968.db2.gz ZHTQLWPGHBJLIO-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C[NH2+]CCC(F)F)=C1CNC1 308358608 573350050 /nfs/dbraw/zinc/35/00/50/573350050.db2.gz CHGSGRJYYOXMQB-UHFFFAOYSA-N 1 3 190.237 1.151 10 0 ADAEHO Cc1ccc(C)c([C@@H](N)[C@H](C)C[NH3+])c1 259425475 573350194 /nfs/dbraw/zinc/35/01/94/573350194.db2.gz PFBSCKMZJKEDNH-PWSUYJOCSA-N 1 3 192.306 1.898 10 0 ADAEHO [NH3+]CCc1ccccc1CN1CCC1 308558900 573350219 /nfs/dbraw/zinc/35/02/19/573350219.db2.gz WANSDANHGIGWDP-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO C[C@]1([NH3+])CCN2CCCC[C@H]2C1 258635265 573350235 /nfs/dbraw/zinc/35/02/35/573350235.db2.gz YFTAKYKZOOFODC-UWVGGRQHSA-N 1 3 168.284 1.352 10 0 ADAEHO CC1CCN(C[C@H]2CC[NH2+][C@@H]2C)CC1 86272443 573350241 /nfs/dbraw/zinc/35/02/41/573350241.db2.gz JXZHGKMTLCNPKF-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)N(C)C[C@@H]1CC[NH2+][C@H]1C 86272500 573350260 /nfs/dbraw/zinc/35/02/60/573350260.db2.gz VZTXTRATDUVNKQ-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238365913 573350261 /nfs/dbraw/zinc/35/02/61/573350261.db2.gz PTCGYHQIMQCUOG-PDEGPIFNSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238365913 573350269 /nfs/dbraw/zinc/35/02/69/573350269.db2.gz PTCGYHQIMQCUOG-PDEGPIFNSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@@]1([NH3+])CCN2CCCC[C@@H]2C1 258635254 573350985 /nfs/dbraw/zinc/35/09/85/573350985.db2.gz YFTAKYKZOOFODC-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238365933 573351023 /nfs/dbraw/zinc/35/10/23/573351023.db2.gz PTCGYHQIMQCUOG-IXLVHKGHSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238365933 573351028 /nfs/dbraw/zinc/35/10/28/573351028.db2.gz PTCGYHQIMQCUOG-IXLVHKGHSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@@]1([NH3+])CCN2CCCC[C@H]2C1 258635274 573351307 /nfs/dbraw/zinc/35/13/07/573351307.db2.gz YFTAKYKZOOFODC-VHSXEESVSA-N 1 3 168.284 1.352 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 86303223 573351594 /nfs/dbraw/zinc/35/15/94/573351594.db2.gz JCNINDIQVQFLHF-MXWKQRLJSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 86303223 573351599 /nfs/dbraw/zinc/35/15/99/573351599.db2.gz JCNINDIQVQFLHF-MXWKQRLJSA-N 1 3 184.327 1.700 10 0 ADAEHO FC(F)CCNCC[C@@H]1CCC[NH2+]1 308362273 573353144 /nfs/dbraw/zinc/35/31/44/573353144.db2.gz FCAYJKXLFYBTNZ-QMMMGPOBSA-N 1 3 192.253 1.373 10 0 ADAEHO C[C@H](CC(F)F)[NH2+]CC1(CN)CC1 308361465 573354246 /nfs/dbraw/zinc/35/42/46/573354246.db2.gz DPXFOTNYJIHONV-SSDOTTSWSA-N 1 3 192.253 1.359 10 0 ADAEHO C[C@H](CC(F)F)NCC1(C[NH3+])CC1 308361465 573354250 /nfs/dbraw/zinc/35/42/50/573354250.db2.gz DPXFOTNYJIHONV-SSDOTTSWSA-N 1 3 192.253 1.359 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86302944 573354271 /nfs/dbraw/zinc/35/42/71/573354271.db2.gz GQUINWVHTBVPRL-AEJSXWLSSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86302944 573354274 /nfs/dbraw/zinc/35/42/74/573354274.db2.gz GQUINWVHTBVPRL-AEJSXWLSSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 86302944 573354281 /nfs/dbraw/zinc/35/42/81/573354281.db2.gz GQUINWVHTBVPRL-AEJSXWLSSA-N 1 3 170.300 1.452 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC)[C@H](C)[C@@H]1C 86303161 573354343 /nfs/dbraw/zinc/35/43/43/573354343.db2.gz YWTWRHLORXVBJJ-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]CCCOC2CC2)C1 717374175 573354488 /nfs/dbraw/zinc/35/44/88/573354488.db2.gz ZJYUQVBZLZIQHT-ZJUUUORDSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1C(C)(C)C 86302871 573354735 /nfs/dbraw/zinc/35/47/35/573354735.db2.gz GFQQCCUBTRKKRL-GUBZILKMSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1C(C)(C)C 86302871 573354739 /nfs/dbraw/zinc/35/47/39/573354739.db2.gz GFQQCCUBTRKKRL-GUBZILKMSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@H]1CCCNC1 231558101 573354773 /nfs/dbraw/zinc/35/47/73/573354773.db2.gz RRJSZAUARFQPAJ-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CN)C1 129467002 573354995 /nfs/dbraw/zinc/35/49/95/573354995.db2.gz NWZXEPNDOLAMLI-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH+](C)C)C(C)(C)C 259426173 573355025 /nfs/dbraw/zinc/35/50/25/573355025.db2.gz IGJYOEHRLMVPIJ-VHSXEESVSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](N(C)C)C(C)(C)C 259426173 573355033 /nfs/dbraw/zinc/35/50/33/573355033.db2.gz IGJYOEHRLMVPIJ-VHSXEESVSA-N 1 3 186.343 1.948 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]CCCOC2CC2)C1 717374166 573355068 /nfs/dbraw/zinc/35/50/68/573355068.db2.gz ZJYUQVBZLZIQHT-NXEZZACHSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](CC2CC2)[C@@H]1C 86302853 573355158 /nfs/dbraw/zinc/35/51/58/573355158.db2.gz LHQYQELUHPKMEX-NGZCFLSTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](CC2CC2)[C@@H]1C 86302853 573355164 /nfs/dbraw/zinc/35/51/64/573355164.db2.gz LHQYQELUHPKMEX-NGZCFLSTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN(CC2CC2)[C@@H]1C 86302853 573355170 /nfs/dbraw/zinc/35/51/70/573355170.db2.gz LHQYQELUHPKMEX-NGZCFLSTSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303281 573355626 /nfs/dbraw/zinc/35/56/26/573355626.db2.gz TXBVJMQYSIGRPT-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303281 573355630 /nfs/dbraw/zinc/35/56/30/573355630.db2.gz TXBVJMQYSIGRPT-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303281 573355633 /nfs/dbraw/zinc/35/56/33/573355633.db2.gz TXBVJMQYSIGRPT-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH+](C)C)C(C)(C)C 259426169 573355646 /nfs/dbraw/zinc/35/56/46/573355646.db2.gz IGJYOEHRLMVPIJ-NXEZZACHSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](N(C)C)C(C)(C)C 259426169 573355653 /nfs/dbraw/zinc/35/56/53/573355653.db2.gz IGJYOEHRLMVPIJ-NXEZZACHSA-N 1 3 186.343 1.948 10 0 ADAEHO CCN1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86303166 573355880 /nfs/dbraw/zinc/35/58/80/573355880.db2.gz FGBRNGCZUSGASI-UTLUCORTSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](C2CCCC2)[C@@H]1C 86303253 573355902 /nfs/dbraw/zinc/35/59/02/573355902.db2.gz WMERDADMYZMIBO-UMNHJUIQSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](C2CCCC2)[C@@H]1C 86303253 573355907 /nfs/dbraw/zinc/35/59/07/573355907.db2.gz WMERDADMYZMIBO-UMNHJUIQSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303219 573355921 /nfs/dbraw/zinc/35/59/21/573355921.db2.gz JCNINDIQVQFLHF-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303219 573355929 /nfs/dbraw/zinc/35/59/29/573355929.db2.gz JCNINDIQVQFLHF-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H]1[C@@H](N)CC[N@@H+]([C@H]2C[C@H]2C)[C@H]1C 86304687 573359175 /nfs/dbraw/zinc/35/91/75/573359175.db2.gz LMKVHSGKDDEVTR-UVOCVTCTSA-N 1 3 182.311 1.452 10 0 ADAEHO CN[C@H](c1ccc(C)o1)C1CC([NH3+])C1 259609386 573358001 /nfs/dbraw/zinc/35/80/01/573358001.db2.gz YKSSCSHQIOORIP-AMUVOQDHSA-N 1 3 194.278 1.586 10 0 ADAEHO CC[C@H](CN)[C@H]([NH+](C)C)C(C)(C)C 259426176 573358062 /nfs/dbraw/zinc/35/80/62/573358062.db2.gz IGJYOEHRLMVPIJ-ZJUUUORDSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](N(C)C)C(C)(C)C 259426176 573358066 /nfs/dbraw/zinc/35/80/66/573358066.db2.gz IGJYOEHRLMVPIJ-ZJUUUORDSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H]([C@H](C)C[NH3+])N(C)C1CC1 86311495 573358148 /nfs/dbraw/zinc/35/81/48/573358148.db2.gz IURTYLNQNBHZBG-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[NH2+][C@](C)(C2CCN(C)CC2)O1 258301192 573358134 /nfs/dbraw/zinc/35/81/34/573358134.db2.gz CMFVEIDFIKQXSU-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)C1CC1 86311495 573358135 /nfs/dbraw/zinc/35/81/35/573358135.db2.gz IURTYLNQNBHZBG-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)C1CC1 86311495 573358143 /nfs/dbraw/zinc/35/81/43/573358143.db2.gz IURTYLNQNBHZBG-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1CC[NH+]([C@H](C)[C@H](C)CN)CC1 86311021 573358354 /nfs/dbraw/zinc/35/83/54/573358354.db2.gz BHGIBLMIAPWJQU-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)[C@@H](C)CN)C1 86311289 573358463 /nfs/dbraw/zinc/35/84/63/573358463.db2.gz ZFBOGNKXJODATM-USZNOCQGSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@@H](C)CN)C1 86311289 573358468 /nfs/dbraw/zinc/35/84/68/573358468.db2.gz ZFBOGNKXJODATM-USZNOCQGSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](CCC2CC2)[C@@H]1C 86305523 573358577 /nfs/dbraw/zinc/35/85/77/573358577.db2.gz HMJYNPCLYXDJIT-UMNHJUIQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](CCC2CC2)[C@@H]1C 86305523 573358583 /nfs/dbraw/zinc/35/85/83/573358583.db2.gz HMJYNPCLYXDJIT-UMNHJUIQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN(CCC2CC2)[C@@H]1C 86305523 573358590 /nfs/dbraw/zinc/35/85/90/573358590.db2.gz HMJYNPCLYXDJIT-UMNHJUIQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[NH2+][C@](C)(C2CCN(C)CC2)O1 258301201 573358620 /nfs/dbraw/zinc/35/86/20/573358620.db2.gz CMFVEIDFIKQXSU-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO N[C@H]1CC[NH2+][C@H](C2CCCC2)C1 107121793 573359929 /nfs/dbraw/zinc/35/99/29/573359929.db2.gz GULYJNSWHVUTOJ-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@H]1CCN[C@H](C2CCCC2)C1 107121793 573359932 /nfs/dbraw/zinc/35/99/32/573359932.db2.gz GULYJNSWHVUTOJ-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)(CCN)[N@H+]1C[C@H]2C[C@H]2C1 107121733 573360035 /nfs/dbraw/zinc/36/00/35/573360035.db2.gz FDXIERODBVMCGA-DTORHVGOSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)(CCN)[N@@H+]1C[C@H]2C[C@H]2C1 107121733 573360041 /nfs/dbraw/zinc/36/00/41/573360041.db2.gz FDXIERODBVMCGA-DTORHVGOSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)C1CC1 86311493 573360050 /nfs/dbraw/zinc/36/00/50/573360050.db2.gz IURTYLNQNBHZBG-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)C1CC1 86311493 573360055 /nfs/dbraw/zinc/36/00/55/573360055.db2.gz IURTYLNQNBHZBG-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](C)N(C)C1CC1 86311493 573360057 /nfs/dbraw/zinc/36/00/57/573360057.db2.gz IURTYLNQNBHZBG-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO CN[C@@H](c1ccc(C)o1)C1CC([NH3+])C1 259609388 573360096 /nfs/dbraw/zinc/36/00/96/573360096.db2.gz YKSSCSHQIOORIP-NWGYLPEXSA-N 1 3 194.278 1.586 10 0 ADAEHO C[C@H](CN)[C@@H](C)[NH+]1CCCC1 86311043 573360219 /nfs/dbraw/zinc/36/02/19/573360219.db2.gz SXTBWKRYTBJMGA-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](C)N1CCSCC1 86311412 573360321 /nfs/dbraw/zinc/36/03/21/573360321.db2.gz JYEOGJZLWFCWMW-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CCCC1(C)C 86312520 573360416 /nfs/dbraw/zinc/36/04/16/573360416.db2.gz QGVSSLUVEFGWIY-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+]1CCCC1(C)C 86312520 573360422 /nfs/dbraw/zinc/36/04/22/573360422.db2.gz QGVSSLUVEFGWIY-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO N[C@H]1CC[NH2+][C@@H](C2CCCC2)C1 107121796 573360510 /nfs/dbraw/zinc/36/05/10/573360510.db2.gz GULYJNSWHVUTOJ-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@H]1CCN[C@@H](C2CCCC2)C1 107121796 573360513 /nfs/dbraw/zinc/36/05/13/573360513.db2.gz GULYJNSWHVUTOJ-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO CN(C)C1CC[NH+](C2CCC2)CC1 307131139 573360530 /nfs/dbraw/zinc/36/05/30/573360530.db2.gz GMDOLLXOZKNIPN-UHFFFAOYSA-N 1 3 182.311 1.565 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 86311144 573362920 /nfs/dbraw/zinc/36/29/20/573362920.db2.gz DBZJHSVYGJWIDR-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+]1CCC[C@@H](C)C1 86311144 573362926 /nfs/dbraw/zinc/36/29/26/573362926.db2.gz DBZJHSVYGJWIDR-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1CC[NH+]([C@H](C)[C@@H](C)CN)CC1 86311019 573362292 /nfs/dbraw/zinc/36/22/92/573362292.db2.gz BHGIBLMIAPWJQU-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCCC1(C)C 86312519 573362361 /nfs/dbraw/zinc/36/23/61/573362361.db2.gz QGVSSLUVEFGWIY-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCCC1(C)C 86312519 573362366 /nfs/dbraw/zinc/36/23/66/573362366.db2.gz QGVSSLUVEFGWIY-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CC[C@@H](C)C1 86311942 573362555 /nfs/dbraw/zinc/36/25/55/573362555.db2.gz BTLDKRYNRLKYRB-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+]1CC[C@@H](C)C1 86311942 573362558 /nfs/dbraw/zinc/36/25/58/573362558.db2.gz BTLDKRYNRLKYRB-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@@]2(CCCNC2)C1 211343720 573362633 /nfs/dbraw/zinc/36/26/33/573362633.db2.gz HJPRZSLRPVUVRL-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)C[N@H+]1CC[C@@]2(CCCNC2)C1 211343720 573362638 /nfs/dbraw/zinc/36/26/38/573362638.db2.gz HJPRZSLRPVUVRL-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](C2CCC2)[C@@H]1C 86304659 573362697 /nfs/dbraw/zinc/36/26/97/573362697.db2.gz ULDZYGRMCXTYAJ-NGZCFLSTSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](C2CCC2)[C@@H]1C 86304659 573362702 /nfs/dbraw/zinc/36/27/02/573362702.db2.gz ULDZYGRMCXTYAJ-NGZCFLSTSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN(C2CCC2)[C@@H]1C 86304659 573362708 /nfs/dbraw/zinc/36/27/08/573362708.db2.gz ULDZYGRMCXTYAJ-NGZCFLSTSA-N 1 3 182.311 1.597 10 0 ADAEHO NCC[C@@]1(c2ccccc2)CCC[NH2+]1 258313385 573362842 /nfs/dbraw/zinc/36/28/42/573362842.db2.gz TZDDUXJAPXAOFL-GFCCVEGCSA-N 1 3 190.290 1.614 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+]1CCCC1(C)C 86312521 573362899 /nfs/dbraw/zinc/36/28/99/573362899.db2.gz QGVSSLUVEFGWIY-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+]1CCCC1(C)C 86312521 573362902 /nfs/dbraw/zinc/36/29/02/573362902.db2.gz QGVSSLUVEFGWIY-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)C[C@H](CN2CCCCC2)C[NH2+]1 258314373 573363873 /nfs/dbraw/zinc/36/38/73/573363873.db2.gz VQRUKFUJYYWDFZ-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)(C)[C@@H](N)CC[NH2+]C1CCC1 129614015 573365347 /nfs/dbraw/zinc/36/53/47/573365347.db2.gz PIUANQSEIUNLBH-JTQLQIEISA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](C[NH2+][C@H](C)C1(C)CC1)CN(C)C 308563934 573364988 /nfs/dbraw/zinc/36/49/88/573364988.db2.gz GWQUKSZZIBKIHA-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CN1CC[C@@H](C(=O)CCC(C)(C)[NH3+])C1 259089979 573365362 /nfs/dbraw/zinc/36/53/62/573365362.db2.gz GEXQHZLUBQQEDJ-SECBINFHSA-N 1 3 198.310 1.025 10 0 ADAEHO NC[C@H](C[NH2+]C1CC1)c1ccco1 258313199 573365193 /nfs/dbraw/zinc/36/51/93/573365193.db2.gz XFGHSAPFMYIECO-MRVPVSSYSA-N 1 3 180.251 1.074 10 0 ADAEHO [NH3+]C[C@H](CNC1CC1)c1ccco1 258313199 573365196 /nfs/dbraw/zinc/36/51/96/573365196.db2.gz XFGHSAPFMYIECO-MRVPVSSYSA-N 1 3 180.251 1.074 10 0 ADAEHO N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 107134770 573367682 /nfs/dbraw/zinc/36/76/82/573367682.db2.gz BZZJOBSXKJQQTF-VXGBXAGGSA-N 1 3 190.290 1.308 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]CC[C@H](N)C(C)(C)C 129614239 573366855 /nfs/dbraw/zinc/36/68/55/573366855.db2.gz LOKJHUHCIDOYMV-UTLUCORTSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H](C[N@@H+]1CC[C@H](CN)C1)C1CC1 133114432 573367064 /nfs/dbraw/zinc/36/70/64/573367064.db2.gz NNXKGTQBZUKTOS-VHSXEESVSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H](C[N@H+]1CC[C@H](CN)C1)C1CC1 133114432 573367071 /nfs/dbraw/zinc/36/70/71/573367071.db2.gz NNXKGTQBZUKTOS-VHSXEESVSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H](CN(C)C)CN1CCCCC1=[NH2+] 308564755 573367189 /nfs/dbraw/zinc/36/71/89/573367189.db2.gz HCIYZZPNHCCXNQ-JTQLQIEISA-N 1 3 197.326 1.647 10 0 ADAEHO CNC[C@H]1CC[N@H+](C[C@H](C)C2CC2)C1 133114936 573367250 /nfs/dbraw/zinc/36/72/50/573367250.db2.gz FBKGHOSEIHBIMD-WDEREUQCSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C[C@H](C)C2CC2)C1 133114936 573367254 /nfs/dbraw/zinc/36/72/54/573367254.db2.gz FBKGHOSEIHBIMD-WDEREUQCSA-N 1 3 196.338 1.574 10 0 ADAEHO CN(C)[C@@H](C1CCC1)[C@H]1CC[NH2+]C1 259428510 573367275 /nfs/dbraw/zinc/36/72/75/573367275.db2.gz IHYRWOSIQXTRAZ-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H](CN(C)C)CN1CCCCC1=[NH2+] 308564756 573367412 /nfs/dbraw/zinc/36/74/12/573367412.db2.gz HCIYZZPNHCCXNQ-SNVBAGLBSA-N 1 3 197.326 1.647 10 0 ADAEHO CC(C)(C)[C@H](N)CC[NH2+]C1CCC1 129613790 573367419 /nfs/dbraw/zinc/36/74/19/573367419.db2.gz PIUANQSEIUNLBH-SNVBAGLBSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]CC[C@H](N)C(C)(C)C 129614694 573367820 /nfs/dbraw/zinc/36/78/20/573367820.db2.gz LOKJHUHCIDOYMV-BBBLOLIVSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)[C@@H]1C 83041680 573369057 /nfs/dbraw/zinc/36/90/57/573369057.db2.gz BLDOUKVNTILXTC-FOGDFJRCSA-N 1 3 196.338 1.763 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126135463 573369090 /nfs/dbraw/zinc/36/90/90/573369090.db2.gz MZFBWFZJIZOGND-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H](C)CC[N@H+]1C[C@H]2CCC[C@H]2C1 126135463 573369086 /nfs/dbraw/zinc/36/90/86/573369086.db2.gz MZFBWFZJIZOGND-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CN1C[C@@H](C2CCC2)C[C@H]1C[NH3+] 258639824 573371574 /nfs/dbraw/zinc/37/15/74/573371574.db2.gz YQZGWECMNMVUPI-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CN[C@H]1CC[N@H+](C[C@H](C)C2CC2)C1 133091369 573372980 /nfs/dbraw/zinc/37/29/80/573372980.db2.gz HNOZOOQDIWXRBE-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]CCC(F)F 308374923 573375817 /nfs/dbraw/zinc/37/58/17/573375817.db2.gz MUNYZNZAVARHJV-SECBINFHSA-N 1 3 194.269 1.606 10 0 ADAEHO N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 107134778 573372008 /nfs/dbraw/zinc/37/20/08/573372008.db2.gz BZZJOBSXKJQQTF-RYUDHWBXSA-N 1 3 190.290 1.308 10 0 ADAEHO CNC[C@H]1CC[N@H+](C[C@@H](C)C2CC2)C1 133115067 573372016 /nfs/dbraw/zinc/37/20/16/573372016.db2.gz FBKGHOSEIHBIMD-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C[C@@H](C)C2CC2)C1 133115067 573372023 /nfs/dbraw/zinc/37/20/23/573372023.db2.gz FBKGHOSEIHBIMD-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1CN(c2ccncc2)CCC[NH2+]1 258323020 573372386 /nfs/dbraw/zinc/37/23/86/573372386.db2.gz XSNQQCOHVCJTNM-SNVBAGLBSA-N 1 3 191.278 1.270 10 0 ADAEHO CCC[C@](C)(N)C[NH2+]CCC(F)F 308374251 573372439 /nfs/dbraw/zinc/37/24/39/573372439.db2.gz MIILSSXGPWUCCE-VIFPVBQESA-N 1 3 194.269 1.749 10 0 ADAEHO CNC[C@@H](C[NH3+])c1ccc(Cl)o1 258324195 573372460 /nfs/dbraw/zinc/37/24/60/573372460.db2.gz YDCRGXZSAXJXPX-ZCFIWIBFSA-N 1 3 188.658 1.195 10 0 ADAEHO CCC[C@@](C)(N)C[NH2+]CCC(F)F 308374249 573372643 /nfs/dbraw/zinc/37/26/43/573372643.db2.gz MIILSSXGPWUCCE-SECBINFHSA-N 1 3 194.269 1.749 10 0 ADAEHO CN[C@H]1CC[N@@H+](C[C@H](C)C2CC2)C1 133091369 573372988 /nfs/dbraw/zinc/37/29/88/573372988.db2.gz HNOZOOQDIWXRBE-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CN(c2ccncc2)CCC[NH2+]1 258323017 573373027 /nfs/dbraw/zinc/37/30/27/573373027.db2.gz XSNQQCOHVCJTNM-JTQLQIEISA-N 1 3 191.278 1.270 10 0 ADAEHO CCN[C@@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126141759 573373923 /nfs/dbraw/zinc/37/39/23/573373923.db2.gz YBSIYYWQQKHXCD-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@]1(C[C@@H]2CCC[NH2+]2)CCCCN1 258329354 573373608 /nfs/dbraw/zinc/37/36/08/573373608.db2.gz WWDQPGAYFPCKQM-WDEREUQCSA-N 1 3 182.311 1.661 10 0 ADAEHO CCN[C@@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 126141759 573373916 /nfs/dbraw/zinc/37/39/16/573373916.db2.gz YBSIYYWQQKHXCD-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](N)C[C@@H](C1CCC1)[NH+](C)C 259430897 573375346 /nfs/dbraw/zinc/37/53/46/573375346.db2.gz IJZSCGPAEXEORL-WPRPVWTQSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C1CCC1)N(C)C 259430897 573375349 /nfs/dbraw/zinc/37/53/49/573375349.db2.gz IJZSCGPAEXEORL-WPRPVWTQSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@]1(C[C@H]2CCC[NH2+]2)CCCCN1 258329348 573375448 /nfs/dbraw/zinc/37/54/48/573375448.db2.gz WWDQPGAYFPCKQM-MNOVXSKESA-N 1 3 182.311 1.661 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)CC1(C)C 259430746 573375608 /nfs/dbraw/zinc/37/56/08/573375608.db2.gz NZTGOKGLECXJEF-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+]1CC[C@H](NC)CC1(C)C 259430746 573375614 /nfs/dbraw/zinc/37/56/14/573375614.db2.gz NZTGOKGLECXJEF-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+]1CC[C@H](NC)CC1(C)C 259430746 573375621 /nfs/dbraw/zinc/37/56/21/573375621.db2.gz NZTGOKGLECXJEF-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@](C)(C[NH3+])CNCCC(F)F 308374923 573375822 /nfs/dbraw/zinc/37/58/22/573375822.db2.gz MUNYZNZAVARHJV-SECBINFHSA-N 1 3 194.269 1.606 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]C[C@H](C)C1CC1 133164329 573375870 /nfs/dbraw/zinc/37/58/70/573375870.db2.gz NTXHILWVXPSWJG-JQWIXIFHSA-N 1 3 198.354 1.997 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]CCC(F)F 308374928 573375983 /nfs/dbraw/zinc/37/59/83/573375983.db2.gz MUNYZNZAVARHJV-VIFPVBQESA-N 1 3 194.269 1.606 10 0 ADAEHO CC[C@@](C)(C[NH3+])CNCCC(F)F 308374928 573375991 /nfs/dbraw/zinc/37/59/91/573375991.db2.gz MUNYZNZAVARHJV-VIFPVBQESA-N 1 3 194.269 1.606 10 0 ADAEHO C1CC[C@H](CCN2C[C@H]3C[C@H]3C2)[NH2+]C1 107137873 573376116 /nfs/dbraw/zinc/37/61/16/573376116.db2.gz GTWPURZNEFLFDE-GRYCIOLGSA-N 1 3 194.322 1.470 10 0 ADAEHO CCN[C@H](C)C[NH+]1C[C@H]2CCC[C@@H]2C1 126142473 573376221 /nfs/dbraw/zinc/37/62/21/573376221.db2.gz YBSIYYWQQKHXCD-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(CNC(C)C)C[NH2+]C(C)C 78066581 573376503 /nfs/dbraw/zinc/37/65/03/573376503.db2.gz AUKRDPMSUOIVJT-UHFFFAOYSA-N 1 3 172.316 1.619 10 0 ADAEHO C[NH2+][C@H](C)CCC1=CCN(C)CC1 258017378 573376674 /nfs/dbraw/zinc/37/66/74/573376674.db2.gz JHRXNJQLSPPXCB-SNVBAGLBSA-N 1 3 182.311 1.636 10 0 ADAEHO C[C@H](C[NH2+]CC[C@@H](C)N)C1CC1 133152469 573376949 /nfs/dbraw/zinc/37/69/49/573376949.db2.gz GKUBYTWVHSLJLC-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO CCN[C@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 126142019 573377058 /nfs/dbraw/zinc/37/70/58/573377058.db2.gz YBSIYYWQQKHXCD-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN[C@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126142019 573377065 /nfs/dbraw/zinc/37/70/65/573377065.db2.gz YBSIYYWQQKHXCD-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@@H](C)CCC1=CCN(C)CC1 258017376 573377868 /nfs/dbraw/zinc/37/78/68/573377868.db2.gz JHRXNJQLSPPXCB-JTQLQIEISA-N 1 3 182.311 1.636 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]C[C@@H](C)C1CC1 133164108 573377164 /nfs/dbraw/zinc/37/71/64/573377164.db2.gz NTXHILWVXPSWJG-ZYHUDNBSSA-N 1 3 198.354 1.997 10 0 ADAEHO C[C@H](C[NH2+]CC1CCCC1)CN(C)C 308565889 573377175 /nfs/dbraw/zinc/37/71/75/573377175.db2.gz HSVIEIYDJSMEQU-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@H](C)C1CC1 133152813 573377318 /nfs/dbraw/zinc/37/73/18/573377318.db2.gz GKUBYTWVHSLJLC-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC(C)=C1CNC1 129662909 573377370 /nfs/dbraw/zinc/37/73/70/573377370.db2.gz ABRPSZGZZFJBLU-SECBINFHSA-N 1 3 182.311 1.542 10 0 ADAEHO Cc1ccc(CNCCC2C[NH2+]C2)o1 129659972 573377385 /nfs/dbraw/zinc/37/73/85/573377385.db2.gz WOYGGRQRFLMUAL-UHFFFAOYSA-N 1 3 194.278 1.287 10 0 ADAEHO C[C@@]1(C[C@@H]2CCC[NH2+]2)CCCCN1 258329350 573377631 /nfs/dbraw/zinc/37/76/31/573377631.db2.gz WWDQPGAYFPCKQM-QWRGUYRKSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@H](N)C[C@H](C1CCC1)[NH+](C)C 259430894 573377686 /nfs/dbraw/zinc/37/76/86/573377686.db2.gz IJZSCGPAEXEORL-WCBMZHEXSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C1CCC1)N(C)C 259430894 573377694 /nfs/dbraw/zinc/37/76/94/573377694.db2.gz IJZSCGPAEXEORL-WCBMZHEXSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)CC[NH2+]C[C@@H](C)C1CC1 133152265 573377903 /nfs/dbraw/zinc/37/79/03/573377903.db2.gz GKUBYTWVHSLJLC-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@@H](N)C[C@H](C1CCC1)[NH+](C)C 259430888 573378085 /nfs/dbraw/zinc/37/80/85/573378085.db2.gz IJZSCGPAEXEORL-PSASIEDQSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]([NH3+])C[C@H](C1CCC1)N(C)C 259430888 573378088 /nfs/dbraw/zinc/37/80/88/573378088.db2.gz IJZSCGPAEXEORL-PSASIEDQSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)C[NH2+]CC(C)=C1CNC1 129663135 573378356 /nfs/dbraw/zinc/37/83/56/573378356.db2.gz ABRPSZGZZFJBLU-VIFPVBQESA-N 1 3 182.311 1.542 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]C)CC1(C)C 259430749 573378389 /nfs/dbraw/zinc/37/83/89/573378389.db2.gz NZTGOKGLECXJEF-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](NC)CC1(C)C 259430749 573378395 /nfs/dbraw/zinc/37/83/95/573378395.db2.gz NZTGOKGLECXJEF-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+]1CC[C@@H](NC)CC1(C)C 259430749 573378404 /nfs/dbraw/zinc/37/84/04/573378404.db2.gz NZTGOKGLECXJEF-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@]1(C[C@H]2CCC[NH2+]2)CCCCN1 258329343 573378420 /nfs/dbraw/zinc/37/84/20/573378420.db2.gz WWDQPGAYFPCKQM-GHMZBOCLSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)CC2)[C@@H]1C 83044905 573378498 /nfs/dbraw/zinc/37/84/98/573378498.db2.gz AXEDHPAMWPKYSJ-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]CCC(F)F 308371470 573380282 /nfs/dbraw/zinc/38/02/82/573380282.db2.gz LAZGCMUNDICJGX-JGVFFNPUSA-N 1 3 192.253 1.229 10 0 ADAEHO CC[C@](C)([NH3+])CCN(C)C 107157142 573380404 /nfs/dbraw/zinc/38/04/04/573380404.db2.gz SYQUZQZXNKPAGQ-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]C[C@H](C)C1CC1 133218912 573381465 /nfs/dbraw/zinc/38/14/65/573381465.db2.gz LLXQWRIDZYMSCW-CMPLNLGQSA-N 1 3 198.354 1.853 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@@H](CNC)C(C)C 259432869 573382698 /nfs/dbraw/zinc/38/26/98/573382698.db2.gz ZGAIYPFMFVCESM-WDEREUQCSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@H](C[NH2+]C[C@H]1CCCN1)C1CC1 133196993 573382622 /nfs/dbraw/zinc/38/26/22/573382622.db2.gz AIDDUVUAAWBWMS-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C[C@H](C)C1CC1 133176751 573382780 /nfs/dbraw/zinc/38/27/80/573382780.db2.gz OPVMRDBIAATNDQ-ZJUUUORDSA-N 1 3 184.327 1.478 10 0 ADAEHO CC[C@H](N)CC[NH2+]C[C@@H](C)C1CC1 133198446 573382639 /nfs/dbraw/zinc/38/26/39/573382639.db2.gz NPSCAOWHZAHNHU-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO C/C=C\CCN[C@]1(C[NH3+])CCO[C@H]1C 308378414 573382641 /nfs/dbraw/zinc/38/26/41/573382641.db2.gz QERWZMMUBSBGOS-WZQADMAKSA-N 1 3 198.310 1.049 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@H](CNC)C(C)C 259432864 573382665 /nfs/dbraw/zinc/38/26/65/573382665.db2.gz ZGAIYPFMFVCESM-GHMZBOCLSA-N 1 3 186.343 1.866 10 0 ADAEHO CCC[C@H]1[C@H](CN)CC[N@@H+]1C 107158757 573382736 /nfs/dbraw/zinc/38/27/36/573382736.db2.gz FPHGITMNRFPYPS-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H]1[C@H](CN)CC[N@H+]1C 107158757 573382744 /nfs/dbraw/zinc/38/27/44/573382744.db2.gz FPHGITMNRFPYPS-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CNC[C@@]1(C)CCC[NH2+]1)C1CC1 133203878 573385176 /nfs/dbraw/zinc/38/51/76/573385176.db2.gz YSCBUCLKMUFHDI-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](C[NH2+]C[C@@]1(C)CCCN1)C1CC1 133203878 573385179 /nfs/dbraw/zinc/38/51/79/573385179.db2.gz YSCBUCLKMUFHDI-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]C[C@H](C)C1CC1 133218738 573385232 /nfs/dbraw/zinc/38/52/32/573385232.db2.gz LLXQWRIDZYMSCW-JQWIXIFHSA-N 1 3 198.354 1.853 10 0 ADAEHO C[NH2+][C@@H](C(C)C)[C@@H](CN)C(C)C 259432759 573385240 /nfs/dbraw/zinc/38/52/40/573385240.db2.gz ZEQIXAOMKQFEFH-UWVGGRQHSA-N 1 3 172.316 1.461 10 0 ADAEHO C[C@H](C[NH2+]C[C@H]1CCC[C@@H]1N)C1CC1 133188887 573384672 /nfs/dbraw/zinc/38/46/72/573384672.db2.gz LTBAKQCGUHDDST-JLLWLGSASA-N 1 3 196.338 1.750 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C[C@@H](C)C1CC1 133189121 573384961 /nfs/dbraw/zinc/38/49/61/573384961.db2.gz RVTNWLJQJJTIAI-MNOVXSKESA-N 1 3 198.354 1.997 10 0 ADAEHO CCC[C@@H](CN)C[NH2+]C[C@H](C)C1CC1 133189495 573384739 /nfs/dbraw/zinc/38/47/39/573384739.db2.gz RVTNWLJQJJTIAI-QWRGUYRKSA-N 1 3 198.354 1.997 10 0 ADAEHO CC[C@]1(C)[C@@H](CN)CC[N@@H+]1C 107158775 573384780 /nfs/dbraw/zinc/38/47/80/573384780.db2.gz HKJQOFRLWABWTQ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@]1(C)[C@@H](CN)CC[N@H+]1C 107158775 573384787 /nfs/dbraw/zinc/38/47/87/573384787.db2.gz HKJQOFRLWABWTQ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](C[NH2+]CC(C)(C)CN)C1CC1 133194528 573384918 /nfs/dbraw/zinc/38/49/18/573384918.db2.gz ZIASCJPBRVXFNV-SECBINFHSA-N 1 3 184.327 1.607 10 0 ADAEHO CC(C)[C@]1(C)[C@@H]([NH3+])CCN1C 107158788 573385031 /nfs/dbraw/zinc/38/50/31/573385031.db2.gz MDARQSJDMBFJHI-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1N)C1CC1 133188524 573385315 /nfs/dbraw/zinc/38/53/15/573385315.db2.gz LTBAKQCGUHDDST-USWWRNFRSA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@@H](C[NH2+]CCC(C)(C)N)C1CC1 133173641 573386621 /nfs/dbraw/zinc/38/66/21/573386621.db2.gz ZPGDVRMNMRERNZ-VIFPVBQESA-N 1 3 184.327 1.750 10 0 ADAEHO C[NH2+]C(C)(C)CNC[C@@H](C)C1CC1 133202832 573386695 /nfs/dbraw/zinc/38/66/95/573386695.db2.gz WLWZAPHWYNSBIE-SECBINFHSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]C[C@@H](C)C1CC1 133218392 573386958 /nfs/dbraw/zinc/38/69/58/573386958.db2.gz LLXQWRIDZYMSCW-PWSUYJOCSA-N 1 3 198.354 1.853 10 0 ADAEHO [NH3+]CC[C@]1(c2ccccc2)CCN1 258339749 573386959 /nfs/dbraw/zinc/38/69/59/573386959.db2.gz VKADWVMOOOACHM-LLVKDONJSA-N 1 3 176.263 1.224 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C[C@@H](C)C1CC1 133189307 573387046 /nfs/dbraw/zinc/38/70/46/573387046.db2.gz RVTNWLJQJJTIAI-GHMZBOCLSA-N 1 3 198.354 1.997 10 0 ADAEHO C[C@H](C[NH2+]C[C@H](C)CN)C1CC1 133214913 573387335 /nfs/dbraw/zinc/38/73/35/573387335.db2.gz IVRALIGPIKYMOB-RKDXNWHRSA-N 1 3 170.300 1.217 10 0 ADAEHO [NH3+]CC[C@@]1(c2ccccc2)CCN1 258339751 573387341 /nfs/dbraw/zinc/38/73/41/573387341.db2.gz VKADWVMOOOACHM-NSHDSACASA-N 1 3 176.263 1.224 10 0 ADAEHO N[C@H](C1CCCCC1)C1C[NH2+]C1 259435847 573387523 /nfs/dbraw/zinc/38/75/23/573387523.db2.gz PRNDFZNXOPVMQA-SNVBAGLBSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CCC1 308568563 573388216 /nfs/dbraw/zinc/38/82/16/573388216.db2.gz JBDOSCYESMYHHF-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO Nc1ncc(C[NH2+]C2CCCC2)[nH]1 258013567 573388247 /nfs/dbraw/zinc/38/82/47/573388247.db2.gz CVKMEJSUVNNEQX-UHFFFAOYSA-N 1 3 180.255 1.024 10 0 ADAEHO NCCC[NH2+]CC1(C2CC2)CCC1 393663849 573389600 /nfs/dbraw/zinc/38/96/00/573389600.db2.gz CJKILAJCZKULOR-UHFFFAOYSA-N 1 3 182.311 1.505 10 0 ADAEHO C[C@@H](C[NH2+][C@@H](C)C1CCC1)CN(C)C 308568565 573389650 /nfs/dbraw/zinc/38/96/50/573389650.db2.gz JBDOSCYESMYHHF-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](C[NH2+]CC[C@@H](N)C1CC1)C1CC1 133248763 573389802 /nfs/dbraw/zinc/38/98/02/573389802.db2.gz FEGTXKDOMHUECO-BXKDBHETSA-N 1 3 196.338 1.750 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C[C@H](C)C1CC1 133258592 573389883 /nfs/dbraw/zinc/38/98/83/573389883.db2.gz YHSGQBCZEUDOFT-UWVGGRQHSA-N 1 3 184.327 1.607 10 0 ADAEHO NCC1([C@@H]([NH3+])C2CCC2)CCC1 259435196 573390750 /nfs/dbraw/zinc/39/07/50/573390750.db2.gz NILBBIKFKXSVJA-VIFPVBQESA-N 1 3 168.284 1.243 10 0 ADAEHO CCC[C@H](C[C@H]1CCCCN1)[NH2+]C 259436129 573391137 /nfs/dbraw/zinc/39/11/37/573391137.db2.gz OHWSHZOJHXECGU-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO NCC1([C@H]([NH3+])C2CCC2)CCC1 259435194 573391201 /nfs/dbraw/zinc/39/12/01/573391201.db2.gz NILBBIKFKXSVJA-SECBINFHSA-N 1 3 168.284 1.243 10 0 ADAEHO C/C=C\C[N@@H+]1CCCC[C@@H]1[C@@H](C)N 214361543 573391326 /nfs/dbraw/zinc/39/13/26/573391326.db2.gz ICZQDBUYSWSQDT-ANDSXOESSA-N 1 3 182.311 1.764 10 0 ADAEHO C/C=C\C[N@H+]1CCCC[C@@H]1[C@@H](C)N 214361543 573391331 /nfs/dbraw/zinc/39/13/31/573391331.db2.gz ICZQDBUYSWSQDT-ANDSXOESSA-N 1 3 182.311 1.764 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)C12CCCC2 107162296 573391648 /nfs/dbraw/zinc/39/16/48/573391648.db2.gz GSYXVUMFNCEDFF-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@H+]1CC[C@H](CN)C12CCCC2 107162296 573391655 /nfs/dbraw/zinc/39/16/55/573391655.db2.gz GSYXVUMFNCEDFF-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H](C[NH2+]CC[C@H](N)C1CC1)C1CC1 133248116 573391815 /nfs/dbraw/zinc/39/18/15/573391815.db2.gz FEGTXKDOMHUECO-CABZTGNLSA-N 1 3 196.338 1.750 10 0 ADAEHO CC[C@]1(C)C[N@@H+](C2CC2)CCCN1 83091518 573393503 /nfs/dbraw/zinc/39/35/03/573393503.db2.gz ZYPGZXJBEFXXSF-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H](CN)C[NH2+]C[C@@H](C)C1CC1 133258404 573392963 /nfs/dbraw/zinc/39/29/63/573392963.db2.gz YHSGQBCZEUDOFT-NXEZZACHSA-N 1 3 184.327 1.607 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@]1(C)C1CC1 107162292 573393033 /nfs/dbraw/zinc/39/30/33/573393033.db2.gz IKEDQDFUXWCCOR-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@]1(C)C1CC1 107162292 573393036 /nfs/dbraw/zinc/39/30/36/573393036.db2.gz IKEDQDFUXWCCOR-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CCNC[C@H](C)C[NH2+]C[C@@H](C)C1CC1 133226855 573393132 /nfs/dbraw/zinc/39/31/32/573393132.db2.gz RIAYRIBSSYWFGP-WDEREUQCSA-N 1 3 198.354 1.868 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C2CC2)CCCN1 83091538 573394689 /nfs/dbraw/zinc/39/46/89/573394689.db2.gz TZQDUZHAWQFPAY-NSHDSACASA-N 1 3 182.311 1.469 10 0 ADAEHO C1CN[C@@H](C2CC2)C[N@@H+](C2CC2)C1 83091536 573393157 /nfs/dbraw/zinc/39/31/57/573393157.db2.gz RWPOQCSQEZECQF-LLVKDONJSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CN[C@@H](C2CC2)C[N@H+](C2CC2)C1 83091536 573393162 /nfs/dbraw/zinc/39/31/62/573393162.db2.gz RWPOQCSQEZECQF-LLVKDONJSA-N 1 3 180.295 1.223 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@]1(C)C1CC1 107162286 573393167 /nfs/dbraw/zinc/39/31/67/573393167.db2.gz IKEDQDFUXWCCOR-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@]1(C)C1CC1 107162286 573393173 /nfs/dbraw/zinc/39/31/73/573393173.db2.gz IKEDQDFUXWCCOR-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H](CNC)[C@@H]([NH2+]C)C(C)C 259438367 573393361 /nfs/dbraw/zinc/39/33/61/573393361.db2.gz ZQOFXESGHXREPV-UWVGGRQHSA-N 1 3 172.316 1.476 10 0 ADAEHO CCNC[C@@H](C)C[NH2+]C[C@H](C)C1CC1 133227057 573393464 /nfs/dbraw/zinc/39/34/64/573393464.db2.gz RIAYRIBSSYWFGP-MNOVXSKESA-N 1 3 198.354 1.868 10 0 ADAEHO CC[C@]1(C)C[N@H+](C2CC2)CCCN1 83091518 573393509 /nfs/dbraw/zinc/39/35/09/573393509.db2.gz ZYPGZXJBEFXXSF-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)C[C@@H](N)C[C@H]1CCC[NH2+]1 259438173 573394200 /nfs/dbraw/zinc/39/42/00/573394200.db2.gz PWFXJVQGXLBALW-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@]1(C)C[N@@H+](C2CC2)CCCN1 83091519 573394242 /nfs/dbraw/zinc/39/42/42/573394242.db2.gz ZYPGZXJBEFXXSF-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@]1(C)C[N@H+](C2CC2)CCCN1 83091519 573394250 /nfs/dbraw/zinc/39/42/50/573394250.db2.gz ZYPGZXJBEFXXSF-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)C12CCCC2 107162300 573394272 /nfs/dbraw/zinc/39/42/72/573394272.db2.gz GSYXVUMFNCEDFF-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)C12CCCC2 107162300 573394278 /nfs/dbraw/zinc/39/42/78/573394278.db2.gz GSYXVUMFNCEDFF-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CC(C)(C)[C@@H]1C[N@@H+](C2CC2)CCCN1 83091531 573394282 /nfs/dbraw/zinc/39/42/82/573394282.db2.gz GTEPANYBPSIAON-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[C@@H]1C[N@H+](C2CC2)CCCN1 83091531 573394286 /nfs/dbraw/zinc/39/42/86/573394286.db2.gz GTEPANYBPSIAON-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@@H+](C2CC2)CCCN1 83091505 573394352 /nfs/dbraw/zinc/39/43/52/573394352.db2.gz PCZHJIMGYFVMSF-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@H+](C2CC2)CCCN1 83091505 573394357 /nfs/dbraw/zinc/39/43/57/573394357.db2.gz PCZHJIMGYFVMSF-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@H](N)C[C@H]1CCC[NH2+]1 259438176 573394422 /nfs/dbraw/zinc/39/44/22/573394422.db2.gz PWFXJVQGXLBALW-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO CCN(CC)C[C@@]12CCC[C@@H]1C[NH2+]C2 308570576 573394460 /nfs/dbraw/zinc/39/44/60/573394460.db2.gz JZNYPRKJBURZHW-NEPJUHHUSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[C@@H](CNC)[C@H]([NH2+]C)C(C)C 259438369 573394472 /nfs/dbraw/zinc/39/44/72/573394472.db2.gz ZQOFXESGHXREPV-VHSXEESVSA-N 1 3 172.316 1.476 10 0 ADAEHO Cc1ccc([C@H](N)[C@H](C)C[NH3+])cc1C 259094333 573394524 /nfs/dbraw/zinc/39/45/24/573394524.db2.gz APGGPEDMLSLQCQ-ZYHUDNBSSA-N 1 3 192.306 1.898 10 0 ADAEHO CSCC[N@@H+]1CCCN[C@@H](C)C1 83093483 573394663 /nfs/dbraw/zinc/39/46/63/573394663.db2.gz OAEAPLAFUZMKAY-VIFPVBQESA-N 1 3 188.340 1.033 10 0 ADAEHO CSCC[N@H+]1CCCN[C@@H](C)C1 83093483 573394666 /nfs/dbraw/zinc/39/46/66/573394666.db2.gz OAEAPLAFUZMKAY-VIFPVBQESA-N 1 3 188.340 1.033 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C2CC2)CCCN1 83091538 573394682 /nfs/dbraw/zinc/39/46/82/573394682.db2.gz TZQDUZHAWQFPAY-NSHDSACASA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[C@@H]1C[N@@H+](C2CC2)CCCN1 83091511 573394834 /nfs/dbraw/zinc/39/48/34/573394834.db2.gz OXJCFFXSHZQQRV-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[C@@H]1C[N@H+](C2CC2)CCCN1 83091511 573394840 /nfs/dbraw/zinc/39/48/40/573394840.db2.gz OXJCFFXSHZQQRV-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO Cc1ccc([C@@H](N)[C@H](C)C[NH3+])cc1C 259094331 573395063 /nfs/dbraw/zinc/39/50/63/573395063.db2.gz APGGPEDMLSLQCQ-PWSUYJOCSA-N 1 3 192.306 1.898 10 0 ADAEHO C[C@@H](C[NH2+]Cc1ccc[nH]1)CN(C)C 308571981 573401061 /nfs/dbraw/zinc/40/10/61/573401061.db2.gz KWIJSTWLKGAFKS-JTQLQIEISA-N 1 3 195.310 1.302 10 0 ADAEHO CN(C)C[C@@H](C[NH3+])C1CCCC1 258343358 573401078 /nfs/dbraw/zinc/40/10/78/573401078.db2.gz QPBVSTDHTRVYEX-SNVBAGLBSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H](CN)[C@@H](CC)[NH+](C)C 259440908 573401083 /nfs/dbraw/zinc/40/10/83/573401083.db2.gz IVKVZESWWGMEDG-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](CC)N(C)C 259440908 573401091 /nfs/dbraw/zinc/40/10/91/573401091.db2.gz IVKVZESWWGMEDG-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@H](C[NH3+])[C@H](c1ccccc1)N(C)C 259440883 573400563 /nfs/dbraw/zinc/40/05/63/573400563.db2.gz IVDJUYSSDBUCRM-ZYHUDNBSSA-N 1 3 192.306 1.884 10 0 ADAEHO CO[C@@H]1c2ccccc2[C@H](N)C[C@@H]1[NH3+] 238388056 573400630 /nfs/dbraw/zinc/40/06/30/573400630.db2.gz RCHWGONLISEURV-OUAUKWLOSA-N 1 3 192.262 1.105 10 0 ADAEHO C1C[C@@H]2CC[NH2+][C@H]2[C@H]2CCCN2C1 257810254 573400845 /nfs/dbraw/zinc/40/08/45/573400845.db2.gz AIMTYHZWOIZLNP-GMTAPVOTSA-N 1 3 180.295 1.223 10 0 ADAEHO CC[C@](C)(N)C[NH2+]CCC(C)(F)F 393631092 573402618 /nfs/dbraw/zinc/40/26/18/573402618.db2.gz JGGJJOBNFVYJNV-QMMMGPOBSA-N 1 3 194.269 1.749 10 0 ADAEHO CC(C)(C)C[NH2+][C@@H]1CC[C@@H](N)C1 86399578 573403252 /nfs/dbraw/zinc/40/32/52/573403252.db2.gz KFPCTNZGCNSQHV-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCC[NH2+][C@H]1CC[C@@H](N)C1 86397128 573403317 /nfs/dbraw/zinc/40/33/17/573403317.db2.gz CPZOGGXQJSURCT-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC[C@H](N)C1)C1CC1 86398418 573403345 /nfs/dbraw/zinc/40/33/45/573403345.db2.gz UPUOWEQZXDZYGD-UJNFCWOMSA-N 1 3 168.284 1.254 10 0 ADAEHO CCCC[NH2+][C@@H]1CC[C@H](N)C1 86397124 573403881 /nfs/dbraw/zinc/40/38/81/573403881.db2.gz CPZOGGXQJSURCT-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CC1(C)C[C@@H]1N[C@H]1CC[C@H]([NH3+])C1 86400129 573403958 /nfs/dbraw/zinc/40/39/58/573403958.db2.gz KGCUYLARALMJQK-CIUDSAMLSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 86400129 573403981 /nfs/dbraw/zinc/40/39/81/573403981.db2.gz KGCUYLARALMJQK-CIUDSAMLSA-N 1 3 168.284 1.254 10 0 ADAEHO [NH3+][C@H]1CC[C@H](NCc2cccs2)C1 86397877 573404027 /nfs/dbraw/zinc/40/40/27/573404027.db2.gz IILWNEVEQBPNEF-IUCAKERBSA-N 1 3 196.319 1.718 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]C2CCC2)C1 86400279 573404613 /nfs/dbraw/zinc/40/46/13/573404613.db2.gz KWYFIZBMZQBJNC-IONNQARKSA-N 1 3 154.257 1.008 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CC[C@H](N)C1 86396920 573404666 /nfs/dbraw/zinc/40/46/66/573404666.db2.gz VMMJGAPORXPKLU-WCBMZHEXSA-N 1 3 170.300 1.644 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](N)C2)[C@@H]1C 86401022 573404676 /nfs/dbraw/zinc/40/46/76/573404676.db2.gz FXKNWSRNOOGJII-ZIQFBCGOSA-N 1 3 196.338 1.890 10 0 ADAEHO CCC[C@H]([NH3+])CN1C[C@H]2CCC[C@@H]2C1 126176887 573404689 /nfs/dbraw/zinc/40/46/89/573404689.db2.gz BDOWCVRKOXKDSG-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 86398339 573404764 /nfs/dbraw/zinc/40/47/64/573404764.db2.gz YUTRQGNBXMIYPJ-GHMZBOCLSA-N 1 3 182.311 1.646 10 0 ADAEHO CCc1cc(N[C@H]2CC[NH2+]C2)ccn1 107177735 573405991 /nfs/dbraw/zinc/40/59/91/573405991.db2.gz YYXKALCVTVFZMX-NSHDSACASA-N 1 3 191.278 1.418 10 0 ADAEHO CN(C)C[C@@H]1C[NH2+]CC(C)(C)C1 258646772 573407045 /nfs/dbraw/zinc/40/70/45/573407045.db2.gz ZEHAYJNRZQHXOV-VIFPVBQESA-N 1 3 170.300 1.184 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]CC2CCC2)C1 86398306 573407124 /nfs/dbraw/zinc/40/71/24/573407124.db2.gz GVBKYDDPIMFMND-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]CC2CCCC2)C1 86398340 573407146 /nfs/dbraw/zinc/40/71/46/573407146.db2.gz YUTRQGNBXMIYPJ-MNOVXSKESA-N 1 3 182.311 1.646 10 0 ADAEHO CC(C)(C)C[NH2+][C@@H]1CC[C@H](N)C1 86399574 573407173 /nfs/dbraw/zinc/40/71/73/573407173.db2.gz KFPCTNZGCNSQHV-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CN(C)C[C@H]1C[NH2+]CC(C)(C)C1 258646770 573407278 /nfs/dbraw/zinc/40/72/78/573407278.db2.gz ZEHAYJNRZQHXOV-SECBINFHSA-N 1 3 170.300 1.184 10 0 ADAEHO C[C@H](C[NH3+])CNCc1ccc(O)cc1 308575082 573407387 /nfs/dbraw/zinc/40/73/87/573407387.db2.gz MEJLRFWWVLRCBW-SECBINFHSA-N 1 3 194.278 1.077 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]([NH2+]C)C1CCC1 259097133 573407499 /nfs/dbraw/zinc/40/74/99/573407499.db2.gz DTXWMEPYIQFBSY-VXGBXAGGSA-N 1 3 198.354 1.866 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CC[C@H](N)C1 86396904 573407523 /nfs/dbraw/zinc/40/75/23/573407523.db2.gz JWHTZNDTCAAYLM-DTWKUNHWSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]C2CCCC2)C1 86396918 573408111 /nfs/dbraw/zinc/40/81/11/573408111.db2.gz NOSNUILAOSDGJV-SCZZXKLOSA-N 1 3 168.284 1.398 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]CC2CCC2)C1 86398308 573408203 /nfs/dbraw/zinc/40/82/03/573408203.db2.gz GVBKYDDPIMFMND-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO CCCC[NH2+][C@@H]1CC[C@@H](N)C1 86397126 573408225 /nfs/dbraw/zinc/40/82/25/573408225.db2.gz CPZOGGXQJSURCT-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](NCc2cccs2)C1 86397882 573408234 /nfs/dbraw/zinc/40/82/34/573408234.db2.gz IILWNEVEQBPNEF-BDAKNGLRSA-N 1 3 196.319 1.718 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86398220 573408273 /nfs/dbraw/zinc/40/82/73/573408273.db2.gz ZFFSXEGHEDUALC-GUBZILKMSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)(C)C[NH2+][C@H]1CC[C@@H](N)C1 86399580 573408286 /nfs/dbraw/zinc/40/82/86/573408286.db2.gz KFPCTNZGCNSQHV-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 86400521 573408346 /nfs/dbraw/zinc/40/83/46/573408346.db2.gz JRVOQMXJVNELOJ-YTWAJWBKSA-N 1 3 182.311 1.644 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86398218 573408417 /nfs/dbraw/zinc/40/84/17/573408417.db2.gz ZFFSXEGHEDUALC-LPEHRKFASA-N 1 3 170.300 1.500 10 0 ADAEHO CCC[C@@H]([C@@H](CC)CNC)[NH+](C)C 259098346 573408508 /nfs/dbraw/zinc/40/85/08/573408508.db2.gz GYQJVHWBGRLBGP-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@@H]([C@@H](CC)C[NH2+]C)N(C)C 259098346 573408504 /nfs/dbraw/zinc/40/85/04/573408504.db2.gz GYQJVHWBGRLBGP-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@@](N)(C[NH2+]CCC(F)F)C1CC1 308385474 573409807 /nfs/dbraw/zinc/40/98/07/573409807.db2.gz TZLRPXZPWMTYRD-SECBINFHSA-N 1 3 192.253 1.359 10 0 ADAEHO CCC[C@@H]([C@H](CC)C[NH2+]C)N(C)C 259098344 573409836 /nfs/dbraw/zinc/40/98/36/573409836.db2.gz GYQJVHWBGRLBGP-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@@H]([C@H](CC)CNC)[NH+](C)C 259098344 573409843 /nfs/dbraw/zinc/40/98/43/573409843.db2.gz GYQJVHWBGRLBGP-MNOVXSKESA-N 1 3 186.343 1.962 10 0 ADAEHO CC1(C)C(N[C@H]2CC[C@H]([NH3+])C2)C1(C)C 86401448 573409878 /nfs/dbraw/zinc/40/98/78/573409878.db2.gz RTRKMLVSAQMSQI-IUCAKERBSA-N 1 3 196.338 1.890 10 0 ADAEHO CC1(C)C([NH2+][C@H]2CC[C@H](N)C2)C1(C)C 86401448 573409886 /nfs/dbraw/zinc/40/98/86/573409886.db2.gz RTRKMLVSAQMSQI-IUCAKERBSA-N 1 3 196.338 1.890 10 0 ADAEHO CC1(C)C(N[C@@H]2CC[C@@H]([NH3+])C2)C1(C)C 86401449 573411054 /nfs/dbraw/zinc/41/10/54/573411054.db2.gz RTRKMLVSAQMSQI-RKDXNWHRSA-N 1 3 196.338 1.890 10 0 ADAEHO CC1(C)C([NH2+][C@@H]2CC[C@@H](N)C2)C1(C)C 86401449 573411057 /nfs/dbraw/zinc/41/10/57/573411057.db2.gz RTRKMLVSAQMSQI-RKDXNWHRSA-N 1 3 196.338 1.890 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]([NH2+]C)C1CCC1 259097129 573411163 /nfs/dbraw/zinc/41/11/63/573411163.db2.gz DTXWMEPYIQFBSY-RYUDHWBXSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCC[N@@H+]1CC1CCC1 308578132 573411488 /nfs/dbraw/zinc/41/14/88/573411488.db2.gz INLDWBWNDWCSLF-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCC[N@H+]1CC1CCC1 308578132 573411494 /nfs/dbraw/zinc/41/14/94/573411494.db2.gz INLDWBWNDWCSLF-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C[NH2+][C@H]1C=CCCC1)CN(C)C 308577713 573411913 /nfs/dbraw/zinc/41/19/13/573411913.db2.gz NLFQGRIFROHVCZ-RYUDHWBXSA-N 1 3 196.338 1.882 10 0 ADAEHO C[C@@H](CN[C@H]1C=CCCC1)C[NH+](C)C 308577713 573411922 /nfs/dbraw/zinc/41/19/22/573411922.db2.gz NLFQGRIFROHVCZ-RYUDHWBXSA-N 1 3 196.338 1.882 10 0 ADAEHO C[C@H](CC(F)F)N1CC[C@@H](C[NH3+])C1 308386466 573413130 /nfs/dbraw/zinc/41/31/30/573413130.db2.gz UUSPHDBNDNPCDA-SFYZADRCSA-N 1 3 192.253 1.311 10 0 ADAEHO C[C@@H](CC(F)F)N1CC[C@H](C[NH3+])C1 308386464 573413256 /nfs/dbraw/zinc/41/32/56/573413256.db2.gz UUSPHDBNDNPCDA-JGVFFNPUSA-N 1 3 192.253 1.311 10 0 ADAEHO C[C@H](C[NH2+][C@H]1C=CCCC1)CN(C)C 308577711 573413571 /nfs/dbraw/zinc/41/35/71/573413571.db2.gz NLFQGRIFROHVCZ-NEPJUHHUSA-N 1 3 196.338 1.882 10 0 ADAEHO C[C@H](CN[C@H]1C=CCCC1)C[NH+](C)C 308577711 573413578 /nfs/dbraw/zinc/41/35/78/573413578.db2.gz NLFQGRIFROHVCZ-NEPJUHHUSA-N 1 3 196.338 1.882 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1C=CCCC1)CN(C)C 308577714 573413849 /nfs/dbraw/zinc/41/38/49/573413849.db2.gz NLFQGRIFROHVCZ-VXGBXAGGSA-N 1 3 196.338 1.882 10 0 ADAEHO C[C@H](CN[C@@H]1C=CCCC1)C[NH+](C)C 308577714 573413853 /nfs/dbraw/zinc/41/38/53/573413853.db2.gz NLFQGRIFROHVCZ-VXGBXAGGSA-N 1 3 196.338 1.882 10 0 ADAEHO CCNC[C@H]([NH3+])C1CCCC1 259442019 573414186 /nfs/dbraw/zinc/41/41/86/573414186.db2.gz QAGLLEBEKBMZSL-VIFPVBQESA-N 1 3 156.273 1.113 10 0 ADAEHO CCNC[C@@H]([NH3+])C1CCCC1 259442018 573414339 /nfs/dbraw/zinc/41/43/39/573414339.db2.gz QAGLLEBEKBMZSL-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CC[C@H](N)C1 86409674 573414366 /nfs/dbraw/zinc/41/43/66/573414366.db2.gz ROTRRMNXQLWHKN-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CC[C@H](N)C1 86409674 573414371 /nfs/dbraw/zinc/41/43/71/573414371.db2.gz ROTRRMNXQLWHKN-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N(C)[C@H]1CC[C@H]([NH3+])C1 86409674 573414376 /nfs/dbraw/zinc/41/43/76/573414376.db2.gz ROTRRMNXQLWHKN-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCC[C@H](N)C1 86410122 573414456 /nfs/dbraw/zinc/41/44/56/573414456.db2.gz LBZLFIOEUFTUHO-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86410122 573414462 /nfs/dbraw/zinc/41/44/62/573414462.db2.gz LBZLFIOEUFTUHO-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCN(C)[C@@H]1CCC[C@H]([NH3+])C1 86410122 573414467 /nfs/dbraw/zinc/41/44/67/573414467.db2.gz LBZLFIOEUFTUHO-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CC[C@H](N)C1 86410102 573415011 /nfs/dbraw/zinc/41/50/11/573415011.db2.gz JFKIBUCMBCCGOR-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CC[C@H](N)C1 86410102 573415017 /nfs/dbraw/zinc/41/50/17/573415017.db2.gz JFKIBUCMBCCGOR-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CNCC1([C@H]([NH2+]C)C2CCC2)CC1 259442251 573415187 /nfs/dbraw/zinc/41/51/87/573415187.db2.gz OOYGPSNAJZCDAF-SNVBAGLBSA-N 1 3 182.311 1.374 10 0 ADAEHO C/C=C\CN1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 308387594 573415327 /nfs/dbraw/zinc/41/53/27/573415327.db2.gz PQWIYVSAVNWWKT-JXZKHDOVSA-N 1 3 194.322 1.622 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCC[C@H](N)C1 86409667 573415483 /nfs/dbraw/zinc/41/54/83/573415483.db2.gz FFPGLWBNTDZFHU-VHSXEESVSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86409667 573415487 /nfs/dbraw/zinc/41/54/87/573415487.db2.gz FFPGLWBNTDZFHU-VHSXEESVSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)N(C)[C@@H]1CCC[C@H]([NH3+])C1 86409667 573415491 /nfs/dbraw/zinc/41/54/91/573415491.db2.gz FFPGLWBNTDZFHU-VHSXEESVSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@H+](CC(C)C)[C@@H]1CC[C@H](N)C1 86410154 573415589 /nfs/dbraw/zinc/41/55/89/573415589.db2.gz PVDUBCHJSDZVHP-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@@H]1CC[C@H](N)C1 86410154 573415595 /nfs/dbraw/zinc/41/55/95/573415595.db2.gz PVDUBCHJSDZVHP-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@H+](C1CCCC1)[C@@H]1CC[C@H](N)C1 86410095 573415612 /nfs/dbraw/zinc/41/56/12/573415612.db2.gz YJSKOHQKAGALAV-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@@H]1CC[C@H](N)C1 86410095 573415619 /nfs/dbraw/zinc/41/56/19/573415619.db2.gz YJSKOHQKAGALAV-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](CN)CCC1(C)C 259442304 573415638 /nfs/dbraw/zinc/41/56/38/573415638.db2.gz OOYQSWCISGLHRE-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](CN)CCC1(C)C 259442304 573415644 /nfs/dbraw/zinc/41/56/44/573415644.db2.gz OOYQSWCISGLHRE-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H](N)C1 86410142 573415659 /nfs/dbraw/zinc/41/56/59/573415659.db2.gz FPPXHEBSXKROIM-GARJFASQSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86410142 573415663 /nfs/dbraw/zinc/41/56/63/573415663.db2.gz FPPXHEBSXKROIM-GARJFASQSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 86431406 573415705 /nfs/dbraw/zinc/41/57/05/573415705.db2.gz PLUHRLPSWAKRTI-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](N)C2)C1 86431406 573415712 /nfs/dbraw/zinc/41/57/12/573415712.db2.gz PLUHRLPSWAKRTI-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CNCC1([C@@H]([NH2+]C)C2CCC2)CC1 259442249 573415826 /nfs/dbraw/zinc/41/58/26/573415826.db2.gz OOYGPSNAJZCDAF-JTQLQIEISA-N 1 3 182.311 1.374 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CC[C@H](N)C1 86410089 573416024 /nfs/dbraw/zinc/41/60/24/573416024.db2.gz MGAIZMKKWDLRMF-UWVGGRQHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CC[C@H](N)C1 86410089 573416034 /nfs/dbraw/zinc/41/60/34/573416034.db2.gz MGAIZMKKWDLRMF-UWVGGRQHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CCC[C@H](N)C1 86410068 573417279 /nfs/dbraw/zinc/41/72/79/573417279.db2.gz ZYGVKFGRKLPJDV-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CCC[C@H](N)C1 86410068 573417281 /nfs/dbraw/zinc/41/72/81/573417281.db2.gz ZYGVKFGRKLPJDV-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@H](N)C1 86410129 573418545 /nfs/dbraw/zinc/41/85/45/573418545.db2.gz LKBUIKVSSFNMQL-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@H](N)C1 86410129 573418551 /nfs/dbraw/zinc/41/85/51/573418551.db2.gz LKBUIKVSSFNMQL-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[N@H+](C1CCCC1)[C@H]1CC[C@H](N)C1 86410097 573418238 /nfs/dbraw/zinc/41/82/38/573418238.db2.gz YJSKOHQKAGALAV-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@H]1CC[C@H](N)C1 86410097 573418244 /nfs/dbraw/zinc/41/82/44/573418244.db2.gz YJSKOHQKAGALAV-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO CCCN(C)[C@H]1CC[C@H]([NH3+])C1 86410129 573418557 /nfs/dbraw/zinc/41/85/57/573418557.db2.gz LKBUIKVSSFNMQL-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)(C)CC[NH2+][C@H]1CC[C@@H](N)C1 129976113 573418383 /nfs/dbraw/zinc/41/83/83/573418383.db2.gz AFWQUYMHBIAYJT-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[C@H](N)C1 86410346 573420076 /nfs/dbraw/zinc/42/00/76/573420076.db2.gz WCCUCNIAOOUZHC-GARJFASQSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](N)C1 86410346 573420081 /nfs/dbraw/zinc/42/00/81/573420081.db2.gz WCCUCNIAOOUZHC-GARJFASQSA-N 1 3 184.327 1.843 10 0 ADAEHO CN1CC=C(CC[NH2+]C2CCC2)CC1 258024620 573420115 /nfs/dbraw/zinc/42/01/15/573420115.db2.gz JRZNBBNWCHKKQY-UHFFFAOYSA-N 1 3 194.322 1.781 10 0 ADAEHO C[N@H+](CC1CCC1)[C@H]1CCC[C@H](N)C1 86432715 573421337 /nfs/dbraw/zinc/42/13/37/573421337.db2.gz QPUIXPXPRKCKME-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@H]1CCC[C@H](N)C1 86432715 573421341 /nfs/dbraw/zinc/42/13/41/573421341.db2.gz QPUIXPXPRKCKME-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO [NH3+][C@H](CCN1CCCC1)C1CC1 130001321 573421173 /nfs/dbraw/zinc/42/11/73/573421173.db2.gz ABXNCNVRPJLIEK-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86431644 573421276 /nfs/dbraw/zinc/42/12/76/573421276.db2.gz LMEUFBKFYLEMCX-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CC[C@H](N)C1 86431644 573421281 /nfs/dbraw/zinc/42/12/81/573421281.db2.gz LMEUFBKFYLEMCX-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86431644 573421285 /nfs/dbraw/zinc/42/12/85/573421285.db2.gz LMEUFBKFYLEMCX-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](N)C2)[C@@H]1C 86432660 573422760 /nfs/dbraw/zinc/42/27/60/573422760.db2.gz VBJFTHWXRGYQKV-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](N)C2)[C@@H]1C 86432660 573422767 /nfs/dbraw/zinc/42/27/67/573422767.db2.gz VBJFTHWXRGYQKV-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO CC1CCN(CC[C@@H]([NH3+])C2CC2)CC1 130000951 573422794 /nfs/dbraw/zinc/42/27/94/573422794.db2.gz IQMDSWGWYRGRQS-GFCCVEGCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[N@H+](CCCN)C[C@@H](C)C1 334865520 573422193 /nfs/dbraw/zinc/42/21/93/573422193.db2.gz UTEZLSMTTOSFPB-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCCN)C[C@@H](C)C1 334865520 573422203 /nfs/dbraw/zinc/42/22/03/573422203.db2.gz UTEZLSMTTOSFPB-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@H+](CC1CCCC1)[C@@H]1CC[C@H](N)C1 86432873 573422216 /nfs/dbraw/zinc/42/22/16/573422216.db2.gz JKILUEAPCMKFLX-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CC1CCCC1)[C@@H]1CC[C@H](N)C1 86432873 573422220 /nfs/dbraw/zinc/42/22/20/573422220.db2.gz JKILUEAPCMKFLX-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO NC[C@H]1CC[N@H+](CC[C@H]2C=CCC2)C1 308381910 573422242 /nfs/dbraw/zinc/42/22/42/573422242.db2.gz WYOBPEZIGWAORS-NWDGAFQWSA-N 1 3 194.322 1.623 10 0 ADAEHO NC[C@H]1CC[N@@H+](CC[C@H]2C=CCC2)C1 308381910 573422245 /nfs/dbraw/zinc/42/22/45/573422245.db2.gz WYOBPEZIGWAORS-NWDGAFQWSA-N 1 3 194.322 1.623 10 0 ADAEHO CC[N@H+](CC1CNC1)C(C)(C)C 394318966 573422303 /nfs/dbraw/zinc/42/23/03/573422303.db2.gz BXDIFSIWRNIFEV-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+](CC1CNC1)C(C)(C)C 394318966 573422309 /nfs/dbraw/zinc/42/23/09/573422309.db2.gz BXDIFSIWRNIFEV-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN(CC1C[NH2+]C1)C(C)(C)C 394318966 573422316 /nfs/dbraw/zinc/42/23/16/573422316.db2.gz BXDIFSIWRNIFEV-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[N@H+](C)CC[C@H](N)C1CC1 130018037 573422509 /nfs/dbraw/zinc/42/25/09/573422509.db2.gz IANKTPXRKKXHGT-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)CC[C@H](N)C1CC1 130025859 573422455 /nfs/dbraw/zinc/42/24/55/573422455.db2.gz XBUBGTDZRGBTJR-CABZTGNLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)CC[C@H](N)C1CC1 130025859 573422460 /nfs/dbraw/zinc/42/24/60/573422460.db2.gz XBUBGTDZRGBTJR-CABZTGNLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C1CC1)N(C)CC[C@H]([NH3+])C1CC1 130025859 573422467 /nfs/dbraw/zinc/42/24/67/573422467.db2.gz XBUBGTDZRGBTJR-CABZTGNLSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C(C)(C)[N@@H+]1C 107220471 573422495 /nfs/dbraw/zinc/42/24/95/573422495.db2.gz KUYRDHRFZRHYGC-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C(C)(C)[N@H+]1C 107220471 573422501 /nfs/dbraw/zinc/42/25/01/573422501.db2.gz KUYRDHRFZRHYGC-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CC[C@H](N)C1CC1 130018037 573422514 /nfs/dbraw/zinc/42/25/14/573422514.db2.gz IANKTPXRKKXHGT-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)N(C)CC[C@H]([NH3+])C1CC1 130018037 573422518 /nfs/dbraw/zinc/42/25/18/573422518.db2.gz IANKTPXRKKXHGT-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CN[C@H]1C[C@H](C)[N@@H+](C(C)C)C1 107220546 573422543 /nfs/dbraw/zinc/42/25/43/573422543.db2.gz GFEJRXLDLOEZSF-IUCAKERBSA-N 1 3 156.273 1.077 10 0 ADAEHO CN[C@H]1C[C@H](C)[N@H+](C(C)C)C1 107220546 573422548 /nfs/dbraw/zinc/42/25/48/573422548.db2.gz GFEJRXLDLOEZSF-IUCAKERBSA-N 1 3 156.273 1.077 10 0 ADAEHO CCC[N@H+](CC)CC[C@H](N)C1CC1 130015607 573422846 /nfs/dbraw/zinc/42/28/46/573422846.db2.gz NZNIMMXEIMXIQB-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H]1CC[C@H](N)C1 86433011 573422652 /nfs/dbraw/zinc/42/26/52/573422652.db2.gz UHKYQRBDRHBAKC-NOOOWODRSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CC[C@H](N)C1 86433011 573422660 /nfs/dbraw/zinc/42/26/60/573422660.db2.gz UHKYQRBDRHBAKC-NOOOWODRSA-N 1 3 196.338 1.987 10 0 ADAEHO CCC[N@@H+](CC)CC[C@H](N)C1CC1 130015607 573422851 /nfs/dbraw/zinc/42/28/51/573422851.db2.gz NZNIMMXEIMXIQB-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[C@H](N)C1 86432909 573422715 /nfs/dbraw/zinc/42/27/15/573422715.db2.gz ZWVHXTQACDIIMS-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@H](N)C1 86432909 573422718 /nfs/dbraw/zinc/42/27/18/573422718.db2.gz ZWVHXTQACDIIMS-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO NC[C@@H]1CC[N@H+](CC[C@H]2C=CCC2)C1 308381911 573422741 /nfs/dbraw/zinc/42/27/41/573422741.db2.gz WYOBPEZIGWAORS-RYUDHWBXSA-N 1 3 194.322 1.623 10 0 ADAEHO NC[C@@H]1CC[N@@H+](CC[C@H]2C=CCC2)C1 308381911 573422749 /nfs/dbraw/zinc/42/27/49/573422749.db2.gz WYOBPEZIGWAORS-RYUDHWBXSA-N 1 3 194.322 1.623 10 0 ADAEHO CCCN(CC)CC[C@H]([NH3+])C1CC1 130015607 573422856 /nfs/dbraw/zinc/42/28/56/573422856.db2.gz NZNIMMXEIMXIQB-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)N1CC=C(C[NH+](C)C)C1 258024534 573422879 /nfs/dbraw/zinc/42/28/79/573422879.db2.gz JQVIRLLPVILIJW-UHFFFAOYSA-N 1 3 168.284 1.198 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](N)C1 86431628 573422969 /nfs/dbraw/zinc/42/29/69/573422969.db2.gz ZEZWUSUSBSDCEL-KXUCPTDWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](N)C1 86431628 573422975 /nfs/dbraw/zinc/42/29/75/573422975.db2.gz ZEZWUSUSBSDCEL-KXUCPTDWSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@H]1[C@H](CN)CCC[N@@H+]1C 107220479 573423016 /nfs/dbraw/zinc/42/30/16/573423016.db2.gz AUQVPBNTDCQNEV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1[C@H](CN)CCC[N@H+]1C 107220479 573423019 /nfs/dbraw/zinc/42/30/19/573423019.db2.gz AUQVPBNTDCQNEV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1[C@H](C[NH3+])CCCN1C 107220479 573423025 /nfs/dbraw/zinc/42/30/25/573423025.db2.gz AUQVPBNTDCQNEV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 86431698 573426223 /nfs/dbraw/zinc/42/62/23/573426223.db2.gz AFYCQVZNIBMDHB-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](N)C2)C1 86431698 573426228 /nfs/dbraw/zinc/42/62/28/573426228.db2.gz AFYCQVZNIBMDHB-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@H]1CC[C@H](N)C1 86432821 573426272 /nfs/dbraw/zinc/42/62/72/573426272.db2.gz MTOCQZFWICGEDA-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO CCN(CC[C@@H]([NH3+])C1CC1)C(C)C 130014507 573425349 /nfs/dbraw/zinc/42/53/49/573425349.db2.gz BAZGEQXLNJCEOW-LLVKDONJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@H](CN)C(C)(C)[N@@H+]1C 107220466 573425512 /nfs/dbraw/zinc/42/55/12/573425512.db2.gz KUYRDHRFZRHYGC-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC1CC[NH+]([C@@H]2CC[C@H](N)C2)CC1 86431806 573425513 /nfs/dbraw/zinc/42/55/13/573425513.db2.gz GKDITLADGWCFMP-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[C@H](CN)C(C)(C)[N@H+]1C 107220466 573425517 /nfs/dbraw/zinc/42/55/17/573425517.db2.gz KUYRDHRFZRHYGC-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC1CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 86431806 573425519 /nfs/dbraw/zinc/42/55/19/573425519.db2.gz GKDITLADGWCFMP-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CCN(CC[C@H]([NH3+])C1CC1)C1CC1 130013440 573425568 /nfs/dbraw/zinc/42/55/68/573425568.db2.gz IABDVHGKSQTOBK-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](CC(C)(C)C)[C@H]1CC[C@H](N)C1 86432598 573425605 /nfs/dbraw/zinc/42/56/05/573425605.db2.gz DIKVDDREZKRVOF-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H](N)C1 86432598 573425608 /nfs/dbraw/zinc/42/56/08/573425608.db2.gz DIKVDDREZKRVOF-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CN(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])C1 86432598 573425611 /nfs/dbraw/zinc/42/56/11/573425611.db2.gz DIKVDDREZKRVOF-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@H]1CC[C@H](N)C1 86432821 573426278 /nfs/dbraw/zinc/42/62/78/573426278.db2.gz MTOCQZFWICGEDA-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H](N)C1 86431623 573425835 /nfs/dbraw/zinc/42/58/35/573425835.db2.gz DACRJYICGKVFAC-OUAUKWLOSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H](N)C1 86431623 573425838 /nfs/dbraw/zinc/42/58/38/573425838.db2.gz DACRJYICGKVFAC-OUAUKWLOSA-N 1 3 182.311 1.741 10 0 ADAEHO N[C@H](CC[NH+]1CCCCCC1)C1CC1 130004298 573425865 /nfs/dbraw/zinc/42/58/65/573425865.db2.gz AFMSRHJXHJSWOB-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](N)C2)C[C@@H]1C 86433061 573426150 /nfs/dbraw/zinc/42/61/50/573426150.db2.gz LQHXGEQZBDJGCS-WHOHXGKFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CCC[C@H](N)C2)C[C@H]1C 86433063 573425895 /nfs/dbraw/zinc/42/58/95/573425895.db2.gz LQHXGEQZBDJGCS-WISYIIOYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](N)C2)[C@H](C)C1 86432680 573425910 /nfs/dbraw/zinc/42/59/10/573425910.db2.gz APLUBOVTMMNHTP-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](N)C2)[C@H](C)C1 86432680 573425913 /nfs/dbraw/zinc/42/59/13/573425913.db2.gz APLUBOVTMMNHTP-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](CN)[C@H]1C 107220506 573426020 /nfs/dbraw/zinc/42/60/20/573426020.db2.gz LREHDADJMJUVPY-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](CN)[C@H]1C 107220506 573426024 /nfs/dbraw/zinc/42/60/24/573426024.db2.gz LREHDADJMJUVPY-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](N)C2)C[C@@H]1C 86433061 573426155 /nfs/dbraw/zinc/42/61/55/573426155.db2.gz LQHXGEQZBDJGCS-WHOHXGKFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[N@H+](CC(C)(C)C)[C@@H]1CC[C@H](N)C1 86432597 573427941 /nfs/dbraw/zinc/42/79/41/573427941.db2.gz DIKVDDREZKRVOF-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@H](N)C1 86432597 573427947 /nfs/dbraw/zinc/42/79/47/573427947.db2.gz DIKVDDREZKRVOF-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CN(CC(C)(C)C)[C@@H]1CC[C@H]([NH3+])C1 86432597 573427951 /nfs/dbraw/zinc/42/79/51/573427951.db2.gz DIKVDDREZKRVOF-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@H+](CC[C@@H](N)C1CC1)C1CCCC1 130015388 573428071 /nfs/dbraw/zinc/42/80/71/573428071.db2.gz QPZBAZNIOKTFQT-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CC[C@@H](N)C1CC1)C1CCCC1 130015388 573428079 /nfs/dbraw/zinc/42/80/79/573428079.db2.gz QPZBAZNIOKTFQT-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1N(C)CC[C@]12CC[NH2+]C2 107223898 573428080 /nfs/dbraw/zinc/42/80/80/573428080.db2.gz QFFUDTSIWOHLLM-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CN(CC[C@@H]([NH3+])C1CC1)C1CCCC1 130015388 573428085 /nfs/dbraw/zinc/42/80/85/573428085.db2.gz QPZBAZNIOKTFQT-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1N(C)CCC[C@@]12CC[NH2+]C2 107223909 573428195 /nfs/dbraw/zinc/42/81/95/573428195.db2.gz QSKYBSRIIIGXHA-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1N(C)CCC[C@@]12CC[NH2+]C2 107223911 573428459 /nfs/dbraw/zinc/42/84/59/573428459.db2.gz QSKYBSRIIIGXHA-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH2+][C@H](C)c1ccc(OC)c(CN)c1 257811308 573428462 /nfs/dbraw/zinc/42/84/62/573428462.db2.gz BDJMQVAORUFHFI-MRVPVSSYSA-N 1 3 194.278 1.434 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CN[C@H](C)CC(F)F 308382290 573428511 /nfs/dbraw/zinc/42/85/11/573428511.db2.gz REFNPPCLQGEPEJ-RNJXMRFFSA-N 1 3 194.269 1.603 10 0 ADAEHO C[C@H]1N(C)CC[C@@]12CCC[NH2+]C2 107223661 573428615 /nfs/dbraw/zinc/42/86/15/573428615.db2.gz GCDRPUICOVOBPX-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[N@H+](C)CC[C@@]12CCCNC2 107223661 573428622 /nfs/dbraw/zinc/42/86/22/573428622.db2.gz GCDRPUICOVOBPX-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[N@@H+](C)CC[C@@]12CCCNC2 107223661 573428626 /nfs/dbraw/zinc/42/86/26/573428626.db2.gz GCDRPUICOVOBPX-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)[C@@H]1[C@@H]([NH3+])CCN1C1CC1 107224045 573428731 /nfs/dbraw/zinc/42/87/31/573428731.db2.gz GFLJYYACOWLFJL-VHSXEESVSA-N 1 3 168.284 1.206 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CC[N@@H+]1C(C)C 107224767 573428755 /nfs/dbraw/zinc/42/87/55/573428755.db2.gz ZNAZWOMNNDMHKP-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CC[N@H+]1C(C)C 107224767 573428760 /nfs/dbraw/zinc/42/87/60/573428760.db2.gz ZNAZWOMNNDMHKP-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)CCC[NH2+]CC(C)(C)CN 258650262 573429054 /nfs/dbraw/zinc/42/90/54/573429054.db2.gz AOBXVFQKFMDWGK-UHFFFAOYSA-N 1 3 186.343 1.997 10 0 ADAEHO CN1CC[C@@]2(CC[NH2+]C2)C1(C)C 107223924 573429078 /nfs/dbraw/zinc/42/90/78/573429078.db2.gz SWMGBPBZTSDQQL-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO CN(CC[C@H]([NH3+])C1CC1)CC1CC1 130033109 573429207 /nfs/dbraw/zinc/42/92/07/573429207.db2.gz ASKIUFJOIAAPJM-NSHDSACASA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)[NH2+]CC[C@@H](N)C1CC1 130037577 573429294 /nfs/dbraw/zinc/42/92/94/573429294.db2.gz SZSYJDCHYXFTMT-WCBMZHEXSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[NH2+]CC[C@@H](N)C1CC1 130035436 573429441 /nfs/dbraw/zinc/42/94/41/573429441.db2.gz MLFIHEAQBKPZBW-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO CN1CCC(NC2=[NH+]CCCC2)CC1 86454576 573429487 /nfs/dbraw/zinc/42/94/87/573429487.db2.gz ONQZRGRMMJGFLI-UHFFFAOYSA-N 1 3 195.310 1.253 10 0 ADAEHO CC[C@H]1N(C)CC[C@]12CC[NH2+]C2 107223895 573429531 /nfs/dbraw/zinc/42/95/31/573429531.db2.gz QFFUDTSIWOHLLM-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@@]2(CCC[NH2+]C2)CN1C 107223639 573429621 /nfs/dbraw/zinc/42/96/21/573429621.db2.gz RAKOWECRHSYOEZ-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@@]2(CCCNC2)C[N@@H+]1C 107223639 573429625 /nfs/dbraw/zinc/42/96/25/573429625.db2.gz RAKOWECRHSYOEZ-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@@]2(CCCNC2)C[N@H+]1C 107223639 573429631 /nfs/dbraw/zinc/42/96/31/573429631.db2.gz RAKOWECRHSYOEZ-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CN(CC[C@@H]([NH3+])C1CC1)CC1CC1 130033330 573429654 /nfs/dbraw/zinc/42/96/54/573429654.db2.gz ASKIUFJOIAAPJM-LLVKDONJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1C1CC1 107223970 573433650 /nfs/dbraw/zinc/43/36/50/573433650.db2.gz ZIJZSKSPZPLBFX-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@@H](CN)CCC[N@H+]1C1CC1 107223970 573433656 /nfs/dbraw/zinc/43/36/56/573433656.db2.gz ZIJZSKSPZPLBFX-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@@H](C[NH3+])CCCN1C1CC1 107223970 573433662 /nfs/dbraw/zinc/43/36/62/573433662.db2.gz ZIJZSKSPZPLBFX-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@H]1[C@H]([NH3+])CCN1C1CC1 107224042 573431533 /nfs/dbraw/zinc/43/15/33/573431533.db2.gz GFLJYYACOWLFJL-ZJUUUORDSA-N 1 3 168.284 1.206 10 0 ADAEHO CC(C)[C@H]1[C@@H]([NH3+])CCN1C1CC1 107224046 573431594 /nfs/dbraw/zinc/43/15/94/573431594.db2.gz GFLJYYACOWLFJL-UWVGGRQHSA-N 1 3 168.284 1.206 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 107223814 573431612 /nfs/dbraw/zinc/43/16/12/573431612.db2.gz IKFFGFQEFLKHSK-VHSXEESVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 107223814 573431615 /nfs/dbraw/zinc/43/16/15/573431615.db2.gz IKFFGFQEFLKHSK-VHSXEESVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1(C)C[C@H](CN)C[N@@H+]1C1CC1 107223620 573431673 /nfs/dbraw/zinc/43/16/73/573431673.db2.gz SCTBJLJUVKTVLB-MRVPVSSYSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[C@H](CN)C[N@H+]1C1CC1 107223620 573431677 /nfs/dbraw/zinc/43/16/77/573431677.db2.gz SCTBJLJUVKTVLB-MRVPVSSYSA-N 1 3 168.284 1.208 10 0 ADAEHO N[C@H](CC[NH2+]CC1CC1)C1CC1 130040103 573431730 /nfs/dbraw/zinc/43/17/30/573431730.db2.gz IYFOZYSYFXUKBY-SNVBAGLBSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H]1N(C)CC[C@]12CCC[NH2+]C2 107223653 573431753 /nfs/dbraw/zinc/43/17/53/573431753.db2.gz GCDRPUICOVOBPX-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[N@H+](C)CC[C@]12CCCNC2 107223653 573431758 /nfs/dbraw/zinc/43/17/58/573431758.db2.gz GCDRPUICOVOBPX-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[N@@H+](C)CC[C@]12CCCNC2 107223653 573431766 /nfs/dbraw/zinc/43/17/66/573431766.db2.gz GCDRPUICOVOBPX-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]([NH3+])c1ccc2c(c1)[C@@H](N)CO2 238394635 573431867 /nfs/dbraw/zinc/43/18/67/573431867.db2.gz SIEXPQNSSHXHQG-MUWHJKNJSA-N 1 3 178.235 1.099 10 0 ADAEHO C[NH2+][C@H]1CCCN(C2CC2)CC1 107224025 573431977 /nfs/dbraw/zinc/43/19/77/573431977.db2.gz NGWDVSKRQVIQBV-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC[C@@H](C)[NH2+]CC[C@@H](N)C1CC1 130037363 573432119 /nfs/dbraw/zinc/43/21/19/573432119.db2.gz SZSYJDCHYXFTMT-PSASIEDQSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@@H]1[C@H](CN)CCC[N@@H+]1C 107224773 573432141 /nfs/dbraw/zinc/43/21/41/573432141.db2.gz UOLJMCIIRKCLGL-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]1[C@H](CN)CCC[N@H+]1C 107224773 573432144 /nfs/dbraw/zinc/43/21/44/573432144.db2.gz UOLJMCIIRKCLGL-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H]1[C@H](CN)CC[N@@H+]1C1CC1 107223944 573432353 /nfs/dbraw/zinc/43/23/53/573432353.db2.gz AWTHGTDHLAPXHY-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1[C@H](CN)CC[N@H+]1C1CC1 107223944 573432358 /nfs/dbraw/zinc/43/23/58/573432358.db2.gz AWTHGTDHLAPXHY-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@@H]1[C@H]([NH3+])CCN1C1CC1 107224039 573433731 /nfs/dbraw/zinc/43/37/31/573433731.db2.gz GFLJYYACOWLFJL-NXEZZACHSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1(C)C[C@@H](CN)C[N@@H+]1C1CC1 107223624 573432562 /nfs/dbraw/zinc/43/25/62/573432562.db2.gz SCTBJLJUVKTVLB-QMMMGPOBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[C@@H](CN)C[N@H+]1C1CC1 107223624 573432565 /nfs/dbraw/zinc/43/25/65/573432565.db2.gz SCTBJLJUVKTVLB-QMMMGPOBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(C)[NH2+]CC[C@@H](N)C1CC1 130035843 573432622 /nfs/dbraw/zinc/43/26/22/573432622.db2.gz LYXNNGVLDFENJS-SECBINFHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1[C@H](CN)CC[N@@H+]1C1CC1 107223943 573432631 /nfs/dbraw/zinc/43/26/31/573432631.db2.gz AWTHGTDHLAPXHY-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1[C@H](CN)CC[N@H+]1C1CC1 107223943 573432637 /nfs/dbraw/zinc/43/26/37/573432637.db2.gz AWTHGTDHLAPXHY-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@]2(CCC[NH2+]C2)CN1C 107223644 573432657 /nfs/dbraw/zinc/43/26/57/573432657.db2.gz RAKOWECRHSYOEZ-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@]2(CCCNC2)C[N@@H+]1C 107223644 573432664 /nfs/dbraw/zinc/43/26/64/573432664.db2.gz RAKOWECRHSYOEZ-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@]2(CCCNC2)C[N@H+]1C 107223644 573432667 /nfs/dbraw/zinc/43/26/67/573432667.db2.gz RAKOWECRHSYOEZ-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)(C)[NH2+]CC[C@H](N)C1CC1 130035653 573432802 /nfs/dbraw/zinc/43/28/02/573432802.db2.gz LYXNNGVLDFENJS-VIFPVBQESA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]1N(C)CC[C@@]12CCC[NH2+]C2 107223666 573432804 /nfs/dbraw/zinc/43/28/04/573432804.db2.gz GCDRPUICOVOBPX-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1[N@H+](C)CC[C@@]12CCCNC2 107223666 573432809 /nfs/dbraw/zinc/43/28/09/573432809.db2.gz GCDRPUICOVOBPX-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1[N@@H+](C)CC[C@@]12CCCNC2 107223666 573432813 /nfs/dbraw/zinc/43/28/13/573432813.db2.gz GCDRPUICOVOBPX-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1[C@H](CN)CCC[N@@H+]1C1CC1 107223963 573432963 /nfs/dbraw/zinc/43/29/63/573432963.db2.gz ZIJZSKSPZPLBFX-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@H](CN)CCC[N@H+]1C1CC1 107223963 573432971 /nfs/dbraw/zinc/43/29/71/573432971.db2.gz ZIJZSKSPZPLBFX-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@H](C[NH3+])CCCN1C1CC1 107223963 573432976 /nfs/dbraw/zinc/43/29/76/573432976.db2.gz ZIJZSKSPZPLBFX-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1N(C)CCC[C@]12CC[NH2+]C2 107223916 573433019 /nfs/dbraw/zinc/43/30/19/573433019.db2.gz QSKYBSRIIIGXHA-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)[NH2+]CC[C@@H](N)C1CC1 130036274 573434082 /nfs/dbraw/zinc/43/40/82/573434082.db2.gz ACFIXVWETHQZTL-SECBINFHSA-N 1 3 156.273 1.112 10 0 ADAEHO C[NH2+][C@@H]1CCCN(C2CC2)CC1 107224023 573433133 /nfs/dbraw/zinc/43/31/33/573433133.db2.gz NGWDVSKRQVIQBV-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC(C)[NH2+]CC[C@H](N)C1CC1 130036055 573433222 /nfs/dbraw/zinc/43/32/22/573433222.db2.gz ACFIXVWETHQZTL-VIFPVBQESA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]1C[C@]2(CCC[NH2+]C2)CN1C 107223648 573433276 /nfs/dbraw/zinc/43/32/76/573433276.db2.gz RAKOWECRHSYOEZ-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@]2(CCCNC2)C[N@@H+]1C 107223648 573433279 /nfs/dbraw/zinc/43/32/79/573433279.db2.gz RAKOWECRHSYOEZ-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@]2(CCCNC2)C[N@H+]1C 107223648 573433285 /nfs/dbraw/zinc/43/32/85/573433285.db2.gz RAKOWECRHSYOEZ-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@]2(CCC[NH2+]C2)CN1C 107223637 573433320 /nfs/dbraw/zinc/43/33/20/573433320.db2.gz RAKOWECRHSYOEZ-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@]2(CCCNC2)C[N@@H+]1C 107223637 573433326 /nfs/dbraw/zinc/43/33/26/573433326.db2.gz RAKOWECRHSYOEZ-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@]2(CCCNC2)C[N@H+]1C 107223637 573433329 /nfs/dbraw/zinc/43/33/29/573433329.db2.gz RAKOWECRHSYOEZ-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO N[C@H](CC[NH2+]C1CCCC1)C1CC1 130038863 573433560 /nfs/dbraw/zinc/43/35/60/573433560.db2.gz HOIFSILUDKATLQ-LLVKDONJSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@H]1[C@@H](CN)CC[N@@H+]1C(C)C 107224769 573433789 /nfs/dbraw/zinc/43/37/89/573433789.db2.gz ZNAZWOMNNDMHKP-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H]1[C@@H](CN)CC[N@H+]1C(C)C 107224769 573433796 /nfs/dbraw/zinc/43/37/96/573433796.db2.gz ZNAZWOMNNDMHKP-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CNCC1(C[NH2+]C2CCCC2)CCC1 258649192 573433862 /nfs/dbraw/zinc/43/38/62/573433862.db2.gz MMKDZVVMUVKTPX-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[C@H]1[C@@H](CN)CC[N@@H+]1C1CC1 107223952 573434991 /nfs/dbraw/zinc/43/49/91/573434991.db2.gz AWTHGTDHLAPXHY-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1[C@@H](CN)CC[N@H+]1C1CC1 107223952 573434998 /nfs/dbraw/zinc/43/49/98/573434998.db2.gz AWTHGTDHLAPXHY-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)C[C@H]([C@H](C)CN)[NH+](C)C 259448397 573435097 /nfs/dbraw/zinc/43/50/97/573435097.db2.gz JDJNALYLHWOIIS-NXEZZACHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[C@H]([C@H](C)C[NH3+])N(C)C 259448397 573435104 /nfs/dbraw/zinc/43/51/04/573435104.db2.gz JDJNALYLHWOIIS-NXEZZACHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[C@@H]([C@@H](C)CN)[NH+](C)C 259448398 573435369 /nfs/dbraw/zinc/43/53/69/573435369.db2.gz JDJNALYLHWOIIS-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[C@@H]([C@@H](C)C[NH3+])N(C)C 259448398 573435371 /nfs/dbraw/zinc/43/53/71/573435371.db2.gz JDJNALYLHWOIIS-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@@H]1[C@@H]2CCC[NH2+][C@@H]2CN1C1CC1 107227990 573435613 /nfs/dbraw/zinc/43/56/13/573435613.db2.gz LWEOTZTTZXXRGE-DVVUODLYSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1C[C@@]2(CCC[NH2+]C2)CN1C1CC1 107235726 573436167 /nfs/dbraw/zinc/43/61/67/573436167.db2.gz SJJMTASWYSEJAV-ZYHUDNBSSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CN1C1CC1 107235872 573435647 /nfs/dbraw/zinc/43/56/47/573435647.db2.gz LIEFQBAVPAZIDX-MVWJERBFSA-N 1 3 194.322 1.611 10 0 ADAEHO Nc1nc(-c2cccc(C[NH3+])c2)c[nH]1 257812614 573435659 /nfs/dbraw/zinc/43/56/59/573435659.db2.gz BWAXEUWQPBOYQC-UHFFFAOYSA-N 1 3 188.234 1.118 10 0 ADAEHO CC(C)C[C@H]([C@@H](C)CN)[NH+](C)C 259448403 573435694 /nfs/dbraw/zinc/43/56/94/573435694.db2.gz JDJNALYLHWOIIS-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[C@H]([C@@H](C)C[NH3+])N(C)C 259448403 573435698 /nfs/dbraw/zinc/43/56/98/573435698.db2.gz JDJNALYLHWOIIS-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@@H]1C[C@@]2(CCCNC2)C[N@@H+]1C1CC1 107235726 573436172 /nfs/dbraw/zinc/43/61/72/573436172.db2.gz SJJMTASWYSEJAV-ZYHUDNBSSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H]1[N@H+](C)CC[C@@]12CCCNC2 107229677 573435778 /nfs/dbraw/zinc/43/57/78/573435778.db2.gz XKJGUXZXXRHIDW-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1[N@@H+](C)CC[C@@]12CCCNC2 107229677 573435783 /nfs/dbraw/zinc/43/57/83/573435783.db2.gz XKJGUXZXXRHIDW-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1N(C)CC[C@@]12CCC[NH2+]C2 107229677 573435787 /nfs/dbraw/zinc/43/57/87/573435787.db2.gz XKJGUXZXXRHIDW-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@@]2(CCCNC2)C[N@H+]1C1CC1 107235726 573436176 /nfs/dbraw/zinc/43/61/76/573436176.db2.gz SJJMTASWYSEJAV-ZYHUDNBSSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1[C@@H]2CCNC[C@@H]2C[N@@H+]1C1CC1 107227927 573436035 /nfs/dbraw/zinc/43/60/35/573436035.db2.gz WTYZIUXRIYEIDS-KKZNHRDASA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1[C@@H]2CCNC[C@@H]2C[N@H+]1C1CC1 107227927 573436037 /nfs/dbraw/zinc/43/60/37/573436037.db2.gz WTYZIUXRIYEIDS-KKZNHRDASA-N 1 3 180.295 1.079 10 0 ADAEHO CC[C@H](C[C@@H]1CCC[NH2+]1)N(C)C 259448430 573436045 /nfs/dbraw/zinc/43/60/45/573436045.db2.gz JDMQQXDGHRDDEK-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)C[C@@H]([C@H](C)CN)[NH+](C)C 259448406 573436099 /nfs/dbraw/zinc/43/60/99/573436099.db2.gz JDJNALYLHWOIIS-ZJUUUORDSA-N 1 3 172.316 1.558 10 0 ADAEHO CC(C)C[C@@H]([C@H](C)C[NH3+])N(C)C 259448406 573436103 /nfs/dbraw/zinc/43/61/03/573436103.db2.gz JDJNALYLHWOIIS-ZJUUUORDSA-N 1 3 172.316 1.558 10 0 ADAEHO CC[C@H]1N(C)CCC[C@@]12CCC[NH2+]C2 107237437 573436666 /nfs/dbraw/zinc/43/66/66/573436666.db2.gz FYXWZPLJAQDDHI-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C[C@H]1CCC[NH2+]1)N(C)C 259448431 573436669 /nfs/dbraw/zinc/43/66/69/573436669.db2.gz JDMQQXDGHRDDEK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H]1[N@H+](C)CCC[C@@]12CCCNC2 107237437 573436674 /nfs/dbraw/zinc/43/66/74/573436674.db2.gz FYXWZPLJAQDDHI-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1[N@@H+](C)CCC[C@@]12CCCNC2 107237437 573436681 /nfs/dbraw/zinc/43/66/81/573436681.db2.gz FYXWZPLJAQDDHI-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1N(C)CCC[C@]12CCC[NH2+]C2 107237432 573437397 /nfs/dbraw/zinc/43/73/97/573437397.db2.gz FYXWZPLJAQDDHI-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1[N@H+](C)CCC[C@]12CCCNC2 107237432 573437403 /nfs/dbraw/zinc/43/74/03/573437403.db2.gz FYXWZPLJAQDDHI-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1[N@@H+](C)CCC[C@]12CCCNC2 107237432 573437405 /nfs/dbraw/zinc/43/74/05/573437405.db2.gz FYXWZPLJAQDDHI-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCCN(C)C[C@H]1C[NH2+]C[C@@H](C)C1 308582085 573437429 /nfs/dbraw/zinc/43/74/29/573437429.db2.gz PUAZMAJTPMDOQH-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@H+](C)C[C@H]1CNC[C@@H](C)C1 308582085 573437442 /nfs/dbraw/zinc/43/74/42/573437442.db2.gz PUAZMAJTPMDOQH-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@@H+](C)C[C@H]1CNC[C@@H](C)C1 308582085 573437445 /nfs/dbraw/zinc/43/74/45/573437445.db2.gz PUAZMAJTPMDOQH-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1CNC(C)(C)C[C@@H](C)[NH2+]1 238395258 573437493 /nfs/dbraw/zinc/43/74/93/573437493.db2.gz FMOQQWIPJBEVPI-HTQZYQBOSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1C[C@@]2(CCCNC2)C(C)(C)[N@H+]1C 107237410 573438465 /nfs/dbraw/zinc/43/84/65/573438465.db2.gz YWRGGXPSJJBILU-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCCN[C@H]2[C@@H]1C 107229947 573437695 /nfs/dbraw/zinc/43/76/95/573437695.db2.gz HNCLMLWZPMIYCI-DCAQKATOSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCCN[C@H]2[C@@H]1C 107229947 573437699 /nfs/dbraw/zinc/43/76/99/573437699.db2.gz HNCLMLWZPMIYCI-DCAQKATOSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1C[C@]2(CCCNC2)C[N@H+]1C1CC1 107235742 573438560 /nfs/dbraw/zinc/43/85/60/573438560.db2.gz SJJMTASWYSEJAV-JQWIXIFHSA-N 1 3 194.322 1.613 10 0 ADAEHO CC(C)[C@@H]1[N@H+](C)CC[C@]12CCCNC2 107237424 573437877 /nfs/dbraw/zinc/43/78/77/573437877.db2.gz LZSAXDQEDUYMTR-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@@H]1[N@@H+](C)CC[C@]12CCCNC2 107237424 573437885 /nfs/dbraw/zinc/43/78/85/573437885.db2.gz LZSAXDQEDUYMTR-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CCN1C 107229762 573437937 /nfs/dbraw/zinc/43/79/37/573437937.db2.gz MSVZLCWABJJMPN-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@]2(CCCNC2)C(C)(C)[N@@H+]1C 107237417 573438091 /nfs/dbraw/zinc/43/80/91/573438091.db2.gz YWRGGXPSJJBILU-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@]2(CCCNC2)C(C)(C)[N@H+]1C 107237417 573438093 /nfs/dbraw/zinc/43/80/93/573438093.db2.gz YWRGGXPSJJBILU-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1[N@H+](C)CC[C@]12CCCNC2 107229668 573438210 /nfs/dbraw/zinc/43/82/10/573438210.db2.gz XKJGUXZXXRHIDW-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1[N@@H+](C)CC[C@]12CCCNC2 107229668 573438214 /nfs/dbraw/zinc/43/82/14/573438214.db2.gz XKJGUXZXXRHIDW-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1N(C)CC[C@]12CCC[NH2+]C2 107229668 573438218 /nfs/dbraw/zinc/43/82/18/573438218.db2.gz XKJGUXZXXRHIDW-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@@]2(CCCNC2)C(C)(C)[N@@H+]1C 107237410 573438463 /nfs/dbraw/zinc/43/84/63/573438463.db2.gz YWRGGXPSJJBILU-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@]2(CCC[NH2+]C2)CN1C1CC1 107235742 573438535 /nfs/dbraw/zinc/43/85/35/573438535.db2.gz SJJMTASWYSEJAV-JQWIXIFHSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1C[C@]2(CCCNC2)C[N@@H+]1C1CC1 107235742 573438543 /nfs/dbraw/zinc/43/85/43/573438543.db2.gz SJJMTASWYSEJAV-JQWIXIFHSA-N 1 3 194.322 1.613 10 0 ADAEHO [NH3+]Cc1ccccc1CCN1CCC1 257812590 573438545 /nfs/dbraw/zinc/43/85/45/573438545.db2.gz BVGCHRWWUHNOJJ-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO CC(C)(C)[NH+]1CC([C@H](F)CN)C1 257813117 573438602 /nfs/dbraw/zinc/43/86/02/573438602.db2.gz BXLBOTQWIVMMSJ-MRVPVSSYSA-N 1 3 174.263 1.014 10 0 ADAEHO CC[C@H]1[N@H+](C)CC[C@@]12CCCNC2 107229674 573438764 /nfs/dbraw/zinc/43/87/64/573438764.db2.gz XKJGUXZXXRHIDW-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1[N@@H+](C)CC[C@@]12CCCNC2 107229674 573438769 /nfs/dbraw/zinc/43/87/69/573438769.db2.gz XKJGUXZXXRHIDW-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(C2CC2)C1(C)C 259448773 573438774 /nfs/dbraw/zinc/43/87/74/573438774.db2.gz PASNUCRFLXMWFI-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1N(C)CC[C@@]12CCC[NH2+]C2 107229674 573438775 /nfs/dbraw/zinc/43/87/75/573438775.db2.gz XKJGUXZXXRHIDW-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C2CC2)C1(C)C 259448773 573438776 /nfs/dbraw/zinc/43/87/76/573438776.db2.gz PASNUCRFLXMWFI-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C2CC2)C1(C)C 259448773 573438782 /nfs/dbraw/zinc/43/87/82/573438782.db2.gz PASNUCRFLXMWFI-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO CCCCN(C)C[C@@H]1C[NH2+]C[C@@H](C)C1 308582086 573438794 /nfs/dbraw/zinc/43/87/94/573438794.db2.gz PUAZMAJTPMDOQH-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@H+](C)C[C@@H]1CNC[C@@H](C)C1 308582086 573438802 /nfs/dbraw/zinc/43/88/02/573438802.db2.gz PUAZMAJTPMDOQH-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H]1CNC[C@@H](C)C1 308582086 573438804 /nfs/dbraw/zinc/43/88/04/573438804.db2.gz PUAZMAJTPMDOQH-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1[C@H]2CCNC[C@@H]2C[N@@H+]1C1CC1 107227932 573438813 /nfs/dbraw/zinc/43/88/13/573438813.db2.gz WTYZIUXRIYEIDS-FXPVBKGRSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1[C@H]2CCNC[C@@H]2C[N@H+]1C1CC1 107227932 573438819 /nfs/dbraw/zinc/43/88/19/573438819.db2.gz WTYZIUXRIYEIDS-FXPVBKGRSA-N 1 3 180.295 1.079 10 0 ADAEHO CCCC[NH2+]CC[C@H](N)C1CC1 130040824 573438907 /nfs/dbraw/zinc/43/89/07/573438907.db2.gz JJWCGZQVZSUSJD-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)(C)[NH+]1CC([C@@H](F)CN)C1 257813118 573439008 /nfs/dbraw/zinc/43/90/08/573439008.db2.gz BXLBOTQWIVMMSJ-QMMMGPOBSA-N 1 3 174.263 1.014 10 0 ADAEHO CC(C)[C@@H]1[C@H]2CNCC[C@@H]2C[N@@H+]1C 107229757 573439073 /nfs/dbraw/zinc/43/90/73/573439073.db2.gz XJJMSTMMQUGKLZ-OUAUKWLOSA-N 1 3 182.311 1.182 10 0 ADAEHO CC(C)[C@@H]1[C@H]2CNCC[C@@H]2C[N@H+]1C 107229757 573439078 /nfs/dbraw/zinc/43/90/78/573439078.db2.gz XJJMSTMMQUGKLZ-OUAUKWLOSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1[C@H]2CCNC[C@@H]2C(C)(C)[N@@H+]1C 107229743 573439274 /nfs/dbraw/zinc/43/92/74/573439274.db2.gz ILNCCAAIZLRYKB-BBBLOLIVSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1[C@H]2CCNC[C@@H]2C(C)(C)[N@H+]1C 107229743 573439280 /nfs/dbraw/zinc/43/92/80/573439280.db2.gz ILNCCAAIZLRYKB-BBBLOLIVSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1N(C)CCC[C@]12CCC[NH2+]C2 107229686 573439336 /nfs/dbraw/zinc/43/93/36/573439336.db2.gz APLDRJQVFHRZKS-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1[N@H+](C)CCC[C@]12CCCNC2 107229686 573439342 /nfs/dbraw/zinc/43/93/42/573439342.db2.gz APLDRJQVFHRZKS-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1[N@@H+](C)CCC[C@]12CCCNC2 107229686 573439350 /nfs/dbraw/zinc/43/93/50/573439350.db2.gz APLDRJQVFHRZKS-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[C@@H]1[N@H+](C)CC[C@@]12CCCNC2 107237430 573439405 /nfs/dbraw/zinc/43/94/05/573439405.db2.gz LZSAXDQEDUYMTR-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@@H]1[N@@H+](C)CC[C@@]12CCCNC2 107237430 573439411 /nfs/dbraw/zinc/43/94/11/573439411.db2.gz LZSAXDQEDUYMTR-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[N@@H+]1CC[C@@]2(CCCNC2)C1(C)C 107229712 573439445 /nfs/dbraw/zinc/43/94/45/573439445.db2.gz JTNBYAFSLBQMBJ-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@H+]1CC[C@@]2(CCCNC2)C1(C)C 107229712 573439448 /nfs/dbraw/zinc/43/94/48/573439448.db2.gz JTNBYAFSLBQMBJ-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CN1CC[C@@]2(CCC[NH2+]C2)C1(C)C 107229712 573439454 /nfs/dbraw/zinc/43/94/54/573439454.db2.gz JTNBYAFSLBQMBJ-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1[C@@H]2CNCC[C@@H]2C[N@@H+]1C1CC1 107235786 573439718 /nfs/dbraw/zinc/43/97/18/573439718.db2.gz TVKYBHFWJPVOFH-YUSALJHKSA-N 1 3 194.322 1.469 10 0 ADAEHO CC[C@@H]1[C@@H]2CNCC[C@@H]2C[N@H+]1C1CC1 107235786 573439723 /nfs/dbraw/zinc/43/97/23/573439723.db2.gz TVKYBHFWJPVOFH-YUSALJHKSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1[C@H]2CCC[NH2+][C@@H]2CN1C1CC1 107227995 573439764 /nfs/dbraw/zinc/43/97/64/573439764.db2.gz LWEOTZTTZXXRGE-FBIMIBRVSA-N 1 3 180.295 1.221 10 0 ADAEHO CC[C@@H]1[C@H]2CNCC[C@@H]2C[N@H+]1C1CC1 107235795 573440208 /nfs/dbraw/zinc/44/02/08/573440208.db2.gz TVKYBHFWJPVOFH-ADEWGFFLSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1[C@@H]2CCNC[C@@H]2C(C)(C)[N@@H+]1C 107229738 573439966 /nfs/dbraw/zinc/43/99/66/573439966.db2.gz ILNCCAAIZLRYKB-UTLUCORTSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1[C@@H]2CCNC[C@@H]2C(C)(C)[N@H+]1C 107229738 573439971 /nfs/dbraw/zinc/43/99/71/573439971.db2.gz ILNCCAAIZLRYKB-UTLUCORTSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1N(C)CCC[C@]12CCC[NH2+]C2 107229681 573440087 /nfs/dbraw/zinc/44/00/87/573440087.db2.gz APLDRJQVFHRZKS-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1[N@H+](C)CCC[C@]12CCCNC2 107229681 573440092 /nfs/dbraw/zinc/44/00/92/573440092.db2.gz APLDRJQVFHRZKS-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1[N@@H+](C)CCC[C@]12CCCNC2 107229681 573440099 /nfs/dbraw/zinc/44/00/99/573440099.db2.gz APLDRJQVFHRZKS-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCCCN(C)C[C@@H]1C[NH2+]C[C@H](C)C1 308582084 573440180 /nfs/dbraw/zinc/44/01/80/573440180.db2.gz PUAZMAJTPMDOQH-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@H+](C)C[C@@H]1CNC[C@H](C)C1 308582084 573440186 /nfs/dbraw/zinc/44/01/86/573440186.db2.gz PUAZMAJTPMDOQH-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H]1CNC[C@H](C)C1 308582084 573440190 /nfs/dbraw/zinc/44/01/90/573440190.db2.gz PUAZMAJTPMDOQH-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H]1[C@H]2CNCC[C@@H]2C[N@@H+]1C1CC1 107235795 573440201 /nfs/dbraw/zinc/44/02/01/573440201.db2.gz TVKYBHFWJPVOFH-ADEWGFFLSA-N 1 3 194.322 1.469 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2NCCC[C@H]2C[N@@H+]1C 107229898 573441613 /nfs/dbraw/zinc/44/16/13/573441613.db2.gz RPZYTJWJAZOYHJ-HBNTYKKESA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCCN[C@@H]2[C@@H]1C 107229942 573440905 /nfs/dbraw/zinc/44/09/05/573440905.db2.gz HNCLMLWZPMIYCI-GARJFASQSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCCN[C@@H]2[C@@H]1C 107229942 573440908 /nfs/dbraw/zinc/44/09/08/573440908.db2.gz HNCLMLWZPMIYCI-GARJFASQSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCCN[C@@H]2[C@H]1C 107229939 573441103 /nfs/dbraw/zinc/44/11/03/573441103.db2.gz HNCLMLWZPMIYCI-OUAUKWLOSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCCN[C@@H]2[C@H]1C 107229939 573441109 /nfs/dbraw/zinc/44/11/09/573441109.db2.gz HNCLMLWZPMIYCI-OUAUKWLOSA-N 1 3 182.311 1.467 10 0 ADAEHO C[N@@H+]1CC[C@]2(CCCNC2)C1(C)C 107229709 573441163 /nfs/dbraw/zinc/44/11/63/573441163.db2.gz JTNBYAFSLBQMBJ-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@H+]1CC[C@]2(CCCNC2)C1(C)C 107229709 573441167 /nfs/dbraw/zinc/44/11/67/573441167.db2.gz JTNBYAFSLBQMBJ-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CN1CC[C@]2(CCC[NH2+]C2)C1(C)C 107229709 573441172 /nfs/dbraw/zinc/44/11/72/573441172.db2.gz JTNBYAFSLBQMBJ-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CCN1C 107229771 573441284 /nfs/dbraw/zinc/44/12/84/573441284.db2.gz MSVZLCWABJJMPN-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1N(C)CCC[C@@]12CCC[NH2+]C2 107229691 573441511 /nfs/dbraw/zinc/44/15/11/573441511.db2.gz APLDRJQVFHRZKS-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1[N@H+](C)CCC[C@@]12CCCNC2 107229691 573441513 /nfs/dbraw/zinc/44/15/13/573441513.db2.gz APLDRJQVFHRZKS-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1[N@@H+](C)CCC[C@@]12CCCNC2 107229691 573441517 /nfs/dbraw/zinc/44/15/17/573441517.db2.gz APLDRJQVFHRZKS-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2NCCC[C@H]2C[N@H+]1C 107229898 573441621 /nfs/dbraw/zinc/44/16/21/573441621.db2.gz RPZYTJWJAZOYHJ-HBNTYKKESA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2CNCC[C@@H]2C[N@@H+]1C 107229749 573442394 /nfs/dbraw/zinc/44/23/94/573442394.db2.gz XJJMSTMMQUGKLZ-GMTAPVOTSA-N 1 3 182.311 1.182 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2CNCC[C@@H]2C[N@H+]1C 107229749 573442399 /nfs/dbraw/zinc/44/23/99/573442399.db2.gz XJJMSTMMQUGKLZ-GMTAPVOTSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[C@]2(CCCNC2)C(C)(C)[N@@H+]1C 107237414 573442420 /nfs/dbraw/zinc/44/24/20/573442420.db2.gz YWRGGXPSJJBILU-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@]2(CCCNC2)C(C)(C)[N@H+]1C 107237414 573442423 /nfs/dbraw/zinc/44/24/23/573442423.db2.gz YWRGGXPSJJBILU-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+]1CCC(C)(C)[C@@H](CN)C1 259103149 573442894 /nfs/dbraw/zinc/44/28/94/573442894.db2.gz APPJHLMDXNNJJJ-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[N@H+]1CCC(C)(C)[C@@H](CN)C1 259103149 573442900 /nfs/dbraw/zinc/44/29/00/573442900.db2.gz APPJHLMDXNNJJJ-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC(C)(C)C1CCC1 258654379 573443865 /nfs/dbraw/zinc/44/38/65/573443865.db2.gz AZHHGZNVRRAHKB-JTQLQIEISA-N 1 3 198.354 1.997 10 0 ADAEHO CNCC[C@H](C1CCCC1)[NH+](C)C 259450525 573444700 /nfs/dbraw/zinc/44/47/00/573444700.db2.gz JFKMBRRWPDKJHY-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H]1[C@@H]2NCCC[C@H]2C[N@@H+]1C(C)C 107237580 573444032 /nfs/dbraw/zinc/44/40/32/573444032.db2.gz XRNGGIDXTGFEEG-QJPTWQEYSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1[C@@H]2NCCC[C@H]2C[N@H+]1C(C)C 107237580 573444038 /nfs/dbraw/zinc/44/40/38/573444038.db2.gz XRNGGIDXTGFEEG-QJPTWQEYSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+]CC[C@H](C1CCCC1)N(C)C 259450525 573444705 /nfs/dbraw/zinc/44/47/05/573444705.db2.gz JFKMBRRWPDKJHY-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[N@@H+]1C[C@]2(CCCNC2)C[C@@H]1C 107237446 573444165 /nfs/dbraw/zinc/44/41/65/573444165.db2.gz HLXIAVLPEGZJPH-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1C[C@]2(CCCNC2)C[C@@H]1C 107237446 573444171 /nfs/dbraw/zinc/44/41/71/573444171.db2.gz HLXIAVLPEGZJPH-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH2+]C)C1CCCC1 259103198 573444283 /nfs/dbraw/zinc/44/42/83/573444283.db2.gz FETQNZGPFOSHET-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH2+]C)C1CCCC1 259103187 573444452 /nfs/dbraw/zinc/44/44/52/573444452.db2.gz FETQNZGPFOSHET-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]([NH3+])C[C@H](N)C(C)(C)C 259103246 573444565 /nfs/dbraw/zinc/44/45/65/573444565.db2.gz BDEXHARGJLXGJP-BQBZGAKWSA-N 1 3 144.262 1.097 10 0 ADAEHO CC[C@H](CN)[C@H]([NH2+]C)C1CCCC1 259103192 573444654 /nfs/dbraw/zinc/44/46/54/573444654.db2.gz FETQNZGPFOSHET-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1[C@H]2NCCC[C@H]2C[N@@H+]1C(C)C 107237573 573444820 /nfs/dbraw/zinc/44/48/20/573444820.db2.gz XRNGGIDXTGFEEG-TUAOUCFPSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1[C@H]2NCCC[C@H]2C[N@H+]1C(C)C 107237573 573444825 /nfs/dbraw/zinc/44/48/25/573444825.db2.gz XRNGGIDXTGFEEG-TUAOUCFPSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[C@@H]1[C@@H]2CNCC[C@@H]2C[N@@H+]1C(C)C 107237500 573447295 /nfs/dbraw/zinc/44/72/95/573447295.db2.gz SIYHUJBWEZBFPG-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H]1[C@@H]2CNCC[C@@H]2C[N@H+]1C(C)C 107237500 573447300 /nfs/dbraw/zinc/44/73/00/573447300.db2.gz SIYHUJBWEZBFPG-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2NCCC[C@H]2C[N@@H+]1C 107237585 573447724 /nfs/dbraw/zinc/44/77/24/573447724.db2.gz GCHWYQIAOPTCNE-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2NCCC[C@H]2C[N@H+]1C 107237585 573447732 /nfs/dbraw/zinc/44/77/32/573447732.db2.gz GCHWYQIAOPTCNE-TUAOUCFPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H]1[C@H]2CNCC[C@@H]2C[N@@H+]1C(C)C 107237504 573447760 /nfs/dbraw/zinc/44/77/60/573447760.db2.gz SIYHUJBWEZBFPG-GRYCIOLGSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H]1[C@H]2CNCC[C@@H]2C[N@H+]1C(C)C 107237504 573447765 /nfs/dbraw/zinc/44/77/65/573447765.db2.gz SIYHUJBWEZBFPG-GRYCIOLGSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[N@@H+]1C[C@@]2(CCCNC2)C[C@@H]1C 107237451 573447835 /nfs/dbraw/zinc/44/78/35/573447835.db2.gz HLXIAVLPEGZJPH-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1C[C@@]2(CCCNC2)C[C@@H]1C 107237451 573447840 /nfs/dbraw/zinc/44/78/40/573447840.db2.gz HLXIAVLPEGZJPH-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1C[C@]2(CCCNC2)C[C@H]1C 107237442 573447939 /nfs/dbraw/zinc/44/79/39/573447939.db2.gz HLXIAVLPEGZJPH-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1C[C@]2(CCCNC2)C[C@H]1C 107237442 573447944 /nfs/dbraw/zinc/44/79/44/573447944.db2.gz HLXIAVLPEGZJPH-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+]1CCC(C)(C)[C@H](CN)C1 259103154 573447965 /nfs/dbraw/zinc/44/79/65/573447965.db2.gz APPJHLMDXNNJJJ-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO Cn1c(C[NH2+]C2CCCC2)cnc1N 258352062 573447969 /nfs/dbraw/zinc/44/79/69/573447969.db2.gz YOPUPWONTPXEJI-UHFFFAOYSA-N 1 3 194.282 1.035 10 0 ADAEHO CCC[N@H+]1CCC(C)(C)[C@H](CN)C1 259103154 573447972 /nfs/dbraw/zinc/44/79/72/573447972.db2.gz APPJHLMDXNNJJJ-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CCN1CCCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258350324 573448068 /nfs/dbraw/zinc/44/80/68/573448068.db2.gz YLVJWUDIKUXSLJ-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H](N)C(C)C 259449714 573448231 /nfs/dbraw/zinc/44/82/31/573448231.db2.gz OATPWDLPZRIBHZ-ZJUUUORDSA-N 1 3 172.316 1.461 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]([NH3+])C(C)C 259449714 573448238 /nfs/dbraw/zinc/44/82/38/573448238.db2.gz OATPWDLPZRIBHZ-ZJUUUORDSA-N 1 3 172.316 1.461 10 0 ADAEHO CCN1CCCC[C@@H]1[C@@H]1C[NH2+][C@@H](C)C1 258350327 573448359 /nfs/dbraw/zinc/44/83/59/573448359.db2.gz YLVJWUDIKUXSLJ-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@H]1[C@@H](C[NH3+])C2CCN1CC2 258037741 573448639 /nfs/dbraw/zinc/44/86/39/573448639.db2.gz JBQRLVCBFUSPOH-RYUDHWBXSA-N 1 3 196.338 1.702 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]([NH3+])C(C)C 259449711 573448734 /nfs/dbraw/zinc/44/87/34/573448734.db2.gz OATPWDLPZRIBHZ-VHSXEESVSA-N 1 3 172.316 1.461 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H](N)C(C)C 259449711 573448728 /nfs/dbraw/zinc/44/87/28/573448728.db2.gz OATPWDLPZRIBHZ-VHSXEESVSA-N 1 3 172.316 1.461 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H](N)C(C)C 259449709 573448765 /nfs/dbraw/zinc/44/87/65/573448765.db2.gz OATPWDLPZRIBHZ-UWVGGRQHSA-N 1 3 172.316 1.461 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]([NH3+])C(C)C 259449709 573448770 /nfs/dbraw/zinc/44/87/70/573448770.db2.gz OATPWDLPZRIBHZ-UWVGGRQHSA-N 1 3 172.316 1.461 10 0 ADAEHO C[C@@H]1CCC2(CC[C@@H](C)[NH2+]C2)CN1 238399027 573448831 /nfs/dbraw/zinc/44/88/31/573448831.db2.gz TWAQYCNGJIRYLK-DIOIDXFWSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[N@@H+]1C[C@H](CN)CCC1(C)C 259450195 573449098 /nfs/dbraw/zinc/44/90/98/573449098.db2.gz PDTOWOWCZBAYNL-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+]1C[C@H](CN)CCC1(C)C 259450195 573449101 /nfs/dbraw/zinc/44/91/01/573449101.db2.gz PDTOWOWCZBAYNL-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CNC(=[NH2+])C(C)(C)C)CN(C)C 308588878 573449300 /nfs/dbraw/zinc/44/93/00/573449300.db2.gz UGFKSRFCPNJUBB-VIFPVBQESA-N 1 3 199.342 1.797 10 0 ADAEHO CN(C)[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 107258346 573451665 /nfs/dbraw/zinc/45/16/65/573451665.db2.gz JXDOYCCTVYOFOC-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CCN1CCCC[C@@H]1[C@H]1C[NH2+][C@@H](C)C1 258350326 573449356 /nfs/dbraw/zinc/44/93/56/573449356.db2.gz YLVJWUDIKUXSLJ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH+](C)[C@@H]1CCN[C@@H]2CCCC[C@@H]21 107258346 573451671 /nfs/dbraw/zinc/45/16/71/573451671.db2.gz JXDOYCCTVYOFOC-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[N@@H+]1C[C@@H](CN)CCC1(C)C 259450198 573449778 /nfs/dbraw/zinc/44/97/78/573449778.db2.gz PDTOWOWCZBAYNL-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+]1C[C@@H](CN)CCC1(C)C 259450198 573449785 /nfs/dbraw/zinc/44/97/85/573449785.db2.gz PDTOWOWCZBAYNL-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CNC(=[NH2+])C(C)(C)C)CN(C)C 308588877 573449951 /nfs/dbraw/zinc/44/99/51/573449951.db2.gz UGFKSRFCPNJUBB-SECBINFHSA-N 1 3 199.342 1.797 10 0 ADAEHO CC[C@@]1(C)CNCC[C@H]1[NH+](C)C 142551226 573450127 /nfs/dbraw/zinc/45/01/27/573450127.db2.gz ZOHCCEOISYCJEH-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)C[C@H]1[C@H](C[NH3+])C2CCN1CC2 258037734 573450176 /nfs/dbraw/zinc/45/01/76/573450176.db2.gz JBQRLVCBFUSPOH-NEPJUHHUSA-N 1 3 196.338 1.702 10 0 ADAEHO CCCCN(C)C[C@H](CC)C[NH2+]C 258658436 573451046 /nfs/dbraw/zinc/45/10/46/573451046.db2.gz NJGHCVUQDAFDJD-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCCC[N@H+](C)C[C@H](CC)CNC 258658436 573451053 /nfs/dbraw/zinc/45/10/53/573451053.db2.gz NJGHCVUQDAFDJD-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCCC[N@@H+](C)C[C@H](CC)CNC 258658436 573451057 /nfs/dbraw/zinc/45/10/57/573451057.db2.gz NJGHCVUQDAFDJD-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CC(C)C[C@@H]1[C@@H](C[NH3+])C2CCN1CC2 258037738 573451068 /nfs/dbraw/zinc/45/10/68/573451068.db2.gz JBQRLVCBFUSPOH-NWDGAFQWSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)C[C@@H]1[C@H](C[NH3+])C2CCN1CC2 258037744 573451082 /nfs/dbraw/zinc/45/10/82/573451082.db2.gz JBQRLVCBFUSPOH-VXGBXAGGSA-N 1 3 196.338 1.702 10 0 ADAEHO CCN(CCC(N)=[NH2+])CC1(C)CCC1 308589235 573451287 /nfs/dbraw/zinc/45/12/87/573451287.db2.gz UILPLDWLTXSNST-UHFFFAOYSA-N 1 3 197.326 1.825 10 0 ADAEHO CCCCN(C)C[C@@H](CC)C[NH2+]C 258658438 573453283 /nfs/dbraw/zinc/45/32/83/573453283.db2.gz NJGHCVUQDAFDJD-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CC[C@@]1(C)CNCC[C@@H]1[NH+](C)C 142550852 573451748 /nfs/dbraw/zinc/45/17/48/573451748.db2.gz ZOHCCEOISYCJEH-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](N)c1ccc(F)cc1 259454719 573453287 /nfs/dbraw/zinc/45/32/87/573453287.db2.gz OHZWFTACPQSKCA-KCJUWKMLSA-N 1 3 196.269 1.810 10 0 ADAEHO CCCC[N@H+](C)C[C@@H](CC)CNC 258658438 573453288 /nfs/dbraw/zinc/45/32/88/573453288.db2.gz NJGHCVUQDAFDJD-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCCC[N@@H+](C)C[C@@H](CC)CNC 258658438 573453291 /nfs/dbraw/zinc/45/32/91/573453291.db2.gz NJGHCVUQDAFDJD-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCCC(C)(C)C[NH2+]CCCN 258658597 573452582 /nfs/dbraw/zinc/45/25/82/573452582.db2.gz BLYVIXSVQYQCON-UHFFFAOYSA-N 1 3 172.316 1.751 10 0 ADAEHO CC[C@]1(CN[C@@H]2CC[C@@H]2C)CC[NH2+]C1 308590523 573452926 /nfs/dbraw/zinc/45/29/26/573452926.db2.gz KDYYECXATIKXCT-TUAOUCFPSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]([C@H]1CC[NH2+]C1)N(C)C 259452283 573452946 /nfs/dbraw/zinc/45/29/46/573452946.db2.gz JGPMIZBBDDPYMU-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCCCC[NH2+]CC1(CNC)CC1 258658447 573453155 /nfs/dbraw/zinc/45/31/55/573453155.db2.gz NJJDTFOSLQUSFY-UHFFFAOYSA-N 1 3 184.327 1.766 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](N)c1ccc(F)cc1 259454718 573453156 /nfs/dbraw/zinc/45/31/56/573453156.db2.gz OHZWFTACPQSKCA-GZMMTYOYSA-N 1 3 196.269 1.810 10 0 ADAEHO C[C@H](N)[C@@](C)(F)[C@H]1CCC[N@H+](C)C1 257817694 573455576 /nfs/dbraw/zinc/45/55/76/573455576.db2.gz DWRAEYSOTFHRFR-LPEHRKFASA-N 1 3 188.290 1.404 10 0 ADAEHO NC[C@H](C[NH+]1CCCCC1)C1CC1 258353504 573454065 /nfs/dbraw/zinc/45/40/65/573454065.db2.gz RALVNIMJJAGFFB-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO CCC[C@H]([C@H]1CC[NH2+]C1)N(C)C 259452285 573456331 /nfs/dbraw/zinc/45/63/31/573456331.db2.gz JGPMIZBBDDPYMU-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](N)c1ccc(F)cc1 259454720 573454239 /nfs/dbraw/zinc/45/42/39/573454239.db2.gz OHZWFTACPQSKCA-KWQFWETISA-N 1 3 196.269 1.810 10 0 ADAEHO CC[C@]1(CN[C@H]2CC[C@@H]2C)CC[NH2+]C1 308590514 573454414 /nfs/dbraw/zinc/45/44/14/573454414.db2.gz KDYYECXATIKXCT-SRVKXCTJSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@]1(C)CNCC[C@H]1[NH+](C)C 142551408 573454419 /nfs/dbraw/zinc/45/44/19/573454419.db2.gz ZOHCCEOISYCJEH-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@@H](CN)[C@H](C1CCC1)[NH+](C)C 259454490 573455067 /nfs/dbraw/zinc/45/50/67/573455067.db2.gz JIOSVUQYXWLTOI-WCBMZHEXSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@]1(C)CNCC[C@@H]1[NH+](C)C 142550987 573454877 /nfs/dbraw/zinc/45/48/77/573454877.db2.gz ZOHCCEOISYCJEH-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@H](N)[C@@](C)(F)[C@H]1CCC[N@@H+](C)C1 257817694 573455582 /nfs/dbraw/zinc/45/55/82/573455582.db2.gz DWRAEYSOTFHRFR-LPEHRKFASA-N 1 3 188.290 1.404 10 0 ADAEHO CCC[C@H]([C@@H]1CC[NH2+]C1)N(C)C 259452281 573455623 /nfs/dbraw/zinc/45/56/23/573455623.db2.gz JGPMIZBBDDPYMU-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@H](C[NH2+]C1CC1)C1CCCC1 259454590 573455701 /nfs/dbraw/zinc/45/57/01/573455701.db2.gz PFIDKCQXECVXRU-LLVKDONJSA-N 1 3 182.311 1.517 10 0 ADAEHO N[C@@H](C[C@@H]1CC[NH2+]C1)c1cccs1 259454946 573456767 /nfs/dbraw/zinc/45/67/67/573456767.db2.gz QPUDYDUSUDRLLD-IUCAKERBSA-N 1 3 196.319 1.748 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH2+]CC1(CN)CCCC1 308590511 573455950 /nfs/dbraw/zinc/45/59/50/573455950.db2.gz KDWWIFGCLYZTCH-QWRGUYRKSA-N 1 3 196.338 1.894 10 0 ADAEHO N[C@H](C[C@H]1CC[NH2+]C1)c1cccs1 259454949 573455962 /nfs/dbraw/zinc/45/59/62/573455962.db2.gz QPUDYDUSUDRLLD-RKDXNWHRSA-N 1 3 196.319 1.748 10 0 ADAEHO CN(C)[C@@H](CCC[NH3+])c1ccccn1 259454675 573456025 /nfs/dbraw/zinc/45/60/25/573456025.db2.gz JKGMNTGHBCOVLC-NSHDSACASA-N 1 3 193.294 1.423 10 0 ADAEHO C[N@@H+]1CC[C@@H](c2nc(CN)cs2)C1 107265384 573456238 /nfs/dbraw/zinc/45/62/38/573456238.db2.gz DKHQXYSYICCVEI-SSDOTTSWSA-N 1 3 197.307 1.021 10 0 ADAEHO C[N@H+]1CC[C@@H](c2nc(CN)cs2)C1 107265384 573456244 /nfs/dbraw/zinc/45/62/44/573456244.db2.gz DKHQXYSYICCVEI-SSDOTTSWSA-N 1 3 197.307 1.021 10 0 ADAEHO CN[C@@H](C[NH2+]C1CC1)C1CCCC1 259454593 573456390 /nfs/dbraw/zinc/45/63/90/573456390.db2.gz PFIDKCQXECVXRU-NSHDSACASA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H](CC(C)(C)[NH3+])c1cc[nH]c1 259456141 573456459 /nfs/dbraw/zinc/45/64/59/573456459.db2.gz PHZKIWUDAOGIOY-VIFPVBQESA-N 1 3 181.283 1.403 10 0 ADAEHO C[C@@H]1CN[C@](C)(C[C@H]2CC[N@H+](C)C2)O1 258352842 573458215 /nfs/dbraw/zinc/45/82/15/573458215.db2.gz FVFZPUCSWBRICI-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@](C)(C[C@H]2CC[N@@H+](C)C2)O1 258352842 573458219 /nfs/dbraw/zinc/45/82/19/573458219.db2.gz FVFZPUCSWBRICI-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+]CC1([C@H](N)C(C)(C)C)CCC1 259456250 573457960 /nfs/dbraw/zinc/45/79/60/573457960.db2.gz OMKXERPGJNLCGU-SECBINFHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]([NH3+])CC[C@H](N)c1ccccn1 259458473 573458092 /nfs/dbraw/zinc/45/80/92/573458092.db2.gz QUDKWWHTEROIRP-IUCAKERBSA-N 1 3 179.267 1.209 10 0 ADAEHO C[C@@H]1CN[C@](C)(C[C@@H]2CC[N@H+](C)C2)O1 258352851 573458122 /nfs/dbraw/zinc/45/81/22/573458122.db2.gz FVFZPUCSWBRICI-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@](C)(C[C@@H]2CC[N@@H+](C)C2)O1 258352851 573458129 /nfs/dbraw/zinc/45/81/29/573458129.db2.gz FVFZPUCSWBRICI-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CC[N@H+](C)[C@@H]1[C@@H]1CCCNC1 107264919 573459091 /nfs/dbraw/zinc/45/90/91/573459091.db2.gz IWRHCAFPZJSIBC-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@@H+](C)[C@@H]1[C@@H]1CCCNC1 107264919 573459095 /nfs/dbraw/zinc/45/90/95/573459095.db2.gz IWRHCAFPZJSIBC-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO CNCC1([C@H](CC(C)C)[NH2+]C)CC1 259459382 573461588 /nfs/dbraw/zinc/46/15/88/573461588.db2.gz PLKRHKOBQVFXIZ-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO CCN[C@@H](C)C[C@@H]1CCC[NH2+]1 86494687 573461693 /nfs/dbraw/zinc/46/16/93/573461693.db2.gz HYCJMWWGSWDPHY-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CNCC1([C@@H](CC(C)C)[NH2+]C)CC1 259459383 573461751 /nfs/dbraw/zinc/46/17/51/573461751.db2.gz PLKRHKOBQVFXIZ-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC[C@H](N)C1CC1 130089248 573461902 /nfs/dbraw/zinc/46/19/02/573461902.db2.gz RLYSCJATQLJNTJ-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H]([C@H](F)CN)C1 257815391 573461918 /nfs/dbraw/zinc/46/19/18/573461918.db2.gz CTGCLASDQNUJSV-RKDXNWHRSA-N 1 3 174.263 1.014 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H]([C@H](F)CN)C1 257815391 573461922 /nfs/dbraw/zinc/46/19/22/573461922.db2.gz CTGCLASDQNUJSV-RKDXNWHRSA-N 1 3 174.263 1.014 10 0 ADAEHO [NH3+][C@H](CCNC1CCC1)C1CC1 130086892 573462770 /nfs/dbraw/zinc/46/27/70/573462770.db2.gz BDODIVASDANPHB-SNVBAGLBSA-N 1 3 168.284 1.256 10 0 ADAEHO C[NH2+][C@@H](CC(C)(C)N)C(C)C 259457857 573462443 /nfs/dbraw/zinc/46/24/43/573462443.db2.gz PKLUSDUIKHZRGN-QMMMGPOBSA-N 1 3 158.289 1.358 10 0 ADAEHO C[NH+](C)[C@@H](C1CNC1)C(C)(C)C 259462175 573465388 /nfs/dbraw/zinc/46/53/88/573465388.db2.gz JSNQFNDEQGAVRO-VIFPVBQESA-N 1 3 170.300 1.182 10 0 ADAEHO CCN[C@H](C)C[C@@H]1CCC[NH2+]1 86494691 573462702 /nfs/dbraw/zinc/46/27/02/573462702.db2.gz HYCJMWWGSWDPHY-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO N[C@H](CC[NH2+]C1CCC1)C1CC1 130086892 573462762 /nfs/dbraw/zinc/46/27/62/573462762.db2.gz BDODIVASDANPHB-SNVBAGLBSA-N 1 3 168.284 1.256 10 0 ADAEHO CCC[C@H]([NH3+])C1(N)CCCCC1 142695436 573463036 /nfs/dbraw/zinc/46/30/36/573463036.db2.gz JDSQDBJWGKVSPP-VIFPVBQESA-N 1 3 170.300 1.775 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86494096 573463268 /nfs/dbraw/zinc/46/32/68/573463268.db2.gz BNBZOLCUBNNMMJ-AEJSXWLSSA-N 1 3 168.284 1.127 10 0 ADAEHO [NH3+]CC[C@@]1(c2ccc(F)cc2)CCN1 258376660 573463443 /nfs/dbraw/zinc/46/34/43/573463443.db2.gz XMUFKNSUXOOMEZ-NSHDSACASA-N 1 3 194.253 1.363 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H]([C@@H](F)CN)C1 257815388 573463606 /nfs/dbraw/zinc/46/36/06/573463606.db2.gz CTGCLASDQNUJSV-IUCAKERBSA-N 1 3 174.263 1.014 10 0 ADAEHO CC(C)[N@H+]1CC[C@H]([C@@H](F)CN)C1 257815388 573463610 /nfs/dbraw/zinc/46/36/10/573463610.db2.gz CTGCLASDQNUJSV-IUCAKERBSA-N 1 3 174.263 1.014 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@H]1C[C@@H]1CCCCN1 238404023 573463641 /nfs/dbraw/zinc/46/36/41/573463641.db2.gz RHCMACPGKIBGJK-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCCN[C@H]1C[C@@H]1CCCC[NH2+]1 238404023 573463644 /nfs/dbraw/zinc/46/36/44/573463644.db2.gz RHCMACPGKIBGJK-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO N[C@@H](CC[NH2+]C1CCC1)C1CC1 130086663 573463763 /nfs/dbraw/zinc/46/37/63/573463763.db2.gz BDODIVASDANPHB-JTQLQIEISA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@@H](CCNC1CCC1)C1CC1 130086663 573463766 /nfs/dbraw/zinc/46/37/66/573463766.db2.gz BDODIVASDANPHB-JTQLQIEISA-N 1 3 168.284 1.256 10 0 ADAEHO NC(=[NH2+])CCN1C[C@H]2CCCCC[C@H]21 687960279 573463805 /nfs/dbraw/zinc/46/38/05/573463805.db2.gz WHMGBZWTHVPUKI-NXEZZACHSA-N 1 3 195.310 1.577 10 0 ADAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC1CCC1 86496138 573463921 /nfs/dbraw/zinc/46/39/21/573463921.db2.gz KHHSWYLIRLADNV-ONGXEEELSA-N 1 3 182.311 1.659 10 0 ADAEHO CC1(C)C[C@H]1NCC[C@H]([NH3+])C1CC1 130078559 573463958 /nfs/dbraw/zinc/46/39/58/573463958.db2.gz HVXMFZPSOPZTOV-VHSXEESVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@]1([C@H]2CC[NH2+]C2)CCCCN1 258037427 573464050 /nfs/dbraw/zinc/46/40/50/573464050.db2.gz CKSGBHFMLCUEIH-UWVGGRQHSA-N 1 3 168.284 1.128 10 0 ADAEHO Cc1ccsc1CC[NH2+]CCCN 258662162 573464199 /nfs/dbraw/zinc/46/41/99/573464199.db2.gz BVFPTDVIRGMEFH-UHFFFAOYSA-N 1 3 198.335 1.537 10 0 ADAEHO Cc1ccsc1CCNCCC[NH3+] 258662162 573464204 /nfs/dbraw/zinc/46/42/04/573464204.db2.gz BVFPTDVIRGMEFH-UHFFFAOYSA-N 1 3 198.335 1.537 10 0 ADAEHO CC[NH+]1CCC([C@H](F)CN)CC1 257814923 573464279 /nfs/dbraw/zinc/46/42/79/573464279.db2.gz COPAXKDIAAGBGN-SECBINFHSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@]1([C@@H]2CC[NH2+]C2)CCCCN1 258037425 573464286 /nfs/dbraw/zinc/46/42/86/573464286.db2.gz CKSGBHFMLCUEIH-NXEZZACHSA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@@]1([C@@H]2CC[NH2+]C2)CCCCN1 258037431 573464364 /nfs/dbraw/zinc/46/43/64/573464364.db2.gz CKSGBHFMLCUEIH-ZJUUUORDSA-N 1 3 168.284 1.128 10 0 ADAEHO CC1(C)C[C@H]1NCC[C@@H]([NH3+])C1CC1 130079044 573464506 /nfs/dbraw/zinc/46/45/06/573464506.db2.gz HVXMFZPSOPZTOV-NXEZZACHSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)(C)[C@@H](N)[C@@H]1CCC[NH2+]C1 259461984 573464537 /nfs/dbraw/zinc/46/45/37/573464537.db2.gz RCCZGYYJCCMJJJ-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO NC(=[NH2+])CCN1C[C@@H]2CCCCC[C@H]21 687960300 573464538 /nfs/dbraw/zinc/46/45/38/573464538.db2.gz WHMGBZWTHVPUKI-VHSXEESVSA-N 1 3 195.310 1.577 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@H](N)C1CC1 130089462 573464581 /nfs/dbraw/zinc/46/45/81/573464581.db2.gz RLYSCJATQLJNTJ-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO NC(=[NH2+])CCN1C[C@@H]2CCCCC[C@@H]21 687960293 573464685 /nfs/dbraw/zinc/46/46/85/573464685.db2.gz WHMGBZWTHVPUKI-UWVGGRQHSA-N 1 3 195.310 1.577 10 0 ADAEHO C[C@@H]1CO[C@](C)(C2CCN(C)CC2)[NH2+]1 258357973 573464731 /nfs/dbraw/zinc/46/47/31/573464731.db2.gz GDOVZWRPXXQDSZ-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO CCN[C@H](C)C[C@H]1CCC[NH2+]1 86494696 573464858 /nfs/dbraw/zinc/46/48/58/573464858.db2.gz HYCJMWWGSWDPHY-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H](C[C@@H]1CCCC[NH2+]1)NC1CC1 86498545 573465347 /nfs/dbraw/zinc/46/53/47/573465347.db2.gz BIIGADOVWMUERB-ONGXEEELSA-N 1 3 182.311 1.659 10 0 ADAEHO CN(C)[C@@H](C1C[NH2+]C1)C(C)(C)C 259462175 573465384 /nfs/dbraw/zinc/46/53/84/573465384.db2.gz JSNQFNDEQGAVRO-VIFPVBQESA-N 1 3 170.300 1.182 10 0 ADAEHO CC1(C)C[C@@H]1NCC[C@H]([NH3+])C1CC1 130078368 573465393 /nfs/dbraw/zinc/46/53/93/573465393.db2.gz HVXMFZPSOPZTOV-UWVGGRQHSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)(C)[C@@H](N)[C@H]1CCC[NH2+]C1 259461989 573465397 /nfs/dbraw/zinc/46/53/97/573465397.db2.gz RCCZGYYJCCMJJJ-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO C[NH2+]C[C@@H]1CN(C2CC2)C(C)(C)C1 259461246 573465422 /nfs/dbraw/zinc/46/54/22/573465422.db2.gz QCOJTXQJZVAQPO-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H]1C[N@H+](C2CC2)C(C)(C)C1 259461246 573465424 /nfs/dbraw/zinc/46/54/24/573465424.db2.gz QCOJTXQJZVAQPO-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H]1C[N@@H+](C2CC2)C(C)(C)C1 259461246 573465430 /nfs/dbraw/zinc/46/54/30/573465430.db2.gz QCOJTXQJZVAQPO-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@@](C)(F)CN)C1 257820671 573465445 /nfs/dbraw/zinc/46/54/45/573465445.db2.gz FUNGRJFTMGBREC-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@@](C)(F)CN)C1 257820671 573465450 /nfs/dbraw/zinc/46/54/50/573465450.db2.gz FUNGRJFTMGBREC-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]1CO[C@@](C)(C2CCN(C)CC2)[NH2+]1 258357979 573465528 /nfs/dbraw/zinc/46/55/28/573465528.db2.gz GDOVZWRPXXQDSZ-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@@H]1C(C)(C)C 107273852 573465612 /nfs/dbraw/zinc/46/56/12/573465612.db2.gz GGLDARBXQVZMFD-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@@H]1C(C)(C)C 107273852 573465617 /nfs/dbraw/zinc/46/56/17/573465617.db2.gz GGLDARBXQVZMFD-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@@H]1C(C)(C)C 107273852 573465620 /nfs/dbraw/zinc/46/56/20/573465620.db2.gz GGLDARBXQVZMFD-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)(C)[C@H](N)[C@H]1CCC[NH2+]C1 259461986 573465769 /nfs/dbraw/zinc/46/57/69/573465769.db2.gz RCCZGYYJCCMJJJ-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H]1CC(C)(C)[NH2+][C@H](C)CN1 238404657 573466061 /nfs/dbraw/zinc/46/60/61/573466061.db2.gz ZEPZVKXVHQECDM-JGVFFNPUSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1CC(C)(C)N[C@H](C)C[NH2+]1 238404657 573466069 /nfs/dbraw/zinc/46/60/69/573466069.db2.gz ZEPZVKXVHQECDM-JGVFFNPUSA-N 1 3 156.273 1.125 10 0 ADAEHO NC(=[NH2+])CCN1C[C@H]2CCCCC[C@@H]21 687960308 573466070 /nfs/dbraw/zinc/46/60/70/573466070.db2.gz WHMGBZWTHVPUKI-ZJUUUORDSA-N 1 3 195.310 1.577 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]CC[C@H](N)C1CC1 130114915 573466976 /nfs/dbraw/zinc/46/69/76/573466976.db2.gz GAQFXIJSRUGUTO-PWSUYJOCSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)[N@@H+]1CCCNCC[C@@H]1C 259461225 573466478 /nfs/dbraw/zinc/46/64/78/573466478.db2.gz QBXOVMHSMBAJNH-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@H+]1CCCNCC[C@@H]1C 259461225 573466486 /nfs/dbraw/zinc/46/64/86/573466486.db2.gz QBXOVMHSMBAJNH-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@H](c1cc(CN)n(C)c1)[NH+](C)C 257815764 573466573 /nfs/dbraw/zinc/46/65/73/573466573.db2.gz CXOQYXOGDPICQW-QMMMGPOBSA-N 1 3 181.283 1.106 10 0 ADAEHO CN(C)[C@H](C1C[NH2+]C1)C(C)(C)C 259462174 573466626 /nfs/dbraw/zinc/46/66/26/573466626.db2.gz JSNQFNDEQGAVRO-SECBINFHSA-N 1 3 170.300 1.182 10 0 ADAEHO C[NH+](C)[C@H](C1CNC1)C(C)(C)C 259462174 573466630 /nfs/dbraw/zinc/46/66/30/573466630.db2.gz JSNQFNDEQGAVRO-SECBINFHSA-N 1 3 170.300 1.182 10 0 ADAEHO CC[N@H+](CC[C@H](N)C1CC1)CC1CC1 130106037 573466632 /nfs/dbraw/zinc/46/66/32/573466632.db2.gz CIYZRFSUEQSTMO-LBPRGKRZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC[C@H](N)C1CC1)CC1CC1 130106037 573466640 /nfs/dbraw/zinc/46/66/40/573466640.db2.gz CIYZRFSUEQSTMO-LBPRGKRZSA-N 1 3 196.338 1.846 10 0 ADAEHO CCN(CC[C@H]([NH3+])C1CC1)CC1CC1 130106037 573466641 /nfs/dbraw/zinc/46/66/41/573466641.db2.gz CIYZRFSUEQSTMO-LBPRGKRZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(C)[C@H](N)[C@@H]1CCC[NH2+]C1 259461990 573466823 /nfs/dbraw/zinc/46/68/23/573466823.db2.gz RCCZGYYJCCMJJJ-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@@](C)(F)CN)C1 257820673 573466895 /nfs/dbraw/zinc/46/68/95/573466895.db2.gz FUNGRJFTMGBREC-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@@](C)(F)CN)C1 257820673 573466900 /nfs/dbraw/zinc/46/69/00/573466900.db2.gz FUNGRJFTMGBREC-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO CCC[C@@H]([NH3+])C1(N)CCCCC1 142695644 573466903 /nfs/dbraw/zinc/46/69/03/573466903.db2.gz JDSQDBJWGKVSPP-SECBINFHSA-N 1 3 170.300 1.775 10 0 ADAEHO CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 86500460 573470942 /nfs/dbraw/zinc/47/09/42/573470942.db2.gz WZKDMYROEPGLLT-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CNC[C@@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 126285104 573470989 /nfs/dbraw/zinc/47/09/89/573470989.db2.gz HBJLOCCMGRCRRF-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126285104 573470995 /nfs/dbraw/zinc/47/09/95/573470995.db2.gz HBJLOCCMGRCRRF-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)CC[C@H]([NH3+])C1CC1 130105133 573471008 /nfs/dbraw/zinc/47/10/08/573471008.db2.gz COZHGCRWGJYURE-JLLWLGSASA-N 1 3 196.338 1.702 10 0 ADAEHO CCN(CC)Cc1ccncc1C[NH3+] 257820721 573471639 /nfs/dbraw/zinc/47/16/39/573471639.db2.gz FWLUYHQPXDNHBU-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CN1CCC(C(F)(F)CC[NH3+])CC1 107282128 573471737 /nfs/dbraw/zinc/47/17/37/573471737.db2.gz PQVWBULDEIWVOU-UHFFFAOYSA-N 1 3 192.253 1.312 10 0 ADAEHO CCN(CC)[C@@H](C)C[C@@H]1CCC[NH2+]1 257818415 573477666 /nfs/dbraw/zinc/47/76/66/573477666.db2.gz DYUJTRLVUWEDMQ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]([C@H]1CCCNC1)[NH+](C)C 259464350 573479969 /nfs/dbraw/zinc/47/99/69/573479969.db2.gz JXNPSGJMOWYYFX-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H]([C@H]1CCC[NH2+]C1)N(C)C 259464350 573479973 /nfs/dbraw/zinc/47/99/73/573479973.db2.gz JXNPSGJMOWYYFX-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(CC)[C@H](C)C[C@H]1CCC[NH2+]1 257818412 573476284 /nfs/dbraw/zinc/47/62/84/573476284.db2.gz DYUJTRLVUWEDMQ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(CC)[C@H](C)C[C@@H]1CCC[NH2+]1 257818414 573476506 /nfs/dbraw/zinc/47/65/06/573476506.db2.gz DYUJTRLVUWEDMQ-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@H]2N[C@@H](C)CO2)C1 258668566 573476813 /nfs/dbraw/zinc/47/68/13/573476813.db2.gz STZVQTDZNDXWTR-AXFHLTTASA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@H]2N[C@@H](C)CO2)C1 258668566 573476821 /nfs/dbraw/zinc/47/68/21/573476821.db2.gz STZVQTDZNDXWTR-AXFHLTTASA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](CN)C1 83394192 573477095 /nfs/dbraw/zinc/47/70/95/573477095.db2.gz GWFKNANEIRWJCR-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](CN)C1 83394192 573477100 /nfs/dbraw/zinc/47/71/00/573477100.db2.gz GWFKNANEIRWJCR-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C[N@@H+]2CCC[C@H]2CCN)CCC1 393666035 573477224 /nfs/dbraw/zinc/47/72/24/573477224.db2.gz JLVOZBPRAWRATK-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C[N@H+]2CCC[C@H]2CCN)CCC1 393666035 573477230 /nfs/dbraw/zinc/47/72/30/573477230.db2.gz JLVOZBPRAWRATK-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CNCC1(C[NH2+]CC(C)C)CCC1 258667147 573477235 /nfs/dbraw/zinc/47/72/35/573477235.db2.gz OBRDXNPSUHHETB-UHFFFAOYSA-N 1 3 184.327 1.622 10 0 ADAEHO Cc1ccc([C@H](N)[C@H](C)C[NH3+])cc1 259100677 573477420 /nfs/dbraw/zinc/47/74/20/573477420.db2.gz AXALVGVUWQEFRU-MWLCHTKSSA-N 1 3 178.279 1.590 10 0 ADAEHO CCN(CC)[C@@H](C)C[C@H]1CCC[NH2+]1 257818417 573477618 /nfs/dbraw/zinc/47/76/18/573477618.db2.gz DYUJTRLVUWEDMQ-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@@H]2N[C@H](C)CO2)C1 258668573 573478502 /nfs/dbraw/zinc/47/85/02/573478502.db2.gz STZVQTDZNDXWTR-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@@H]2N[C@H](C)CO2)C1 258668573 573478504 /nfs/dbraw/zinc/47/85/04/573478504.db2.gz STZVQTDZNDXWTR-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[C@H](C[NH3+])CNc1ccncc1 259106212 573478946 /nfs/dbraw/zinc/47/89/46/573478946.db2.gz XHNZNWHQVKOFAL-SNVBAGLBSA-N 1 3 193.294 1.724 10 0 ADAEHO Cc1ccc([C@@H](N)[C@H](C)C[NH3+])cc1 259100675 573478993 /nfs/dbraw/zinc/47/89/93/573478993.db2.gz AXALVGVUWQEFRU-KOLCDFICSA-N 1 3 178.279 1.590 10 0 ADAEHO CCC[C@@H]([C@H]1CCCNC1)[NH+](C)C 259464348 573480301 /nfs/dbraw/zinc/48/03/01/573480301.db2.gz JXNPSGJMOWYYFX-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@@H]([C@H]1CCC[NH2+]C1)N(C)C 259464348 573480304 /nfs/dbraw/zinc/48/03/04/573480304.db2.gz JXNPSGJMOWYYFX-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CCC[C@@H]2C[C@@H]([NH3+])CCN12 238413334 573480376 /nfs/dbraw/zinc/48/03/76/573480376.db2.gz FBRHOTRQUZONNZ-KXUCPTDWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[NH2+]CC1(CN2CCC(C)CC2)CC1 258674575 573481464 /nfs/dbraw/zinc/48/14/64/573481464.db2.gz OUTWFSKXGWRPTN-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO CNCC1(C[NH+]2CCC(C)CC2)CC1 258674575 573481472 /nfs/dbraw/zinc/48/14/72/573481472.db2.gz OUTWFSKXGWRPTN-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CNc1ccncc1 259106210 573482028 /nfs/dbraw/zinc/48/20/28/573482028.db2.gz XHNZNWHQVKOFAL-JTQLQIEISA-N 1 3 193.294 1.724 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@@H]2NCCCO2)C1 258399814 573482036 /nfs/dbraw/zinc/48/20/36/573482036.db2.gz IIGIGMRQHPJGBF-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@@H]2NCCCO2)C1 258399814 573482041 /nfs/dbraw/zinc/48/20/41/573482041.db2.gz IIGIGMRQHPJGBF-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[C@@H](CN)C[N@H+]1C[C@H]2CCC[C@H]2C1 126306887 573484655 /nfs/dbraw/zinc/48/46/55/573484655.db2.gz LIGQNPBPMQILKW-SDDRHHMPSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126306887 573484667 /nfs/dbraw/zinc/48/46/67/573484667.db2.gz LIGQNPBPMQILKW-SDDRHHMPSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1[C@@H](C)CN 259469574 573484985 /nfs/dbraw/zinc/48/49/85/573484985.db2.gz NSJVEJLFSKZVPT-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1[C@@H](C)CN 259469574 573484990 /nfs/dbraw/zinc/48/49/90/573484990.db2.gz NSJVEJLFSKZVPT-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1[C@H](C)CN 259469570 573484849 /nfs/dbraw/zinc/48/48/49/573484849.db2.gz NSJVEJLFSKZVPT-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CCC[C@H]1[C@H](C)CN 259469570 573484856 /nfs/dbraw/zinc/48/48/56/573484856.db2.gz NSJVEJLFSKZVPT-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)N1CCC[C@H](C2([NH3+])CC2)C1 258038627 573487770 /nfs/dbraw/zinc/48/77/70/573487770.db2.gz OGQAMGHPDIAOOH-JTQLQIEISA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1[C@@H](C)CN 259469576 573486735 /nfs/dbraw/zinc/48/67/35/573486735.db2.gz NSJVEJLFSKZVPT-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CCC[C@H]1[C@@H](C)CN 259469576 573486737 /nfs/dbraw/zinc/48/67/37/573486737.db2.gz NSJVEJLFSKZVPT-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]([NH3+])[C@](C)(F)C1CCN(C)CC1 257820048 573486755 /nfs/dbraw/zinc/48/67/55/573486755.db2.gz FOCPUHRMMRUODG-SCZZXKLOSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(=[NH2+])N1CCCN(C)C[C@@H]1C 235607150 573486796 /nfs/dbraw/zinc/48/67/96/573486796.db2.gz PXNKLWSMPFDQBL-QMMMGPOBSA-N 1 3 169.272 1.010 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C(C)C)[C@H]1C 259106592 573486855 /nfs/dbraw/zinc/48/68/55/573486855.db2.gz AWHLAGVZNKPKQP-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C(C)C)[C@H]1C 259106592 573486861 /nfs/dbraw/zinc/48/68/61/573486861.db2.gz AWHLAGVZNKPKQP-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO Cc1ccc([C@H]([NH3+])C(C)(C)CN)cc1 259470661 573486883 /nfs/dbraw/zinc/48/68/83/573486883.db2.gz RRGRBOQNHCSAFB-NSHDSACASA-N 1 3 192.306 1.980 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+]CC[C@H](N)C1CC1 308593492 573487080 /nfs/dbraw/zinc/48/70/80/573487080.db2.gz LGXYMURVVVYTGL-QWRGUYRKSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)CC[C@@H]1NCC[C@H]([NH3+])C1CC1 308593492 573487082 /nfs/dbraw/zinc/48/70/82/573487082.db2.gz LGXYMURVVVYTGL-QWRGUYRKSA-N 1 3 196.338 1.892 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C(C)C)[C@@H]1C 259106597 573487180 /nfs/dbraw/zinc/48/71/80/573487180.db2.gz AWHLAGVZNKPKQP-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C(C)C)[C@@H]1C 259106597 573487182 /nfs/dbraw/zinc/48/71/82/573487182.db2.gz AWHLAGVZNKPKQP-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)C)[C@H]1C 259106594 573487198 /nfs/dbraw/zinc/48/71/98/573487198.db2.gz AWHLAGVZNKPKQP-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)C)[C@H]1C 259106594 573487202 /nfs/dbraw/zinc/48/72/02/573487202.db2.gz AWHLAGVZNKPKQP-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1[C@H](C)CN 259469580 573487501 /nfs/dbraw/zinc/48/75/01/573487501.db2.gz NSJVEJLFSKZVPT-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1[C@H](C)CN 259469580 573487504 /nfs/dbraw/zinc/48/75/04/573487504.db2.gz NSJVEJLFSKZVPT-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C)[C@H]1CCCC[C@@H]([NH3+])C1 107301834 573487585 /nfs/dbraw/zinc/48/75/85/573487585.db2.gz JFGSHKHROOYEIX-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H](C2(N)CC2)C1 258038627 573487761 /nfs/dbraw/zinc/48/77/61/573487761.db2.gz OGQAMGHPDIAOOH-JTQLQIEISA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H](C2(N)CC2)C1 258038627 573487766 /nfs/dbraw/zinc/48/77/66/573487766.db2.gz OGQAMGHPDIAOOH-JTQLQIEISA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H](C2(N)CC2)C1 258038629 573487873 /nfs/dbraw/zinc/48/78/73/573487873.db2.gz OGQAMGHPDIAOOH-SNVBAGLBSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H](C2(N)CC2)C1 258038629 573487879 /nfs/dbraw/zinc/48/78/79/573487879.db2.gz OGQAMGHPDIAOOH-SNVBAGLBSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)N1CCC[C@@H](C2([NH3+])CC2)C1 258038629 573487885 /nfs/dbraw/zinc/48/78/85/573487885.db2.gz OGQAMGHPDIAOOH-SNVBAGLBSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C)[C@H]1CCCC[C@H]([NH3+])C1 107301829 573488167 /nfs/dbraw/zinc/48/81/67/573488167.db2.gz JFGSHKHROOYEIX-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO Nc1ccncc1/C=C/CC[NH3+] 86570937 573488369 /nfs/dbraw/zinc/48/83/69/573488369.db2.gz VPODZGLOCJDTJD-HNQUOIGGSA-N 1 3 163.224 1.026 10 0 ADAEHO CN(C)[C@@H]1CCCC[C@H]([NH3+])C1 107301825 573488540 /nfs/dbraw/zinc/48/85/40/573488540.db2.gz JFGSHKHROOYEIX-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1(C)CC[C@H]1[NH2+]CC[C@@H](N)C1CC1 308593490 573488591 /nfs/dbraw/zinc/48/85/91/573488591.db2.gz LGXYMURVVVYTGL-GHMZBOCLSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)CC[C@H]1NCC[C@@H]([NH3+])C1CC1 308593490 573488594 /nfs/dbraw/zinc/48/85/94/573488594.db2.gz LGXYMURVVVYTGL-GHMZBOCLSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H]([NH3+])[C@@](C)(F)C1CCN(C)CC1 257820049 573490491 /nfs/dbraw/zinc/49/04/91/573490491.db2.gz FOCPUHRMMRUODG-WCBMZHEXSA-N 1 3 188.290 1.404 10 0 ADAEHO CC1(C)CC[C@H]1[NH2+]CC[C@H](N)C1CC1 308593493 573489047 /nfs/dbraw/zinc/48/90/47/573489047.db2.gz LGXYMURVVVYTGL-WDEREUQCSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)CC[C@H]1NCC[C@H]([NH3+])C1CC1 308593493 573489054 /nfs/dbraw/zinc/48/90/54/573489054.db2.gz LGXYMURVVVYTGL-WDEREUQCSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[NH2+]C[C@H](CNC)C(C)C 258678604 573489103 /nfs/dbraw/zinc/48/91/03/573489103.db2.gz PDJKDFDUUDPMOM-JTQLQIEISA-N 1 3 172.316 1.478 10 0 ADAEHO CN(C)[C@@H]1CCCC[C@@H]([NH3+])C1 107301832 573489152 /nfs/dbraw/zinc/48/91/52/573489152.db2.gz JFGSHKHROOYEIX-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]([NH3+])[C@](C)(F)C1CCN(C)CC1 257820050 573489346 /nfs/dbraw/zinc/48/93/46/573489346.db2.gz FOCPUHRMMRUODG-WPRPVWTQSA-N 1 3 188.290 1.404 10 0 ADAEHO CCC[C@@H]([NH2+]C)C1(CNC)CC1 259475077 573489361 /nfs/dbraw/zinc/48/93/61/573489361.db2.gz QJEYUGWFZKJTKI-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+]CC[C@@H](N)C1CC1 308593491 573490201 /nfs/dbraw/zinc/49/02/01/573490201.db2.gz LGXYMURVVVYTGL-MNOVXSKESA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)CC[C@@H]1NCC[C@@H]([NH3+])C1CC1 308593491 573490211 /nfs/dbraw/zinc/49/02/11/573490211.db2.gz LGXYMURVVVYTGL-MNOVXSKESA-N 1 3 196.338 1.892 10 0 ADAEHO C/C(=C/CC[NH3+])c1cnccc1N 86570758 573491594 /nfs/dbraw/zinc/49/15/94/573491594.db2.gz NGFVPQGVKJOCEY-BAQGIRSFSA-N 1 3 177.251 1.416 10 0 ADAEHO CC1(C)CCNCCC[N@@H+]1C1CC1 259472472 573491891 /nfs/dbraw/zinc/49/18/91/573491891.db2.gz QWROQIWMRSSKBM-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CCNCCC[N@H+]1C1CC1 259472472 573491894 /nfs/dbraw/zinc/49/18/94/573491894.db2.gz QWROQIWMRSSKBM-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CC[NH2+]CCCN1C1CC1 259472472 573491901 /nfs/dbraw/zinc/49/19/01/573491901.db2.gz QWROQIWMRSSKBM-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[C@H]([NH2+]C)C1(CNC)CC1 259475081 573491915 /nfs/dbraw/zinc/49/19/15/573491915.db2.gz QJEYUGWFZKJTKI-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)(CCN)[NH2+]CCc1cc[nH]c1 258687668 573492139 /nfs/dbraw/zinc/49/21/39/573492139.db2.gz BFZXOKYEWVOPII-UHFFFAOYSA-N 1 3 195.310 1.274 10 0 ADAEHO CN[C@H](c1cc[nH]c1)C(C)(C)C[NH3+] 259472954 573492160 /nfs/dbraw/zinc/49/21/60/573492160.db2.gz PHLVPSFLZJNKRD-SECBINFHSA-N 1 3 181.283 1.260 10 0 ADAEHO C[NH2+][C@H](c1cc[nH]c1)C(C)(C)CN 259472954 573492166 /nfs/dbraw/zinc/49/21/66/573492166.db2.gz PHLVPSFLZJNKRD-SECBINFHSA-N 1 3 181.283 1.260 10 0 ADAEHO CCCC(C)(C)C[NH2+]C[C@@H](C)CN 258688174 573492505 /nfs/dbraw/zinc/49/25/05/573492505.db2.gz FOYIJDLCKJPQRV-JTQLQIEISA-N 1 3 186.343 1.997 10 0 ADAEHO CN(C)Cc1ccc(/C=C/C[NH3+])cc1 258042479 573493151 /nfs/dbraw/zinc/49/31/51/573493151.db2.gz JXNVDQCZCHSTNX-ONEGZZNKSA-N 1 3 190.290 1.720 10 0 ADAEHO CC[C@@H](CNC)C[NH2+]CCC(C)C 258684556 573493390 /nfs/dbraw/zinc/49/33/90/573493390.db2.gz PQUWAFFXJXIHIW-NSHDSACASA-N 1 3 186.343 1.868 10 0 ADAEHO C[C@H](CNc1ccncc1)C[NH+](C)C 308593692 573494711 /nfs/dbraw/zinc/49/47/11/573494711.db2.gz XCHNLYNMJQGZHN-SNVBAGLBSA-N 1 3 193.294 1.691 10 0 ADAEHO CCCC[NH2+]CC[C@H]1CCCCN1 258687703 573496240 /nfs/dbraw/zinc/49/62/40/573496240.db2.gz IVWWPCPGPFDXJD-LLVKDONJSA-N 1 3 184.327 1.908 10 0 ADAEHO C[C@@H]1CC(C)(C)N[C@H](C)[C@@H]1[NH3+] 238420609 573496263 /nfs/dbraw/zinc/49/62/63/573496263.db2.gz VWHNOUAHLHNASH-BWZBUEFSSA-N 1 3 156.273 1.110 10 0 ADAEHO Cc1cccc([C@@H]([NH3+])C(C)(C)N)c1 259476152 573496301 /nfs/dbraw/zinc/49/63/01/573496301.db2.gz SBRQFWFIIPFCBU-SNVBAGLBSA-N 1 3 178.279 1.732 10 0 ADAEHO CN[C@@H](c1ccc(C)cc1)[C@@H](C)C[NH3+] 259477634 573496668 /nfs/dbraw/zinc/49/66/68/573496668.db2.gz PNOGHZAUIODARZ-CMPLNLGQSA-N 1 3 192.306 1.850 10 0 ADAEHO [NH3+]CCC1CN(CCCC(F)F)C1 688719180 573496803 /nfs/dbraw/zinc/49/68/03/573496803.db2.gz LWCOSIFIIICYDM-UHFFFAOYSA-N 1 3 192.253 1.312 10 0 ADAEHO CCCC[C@@H]1C[C@H]([NH3+])CCN1C 83426139 573496891 /nfs/dbraw/zinc/49/68/91/573496891.db2.gz FNGAUDKYJXEOIL-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@H+](CCC1CC1)[C@@H]1CC[C@H](N)C1 308393672 573496982 /nfs/dbraw/zinc/49/69/82/573496982.db2.gz BZGAXTNQBAZVLL-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@@H]1CC[C@H](N)C1 308393672 573496985 /nfs/dbraw/zinc/49/69/85/573496985.db2.gz BZGAXTNQBAZVLL-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(CCC1CC1)[C@@H]1CC[C@H]([NH3+])C1 308393672 573496992 /nfs/dbraw/zinc/49/69/92/573496992.db2.gz BZGAXTNQBAZVLL-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)CC(C)(C)C[NH2+]CCCN 258705503 573497533 /nfs/dbraw/zinc/49/75/33/573497533.db2.gz HFODXNBNKPTPEG-UHFFFAOYSA-N 1 3 186.343 1.997 10 0 ADAEHO C[N@H+](CCC1CC1)[C@@H]1CC[C@@H](N)C1 308393669 573497622 /nfs/dbraw/zinc/49/76/22/573497622.db2.gz BZGAXTNQBAZVLL-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@@H]1CC[C@@H](N)C1 308393669 573497627 /nfs/dbraw/zinc/49/76/27/573497627.db2.gz BZGAXTNQBAZVLL-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(CCC1CC1)[C@@H]1CC[C@@H]([NH3+])C1 308393669 573497634 /nfs/dbraw/zinc/49/76/34/573497634.db2.gz BZGAXTNQBAZVLL-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN1CCC[C@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258700805 573498178 /nfs/dbraw/zinc/49/81/78/573498178.db2.gz UPRBWOVJUJWNMF-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@]1([C@@H]2CCCN(C)C2)CCC[NH2+]1 258047084 573498116 /nfs/dbraw/zinc/49/81/16/573498116.db2.gz CVLTUOJESKUERM-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@H]1CC[C@@H](N)C1 308393670 573498078 /nfs/dbraw/zinc/49/80/78/573498078.db2.gz BZGAXTNQBAZVLL-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CN(CCC1CC1)[C@H]1CC[C@@H]([NH3+])C1 308393670 573498083 /nfs/dbraw/zinc/49/80/83/573498083.db2.gz BZGAXTNQBAZVLL-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+]1CC[C@H](CNC)C1(C)C 259478500 573498035 /nfs/dbraw/zinc/49/80/35/573498035.db2.gz REJVVISTWYGPHH-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1CC[C@H](CNC)C1(C)C 259478500 573498040 /nfs/dbraw/zinc/49/80/40/573498040.db2.gz REJVVISTWYGPHH-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO NC[C@H]1CCC[C@@H]1[NH2+]CCC(F)F 308394190 573498044 /nfs/dbraw/zinc/49/80/44/573498044.db2.gz CHFQUKVSYGFVQD-SFYZADRCSA-N 1 3 192.253 1.359 10 0 ADAEHO CCCC[C@H]1[C@H](N)CCC[N@@H+]1C 83428429 573498051 /nfs/dbraw/zinc/49/80/51/573498051.db2.gz XQFUBGCPIQRXAD-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[C@H]1[C@H](N)CCC[N@H+]1C 83428429 573498053 /nfs/dbraw/zinc/49/80/53/573498053.db2.gz XQFUBGCPIQRXAD-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@@H]1NCCC(F)F 308394190 573498054 /nfs/dbraw/zinc/49/80/54/573498054.db2.gz CHFQUKVSYGFVQD-SFYZADRCSA-N 1 3 192.253 1.359 10 0 ADAEHO C[N@H+](CCC1CC1)[C@H]1CC[C@@H](N)C1 308393670 573498071 /nfs/dbraw/zinc/49/80/71/573498071.db2.gz BZGAXTNQBAZVLL-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1([C@H]2CCCN(C)C2)CCC[NH2+]1 258047076 573498381 /nfs/dbraw/zinc/49/83/81/573498381.db2.gz CVLTUOJESKUERM-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCC[C@@](N)(C[NH3+])CC1 83428254 573498501 /nfs/dbraw/zinc/49/85/01/573498501.db2.gz OXHVXBCZXBHLCT-BDAKNGLRSA-N 1 3 156.273 1.243 10 0 ADAEHO CCN1CCC[C@H]([C@H]2[NH2+]C[C@H](C)O2)C1 258700788 573498681 /nfs/dbraw/zinc/49/86/81/573498681.db2.gz UPRBWOVJUJWNMF-DCAQKATOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H](C1C[NH2+]C1)N1CCC12CCC2 686254354 573498860 /nfs/dbraw/zinc/49/88/60/573498860.db2.gz VNELYXPEJZAKFK-VIFPVBQESA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@@H](C1CNC1)[N@@H+]1CCC12CCC2 686254354 573498866 /nfs/dbraw/zinc/49/88/66/573498866.db2.gz VNELYXPEJZAKFK-VIFPVBQESA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@@H](C1CNC1)[N@H+]1CCC12CCC2 686254354 573498872 /nfs/dbraw/zinc/49/88/72/573498872.db2.gz VNELYXPEJZAKFK-VIFPVBQESA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@@H]1CCC[C@](N)(C[NH3+])CC1 83428252 573498922 /nfs/dbraw/zinc/49/89/22/573498922.db2.gz OXHVXBCZXBHLCT-RKDXNWHRSA-N 1 3 156.273 1.243 10 0 ADAEHO C[C@H](C1C[NH2+]C1)N1CCC12CCC2 686254353 573499029 /nfs/dbraw/zinc/49/90/29/573499029.db2.gz VNELYXPEJZAKFK-SECBINFHSA-N 1 3 180.295 1.223 10 0 ADAEHO C/C=C\CNC[C@@H](C)C[NH+]1CCCC1 308400604 573499032 /nfs/dbraw/zinc/49/90/32/573499032.db2.gz MAGHOIXLMJWYAQ-VSQXVHSFSA-N 1 3 196.338 1.884 10 0 ADAEHO C[C@H](C1CNC1)[N@@H+]1CCC12CCC2 686254353 573499036 /nfs/dbraw/zinc/49/90/36/573499036.db2.gz VNELYXPEJZAKFK-SECBINFHSA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@H](C1CNC1)[N@H+]1CCC12CCC2 686254353 573499038 /nfs/dbraw/zinc/49/90/38/573499038.db2.gz VNELYXPEJZAKFK-SECBINFHSA-N 1 3 180.295 1.223 10 0 ADAEHO C/C=C\C[NH2+]C[C@@H](C)CN1CCCC1 308400604 573499043 /nfs/dbraw/zinc/49/90/43/573499043.db2.gz MAGHOIXLMJWYAQ-VSQXVHSFSA-N 1 3 196.338 1.884 10 0 ADAEHO CCC(CC)C[NH2+][C@@H]1CC[C@H](N)C1 130244685 573502676 /nfs/dbraw/zinc/50/26/76/573502676.db2.gz LFDFJTYKNGWMPR-WDEREUQCSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H]([C@@H](C[NH2+]C)C(C)C)N(C)C 259479637 573502768 /nfs/dbraw/zinc/50/27/68/573502768.db2.gz KODBOADLQBLUOP-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1c1ccncc1 83428604 573501518 /nfs/dbraw/zinc/50/15/18/573501518.db2.gz METSTHCWZQNQBI-VHSXEESVSA-N 1 3 191.278 1.398 10 0 ADAEHO C[C@H]1CCC[C@](N)(C[NH3+])CC1 83428253 573501555 /nfs/dbraw/zinc/50/15/55/573501555.db2.gz OXHVXBCZXBHLCT-DTWKUNHWSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)c1ccncc1 259108496 573501636 /nfs/dbraw/zinc/50/16/36/573501636.db2.gz XMUDGXSLXTVULJ-SNVBAGLBSA-N 1 3 193.294 1.503 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](NC)c1ccncc1 259109317 573501701 /nfs/dbraw/zinc/50/17/01/573501701.db2.gz FPVFJRWTMKQRHJ-GXSJLCMTSA-N 1 3 193.294 1.327 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)[C@H]1CCCNC1 259108883 573501716 /nfs/dbraw/zinc/50/17/16/573501716.db2.gz ASTLOUNJCSUSGS-QWRGUYRKSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@H](CNC)C[NH2+]CC(C)C 258699569 573501758 /nfs/dbraw/zinc/50/17/58/573501758.db2.gz RGYRPFKECPQAQM-JTQLQIEISA-N 1 3 172.316 1.478 10 0 ADAEHO CCN1CCC[C@H]([C@@H]2[NH2+]C[C@@H](C)O2)C1 258700799 573501848 /nfs/dbraw/zinc/50/18/48/573501848.db2.gz UPRBWOVJUJWNMF-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC(CC)C[NH2+][C@H]1CC[C@H](N)C1 130244867 573501867 /nfs/dbraw/zinc/50/18/67/573501867.db2.gz LFDFJTYKNGWMPR-QWRGUYRKSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC(CC)C[NH2+][C@@H]1CC[C@@H](N)C1 130245084 573501935 /nfs/dbraw/zinc/50/19/35/573501935.db2.gz LFDFJTYKNGWMPR-GHMZBOCLSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@]1([C@H]2CCCN(C)C2)CCC[NH2+]1 258047079 573502005 /nfs/dbraw/zinc/50/20/05/573502005.db2.gz CVLTUOJESKUERM-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](CN)C[NH2+]CCc1cccs1 258705687 573502367 /nfs/dbraw/zinc/50/23/67/573502367.db2.gz HIGVTMQFHLRPMH-SECBINFHSA-N 1 3 198.335 1.475 10 0 ADAEHO C[C@H](C[NH3+])CNCCc1cccs1 258705687 573502372 /nfs/dbraw/zinc/50/23/72/573502372.db2.gz HIGVTMQFHLRPMH-SECBINFHSA-N 1 3 198.335 1.475 10 0 ADAEHO CC[C@H]([C@@H](CNC)C(C)C)[NH+](C)C 259479637 573502770 /nfs/dbraw/zinc/50/27/70/573502770.db2.gz KODBOADLQBLUOP-WDEREUQCSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 86599087 573504777 /nfs/dbraw/zinc/50/47/77/573504777.db2.gz YCIORUYAZRJYPA-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H]([NH3+])Cc1ccccc1CN(C)C 258050475 573503718 /nfs/dbraw/zinc/50/37/18/573503718.db2.gz KPWCBOYUQBAULH-JTQLQIEISA-N 1 3 192.306 1.638 10 0 ADAEHO CC1(C)CCC[C@](N)(C[NH3+])CC1 83436010 573503765 /nfs/dbraw/zinc/50/37/65/573503765.db2.gz BLKBJFWSTGAJTI-SNVBAGLBSA-N 1 3 170.300 1.633 10 0 ADAEHO CC1(C)C[C@@H]([NH2+]CC2CCCC2)CN1 258714300 573503923 /nfs/dbraw/zinc/50/39/23/573503923.db2.gz GCIVLIRGYGQGDT-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]([C@@H](C[NH2+]C)C(C)C)N(C)C 259479635 573503935 /nfs/dbraw/zinc/50/39/35/573503935.db2.gz KODBOADLQBLUOP-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@@H]([C@@H](CNC)C(C)C)[NH+](C)C 259479635 573503941 /nfs/dbraw/zinc/50/39/41/573503941.db2.gz KODBOADLQBLUOP-QWRGUYRKSA-N 1 3 186.343 1.818 10 0 ADAEHO CCN(C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599140 573503973 /nfs/dbraw/zinc/50/39/73/573503973.db2.gz FNPWAXAOZIAPAH-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 86599086 573503987 /nfs/dbraw/zinc/50/39/87/573503987.db2.gz BFJJYUFSXJRZAK-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO C[NH2+][C@H](CC(C)C)[C@H]1CCCNC1 259108886 573504014 /nfs/dbraw/zinc/50/40/14/573504014.db2.gz ASTLOUNJCSUSGS-WDEREUQCSA-N 1 3 184.327 1.620 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@H+](C)CC2CC2)C1 86599533 573504044 /nfs/dbraw/zinc/50/40/44/573504044.db2.gz RVMFAZXLFUFBDO-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@@H+](C)CC2CC2)C1 86599533 573504048 /nfs/dbraw/zinc/50/40/48/573504048.db2.gz RVMFAZXLFUFBDO-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N(C)CC2CC2)C1 86599533 573504053 /nfs/dbraw/zinc/50/40/53/573504053.db2.gz RVMFAZXLFUFBDO-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@]1([C@H]2CCCNC2)CCC[NH2+]1 258049185 573504105 /nfs/dbraw/zinc/50/41/05/573504105.db2.gz DALBIJQOBYKJCV-NWDGAFQWSA-N 1 3 196.338 1.764 10 0 ADAEHO CCN1CC[C@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258709144 573504126 /nfs/dbraw/zinc/50/41/26/573504126.db2.gz UVXKQUKDYYUSSB-UWVGGRQHSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC(=[NH2+])NC(C)(C)CN1CCCC1 308609713 573504320 /nfs/dbraw/zinc/50/43/20/573504320.db2.gz WDEFJABEUSQSPI-UHFFFAOYSA-N 1 3 197.326 1.838 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H](N(C)C)C1 86599084 573504354 /nfs/dbraw/zinc/50/43/54/573504354.db2.gz BFJJYUFSXJRZAK-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](NC)c1ccncc1 259109327 573504383 /nfs/dbraw/zinc/50/43/83/573504383.db2.gz FPVFJRWTMKQRHJ-ONGXEEELSA-N 1 3 193.294 1.327 10 0 ADAEHO CC(C)(C[NH2+]CCCN)c1cc[nH]c1 258707307 573504407 /nfs/dbraw/zinc/50/44/07/573504407.db2.gz HNTDPDNQKLQERT-UHFFFAOYSA-N 1 3 195.310 1.231 10 0 ADAEHO CC(C)(CNCCC[NH3+])c1cc[nH]c1 258707307 573504414 /nfs/dbraw/zinc/50/44/14/573504414.db2.gz HNTDPDNQKLQERT-UHFFFAOYSA-N 1 3 195.310 1.231 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 86599085 573504415 /nfs/dbraw/zinc/50/44/15/573504415.db2.gz BFJJYUFSXJRZAK-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)c1ccncc1 259108493 573504444 /nfs/dbraw/zinc/50/44/44/573504444.db2.gz XMUDGXSLXTVULJ-JTQLQIEISA-N 1 3 193.294 1.503 10 0 ADAEHO CC(C)[C@@H]1CCC[C@](N)(C[NH3+])CC1 83437694 573504502 /nfs/dbraw/zinc/50/45/02/573504502.db2.gz FDTYQPSHKGECDJ-GHMZBOCLSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](NC)c1ccncc1 259109319 573504579 /nfs/dbraw/zinc/50/45/79/573504579.db2.gz FPVFJRWTMKQRHJ-KOLCDFICSA-N 1 3 193.294 1.327 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H](N(C)C2CC2)C1 86599189 573505958 /nfs/dbraw/zinc/50/59/58/573505958.db2.gz BDBWOADKUQDUAT-MWLCHTKSSA-N 1 3 182.311 1.611 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@H](N(C)C)C1 86599088 573506301 /nfs/dbraw/zinc/50/63/01/573506301.db2.gz YCIORUYAZRJYPA-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC1(C)CCC[C@@](N)(C[NH3+])CC1 83436011 573507136 /nfs/dbraw/zinc/50/71/36/573507136.db2.gz BLKBJFWSTGAJTI-JTQLQIEISA-N 1 3 170.300 1.633 10 0 ADAEHO C[NH+](C)[C@@H](c1cc[nH]c1)C(C)(C)CN 259479798 573507080 /nfs/dbraw/zinc/50/70/80/573507080.db2.gz KQJIOSHCSPTXQU-JTQLQIEISA-N 1 3 195.310 1.602 10 0 ADAEHO CC[C@H]([C@H](C[NH2+]C)C(C)C)N(C)C 259479628 573507099 /nfs/dbraw/zinc/50/70/99/573507099.db2.gz KODBOADLQBLUOP-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@H]([C@H](CNC)C(C)C)[NH+](C)C 259479628 573507106 /nfs/dbraw/zinc/50/71/06/573507106.db2.gz KODBOADLQBLUOP-GHMZBOCLSA-N 1 3 186.343 1.818 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H](N(C)C2CC2)C1 86599187 573507614 /nfs/dbraw/zinc/50/76/14/573507614.db2.gz BDBWOADKUQDUAT-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CCC[C@H]([N@H+](C)C(C)C)C1 86599007 573507638 /nfs/dbraw/zinc/50/76/38/573507638.db2.gz NNIKEAZTCKAHQR-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H]1CCC[C@H]([N@@H+](C)C(C)C)C1 86599007 573507645 /nfs/dbraw/zinc/50/76/45/573507645.db2.gz NNIKEAZTCKAHQR-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H](N(C)C(C)C)C1 86599007 573507651 /nfs/dbraw/zinc/50/76/51/573507651.db2.gz NNIKEAZTCKAHQR-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[C@@](N)(C[NH3+])CC1 83437696 573507700 /nfs/dbraw/zinc/50/77/00/573507700.db2.gz FDTYQPSHKGECDJ-MNOVXSKESA-N 1 3 184.327 1.879 10 0 ADAEHO CC[C@@H]1CCC[C@](N)(C[NH3+])CC1 83436006 573507774 /nfs/dbraw/zinc/50/77/74/573507774.db2.gz QXQPCIKRZDZXAV-NXEZZACHSA-N 1 3 170.300 1.633 10 0 ADAEHO CN[C@@H]1CCC[C@H]([NH+]2CCCC2)C1 86598834 573507813 /nfs/dbraw/zinc/50/78/13/573507813.db2.gz LCIFUSZDPXHTQO-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CCCCCNCC(C)(C)[NH2+]C 258707262 573507832 /nfs/dbraw/zinc/50/78/32/573507832.db2.gz RYVZGJYIBDDURO-UHFFFAOYSA-N 1 3 172.316 1.764 10 0 ADAEHO CC(C)[C@H]1C[C@@H](CN)C[N@@H+]1C1CC1 107229650 573511032 /nfs/dbraw/zinc/51/10/32/573511032.db2.gz XINMRWMIANKJPO-GXSJLCMTSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@H]1C[C@@H](CN)C[N@H+]1C1CC1 107229650 573511036 /nfs/dbraw/zinc/51/10/36/573511036.db2.gz XINMRWMIANKJPO-GXSJLCMTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[N@H+](C[C@@H](CN)C1CC1)C(C)(C)C 397410020 573509564 /nfs/dbraw/zinc/50/95/64/573509564.db2.gz NZTZROPOWAFHKM-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO C[N@@H+](C[C@@H](CN)C1CC1)C(C)(C)C 397410020 573509566 /nfs/dbraw/zinc/50/95/66/573509566.db2.gz NZTZROPOWAFHKM-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H]1C[C@H](CN)C[N@@H+]1C1CC1 107229645 573509590 /nfs/dbraw/zinc/50/95/90/573509590.db2.gz XINMRWMIANKJPO-MWLCHTKSSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@H]1C[C@H](CN)C[N@H+]1C1CC1 107229645 573509595 /nfs/dbraw/zinc/50/95/95/573509595.db2.gz XINMRWMIANKJPO-MWLCHTKSSA-N 1 3 182.311 1.454 10 0 ADAEHO Cc1noc([C@@H]2CCCN2C)c1C[NH3+] 257821964 573509713 /nfs/dbraw/zinc/50/97/13/573509713.db2.gz GFITYTBQDSEYKT-VIFPVBQESA-N 1 3 195.266 1.208 10 0 ADAEHO C[C@H](C[NH3+])Cc1ncc2ccccn12 259482007 573509733 /nfs/dbraw/zinc/50/97/33/573509733.db2.gz MPFFDLTWZWCUIX-VIFPVBQESA-N 1 3 189.262 1.472 10 0 ADAEHO C[C@H](N)c1coc([C@H]2CC[N@H+](C)C2)n1 258051218 573509812 /nfs/dbraw/zinc/50/98/12/573509812.db2.gz KXOUQFRJHXERSZ-YUMQZZPRSA-N 1 3 195.266 1.113 10 0 ADAEHO C[C@H](N)c1coc([C@H]2CC[N@@H+](C)C2)n1 258051218 573509815 /nfs/dbraw/zinc/50/98/15/573509815.db2.gz KXOUQFRJHXERSZ-YUMQZZPRSA-N 1 3 195.266 1.113 10 0 ADAEHO C[NH2+]C[C@H](CN1CCCCC1)C(C)C 258725654 573509941 /nfs/dbraw/zinc/50/99/41/573509941.db2.gz UOOZPCSOHQGBEF-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C[NH+]1CCCCC1)C(C)C 258725654 573509947 /nfs/dbraw/zinc/50/99/47/573509947.db2.gz UOOZPCSOHQGBEF-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1NC(C)(C)C[C@@H](C)[C@H]1[NH3+] 238420357 573510066 /nfs/dbraw/zinc/51/00/66/573510066.db2.gz VWHNOUAHLHNASH-GJMOJQLCSA-N 1 3 156.273 1.110 10 0 ADAEHO C[NH2+]C[C@@H](CNC1CC1)C(C)C 258719611 573510910 /nfs/dbraw/zinc/51/09/10/573510910.db2.gz UAXOZTYIUYWUGF-VIFPVBQESA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H](N)c1coc([C@@H]2CC[N@H+](C)C2)n1 258051208 573510929 /nfs/dbraw/zinc/51/09/29/573510929.db2.gz KXOUQFRJHXERSZ-HTQZYQBOSA-N 1 3 195.266 1.113 10 0 ADAEHO C[C@@H](N)c1coc([C@@H]2CC[N@@H+](C)C2)n1 258051208 573510935 /nfs/dbraw/zinc/51/09/35/573510935.db2.gz KXOUQFRJHXERSZ-HTQZYQBOSA-N 1 3 195.266 1.113 10 0 ADAEHO C[C@H]([NH3+])CNCC(C)(C)c1ccc[nH]1 258718742 573511381 /nfs/dbraw/zinc/51/13/81/573511381.db2.gz IUHZRFXUONKUMQ-VIFPVBQESA-N 1 3 195.310 1.229 10 0 ADAEHO C[C@@H](N)c1coc([C@H]2CC[N@H+](C)C2)n1 258051214 573511517 /nfs/dbraw/zinc/51/15/17/573511517.db2.gz KXOUQFRJHXERSZ-SFYZADRCSA-N 1 3 195.266 1.113 10 0 ADAEHO C[C@@H](N)c1coc([C@H]2CC[N@@H+](C)C2)n1 258051214 573511524 /nfs/dbraw/zinc/51/15/24/573511524.db2.gz KXOUQFRJHXERSZ-SFYZADRCSA-N 1 3 195.266 1.113 10 0 ADAEHO CN1CCC[NH2+]C(C)(C)CC1 259482621 573512849 /nfs/dbraw/zinc/51/28/49/573512849.db2.gz RMNJVPAIMKRYJY-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[C@@H](N)CC[NH2+]CCC1CCCC1 258724814 573512972 /nfs/dbraw/zinc/51/29/72/573512972.db2.gz JFHMZFMKGFKNMA-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO C[N@H+](C1CCC1)C(C)(C)CCN 258721468 573513491 /nfs/dbraw/zinc/51/34/91/573513491.db2.gz DKCCELXTIKJYDS-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@@H+](C1CCC1)C(C)(C)CCN 258721468 573513497 /nfs/dbraw/zinc/51/34/97/573513497.db2.gz DKCCELXTIKJYDS-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]1CCC[C@H]2C[C@@H]([NH3+])CCN21 238422707 573513693 /nfs/dbraw/zinc/51/36/93/573513693.db2.gz FBRHOTRQUZONNZ-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO CC1(C)C[C@H](N)CC[N@H+]1C1CC1 259484700 573517798 /nfs/dbraw/zinc/51/77/98/573517798.db2.gz ROZRAVGIYMMPMD-MRVPVSSYSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]([NH3+])CNCC(C)(C)c1ccc[nH]1 258718740 573515029 /nfs/dbraw/zinc/51/50/29/573515029.db2.gz IUHZRFXUONKUMQ-SECBINFHSA-N 1 3 195.310 1.229 10 0 ADAEHO C[NH2+]CC1([C@@H](N)C2CCC2)CC1 259486054 573515606 /nfs/dbraw/zinc/51/56/06/573515606.db2.gz PXRQNYYTTGKYOU-VIFPVBQESA-N 1 3 168.284 1.113 10 0 ADAEHO CNCC1([C@@H]([NH3+])C2CCC2)CC1 259486054 573515612 /nfs/dbraw/zinc/51/56/12/573515612.db2.gz PXRQNYYTTGKYOU-VIFPVBQESA-N 1 3 168.284 1.113 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]([C@H](F)CN)C1 257823163 573515724 /nfs/dbraw/zinc/51/57/24/573515724.db2.gz GNNBIKXUEDLNHV-NXEZZACHSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]([C@H](F)CN)C1 257823163 573515731 /nfs/dbraw/zinc/51/57/31/573515731.db2.gz GNNBIKXUEDLNHV-NXEZZACHSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]([C@@H](F)CN)C1 257823164 573515953 /nfs/dbraw/zinc/51/59/53/573515953.db2.gz GNNBIKXUEDLNHV-UWVGGRQHSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]([C@@H](F)CN)C1 257823164 573515954 /nfs/dbraw/zinc/51/59/54/573515954.db2.gz GNNBIKXUEDLNHV-UWVGGRQHSA-N 1 3 188.290 1.404 10 0 ADAEHO C[C@@H](c1ccc(C[NH3+])[nH]1)N1CCCC1 257822564 573516087 /nfs/dbraw/zinc/51/60/87/573516087.db2.gz GIONGDYQGQARAS-VIFPVBQESA-N 1 3 193.294 1.630 10 0 ADAEHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 308604697 573516258 /nfs/dbraw/zinc/51/62/58/573516258.db2.gz PHNNSRIAKDHKFH-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@H+](C)C(C)C)C1 86618430 573516415 /nfs/dbraw/zinc/51/64/15/573516415.db2.gz HPYULLMQPLICMG-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 86618430 573516417 /nfs/dbraw/zinc/51/64/17/573516417.db2.gz HPYULLMQPLICMG-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N(C)C(C)C)C1 86618430 573516422 /nfs/dbraw/zinc/51/64/22/573516422.db2.gz HPYULLMQPLICMG-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO F[C@@]1(CNC2CC2)CCC[NH2+]CC1 257822736 573516436 /nfs/dbraw/zinc/51/64/36/573516436.db2.gz GHKRLQXRTLMCJN-JTQLQIEISA-N 1 3 186.274 1.220 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N2CCCC2)C1 86618301 573516493 /nfs/dbraw/zinc/51/64/93/573516493.db2.gz FZTDZVLFIPLOSJ-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)[C@H]([C@H]1CCCNC1)[NH+](C)C 259483820 573516583 /nfs/dbraw/zinc/51/65/83/573516583.db2.gz KSWIEGLDBVDCHE-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO Cc1ccc([C@@H](N)C2CC([NH3+])C2)o1 259485145 573516622 /nfs/dbraw/zinc/51/66/22/573516622.db2.gz SNDZTDROXPZGTJ-KTOWXAHTSA-N 1 3 180.251 1.325 10 0 ADAEHO F[C@]1(CNC2CC2)CCC[NH2+]CC1 257822737 573516665 /nfs/dbraw/zinc/51/66/65/573516665.db2.gz GHKRLQXRTLMCJN-SNVBAGLBSA-N 1 3 186.274 1.220 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](N2CCCCC2)C1 86618446 573516677 /nfs/dbraw/zinc/51/66/77/573516677.db2.gz HCMRQHNQSFPIEH-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 86618446 573516681 /nfs/dbraw/zinc/51/66/81/573516681.db2.gz HCMRQHNQSFPIEH-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[NH2+]C[C@@H](CNC)C(C)C 258740491 573516845 /nfs/dbraw/zinc/51/68/45/573516845.db2.gz WDSITZMHMKJEMQ-SECBINFHSA-N 1 3 158.289 1.088 10 0 ADAEHO CCNC[C@@H](C[NH2+]C)C(C)C 258740491 573516852 /nfs/dbraw/zinc/51/68/52/573516852.db2.gz WDSITZMHMKJEMQ-SECBINFHSA-N 1 3 158.289 1.088 10 0 ADAEHO CC(C)[C@@H]([C@@H]1CCCNC1)[NH+](C)C 259483816 573516937 /nfs/dbraw/zinc/51/69/37/573516937.db2.gz KSWIEGLDBVDCHE-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N2CCCC2)C1 86618302 573516988 /nfs/dbraw/zinc/51/69/88/573516988.db2.gz FZTDZVLFIPLOSJ-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1 308604699 573517063 /nfs/dbraw/zinc/51/70/63/573517063.db2.gz PHNNSRIAKDHKFH-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N(C)C2CC2)C1 86618694 573517100 /nfs/dbraw/zinc/51/71/00/573517100.db2.gz SFWHVSDYLTXIJM-WCBMZHEXSA-N 1 3 168.284 1.221 10 0 ADAEHO CCCC[NH2+]C[C@H](CC)CNC 258738421 573517128 /nfs/dbraw/zinc/51/71/28/573517128.db2.gz VWIDGQPGAMSAQL-SNVBAGLBSA-N 1 3 172.316 1.622 10 0 ADAEHO C[NH2+]CC1([C@H](N)C2CCC2)CC1 259486053 573517343 /nfs/dbraw/zinc/51/73/43/573517343.db2.gz PXRQNYYTTGKYOU-SECBINFHSA-N 1 3 168.284 1.113 10 0 ADAEHO CNCC1([C@H]([NH3+])C2CCC2)CC1 259486053 573517346 /nfs/dbraw/zinc/51/73/46/573517346.db2.gz PXRQNYYTTGKYOU-SECBINFHSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H](c1ccc(C[NH3+])[nH]1)N1CCCC1 257822562 573517355 /nfs/dbraw/zinc/51/73/55/573517355.db2.gz GIONGDYQGQARAS-SECBINFHSA-N 1 3 193.294 1.630 10 0 ADAEHO CC(C)(CCN)[NH2+]CCC1CCC1 258734930 573517368 /nfs/dbraw/zinc/51/73/68/573517368.db2.gz FHKIOFIVCXWUID-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CN[C@@H]1CC[C@@H]([NH+]2CCC(C)CC2)C1 86618279 573517370 /nfs/dbraw/zinc/51/73/70/573517370.db2.gz NAHBUYDTCKLSAI-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](N2CCC(C)CC2)C1 86618279 573517374 /nfs/dbraw/zinc/51/73/74/573517374.db2.gz NAHBUYDTCKLSAI-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](C[C@H]1CNC[C@H](C)C1)C(C)C 308602920 573517484 /nfs/dbraw/zinc/51/74/84/573517484.db2.gz FMRLGNGCWYGGDU-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](C[C@H]1CNC[C@H](C)C1)C(C)C 308602920 573517493 /nfs/dbraw/zinc/51/74/93/573517493.db2.gz FMRLGNGCWYGGDU-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)(C)CC[NH2+]CC(C)(C)CN 258737840 573517629 /nfs/dbraw/zinc/51/76/29/573517629.db2.gz KQYLBQDSTWCIKQ-UHFFFAOYSA-N 1 3 186.343 1.997 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N(C)C2CC2)C1 86618692 573517653 /nfs/dbraw/zinc/51/76/53/573517653.db2.gz SFWHVSDYLTXIJM-WPRPVWTQSA-N 1 3 168.284 1.221 10 0 ADAEHO CC[N@H+](C[C@H]1CNC[C@@H](C)C1)C(C)C 308602918 573517769 /nfs/dbraw/zinc/51/77/69/573517769.db2.gz FMRLGNGCWYGGDU-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](C[C@H]1CNC[C@@H](C)C1)C(C)C 308602918 573517775 /nfs/dbraw/zinc/51/77/75/573517775.db2.gz FMRLGNGCWYGGDU-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC1(C)C[C@H]([NH3+])CCN1C1CC1 259484700 573517787 /nfs/dbraw/zinc/51/77/87/573517787.db2.gz ROZRAVGIYMMPMD-MRVPVSSYSA-N 1 3 168.284 1.351 10 0 ADAEHO CC1(C)C[C@H](N)CC[N@@H+]1C1CC1 259484700 573517792 /nfs/dbraw/zinc/51/77/92/573517792.db2.gz ROZRAVGIYMMPMD-MRVPVSSYSA-N 1 3 168.284 1.351 10 0 ADAEHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1 308604696 573517964 /nfs/dbraw/zinc/51/79/64/573517964.db2.gz PHNNSRIAKDHKFH-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO Cc1ccc([C@H](N)C2CC([NH3+])C2)o1 259485148 573518144 /nfs/dbraw/zinc/51/81/44/573518144.db2.gz SNDZTDROXPZGTJ-SFVIPPHHSA-N 1 3 180.251 1.325 10 0 ADAEHO CC1(C)C[C@@H]([NH3+])CCN1C1CC1 259484702 573518617 /nfs/dbraw/zinc/51/86/17/573518617.db2.gz ROZRAVGIYMMPMD-QMMMGPOBSA-N 1 3 168.284 1.351 10 0 ADAEHO CC1(C)C[C@@H](N)CC[N@@H+]1C1CC1 259484702 573518622 /nfs/dbraw/zinc/51/86/22/573518622.db2.gz ROZRAVGIYMMPMD-QMMMGPOBSA-N 1 3 168.284 1.351 10 0 ADAEHO CC1(C)C[C@@H](N)CC[N@H+]1C1CC1 259484702 573518626 /nfs/dbraw/zinc/51/86/26/573518626.db2.gz ROZRAVGIYMMPMD-QMMMGPOBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N(C)C(C)C)C1 86618431 573520417 /nfs/dbraw/zinc/52/04/17/573520417.db2.gz HPYULLMQPLICMG-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO CC(C)[C@@H]([C@H]1CCCNC1)[NH+](C)C 259483818 573519841 /nfs/dbraw/zinc/51/98/41/573519841.db2.gz KSWIEGLDBVDCHE-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H]1CC[C@@H]([NH+]2CCCC2)C1 86618294 573519894 /nfs/dbraw/zinc/51/98/94/573519894.db2.gz JKFCOSMNVSIJSB-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](N2CCCCC2)C1 86618444 573520469 /nfs/dbraw/zinc/52/04/69/573520469.db2.gz HCMRQHNQSFPIEH-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N2CCCC2)C1 86618294 573519898 /nfs/dbraw/zinc/51/98/98/573519898.db2.gz JKFCOSMNVSIJSB-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[N@H+](C[C@@H]1CNC[C@H](C)C1)C(C)C 308602917 573519950 /nfs/dbraw/zinc/51/99/50/573519950.db2.gz FMRLGNGCWYGGDU-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](C[C@@H]1CNC[C@H](C)C1)C(C)C 308602917 573519956 /nfs/dbraw/zinc/51/99/56/573519956.db2.gz FMRLGNGCWYGGDU-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[C@H]([N@H+](C)C(C)C)C1 86618431 573520405 /nfs/dbraw/zinc/52/04/05/573520405.db2.gz HPYULLMQPLICMG-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[C@H]([N@@H+](C)C(C)C)C1 86618431 573520409 /nfs/dbraw/zinc/52/04/09/573520409.db2.gz HPYULLMQPLICMG-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO C[C@H](N)C[C@@H]1CC(C)(C)CC[NH2+]1 238424643 573520198 /nfs/dbraw/zinc/52/01/98/573520198.db2.gz AZXKUQOVHAEHSA-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]([NH3+])C[C@@H]1CC(C)(C)CCN1 238424643 573520203 /nfs/dbraw/zinc/52/02/03/573520203.db2.gz AZXKUQOVHAEHSA-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO Cc1ccccc1CCNC[C@@H](C)[NH3+] 258736572 573520308 /nfs/dbraw/zinc/52/03/08/573520308.db2.gz KOTIFXWVBVNEPP-LLVKDONJSA-N 1 3 192.306 1.474 10 0 ADAEHO CN[C@@H]1CC[C@H]([NH+]2CCCCC2)C1 86618444 573520472 /nfs/dbraw/zinc/52/04/72/573520472.db2.gz HCMRQHNQSFPIEH-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+](C[C@@H]1CNC[C@@H](C)C1)C(C)C 308602919 573520362 /nfs/dbraw/zinc/52/03/62/573520362.db2.gz FMRLGNGCWYGGDU-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@@H+](C[C@@H]1CNC[C@@H](C)C1)C(C)C 308602919 573520367 /nfs/dbraw/zinc/52/03/67/573520367.db2.gz FMRLGNGCWYGGDU-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(C)[C@H]1CC[C@H]([NH2+]C)C1 86618664 573520888 /nfs/dbraw/zinc/52/08/88/573520888.db2.gz LWKQBILVRFNWLI-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@H]1CC[C@@H]([NH+]2CCC(C)CC2)C1 86618277 573520971 /nfs/dbraw/zinc/52/09/71/573520971.db2.gz NAHBUYDTCKLSAI-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N2CCC(C)CC2)C1 86618277 573520979 /nfs/dbraw/zinc/52/09/79/573520979.db2.gz NAHBUYDTCKLSAI-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[C@@H]([NH+]2CCCC2)C1 86618293 573521114 /nfs/dbraw/zinc/52/11/14/573521114.db2.gz JKFCOSMNVSIJSB-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](N2CCCC2)C1 86618293 573521120 /nfs/dbraw/zinc/52/11/20/573521120.db2.gz JKFCOSMNVSIJSB-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N2CCCC2)C1 86618303 573521258 /nfs/dbraw/zinc/52/12/58/573521258.db2.gz FZTDZVLFIPLOSJ-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[C@H](N)C[C@@H]1CCCC[NH2+]1 259485343 573521278 /nfs/dbraw/zinc/52/12/78/573521278.db2.gz SPLPPCQZYJDXMJ-UWVGGRQHSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@H]([NH3+])C[C@@H]1CCCCN1 259485343 573521284 /nfs/dbraw/zinc/52/12/84/573521284.db2.gz SPLPPCQZYJDXMJ-UWVGGRQHSA-N 1 3 170.300 1.646 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)C1(CN)CCC1 259489630 573521313 /nfs/dbraw/zinc/52/13/13/573521313.db2.gz RFWQQRJZIDPBBO-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO CC[N@H+](C)C(C)(C)CCN 258737626 573521333 /nfs/dbraw/zinc/52/13/33/573521333.db2.gz FNYAOERHBMZESV-UHFFFAOYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[N@@H+](C)C(C)(C)CCN 258737626 573521342 /nfs/dbraw/zinc/52/13/42/573521342.db2.gz FNYAOERHBMZESV-UHFFFAOYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCN(C)C(C)(C)CC[NH3+] 258737626 573521349 /nfs/dbraw/zinc/52/13/49/573521349.db2.gz FNYAOERHBMZESV-UHFFFAOYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N2CCCC2)C1 86618304 573523238 /nfs/dbraw/zinc/52/32/38/573523238.db2.gz FZTDZVLFIPLOSJ-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO C[NH2+]CCC[C@H](c1ccc[nH]1)N(C)C 259487550 573523295 /nfs/dbraw/zinc/52/32/95/573523295.db2.gz KZJIMCUDHPHGIO-LLVKDONJSA-N 1 3 195.310 1.617 10 0 ADAEHO CCC[C@H](N)C[C@H]1CCCC[NH2+]1 259485345 573525997 /nfs/dbraw/zinc/52/59/97/573525997.db2.gz SPLPPCQZYJDXMJ-VHSXEESVSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@H]([NH3+])C[C@H]1CCCCN1 259485345 573526004 /nfs/dbraw/zinc/52/60/04/573526004.db2.gz SPLPPCQZYJDXMJ-VHSXEESVSA-N 1 3 170.300 1.646 10 0 ADAEHO CN[C@@H]([C@@H]1CCCC[NH2+]1)C(C)(C)C 259486620 573524427 /nfs/dbraw/zinc/52/44/27/573524427.db2.gz QZYUAAMWYFKPKB-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H](N)C[C@@H]1CCC[N@@H+]1CCC1CC1 308613211 573524479 /nfs/dbraw/zinc/52/44/79/573524479.db2.gz ZACDPIHODMEDRJ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)C[C@@H]1CCC[N@H+]1CCC1CC1 308613211 573524487 /nfs/dbraw/zinc/52/44/87/573524487.db2.gz ZACDPIHODMEDRJ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO Cc1ccc(CC[NH2+]C[C@@H](C)N)o1 258747280 573524668 /nfs/dbraw/zinc/52/46/68/573524668.db2.gz LUUDYKGUIBQMOZ-MRVPVSSYSA-N 1 3 182.267 1.067 10 0 ADAEHO CN[C@H]([C@@H]1CCCC[NH2+]1)C(C)(C)C 259486622 573524777 /nfs/dbraw/zinc/52/47/77/573524777.db2.gz QZYUAAMWYFKPKB-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO CNCC1(C[NH2+]C(C)(C)C)CC1 258751226 573524918 /nfs/dbraw/zinc/52/49/18/573524918.db2.gz XBPIJEQZRBMZAI-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H](N)C[C@H]1CCC[N@@H+]1CCC1CC1 308613210 573524982 /nfs/dbraw/zinc/52/49/82/573524982.db2.gz ZACDPIHODMEDRJ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)C[C@H]1CCC[N@H+]1CCC1CC1 308613210 573524992 /nfs/dbraw/zinc/52/49/92/573524992.db2.gz ZACDPIHODMEDRJ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO Cc1ccc(CCNC[C@H](C)[NH3+])cc1 258745376 573525123 /nfs/dbraw/zinc/52/51/23/573525123.db2.gz LLDALJSVWNWNKM-NSHDSACASA-N 1 3 192.306 1.474 10 0 ADAEHO C[C@@H](CCN1CCCC1)[NH2+]CC1CC1 308605922 573525233 /nfs/dbraw/zinc/52/52/33/573525233.db2.gz BTRVHDNIRRIVFO-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO Cc1ccc([C@H](N)C[C@@H]2CC[NH2+]C2)o1 259486947 573525459 /nfs/dbraw/zinc/52/54/59/573525459.db2.gz SQLBNRJMLRAKOJ-VHSXEESVSA-N 1 3 194.278 1.587 10 0 ADAEHO CC(C)(CN)C[NH2+]CC1CCCC1 258747064 573525463 /nfs/dbraw/zinc/52/54/63/573525463.db2.gz LRYUNUVGHSAIGI-UHFFFAOYSA-N 1 3 184.327 1.751 10 0 ADAEHO Cc1ccc(CC[NH2+]C[C@H](C)N)o1 258747284 573525489 /nfs/dbraw/zinc/52/54/89/573525489.db2.gz LUUDYKGUIBQMOZ-QMMMGPOBSA-N 1 3 182.267 1.067 10 0 ADAEHO CCC[C@@H](N)C[C@H]1CCCC[NH2+]1 259485342 573525894 /nfs/dbraw/zinc/52/58/94/573525894.db2.gz SPLPPCQZYJDXMJ-NXEZZACHSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@@H]([NH3+])C[C@H]1CCCCN1 259485342 573525902 /nfs/dbraw/zinc/52/59/02/573525902.db2.gz SPLPPCQZYJDXMJ-NXEZZACHSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@H](N(C)C)C(C)(C)C[NH3+] 259489473 573525926 /nfs/dbraw/zinc/52/59/26/573525926.db2.gz LCEOZWZGVKBOCG-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)(CN)[C@H]([NH3+])C1CCC1 259485338 573526109 /nfs/dbraw/zinc/52/61/09/573526109.db2.gz SPLDWMVTELWAHW-MRVPVSSYSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)(CC[NH3+])NCc1ccc[nH]1 258744808 573526248 /nfs/dbraw/zinc/52/62/48/573526248.db2.gz FZWUMBUDKAKMDF-UHFFFAOYSA-N 1 3 181.283 1.232 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)C1(CN)CCC1 259489632 573526423 /nfs/dbraw/zinc/52/64/23/573526423.db2.gz RFWQQRJZIDPBBO-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO NCC1([C@H]([NH3+])c2ccccc2)CC1 259491835 573529571 /nfs/dbraw/zinc/52/95/71/573529571.db2.gz QIUWODWHPOKSNG-SNVBAGLBSA-N 1 3 176.263 1.425 10 0 ADAEHO Cc1ccccc1[C@@H](N)[C@@H](C)C[NH3+] 259488515 573529908 /nfs/dbraw/zinc/52/99/08/573529908.db2.gz SSVTUEYQAXAUMR-ONGXEEELSA-N 1 3 178.279 1.590 10 0 ADAEHO C[C@H]1C[C@@H](CN2CCCCC2)C[NH2+]1 258051547 573530359 /nfs/dbraw/zinc/53/03/59/573530359.db2.gz DCHOMGIWJXTTBB-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO Cc1ccc(CCNC[C@@H](C)[NH3+])cc1 258745374 573527387 /nfs/dbraw/zinc/52/73/87/573527387.db2.gz LLDALJSVWNWNKM-LLVKDONJSA-N 1 3 192.306 1.474 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H](CN)C1(C)C 259491560 573527791 /nfs/dbraw/zinc/52/77/91/573527791.db2.gz SCZRVFFEHAKSOO-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H](CN)C1(C)C 259491560 573527798 /nfs/dbraw/zinc/52/77/98/573527798.db2.gz SCZRVFFEHAKSOO-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1ccccc1[C@@H](N)[C@H](C)C[NH3+] 259488512 573528064 /nfs/dbraw/zinc/52/80/64/573528064.db2.gz SSVTUEYQAXAUMR-KOLCDFICSA-N 1 3 178.279 1.590 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCNC(C)(C)C1 258758356 573528146 /nfs/dbraw/zinc/52/81/46/573528146.db2.gz JBACVILQSZQSPD-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCNC(C)(C)C1 258758356 573528149 /nfs/dbraw/zinc/52/81/49/573528149.db2.gz JBACVILQSZQSPD-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@@H]1CC[NH2+]C(C)(C)C1 258758356 573528155 /nfs/dbraw/zinc/52/81/55/573528155.db2.gz JBACVILQSZQSPD-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CN1CCC[C@@H]2CC[NH2+]CC[C@@H]21 107331411 573528405 /nfs/dbraw/zinc/52/84/05/573528405.db2.gz YRBJNSRKHCTNQL-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H](CNC)C(C)C 258759283 573528429 /nfs/dbraw/zinc/52/84/29/573528429.db2.gz XPRKZXJWUFLKJG-QWRGUYRKSA-N 1 3 186.343 1.866 10 0 ADAEHO CC[C@@H](N)C1(C[NH2+]C)CCC1 259491651 573528458 /nfs/dbraw/zinc/52/84/58/573528458.db2.gz QHEYHXVJMNQXTL-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H](N)C[C@H]1CC(C)(C)CC[NH2+]1 238426485 573528468 /nfs/dbraw/zinc/52/84/68/573528468.db2.gz AZXKUQOVHAEHSA-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]([NH3+])C[C@H]1CC(C)(C)CCN1 238426485 573528474 /nfs/dbraw/zinc/52/84/74/573528474.db2.gz AZXKUQOVHAEHSA-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]1C[C@@H](CN2CCCCC2)C[NH2+]1 258051539 573528498 /nfs/dbraw/zinc/52/84/98/573528498.db2.gz DCHOMGIWJXTTBB-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CN1CC[C@H]([NH3+])CC12CCCC2 107331398 573528684 /nfs/dbraw/zinc/52/86/84/573528684.db2.gz AEEBCEPEYSDIFD-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CN[C@@H](CC[NH3+])c1cccc(OC)c1 259489219 573529506 /nfs/dbraw/zinc/52/95/06/573529506.db2.gz QCONWNDIVCFAIA-NSHDSACASA-N 1 3 194.278 1.305 10 0 ADAEHO CN[C@H](CC[NH3+])c1cccc(OC)c1 259489218 573529587 /nfs/dbraw/zinc/52/95/87/573529587.db2.gz QCONWNDIVCFAIA-LLVKDONJSA-N 1 3 194.278 1.305 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H](CNC)C(C)C 258759279 573529679 /nfs/dbraw/zinc/52/96/79/573529679.db2.gz XPRKZXJWUFLKJG-GHMZBOCLSA-N 1 3 186.343 1.866 10 0 ADAEHO CCC(CC)C[NH2+]C[C@H](C)[C@@H](C)N 130421621 573529796 /nfs/dbraw/zinc/52/97/96/573529796.db2.gz BTTHDVPAWUZGQT-VHSXEESVSA-N 1 3 186.343 1.996 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C(C)C)C1(C)C 259491546 573530036 /nfs/dbraw/zinc/53/00/36/573530036.db2.gz SCRDGMBLLIAWCK-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C(C)C)C1(C)C 259491546 573530046 /nfs/dbraw/zinc/53/00/46/573530046.db2.gz SCRDGMBLLIAWCK-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1C[C@H](CN2CCCCC2)C[NH2+]1 258051545 573530247 /nfs/dbraw/zinc/53/02/47/573530247.db2.gz DCHOMGIWJXTTBB-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CN2CCCC[C@@H]2CC[NH2+]1 107331416 573530757 /nfs/dbraw/zinc/53/07/57/573530757.db2.gz UXBNGOSEKZAXIZ-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO CNCC1(C[NH2+]C(C)C)CCC1 258753427 573530782 /nfs/dbraw/zinc/53/07/82/573530782.db2.gz XDTMOUKFQNOHFR-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO C[NH2+]CC1(CNC(C)C)CCC1 258753427 573530789 /nfs/dbraw/zinc/53/07/89/573530789.db2.gz XDTMOUKFQNOHFR-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO C[NH2+]CC1([C@@H](C2CCC2)N(C)C)CC1 259490829 573530806 /nfs/dbraw/zinc/53/08/06/573530806.db2.gz LDKQXHQLIFUVQQ-LLVKDONJSA-N 1 3 196.338 1.716 10 0 ADAEHO CNCC1([C@@H](C2CCC2)[NH+](C)C)CC1 259490829 573530812 /nfs/dbraw/zinc/53/08/12/573530812.db2.gz LDKQXHQLIFUVQQ-LLVKDONJSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]CC1([C@H](C2CCC2)N(C)C)CC1 259490833 573531117 /nfs/dbraw/zinc/53/11/17/573531117.db2.gz LDKQXHQLIFUVQQ-NSHDSACASA-N 1 3 196.338 1.716 10 0 ADAEHO CNCC1([C@H](C2CCC2)[NH+](C)C)CC1 259490833 573531127 /nfs/dbraw/zinc/53/11/27/573531127.db2.gz LDKQXHQLIFUVQQ-NSHDSACASA-N 1 3 196.338 1.716 10 0 ADAEHO Cc1ccsc1CCNC[C@@H](C)[NH3+] 258681953 573531281 /nfs/dbraw/zinc/53/12/81/573531281.db2.gz DVASEMITENUYOQ-SECBINFHSA-N 1 3 198.335 1.536 10 0 ADAEHO Cc1ccccc1[C@H](N)[C@@H](C)C[NH3+] 259488510 573531296 /nfs/dbraw/zinc/53/12/96/573531296.db2.gz SSVTUEYQAXAUMR-GXSJLCMTSA-N 1 3 178.279 1.590 10 0 ADAEHO CN1CCCC[C@@H]1C1(C[NH3+])CC1 107331419 573531888 /nfs/dbraw/zinc/53/18/88/573531888.db2.gz KHFDHEQCHZJFMV-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CNC[C@@H]1C[N@@H+](C(C)C)C(C)(C)C1 259493286 573535193 /nfs/dbraw/zinc/53/51/93/573535193.db2.gz SHDZAUKIALDASB-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC(CC)C[NH2+]C[C@@H](C)[C@@H](C)N 130421428 573532733 /nfs/dbraw/zinc/53/27/33/573532733.db2.gz BTTHDVPAWUZGQT-NXEZZACHSA-N 1 3 186.343 1.996 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCNC(C)(C)C1 258758349 573532861 /nfs/dbraw/zinc/53/28/61/573532861.db2.gz JBACVILQSZQSPD-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCNC(C)(C)C1 258758349 573532865 /nfs/dbraw/zinc/53/28/65/573532865.db2.gz JBACVILQSZQSPD-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@H]1CC[NH2+]C(C)(C)C1 258758349 573532868 /nfs/dbraw/zinc/53/28/68/573532868.db2.gz JBACVILQSZQSPD-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO Cc1ccsc1CCNC[C@H](C)[NH3+] 258681956 573533095 /nfs/dbraw/zinc/53/30/95/573533095.db2.gz DVASEMITENUYOQ-VIFPVBQESA-N 1 3 198.335 1.536 10 0 ADAEHO CC[C@@H](CNC)[C@@H]([NH2+]C)C(C)(C)C 259104959 573533181 /nfs/dbraw/zinc/53/31/81/573533181.db2.gz FGUDAQAALTXRMN-VHSXEESVSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@@H]([NH3+])CCCNCc1ccccn1 258753965 573533202 /nfs/dbraw/zinc/53/32/02/573533202.db2.gz OLHZEABXRXHLIJ-SNVBAGLBSA-N 1 3 193.294 1.299 10 0 ADAEHO C[C@H]([NH3+])CCCNCc1ccccn1 258753962 573533677 /nfs/dbraw/zinc/53/36/77/573533677.db2.gz OLHZEABXRXHLIJ-JTQLQIEISA-N 1 3 193.294 1.299 10 0 ADAEHO CNC[C@H]1C[N@H+](C(C)C)C(C)(C)C1 259493285 573533911 /nfs/dbraw/zinc/53/39/11/573533911.db2.gz SHDZAUKIALDASB-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H]1C[N@@H+](C(C)C)C(C)(C)C1 259493285 573533918 /nfs/dbraw/zinc/53/39/18/573533918.db2.gz SHDZAUKIALDASB-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@H](CNC)C(C)C 258759287 573534168 /nfs/dbraw/zinc/53/41/68/573534168.db2.gz XPRKZXJWUFLKJG-WDEREUQCSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CCC1CCC1 258756891 573534254 /nfs/dbraw/zinc/53/42/54/573534254.db2.gz MPZNBZDXGLKAOC-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CCC1CCC1 258756891 573534259 /nfs/dbraw/zinc/53/42/59/573534259.db2.gz MPZNBZDXGLKAOC-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)CCC1CCC1 258756891 573534263 /nfs/dbraw/zinc/53/42/63/573534263.db2.gz MPZNBZDXGLKAOC-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H]([C@@H](CN)C(C)C)[NH+](C)C 259495860 573534284 /nfs/dbraw/zinc/53/42/84/573534284.db2.gz LLXYKJYBJMYDDH-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[C@@H]([C@@H](C[NH3+])C(C)C)N(C)C 259495860 573534291 /nfs/dbraw/zinc/53/42/91/573534291.db2.gz LLXYKJYBJMYDDH-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@H](CN)C[N@H+](C)CCC1CCC1 258756894 573534439 /nfs/dbraw/zinc/53/44/39/573534439.db2.gz MPZNBZDXGLKAOC-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)CCC1CCC1 258756894 573534445 /nfs/dbraw/zinc/53/44/45/573534445.db2.gz MPZNBZDXGLKAOC-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](C[NH3+])CN(C)CCC1CCC1 258756894 573534449 /nfs/dbraw/zinc/53/44/49/573534449.db2.gz MPZNBZDXGLKAOC-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CNC)[C@H]([NH2+]C)C(C)(C)C 259104954 573534681 /nfs/dbraw/zinc/53/46/81/573534681.db2.gz FGUDAQAALTXRMN-UWVGGRQHSA-N 1 3 186.343 1.866 10 0 ADAEHO CN[C@@H](CCC[NH3+])c1ccccc1F 259493509 573534748 /nfs/dbraw/zinc/53/47/48/573534748.db2.gz RNEYUIREPHJIKA-NSHDSACASA-N 1 3 196.269 1.825 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H](CNC)C(C)C 258759281 573534779 /nfs/dbraw/zinc/53/47/79/573534779.db2.gz XPRKZXJWUFLKJG-MNOVXSKESA-N 1 3 186.343 1.866 10 0 ADAEHO Cc1ccc([C@@H](N)CCC[NH3+])o1 259494556 573534894 /nfs/dbraw/zinc/53/48/94/573534894.db2.gz TZKDPCYCLVULEG-QMMMGPOBSA-N 1 3 168.240 1.327 10 0 ADAEHO CNC[C@@H]1C[N@H+](C(C)C)C(C)(C)C1 259493286 573535187 /nfs/dbraw/zinc/53/51/87/573535187.db2.gz SHDZAUKIALDASB-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC[C@H]([C@H](CN)C(C)C)[NH+](C)C 259495855 573535855 /nfs/dbraw/zinc/53/58/55/573535855.db2.gz LLXYKJYBJMYDDH-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[C@H]([C@H](C[NH3+])C(C)C)N(C)C 259495855 573535860 /nfs/dbraw/zinc/53/58/60/573535860.db2.gz LLXYKJYBJMYDDH-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CNCC[C@H](C)[NH2+]CC1CCCC1 323176131 573536044 /nfs/dbraw/zinc/53/60/44/573536044.db2.gz YERKFCHBYAAMMF-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H]([NH3+])C[C@H](N)C(C)(C)C 259105498 573539945 /nfs/dbraw/zinc/53/99/45/573539945.db2.gz BDEXHARGJLXGJP-RQJHMYQMSA-N 1 3 144.262 1.097 10 0 ADAEHO CCC[C@H]([C@@H](CN)C(C)C)[NH+](C)C 259495862 573538334 /nfs/dbraw/zinc/53/83/34/573538334.db2.gz LLXYKJYBJMYDDH-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[C@H]([C@@H](C[NH3+])C(C)C)N(C)C 259495862 573538339 /nfs/dbraw/zinc/53/83/39/573538339.db2.gz LLXYKJYBJMYDDH-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CN[C@H](C[C@@H]1CCC[NH2+]1)C1CCC1 259493523 573538484 /nfs/dbraw/zinc/53/84/84/573538484.db2.gz RNLMVGMUDMQDSC-WDEREUQCSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]([NH3+])CCNCCc1cccs1 258761001 573538711 /nfs/dbraw/zinc/53/87/11/573538711.db2.gz NFOIOEKACFCTEN-VIFPVBQESA-N 1 3 198.335 1.618 10 0 ADAEHO COc1ccc(C[NH3+])cc1[C@H](C)N 257829477 573538749 /nfs/dbraw/zinc/53/87/49/573538749.db2.gz IXNYTBHQZVJNTR-ZETCQYMHSA-N 1 3 180.251 1.174 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C[C@@H]2CCCCN2)C1 238434061 573538881 /nfs/dbraw/zinc/53/88/81/573538881.db2.gz SSKMWVBCROYACS-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCN[C@H](C[C@@H]2CCCC[NH2+]2)C1 238434061 573538885 /nfs/dbraw/zinc/53/88/85/573538885.db2.gz SSKMWVBCROYACS-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]([C@H](CN)C(C)C)[NH+](C)C 259495858 573538970 /nfs/dbraw/zinc/53/89/70/573538970.db2.gz LLXYKJYBJMYDDH-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CCC[C@@H]([C@H](C[NH3+])C(C)C)N(C)C 259495858 573538977 /nfs/dbraw/zinc/53/89/77/573538977.db2.gz LLXYKJYBJMYDDH-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](C[NH3+])CNC/C=C/C1CC1 393585542 573539073 /nfs/dbraw/zinc/53/90/73/573539073.db2.gz DBRIYRBLOHKDHO-HPOULIHZSA-N 1 3 168.284 1.137 10 0 ADAEHO CN[C@@H](C[C@@H]1CCC[NH2+]1)C1CCC1 259493522 573539299 /nfs/dbraw/zinc/53/92/99/573539299.db2.gz RNLMVGMUDMQDSC-QWRGUYRKSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](C[NH3+])CNC/C=C\C1CC1 393585543 573540216 /nfs/dbraw/zinc/54/02/16/573540216.db2.gz DBRIYRBLOHKDHO-PKRMOACSSA-N 1 3 168.284 1.137 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)CCC1(C)C 259499858 573540943 /nfs/dbraw/zinc/54/09/43/573540943.db2.gz SVRKAYMGMCKJSX-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CNCC[C@@H]([NH2+]C)c1sccc1C 259501406 573540481 /nfs/dbraw/zinc/54/04/81/573540481.db2.gz QXZCWSIBZMEKJV-SECBINFHSA-N 1 3 198.335 1.927 10 0 ADAEHO C[N@H+]1C[C@@H](CN)CCC1(C)C 259499858 573540948 /nfs/dbraw/zinc/54/09/48/573540948.db2.gz SVRKAYMGMCKJSX-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CCc1ccc[nH]1 258769782 573540560 /nfs/dbraw/zinc/54/05/60/573540560.db2.gz NVXGWEHABMQIPA-JTQLQIEISA-N 1 3 195.310 1.226 10 0 ADAEHO CN1C[C@@H](C[NH3+])CCC1(C)C 259499858 573540952 /nfs/dbraw/zinc/54/09/52/573540952.db2.gz SVRKAYMGMCKJSX-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[NH2+][C@@H](CC(C)(C)N)C1CCCC1 259497764 573540843 /nfs/dbraw/zinc/54/08/43/573540843.db2.gz RVIAUJAOXDIJRM-JTQLQIEISA-N 1 3 184.327 1.892 10 0 ADAEHO CNCC[C@H]([NH2+]C)c1sccc1C 259501408 573540997 /nfs/dbraw/zinc/54/09/97/573540997.db2.gz QXZCWSIBZMEKJV-VIFPVBQESA-N 1 3 198.335 1.927 10 0 ADAEHO C[C@H]1CN(C2CC2)CCCC[NH2+]1 259501526 573541808 /nfs/dbraw/zinc/54/18/08/573541808.db2.gz SYJAZUCUZMUAEV-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1C[N@@H+](C2CC2)CCCCN1 259501526 573541813 /nfs/dbraw/zinc/54/18/13/573541813.db2.gz SYJAZUCUZMUAEV-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1C[N@H+](C2CC2)CCCCN1 259501526 573541815 /nfs/dbraw/zinc/54/18/15/573541815.db2.gz SYJAZUCUZMUAEV-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CN(C2CC2)CCCC[NH2+]1 259501525 573543268 /nfs/dbraw/zinc/54/32/68/573543268.db2.gz SYJAZUCUZMUAEV-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CC2)CCCCN1 259501525 573543273 /nfs/dbraw/zinc/54/32/73/573543273.db2.gz SYJAZUCUZMUAEV-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH2+][C@H](CC(C)(C)N)C1CCCC1 259497766 573542901 /nfs/dbraw/zinc/54/29/01/573542901.db2.gz RVIAUJAOXDIJRM-SNVBAGLBSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](N)C(C)(C)C 259105495 573542935 /nfs/dbraw/zinc/54/29/35/573542935.db2.gz BDEXHARGJLXGJP-RNFRBKRXSA-N 1 3 144.262 1.097 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CCc1ccc[nH]1 258769784 573543009 /nfs/dbraw/zinc/54/30/09/573543009.db2.gz NVXGWEHABMQIPA-SNVBAGLBSA-N 1 3 195.310 1.226 10 0 ADAEHO Cc1cccc([C@@H]([NH3+])C(C)(C)CN)c1 259500822 573543022 /nfs/dbraw/zinc/54/30/22/573543022.db2.gz UMFGBAXJPNSUJN-LLVKDONJSA-N 1 3 192.306 1.980 10 0 ADAEHO C[C@@H](C[NH3+])CNC/C=C\C1CC1 393585544 573543155 /nfs/dbraw/zinc/54/31/55/573543155.db2.gz DBRIYRBLOHKDHO-XADBCAIWSA-N 1 3 168.284 1.137 10 0 ADAEHO C[C@@H]1C[N@H+](C2CC2)CCCCN1 259501525 573543278 /nfs/dbraw/zinc/54/32/78/573543278.db2.gz SYJAZUCUZMUAEV-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])Cc2ccccc2[C@@H]1N 238434977 573543369 /nfs/dbraw/zinc/54/33/69/573543369.db2.gz FRWBOACTSWAYIY-PPKCKEKNSA-N 1 3 176.263 1.206 10 0 ADAEHO CCC[NH2+]CC[C@H]1CCCCN1 258770052 573543484 /nfs/dbraw/zinc/54/34/84/573543484.db2.gz PTIXLESMOYEHJF-SNVBAGLBSA-N 1 3 170.300 1.518 10 0 ADAEHO CCC[NH2+]CC[C@@H]1CCCCN1 258770049 573543516 /nfs/dbraw/zinc/54/35/16/573543516.db2.gz PTIXLESMOYEHJF-JTQLQIEISA-N 1 3 170.300 1.518 10 0 ADAEHO C[C@H](C[NH3+])CNC/C=C/C1CC1 393585541 573543923 /nfs/dbraw/zinc/54/39/23/573543923.db2.gz DBRIYRBLOHKDHO-GKQMSVHHSA-N 1 3 168.284 1.137 10 0 ADAEHO CC(C)C[C@@H](N)C[C@H]1CCCC[NH2+]1 259500737 573544018 /nfs/dbraw/zinc/54/40/18/573544018.db2.gz ULQICBCLRNKCBN-GHMZBOCLSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@@H]([NH3+])C[C@H]1CCCCN1 259500737 573544021 /nfs/dbraw/zinc/54/40/21/573544021.db2.gz ULQICBCLRNKCBN-GHMZBOCLSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)CCCN(C)CC1C[NH2+]C1 258767961 573544171 /nfs/dbraw/zinc/54/41/71/573544171.db2.gz ALDXBNDIDLARJV-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)CCC[N@H+](C)CC1CNC1 258767961 573544177 /nfs/dbraw/zinc/54/41/77/573544177.db2.gz ALDXBNDIDLARJV-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO CC(C)CCC[N@@H+](C)CC1CNC1 258767961 573544181 /nfs/dbraw/zinc/54/41/81/573544181.db2.gz ALDXBNDIDLARJV-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO Cc1cccc([C@H]([NH3+])C(C)(C)CN)c1 259500824 573544981 /nfs/dbraw/zinc/54/49/81/573544981.db2.gz UMFGBAXJPNSUJN-NSHDSACASA-N 1 3 192.306 1.980 10 0 ADAEHO CCN(CC)Cc1cc(C[NH3+])ccn1 257824751 573545220 /nfs/dbraw/zinc/54/52/20/573545220.db2.gz GXRDOPRJIAPLFW-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CC(C)C[C@H](N)C[C@H]1CCCC[NH2+]1 259500745 573545273 /nfs/dbraw/zinc/54/52/73/573545273.db2.gz ULQICBCLRNKCBN-WDEREUQCSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@H]([NH3+])C[C@H]1CCCCN1 259500745 573545277 /nfs/dbraw/zinc/54/52/77/573545277.db2.gz ULQICBCLRNKCBN-WDEREUQCSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]([C@@H]1CCCNC1)[NH+]1CCCC1 86658727 573545815 /nfs/dbraw/zinc/54/58/15/573545815.db2.gz ZFFSOZIQGXJXJG-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H](CNC)C[NH2+][C@H](C)CC 258768542 573547091 /nfs/dbraw/zinc/54/70/91/573547091.db2.gz YNRPQCOPVKCJID-NXEZZACHSA-N 1 3 172.316 1.620 10 0 ADAEHO C1CC[NH+]([C@@H]2CCNC3(CCC3)C2)C1 86658719 573547246 /nfs/dbraw/zinc/54/72/46/573547246.db2.gz TWXNILNPKFPNKB-LLVKDONJSA-N 1 3 194.322 1.757 10 0 ADAEHO C1CC[NH+]([C@H]2CCNC3(CCC3)C2)C1 86658720 573547653 /nfs/dbraw/zinc/54/76/53/573547653.db2.gz TWXNILNPKFPNKB-NSHDSACASA-N 1 3 194.322 1.757 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H](CC)CNC 258768548 573547694 /nfs/dbraw/zinc/54/76/94/573547694.db2.gz YNRPQCOPVKCJID-VHSXEESVSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@@H]([NH2+][C@@H](C)C1CNC1)C1CC1 686246954 573547975 /nfs/dbraw/zinc/54/79/75/573547975.db2.gz NTQONJXWCCLBOX-JOYOIKCWSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](N)C(C)(C)C 259502735 573548006 /nfs/dbraw/zinc/54/80/06/573548006.db2.gz RATYIMQXGSDZJA-RKDXNWHRSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@@H](CN)[C@H](C(C)C)[NH+](C)C 259502506 573548021 /nfs/dbraw/zinc/54/80/21/573548021.db2.gz LUIFZIVBWUYPBN-UWVGGRQHSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[NH+]1CCCC1 86658726 573548166 /nfs/dbraw/zinc/54/81/66/573548166.db2.gz ZFFSOZIQGXJXJG-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]([C@H]1CCCNC1)[NH+]1CCCC1 86658729 573549145 /nfs/dbraw/zinc/54/91/45/573549145.db2.gz ZFFSOZIQGXJXJG-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO [NH3+]CC[C@]1(c2cccc(F)c2)CCN1 258406558 573548683 /nfs/dbraw/zinc/54/86/83/573548683.db2.gz ZKILVNXYYBLKBH-LLVKDONJSA-N 1 3 194.253 1.363 10 0 ADAEHO [NH3+]CCCc1ncc2ccc(F)cn12 257826272 573548845 /nfs/dbraw/zinc/54/88/45/573548845.db2.gz HNIGPAQYHDLRQJ-UHFFFAOYSA-N 1 3 193.225 1.365 10 0 ADAEHO CCOCCC[N@H+](CC)CCCN 83550230 573548902 /nfs/dbraw/zinc/54/89/02/573548902.db2.gz PILFYQOKZOTONK-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCOCCC[N@@H+](CC)CCCN 83550230 573548908 /nfs/dbraw/zinc/54/89/08/573548908.db2.gz PILFYQOKZOTONK-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCOCCCN(CC)CCC[NH3+] 83550230 573548914 /nfs/dbraw/zinc/54/89/14/573548914.db2.gz PILFYQOKZOTONK-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCCC[C@H]2N)C1 86663144 573551752 /nfs/dbraw/zinc/55/17/52/573551752.db2.gz KDHIJVMPIJAERP-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCCC[C@@H]2N)C1 86663138 573550334 /nfs/dbraw/zinc/55/03/34/573550334.db2.gz WYEYTWMUXVUTOL-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](CNC)C[NH2+][C@@H](C)CC 258768544 573550404 /nfs/dbraw/zinc/55/04/04/573550404.db2.gz YNRPQCOPVKCJID-UWVGGRQHSA-N 1 3 172.316 1.620 10 0 ADAEHO CN(C)[C@H]1CC[NH2+]C2(CCC2)C1 86662832 573550405 /nfs/dbraw/zinc/55/04/05/573550405.db2.gz HDCBXFIJQBIXQL-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH+](C)[C@H]1CCNC2(CCC2)C1 86662832 573550410 /nfs/dbraw/zinc/55/04/10/573550410.db2.gz HDCBXFIJQBIXQL-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CCC1CN([C@@H](C)[C@H]2CCC[NH2+]C2)C1 86663291 573550424 /nfs/dbraw/zinc/55/04/24/573550424.db2.gz DKEQYRWKKLROSL-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC1C[NH+]([C@@H](C)[C@H]2CCCNC2)C1 86663291 573550431 /nfs/dbraw/zinc/55/04/31/573550431.db2.gz DKEQYRWKKLROSL-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CNC)C[NH2+][C@H](C)CC 258768552 573550433 /nfs/dbraw/zinc/55/04/33/573550433.db2.gz YNRPQCOPVKCJID-ZJUUUORDSA-N 1 3 172.316 1.620 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@@H]1N 86663154 573550487 /nfs/dbraw/zinc/55/04/87/573550487.db2.gz QQCXDTONDCLBRY-KXUCPTDWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@@H]1N 86663154 573550492 /nfs/dbraw/zinc/55/04/92/573550492.db2.gz QQCXDTONDCLBRY-KXUCPTDWSA-N 1 3 168.284 1.351 10 0 ADAEHO [NH3+]C[C@H](Nc1ccncc1)C1CC1 83565678 573550511 /nfs/dbraw/zinc/55/05/11/573550511.db2.gz XVBAIJFNYYQQCW-JTQLQIEISA-N 1 3 177.251 1.231 10 0 ADAEHO CC1C[NH+]([C@H]2CCCC[C@@H]2N)C1 86663147 573550639 /nfs/dbraw/zinc/55/06/39/573550639.db2.gz ILZQBBGMISPKFC-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO CCCC1C[NH+](C2CCNCC2)C1 86662934 573551072 /nfs/dbraw/zinc/55/10/72/573551072.db2.gz DRPNNZOFAOCOES-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[C@@H]([NH2+][C@H](C)C1CNC1)C1CC1 686246952 573551083 /nfs/dbraw/zinc/55/10/83/573551083.db2.gz NTQONJXWCCLBOX-BXKDBHETSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 86663203 573551127 /nfs/dbraw/zinc/55/11/27/573551127.db2.gz MOPSWIZYJCUIKU-ULKQDVFKSA-N 1 3 168.284 1.267 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](N)C(C)(C)C 259502731 573551169 /nfs/dbraw/zinc/55/11/69/573551169.db2.gz RATYIMQXGSDZJA-DTWKUNHWSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](N)C(C)(C)C 259502733 573551207 /nfs/dbraw/zinc/55/12/07/573551207.db2.gz RATYIMQXGSDZJA-IUCAKERBSA-N 1 3 172.316 1.605 10 0 ADAEHO [NH3+]C[C@@H](Nc1ccncc1)C1CC1 83565679 573551218 /nfs/dbraw/zinc/55/12/18/573551218.db2.gz XVBAIJFNYYQQCW-SNVBAGLBSA-N 1 3 177.251 1.231 10 0 ADAEHO CCC1(CC)C[NH+](C2CCNCC2)C1 86662936 573551260 /nfs/dbraw/zinc/55/12/60/573551260.db2.gz HAJXEBNUTZUOBZ-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC1C[NH+]([C@H]2CCCC[C@H]2N)C1 86663145 573551278 /nfs/dbraw/zinc/55/12/78/573551278.db2.gz KDHIJVMPIJAERP-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 86662808 573551311 /nfs/dbraw/zinc/55/13/11/573551311.db2.gz AMHVZSRKSGAUHU-WDEREUQCSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 86662808 573551315 /nfs/dbraw/zinc/55/13/15/573551315.db2.gz AMHVZSRKSGAUHU-WDEREUQCSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H]1CCNC2(CCC2)C1 86662808 573551319 /nfs/dbraw/zinc/55/13/19/573551319.db2.gz AMHVZSRKSGAUHU-WDEREUQCSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@@H]1[C@@H]2CCC[C@@H]2[NH2+]CCN1C 238438209 573551480 /nfs/dbraw/zinc/55/14/80/573551480.db2.gz UKVVIKJZHSFKPP-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[C@@H]2CCC[C@@H]2NCC[N@@H+]1C 238438209 573551485 /nfs/dbraw/zinc/55/14/85/573551485.db2.gz UKVVIKJZHSFKPP-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[C@@H]2CCC[C@@H]2NCC[N@H+]1C 238438209 573551491 /nfs/dbraw/zinc/55/14/91/573551491.db2.gz UKVVIKJZHSFKPP-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H](CN)[C@H](C(C)C)[NH+](C)C 259502508 573551518 /nfs/dbraw/zinc/55/15/18/573551518.db2.gz LUIFZIVBWUYPBN-ZJUUUORDSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@H]([C@@H]1CCCNC1)[NH+]1CCCCC1 86663282 573551815 /nfs/dbraw/zinc/55/18/15/573551815.db2.gz BWZARMZAICLBNR-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO [NH3+][C@H]1CNCC[C@H]1Cc1ccccc1 223674695 573551891 /nfs/dbraw/zinc/55/18/91/573551891.db2.gz AQIMFLQVFRYESV-RYUDHWBXSA-N 1 3 190.290 1.166 10 0 ADAEHO C[C@@H]1CC[C@@H](C[C@@H]2CCCCN2)[NH2+]C1 238437631 573552035 /nfs/dbraw/zinc/55/20/35/573552035.db2.gz TVWQKHPNUULLSL-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H](C[C@@H]2CCCC[NH2+]2)NC1 238437631 573552039 /nfs/dbraw/zinc/55/20/39/573552039.db2.gz TVWQKHPNUULLSL-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCC[N@@H+]1CCCNCC[C@@H]1C 259504986 573554619 /nfs/dbraw/zinc/55/46/19/573554619.db2.gz TYUHBXCTMFFEMZ-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCCC[C@H]2N)C1 86663141 573552053 /nfs/dbraw/zinc/55/20/53/573552053.db2.gz WYEYTWMUXVUTOL-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](N)C(C)(C)C 259502730 573552089 /nfs/dbraw/zinc/55/20/89/573552089.db2.gz RATYIMQXGSDZJA-BDAKNGLRSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@H]1CCN1C[C@@H]1CCC[NH2+]C1 86663249 573552116 /nfs/dbraw/zinc/55/21/16/573552116.db2.gz ZPJJTFQDHGDFSL-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC1CN(C[C@H]2CCC[NH2+]C2)C1 86663243 573552145 /nfs/dbraw/zinc/55/21/45/573552145.db2.gz LHMHINDFPZDEBY-NSHDSACASA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@H](CN)[C@@H](C(C)C)[NH+](C)C 259502504 573552169 /nfs/dbraw/zinc/55/21/69/573552169.db2.gz LUIFZIVBWUYPBN-NXEZZACHSA-N 1 3 172.316 1.558 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCc1cc[nH]c1 259120978 573552281 /nfs/dbraw/zinc/55/22/81/573552281.db2.gz YIYWYTBLIRLGOW-SNVBAGLBSA-N 1 3 195.310 1.132 10 0 ADAEHO CCC1CN(C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 86663197 573552304 /nfs/dbraw/zinc/55/23/04/573552304.db2.gz QFINYVDTHPDSJG-FOSCPWQOSA-N 1 3 194.322 1.611 10 0 ADAEHO CCCC[N@H+]1CCCNCC[C@@H]1C 259504986 573554626 /nfs/dbraw/zinc/55/46/26/573554626.db2.gz TYUHBXCTMFFEMZ-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@@H](CN)[C@@H](C(C)C)[NH+](C)C 259502507 573552395 /nfs/dbraw/zinc/55/23/95/573552395.db2.gz LUIFZIVBWUYPBN-VHSXEESVSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CC[C@H]1C 86663301 573552401 /nfs/dbraw/zinc/55/24/01/573552401.db2.gz IVGAIEOMSOAXFF-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[N@@H+]1CC[C@H]1C 86663301 573552406 /nfs/dbraw/zinc/55/24/06/573552406.db2.gz IVGAIEOMSOAXFF-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[N@H+]1CC[C@H]1C 86663301 573552412 /nfs/dbraw/zinc/55/24/12/573552412.db2.gz IVGAIEOMSOAXFF-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1CN([C@@H](C)[C@H]2CCC[NH2+]C2)C1 86663295 573552568 /nfs/dbraw/zinc/55/25/68/573552568.db2.gz VOXROWDEBZHVSX-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1C[NH+]([C@@H](C)[C@H]2CCCNC2)C1 86663295 573552574 /nfs/dbraw/zinc/55/25/74/573552574.db2.gz VOXROWDEBZHVSX-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C1CN(C2CC([NH3+])C2)C1 86662785 573552787 /nfs/dbraw/zinc/55/27/87/573552787.db2.gz ZIIHCCFLDYSOEI-UHFFFAOYSA-N 1 3 168.284 1.064 10 0 ADAEHO CCC1C[NH+]([C@H]2CCCC[C@@H]2N)C1 86663143 573553054 /nfs/dbraw/zinc/55/30/54/573553054.db2.gz KDHIJVMPIJAERP-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C)[C@@H]1CC[NH2+]C2(CCC2)C1 86662831 573553093 /nfs/dbraw/zinc/55/30/93/573553093.db2.gz HDCBXFIJQBIXQL-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH+](C)[C@@H]1CCNC2(CCC2)C1 86662831 573553100 /nfs/dbraw/zinc/55/31/00/573553100.db2.gz HDCBXFIJQBIXQL-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC1C[NH+]([C@H]2CCCC[C@H]2N)C1 86663149 573553228 /nfs/dbraw/zinc/55/32/28/573553228.db2.gz ILZQBBGMISPKFC-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[NH+]1CCCCC1 86663281 573553306 /nfs/dbraw/zinc/55/33/06/573553306.db2.gz BWZARMZAICLBNR-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]([NH3+])CCC(=O)C1CCN(C)CC1 259119902 573553359 /nfs/dbraw/zinc/55/33/59/573553359.db2.gz IQKKWEOQZSGJOY-VIFPVBQESA-N 1 3 198.310 1.025 10 0 ADAEHO CC(C)[C@@H](C[NH3+])Nc1ccncc1 83569014 573553386 /nfs/dbraw/zinc/55/33/86/573553386.db2.gz GPXXNVYBELGKKX-SNVBAGLBSA-N 1 3 179.267 1.477 10 0 ADAEHO CCC1CN([C@H](C)[C@H]2CCC[NH2+]C2)C1 86663292 573553453 /nfs/dbraw/zinc/55/34/53/573553453.db2.gz DKEQYRWKKLROSL-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC1C[NH+]([C@H](C)[C@H]2CCCNC2)C1 86663292 573553460 /nfs/dbraw/zinc/55/34/60/573553460.db2.gz DKEQYRWKKLROSL-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCC[NH2+]C1 86663248 573553532 /nfs/dbraw/zinc/55/35/32/573553532.db2.gz ZPJJTFQDHGDFSL-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)C1CN(C[C@H]2CCC[NH2+]C2)C1 86663255 573553588 /nfs/dbraw/zinc/55/35/88/573553588.db2.gz JELOHMWWWKXRAN-NSHDSACASA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)C1C[NH+](C[C@H]2CCCNC2)C1 86663255 573553593 /nfs/dbraw/zinc/55/35/93/573553593.db2.gz JELOHMWWWKXRAN-NSHDSACASA-N 1 3 196.338 1.574 10 0 ADAEHO CC1C[NH+]([C@@H]2CCCC[C@H]2N)C1 86663148 573553610 /nfs/dbraw/zinc/55/36/10/573553610.db2.gz ILZQBBGMISPKFC-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@H](C[NH3+])Nc1ccncc1 83569016 573554578 /nfs/dbraw/zinc/55/45/78/573554578.db2.gz GPXXNVYBELGKKX-JTQLQIEISA-N 1 3 179.267 1.477 10 0 ADAEHO CC1CN([C@@H]2CC[NH2+]C3(CCC3)C2)C1 86662805 573553862 /nfs/dbraw/zinc/55/38/62/573553862.db2.gz JGPBWBVGJBHYPV-LLVKDONJSA-N 1 3 194.322 1.613 10 0 ADAEHO CC1C[NH+]([C@@H]2CCNC3(CCC3)C2)C1 86662805 573553870 /nfs/dbraw/zinc/55/38/70/573553870.db2.gz JGPBWBVGJBHYPV-LLVKDONJSA-N 1 3 194.322 1.613 10 0 ADAEHO CC(C)(C)C1CN(C2CC([NH3+])C2)C1 86662791 573553889 /nfs/dbraw/zinc/55/38/89/573553889.db2.gz BPCYQDXSYGDMPT-UHFFFAOYSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)[C@@H]2CCC[C@@H]2CN1 82385545 573553920 /nfs/dbraw/zinc/55/39/20/573553920.db2.gz VOBYQMWAXKZAKH-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)[C@@H]2CCC[C@@H]2CN1 82385545 573553923 /nfs/dbraw/zinc/55/39/23/573553923.db2.gz VOBYQMWAXKZAKH-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1CN(C)[C@@H]2CCC[C@@H]2C[NH2+]1 82385545 573553929 /nfs/dbraw/zinc/55/39/29/573553929.db2.gz VOBYQMWAXKZAKH-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO CC1C[NH+]([C@@H]2CCCC[C@@H]2N)C1 86663146 573553959 /nfs/dbraw/zinc/55/39/59/573553959.db2.gz ILZQBBGMISPKFC-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]([NH3+])CCC(=O)C1CCN(C)CC1 259119896 573553982 /nfs/dbraw/zinc/55/39/82/573553982.db2.gz IQKKWEOQZSGJOY-SECBINFHSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 86662807 573553990 /nfs/dbraw/zinc/55/39/90/573553990.db2.gz AMHVZSRKSGAUHU-GHMZBOCLSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 86662807 573553996 /nfs/dbraw/zinc/55/39/96/573553996.db2.gz AMHVZSRKSGAUHU-GHMZBOCLSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCNC2(CCC2)C1 86662807 573554002 /nfs/dbraw/zinc/55/40/02/573554002.db2.gz AMHVZSRKSGAUHU-GHMZBOCLSA-N 1 3 194.322 1.755 10 0 ADAEHO CC(C)(C[NH3+])C[C@@H](N)c1ccccn1 259120285 573554047 /nfs/dbraw/zinc/55/40/47/573554047.db2.gz BYOOTJAVXSUROP-SECBINFHSA-N 1 3 193.294 1.456 10 0 ADAEHO CC1CN([C@H](C)[C@H]2CCC[NH2+]C2)C1 86663296 573554092 /nfs/dbraw/zinc/55/40/92/573554092.db2.gz VOXROWDEBZHVSX-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC1C[NH+]([C@H](C)[C@H]2CCCNC2)C1 86663296 573554097 /nfs/dbraw/zinc/55/40/97/573554097.db2.gz VOXROWDEBZHVSX-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)[C@H]2CCC[C@@H]2CN1 82385546 573554223 /nfs/dbraw/zinc/55/42/23/573554223.db2.gz VOBYQMWAXKZAKH-UTUOFQBUSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)[C@H]2CCC[C@@H]2CN1 82385546 573554225 /nfs/dbraw/zinc/55/42/25/573554225.db2.gz VOBYQMWAXKZAKH-UTUOFQBUSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@H]1CN(C)[C@H]2CCC[C@@H]2C[NH2+]1 82385546 573554230 /nfs/dbraw/zinc/55/42/30/573554230.db2.gz VOBYQMWAXKZAKH-UTUOFQBUSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCc1cc[nH]c1 259120971 573554248 /nfs/dbraw/zinc/55/42/48/573554248.db2.gz YIYWYTBLIRLGOW-JTQLQIEISA-N 1 3 195.310 1.132 10 0 ADAEHO COc1ccc([C@H](N)C[C@@H](C)[NH3+])cc1 259505730 573554261 /nfs/dbraw/zinc/55/42/61/573554261.db2.gz UTGROECPGSKIIC-LDYMZIIASA-N 1 3 194.278 1.432 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCCC[C@@H]2N)C1 86663139 573554322 /nfs/dbraw/zinc/55/43/22/573554322.db2.gz WYEYTWMUXVUTOL-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)(C[NH3+])C[C@H](N)c1ccccn1 259120287 573554334 /nfs/dbraw/zinc/55/43/34/573554334.db2.gz BYOOTJAVXSUROP-VIFPVBQESA-N 1 3 193.294 1.456 10 0 ADAEHO COc1ccc([C@H](N)C[C@H](C)[NH3+])cc1 259505725 573554383 /nfs/dbraw/zinc/55/43/83/573554383.db2.gz UTGROECPGSKIIC-GZMMTYOYSA-N 1 3 194.278 1.432 10 0 ADAEHO CC(C)(C)C1C[NH+](C2CCNCC2)C1 86662943 573554406 /nfs/dbraw/zinc/55/44/06/573554406.db2.gz YYDWLBQGVJZJQZ-UHFFFAOYSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)(C)C1CN(C2CC[NH2+]CC2)C1 86662943 573554407 /nfs/dbraw/zinc/55/44/07/573554407.db2.gz YYDWLBQGVJZJQZ-UHFFFAOYSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCCC[C@H]2N)C1 86663140 573555583 /nfs/dbraw/zinc/55/55/83/573555583.db2.gz WYEYTWMUXVUTOL-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+]C[C@@H]1CCC(C)(C)N(C)C1 259508690 573562163 /nfs/dbraw/zinc/56/21/63/573562163.db2.gz UHYJDFMDQUFXHO-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC1(C)CC[C@@H]1NC[C@](C)([NH3+])C1CC1 308620220 573556640 /nfs/dbraw/zinc/55/66/40/573556640.db2.gz SUXBCIKMQGVCGG-JQWIXIFHSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)(CN)[NH+]1CC2(CCCC2)C1 86678101 573556805 /nfs/dbraw/zinc/55/68/05/573556805.db2.gz OQXSQRQNJKFIOQ-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CC1(C)C[NH+]([C@@H]2CCCCC[C@H]2N)C1 86678616 573557606 /nfs/dbraw/zinc/55/76/06/573557606.db2.gz QEFUPMPYZCGLCK-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)(C)C1C[NH+]([C@H]2CCC[C@H]2N)C1 86678334 573557625 /nfs/dbraw/zinc/55/76/25/573557625.db2.gz BVAPHWVSUIHXAU-MNOVXSKESA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CCN1Cc1ccccc1C[NH3+] 86678030 573557754 /nfs/dbraw/zinc/55/77/54/573557754.db2.gz AWSFZFUSAQGYLK-SNVBAGLBSA-N 1 3 190.290 1.740 10 0 ADAEHO CC(C)[C@@H](CN)[NH+]1CC2(CC2)C1 86679795 573557782 /nfs/dbraw/zinc/55/77/82/573557782.db2.gz ILBKLSCMPGKISE-SECBINFHSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1CC[C@@H](C2CCCC2)[C@H]1C[NH3+] 257830571 573557796 /nfs/dbraw/zinc/55/77/96/573557796.db2.gz JHMKWOMIMFRCAY-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCC[C@H]2N)C1 86678259 573557818 /nfs/dbraw/zinc/55/78/18/573557818.db2.gz AVNHZDVXHRDRLB-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CC2(CC2)C1 86679895 573557930 /nfs/dbraw/zinc/55/79/30/573557930.db2.gz GNWKVMGORKNZIF-VHSXEESVSA-N 1 3 180.295 1.210 10 0 ADAEHO F[C@@H]1CCNC[C@@H]1C[NH+]1CCCC1 257830607 573558020 /nfs/dbraw/zinc/55/80/20/573558020.db2.gz JIVCASMNNVVGHG-NXEZZACHSA-N 1 3 186.274 1.030 10 0 ADAEHO F[C@@H]1CC[NH2+]C[C@@H]1CN1CCCC1 257830607 573558026 /nfs/dbraw/zinc/55/80/26/573558026.db2.gz JIVCASMNNVVGHG-NXEZZACHSA-N 1 3 186.274 1.030 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCC[C@@H]2CN)C1 86679819 573558185 /nfs/dbraw/zinc/55/81/85/573558185.db2.gz RQESAVSEQQDPDP-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC1CN([C@H]2CCC[C@@H]2C[NH3+])C1 86679819 573558189 /nfs/dbraw/zinc/55/81/89/573558189.db2.gz RQESAVSEQQDPDP-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CN(C2(C[NH3+])CCCC2)C1 86679161 573561597 /nfs/dbraw/zinc/56/15/97/573561597.db2.gz ITCIRJPYEDKEFZ-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO F[C@H]1CCNC[C@H]1C[NH+]1CCCC1 257830608 573558217 /nfs/dbraw/zinc/55/82/17/573558217.db2.gz JIVCASMNNVVGHG-UWVGGRQHSA-N 1 3 186.274 1.030 10 0 ADAEHO F[C@H]1CC[NH2+]C[C@H]1CN1CCCC1 257830608 573558224 /nfs/dbraw/zinc/55/82/24/573558224.db2.gz JIVCASMNNVVGHG-UWVGGRQHSA-N 1 3 186.274 1.030 10 0 ADAEHO CC1(C)CC[C@H]1NC[C@@](C)([NH3+])C1CC1 308620222 573558338 /nfs/dbraw/zinc/55/83/38/573558338.db2.gz SUXBCIKMQGVCGG-ZYHUDNBSSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)CN([C@@H]2CCC[C@@H]2C[NH3+])C1 86679908 573558396 /nfs/dbraw/zinc/55/83/96/573558396.db2.gz UUZCMJPUCOSJEQ-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO F[C@@H]1CCNC[C@H]1C[NH+]1CCCC1 257830609 573558425 /nfs/dbraw/zinc/55/84/25/573558425.db2.gz JIVCASMNNVVGHG-VHSXEESVSA-N 1 3 186.274 1.030 10 0 ADAEHO F[C@@H]1CC[NH2+]C[C@H]1CN1CCCC1 257830609 573558432 /nfs/dbraw/zinc/55/84/32/573558432.db2.gz JIVCASMNNVVGHG-VHSXEESVSA-N 1 3 186.274 1.030 10 0 ADAEHO CCCC[N@@H+]1CCCNCC[C@H]1C 259504981 573558438 /nfs/dbraw/zinc/55/84/38/573558438.db2.gz TYUHBXCTMFFEMZ-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+]1CCCNCC[C@H]1C 259504981 573558442 /nfs/dbraw/zinc/55/84/42/573558442.db2.gz TYUHBXCTMFFEMZ-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCC[C@H]2N)C1 86678257 573558459 /nfs/dbraw/zinc/55/84/59/573558459.db2.gz AVNHZDVXHRDRLB-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CN([C@H]2CCC[C@@H]2C[NH3+])C1 86679910 573558646 /nfs/dbraw/zinc/55/86/46/573558646.db2.gz UUZCMJPUCOSJEQ-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1C[NH+]([C@@H]2CCC[C@H]2CN)C1 86679838 573559461 /nfs/dbraw/zinc/55/94/61/573559461.db2.gz YBWVSCYDFVLMCY-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN([C@@H]2CCC[C@H]2C[NH3+])C1 86679838 573559466 /nfs/dbraw/zinc/55/94/66/573559466.db2.gz YBWVSCYDFVLMCY-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[NH2+]CC1(CN2CCCC2)CC1 258781614 573558845 /nfs/dbraw/zinc/55/88/45/573558845.db2.gz ZRGNVOHTXGSWKD-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO CNCC1(C[NH+]2CCCC2)CC1 258781614 573558851 /nfs/dbraw/zinc/55/88/51/573558851.db2.gz ZRGNVOHTXGSWKD-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO CC(C)C1C[NH+]([C@@H]2CCC[C@@H]2N)C1 86678300 573558865 /nfs/dbraw/zinc/55/88/65/573558865.db2.gz FXPBCQOHPHOWDV-WDEREUQCSA-N 1 3 182.311 1.454 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CC2(CCC2)C1 86679884 573559081 /nfs/dbraw/zinc/55/90/81/573559081.db2.gz USMKZHZARKDCLL-QWRGUYRKSA-N 1 3 194.322 1.600 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCC[C@@H]2N)C1 86678255 573559108 /nfs/dbraw/zinc/55/91/08/573559108.db2.gz AVNHZDVXHRDRLB-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CC[C@H]([C@@]2(C)[NH2+]C(C)(C)CO2)C1 258781406 573559172 /nfs/dbraw/zinc/55/91/72/573559172.db2.gz XFFNNHSJYUKWHA-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1[C@H]([NH3+])Cc2ccccc2[C@@H]1N 238440213 573559193 /nfs/dbraw/zinc/55/91/93/573559193.db2.gz FRWBOACTSWAYIY-WHGOUJPWSA-N 1 3 176.263 1.206 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCC[C@H]2CN)C1 86679829 573559306 /nfs/dbraw/zinc/55/93/06/573559306.db2.gz UCWUQXUYKCDNBV-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](N)C[NH+]1CC(C(C)C)C1 86678969 573559448 /nfs/dbraw/zinc/55/94/48/573559448.db2.gz MSPNVDNJVGHCKL-JTQLQIEISA-N 1 3 170.300 1.312 10 0 ADAEHO NC[C@H](C1CC1)[NH+]1CC2(CCC2)C1 86679589 573562165 /nfs/dbraw/zinc/56/21/65/573562165.db2.gz OBOGANXFBGCIQU-SNVBAGLBSA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@H]1N1CC2(CC2)C1 86679893 573561026 /nfs/dbraw/zinc/56/10/26/573561026.db2.gz GNWKVMGORKNZIF-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO CCCC[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 308623121 573560763 /nfs/dbraw/zinc/56/07/63/573560763.db2.gz XQUOQXAVAKMJQG-VXGBXAGGSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCC[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 308623121 573560770 /nfs/dbraw/zinc/56/07/70/573560770.db2.gz XQUOQXAVAKMJQG-VXGBXAGGSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@H]1CCN1C1(C[NH3+])CCCC1 86679169 573560786 /nfs/dbraw/zinc/56/07/86/573560786.db2.gz VUMPZKFHUAOGJH-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CN1CC[C@H](C2CCCC2)[C@H]1C[NH3+] 257830567 573560856 /nfs/dbraw/zinc/56/08/56/573560856.db2.gz JHMKWOMIMFRCAY-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH2+][C@@H](C[C@H]1CCCCN1)C(C)C 259614277 573560864 /nfs/dbraw/zinc/56/08/64/573560864.db2.gz YOVMUSGJNPJNNB-MNOVXSKESA-N 1 3 184.327 1.763 10 0 ADAEHO CN1CC[C@H](C2CCCC2)[C@@H]1C[NH3+] 257830568 573560928 /nfs/dbraw/zinc/56/09/28/573560928.db2.gz JHMKWOMIMFRCAY-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)C[N@H+](C)C[C@@H]1CCCN[C@H]1C 308623098 573560932 /nfs/dbraw/zinc/56/09/32/573560932.db2.gz XLXXDBJYBNIRTA-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@@H]1CCCN[C@H]1C 308623098 573560935 /nfs/dbraw/zinc/56/09/35/573560935.db2.gz XLXXDBJYBNIRTA-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@H]1N1CC2(CCC2)C1 86679877 573560953 /nfs/dbraw/zinc/56/09/53/573560953.db2.gz USMKZHZARKDCLL-GHMZBOCLSA-N 1 3 194.322 1.600 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@@H]1N1CC2(CCC2)C1 86679882 573561627 /nfs/dbraw/zinc/56/16/27/573561627.db2.gz USMKZHZARKDCLL-MNOVXSKESA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@H]([NH3+])CCN1CC2(CCCCC2)C1 86678212 573561403 /nfs/dbraw/zinc/56/14/03/573561403.db2.gz DDQIGJHHFWIPCU-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[NH2+]C[C@H]1CCC(C)(C)N(C)C1 259508688 573561411 /nfs/dbraw/zinc/56/14/11/573561411.db2.gz UHYJDFMDQUFXHO-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC1(C)C[NH+]([C@@H]2CCCCC[C@@H]2N)C1 86678612 573561438 /nfs/dbraw/zinc/56/14/38/573561438.db2.gz QEFUPMPYZCGLCK-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CC[C@H]([C@]2(C)[NH2+]C(C)(C)CO2)C1 258781372 573561444 /nfs/dbraw/zinc/56/14/44/573561444.db2.gz XFFNNHSJYUKWHA-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO C1C[NH2+]C[C@H](CCN2CC3(CC3)C2)C1 86678735 573561571 /nfs/dbraw/zinc/56/15/71/573561571.db2.gz LXEOTUODWWDGDR-NSHDSACASA-N 1 3 194.322 1.472 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCC[C@H]2N)C1 86678265 573562139 /nfs/dbraw/zinc/56/21/39/573562139.db2.gz AVMLSJGCRRNVBK-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO CCCC[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 308623118 573561932 /nfs/dbraw/zinc/56/19/32/573561932.db2.gz XQUOQXAVAKMJQG-NEPJUHHUSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCC[N@H+]1C[C@H]2CCC[C@]2(CN)C1 308623118 573561937 /nfs/dbraw/zinc/56/19/37/573561937.db2.gz XQUOQXAVAKMJQG-NEPJUHHUSA-N 1 3 196.338 1.847 10 0 ADAEHO CC1C[NH+]([C@@H]2CCCCC[C@H]2N)C1 86678535 573561958 /nfs/dbraw/zinc/56/19/58/573561958.db2.gz IRKOODKTQBKQKG-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CCCC[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 308623119 573561991 /nfs/dbraw/zinc/56/19/91/573561991.db2.gz XQUOQXAVAKMJQG-NWDGAFQWSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCC[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 308623119 573561994 /nfs/dbraw/zinc/56/19/94/573561994.db2.gz XQUOQXAVAKMJQG-NWDGAFQWSA-N 1 3 196.338 1.847 10 0 ADAEHO CN1CC[C@@H]([C@@]2(C)[NH2+]C(C)(C)CO2)C1 258781382 573562067 /nfs/dbraw/zinc/56/20/67/573562067.db2.gz XFFNNHSJYUKWHA-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO CC1C[NH+]([C@@H]2CCC[C@@H]2CN)C1 86679833 573562775 /nfs/dbraw/zinc/56/27/75/573562775.db2.gz YBWVSCYDFVLMCY-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)C1C[NH+]([C@@H]2CCC[C@H]2N)C1 86678304 573562201 /nfs/dbraw/zinc/56/22/01/573562201.db2.gz FXPBCQOHPHOWDV-GHMZBOCLSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)C[NH+]([C@H]2CCCCC[C@@H]2N)C1 86678614 573562217 /nfs/dbraw/zinc/56/22/17/573562217.db2.gz QEFUPMPYZCGLCK-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)C1C[NH+]([C@H]2CCC[C@@H]2CN)C1 86679871 573562347 /nfs/dbraw/zinc/56/23/47/573562347.db2.gz PEFDYHYQMMZSQE-PWSUYJOCSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(=O)CC[C@H]([NH3+])C1CCN(C)CC1 259509736 573562348 /nfs/dbraw/zinc/56/23/48/573562348.db2.gz RLLKZXNQKCLUMD-NSHDSACASA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H](N)[C@@H]1CCCC[N@H+](C)C1 107399569 573562396 /nfs/dbraw/zinc/56/23/96/573562396.db2.gz IGVUGHFXTUWLRQ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](N)[C@@H]1CCCC[N@@H+](C)C1 107399569 573562399 /nfs/dbraw/zinc/56/23/99/573562399.db2.gz IGVUGHFXTUWLRQ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]([NH3+])[C@@H]1CCCCN(C)C1 107399569 573562402 /nfs/dbraw/zinc/56/24/02/573562402.db2.gz IGVUGHFXTUWLRQ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1CN([C@@H]2CCC[C@@H]2C[NH3+])C1 86679833 573562782 /nfs/dbraw/zinc/56/27/82/573562782.db2.gz YBWVSCYDFVLMCY-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC1C[NH+]([C@H]2CCC[C@H]2N)C1 86678267 573562472 /nfs/dbraw/zinc/56/24/72/573562472.db2.gz AVMLSJGCRRNVBK-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(C)C1C[NH+]([C@@H]2CCC[C@H]2N)C1 86678332 573562577 /nfs/dbraw/zinc/56/25/77/573562577.db2.gz BVAPHWVSUIHXAU-GHMZBOCLSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(=O)CC[C@@H]([NH3+])C1CCN(C)CC1 259509734 573562614 /nfs/dbraw/zinc/56/26/14/573562614.db2.gz RLLKZXNQKCLUMD-LLVKDONJSA-N 1 3 198.310 1.025 10 0 ADAEHO C[NH2+][C@H](C[C@H]1CCCCN1)C(C)C 259614276 573562635 /nfs/dbraw/zinc/56/26/35/573562635.db2.gz YOVMUSGJNPJNNB-GHMZBOCLSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1C[NH+]([C@H]2CCCCC[C@@H]2N)C1 86678533 573562650 /nfs/dbraw/zinc/56/26/50/573562650.db2.gz IRKOODKTQBKQKG-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO C1C[NH2+]C[C@@H](CCN2CC3(CC3)C2)C1 86678732 573562724 /nfs/dbraw/zinc/56/27/24/573562724.db2.gz LXEOTUODWWDGDR-LLVKDONJSA-N 1 3 194.322 1.472 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCC[C@@H]2N)C1 86678253 573563010 /nfs/dbraw/zinc/56/30/10/573563010.db2.gz AVNHZDVXHRDRLB-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1C1(C[NH3+])CCCC1 86679167 573563118 /nfs/dbraw/zinc/56/31/18/573563118.db2.gz VUMPZKFHUAOGJH-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CC1C[NH+]([C@@H]2CCCCC[C@@H]2N)C1 86678531 573563141 /nfs/dbraw/zinc/56/31/41/573563141.db2.gz IRKOODKTQBKQKG-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CC2(CCC2)C1 86679880 573563172 /nfs/dbraw/zinc/56/31/72/573563172.db2.gz USMKZHZARKDCLL-WDEREUQCSA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@@H]1CN 86679849 573563270 /nfs/dbraw/zinc/56/32/70/573563270.db2.gz RSFNIHXDGOHKNX-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]1CN 86679849 573563278 /nfs/dbraw/zinc/56/32/78/573563278.db2.gz RSFNIHXDGOHKNX-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[NH+]([C@H]2CCCCC[C@H]2N)C1 86678618 573563325 /nfs/dbraw/zinc/56/33/25/573563325.db2.gz QEFUPMPYZCGLCK-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CC1C[NH+]([C@H]2CCC[C@H]2CN)C1 86679840 573563372 /nfs/dbraw/zinc/56/33/72/573563372.db2.gz YBWVSCYDFVLMCY-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN([C@H]2CCC[C@H]2C[NH3+])C1 86679840 573563377 /nfs/dbraw/zinc/56/33/77/573563377.db2.gz YBWVSCYDFVLMCY-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC1CN(CC[C@H](C)[NH3+])C1 86678195 573563555 /nfs/dbraw/zinc/56/35/55/573563555.db2.gz KFMZPHSNKVAUSR-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC1C[NH+]([C@H]2CCC[C@@H]2N)C1 86678263 573564373 /nfs/dbraw/zinc/56/43/73/573564373.db2.gz AVMLSJGCRRNVBK-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CN([C@@H]2CCC[C@H]2C[NH3+])C1 86679912 573563809 /nfs/dbraw/zinc/56/38/09/573563809.db2.gz UUZCMJPUCOSJEQ-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO NC[C@@H](C1CC1)[NH+]1CC2(CCC2)C1 86679587 573564017 /nfs/dbraw/zinc/56/40/17/573564017.db2.gz OBOGANXFBGCIQU-JTQLQIEISA-N 1 3 180.295 1.210 10 0 ADAEHO CC(C)C1C[NH+]([C@@H]2CCC[C@H]2CN)C1 86679873 573564091 /nfs/dbraw/zinc/56/40/91/573564091.db2.gz PEFDYHYQMMZSQE-CMPLNLGQSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)[C@H]1CCCC[N@H+](C)C1 107399572 573564259 /nfs/dbraw/zinc/56/42/59/573564259.db2.gz IGVUGHFXTUWLRQ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)C1C[NH+]([C@@H]2CCC[C@@H]2CN)C1 86679869 573564260 /nfs/dbraw/zinc/56/42/60/573564260.db2.gz PEFDYHYQMMZSQE-ZYHUDNBSSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)[C@H]1CCCC[N@@H+](C)C1 107399572 573564264 /nfs/dbraw/zinc/56/42/64/573564264.db2.gz IGVUGHFXTUWLRQ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]([NH3+])[C@H]1CCCCN(C)C1 107399572 573564270 /nfs/dbraw/zinc/56/42/70/573564270.db2.gz IGVUGHFXTUWLRQ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](N)C[NH+]1CC(C(C)(C)C)C1 86678844 573564315 /nfs/dbraw/zinc/56/43/15/573564315.db2.gz AVHILPRTEVSRLC-QMMMGPOBSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[N@H+](C)C[C@H]1CCCN[C@@H]1C 308623099 573564337 /nfs/dbraw/zinc/56/43/37/573564337.db2.gz XLXXDBJYBNIRTA-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@H]1CCCN[C@@H]1C 308623099 573564340 /nfs/dbraw/zinc/56/43/40/573564340.db2.gz XLXXDBJYBNIRTA-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238432199 573564554 /nfs/dbraw/zinc/56/45/54/573564554.db2.gz PTCGYHQIMQCUOG-HKWIRBFKSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238432199 573564558 /nfs/dbraw/zinc/56/45/58/573564558.db2.gz PTCGYHQIMQCUOG-HKWIRBFKSA-N 1 3 194.322 1.739 10 0 ADAEHO CCC[C@@H](C[C@H]1CCC[NH2+]1)NC 259512129 573564772 /nfs/dbraw/zinc/56/47/72/573564772.db2.gz SVIVNWRIVVBPEA-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CC1(C)CN([C@H]2CCCC[C@@H]2C[NH3+])C1 86680001 573564964 /nfs/dbraw/zinc/56/49/64/573564964.db2.gz DGNDKEFITDDQOZ-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[NH+]([C@H]2CCCC[C@@H]2CN)C1 86680001 573564969 /nfs/dbraw/zinc/56/49/69/573564969.db2.gz DGNDKEFITDDQOZ-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@H]1CCCC[N@H+](C)C1 107399574 573565019 /nfs/dbraw/zinc/56/50/19/573565019.db2.gz IGVUGHFXTUWLRQ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](N)[C@H]1CCCC[N@@H+](C)C1 107399574 573565025 /nfs/dbraw/zinc/56/50/25/573565025.db2.gz IGVUGHFXTUWLRQ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]([NH3+])[C@H]1CCCCN(C)C1 107399574 573565032 /nfs/dbraw/zinc/56/50/32/573565032.db2.gz IGVUGHFXTUWLRQ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)CN([C@H]2CCC[C@H]2C[NH3+])C1 86679914 573565052 /nfs/dbraw/zinc/56/50/52/573565052.db2.gz UUZCMJPUCOSJEQ-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1C[NH+]([C@@H]2CCCC[C@@H]2CN)C1 86679933 573565084 /nfs/dbraw/zinc/56/50/84/573565084.db2.gz UFMFYJDTGHLSOL-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCN1Cc1cccc(C[NH3+])c1 86681818 573565187 /nfs/dbraw/zinc/56/51/87/573565187.db2.gz LMEMAOQHFCMGAG-SNVBAGLBSA-N 1 3 190.290 1.740 10 0 ADAEHO [NH3+]C[C@H]1CCCC[C@@H]1N1CC2(CC2)C1 86679988 573566767 /nfs/dbraw/zinc/56/67/67/573566767.db2.gz XOUZWROIOLRMJN-MNOVXSKESA-N 1 3 194.322 1.600 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CC[C@@H]1C 86682294 573566179 /nfs/dbraw/zinc/56/61/79/573566179.db2.gz FBEXFBFXIAFDAY-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CC[C@@H]1C 86682294 573566184 /nfs/dbraw/zinc/56/61/84/573566184.db2.gz FBEXFBFXIAFDAY-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CCN)[NH2+]C(C)C 86682257 573566156 /nfs/dbraw/zinc/56/61/56/573566156.db2.gz DXTFYRZJUZHKQO-MRVPVSSYSA-N 1 3 144.262 1.112 10 0 ADAEHO CC[C@H](CC[NH3+])N1CC[C@@H]1C 86682294 573566191 /nfs/dbraw/zinc/56/61/91/573566191.db2.gz FBEXFBFXIAFDAY-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO [NH3+]C1CC(CNCc2ccco2)C1 258781909 573566259 /nfs/dbraw/zinc/56/62/59/573566259.db2.gz QQOXAODJXFSIQA-UHFFFAOYSA-N 1 3 180.251 1.107 10 0 ADAEHO C[C@H](C[NH3+])CN1CC2(CCC2)C1 86682175 573566356 /nfs/dbraw/zinc/56/63/56/573566356.db2.gz RYINSLZBYYGTMI-SECBINFHSA-N 1 3 168.284 1.067 10 0 ADAEHO C[C@@H](CC[NH3+])N1CC(C)(C)C1 86681908 573566445 /nfs/dbraw/zinc/56/64/45/573566445.db2.gz KVUDUDWILBYXOQ-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H](C[C@H]1CCC[NH2+]1)NC 259512126 573566826 /nfs/dbraw/zinc/56/68/26/573566826.db2.gz SVIVNWRIVVBPEA-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N1CC2(CC2)C1 86679983 573566829 /nfs/dbraw/zinc/56/68/29/573566829.db2.gz XOUZWROIOLRMJN-QWRGUYRKSA-N 1 3 194.322 1.600 10 0 ADAEHO CC1CN(Cc2cccc(C[NH3+])c2)C1 86681801 573566934 /nfs/dbraw/zinc/56/69/34/573566934.db2.gz HQNBJXSVDRNAQM-UHFFFAOYSA-N 1 3 190.290 1.597 10 0 ADAEHO CCc1ccc(CCNCC[NH3+])cc1 258781818 573566954 /nfs/dbraw/zinc/56/69/54/573566954.db2.gz PFXUOPRYXSMSPS-UHFFFAOYSA-N 1 3 192.306 1.340 10 0 ADAEHO CNC[C@@H](C[NH2+]C(C)C)C(C)C 258778937 573566975 /nfs/dbraw/zinc/56/69/75/573566975.db2.gz ZNSLXBGWMXAMKU-JTQLQIEISA-N 1 3 172.316 1.476 10 0 ADAEHO CC1C[NH+]([C@H]2CCCC[C@@H]2CN)C1 86679935 573566989 /nfs/dbraw/zinc/56/69/89/573566989.db2.gz UFMFYJDTGHLSOL-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@]2(C)NCCO2)C1 258781086 573567039 /nfs/dbraw/zinc/56/70/39/573567039.db2.gz XEGRCQPMNXFYRJ-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@]2(C)NCCO2)C1 258781086 573567043 /nfs/dbraw/zinc/56/70/43/573567043.db2.gz XEGRCQPMNXFYRJ-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@@H](CC[NH3+])N1CC2(CCCCC2)C1 86681944 573567911 /nfs/dbraw/zinc/56/79/11/573567911.db2.gz DKSOYRRQMATVNS-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H](CC[NH3+])N1CC2(CCCC2)C1 86681914 573567949 /nfs/dbraw/zinc/56/79/49/573567949.db2.gz BOCJJUBQEDWLCE-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H](CC[NH3+])N1CC2(CCCC2)C1 86681912 573569476 /nfs/dbraw/zinc/56/94/76/573569476.db2.gz BOCJJUBQEDWLCE-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H](CC[NH3+])N1CC2(CCCCC2)C1 86681945 573569168 /nfs/dbraw/zinc/56/91/68/573569168.db2.gz DKSOYRRQMATVNS-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H](C[NH3+])CN1CC2(CCC2)C1 86682172 573569237 /nfs/dbraw/zinc/56/92/37/573569237.db2.gz RYINSLZBYYGTMI-VIFPVBQESA-N 1 3 168.284 1.067 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCCC[C@@H]2CN)C1 86679925 573569386 /nfs/dbraw/zinc/56/93/86/573569386.db2.gz SUQJIBPWEFQNAA-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(CNCC[NH3+])c1cccs1 258781750 573570453 /nfs/dbraw/zinc/57/04/53/573570453.db2.gz PESQBINAPNGNQY-UHFFFAOYSA-N 1 3 198.335 1.574 10 0 ADAEHO CC1=CCN(C2CC[NH2+]CC2)CC1 75423260 573570562 /nfs/dbraw/zinc/57/05/62/573570562.db2.gz SOHMHGHUVXRFGW-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO CC1=CC[N@@H+](C2CCNCC2)CC1 75423260 573570564 /nfs/dbraw/zinc/57/05/64/573570564.db2.gz SOHMHGHUVXRFGW-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO CNCC[C@H](C)[N@H+]1C[C@H]2CCC[C@H]2C1 126567830 573570569 /nfs/dbraw/zinc/57/05/69/573570569.db2.gz TWHSXIWNONIRKS-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1=CC[N@H+](C2CCNCC2)CC1 75423260 573570571 /nfs/dbraw/zinc/57/05/71/573570571.db2.gz SOHMHGHUVXRFGW-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126567830 573570575 /nfs/dbraw/zinc/57/05/75/573570575.db2.gz TWHSXIWNONIRKS-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO NC[C@]1(F)CC[N@@H+]2CCCC[C@@H]2C1 257832326 573570817 /nfs/dbraw/zinc/57/08/17/573570817.db2.gz JZHVIEGDFIDQEG-ZJUUUORDSA-N 1 3 186.274 1.302 10 0 ADAEHO NC[C@]1(F)CC[N@H+]2CCCC[C@@H]2C1 257832326 573570819 /nfs/dbraw/zinc/57/08/19/573570819.db2.gz JZHVIEGDFIDQEG-ZJUUUORDSA-N 1 3 186.274 1.302 10 0 ADAEHO [NH3+][C@@H](C1CCCC1)[C@@H]1CCCCN1 259513203 573570868 /nfs/dbraw/zinc/57/08/68/573570868.db2.gz VGRDMQASZJHARB-QWRGUYRKSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@H]1[C@@H](CN)CCCC[N@@H+]1C 238444463 573572716 /nfs/dbraw/zinc/57/27/16/573572716.db2.gz HYZBTNRCKIVEOS-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C[C@]2(C)NCCO2)C1 258781105 573570974 /nfs/dbraw/zinc/57/09/74/573570974.db2.gz XEGRCQPMNXFYRJ-WDEREUQCSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@@H](C[C@]2(C)NCCO2)C1 258781105 573570979 /nfs/dbraw/zinc/57/09/79/573570979.db2.gz XEGRCQPMNXFYRJ-WDEREUQCSA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@H]1[C@@H](CN)CCCC[N@H+]1C 238444463 573572722 /nfs/dbraw/zinc/57/27/22/573572722.db2.gz HYZBTNRCKIVEOS-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH3+])C1CCCC1 259515297 573571106 /nfs/dbraw/zinc/57/11/06/573571106.db2.gz RWDOWPLWJWHRKH-WPRPVWTQSA-N 1 3 170.300 1.489 10 0 ADAEHO NC[C@@]1(F)CC[N@@H+]2CCCC[C@H]2C1 257832325 573571177 /nfs/dbraw/zinc/57/11/77/573571177.db2.gz JZHVIEGDFIDQEG-VHSXEESVSA-N 1 3 186.274 1.302 10 0 ADAEHO NC[C@@]1(F)CC[N@H+]2CCCC[C@H]2C1 257832325 573571183 /nfs/dbraw/zinc/57/11/83/573571183.db2.gz JZHVIEGDFIDQEG-VHSXEESVSA-N 1 3 186.274 1.302 10 0 ADAEHO NC[C@@]1(F)CC[N@@H+]2CCCC[C@@H]2C1 257832323 573571207 /nfs/dbraw/zinc/57/12/07/573571207.db2.gz JZHVIEGDFIDQEG-NXEZZACHSA-N 1 3 186.274 1.302 10 0 ADAEHO NC[C@@]1(F)CC[N@H+]2CCCC[C@@H]2C1 257832323 573571210 /nfs/dbraw/zinc/57/12/10/573571210.db2.gz JZHVIEGDFIDQEG-NXEZZACHSA-N 1 3 186.274 1.302 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH3+])C1CCCC1 259515296 573572755 /nfs/dbraw/zinc/57/27/55/573572755.db2.gz RWDOWPLWJWHRKH-WCBMZHEXSA-N 1 3 170.300 1.489 10 0 ADAEHO CC[C@H](CN)[C@H]([NH3+])C1CCCC1 259515295 573571755 /nfs/dbraw/zinc/57/17/55/573571755.db2.gz RWDOWPLWJWHRKH-SCZZXKLOSA-N 1 3 170.300 1.489 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH3+])C1CCCC1 259515294 573571838 /nfs/dbraw/zinc/57/18/38/573571838.db2.gz RWDOWPLWJWHRKH-PSASIEDQSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])Cc2ccccc2[C@@H]1N 238443914 573571979 /nfs/dbraw/zinc/57/19/79/573571979.db2.gz FRWBOACTSWAYIY-AVPPRXQKSA-N 1 3 176.263 1.206 10 0 ADAEHO [NH3+][C@H](C1CCCC1)[C@H]1CCCCN1 259513201 573572213 /nfs/dbraw/zinc/57/22/13/573572213.db2.gz VGRDMQASZJHARB-GHMZBOCLSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]1[C@H](N)c2ccccc2C[C@@]1(C)[NH3+] 238443963 573572791 /nfs/dbraw/zinc/57/27/91/573572791.db2.gz YZENEILPLCVJNO-JFUSQASVSA-N 1 3 190.290 1.596 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H](C[C@@H]2CCCCN2)C1 238433575 573572575 /nfs/dbraw/zinc/57/25/75/573572575.db2.gz SSKMWVBCROYACS-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCN[C@@H](C[C@@H]2CCCC[NH2+]2)C1 238433575 573572583 /nfs/dbraw/zinc/57/25/83/573572583.db2.gz SSKMWVBCROYACS-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+]CC1([C@@H](N)C(C)C)CCC1 259615670 573574778 /nfs/dbraw/zinc/57/47/78/573574778.db2.gz XQFZYHMEAOXMQP-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@](F)(CN)CC1CC[NH2+]CC1 257832379 573573983 /nfs/dbraw/zinc/57/39/83/573573983.db2.gz KBTAGFXOTXFZMT-SECBINFHSA-N 1 3 174.263 1.063 10 0 ADAEHO CC(C)(C)[N@@H+]1C[C@H](CN)CC1(C)C 259515782 573574183 /nfs/dbraw/zinc/57/41/83/573574183.db2.gz UWIPDRXQMSKLTP-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)(C)[N@H+]1C[C@H](CN)CC1(C)C 259515782 573574187 /nfs/dbraw/zinc/57/41/87/573574187.db2.gz UWIPDRXQMSKLTP-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]([NH3+])c1ccc2c(c1)CNC2 238445315 573574479 /nfs/dbraw/zinc/57/44/79/573574479.db2.gz NWDOTRFVGYQONU-ZETCQYMHSA-N 1 3 162.236 1.310 10 0 ADAEHO CNC[C@H]1CC[N@@H+]2CCCC[C@H]12 107404513 573575761 /nfs/dbraw/zinc/57/57/61/573575761.db2.gz YWXMWHUMWFPCOY-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1CC[N@H+]2CCCC[C@H]12 107404513 573575765 /nfs/dbraw/zinc/57/57/65/573575765.db2.gz YWXMWHUMWFPCOY-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCCC[NH2+]Cc1ccnc(CN)c1 130443049 573575894 /nfs/dbraw/zinc/57/58/94/573575894.db2.gz BYPUGKBDDRIPMZ-UHFFFAOYSA-N 1 3 193.294 1.430 10 0 ADAEHO C[C@H](N)[C@@H]1CCC[N@@H+]2CCC[C@H]12 107404491 573576055 /nfs/dbraw/zinc/57/60/55/573576055.db2.gz KZYIGIVXVJBBPE-LPEHRKFASA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)[C@@H]1CCC[N@H+]2CCC[C@H]12 107404491 573576061 /nfs/dbraw/zinc/57/60/61/573576061.db2.gz KZYIGIVXVJBBPE-LPEHRKFASA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)([NH3+])CCNCCc1cc[nH]c1 258795536 573576201 /nfs/dbraw/zinc/57/62/01/573576201.db2.gz CLHKQRYCXMIUNU-UHFFFAOYSA-N 1 3 195.310 1.274 10 0 ADAEHO C[N@@H+]1CCCC[C@H](C2(N)CC2)C1 107404410 573576324 /nfs/dbraw/zinc/57/63/24/573576324.db2.gz DXIJHQJXZOAZEM-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@H+]1CCCC[C@H](C2(N)CC2)C1 107404410 573576331 /nfs/dbraw/zinc/57/63/31/573576331.db2.gz DXIJHQJXZOAZEM-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CN1CCCC[C@H](C2([NH3+])CC2)C1 107404410 573576338 /nfs/dbraw/zinc/57/63/38/573576338.db2.gz DXIJHQJXZOAZEM-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO NCc1cc(C[NH2+]CC2CC2)ccn1 130442603 573576364 /nfs/dbraw/zinc/57/63/64/573576364.db2.gz XZQLZXKADYTIRL-UHFFFAOYSA-N 1 3 191.278 1.040 10 0 ADAEHO CC[C@H]([NH+](C)C)C(C)(C)N 259514706 573576411 /nfs/dbraw/zinc/57/64/11/573576411.db2.gz MLARCNJHKMXTMS-ZETCQYMHSA-N 1 3 144.262 1.064 10 0 ADAEHO CC(C)(C[NH2+]CCCN)C1CCC1 258792824 573577816 /nfs/dbraw/zinc/57/78/16/573577816.db2.gz QKZYTEUITMOUEB-UHFFFAOYSA-N 1 3 184.327 1.751 10 0 ADAEHO CC(C)CC[NH2+]C[C@H](C)CN 258793465 573577644 /nfs/dbraw/zinc/57/76/44/573577644.db2.gz RVJURCIHRKGGHW-SECBINFHSA-N 1 3 158.289 1.217 10 0 ADAEHO C[N@@H+]1CCCC[C@@H](C2(N)CC2)C1 107404413 573577648 /nfs/dbraw/zinc/57/76/48/573577648.db2.gz DXIJHQJXZOAZEM-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@H+]1CCCC[C@@H](C2(N)CC2)C1 107404413 573577655 /nfs/dbraw/zinc/57/76/55/573577655.db2.gz DXIJHQJXZOAZEM-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CN1CCCC[C@@H](C2([NH3+])CC2)C1 107404413 573577658 /nfs/dbraw/zinc/57/76/58/573577658.db2.gz DXIJHQJXZOAZEM-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@@H+]1CCC[C@H]([C@](C)(F)CN)C1 257833003 573577763 /nfs/dbraw/zinc/57/77/63/573577763.db2.gz KGTBXLFNIIEYPT-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@H]([C@](C)(F)CN)C1 257833003 573577771 /nfs/dbraw/zinc/57/77/71/573577771.db2.gz KGTBXLFNIIEYPT-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H](CCCC[NH3+])NCc1ncc[nH]1 308636840 573579574 /nfs/dbraw/zinc/57/95/74/573579574.db2.gz BFHGCDDQVNINEG-VIFPVBQESA-N 1 3 196.298 1.017 10 0 ADAEHO C[C@H](N)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 107404483 573578107 /nfs/dbraw/zinc/57/81/07/573578107.db2.gz GBUYEBPIIHCNNI-AEJSXWLSSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 107404483 573578111 /nfs/dbraw/zinc/57/81/11/573578111.db2.gz GBUYEBPIIHCNNI-AEJSXWLSSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+]1CCC[C@H]1[C@@H](CN)c1ccco1 82389879 573578223 /nfs/dbraw/zinc/57/82/23/573578223.db2.gz CQZNZZGUUQXBOF-ZJUUUORDSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@H+]1CCC[C@H]1[C@@H](CN)c1ccco1 82389879 573578226 /nfs/dbraw/zinc/57/82/26/573578226.db2.gz CQZNZZGUUQXBOF-ZJUUUORDSA-N 1 3 194.278 1.416 10 0 ADAEHO CN1CCC[C@H]1[C@@H](C[NH3+])c1ccco1 82389879 573578231 /nfs/dbraw/zinc/57/82/31/573578231.db2.gz CQZNZZGUUQXBOF-ZJUUUORDSA-N 1 3 194.278 1.416 10 0 ADAEHO CC[C@@H]([NH+](C)C)C(C)(C)N 259514705 573578346 /nfs/dbraw/zinc/57/83/46/573578346.db2.gz MLARCNJHKMXTMS-SSDOTTSWSA-N 1 3 144.262 1.064 10 0 ADAEHO C[C@H](N)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 107404486 573578410 /nfs/dbraw/zinc/57/84/10/573578410.db2.gz GBUYEBPIIHCNNI-GUBZILKMSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)[C@H]1C[C@@H]2CCCC[N@H+]2C1 107404486 573578414 /nfs/dbraw/zinc/57/84/14/573578414.db2.gz GBUYEBPIIHCNNI-GUBZILKMSA-N 1 3 168.284 1.208 10 0 ADAEHO CNC[C@H]1C[C@H]2CCCC[N@@H+]2C1 107404522 573578558 /nfs/dbraw/zinc/57/85/58/573578558.db2.gz VPCRNCGQFPBYFF-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1C[C@H]2CCCC[N@H+]2C1 107404522 573578564 /nfs/dbraw/zinc/57/85/64/573578564.db2.gz VPCRNCGQFPBYFF-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+]2CCCC[C@H]12 107404474 573578582 /nfs/dbraw/zinc/57/85/82/573578582.db2.gz CTQOYBWNWBBGLX-LPEHRKFASA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+]2CCCC[C@H]12 107404474 573578588 /nfs/dbraw/zinc/57/85/88/573578588.db2.gz CTQOYBWNWBBGLX-LPEHRKFASA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(C)[NH2+]Cc1ccnc(CN)c1 130440428 573578683 /nfs/dbraw/zinc/57/86/83/573578683.db2.gz UCRHSZKJTRMAPU-UHFFFAOYSA-N 1 3 193.294 1.428 10 0 ADAEHO CNC[C@H]1CCC[N@@H+]2CCC[C@H]12 107404526 573578713 /nfs/dbraw/zinc/57/87/13/573578713.db2.gz OXOIANQXTZBOOI-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1CCC[N@H+]2CCC[C@H]12 107404526 573578717 /nfs/dbraw/zinc/57/87/17/573578717.db2.gz OXOIANQXTZBOOI-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)C[NH2+]Cc1ccnc(CN)c1 130441682 573578747 /nfs/dbraw/zinc/57/87/47/573578747.db2.gz IGGNNMRLYUKAGU-UHFFFAOYSA-N 1 3 193.294 1.286 10 0 ADAEHO C[C@H](N)[C@H]1CCC[N@@H+]2CCC[C@H]12 107404496 573578850 /nfs/dbraw/zinc/57/88/50/573578850.db2.gz KZYIGIVXVJBBPE-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)[C@H]1CCC[N@H+]2CCC[C@H]12 107404496 573578855 /nfs/dbraw/zinc/57/88/55/573578855.db2.gz KZYIGIVXVJBBPE-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO CNC[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 107404517 573578884 /nfs/dbraw/zinc/57/88/84/573578884.db2.gz VPCRNCGQFPBYFF-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@@H]1C[C@@H]2CCCC[N@H+]2C1 107404517 573578888 /nfs/dbraw/zinc/57/88/88/573578888.db2.gz VPCRNCGQFPBYFF-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@@H]1CC[N@@H+]2CCCC[C@H]12 107404512 573578912 /nfs/dbraw/zinc/57/89/12/573578912.db2.gz YWXMWHUMWFPCOY-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@@H]1CC[N@H+]2CCCC[C@H]12 107404512 573578918 /nfs/dbraw/zinc/57/89/18/573578918.db2.gz YWXMWHUMWFPCOY-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[NH2+]Cc1ccnc(CN)c1 130440204 573579131 /nfs/dbraw/zinc/57/91/31/573579131.db2.gz UXXLADRZMWZKMW-UHFFFAOYSA-N 1 3 179.267 1.040 10 0 ADAEHO CNC[C@@H]1CCC[N@@H+]2CCC[C@H]12 107404524 573579165 /nfs/dbraw/zinc/57/91/65/573579165.db2.gz OXOIANQXTZBOOI-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@@H]1CCC[N@H+]2CCC[C@H]12 107404524 573579173 /nfs/dbraw/zinc/57/91/73/573579173.db2.gz OXOIANQXTZBOOI-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)([NH3+])CCNCc1cc[nH]c1 258795302 573579192 /nfs/dbraw/zinc/57/91/92/573579192.db2.gz CIEXTVNOQYHELZ-UHFFFAOYSA-N 1 3 181.283 1.232 10 0 ADAEHO CNC[C@@H]1C[C@H]2CCCC[N@@H+]2C1 107404520 573579616 /nfs/dbraw/zinc/57/96/16/573579616.db2.gz VPCRNCGQFPBYFF-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]([NH3+])c1ccc2c(c1)[C@@H](N)CO2 238445555 573579618 /nfs/dbraw/zinc/57/96/18/573579618.db2.gz SIEXPQNSSHXHQG-RCOVLWMOSA-N 1 3 178.235 1.099 10 0 ADAEHO CNC[C@@H]1C[C@H]2CCCC[N@H+]2C1 107404520 573579622 /nfs/dbraw/zinc/57/96/22/573579622.db2.gz VPCRNCGQFPBYFF-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH2+]CC1(CN(C)CC(C)C)CC1 258795311 573579637 /nfs/dbraw/zinc/57/96/37/573579637.db2.gz AAEAAWNTGVXSLN-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO CNCC1(C[N@H+](C)CC(C)C)CC1 258795311 573579643 /nfs/dbraw/zinc/57/96/43/573579643.db2.gz AAEAAWNTGVXSLN-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO CNCC1(C[N@@H+](C)CC(C)C)CC1 258795311 573579648 /nfs/dbraw/zinc/57/96/48/573579648.db2.gz AAEAAWNTGVXSLN-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]CCCc1cccc2c1CNC2 258065378 573579824 /nfs/dbraw/zinc/57/98/24/573579824.db2.gz IZEVSJRBZYXUSN-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO CC[C@@H](C[NH2+]C)N1C[C@H]2CCC[C@H]2C1 126551651 573579889 /nfs/dbraw/zinc/57/98/89/573579889.db2.gz PRSJZZUGPBPQTO-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CNC)[N@H+]1C[C@H]2CCC[C@H]2C1 126551651 573579894 /nfs/dbraw/zinc/57/98/94/573579894.db2.gz PRSJZZUGPBPQTO-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CNC)[N@@H+]1C[C@H]2CCC[C@H]2C1 126551651 573579902 /nfs/dbraw/zinc/57/99/02/573579902.db2.gz PRSJZZUGPBPQTO-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1C[C@@H]2CCCC[N@@H+]2C1 107404519 573579987 /nfs/dbraw/zinc/57/99/87/573579987.db2.gz VPCRNCGQFPBYFF-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1C[C@@H]2CCCC[N@H+]2C1 107404519 573579994 /nfs/dbraw/zinc/57/99/94/573579994.db2.gz VPCRNCGQFPBYFF-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](C[NH2+]C)N1C[C@H]2CCC[C@H]2C1 126551867 573580250 /nfs/dbraw/zinc/58/02/50/573580250.db2.gz PRSJZZUGPBPQTO-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CNC)[N@H+]1C[C@H]2CCC[C@H]2C1 126551867 573580254 /nfs/dbraw/zinc/58/02/54/573580254.db2.gz PRSJZZUGPBPQTO-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](CNC)[N@@H+]1C[C@H]2CCC[C@H]2C1 126551867 573580258 /nfs/dbraw/zinc/58/02/58/573580258.db2.gz PRSJZZUGPBPQTO-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)CC[NH2+]C[C@@H](C)CN 258793468 573580314 /nfs/dbraw/zinc/58/03/14/573580314.db2.gz RVJURCIHRKGGHW-VIFPVBQESA-N 1 3 158.289 1.217 10 0 ADAEHO CC[NH2+]CC(C)(C)C(C)(C)N 83645651 573580346 /nfs/dbraw/zinc/58/03/46/573580346.db2.gz OEDLPADDZPTMMM-UHFFFAOYSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H](C)[NH2+]Cc1ccnc(CN)c1 130441015 573580362 /nfs/dbraw/zinc/58/03/62/573580362.db2.gz ZEGSQERZVUAWPL-SECBINFHSA-N 1 3 193.294 1.428 10 0 ADAEHO C[N@@H+]1CCC[C@H]([C@@](C)(F)CN)C1 257833004 573580429 /nfs/dbraw/zinc/58/04/29/573580429.db2.gz KGTBXLFNIIEYPT-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@H]([C@@](C)(F)CN)C1 257833004 573580434 /nfs/dbraw/zinc/58/04/34/573580434.db2.gz KGTBXLFNIIEYPT-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)C)CC1(C)C 259114619 573580785 /nfs/dbraw/zinc/58/07/85/573580785.db2.gz BQNDRVBPERFTOS-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@H+](CC(C)C)CC1(C)C 259114619 573580789 /nfs/dbraw/zinc/58/07/89/573580789.db2.gz BQNDRVBPERFTOS-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC(C)C)CC1(C)C 259114619 573580792 /nfs/dbraw/zinc/58/07/92/573580792.db2.gz BQNDRVBPERFTOS-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)(N)C(C)(C)C[NH+]1CCCC1 83645464 573580880 /nfs/dbraw/zinc/58/08/80/573580880.db2.gz HDRBIYYQKGFXRZ-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO Cc1ccc(CCNCC[C@H](C)[NH3+])o1 258805177 573580958 /nfs/dbraw/zinc/58/09/58/573580958.db2.gz RUUCQXGQHKHZKN-VIFPVBQESA-N 1 3 196.294 1.457 10 0 ADAEHO CCCN(C)CC1(C[NH2+]C)CCC1 259116778 573581503 /nfs/dbraw/zinc/58/15/03/573581503.db2.gz XZDFSIVHOINGRJ-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC(CC)C[NH2+]CC1(CN)CC1 130459098 573583468 /nfs/dbraw/zinc/58/34/68/573583468.db2.gz ZUEVPDVZJBHZMI-UHFFFAOYSA-N 1 3 184.327 1.751 10 0 ADAEHO C[N@H+](CC1CCC1)C(C)(C)CCN 258798167 573581901 /nfs/dbraw/zinc/58/19/01/573581901.db2.gz JVTNDESKNAQJKK-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@@H+](CC1CCC1)C(C)(C)CCN 258798167 573581905 /nfs/dbraw/zinc/58/19/05/573581905.db2.gz JVTNDESKNAQJKK-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([NH3+])c1ccc2c(c1)[C@H](N)CO2 238445536 573581921 /nfs/dbraw/zinc/58/19/21/573581921.db2.gz SIEXPQNSSHXHQG-IMTBSYHQSA-N 1 3 178.235 1.099 10 0 ADAEHO C[C@H]1C[C@@H]1[NH2+]Cc1ccnc(CN)c1 130452497 573581981 /nfs/dbraw/zinc/58/19/81/573581981.db2.gz BSWUYKWWXALCHA-KWQFWETISA-N 1 3 191.278 1.038 10 0 ADAEHO CC(C)CC[NH2+]CC(C)(C)CN 258807511 573582238 /nfs/dbraw/zinc/58/22/38/573582238.db2.gz UDIITNYPJDRWRR-UHFFFAOYSA-N 1 3 172.316 1.607 10 0 ADAEHO CCN(C)CC(C)(C)C(C)(C)[NH3+] 83645520 573582401 /nfs/dbraw/zinc/58/24/01/573582401.db2.gz ZZJHFAHIHVQHJR-UHFFFAOYSA-N 1 3 172.316 1.702 10 0 ADAEHO CN[C@@H](c1ccccc1C)[C@@H](C)C[NH3+] 259519614 573582489 /nfs/dbraw/zinc/58/24/89/573582489.db2.gz SCYVPKOVHPXVJL-CMPLNLGQSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@@H]1CO[C@@H](C[C@H]2CCC[N@H+](C)C2)N1 258800018 573582666 /nfs/dbraw/zinc/58/26/66/573582666.db2.gz YBMZJHGOYPLZAA-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@@H](C[C@H]2CCC[N@@H+](C)C2)N1 258800018 573582670 /nfs/dbraw/zinc/58/26/70/573582670.db2.gz YBMZJHGOYPLZAA-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO CNCC1(C[NH2+]CC2CCCC2)CC1 258799299 573582818 /nfs/dbraw/zinc/58/28/18/573582818.db2.gz AKMYXQUHEFAUPA-UHFFFAOYSA-N 1 3 196.338 1.766 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]Cc1ccnc(CN)c1 130452217 573582846 /nfs/dbraw/zinc/58/28/46/573582846.db2.gz BSWUYKWWXALCHA-KCJUWKMLSA-N 1 3 191.278 1.038 10 0 ADAEHO CC(C)(C[NH3+])CCNCc1ccco1 258802136 573583063 /nfs/dbraw/zinc/58/30/63/573583063.db2.gz SSZNBTZNIVRGSC-UHFFFAOYSA-N 1 3 196.294 1.744 10 0 ADAEHO CCC(CC)C[NH2+]CC(C)(C)CN 130455587 573583242 /nfs/dbraw/zinc/58/32/42/573583242.db2.gz CJCOVEQJQWUFGO-UHFFFAOYSA-N 1 3 186.343 1.997 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1CCC1 258805138 573585074 /nfs/dbraw/zinc/58/50/74/573585074.db2.gz RTZPMLQZBIJGBJ-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)[N@@H+]1CC=C(CNC2CC2)C1 258066392 573584576 /nfs/dbraw/zinc/58/45/76/573584576.db2.gz MALAGUZLQCQGDV-UHFFFAOYSA-N 1 3 180.295 1.389 10 0 ADAEHO CC(C)[N@H+]1CC=C(CNC2CC2)C1 258066392 573584583 /nfs/dbraw/zinc/58/45/83/573584583.db2.gz MALAGUZLQCQGDV-UHFFFAOYSA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@@H]1CO[C@H](C[C@H]2CCC[N@H+](C)C2)N1 258799982 573584601 /nfs/dbraw/zinc/58/46/01/573584601.db2.gz YBMZJHGOYPLZAA-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@H](C[C@H]2CCC[N@@H+](C)C2)N1 258799982 573584607 /nfs/dbraw/zinc/58/46/07/573584607.db2.gz YBMZJHGOYPLZAA-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CN[C@H](c1ccccc1C)[C@H](C)C[NH3+] 259519616 573584740 /nfs/dbraw/zinc/58/47/40/573584740.db2.gz SCYVPKOVHPXVJL-PWSUYJOCSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@@H]([NH3+])CCCN(C)Cc1ccc[nH]1 258802655 573584973 /nfs/dbraw/zinc/58/49/73/573584973.db2.gz CYIKEZYLOLXVTA-SNVBAGLBSA-N 1 3 195.310 1.574 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)CC1(C)C 259114617 573585161 /nfs/dbraw/zinc/58/51/61/573585161.db2.gz BQNDRVBPERFTOS-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)CC1(C)C 259114617 573585165 /nfs/dbraw/zinc/58/51/65/573585165.db2.gz BQNDRVBPERFTOS-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)CC1(C)C 259114617 573585172 /nfs/dbraw/zinc/58/51/72/573585172.db2.gz BQNDRVBPERFTOS-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CO[C@@H](C[C@@H]2CCC[N@H+](C)C2)N1 258800064 573585254 /nfs/dbraw/zinc/58/52/54/573585254.db2.gz YBMZJHGOYPLZAA-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@@H](C[C@@H]2CCC[N@@H+](C)C2)N1 258800064 573585260 /nfs/dbraw/zinc/58/52/60/573585260.db2.gz YBMZJHGOYPLZAA-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@H]([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308402977 573585318 /nfs/dbraw/zinc/58/53/18/573585318.db2.gz JTBNZUMXUFGQHY-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1CCC1 258805140 573586541 /nfs/dbraw/zinc/58/65/41/573586541.db2.gz RTZPMLQZBIJGBJ-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](N)C(C)C 259519586 573586622 /nfs/dbraw/zinc/58/66/22/573586622.db2.gz SCCBWIKOWJSADL-IUCAKERBSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@@H](CNC)[C@@H]([NH3+])C(C)C 259519586 573586627 /nfs/dbraw/zinc/58/66/27/573586627.db2.gz SCCBWIKOWJSADL-IUCAKERBSA-N 1 3 158.289 1.215 10 0 ADAEHO CN(CCC1CC1)CC1(C[NH3+])CC1 308404821 573586687 /nfs/dbraw/zinc/58/66/87/573586687.db2.gz KYWRQPURSHZZQN-UHFFFAOYSA-N 1 3 182.311 1.457 10 0 ADAEHO CN[C@@H](c1ccccc1C)[C@H](C)C[NH3+] 259519618 573586774 /nfs/dbraw/zinc/58/67/74/573586774.db2.gz SCYVPKOVHPXVJL-ZYHUDNBSSA-N 1 3 192.306 1.850 10 0 ADAEHO CN[C@H](c1ccccc1C)[C@@H](C)C[NH3+] 259519615 573586846 /nfs/dbraw/zinc/58/68/46/573586846.db2.gz SCYVPKOVHPXVJL-JQWIXIFHSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@H](CC[NH3+])N1CCC[C@H]2CCC[C@@H]21 83699970 573589798 /nfs/dbraw/zinc/58/97/98/573589798.db2.gz BZTQFLYAXWANEE-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO [NH3+][C@@H]1CNCC[C@H]1Cc1ccccc1 144482819 573590022 /nfs/dbraw/zinc/59/00/22/573590022.db2.gz AQIMFLQVFRYESV-NWDGAFQWSA-N 1 3 190.290 1.166 10 0 ADAEHO CCc1ccc([C@H](CC[NH3+])NC)cc1 259117382 573590142 /nfs/dbraw/zinc/59/01/42/573590142.db2.gz AHFRCIVPPBRZMY-LBPRGKRZSA-N 1 3 192.306 1.858 10 0 ADAEHO CC[C@H](C)[NH2+]CC[C@H]1CCCCN1 258810723 573590206 /nfs/dbraw/zinc/59/02/06/573590206.db2.gz UIWFKQZBWPEEPW-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+][C@H](C)CC1=CCN(C)CC1 258063983 573591276 /nfs/dbraw/zinc/59/12/76/573591276.db2.gz LYVTWYSSYSNUBD-SECBINFHSA-N 1 3 168.284 1.246 10 0 ADAEHO [NH3+]CCC1(CN2CC[C@@H](F)C2)CC1 689908675 573591209 /nfs/dbraw/zinc/59/12/09/573591209.db2.gz JRBRCWNRVUUYGT-SECBINFHSA-N 1 3 186.274 1.159 10 0 ADAEHO C[N@@H+]1CC[C@@H](C[C@@H]2NCC(C)(C)O2)C1 258808925 573591598 /nfs/dbraw/zinc/59/15/98/573591598.db2.gz YGXMYTGIKMBMEY-VHSXEESVSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@@H](C[C@@H]2NCC(C)(C)O2)C1 258808925 573591602 /nfs/dbraw/zinc/59/16/02/573591602.db2.gz YGXMYTGIKMBMEY-VHSXEESVSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CCNC[C@H]1C 308640913 573591660 /nfs/dbraw/zinc/59/16/60/573591660.db2.gz CYNBBIVZCTUMOU-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CCNC[C@H]1C 308640913 573591665 /nfs/dbraw/zinc/59/16/65/573591665.db2.gz CYNBBIVZCTUMOU-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO NCC1(C[NH2+]CC2CCC2)CC1 258811733 573591686 /nfs/dbraw/zinc/59/16/86/573591686.db2.gz BPZQZQMBDHKDQI-UHFFFAOYSA-N 1 3 168.284 1.115 10 0 ADAEHO C[N@@H+]1CC[C@H](C[C@H]2NCC(C)(C)O2)C1 258808927 573593724 /nfs/dbraw/zinc/59/37/24/573593724.db2.gz YGXMYTGIKMBMEY-ZJUUUORDSA-N 1 3 198.310 1.053 10 0 ADAEHO N[C@@]1(CC(F)F)CCC[NH2+]CC1 259518903 573591930 /nfs/dbraw/zinc/59/19/30/573591930.db2.gz ADONZPUZBIRWTB-QMMMGPOBSA-N 1 3 178.226 1.113 10 0 ADAEHO [NH3+][C@@]1(CC(F)F)CCCNCC1 259518903 573591934 /nfs/dbraw/zinc/59/19/34/573591934.db2.gz ADONZPUZBIRWTB-QMMMGPOBSA-N 1 3 178.226 1.113 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@H]1CCCCN1 259521683 573591956 /nfs/dbraw/zinc/59/19/56/573591956.db2.gz VVBVGIAPTDQXOE-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CCNC[C@@H]1C 308640910 573591957 /nfs/dbraw/zinc/59/19/57/573591957.db2.gz CYNBBIVZCTUMOU-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CCNC[C@@H]1C 308640910 573591961 /nfs/dbraw/zinc/59/19/61/573591961.db2.gz CYNBBIVZCTUMOU-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H](CC(C)(C)N)[NH2+]C 259520310 573593800 /nfs/dbraw/zinc/59/38/00/573593800.db2.gz UCBCHZIZQZGQII-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO C[N@H+]1CC[C@H](C[C@H]2NCC(C)(C)O2)C1 258808927 573593728 /nfs/dbraw/zinc/59/37/28/573593728.db2.gz YGXMYTGIKMBMEY-ZJUUUORDSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@](C)([NH3+])CNC(C)C 78724431 573595377 /nfs/dbraw/zinc/59/53/77/573595377.db2.gz APFJLGSHVRYWGE-MRVPVSSYSA-N 1 3 144.262 1.112 10 0 ADAEHO N[C@H](c1ccccn1)C1CC[NH2+]CC1 259135983 573595414 /nfs/dbraw/zinc/59/54/14/573595414.db2.gz CQOIUQQAUNVLLP-NSHDSACASA-N 1 3 191.278 1.081 10 0 ADAEHO CN[C@@H](C[C@H](C)[NH3+])c1ccccc1C 259524375 573595481 /nfs/dbraw/zinc/59/54/81/573595481.db2.gz SISKTYDFMNWOAO-JQWIXIFHSA-N 1 3 192.306 1.993 10 0 ADAEHO CCC[C@@H]([NH2+]C)C1(CNC)CCC1 259136560 573595943 /nfs/dbraw/zinc/59/59/43/573595943.db2.gz BVQMMFAGTGLROK-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO [NH3+][C@@H](CNC1CCC1)C1CCC1 258410700 573596006 /nfs/dbraw/zinc/59/60/06/573596006.db2.gz VOMKALBEOYCXBN-JTQLQIEISA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700502 573596105 /nfs/dbraw/zinc/59/61/05/573596105.db2.gz INFOFSRVSWOXFA-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700502 573596110 /nfs/dbraw/zinc/59/61/10/573596110.db2.gz INFOFSRVSWOXFA-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO NC(=[NH2+])CCN1CCC[C@@H]2CCC[C@H]21 83701180 573596174 /nfs/dbraw/zinc/59/61/74/573596174.db2.gz DJGJGCRIFPCBMQ-VHSXEESVSA-N 1 3 195.310 1.577 10 0 ADAEHO CN[C@@H](c1ccccc1)[C@H](C)C[NH3+] 259524450 573596248 /nfs/dbraw/zinc/59/62/48/573596248.db2.gz SJDRJFWRMBRPNB-MWLCHTKSSA-N 1 3 178.279 1.542 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@@H]([C@@H](F)CN)C1 257835921 573596821 /nfs/dbraw/zinc/59/68/21/573596821.db2.gz KQRKFNMVFVAZAO-BDAKNGLRSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@@H]([C@@H](F)CN)C1 257835921 573596826 /nfs/dbraw/zinc/59/68/26/573596826.db2.gz KQRKFNMVFVAZAO-BDAKNGLRSA-N 1 3 188.290 1.404 10 0 ADAEHO CN[C@H](C[C@@H](C)[NH3+])c1ccccc1C 259524383 573596628 /nfs/dbraw/zinc/59/66/28/573596628.db2.gz SISKTYDFMNWOAO-ZYHUDNBSSA-N 1 3 192.306 1.993 10 0 ADAEHO C[N@@H+]1C[C@@H](N)[C@H](C2CCCCC2)C1 82394960 573596675 /nfs/dbraw/zinc/59/66/75/573596675.db2.gz FBCKDUCZBBCBMU-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@H+]1C[C@@H](N)[C@H](C2CCCCC2)C1 82394960 573596678 /nfs/dbraw/zinc/59/66/78/573596678.db2.gz FBCKDUCZBBCBMU-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO [NH3+][C@H](CNC1CCC1)C1CCC1 258410704 573597798 /nfs/dbraw/zinc/59/77/98/573597798.db2.gz VOMKALBEOYCXBN-SNVBAGLBSA-N 1 3 168.284 1.256 10 0 ADAEHO CNC[C@H]1CC[N@H+](CC(C)C)[C@@H]1C 259139170 573597810 /nfs/dbraw/zinc/59/78/10/573597810.db2.gz DPANXERZNRWQJD-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C 259139170 573597812 /nfs/dbraw/zinc/59/78/12/573597812.db2.gz DPANXERZNRWQJD-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@H]([C@H](F)CN)C1 257835923 573597822 /nfs/dbraw/zinc/59/78/22/573597822.db2.gz KQRKFNMVFVAZAO-DTWKUNHWSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@H]([C@H](F)CN)C1 257835923 573597825 /nfs/dbraw/zinc/59/78/25/573597825.db2.gz KQRKFNMVFVAZAO-DTWKUNHWSA-N 1 3 188.290 1.404 10 0 ADAEHO CNCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 83700676 573597752 /nfs/dbraw/zinc/59/77/52/573597752.db2.gz ODVQGMWARKIRAA-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700503 573597586 /nfs/dbraw/zinc/59/75/86/573597586.db2.gz RABTTWJVYMFDNH-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700503 573597592 /nfs/dbraw/zinc/59/75/92/573597592.db2.gz RABTTWJVYMFDNH-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 83700676 573597746 /nfs/dbraw/zinc/59/77/46/573597746.db2.gz ODVQGMWARKIRAA-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700673 573598834 /nfs/dbraw/zinc/59/88/34/573598834.db2.gz ODVQGMWARKIRAA-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC[N@H+]1CCC[C@H]2CCC[C@@H]21 83700673 573598840 /nfs/dbraw/zinc/59/88/40/573598840.db2.gz ODVQGMWARKIRAA-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CC(C)C)[C@@H]1C 259139171 573598843 /nfs/dbraw/zinc/59/88/43/573598843.db2.gz DPANXERZNRWQJD-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CC(C)C)[C@@H]1C 259139171 573598849 /nfs/dbraw/zinc/59/88/49/573598849.db2.gz DPANXERZNRWQJD-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)[NH+]1CCC([C@@H](F)CN)CC1 257835999 573599959 /nfs/dbraw/zinc/59/99/59/573599959.db2.gz KSIBNKFGTVVVTO-JTQLQIEISA-N 1 3 188.290 1.404 10 0 ADAEHO NC(=[NH2+])CCN1CCC[C@H]2CCC[C@H]21 83701178 573600107 /nfs/dbraw/zinc/60/01/07/573600107.db2.gz DJGJGCRIFPCBMQ-NXEZZACHSA-N 1 3 195.310 1.577 10 0 ADAEHO CC[C@]1(CNCC(C)C)CCC[NH2+]1 215396630 573600374 /nfs/dbraw/zinc/60/03/74/573600374.db2.gz XSFNUYFDLTUZPS-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO CN[C@H](C)c1cc(C[NH3+])ccc1OC 257837998 573600918 /nfs/dbraw/zinc/60/09/18/573600918.db2.gz LGQCCMDNGDIBEC-MRVPVSSYSA-N 1 3 194.278 1.434 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CC(C)C)[C@H]1C 259139172 573600932 /nfs/dbraw/zinc/60/09/32/573600932.db2.gz DPANXERZNRWQJD-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CC(C)C)[C@H]1C 259139172 573600938 /nfs/dbraw/zinc/60/09/38/573600938.db2.gz DPANXERZNRWQJD-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@@H](C)c1cc(C[NH3+])ccc1OC 257837999 573601140 /nfs/dbraw/zinc/60/11/40/573601140.db2.gz LGQCCMDNGDIBEC-QMMMGPOBSA-N 1 3 194.278 1.434 10 0 ADAEHO C[C@H](C[NH3+])C[C@@H](N)c1ccccn1 259138545 573601399 /nfs/dbraw/zinc/60/13/99/573601399.db2.gz CROSLSVFJLCAJK-DTWKUNHWSA-N 1 3 179.267 1.066 10 0 ADAEHO C[C@@H](C[NH3+])C[C@@H](N)c1ccccn1 259138554 573601479 /nfs/dbraw/zinc/60/14/79/573601479.db2.gz CROSLSVFJLCAJK-RKDXNWHRSA-N 1 3 179.267 1.066 10 0 ADAEHO C[C@H](C[NH3+])C[C@H](N)c1ccccn1 259138549 573601573 /nfs/dbraw/zinc/60/15/73/573601573.db2.gz CROSLSVFJLCAJK-IUCAKERBSA-N 1 3 179.267 1.066 10 0 ADAEHO CN1C[C@@H]2CC(C)(F)C[C@H](C1)C2[NH3+] 259525527 573602725 /nfs/dbraw/zinc/60/27/25/573602725.db2.gz ARRFBIBLLMFJRN-BQKDNTBBSA-N 1 3 186.274 1.014 10 0 ADAEHO CC[C@@H]1CN(CC2CC2)[C@@H](C)CC[NH2+]1 224393645 573602801 /nfs/dbraw/zinc/60/28/01/573602801.db2.gz RHZAFDHNIDFJRJ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC1([C@@H]([NH2+]C)C2CCCC2)CC1 259616262 573603110 /nfs/dbraw/zinc/60/31/10/573603110.db2.gz YQBBZFKHTFRKSK-NSHDSACASA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H](N(C)C)C1 308649100 573603120 /nfs/dbraw/zinc/60/31/20/573603120.db2.gz JHOFLMFVFBEPAG-DDHJBXDOSA-N 1 3 196.338 1.715 10 0 ADAEHO CCc1nc(C[C@@H]2CC[NH2+]C2)c(C)[nH]1 257836645 573603165 /nfs/dbraw/zinc/60/31/65/573603165.db2.gz KYBXMRZGOTXBFJ-VIFPVBQESA-N 1 3 193.294 1.433 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@@H](N(C)C)C1 308649102 573603314 /nfs/dbraw/zinc/60/33/14/573603314.db2.gz JHOFLMFVFBEPAG-WISYIIOYSA-N 1 3 196.338 1.715 10 0 ADAEHO CCCCCN1CC[C@H]([NH3+])C1(C)C 259525005 573603505 /nfs/dbraw/zinc/60/35/05/573603505.db2.gz VMXMXLOCPPCZKK-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1c2ccccc2[C@H](N)C[C@@H]1[NH3+] 238446997 573603521 /nfs/dbraw/zinc/60/35/21/573603521.db2.gz OOZNYELESYBIFV-PPKCKEKNSA-N 1 3 176.263 1.521 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[C@H](N(C)C)C1 308649103 573603594 /nfs/dbraw/zinc/60/35/94/573603594.db2.gz JHOFLMFVFBEPAG-WYUUTHIRSA-N 1 3 196.338 1.715 10 0 ADAEHO CC1CC(NC[C@@H]2C[NH2+]CC23CC3)C1 715997966 573603638 /nfs/dbraw/zinc/60/36/38/573603638.db2.gz GRASVIVGVHHRTA-YVNMAJEFSA-N 1 3 194.322 1.374 10 0 ADAEHO CN(CCC(N)=[NH2+])CC1(C)CCCC1 308648543 573603656 /nfs/dbraw/zinc/60/36/56/573603656.db2.gz ISJBITPZYKQLSE-UHFFFAOYSA-N 1 3 197.326 1.825 10 0 ADAEHO CNCC1([C@H]([NH2+]C)C2CCCC2)CC1 259616259 573603862 /nfs/dbraw/zinc/60/38/62/573603862.db2.gz YQBBZFKHTFRKSK-LLVKDONJSA-N 1 3 196.338 1.764 10 0 ADAEHO [NH3+]CCCN1CCC[C@H](F)CC1 258066928 573603881 /nfs/dbraw/zinc/60/38/81/573603881.db2.gz LBBSQVKOYFHOQG-VIFPVBQESA-N 1 3 174.263 1.159 10 0 ADAEHO NCCC[N@@H+]1CCC[C@H](F)CC1 258066928 573603887 /nfs/dbraw/zinc/60/38/87/573603887.db2.gz LBBSQVKOYFHOQG-VIFPVBQESA-N 1 3 174.263 1.159 10 0 ADAEHO NCCC[N@H+]1CCC[C@H](F)CC1 258066928 573603893 /nfs/dbraw/zinc/60/38/93/573603893.db2.gz LBBSQVKOYFHOQG-VIFPVBQESA-N 1 3 174.263 1.159 10 0 ADAEHO CCc1nc(C[C@H]2CC[NH2+]C2)c(C)[nH]1 257836644 573604292 /nfs/dbraw/zinc/60/42/92/573604292.db2.gz KYBXMRZGOTXBFJ-SECBINFHSA-N 1 3 193.294 1.433 10 0 ADAEHO CC[C@H]1CN(CC2CC2)[C@@H](C)CC[NH2+]1 224393690 573604380 /nfs/dbraw/zinc/60/43/80/573604380.db2.gz RHZAFDHNIDFJRJ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CC[C@@H](N)C1 223182177 573604950 /nfs/dbraw/zinc/60/49/50/573604950.db2.gz ZWVHXTQACDIIMS-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223182177 573604955 /nfs/dbraw/zinc/60/49/55/573604955.db2.gz ZWVHXTQACDIIMS-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@@H](CN)C(C)C 259124053 573605541 /nfs/dbraw/zinc/60/55/41/573605541.db2.gz GMKNIOQIVKMREX-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H](N(C)C)C1 308649101 573605620 /nfs/dbraw/zinc/60/56/20/573605620.db2.gz JHOFLMFVFBEPAG-KKOKHZNYSA-N 1 3 196.338 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCCC[C@H]1C 147467834 573605733 /nfs/dbraw/zinc/60/57/33/573605733.db2.gz CYVZCUGERIATOS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C)CC[N@@H+]1CCCC[C@H]1C 147467834 573605741 /nfs/dbraw/zinc/60/57/41/573605741.db2.gz CYVZCUGERIATOS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C)CC[N@H+]1CCCC[C@H]1C 147467834 573605748 /nfs/dbraw/zinc/60/57/48/573605748.db2.gz CYVZCUGERIATOS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1c2ccccc2[C@@H](N)C[C@@H]1[NH3+] 238447098 573606110 /nfs/dbraw/zinc/60/61/10/573606110.db2.gz OOZNYELESYBIFV-GGVZMXCHSA-N 1 3 176.263 1.521 10 0 ADAEHO Cc1cnc2[nH]c([C@@H](C)[NH3+])c(C)n12 82397732 573606330 /nfs/dbraw/zinc/60/63/30/573606330.db2.gz VCAUUWQVRGXANC-ZCFIWIBFSA-N 1 3 178.239 1.299 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@@H](CN)C(C)C 259124056 573606492 /nfs/dbraw/zinc/60/64/92/573606492.db2.gz GMKNIOQIVKMREX-VHSXEESVSA-N 1 3 172.316 1.605 10 0 ADAEHO Cc1ccc([C@@H](N)CC[NH3+])cc1 75546364 573608610 /nfs/dbraw/zinc/60/86/10/573608610.db2.gz UYIQYKZTVQZMMS-JTQLQIEISA-N 1 3 164.252 1.344 10 0 ADAEHO C[C@@H](CN)C[NH2+]CCc1ccccc1 258822883 573607585 /nfs/dbraw/zinc/60/75/85/573607585.db2.gz VHIKKQDVAVOJDX-NSHDSACASA-N 1 3 192.306 1.414 10 0 ADAEHO C[C@@H](C[NH3+])CNCCc1ccccc1 258822883 573607589 /nfs/dbraw/zinc/60/75/89/573607589.db2.gz VHIKKQDVAVOJDX-NSHDSACASA-N 1 3 192.306 1.414 10 0 ADAEHO Cn1ccnc1NCCCC[NH+](C)C 50606654 573607996 /nfs/dbraw/zinc/60/79/96/573607996.db2.gz RDERWIGAPMPUTD-UHFFFAOYSA-N 1 3 196.298 1.174 10 0 ADAEHO Cc1ccc([C@H](N)CC[NH3+])cc1 75546362 573608030 /nfs/dbraw/zinc/60/80/30/573608030.db2.gz UYIQYKZTVQZMMS-SNVBAGLBSA-N 1 3 164.252 1.344 10 0 ADAEHO CN[C@@H](c1ccccn1)[C@H](C)CC[NH3+] 259528125 573608376 /nfs/dbraw/zinc/60/83/76/573608376.db2.gz UNMSJFQJNYRXMD-MWLCHTKSSA-N 1 3 193.294 1.327 10 0 ADAEHO Cc1ccc([C@@H](N)C[C@@H](C)[NH3+])cc1 259130037 573608706 /nfs/dbraw/zinc/60/87/06/573608706.db2.gz CIIPADPZMQIJJW-KOLCDFICSA-N 1 3 178.279 1.732 10 0 ADAEHO NC1([C@H]2CCCC[NH2+]2)CCCCC1 258068218 573609182 /nfs/dbraw/zinc/60/91/82/573609182.db2.gz QEKXPBHBNXXLLD-SNVBAGLBSA-N 1 3 182.311 1.790 10 0 ADAEHO [NH3+]C1([C@H]2CCCCN2)CCCCC1 258068218 573609187 /nfs/dbraw/zinc/60/91/87/573609187.db2.gz QEKXPBHBNXXLLD-SNVBAGLBSA-N 1 3 182.311 1.790 10 0 ADAEHO CN[C@@H](c1ccccn1)[C@@H](C)CC[NH3+] 259528117 573609240 /nfs/dbraw/zinc/60/92/40/573609240.db2.gz UNMSJFQJNYRXMD-GXSJLCMTSA-N 1 3 193.294 1.327 10 0 ADAEHO NC1([C@@H]2CCCC[NH2+]2)CCCCC1 258068212 573609263 /nfs/dbraw/zinc/60/92/63/573609263.db2.gz QEKXPBHBNXXLLD-JTQLQIEISA-N 1 3 182.311 1.790 10 0 ADAEHO [NH3+]C1([C@@H]2CCCCN2)CCCCC1 258068212 573609268 /nfs/dbraw/zinc/60/92/68/573609268.db2.gz QEKXPBHBNXXLLD-JTQLQIEISA-N 1 3 182.311 1.790 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@H]1C[NH2+]CC12CC2 716003269 573609489 /nfs/dbraw/zinc/60/94/89/573609489.db2.gz RSMWJOHAGCJNCO-UWVGGRQHSA-N 1 3 194.322 1.374 10 0 ADAEHO Cc1ccc([C@@H](N)C[C@H](C)[NH3+])cc1 259130041 573609693 /nfs/dbraw/zinc/60/96/93/573609693.db2.gz CIIPADPZMQIJJW-ONGXEEELSA-N 1 3 178.279 1.732 10 0 ADAEHO CC1(C)CC[C@H]([NH3+])C(C)(C)N1 142760025 573610635 /nfs/dbraw/zinc/61/06/35/573610635.db2.gz YGRYZPZBLXHLEH-ZETCQYMHSA-N 1 3 156.273 1.254 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@H]1C[NH2+]CC12CC2 716003276 573612310 /nfs/dbraw/zinc/61/23/10/573612310.db2.gz RSMWJOHAGCJNCO-VHSXEESVSA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@@H](CC[NH+](C)C)Nc1nccn1C 50606501 573612097 /nfs/dbraw/zinc/61/20/97/573612097.db2.gz MIVMFSWAQJFRBA-VIFPVBQESA-N 1 3 196.298 1.172 10 0 ADAEHO CC[N@@H+]1CCC(C)(C)[C@H](CN)C1 259141205 573612169 /nfs/dbraw/zinc/61/21/69/573612169.db2.gz DQXWPNPNULVKJI-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[N@H+]1CCC(C)(C)[C@H](CN)C1 259141205 573612173 /nfs/dbraw/zinc/61/21/73/573612173.db2.gz DQXWPNPNULVKJI-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CCN1CCC(C)(C)[C@H](C[NH3+])C1 259141205 573612179 /nfs/dbraw/zinc/61/21/79/573612179.db2.gz DQXWPNPNULVKJI-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H]1CCCCN1 259528983 573612371 /nfs/dbraw/zinc/61/23/71/573612371.db2.gz WGOITRUPFSUCJD-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H]1C[N@@H+]([C@@H]2CC23CC3)CCCN1 715319043 573612685 /nfs/dbraw/zinc/61/26/85/573612685.db2.gz JDMHCBQGEJRELT-WDEREUQCSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@H]1C[N@H+]([C@@H]2CC23CC3)CCCN1 715319043 573612691 /nfs/dbraw/zinc/61/26/91/573612691.db2.gz JDMHCBQGEJRELT-WDEREUQCSA-N 1 3 194.322 1.613 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@H]1C[NH2+]CC12CC2 716003280 573612694 /nfs/dbraw/zinc/61/26/94/573612694.db2.gz RSMWJOHAGCJNCO-ZJUUUORDSA-N 1 3 194.322 1.374 10 0 ADAEHO CN1CCC(C(=O)CC(C)(C)[NH3+])CC1 259126486 573612731 /nfs/dbraw/zinc/61/27/31/573612731.db2.gz JFEUDRFQUGTJAD-UHFFFAOYSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H](CN)C[NH2+]CCc1ccccc1 258822878 573612752 /nfs/dbraw/zinc/61/27/52/573612752.db2.gz VHIKKQDVAVOJDX-LLVKDONJSA-N 1 3 192.306 1.414 10 0 ADAEHO C[C@H](C[NH3+])CNCCc1ccccc1 258822878 573612758 /nfs/dbraw/zinc/61/27/58/573612758.db2.gz VHIKKQDVAVOJDX-LLVKDONJSA-N 1 3 192.306 1.414 10 0 ADAEHO CCCCN(C)C[C@@H]1C[NH2+]CC12CC2 716004210 573616495 /nfs/dbraw/zinc/61/64/95/573616495.db2.gz XCICLTFLFHWRAS-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)(C)[C@@H]1[C@@H](N)C2CC[NH+]1CC2 259530464 573613830 /nfs/dbraw/zinc/61/38/30/573613830.db2.gz BCAQIGUVFMERNH-UWVGGRQHSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(F)(F)C[C@]1(N)CCC[NH2+]CC1 259530604 573618467 /nfs/dbraw/zinc/61/84/67/573618467.db2.gz BCINMEGTVLMAPF-VIFPVBQESA-N 1 3 192.253 1.503 10 0 ADAEHO C[C@H]1CCN1C[C@@H]1C[NH2+]CC12CC2 716003641 573614978 /nfs/dbraw/zinc/61/49/78/573614978.db2.gz ACLMRAURBIFSAH-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO CC(C)(C)[C@H]1[C@@H](N)C2CC[NH+]1CC2 259530476 573615142 /nfs/dbraw/zinc/61/51/42/573615142.db2.gz BCAQIGUVFMERNH-VHSXEESVSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@H]1CC[C@H](CN)C[N@@H+]1C 107455752 573615196 /nfs/dbraw/zinc/61/51/96/573615196.db2.gz NZUAPTKBQIJERD-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1CC[C@H](CN)C[N@H+]1C 107455752 573615203 /nfs/dbraw/zinc/61/52/03/573615203.db2.gz NZUAPTKBQIJERD-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1CC[C@H](C[NH3+])CN1C 107455752 573615206 /nfs/dbraw/zinc/61/52/06/573615206.db2.gz NZUAPTKBQIJERD-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@@H+]1C[C@H](CN)CC[C@@H]1C1CC1 107457282 573619301 /nfs/dbraw/zinc/61/93/01/573619301.db2.gz MFMBBBFRPNOKNK-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H]1CC[C@@H](CN)C[N@@H+]1C 107455753 573615321 /nfs/dbraw/zinc/61/53/21/573615321.db2.gz NZUAPTKBQIJERD-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1CC[C@@H](CN)C[N@H+]1C 107455753 573615323 /nfs/dbraw/zinc/61/53/23/573615323.db2.gz NZUAPTKBQIJERD-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1CC[C@@H](C[NH3+])CN1C 107455753 573615329 /nfs/dbraw/zinc/61/53/29/573615329.db2.gz NZUAPTKBQIJERD-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@H]2CC23CC3)CCCN1 715319030 573615507 /nfs/dbraw/zinc/61/55/07/573615507.db2.gz JDMHCBQGEJRELT-MNOVXSKESA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@H]2CC23CC3)CCCN1 715319030 573615513 /nfs/dbraw/zinc/61/55/13/573615513.db2.gz JDMHCBQGEJRELT-MNOVXSKESA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@H]1CC[C@@H](CN)C[N@@H+]1C 107455756 573617734 /nfs/dbraw/zinc/61/77/34/573617734.db2.gz NZUAPTKBQIJERD-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1CC[C@@H](CN)C[N@H+]1C 107455756 573617740 /nfs/dbraw/zinc/61/77/40/573617740.db2.gz NZUAPTKBQIJERD-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1CC[C@@H](C[NH3+])CN1C 107455756 573617742 /nfs/dbraw/zinc/61/77/42/573617742.db2.gz NZUAPTKBQIJERD-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO NC1([C@@H]2CCC[NH2+]C2)CC(F)(F)C1 259530211 573618415 /nfs/dbraw/zinc/61/84/15/573618415.db2.gz AZZXGNBMKRGBCP-SSDOTTSWSA-N 1 3 190.237 1.113 10 0 ADAEHO [NH3+]C1([C@@H]2CCCNC2)CC(F)(F)C1 259530211 573618421 /nfs/dbraw/zinc/61/84/21/573618421.db2.gz AZZXGNBMKRGBCP-SSDOTTSWSA-N 1 3 190.237 1.113 10 0 ADAEHO CC(F)(F)C[C@]1([NH3+])CCCNCC1 259530604 573618472 /nfs/dbraw/zinc/61/84/72/573618472.db2.gz BCINMEGTVLMAPF-VIFPVBQESA-N 1 3 192.253 1.503 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+](C)C(C)(C)C 394367661 573618574 /nfs/dbraw/zinc/61/85/74/573618574.db2.gz UJVLOBSVWXTCSR-ZJUUUORDSA-N 1 3 186.343 1.961 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+](C)C(C)(C)C 394367661 573618581 /nfs/dbraw/zinc/61/85/81/573618581.db2.gz UJVLOBSVWXTCSR-ZJUUUORDSA-N 1 3 186.343 1.961 10 0 ADAEHO CC(C)(C)[C@H]1[C@H](N)C2CC[NH+]1CC2 259530454 573618816 /nfs/dbraw/zinc/61/88/16/573618816.db2.gz BCAQIGUVFMERNH-NXEZZACHSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@H](C[C@@H]2CCCCN2)[NH2+]C1 238451257 573618941 /nfs/dbraw/zinc/61/89/41/573618941.db2.gz TVWQKHPNUULLSL-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H](C[C@@H]2CCCC[NH2+]2)NC1 238451257 573618950 /nfs/dbraw/zinc/61/89/50/573618950.db2.gz TVWQKHPNUULLSL-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CCC1CCC1 258823640 573619126 /nfs/dbraw/zinc/61/91/26/573619126.db2.gz UNTFHXXAKYMLQF-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@H+]1C[C@H](CN)CC[C@@H]1C1CC1 107457282 573619311 /nfs/dbraw/zinc/61/93/11/573619311.db2.gz MFMBBBFRPNOKNK-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1C[C@H](C[NH3+])CC[C@@H]1C1CC1 107457282 573619316 /nfs/dbraw/zinc/61/93/16/573619316.db2.gz MFMBBBFRPNOKNK-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCCC[C@@H]21 107457207 573619800 /nfs/dbraw/zinc/61/98/00/573619800.db2.gz VVOJICUEBYWOFT-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)(C)[C@@H]1[C@H](N)C2CC[NH+]1CC2 259530493 573619803 /nfs/dbraw/zinc/61/98/03/573619803.db2.gz BCAQIGUVFMERNH-ZJUUUORDSA-N 1 3 182.311 1.454 10 0 ADAEHO C[N@H+]1C[C@H](CN)[C@H]2CCCC[C@@H]21 107457207 573619808 /nfs/dbraw/zinc/61/98/08/573619808.db2.gz VVOJICUEBYWOFT-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC[C@H](N)C1(C[NH2+]C)CCC1 259532368 573620844 /nfs/dbraw/zinc/62/08/44/573620844.db2.gz SWUOISLEVPNLQN-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO N[C@@H]1CCC[N@H+](C2CCCC2)CC1 107460087 573621458 /nfs/dbraw/zinc/62/14/58/573621458.db2.gz CLRALDXZFPOPON-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+](C)CCC1CC1 308643783 573621238 /nfs/dbraw/zinc/62/12/38/573621238.db2.gz GIIQDTIYFCDYRH-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+](C)CCC1CC1 308643783 573621245 /nfs/dbraw/zinc/62/12/45/573621245.db2.gz GIIQDTIYFCDYRH-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H](C)N(C)CCC1CC1 308643783 573621252 /nfs/dbraw/zinc/62/12/52/573621252.db2.gz GIIQDTIYFCDYRH-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO NC1([C@H]2CCC[NH2+]C2)CC(F)(F)C1 259530212 573621335 /nfs/dbraw/zinc/62/13/35/573621335.db2.gz AZZXGNBMKRGBCP-ZETCQYMHSA-N 1 3 190.237 1.113 10 0 ADAEHO [NH3+]C1([C@H]2CCCNC2)CC(F)(F)C1 259530212 573621339 /nfs/dbraw/zinc/62/13/39/573621339.db2.gz AZZXGNBMKRGBCP-ZETCQYMHSA-N 1 3 190.237 1.113 10 0 ADAEHO Cc1ccsc1CCNCC[NH3+] 258823524 573621365 /nfs/dbraw/zinc/62/13/65/573621365.db2.gz UMBKJAHGHDMCRT-UHFFFAOYSA-N 1 3 184.308 1.147 10 0 ADAEHO N[C@@H]1CCC[N@@H+](C2CCCC2)CC1 107460087 573621450 /nfs/dbraw/zinc/62/14/50/573621450.db2.gz CLRALDXZFPOPON-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H]([NH2+]Cc1ccc(O)cc1)[C@@H](C)N 308658346 573624133 /nfs/dbraw/zinc/62/41/33/573624133.db2.gz OOPSWVKEKKOXBU-BDAKNGLRSA-N 1 3 194.278 1.218 10 0 ADAEHO [NH3+]C[C@]1(NC2CCCCC2)CCOC1 83760103 573624159 /nfs/dbraw/zinc/62/41/59/573624159.db2.gz YRIZMGSTLMZHEA-LLVKDONJSA-N 1 3 198.310 1.027 10 0 ADAEHO CC(C)(C)[C@H](N)C[C@@H]1CCC[NH2+]1 259530821 573623210 /nfs/dbraw/zinc/62/32/10/573623210.db2.gz WJOCMLFSCPQROQ-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@@H](N)C1(C[NH2+]C)CCC1 259532364 573623406 /nfs/dbraw/zinc/62/34/06/573623406.db2.gz SWUOISLEVPNLQN-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[NH2+]CC1([C@H](N)C2CCCC2)CC1 259532307 573623503 /nfs/dbraw/zinc/62/35/03/573623503.db2.gz SWPFPWISPAPBOM-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO CNCC1([C@H]([NH3+])C2CCCC2)CC1 259532307 573623508 /nfs/dbraw/zinc/62/35/08/573623508.db2.gz SWPFPWISPAPBOM-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO CN[C@H](c1ccccn1)C1CC([NH3+])C1 259131685 573623513 /nfs/dbraw/zinc/62/35/13/573623513.db2.gz BQIHUNAVRHAEPT-AMUVOQDHSA-N 1 3 191.278 1.079 10 0 ADAEHO C[NH2+][C@H](C[C@@H](C)N)C(C)(C)C 259131945 573623625 /nfs/dbraw/zinc/62/36/25/573623625.db2.gz AWBFBBDVQGQDRC-HTQZYQBOSA-N 1 3 158.289 1.358 10 0 ADAEHO COc1ccc([C@H](C)[NH3+])cc1CN 257834140 573623651 /nfs/dbraw/zinc/62/36/51/573623651.db2.gz KODDTIFRXOTQKI-ZETCQYMHSA-N 1 3 180.251 1.174 10 0 ADAEHO N[C@H]1CCC[N@@H+](C2CCCC2)CC1 107460083 573623673 /nfs/dbraw/zinc/62/36/73/573623673.db2.gz CLRALDXZFPOPON-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@H]1CCC[N@H+](C2CCCC2)CC1 107460083 573623682 /nfs/dbraw/zinc/62/36/82/573623682.db2.gz CLRALDXZFPOPON-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H](N)[C@@H](C)[NH2+]Cc1ccc(O)cc1 308658348 573623962 /nfs/dbraw/zinc/62/39/62/573623962.db2.gz OOPSWVKEKKOXBU-DTWKUNHWSA-N 1 3 194.278 1.218 10 0 ADAEHO C[NH2+][C@@H](C[C@H](C)N)C(C)(C)C 259131951 573624078 /nfs/dbraw/zinc/62/40/78/573624078.db2.gz AWBFBBDVQGQDRC-YUMQZZPRSA-N 1 3 158.289 1.358 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CCC1CCC1 258823638 573624334 /nfs/dbraw/zinc/62/43/34/573624334.db2.gz UNTFHXXAKYMLQF-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO [NH3+]C[C@@]1(NC2CCCCC2)CCOC1 83760101 573624543 /nfs/dbraw/zinc/62/45/43/573624543.db2.gz YRIZMGSTLMZHEA-NSHDSACASA-N 1 3 198.310 1.027 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@H+](C)CCC1CC1 308643782 573624580 /nfs/dbraw/zinc/62/45/80/573624580.db2.gz GIIQDTIYFCDYRH-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@@H+](C)CCC1CC1 308643782 573624587 /nfs/dbraw/zinc/62/45/87/573624587.db2.gz GIIQDTIYFCDYRH-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@@H](C)N(C)CCC1CC1 308643782 573624593 /nfs/dbraw/zinc/62/45/93/573624593.db2.gz GIIQDTIYFCDYRH-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)(C)[C@@H](N)C[C@@H]1CCC[NH2+]1 259530826 573624677 /nfs/dbraw/zinc/62/46/77/573624677.db2.gz WJOCMLFSCPQROQ-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)CCC1CC1 308643785 573624697 /nfs/dbraw/zinc/62/46/97/573624697.db2.gz GIIQDTIYFCDYRH-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)CCC1CC1 308643785 573624719 /nfs/dbraw/zinc/62/47/19/573624719.db2.gz GIIQDTIYFCDYRH-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)[C@@H](C)N(C)CCC1CC1 308643785 573624724 /nfs/dbraw/zinc/62/47/24/573624724.db2.gz GIIQDTIYFCDYRH-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@@H]([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308659365 573624736 /nfs/dbraw/zinc/62/47/36/573624736.db2.gz PINMKJWIEYUFSJ-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CNCC[C@H]([NH2+]C)C1CCCC1 259530880 573624802 /nfs/dbraw/zinc/62/48/02/573624802.db2.gz SUKAMMAVCOMVBO-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO CN[C@@H](c1ccccn1)C1CC([NH3+])C1 259131687 573624937 /nfs/dbraw/zinc/62/49/37/573624937.db2.gz BQIHUNAVRHAEPT-NWGYLPEXSA-N 1 3 191.278 1.079 10 0 ADAEHO CNCC[C@@H]([NH2+]C)C1CCCC1 259530882 573625093 /nfs/dbraw/zinc/62/50/93/573625093.db2.gz SUKAMMAVCOMVBO-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO Cc1ccn2c(CCC[NH3+])ncc2c1 257834115 573626069 /nfs/dbraw/zinc/62/60/69/573626069.db2.gz KGVPZQJPFLNVLR-UHFFFAOYSA-N 1 3 189.262 1.534 10 0 ADAEHO CCC[N@@H+]1C[C@H](CNC)CC1(C)C 259534890 573626176 /nfs/dbraw/zinc/62/61/76/573626176.db2.gz WHFJNKZZRYIJPI-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1C[C@H](CNC)CC1(C)C 259534890 573626183 /nfs/dbraw/zinc/62/61/83/573626183.db2.gz WHFJNKZZRYIJPI-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO C1C[NH2+]C[C@@H](CN[C@@H]2CC23CC3)C1 715322780 573626212 /nfs/dbraw/zinc/62/62/12/573626212.db2.gz WFHUQKFLAIJXML-VHSXEESVSA-N 1 3 180.295 1.128 10 0 ADAEHO CC[C@@H](C)[C@H]([NH3+])CN[C@H]1C[C@H]1CC 393543426 573626271 /nfs/dbraw/zinc/62/62/71/573626271.db2.gz AGGWAXJHRPFRAS-DBIOUOCHSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H](CN)[C@H]([NH+](C)C)C(C)(C)C 259532510 573626353 /nfs/dbraw/zinc/62/63/53/573626353.db2.gz NIJIONORGPXWSZ-IUCAKERBSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](N(C)C)C(C)(C)C 259532510 573626358 /nfs/dbraw/zinc/62/63/58/573626358.db2.gz NIJIONORGPXWSZ-IUCAKERBSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@H](CN)[C@H]([NH+](C)C)C(C)(C)C 259532508 573626815 /nfs/dbraw/zinc/62/68/15/573626815.db2.gz NIJIONORGPXWSZ-BDAKNGLRSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@H](C[NH3+])[C@H](N(C)C)C(C)(C)C 259532508 573626821 /nfs/dbraw/zinc/62/68/21/573626821.db2.gz NIJIONORGPXWSZ-BDAKNGLRSA-N 1 3 172.316 1.558 10 0 ADAEHO CC[C@@](C)([NH3+])CN1CCC[C@@H]1C 86809240 573630654 /nfs/dbraw/zinc/63/06/54/573630654.db2.gz LEOKGZCAADFHFP-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CN)[C@@H]([NH+](C)C)C(C)(C)C 259532509 573630733 /nfs/dbraw/zinc/63/07/33/573630733.db2.gz NIJIONORGPXWSZ-DTWKUNHWSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](N(C)C)C(C)(C)C 259532509 573630738 /nfs/dbraw/zinc/63/07/38/573630738.db2.gz NIJIONORGPXWSZ-DTWKUNHWSA-N 1 3 172.316 1.558 10 0 ADAEHO Cc1ccc([C@H](N)CC[C@@H](C)[NH3+])o1 259532709 573631104 /nfs/dbraw/zinc/63/11/04/573631104.db2.gz WLXFXLIUQXZNRA-VXNVDRBHSA-N 1 3 182.267 1.715 10 0 ADAEHO Cc1cccc([C@H](N)[C@H](C)C[NH3+])c1 259536026 573633061 /nfs/dbraw/zinc/63/30/61/573633061.db2.gz WRLRKPPEETUFRB-MWLCHTKSSA-N 1 3 178.279 1.590 10 0 ADAEHO CCC(N)(CC)C[NH+]1CCCCC1 86814296 573633074 /nfs/dbraw/zinc/63/30/74/573633074.db2.gz LKDHBHLUQPZBJE-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CC[C@@](C)(N)C[N@H+](C)C(C)C 86808843 573633297 /nfs/dbraw/zinc/63/32/97/573633297.db2.gz UFFQOPJZCAXJNU-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@](C)(N)C[N@@H+](C)C(C)C 86808843 573633301 /nfs/dbraw/zinc/63/33/01/573633301.db2.gz UFFQOPJZCAXJNU-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@](C)(N)C[NH+]1CCCCC1 86808880 573633375 /nfs/dbraw/zinc/63/33/75/573633375.db2.gz NADHDHYLRGRHRN-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO Cc1cccc([C@@H](N)[C@H](C)C[NH3+])c1 259536023 573633396 /nfs/dbraw/zinc/63/33/96/573633396.db2.gz WRLRKPPEETUFRB-KOLCDFICSA-N 1 3 178.279 1.590 10 0 ADAEHO CC[C@@](C)([NH3+])CN1CC[C@H](C)C1 86809388 573634205 /nfs/dbraw/zinc/63/42/05/573634205.db2.gz SHRBYKFFMHEAIL-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](c1c[nH]c(CN)c1)[NH+]1CCCC1 257835064 573633562 /nfs/dbraw/zinc/63/35/62/573633562.db2.gz KNTOBNINEZVKGP-SECBINFHSA-N 1 3 193.294 1.630 10 0 ADAEHO CCNCC([NH3+])(CC)CC 86814461 573633683 /nfs/dbraw/zinc/63/36/83/573633683.db2.gz NSSMVDSZMJMHBB-UHFFFAOYSA-N 1 3 144.262 1.113 10 0 ADAEHO CCCC[N@H+](C)C[C@](C)(N)CC 86808806 573633712 /nfs/dbraw/zinc/63/37/12/573633712.db2.gz JEDRKOGNIDEINJ-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](C)C[C@](C)(N)CC 86808806 573633718 /nfs/dbraw/zinc/63/37/18/573633718.db2.gz JEDRKOGNIDEINJ-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H](C)N(C)C 259534485 573633775 /nfs/dbraw/zinc/63/37/75/573633775.db2.gz NMEHJSQSOLDPBF-NXEZZACHSA-N 1 3 172.316 1.428 10 0 ADAEHO CCC(CC)NC[C@]1(C)CCC[NH2+]1 393544438 573633790 /nfs/dbraw/zinc/63/37/90/573633790.db2.gz BYIVLENCVGJGNF-NSHDSACASA-N 1 3 184.327 1.907 10 0 ADAEHO CCC(CC)[NH2+]C[C@]1(C)CCCN1 393544438 573633795 /nfs/dbraw/zinc/63/37/95/573633795.db2.gz BYIVLENCVGJGNF-NSHDSACASA-N 1 3 184.327 1.907 10 0 ADAEHO CC[C@](C)([NH3+])CN1CCC[C@@H]1C 86809237 573633881 /nfs/dbraw/zinc/63/38/81/573633881.db2.gz LEOKGZCAADFHFP-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO [NH3+][C@H]1CNCC[C@@H]1Cc1ccccc1 223674752 573633980 /nfs/dbraw/zinc/63/39/80/573633980.db2.gz AQIMFLQVFRYESV-NEPJUHHUSA-N 1 3 190.290 1.166 10 0 ADAEHO CN[C@H](CCC[NH2+]C)c1ccc(C)o1 259536254 573634100 /nfs/dbraw/zinc/63/41/00/573634100.db2.gz UWXGGMCUXAWZGW-SNVBAGLBSA-N 1 3 196.294 1.848 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)C(C)(C)CN 259536210 573634340 /nfs/dbraw/zinc/63/43/40/573634340.db2.gz UWUZAPGRYNDVOJ-JTQLQIEISA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H](CC(C)(C)[NH3+])N(C)C 259538169 573634278 /nfs/dbraw/zinc/63/42/78/573634278.db2.gz NPEOWQXDLUQCLY-ZETCQYMHSA-N 1 3 144.262 1.064 10 0 ADAEHO CCC(CC)[N@@H+]1C[C@@H](CN)C[C@@H]1C 126699415 573634294 /nfs/dbraw/zinc/63/42/94/573634294.db2.gz QQJUMBJVQFCQPH-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@H+]1C[C@@H](CN)C[C@@H]1C 126699415 573634299 /nfs/dbraw/zinc/63/42/99/573634299.db2.gz QQJUMBJVQFCQPH-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1cccc([C@@H](N)[C@@H](C)C[NH3+])c1 259536030 573634314 /nfs/dbraw/zinc/63/43/14/573634314.db2.gz WRLRKPPEETUFRB-ONGXEEELSA-N 1 3 178.279 1.590 10 0 ADAEHO CCC(CC)[N@@H+]1C[C@H](CN)C[C@@H]1C 126699152 573635731 /nfs/dbraw/zinc/63/57/31/573635731.db2.gz QQJUMBJVQFCQPH-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1cscc1[C@@H]1[NH2+]C[C@@H]2[C@@H](N)[C@H]12 238460368 573635262 /nfs/dbraw/zinc/63/52/62/573635262.db2.gz OTRKGASFNVFPAR-ZQNVIIHSSA-N 1 3 194.303 1.274 10 0 ADAEHO Cc1cscc1[C@@H]1NC[C@@H]2[C@@H]([NH3+])[C@H]12 238460368 573635267 /nfs/dbraw/zinc/63/52/67/573635267.db2.gz OTRKGASFNVFPAR-ZQNVIIHSSA-N 1 3 194.303 1.274 10 0 ADAEHO CC(C)OCCNCCC(C)(C)[NH3+] 393586265 573635345 /nfs/dbraw/zinc/63/53/45/573635345.db2.gz UCAHYHIMRLABNE-UHFFFAOYSA-N 1 3 188.315 1.128 10 0 ADAEHO C[C@H](C1CNC1)[NH+]1CCCCC1 258519159 573635635 /nfs/dbraw/zinc/63/56/35/573635635.db2.gz MCCPLJOGGLJHJY-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H](C1C[NH2+]C1)N1CCCCC1 258519159 573635639 /nfs/dbraw/zinc/63/56/39/573635639.db2.gz MCCPLJOGGLJHJY-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO Cc1cccc([C@H](N)[C@@H](C)C[NH3+])c1 259536020 573635658 /nfs/dbraw/zinc/63/56/58/573635658.db2.gz WRLRKPPEETUFRB-GXSJLCMTSA-N 1 3 178.279 1.590 10 0 ADAEHO CCC(CC)[N@H+]1C[C@H](CN)C[C@@H]1C 126699152 573635737 /nfs/dbraw/zinc/63/57/37/573635737.db2.gz QQJUMBJVQFCQPH-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+]C1(CNCCc2cccs2)CC1 259148424 573635817 /nfs/dbraw/zinc/63/58/17/573635817.db2.gz SCAUYNVEYAWFHF-UHFFFAOYSA-N 1 3 196.319 1.372 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cc[nH]c1 258826426 573635822 /nfs/dbraw/zinc/63/58/22/573635822.db2.gz DCBBRYRQUJBRFS-MNOVXSKESA-N 1 3 193.294 1.027 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C 308651426 573637049 /nfs/dbraw/zinc/63/70/49/573637049.db2.gz KLBGWBXQGYUGCT-GRYCIOLGSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@@H](C1CNC1)[NH+]1CCCCC1 258519163 573637052 /nfs/dbraw/zinc/63/70/52/573637052.db2.gz MCCPLJOGGLJHJY-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H](C1C[NH2+]C1)N1CCCCC1 258519163 573637055 /nfs/dbraw/zinc/63/70/55/573637055.db2.gz MCCPLJOGGLJHJY-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO CNCC[C@@H](CC(C)C)[NH2+]C 259145931 573639969 /nfs/dbraw/zinc/63/99/69/573639969.db2.gz BIGBKXWVMGMTES-VIFPVBQESA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1(C2CC2)CCC1 393643939 573639972 /nfs/dbraw/zinc/63/99/72/573639972.db2.gz DLUYMEXVEOTNEK-SNVBAGLBSA-N 1 3 196.338 1.894 10 0 ADAEHO CCN(CC)Cc1ncccc1C[NH3+] 257838548 573644428 /nfs/dbraw/zinc/64/44/28/573644428.db2.gz LIPQWYUIOBNPGF-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO C[C@H]1[C@H](CN)CCCC[N@@H+]1C 238461854 573639416 /nfs/dbraw/zinc/63/94/16/573639416.db2.gz HYZBTNRCKIVEOS-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1[C@H](CN)CCCC[N@H+]1C 238461854 573639419 /nfs/dbraw/zinc/63/94/19/573639419.db2.gz HYZBTNRCKIVEOS-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO NCC(C[NH3+])Cc1ccc(Cl)cc1 107561331 573639673 /nfs/dbraw/zinc/63/96/73/573639673.db2.gz CBJXCXALPGTIKX-UHFFFAOYSA-N 1 3 198.697 1.416 10 0 ADAEHO CCCC[N@@H+]1CC[C@@H](NC)C1(C)C 259536423 573639724 /nfs/dbraw/zinc/63/97/24/573639724.db2.gz WHNMCRNBVUPWQW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+]1CC[C@@H](NC)C1(C)C 259536423 573639730 /nfs/dbraw/zinc/63/97/30/573639730.db2.gz WHNMCRNBVUPWQW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCNC[C@@H]1C 308651429 573640888 /nfs/dbraw/zinc/64/08/88/573640888.db2.gz KLBGWBXQGYUGCT-WOPDTQHZSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1)C1CNC1 686247677 573641153 /nfs/dbraw/zinc/64/11/53/573641153.db2.gz ADZDSNHLCYYSFR-MMWGEVLESA-N 1 3 194.322 1.230 10 0 ADAEHO C[C@@H](CCCC[NH3+])NCc1ccno1 308651787 573641667 /nfs/dbraw/zinc/64/16/67/573641667.db2.gz KQJNQZVCCWGCOJ-VIFPVBQESA-N 1 3 197.282 1.282 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCNC[C@H]1C 308651428 573641861 /nfs/dbraw/zinc/64/18/61/573641861.db2.gz KLBGWBXQGYUGCT-UTUOFQBUSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@@H]1CC[C@H]2[C@H](C1)CN(C)C[C@H]2C[NH3+] 251773433 573642128 /nfs/dbraw/zinc/64/21/28/573642128.db2.gz KURHONZEZBDUDP-KKOKHZNYSA-N 1 3 196.338 1.559 10 0 ADAEHO NCc1cnccc1C1CC[NH2+]CC1 259538764 573642655 /nfs/dbraw/zinc/64/26/55/573642655.db2.gz BQXUBWNIKIKDEQ-UHFFFAOYSA-N 1 3 191.278 1.007 10 0 ADAEHO CC1(C)CCCC[C@]1(N)C[NH3+] 86846512 573642735 /nfs/dbraw/zinc/64/27/35/573642735.db2.gz HXZPULUBKGBBLT-VIFPVBQESA-N 1 3 156.273 1.243 10 0 ADAEHO CN[C@@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 259539496 573644462 /nfs/dbraw/zinc/64/44/62/573644462.db2.gz VCWVKCKZWIMCCN-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO CCN(C)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842162 573644521 /nfs/dbraw/zinc/64/45/21/573644521.db2.gz NPJADCXARKQFGR-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH+](CC)[C@@H](C)c1c[nH]c(CN)c1 257839325 573643805 /nfs/dbraw/zinc/64/38/05/573643805.db2.gz LPDCOLUSJJCBPL-VIFPVBQESA-N 1 3 195.310 1.876 10 0 ADAEHO Cc1cc(CN[C@@H](C)CCC[NH3+])on1 308655427 573644224 /nfs/dbraw/zinc/64/42/24/573644224.db2.gz NHMMKIXXAACXET-QMMMGPOBSA-N 1 3 197.282 1.200 10 0 ADAEHO CC[NH+](CC)[C@H](C)c1c[nH]c(CN)c1 257839322 573644540 /nfs/dbraw/zinc/64/45/40/573644540.db2.gz LPDCOLUSJJCBPL-SECBINFHSA-N 1 3 195.310 1.876 10 0 ADAEHO C[C@@H]1CCC[C@@H]1C[NH2+]CC(C)(C)CN 308654711 573644723 /nfs/dbraw/zinc/64/47/23/573644723.db2.gz MSXQNMNVOLNPRS-GHMZBOCLSA-N 1 3 198.354 1.997 10 0 ADAEHO CC[C@H]1C[NH2+]C[C@@H](CN)C12CCC2 107781327 573645065 /nfs/dbraw/zinc/64/50/65/573645065.db2.gz RVDJKEMJGWWXHY-VHSXEESVSA-N 1 3 182.311 1.361 10 0 ADAEHO CCN(C)[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86842159 573645150 /nfs/dbraw/zinc/64/51/50/573645150.db2.gz NPJADCXARKQFGR-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CCN[C@H]1CCC[NH2+]C1 43324055 573645437 /nfs/dbraw/zinc/64/54/37/573645437.db2.gz ANUKKBCHWWQJNZ-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)(CN)[NH2+]Cc1cccc(F)c1 258831968 573645515 /nfs/dbraw/zinc/64/55/15/573645515.db2.gz MIUUBYJTODSJCM-UHFFFAOYSA-N 1 3 196.269 1.653 10 0 ADAEHO CC[C@@H]1C[NH2+]C[C@@H](CN)C12CCC2 107781323 573645886 /nfs/dbraw/zinc/64/58/86/573645886.db2.gz RVDJKEMJGWWXHY-NXEZZACHSA-N 1 3 182.311 1.361 10 0 ADAEHO Cc1ccc([C@H](N)[C@H](C)CC[NH3+])o1 259539738 573645888 /nfs/dbraw/zinc/64/58/88/573645888.db2.gz WYYNUGIVFMBBOP-GMSGAONNSA-N 1 3 182.267 1.573 10 0 ADAEHO [NH3+]CCCNc1nc2c([nH]1)CCCC2 257838951 573645935 /nfs/dbraw/zinc/64/59/35/573645935.db2.gz BECYPELZFLQLEC-UHFFFAOYSA-N 1 3 194.282 1.049 10 0 ADAEHO Cc1ccc([C@H](N)[C@@H](C)CC[NH3+])o1 259539742 573646078 /nfs/dbraw/zinc/64/60/78/573646078.db2.gz WYYNUGIVFMBBOP-OIBJUYFYSA-N 1 3 182.267 1.573 10 0 ADAEHO CC[C@@H]1C[NH2+]C[C@H](CN)C12CCC2 107781316 573646482 /nfs/dbraw/zinc/64/64/82/573646482.db2.gz RVDJKEMJGWWXHY-ZJUUUORDSA-N 1 3 182.311 1.361 10 0 ADAEHO C[NH2+]CCCCN(C)c1ccncc1 258830735 573646489 /nfs/dbraw/zinc/64/64/89/573646489.db2.gz GCVFAKYESBIFNO-UHFFFAOYSA-N 1 3 193.294 1.517 10 0 ADAEHO C[C@H]1C[NH2+][C@H](CC2CCN(C)CC2)O1 258833717 573646540 /nfs/dbraw/zinc/64/65/40/573646540.db2.gz ZGESFMGMQAWENI-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1CN[C@H](CC2CC[NH+](C)CC2)O1 258833717 573646544 /nfs/dbraw/zinc/64/65/44/573646544.db2.gz ZGESFMGMQAWENI-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+]CC(C)(C)NCC1CCC1 258832023 573646601 /nfs/dbraw/zinc/64/66/01/573646601.db2.gz MJDKHEKEKDIQPW-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO Cc1cc(CN[C@H](C)CCC[NH3+])on1 308655426 573646674 /nfs/dbraw/zinc/64/66/74/573646674.db2.gz NHMMKIXXAACXET-MRVPVSSYSA-N 1 3 197.282 1.200 10 0 ADAEHO CC(C)CCN[C@@H]1CCC[NH2+]C1 43324053 573646835 /nfs/dbraw/zinc/64/68/35/573646835.db2.gz ANUKKBCHWWQJNZ-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO CCCCCN[C@H]1CCC[NH2+]C1 43323801 573647065 /nfs/dbraw/zinc/64/70/65/573647065.db2.gz WBHRQLJZHXJVBH-JTQLQIEISA-N 1 3 170.300 1.518 10 0 ADAEHO CC1(C)CCCC[C@@]1(N)C[NH3+] 86846514 573647026 /nfs/dbraw/zinc/64/70/26/573647026.db2.gz HXZPULUBKGBBLT-SECBINFHSA-N 1 3 156.273 1.243 10 0 ADAEHO CN(C)Cc1ccccc1NCC[NH3+] 308654237 573647058 /nfs/dbraw/zinc/64/70/58/573647058.db2.gz MKJVMBNBJCNVMW-UHFFFAOYSA-N 1 3 193.294 1.119 10 0 ADAEHO CN[C@H](C[C@H]1CCC[NH2+]1)C(C)(C)C 259539492 573649899 /nfs/dbraw/zinc/64/98/99/573649899.db2.gz VCWVKCKZWIMCCN-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO CCCCCN[C@@H]1CCC[NH2+]C1 43323800 573648560 /nfs/dbraw/zinc/64/85/60/573648560.db2.gz WBHRQLJZHXJVBH-SNVBAGLBSA-N 1 3 170.300 1.518 10 0 ADAEHO CN1C[C@@H](CC(C)(F)F)[C@H](C[NH3+])C1 259541096 573648000 /nfs/dbraw/zinc/64/80/00/573648000.db2.gz BTUDHQGRHWHNTC-HTQZYQBOSA-N 1 3 192.253 1.168 10 0 ADAEHO CN(C)C[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 86850876 573648014 /nfs/dbraw/zinc/64/80/14/573648014.db2.gz UEGDUTXJXWVTIT-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO Cc1ccc([C@@H](N)[C@@H](C)CC[NH3+])o1 259539749 573648260 /nfs/dbraw/zinc/64/82/60/573648260.db2.gz WYYNUGIVFMBBOP-XVKPBYJWSA-N 1 3 182.267 1.573 10 0 ADAEHO CN1C[C@@H](C[NH3+])[C@@H](CC(C)(F)F)C1 259541110 573648344 /nfs/dbraw/zinc/64/83/44/573648344.db2.gz BTUDHQGRHWHNTC-JGVFFNPUSA-N 1 3 192.253 1.168 10 0 ADAEHO [NH3+]C1CC(c2ncc3ccccn23)C1 259540171 573648369 /nfs/dbraw/zinc/64/83/69/573648369.db2.gz QXFDJCPGXKXUSS-UHFFFAOYSA-N 1 3 187.246 1.539 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@@H](CC(C)(F)F)C1 259541123 573648425 /nfs/dbraw/zinc/64/84/25/573648425.db2.gz BTUDHQGRHWHNTC-YUMQZZPRSA-N 1 3 192.253 1.168 10 0 ADAEHO CN[C@@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259539493 573649464 /nfs/dbraw/zinc/64/94/64/573649464.db2.gz VCWVKCKZWIMCCN-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO CN(C)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850878 573649619 /nfs/dbraw/zinc/64/96/19/573649619.db2.gz UEGDUTXJXWVTIT-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[NH2+][C@@H](CC2CCN(C)CC2)O1 258833684 573649647 /nfs/dbraw/zinc/64/96/47/573649647.db2.gz ZGESFMGMQAWENI-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1CN[C@@H](CC2CC[NH+](C)CC2)O1 258833684 573649660 /nfs/dbraw/zinc/64/96/60/573649660.db2.gz ZGESFMGMQAWENI-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO CN(C)C[C@H]1CCCC(C)(C)[C@H]1[NH3+] 86850874 573649843 /nfs/dbraw/zinc/64/98/43/573649843.db2.gz UEGDUTXJXWVTIT-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(C)C[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] 86850879 573650405 /nfs/dbraw/zinc/65/04/05/573650405.db2.gz UEGDUTXJXWVTIT-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@H]1[C@H](CN(C)C)CCCC1(C)C 86850884 573650514 /nfs/dbraw/zinc/65/05/14/573650514.db2.gz VTPCMOLDZZBYQA-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H]1[C@@H](CN(C)C)CCCC1(C)C 86850881 573651119 /nfs/dbraw/zinc/65/11/19/573651119.db2.gz VTPCMOLDZZBYQA-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)(C)[C@H](CN)C[NH2+]C1CCC1 258080752 573651230 /nfs/dbraw/zinc/65/12/30/573651230.db2.gz JEKCKUYQQRDEOI-SECBINFHSA-N 1 3 184.327 1.750 10 0 ADAEHO CCN(CC)C[C@H]1C[NH2+]CC[C@@H]1F 257841617 573652777 /nfs/dbraw/zinc/65/27/77/573652777.db2.gz MICYLKNEGMETKA-ZJUUUORDSA-N 1 3 188.290 1.276 10 0 ADAEHO CCN(CC)C[C@@H]1C[NH2+]CC[C@@H]1F 257841614 573653651 /nfs/dbraw/zinc/65/36/51/573653651.db2.gz MICYLKNEGMETKA-UWVGGRQHSA-N 1 3 188.290 1.276 10 0 ADAEHO [NH3+]C1(CCN2CCCCC2)CCC1 86853820 573653735 /nfs/dbraw/zinc/65/37/35/573653735.db2.gz UFZJLXZFFHGQQS-UHFFFAOYSA-N 1 3 182.311 1.744 10 0 ADAEHO CNC[C@@]1(C2CCCC2)CCC[N@@H+]1C 258505400 573654017 /nfs/dbraw/zinc/65/40/17/573654017.db2.gz BERWHJCDDUMZML-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@]1(C2CCCC2)CCC[N@H+]1C 258505400 573654021 /nfs/dbraw/zinc/65/40/21/573654021.db2.gz BERWHJCDDUMZML-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(C)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86856085 573654238 /nfs/dbraw/zinc/65/42/38/573654238.db2.gz OMFQWZHQCOJUCC-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)(C)[C@@H](CN)C[NH2+]C1CCC1 258080753 573654373 /nfs/dbraw/zinc/65/43/73/573654373.db2.gz JEKCKUYQQRDEOI-VIFPVBQESA-N 1 3 184.327 1.750 10 0 ADAEHO CC1(C)C[C@@H]([C@H]2CCCCN2)C[NH2+]1 258081047 573657059 /nfs/dbraw/zinc/65/70/59/573657059.db2.gz FWQWSPVZJZBGGY-NXEZZACHSA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)CCC[C@H]1[NH+]1CCC(N)CC1 86866644 573661168 /nfs/dbraw/zinc/66/11/68/573661168.db2.gz QDTZKXWWPMDPQD-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[C@H]1N1CCC([NH3+])CC1 86866644 573661175 /nfs/dbraw/zinc/66/11/75/573661175.db2.gz QDTZKXWWPMDPQD-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1[C@@H]2CCC[C@@H]2NC[C@@H]2CCC[N@@H+]21 238472823 573662426 /nfs/dbraw/zinc/66/24/26/573662426.db2.gz IZJFQWCPGXRFQD-RHYQMDGZSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1[C@@H]2CCC[C@@H]2NC[C@@H]2CCC[N@H+]21 238472823 573662430 /nfs/dbraw/zinc/66/24/30/573662430.db2.gz IZJFQWCPGXRFQD-RHYQMDGZSA-N 1 3 194.322 1.611 10 0 ADAEHO C[NH2+]CCNCC(C)(C)C1CCC1 258849398 573662445 /nfs/dbraw/zinc/66/24/45/573662445.db2.gz XEMSZZUPQVTNDH-UHFFFAOYSA-N 1 3 184.327 1.622 10 0 ADAEHO CC1(C)[C@H](CN)CC[N@@H+]1C1CCCC1 259546031 573664985 /nfs/dbraw/zinc/66/49/85/573664985.db2.gz WYXBNRNJEJTHLA-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)[C@H](CN)CC[N@H+]1C1CCCC1 259546031 573664991 /nfs/dbraw/zinc/66/49/91/573664991.db2.gz WYXBNRNJEJTHLA-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[C@@H](C[NH+]2CCCC2)[C@@H]1N 86871014 573664459 /nfs/dbraw/zinc/66/44/59/573664459.db2.gz VBCQLVVHDCCZTH-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(C)C[C@@H]1CCC(C)(C)[C@H]1[NH3+] 86871184 573664720 /nfs/dbraw/zinc/66/47/20/573664720.db2.gz MVNCKRQLBXDEQQ-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CC1(C)[C@@H](CN)CC[N@@H+]1C1CCCC1 259546034 573664820 /nfs/dbraw/zinc/66/48/20/573664820.db2.gz WYXBNRNJEJTHLA-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)[C@@H](CN)CC[N@H+]1C1CCCC1 259546034 573664825 /nfs/dbraw/zinc/66/48/25/573664825.db2.gz WYXBNRNJEJTHLA-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)CCC1CC1 308410437 573667000 /nfs/dbraw/zinc/66/70/00/573667000.db2.gz OBIWRDJUSSVCKI-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](CNC)C[NH2+]CC(C)(C)C 258856259 573666055 /nfs/dbraw/zinc/66/60/55/573666055.db2.gz AEPUHHVQRJIGJB-JTQLQIEISA-N 1 3 186.343 1.868 10 0 ADAEHO C[C@@H](CC(F)F)N[C@@H](C)C1C[NH2+]C1 686248444 573666095 /nfs/dbraw/zinc/66/60/95/573666095.db2.gz OEIFMORRIMQARC-BQBZGAKWSA-N 1 3 192.253 1.228 10 0 ADAEHO C[C@@H](CC(F)F)[NH2+][C@@H](C)C1CNC1 686248444 573666101 /nfs/dbraw/zinc/66/61/01/573666101.db2.gz OEIFMORRIMQARC-BQBZGAKWSA-N 1 3 192.253 1.228 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)CCC1CC1 308661754 573666222 /nfs/dbraw/zinc/66/62/22/573666222.db2.gz QGSXRBQNNKIUNC-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)CCC1CC1 308661754 573666228 /nfs/dbraw/zinc/66/62/28/573666228.db2.gz QGSXRBQNNKIUNC-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)CCC1CC1 308410437 573667004 /nfs/dbraw/zinc/66/70/04/573667004.db2.gz OBIWRDJUSSVCKI-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H]1CCCCN1 83823573 573666527 /nfs/dbraw/zinc/66/65/27/573666527.db2.gz FTCNBVIZGWKZFF-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CN[C@H](C)C[C@@H]1CCCC[NH2+]1 83823573 573666530 /nfs/dbraw/zinc/66/65/30/573666530.db2.gz FTCNBVIZGWKZFF-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N(C)CCC1CC1 308410437 573667009 /nfs/dbraw/zinc/66/70/09/573667009.db2.gz OBIWRDJUSSVCKI-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](C)CCC1CC1 308410426 573666543 /nfs/dbraw/zinc/66/65/43/573666543.db2.gz OBIWRDJUSSVCKI-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](C)CCC1CC1 308410426 573666549 /nfs/dbraw/zinc/66/65/49/573666549.db2.gz OBIWRDJUSSVCKI-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N(C)CCC1CC1 308410426 573666556 /nfs/dbraw/zinc/66/65/56/573666556.db2.gz OBIWRDJUSSVCKI-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+][C@H]1[C@@H](CN(C)C)CCC1(C)C 86871165 573666571 /nfs/dbraw/zinc/66/65/71/573666571.db2.gz PSJKNQWMMKASPO-ZJUUUORDSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H](CNC)C[NH2+]CC(C)(C)C 258856262 573666868 /nfs/dbraw/zinc/66/68/68/573666868.db2.gz AEPUHHVQRJIGJB-SNVBAGLBSA-N 1 3 186.343 1.868 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H]1C[C@@H](C)N 107947734 573670962 /nfs/dbraw/zinc/67/09/62/573670962.db2.gz KQXSARUBYWMAPH-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+]1CCCC[C@@H]1C[C@@H](C)N 107947734 573670974 /nfs/dbraw/zinc/67/09/74/573670974.db2.gz KQXSARUBYWMAPH-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN1CCCC[C@@H]1C[C@@H](C)[NH3+] 107947734 573670982 /nfs/dbraw/zinc/67/09/82/573670982.db2.gz KQXSARUBYWMAPH-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]([NH3+])C[C@H]1CCCCN1C 107948063 573672417 /nfs/dbraw/zinc/67/24/17/573672417.db2.gz WZXGBRSHHPOVFZ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CC(F)F)N[C@H](C)C1C[NH2+]C1 686248445 573669334 /nfs/dbraw/zinc/66/93/34/573669334.db2.gz OEIFMORRIMQARC-NKWVEPMBSA-N 1 3 192.253 1.228 10 0 ADAEHO C[C@@H](CC(F)F)[NH2+][C@H](C)C1CNC1 686248445 573669341 /nfs/dbraw/zinc/66/93/41/573669341.db2.gz OEIFMORRIMQARC-NKWVEPMBSA-N 1 3 192.253 1.228 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)CCC1CC1 308411793 573670061 /nfs/dbraw/zinc/67/00/61/573670061.db2.gz OPGKNTGIJVPABH-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 126761524 573670251 /nfs/dbraw/zinc/67/02/51/573670251.db2.gz HBQASOUNNJJUIX-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 126761524 573670257 /nfs/dbraw/zinc/67/02/57/573670257.db2.gz HBQASOUNNJJUIX-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCc1ncc2cccc(C[NH3+])n12 258076895 573673666 /nfs/dbraw/zinc/67/36/66/573673666.db2.gz VQXXPAOSQBCVMB-UHFFFAOYSA-N 1 3 189.262 1.746 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)CCC1CC1 308661755 573670464 /nfs/dbraw/zinc/67/04/64/573670464.db2.gz QGSXRBQNNKIUNC-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)CCC1CC1 308661755 573670469 /nfs/dbraw/zinc/67/04/69/573670469.db2.gz QGSXRBQNNKIUNC-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)CCC1CC1 308661753 573670558 /nfs/dbraw/zinc/67/05/58/573670558.db2.gz QGSXRBQNNKIUNC-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)CCC1CC1 308661753 573670562 /nfs/dbraw/zinc/67/05/62/573670562.db2.gz QGSXRBQNNKIUNC-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]CC1(CN(C)C(C)C)CCC1 258868496 573670796 /nfs/dbraw/zinc/67/07/96/573670796.db2.gz BCBCERODXNWADO-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO [NH3+]CC1(CNCc2cc[nH]c2)CCC1 258867277 573670885 /nfs/dbraw/zinc/67/08/85/573670885.db2.gz HQXDMQJYDXBNDE-UHFFFAOYSA-N 1 3 193.294 1.233 10 0 ADAEHO NCC1(C[NH2+]Cc2cc[nH]c2)CCC1 258867277 573670888 /nfs/dbraw/zinc/67/08/88/573670888.db2.gz HQXDMQJYDXBNDE-UHFFFAOYSA-N 1 3 193.294 1.233 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H]2C3CCN(CC3)[C@@H]12 107959251 573671060 /nfs/dbraw/zinc/67/10/60/573671060.db2.gz RUXDLVAGOMJWKV-DCAQKATOSA-N 1 3 180.295 1.066 10 0 ADAEHO CN(CCC1CCC1)C[C@H]1CC[NH2+]C1 258873048 573671078 /nfs/dbraw/zinc/67/10/78/573671078.db2.gz JTVIEMFHTYTLCT-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]2C3CCN(CC3)[C@H]12 107959241 573671121 /nfs/dbraw/zinc/67/11/21/573671121.db2.gz RUXDLVAGOMJWKV-HBNTYKKESA-N 1 3 180.295 1.066 10 0 ADAEHO CC(C)[C@@H]([NH3+])C[C@@H]1CCCCN1C 107948137 573671347 /nfs/dbraw/zinc/67/13/47/573671347.db2.gz MIVUTNCVCWLQRP-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]([NH3+])C[C@H]1CCCCN1C 107948145 573671418 /nfs/dbraw/zinc/67/14/18/573671418.db2.gz MIVUTNCVCWLQRP-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+]1CCCC[C@H]1C[C@@H](C)N 107947737 573671923 /nfs/dbraw/zinc/67/19/23/573671923.db2.gz KQXSARUBYWMAPH-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+]1CCCC[C@H]1C[C@@H](C)N 107947737 573671927 /nfs/dbraw/zinc/67/19/27/573671927.db2.gz KQXSARUBYWMAPH-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN1CCCC[C@H]1C[C@@H](C)[NH3+] 107947737 573671934 /nfs/dbraw/zinc/67/19/34/573671934.db2.gz KQXSARUBYWMAPH-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]([NH3+])C[C@@H]1CCCCN1C 107948057 573672647 /nfs/dbraw/zinc/67/26/47/573672647.db2.gz WZXGBRSHHPOVFZ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CNC)C[NH2+]CC1CCC1 258873704 573672764 /nfs/dbraw/zinc/67/27/64/573672764.db2.gz BMOGKIPZAFGMJU-JTQLQIEISA-N 1 3 184.327 1.622 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1C[C@@H]1C1CC1)C1CNC1 686248869 573672889 /nfs/dbraw/zinc/67/28/89/573672889.db2.gz SIGJIFBTYLDGHE-MKPLZMMCSA-N 1 3 194.322 1.230 10 0 ADAEHO CC[C@H]([NH3+])C[C@@H]1CCCCN1C 107948053 573673077 /nfs/dbraw/zinc/67/30/77/573673077.db2.gz WZXGBRSHHPOVFZ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO Cc1cc(CCNCC[NH3+])ccc1F 258867143 573673156 /nfs/dbraw/zinc/67/31/56/573673156.db2.gz ZLDSLZMKFWEZRF-UHFFFAOYSA-N 1 3 196.269 1.225 10 0 ADAEHO CN(CCC1CCC1)C[C@@H]1CC[NH2+]C1 258873044 573673255 /nfs/dbraw/zinc/67/32/55/573673255.db2.gz JTVIEMFHTYTLCT-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1C[C@H]1C1CC1)C1CNC1 686248873 573673388 /nfs/dbraw/zinc/67/33/88/573673388.db2.gz SIGJIFBTYLDGHE-XRNSZHNASA-N 1 3 194.322 1.230 10 0 ADAEHO CC[C@@H]([NH3+])C[C@H]1CCCCN1C 107948066 573673520 /nfs/dbraw/zinc/67/35/20/573673520.db2.gz WZXGBRSHHPOVFZ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[C@H]([NH3+])C[C@H]1CCCCN1C 107948141 573673950 /nfs/dbraw/zinc/67/39/50/573673950.db2.gz MIVUTNCVCWLQRP-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CNC)C[NH2+]CC1CCC1 258873708 573674034 /nfs/dbraw/zinc/67/40/34/573674034.db2.gz BMOGKIPZAFGMJU-SNVBAGLBSA-N 1 3 184.327 1.622 10 0 ADAEHO CC(C)[C@H]([NH3+])C[C@@H]1CCCCN1C 107948134 573674059 /nfs/dbraw/zinc/67/40/59/573674059.db2.gz MIVUTNCVCWLQRP-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN1CCC[C@H](C2([NH3+])CCCC2)C1 258075906 573674179 /nfs/dbraw/zinc/67/41/79/573674179.db2.gz QQTUQUVZQKSEMQ-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)CCC1CC1 308411795 573674180 /nfs/dbraw/zinc/67/41/80/573674180.db2.gz OPGKNTGIJVPABH-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]2C3CCN(CC3)[C@@H]12 107959247 573674204 /nfs/dbraw/zinc/67/42/04/573674204.db2.gz RUXDLVAGOMJWKV-AXFHLTTASA-N 1 3 180.295 1.066 10 0 ADAEHO Cc1ccc(CC[NH2+]CC(C)(C)N)o1 258867884 573674291 /nfs/dbraw/zinc/67/42/91/573674291.db2.gz OXPGYIXDQFLPIT-UHFFFAOYSA-N 1 3 196.294 1.457 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H]2C3CCN(CC3)[C@H]12 107959243 573674340 /nfs/dbraw/zinc/67/43/40/573674340.db2.gz RUXDLVAGOMJWKV-GARJFASQSA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@H]([NH3+])[C@@H]1CC[C@H]2C3CCN(CC3)[C@@H]21 107959199 573674446 /nfs/dbraw/zinc/67/44/46/573674446.db2.gz ZGRXHITYHBWWFO-PDEGPIFNSA-N 1 3 194.322 1.454 10 0 ADAEHO CC(C)(CN)[C@H]([NH3+])C1CCCCC1 259154840 573674463 /nfs/dbraw/zinc/67/44/63/573674463.db2.gz DICLEADDPFHTKU-SNVBAGLBSA-N 1 3 184.327 1.879 10 0 ADAEHO C[NH2+]CC(C)(C)NCC1CCCC1 258873964 573674625 /nfs/dbraw/zinc/67/46/25/573674625.db2.gz PKSIPVBVATXKST-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO CCN1CCC[C@@H](C2([NH3+])CCCC2)C1 258075905 573675453 /nfs/dbraw/zinc/67/54/53/573675453.db2.gz QQTUQUVZQKSEMQ-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO C[NH2+]CCCCNCc1ccccn1 258871113 573674758 /nfs/dbraw/zinc/67/47/58/573674758.db2.gz ZSLIMDDAHAEUQT-UHFFFAOYSA-N 1 3 193.294 1.171 10 0 ADAEHO C[NH2+]CCCCNCc1ccoc1 130810582 573675024 /nfs/dbraw/zinc/67/50/24/573675024.db2.gz WIERBHNBJJGLBY-UHFFFAOYSA-N 1 3 182.267 1.369 10 0 ADAEHO CC[N@H+](CCCN)CCCCOC 130809033 573675068 /nfs/dbraw/zinc/67/50/68/573675068.db2.gz VXKCVNWQKKYGKK-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CC[N@@H+](CCCN)CCCCOC 130809033 573675070 /nfs/dbraw/zinc/67/50/70/573675070.db2.gz VXKCVNWQKKYGKK-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CCN(CCC[NH3+])CCCCOC 130809033 573675075 /nfs/dbraw/zinc/67/50/75/573675075.db2.gz VXKCVNWQKKYGKK-UHFFFAOYSA-N 1 3 188.315 1.084 10 0 ADAEHO CC(C)(CN)[C@@H]([NH3+])C1CCCCC1 259154837 573675182 /nfs/dbraw/zinc/67/51/82/573675182.db2.gz DICLEADDPFHTKU-JTQLQIEISA-N 1 3 184.327 1.879 10 0 ADAEHO C[C@@H]([NH3+])CCCNCc1ccoc1 130808139 573675287 /nfs/dbraw/zinc/67/52/87/573675287.db2.gz MDZCDVOOBICAEO-SECBINFHSA-N 1 3 182.267 1.497 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C1CC1)C1CNC1 686248870 573675211 /nfs/dbraw/zinc/67/52/11/573675211.db2.gz SIGJIFBTYLDGHE-PTOFAABTSA-N 1 3 194.322 1.230 10 0 ADAEHO CN(CCC1CCC1)CC1(C[NH3+])CC1 258869318 573675243 /nfs/dbraw/zinc/67/52/43/573675243.db2.gz HSIUOTIMPZCHDA-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO CN1CCC(C[C@](C)(F)C[NH3+])CC1 257845920 573675367 /nfs/dbraw/zinc/67/53/67/573675367.db2.gz NRLKZIPURNWLEE-JTQLQIEISA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]1CN(c2ccncc2)CC[C@@H]1[NH3+] 86887146 573675381 /nfs/dbraw/zinc/67/53/81/573675381.db2.gz IHPKGEAYDVRGMK-ONGXEEELSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308412929 573676240 /nfs/dbraw/zinc/67/62/40/573676240.db2.gz PEBDDIGCECMMDG-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@@H]1[C@H]2CCCC[C@H]21 308412929 573676242 /nfs/dbraw/zinc/67/62/42/573676242.db2.gz PEBDDIGCECMMDG-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO CN1CCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258090548 573676926 /nfs/dbraw/zinc/67/69/26/573676926.db2.gz GMCKKTKNVOABSS-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)=CCN1CC[C@H]([NH3+])[C@@H](C)C1 86886374 573676363 /nfs/dbraw/zinc/67/63/63/573676363.db2.gz PRRQJCGXNBWETH-QWRGUYRKSA-N 1 3 182.311 1.622 10 0 ADAEHO C[NH2+][C@H](C1CCC1)C(C)(C)CN 259549066 573676433 /nfs/dbraw/zinc/67/64/33/573676433.db2.gz VQKVCUUDXXZMOA-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@@H]([NH2+]C[C@@]1(C)CC1(C)C)C1CNC1 686248741 573676595 /nfs/dbraw/zinc/67/65/95/573676595.db2.gz RUAUFTPSQDZWBN-BXKDBHETSA-N 1 3 196.338 1.620 10 0 ADAEHO C[NH2+]CC(C)(C)Nc1ccncc1 258867909 573676654 /nfs/dbraw/zinc/67/66/54/573676654.db2.gz OXVCWEPQKAVIOQ-UHFFFAOYSA-N 1 3 179.267 1.492 10 0 ADAEHO C[C@@H]([NH2+][C@H](C)C1(C)CC1)C1CNC1 686248895 573676712 /nfs/dbraw/zinc/67/67/12/573676712.db2.gz SLOPAZHISAFZAX-RKDXNWHRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+]C[C@]1(C)CC1(C)C)C1CNC1 686248821 573677002 /nfs/dbraw/zinc/67/70/02/573677002.db2.gz RUAUFTPSQDZWBN-CABZTGNLSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H](CN)C1 107981748 573677142 /nfs/dbraw/zinc/67/71/42/573677142.db2.gz RLRULQGBINOQNX-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO CC[N@H+]1CCCC[C@@H](CN)C1 107981748 573677148 /nfs/dbraw/zinc/67/71/48/573677148.db2.gz RLRULQGBINOQNX-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO C[C@@H]([NH2+]C[C@]1(C)CC1(C)C)C1CNC1 686248830 573677150 /nfs/dbraw/zinc/67/71/50/573677150.db2.gz RUAUFTPSQDZWBN-SKDRFNHKSA-N 1 3 196.338 1.620 10 0 ADAEHO NC[C@@H](C[NH+]1CCCC1)C1CCC1 258089986 573677153 /nfs/dbraw/zinc/67/71/53/573677153.db2.gz DKQBXWWHPWKYJQ-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](C[C@@H]2NCCO2)C1 258089931 573677205 /nfs/dbraw/zinc/67/72/05/573677205.db2.gz JNTXYYRADKNEOE-WDEREUQCSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](C[C@@H]2NCCO2)C1 258089931 573677211 /nfs/dbraw/zinc/67/72/11/573677211.db2.gz JNTXYYRADKNEOE-WDEREUQCSA-N 1 3 198.310 1.053 10 0 ADAEHO CC1CC([N@@H+]2CCC[C@H](N)C2)C1 108004375 573677236 /nfs/dbraw/zinc/67/72/36/573677236.db2.gz GTYSLJJUXXJZLJ-KYHHOPLUSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1CC([N@H+]2CCC[C@H](N)C2)C1 108004375 573677240 /nfs/dbraw/zinc/67/72/40/573677240.db2.gz GTYSLJJUXXJZLJ-KYHHOPLUSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+][C@@H](C1CCC1)C(C)(C)CN 259549070 573677339 /nfs/dbraw/zinc/67/73/39/573677339.db2.gz VQKVCUUDXXZMOA-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H]1CN2CCC1CC2 107977825 573677364 /nfs/dbraw/zinc/67/73/64/573677364.db2.gz VJPXXGGYDDODHE-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]([NH3+])CCCCNCc1ccoc1 130808986 573677377 /nfs/dbraw/zinc/67/73/77/573677377.db2.gz CKMMXGFXTYRIHW-JTQLQIEISA-N 1 3 196.294 1.887 10 0 ADAEHO CC[C@@H]([NH3+])[C@H]1CN2CCC1CC2 107977817 573677424 /nfs/dbraw/zinc/67/74/24/573677424.db2.gz OLAMKAPBHFDOLN-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[N@@H+]1CCCC[C@H](CN)C1 107981746 573677582 /nfs/dbraw/zinc/67/75/82/573677582.db2.gz RLRULQGBINOQNX-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO CC[N@H+]1CCCC[C@H](CN)C1 107981746 573677592 /nfs/dbraw/zinc/67/75/92/573677592.db2.gz RLRULQGBINOQNX-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO COCCCC[C@H]([NH3+])CCN(C)C 393548013 573677723 /nfs/dbraw/zinc/67/77/23/573677723.db2.gz PTUXXBBOJPPQPW-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](N)[C@H](C)C2)C1 86884224 573677938 /nfs/dbraw/zinc/67/79/38/573677938.db2.gz DGNMTSGQSKPWTI-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H]1CN2CCC1CC2 107977822 573677939 /nfs/dbraw/zinc/67/79/39/573677939.db2.gz VJPXXGGYDDODHE-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](N)[C@H](C)C2)C1 86884224 573677945 /nfs/dbraw/zinc/67/79/45/573677945.db2.gz DGNMTSGQSKPWTI-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[N@@H+](CC1CCC1)C[C@@H](C)CN 83838123 573678505 /nfs/dbraw/zinc/67/85/05/573678505.db2.gz FDVODVORPLXAJN-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)([NH3+])CCCNCc1ccoc1 130811842 573678148 /nfs/dbraw/zinc/67/81/48/573678148.db2.gz GUPJILLGDWXKNB-UHFFFAOYSA-N 1 3 196.294 1.887 10 0 ADAEHO CN1CCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258090550 573678208 /nfs/dbraw/zinc/67/82/08/573678208.db2.gz GMCKKTKNVOABSS-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@H+](CC1CCC1)C[C@@H](C)CN 83838123 573678510 /nfs/dbraw/zinc/67/85/10/573678510.db2.gz FDVODVORPLXAJN-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]([NH2+][C@H](C)C1CNC1)C1(C)CC1 686248890 573678478 /nfs/dbraw/zinc/67/84/78/573678478.db2.gz SLOPAZHISAFZAX-BDAKNGLRSA-N 1 3 182.311 1.373 10 0 ADAEHO CN[C@@H](CC[NH3+])c1cccs1 259548452 573678327 /nfs/dbraw/zinc/67/83/27/573678327.db2.gz UMEKXBLOSKSSFQ-ZETCQYMHSA-N 1 3 170.281 1.357 10 0 ADAEHO CC1CC([N@@H+]2CCC[C@@H](N)C2)C1 108004381 573678361 /nfs/dbraw/zinc/67/83/61/573678361.db2.gz GTYSLJJUXXJZLJ-HWOCKDDLSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1CC([N@H+]2CCC[C@@H](N)C2)C1 108004381 573678368 /nfs/dbraw/zinc/67/83/68/573678368.db2.gz GTYSLJJUXXJZLJ-HWOCKDDLSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](C[C@H]2NCCO2)C1 258089922 573678371 /nfs/dbraw/zinc/67/83/71/573678371.db2.gz JNTXYYRADKNEOE-MNOVXSKESA-N 1 3 198.310 1.053 10 0 ADAEHO CN1CCC(C[C@@](C)(F)C[NH3+])CC1 257845922 573678373 /nfs/dbraw/zinc/67/83/73/573678373.db2.gz NRLKZIPURNWLEE-SNVBAGLBSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](C[C@H]2NCCO2)C1 258089922 573678377 /nfs/dbraw/zinc/67/83/77/573678377.db2.gz JNTXYYRADKNEOE-MNOVXSKESA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H]1CN2CCC1CC2 107977831 573680223 /nfs/dbraw/zinc/68/02/23/573680223.db2.gz VJPXXGGYDDODHE-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258090547 573680228 /nfs/dbraw/zinc/68/02/28/573680228.db2.gz GMCKKTKNVOABSS-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](C[C@H]2NCCO2)C1 258089925 573680412 /nfs/dbraw/zinc/68/04/12/573680412.db2.gz JNTXYYRADKNEOE-QWRGUYRKSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](C[C@H]2NCCO2)C1 258089925 573680416 /nfs/dbraw/zinc/68/04/16/573680416.db2.gz JNTXYYRADKNEOE-QWRGUYRKSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]([NH2+][C@H](C)C1(C)CC1)C1CNC1 686248893 573680429 /nfs/dbraw/zinc/68/04/29/573680429.db2.gz SLOPAZHISAFZAX-DTWKUNHWSA-N 1 3 182.311 1.373 10 0 ADAEHO CN[C@H](CC[NH3+])c1cccs1 259548450 573680545 /nfs/dbraw/zinc/68/05/45/573680545.db2.gz UMEKXBLOSKSSFQ-SSDOTTSWSA-N 1 3 170.281 1.357 10 0 ADAEHO CCC[N@@H+]1CCCC[C@@H](CN)C1 107981754 573680569 /nfs/dbraw/zinc/68/05/69/573680569.db2.gz WOHOVSVBKDQUSA-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[N@H+]1CCCC[C@@H](CN)C1 107981754 573680575 /nfs/dbraw/zinc/68/05/75/573680575.db2.gz WOHOVSVBKDQUSA-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CN1CCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258090552 573680587 /nfs/dbraw/zinc/68/05/87/573680587.db2.gz GMCKKTKNVOABSS-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO NC[C@H](C[NH+]1CCCC1)C1CCC1 258089984 573680998 /nfs/dbraw/zinc/68/09/98/573680998.db2.gz DKQBXWWHPWKYJQ-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](C[C@@H]2NCCO2)C1 258089918 573681099 /nfs/dbraw/zinc/68/10/99/573681099.db2.gz JNTXYYRADKNEOE-GHMZBOCLSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](C[C@@H]2NCCO2)C1 258089918 573681104 /nfs/dbraw/zinc/68/11/04/573681104.db2.gz JNTXYYRADKNEOE-GHMZBOCLSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@H]([NH3+])[C@H]1CN2CCC1CC2 107977814 573681140 /nfs/dbraw/zinc/68/11/40/573681140.db2.gz OLAMKAPBHFDOLN-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)C[C@@H]1C 130843982 573683888 /nfs/dbraw/zinc/68/38/88/573683888.db2.gz OTSJBYNORMRUEK-NNYUYHANSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[NH+](CC)[C@H](C)c1ccc(CN)[nH]1 257847263 573683929 /nfs/dbraw/zinc/68/39/29/573683929.db2.gz NYUFCIPCUNLPKC-SECBINFHSA-N 1 3 195.310 1.876 10 0 ADAEHO CC[C@H]([NH3+])[C@@H]1CN2CCC1CC2 107977807 573683947 /nfs/dbraw/zinc/68/39/47/573683947.db2.gz OLAMKAPBHFDOLN-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)C[N@H+]1CCC(C)(C)[C@H](CN)C1 259157406 573685308 /nfs/dbraw/zinc/68/53/08/573685308.db2.gz FVQOJPHXOGQISA-LLVKDONJSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[N@@H+]1CCCC[C@H](CN)C1 107981752 573683122 /nfs/dbraw/zinc/68/31/22/573683122.db2.gz WOHOVSVBKDQUSA-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[N@H+]1CCCC[C@H](CN)C1 107981752 573683127 /nfs/dbraw/zinc/68/31/27/573683127.db2.gz WOHOVSVBKDQUSA-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO C[C@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C[C@@H]1C 130843579 573683232 /nfs/dbraw/zinc/68/32/32/573683232.db2.gz OTSJBYNORMRUEK-YFKTTZPYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C[NH3+])CCNCc1ccoc1 130816954 573683527 /nfs/dbraw/zinc/68/35/27/573683527.db2.gz RRHGWZPJCKMVLE-SECBINFHSA-N 1 3 182.267 1.354 10 0 ADAEHO C[C@@H]1CC[NH2+]CCN1CC1CCC1 83842260 573684252 /nfs/dbraw/zinc/68/42/52/573684252.db2.gz FIULHRLGGAGHCO-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H](C[NH3+])CCNCc1ccoc1 130816767 573684406 /nfs/dbraw/zinc/68/44/06/573684406.db2.gz RRHGWZPJCKMVLE-VIFPVBQESA-N 1 3 182.267 1.354 10 0 ADAEHO COCCCC[N@H+](C)[C@@H](C)CCN 130816825 573684626 /nfs/dbraw/zinc/68/46/26/573684626.db2.gz IECRZLNFAXPGMN-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO COCCCC[N@@H+](C)[C@@H](C)CCN 130816825 573684634 /nfs/dbraw/zinc/68/46/34/573684634.db2.gz IECRZLNFAXPGMN-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO COCCCCN(C)[C@@H](C)CC[NH3+] 130816825 573684642 /nfs/dbraw/zinc/68/46/42/573684642.db2.gz IECRZLNFAXPGMN-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO COCCCC[N@H+](C)[C@H](C)CCN 130817018 573684695 /nfs/dbraw/zinc/68/46/95/573684695.db2.gz IECRZLNFAXPGMN-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO COCCCC[N@@H+](C)[C@H](C)CCN 130817018 573684700 /nfs/dbraw/zinc/68/47/00/573684700.db2.gz IECRZLNFAXPGMN-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO COCCCCN(C)[C@H](C)CC[NH3+] 130817018 573684707 /nfs/dbraw/zinc/68/47/07/573684707.db2.gz IECRZLNFAXPGMN-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO C[N@H+](CCC1CC1)[C@@H]1CCC[C@H](N)C1 308669767 573685035 /nfs/dbraw/zinc/68/50/35/573685035.db2.gz UUDYOANHLHNSSA-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@@H]1CCC[C@H](N)C1 308669767 573685039 /nfs/dbraw/zinc/68/50/39/573685039.db2.gz UUDYOANHLHNSSA-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)C[N@@H+]1CCC(C)(C)[C@H](CN)C1 259157406 573685304 /nfs/dbraw/zinc/68/53/04/573685304.db2.gz FVQOJPHXOGQISA-LLVKDONJSA-N 1 3 198.354 1.949 10 0 ADAEHO CN[C@@H](CC(C)C)C[C@@H]1CCC[NH2+]1 259159229 573689372 /nfs/dbraw/zinc/68/93/72/573689372.db2.gz CUSQMHDCVNDCKL-QWRGUYRKSA-N 1 3 184.327 1.763 10 0 ADAEHO CN(C)[C@@H]([C@H]1CC[NH2+]C1)C(C)(C)C 259618105 573688113 /nfs/dbraw/zinc/68/81/13/573688113.db2.gz RDWQHMXXFVILBW-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@@H](N)c1coc(C2CC[NH2+]CC2)n1 258085284 573688329 /nfs/dbraw/zinc/68/83/29/573688329.db2.gz MRTWFSAVWGTLEQ-SSDOTTSWSA-N 1 3 195.266 1.161 10 0 ADAEHO CC[C@H](CC(C)(C)N)[NH2+]C 259159255 573688481 /nfs/dbraw/zinc/68/84/81/573688481.db2.gz CVEZLUYRYBKTKP-SSDOTTSWSA-N 1 3 144.262 1.112 10 0 ADAEHO CC[C@H](CC(C)(C)[NH3+])NC 259159255 573688488 /nfs/dbraw/zinc/68/84/88/573688488.db2.gz CVEZLUYRYBKTKP-SSDOTTSWSA-N 1 3 144.262 1.112 10 0 ADAEHO N[C@@H](C[C@@H]1CC[NH2+]C1)c1ccccn1 259157370 573688869 /nfs/dbraw/zinc/68/88/69/573688869.db2.gz DKDMUYPOVHUADF-UWVGGRQHSA-N 1 3 191.278 1.081 10 0 ADAEHO CN(C)CC[C@H]([NH3+])Cc1ccccc1 126803814 573689090 /nfs/dbraw/zinc/68/90/90/573689090.db2.gz SGALSWOIOCLUFW-LBPRGKRZSA-N 1 3 192.306 1.508 10 0 ADAEHO C[NH2+]CC1([C@H](N)C2CCCCC2)CC1 259159845 573689289 /nfs/dbraw/zinc/68/92/89/573689289.db2.gz BWXVTJAXOSHTRM-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO CNCC1([C@H]([NH3+])C2CCCCC2)CC1 259159845 573689293 /nfs/dbraw/zinc/68/92/93/573689293.db2.gz BWXVTJAXOSHTRM-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@H]1CN[C@H](C)CC(C)(C)[NH2+]1 238479235 573689415 /nfs/dbraw/zinc/68/94/15/573689415.db2.gz ZEPZVKXVHQECDM-SFYZADRCSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1C[NH2+][C@H](C)CC(C)(C)N1 238479235 573689419 /nfs/dbraw/zinc/68/94/19/573689419.db2.gz ZEPZVKXVHQECDM-SFYZADRCSA-N 1 3 156.273 1.125 10 0 ADAEHO Cc1ccccc1[C@@]1(CC[NH3+])CCN1 258414619 573689689 /nfs/dbraw/zinc/68/96/89/573689689.db2.gz ZVLCGLGRZORKPO-GFCCVEGCSA-N 1 3 190.290 1.532 10 0 ADAEHO Cc1ccccc1[C@@]1(CCN)CC[NH2+]1 258414619 573689697 /nfs/dbraw/zinc/68/96/97/573689697.db2.gz ZVLCGLGRZORKPO-GFCCVEGCSA-N 1 3 190.290 1.532 10 0 ADAEHO CN[C@H](CC(C)C)C[C@H]1CCC[NH2+]1 259159226 573689780 /nfs/dbraw/zinc/68/97/80/573689780.db2.gz CUSQMHDCVNDCKL-GHMZBOCLSA-N 1 3 184.327 1.763 10 0 ADAEHO CN(C)[C@H]([C@@H]1CC[NH2+]C1)C(C)(C)C 259618103 573690032 /nfs/dbraw/zinc/69/00/32/573690032.db2.gz RDWQHMXXFVILBW-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CN(C)[C@@H]([C@@H]1CC[NH2+]C1)C(C)(C)C 259618109 573690090 /nfs/dbraw/zinc/69/00/90/573690090.db2.gz RDWQHMXXFVILBW-ZJUUUORDSA-N 1 3 184.327 1.572 10 0 ADAEHO c1csc(CCNCC2C[NH2+]C2)c1 258883388 573690214 /nfs/dbraw/zinc/69/02/14/573690214.db2.gz KRHDQIWZCCJUCE-UHFFFAOYSA-N 1 3 196.319 1.100 10 0 ADAEHO c1csc(CC[NH2+]CC2CNC2)c1 258883388 573690219 /nfs/dbraw/zinc/69/02/19/573690219.db2.gz KRHDQIWZCCJUCE-UHFFFAOYSA-N 1 3 196.319 1.100 10 0 ADAEHO C[C@H](N)CC[NH2+]CCC1CC1 83895402 573700093 /nfs/dbraw/zinc/70/00/93/573700093.db2.gz VMEQCHFIWKGWHD-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CN[C@H](C[C@H](C)[NH3+])c1cccc(C)c1 259164451 573691480 /nfs/dbraw/zinc/69/14/80/573691480.db2.gz BZVWOZFFSFFMQO-CMPLNLGQSA-N 1 3 192.306 1.993 10 0 ADAEHO Cc1ccccc1[C@]1(CC[NH3+])CCN1 258414620 573692511 /nfs/dbraw/zinc/69/25/11/573692511.db2.gz ZVLCGLGRZORKPO-LBPRGKRZSA-N 1 3 190.290 1.532 10 0 ADAEHO Cc1ccccc1[C@]1(CCN)CC[NH2+]1 258414620 573692515 /nfs/dbraw/zinc/69/25/15/573692515.db2.gz ZVLCGLGRZORKPO-LBPRGKRZSA-N 1 3 190.290 1.532 10 0 ADAEHO N[C@H](C[C@H]1CCCC[NH2+]1)C1CCC1 259162823 573692617 /nfs/dbraw/zinc/69/26/17/573692617.db2.gz DOLXLNOZXNZMOI-GHMZBOCLSA-N 1 3 182.311 1.646 10 0 ADAEHO [NH3+][C@H](C[C@H]1CCCCN1)C1CCC1 259162823 573692622 /nfs/dbraw/zinc/69/26/22/573692622.db2.gz DOLXLNOZXNZMOI-GHMZBOCLSA-N 1 3 182.311 1.646 10 0 ADAEHO CN[C@H](C[C@@H](C)[NH3+])c1cccc(C)c1 259164454 573692848 /nfs/dbraw/zinc/69/28/48/573692848.db2.gz BZVWOZFFSFFMQO-ZYHUDNBSSA-N 1 3 192.306 1.993 10 0 ADAEHO CC(C)[C@@H]([NH3+])[C@H]1CCCCN1 259165635 573692888 /nfs/dbraw/zinc/69/28/88/573692888.db2.gz DRNBPHYNKLLAJI-RKDXNWHRSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@@H](C[C@@H]1CCCC[NH2+]1)C1CCC1 259162830 573693793 /nfs/dbraw/zinc/69/37/93/573693793.db2.gz DOLXLNOZXNZMOI-QWRGUYRKSA-N 1 3 182.311 1.646 10 0 ADAEHO [NH3+][C@@H](C[C@@H]1CCCCN1)C1CCC1 259162830 573693795 /nfs/dbraw/zinc/69/37/95/573693795.db2.gz DOLXLNOZXNZMOI-QWRGUYRKSA-N 1 3 182.311 1.646 10 0 ADAEHO CCCC(C)(C)C[NH2+]CC1CNC1 258883401 573693893 /nfs/dbraw/zinc/69/38/93/573693893.db2.gz KRNFTALNBSIMJC-UHFFFAOYSA-N 1 3 184.327 1.622 10 0 ADAEHO CC(C)[C@H]([NH3+])[C@@H]1CCCCN1 259165632 573694063 /nfs/dbraw/zinc/69/40/63/573694063.db2.gz DRNBPHYNKLLAJI-IUCAKERBSA-N 1 3 156.273 1.112 10 0 ADAEHO CC1(C)C[C@@H](CN)C[N@@H+]1C1CCCC1 259556771 573694208 /nfs/dbraw/zinc/69/42/08/573694208.db2.gz XOOQCXNNHJYOSC-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)C[C@@H](CN)C[N@H+]1C1CCCC1 259556771 573694211 /nfs/dbraw/zinc/69/42/11/573694211.db2.gz XOOQCXNNHJYOSC-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)C[C@H](CN)C[N@@H+]1C1CCCC1 259556775 573695459 /nfs/dbraw/zinc/69/54/59/573695459.db2.gz XOOQCXNNHJYOSC-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)C[C@H](CN)C[N@H+]1C1CCCC1 259556775 573695467 /nfs/dbraw/zinc/69/54/67/573695467.db2.gz XOOQCXNNHJYOSC-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCC1CC1 83895162 573695968 /nfs/dbraw/zinc/69/59/68/573695968.db2.gz UANVJTAMOBNVNN-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1CCC1CC1 83895162 573695974 /nfs/dbraw/zinc/69/59/74/573695974.db2.gz UANVJTAMOBNVNN-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1CCC1CC1 83895162 573695981 /nfs/dbraw/zinc/69/59/81/573695981.db2.gz UANVJTAMOBNVNN-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C1CNCCC[NH+](CCC2CC2)C1 83912309 573699627 /nfs/dbraw/zinc/69/96/27/573699627.db2.gz VTCBANYFAXAMES-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H](N)CC(C)C 259167201 573701428 /nfs/dbraw/zinc/70/14/28/573701428.db2.gz CFINQWQYYUIMQV-MNOVXSKESA-N 1 3 186.343 1.851 10 0 ADAEHO C[NH2+]CC1(CNc2ccncc2)CC1 258886818 573700853 /nfs/dbraw/zinc/70/08/53/573700853.db2.gz JPXWYZAJGRYFAV-UHFFFAOYSA-N 1 3 191.278 1.493 10 0 ADAEHO C[NH2+][C@@H]([C@H](CN)C(C)C)C(C)(C)C 259167480 573699264 /nfs/dbraw/zinc/69/92/64/573699264.db2.gz JBRBYBSBPBAJKR-ZJUUUORDSA-N 1 3 186.343 1.851 10 0 ADAEHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1N 83895129 573699599 /nfs/dbraw/zinc/69/95/99/573699599.db2.gz JOAJJDUNHBLQCF-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1N 83895129 573699605 /nfs/dbraw/zinc/69/96/05/573699605.db2.gz JOAJJDUNHBLQCF-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CN(CCC2CC2)CC[C@@H]1[NH3+] 83895129 573699607 /nfs/dbraw/zinc/69/96/07/573699607.db2.gz JOAJJDUNHBLQCF-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C1C[NH2+]CCCN(CCC2CC2)C1 83912309 573699638 /nfs/dbraw/zinc/69/96/38/573699638.db2.gz VTCBANYFAXAMES-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CC[C@H](CN)C[NH2+][C@@H]1C[C@@H]1CC(C)C 385168986 573699830 /nfs/dbraw/zinc/69/98/30/573699830.db2.gz FXVPEKWYKKLMAI-GRYCIOLGSA-N 1 3 198.354 1.996 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCC1CC1 83912471 573699949 /nfs/dbraw/zinc/69/99/49/573699949.db2.gz OVIOTORDIULLCD-YOGCLGLASA-N 1 3 194.322 1.741 10 0 ADAEHO C[NH2+]C[C@@H]1CN(C(C)C)CCC1(C)C 259166049 573699952 /nfs/dbraw/zinc/69/99/52/573699952.db2.gz GIQBZLUSDIZYNG-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2CCC1CC1 83912471 573699953 /nfs/dbraw/zinc/69/99/53/573699953.db2.gz OVIOTORDIULLCD-YOGCLGLASA-N 1 3 194.322 1.741 10 0 ADAEHO CNC[C@@H]1C[N@@H+](C(C)C)CCC1(C)C 259166049 573699956 /nfs/dbraw/zinc/69/99/56/573699956.db2.gz GIQBZLUSDIZYNG-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1C[N@H+](C(C)C)CCC1(C)C 259166049 573699961 /nfs/dbraw/zinc/69/99/61/573699961.db2.gz GIQBZLUSDIZYNG-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CC[N@H+](CCC2CC2)CCCN1 83912285 573700028 /nfs/dbraw/zinc/70/00/28/573700028.db2.gz ULBQJSDUQPWHFH-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@@H+](CCC2CC2)CCCN1 83912285 573700035 /nfs/dbraw/zinc/70/00/35/573700035.db2.gz ULBQJSDUQPWHFH-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@H]([C@@H](CN)C(C)C)C(C)(C)C 259167476 573700067 /nfs/dbraw/zinc/70/00/67/573700067.db2.gz JBRBYBSBPBAJKR-VHSXEESVSA-N 1 3 186.343 1.851 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H](N)CC(C)C 259168968 573700378 /nfs/dbraw/zinc/70/03/78/573700378.db2.gz CFINQWQYYUIMQV-WDEREUQCSA-N 1 3 186.343 1.851 10 0 ADAEHO C[NH2+]CC(C)(C)NC1CCCC1 258886361 573700481 /nfs/dbraw/zinc/70/04/81/573700481.db2.gz FFCHBAUGTRVCPV-UHFFFAOYSA-N 1 3 170.300 1.517 10 0 ADAEHO C1C[C@@H]2C[N@H+](CCNC3CC3)C[C@@H]2C1 126852679 573700671 /nfs/dbraw/zinc/70/06/71/573700671.db2.gz ZUAXULCKGUHGGB-PHIMTYICSA-N 1 3 194.322 1.470 10 0 ADAEHO C1C[C@@H]2C[N@@H+](CCNC3CC3)C[C@@H]2C1 126852679 573700677 /nfs/dbraw/zinc/70/06/77/573700677.db2.gz ZUAXULCKGUHGGB-PHIMTYICSA-N 1 3 194.322 1.470 10 0 ADAEHO CC(C)(CN)[C@@H]([NH3+])C1CCCC1 259168642 573700969 /nfs/dbraw/zinc/70/09/69/573700969.db2.gz DVTVSDMIOFFWIK-VIFPVBQESA-N 1 3 170.300 1.489 10 0 ADAEHO C[NH2+]C[C@H]1CN(C(C)C)CCC1(C)C 259166052 573701142 /nfs/dbraw/zinc/70/11/42/573701142.db2.gz GIQBZLUSDIZYNG-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1C[N@@H+](C(C)C)CCC1(C)C 259166052 573701150 /nfs/dbraw/zinc/70/11/50/573701150.db2.gz GIQBZLUSDIZYNG-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1C[N@H+](C(C)C)CCC1(C)C 259166052 573701155 /nfs/dbraw/zinc/70/11/55/573701155.db2.gz GIQBZLUSDIZYNG-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@@H]([C@@H](CN)C(C)C)C(C)(C)C 259167473 573701223 /nfs/dbraw/zinc/70/12/23/573701223.db2.gz JBRBYBSBPBAJKR-UWVGGRQHSA-N 1 3 186.343 1.851 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@H](N)CC(C)C 259167198 573701393 /nfs/dbraw/zinc/70/13/93/573701393.db2.gz CFINQWQYYUIMQV-GHMZBOCLSA-N 1 3 186.343 1.851 10 0 ADAEHO C[NH2+]C1(CN[C@H]2CC[C@H]2C)CCC1 393552782 573701466 /nfs/dbraw/zinc/70/14/66/573701466.db2.gz FESNCZFSWUFWGO-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO Cc1ccc([C@H]([NH3+])C2(CN)CC2)cc1 259558116 573701540 /nfs/dbraw/zinc/70/15/40/573701540.db2.gz UXZRYPGNVFSXDH-NSHDSACASA-N 1 3 190.290 1.734 10 0 ADAEHO CC(C)(CN)[C@H]([NH3+])C1CCCC1 259168637 573701773 /nfs/dbraw/zinc/70/17/73/573701773.db2.gz DVTVSDMIOFFWIK-SECBINFHSA-N 1 3 170.300 1.489 10 0 ADAEHO C[NH+](C)C[C@@H]1CCN(C2CCC2)C1 306440011 573702009 /nfs/dbraw/zinc/70/20/09/573702009.db2.gz KBLLWBPWHGHNEA-JTQLQIEISA-N 1 3 182.311 1.422 10 0 ADAEHO C[NH2+]C1(CN[C@H]2CC[C@@H]2C)CCC1 393552777 573702172 /nfs/dbraw/zinc/70/21/72/573702172.db2.gz FESNCZFSWUFWGO-UWVGGRQHSA-N 1 3 182.311 1.517 10 0 ADAEHO Cc1ccc([C@@H]([NH3+])C2(CN)CC2)cc1 259558115 573702267 /nfs/dbraw/zinc/70/22/67/573702267.db2.gz UXZRYPGNVFSXDH-LLVKDONJSA-N 1 3 190.290 1.734 10 0 ADAEHO C[NH2+]C1(CN[C@@H]2CC[C@@H]2C)CCC1 393552780 573703266 /nfs/dbraw/zinc/70/32/66/573703266.db2.gz FESNCZFSWUFWGO-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([C@@H]2CCCCN2)C[NH2+]1 238483997 573703309 /nfs/dbraw/zinc/70/33/09/573703309.db2.gz KZYKOPDCDGWUOL-UTLUCORTSA-N 1 3 168.284 1.127 10 0 ADAEHO C[NH2+]CC(C)(C)N(C)c1ccncc1 258886603 573703537 /nfs/dbraw/zinc/70/35/37/573703537.db2.gz QSCCDKQMNCQDIX-UHFFFAOYSA-N 1 3 193.294 1.516 10 0 ADAEHO C1CC[C@@H]2CNCCC[C@@H]2[NH2+]C1 238017483 573703458 /nfs/dbraw/zinc/70/34/58/573703458.db2.gz WSZAUOXXSNMUCK-ZJUUUORDSA-N 1 3 168.284 1.128 10 0 ADAEHO CC(C)N[C@@]1(C[NH3+])CS[C@@H](C)C1 86936787 573704498 /nfs/dbraw/zinc/70/44/98/573704498.db2.gz FRRPZQOZTWOTFM-IUCAKERBSA-N 1 3 188.340 1.207 10 0 ADAEHO C1CC[C@@H]2CCNCC[C@@H]2[NH2+]C1 238017426 573704729 /nfs/dbraw/zinc/70/47/29/573704729.db2.gz FFQFXKLKCRXJHQ-ZJUUUORDSA-N 1 3 168.284 1.128 10 0 ADAEHO Cc1cc(CN)c(F)cc1C[NH3+] 238483370 573704784 /nfs/dbraw/zinc/70/47/84/573704784.db2.gz UBTKBRAMQDBQSC-UHFFFAOYSA-N 1 3 168.215 1.052 10 0 ADAEHO COc1ccc([C@H](N)[C@H](C)C[NH3+])cc1 259171200 573704860 /nfs/dbraw/zinc/70/48/60/573704860.db2.gz DWDFSEVCOFTLOQ-LDYMZIIASA-N 1 3 194.278 1.290 10 0 ADAEHO CCN1CCC[C@@H]1[C@@H]1C[NH2+][C@@H](C)C1 258100399 573705152 /nfs/dbraw/zinc/70/51/52/573705152.db2.gz HCNRFHJJJYKCSV-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C 393553103 573705270 /nfs/dbraw/zinc/70/52/70/573705270.db2.gz WEWGIOLAJFQBGM-HBNTYKKESA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1CC[C@H]1C 393553104 573705278 /nfs/dbraw/zinc/70/52/78/573705278.db2.gz WEWGIOLAJFQBGM-MXWKQRLJSA-N 1 3 184.327 1.605 10 0 ADAEHO CN(c1ccncc1)C(C)(C)CC[NH3+] 258889226 573707521 /nfs/dbraw/zinc/70/75/21/573707521.db2.gz QZFKCGCNFZPPPZ-UHFFFAOYSA-N 1 3 193.294 1.645 10 0 ADAEHO CC(C)N[C@]1(C[NH3+])CS[C@H](C)C1 86936788 573707531 /nfs/dbraw/zinc/70/75/31/573707531.db2.gz FRRPZQOZTWOTFM-RKDXNWHRSA-N 1 3 188.340 1.207 10 0 ADAEHO CN(CC1(C[NH3+])CC1)c1ccncc1 258890134 573707701 /nfs/dbraw/zinc/70/77/01/573707701.db2.gz JXCKUHXUPRFANL-UHFFFAOYSA-N 1 3 191.278 1.257 10 0 ADAEHO CNC[C@H](C[NH3+])c1cccs1 258100669 573707916 /nfs/dbraw/zinc/70/79/16/573707916.db2.gz KHSKVMYNBOHMJZ-ZETCQYMHSA-N 1 3 170.281 1.010 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H](N)C(C)(C)C 259561366 573708247 /nfs/dbraw/zinc/70/82/47/573708247.db2.gz VAPUTFVFTJAPDZ-VHSXEESVSA-N 1 3 186.343 1.851 10 0 ADAEHO C1CC[C@@H](CC[NH2+]C2CCC2)NC1 258888703 573708413 /nfs/dbraw/zinc/70/84/13/573708413.db2.gz CKKLRLCAXNDPKH-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO C1CC[C@@H](CCNC2CCC2)[NH2+]C1 258888703 573708418 /nfs/dbraw/zinc/70/84/18/573708418.db2.gz CKKLRLCAXNDPKH-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1[C@H]1CC[C@@H](C)C1 122199391 573708746 /nfs/dbraw/zinc/70/87/46/573708746.db2.gz XRSFBUAVWMQRKO-RHYQMDGZSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1[C@H]1CC[C@@H](C)C1 122199391 573708750 /nfs/dbraw/zinc/70/87/50/573708750.db2.gz XRSFBUAVWMQRKO-RHYQMDGZSA-N 1 3 196.338 1.987 10 0 ADAEHO C1CC[C@H](CC[NH2+]C2CCC2)NC1 258888701 573709122 /nfs/dbraw/zinc/70/91/22/573709122.db2.gz CKKLRLCAXNDPKH-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C1CC[C@H](CCNC2CCC2)[NH2+]C1 258888701 573709128 /nfs/dbraw/zinc/70/91/28/573709128.db2.gz CKKLRLCAXNDPKH-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO CN[C@H](C1CCC1)[C@@H]1CCCC[NH2+]1 259561152 573709242 /nfs/dbraw/zinc/70/92/42/573709242.db2.gz WESAGGZKESXFKA-WDEREUQCSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CCC2(CC[C@H](C)[NH2+]C2)CN1 238490741 573709290 /nfs/dbraw/zinc/70/92/90/573709290.db2.gz TWAQYCNGJIRYLK-QRHSGQBVSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](C[NH3+])CCCNCc1ccoc1 130775520 573709338 /nfs/dbraw/zinc/70/93/38/573709338.db2.gz OZWXGADDTMITNH-JTQLQIEISA-N 1 3 196.294 1.744 10 0 ADAEHO CN(CCCC[NH3+])c1ccncc1 258887944 573709604 /nfs/dbraw/zinc/70/96/04/573709604.db2.gz LCDAACIOEXAZHC-UHFFFAOYSA-N 1 3 179.267 1.257 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H](N)C(C)(C)C 259561361 573709734 /nfs/dbraw/zinc/70/97/34/573709734.db2.gz VAPUTFVFTJAPDZ-NXEZZACHSA-N 1 3 186.343 1.851 10 0 ADAEHO [NH3+]CCCCCNCc1ccoc1 130777580 573710100 /nfs/dbraw/zinc/71/01/00/573710100.db2.gz LRFMTXJTSVYIND-UHFFFAOYSA-N 1 3 182.267 1.498 10 0 ADAEHO Cc1ccccc1[C@@H]1CNC[C@@H]([NH3+])C1 238491144 573710269 /nfs/dbraw/zinc/71/02/69/573710269.db2.gz FTSAUDUBVKXSSX-QWRGUYRKSA-N 1 3 190.290 1.399 10 0 ADAEHO CCC[C@H]([NH3+])CCN1CCCC1 83963412 573712541 /nfs/dbraw/zinc/71/25/41/573712541.db2.gz YJZUYJHLOPHCHZ-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC(C)(C)[C@H](C[NH3+])CNC1CC1 258096371 573712942 /nfs/dbraw/zinc/71/29/42/573712942.db2.gz KACNIHFLLQUTLQ-MRVPVSSYSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@H](CN)C[NH2+]C1CC1 258096371 573712937 /nfs/dbraw/zinc/71/29/37/573712937.db2.gz KACNIHFLLQUTLQ-MRVPVSSYSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@@]1([C@@H]2CCCNC2)CCCC[NH2+]1 258097655 573717422 /nfs/dbraw/zinc/71/74/22/573717422.db2.gz GWQLUCFESJOPGA-MNOVXSKESA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)[C@@]1([C@H]2CCCN2)CCC[NH2+]1 258097461 573716454 /nfs/dbraw/zinc/71/64/54/573716454.db2.gz GUYQBEXFMKISGV-GHMZBOCLSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[C@]1([C@@H]2CCCN2)CCC[NH2+]1 258097470 573716475 /nfs/dbraw/zinc/71/64/75/573716475.db2.gz GUYQBEXFMKISGV-QWRGUYRKSA-N 1 3 182.311 1.517 10 0 ADAEHO CC/C=C\CN[C@H](CC)C1C[NH2+]C1 716118432 573716617 /nfs/dbraw/zinc/71/66/17/573716617.db2.gz FLBRFTSWVYQEMZ-ISALQUGTSA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C\C[NH2+][C@H](CC)C1CNC1 716118432 573716620 /nfs/dbraw/zinc/71/66/20/573716620.db2.gz FLBRFTSWVYQEMZ-ISALQUGTSA-N 1 3 182.311 1.540 10 0 ADAEHO CN(C)Cc1ccccc1/C=C/C[NH3+] 258098514 573717317 /nfs/dbraw/zinc/71/73/17/573717317.db2.gz OPJGMSXUNLAYSS-VMPITWQZSA-N 1 3 190.290 1.720 10 0 ADAEHO C1CCC(CC[NH2+]CC2CNC2)C1 258891746 573717493 /nfs/dbraw/zinc/71/74/93/573717493.db2.gz LHNBMFITJQTTJX-UHFFFAOYSA-N 1 3 182.311 1.376 10 0 ADAEHO C[C@]1([C@@H]2CCCNC2)CCCC[NH2+]1 258097651 573717894 /nfs/dbraw/zinc/71/78/94/573717894.db2.gz GWQLUCFESJOPGA-GHMZBOCLSA-N 1 3 182.311 1.518 10 0 ADAEHO CC/C=C\CN[C@@H](CC)C1C[NH2+]C1 716118430 573717921 /nfs/dbraw/zinc/71/79/21/573717921.db2.gz FLBRFTSWVYQEMZ-GZTOBOFZSA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C\C[NH2+][C@@H](CC)C1CNC1 716118430 573717925 /nfs/dbraw/zinc/71/79/25/573717925.db2.gz FLBRFTSWVYQEMZ-GZTOBOFZSA-N 1 3 182.311 1.540 10 0 ADAEHO C[C@@]1([C@H]2CCCNC2)CCCC[NH2+]1 258097660 573718288 /nfs/dbraw/zinc/71/82/88/573718288.db2.gz GWQLUCFESJOPGA-QWRGUYRKSA-N 1 3 182.311 1.518 10 0 ADAEHO CCC(CC)[NH2+][C@@H](CC)C1CNC1 716117393 573718306 /nfs/dbraw/zinc/71/83/06/573718306.db2.gz BWNKAUBSIAQRMF-NSHDSACASA-N 1 3 184.327 1.763 10 0 ADAEHO CC/C=C/CN[C@H](CC)C1C[NH2+]C1 716118434 573719644 /nfs/dbraw/zinc/71/96/44/573719644.db2.gz FLBRFTSWVYQEMZ-MVIFTORASA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C/C[NH2+][C@H](CC)C1CNC1 716118434 573719647 /nfs/dbraw/zinc/71/96/47/573719647.db2.gz FLBRFTSWVYQEMZ-MVIFTORASA-N 1 3 182.311 1.540 10 0 ADAEHO CC1(C)CCSC[C@@H]1NCC[NH3+] 86970630 573719889 /nfs/dbraw/zinc/71/98/89/573719889.db2.gz QEIQHHDARVDJIQ-QMMMGPOBSA-N 1 3 188.340 1.066 10 0 ADAEHO CCN1CC=C(C[C@@H](C)[NH2+]C)CC1 258104679 573720247 /nfs/dbraw/zinc/72/02/47/573720247.db2.gz OFKMPEUJKCOBOA-SNVBAGLBSA-N 1 3 182.311 1.636 10 0 ADAEHO Cc1ccccc1[C@H]1CNC[C@H]([NH3+])C1 238496358 573722560 /nfs/dbraw/zinc/72/25/60/573722560.db2.gz FTSAUDUBVKXSSX-GHMZBOCLSA-N 1 3 190.290 1.399 10 0 ADAEHO CN[C@]1(C[NH3+])CSCCC1(C)C 86971966 573721764 /nfs/dbraw/zinc/72/17/64/573721764.db2.gz RYLCMSLEUJTGKC-SECBINFHSA-N 1 3 188.340 1.066 10 0 ADAEHO CC1(C)CCSC[C@H]1NCC[NH3+] 86970633 573721786 /nfs/dbraw/zinc/72/17/86/573721786.db2.gz QEIQHHDARVDJIQ-MRVPVSSYSA-N 1 3 188.340 1.066 10 0 ADAEHO CN[C@]1(C[NH3+])CSCC(C)(C)C1 86976759 573723216 /nfs/dbraw/zinc/72/32/16/573723216.db2.gz GMBKURZPOYYLBV-SECBINFHSA-N 1 3 188.340 1.066 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@H]([NH3+])CC(F)F 393555305 573722741 /nfs/dbraw/zinc/72/27/41/573722741.db2.gz LSVLHTWXVCOKBA-RQJHMYQMSA-N 1 3 192.253 1.357 10 0 ADAEHO Cc1ccccc1[C@H]1CNC[C@@H]([NH3+])C1 238496315 573723284 /nfs/dbraw/zinc/72/32/84/573723284.db2.gz FTSAUDUBVKXSSX-MNOVXSKESA-N 1 3 190.290 1.399 10 0 ADAEHO CN[C@@]1(C[NH3+])CSCCC1(C)C 86971971 573724284 /nfs/dbraw/zinc/72/42/84/573724284.db2.gz RYLCMSLEUJTGKC-VIFPVBQESA-N 1 3 188.340 1.066 10 0 ADAEHO CCN1CC=C(C[C@H](C)[NH2+]C)CC1 258104676 573724472 /nfs/dbraw/zinc/72/44/72/573724472.db2.gz OFKMPEUJKCOBOA-JTQLQIEISA-N 1 3 182.311 1.636 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@H]([NH3+])CC(F)F 393555302 573724484 /nfs/dbraw/zinc/72/44/84/573724484.db2.gz LSVLHTWXVCOKBA-NKWVEPMBSA-N 1 3 192.253 1.357 10 0 ADAEHO CC1(C)C[C@H]1NC[C@H]([NH3+])CC(F)F 393555303 573725781 /nfs/dbraw/zinc/72/57/81/573725781.db2.gz LSVLHTWXVCOKBA-RNFRBKRXSA-N 1 3 192.253 1.357 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1CC1(N)CC1 258108152 573726538 /nfs/dbraw/zinc/72/65/38/573726538.db2.gz SLKJUHBQMSSWRY-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1CC1(N)CC1 258108152 573726544 /nfs/dbraw/zinc/72/65/44/573726544.db2.gz SLKJUHBQMSSWRY-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@H](C[NH3+])c1cccc(CN(C)C)c1 258108506 573726823 /nfs/dbraw/zinc/72/68/23/573726823.db2.gz PICKUJAVOOVXMG-SNVBAGLBSA-N 1 3 192.306 1.810 10 0 ADAEHO CN1CC[C@H]([C@]2(C)CCCC[NH2+]2)C1 258109174 573726897 /nfs/dbraw/zinc/72/68/97/573726897.db2.gz HPFULRNUYOGFHZ-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1CC1(N)CC1 258108154 573726966 /nfs/dbraw/zinc/72/69/66/573726966.db2.gz SLKJUHBQMSSWRY-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC[N@H+]1CCC[C@H]1CC1(N)CC1 258108154 573726970 /nfs/dbraw/zinc/72/69/70/573726970.db2.gz SLKJUHBQMSSWRY-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC1CN([C@H]2CCC[C@H]([NH3+])C2)C1 108287367 573733695 /nfs/dbraw/zinc/73/36/95/573733695.db2.gz ZVKOUBSTLJJWRH-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H](C1C[NH2+]C1)N(C)C1CC1 716125600 573727275 /nfs/dbraw/zinc/72/72/75/573727275.db2.gz RLOOMCQMHDNDHY-JTQLQIEISA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H](C1CNC1)[N@H+](C)C1CC1 716125600 573727281 /nfs/dbraw/zinc/72/72/81/573727281.db2.gz RLOOMCQMHDNDHY-JTQLQIEISA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H](C1CNC1)[N@@H+](C)C1CC1 716125600 573727285 /nfs/dbraw/zinc/72/72/85/573727285.db2.gz RLOOMCQMHDNDHY-JTQLQIEISA-N 1 3 168.284 1.079 10 0 ADAEHO CN(C)C[C@H](C[NH3+])C1CCCCC1 258109010 573728627 /nfs/dbraw/zinc/72/86/27/573728627.db2.gz FHAYSXROPSMGSJ-NSHDSACASA-N 1 3 184.327 1.703 10 0 ADAEHO CN1CC[C@@H]([C@]2(C)CCCC[NH2+]2)C1 258109171 573728749 /nfs/dbraw/zinc/72/87/49/573728749.db2.gz HPFULRNUYOGFHZ-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H](C[NH3+])c1cccc(CN(C)C)c1 258108502 573728765 /nfs/dbraw/zinc/72/87/65/573728765.db2.gz PICKUJAVOOVXMG-JTQLQIEISA-N 1 3 192.306 1.810 10 0 ADAEHO CN1CC[C@H]([C@@]2(C)CCCC[NH2+]2)C1 258109177 573728803 /nfs/dbraw/zinc/72/88/03/573728803.db2.gz HPFULRNUYOGFHZ-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CCN(CC)C[C@]1(F)CC[C@H]([NH3+])C1 257852565 573729039 /nfs/dbraw/zinc/72/90/39/573729039.db2.gz PGHWDYHEEFDIEE-UWVGGRQHSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@@]1([C@H]2CCN(C)C2)CCCC[NH2+]1 258111817 573732648 /nfs/dbraw/zinc/73/26/48/573732648.db2.gz HUSXQKGLLAXNSY-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@]1([C@H]2CCN(C)C2)CCCC[NH2+]1 258111813 573732762 /nfs/dbraw/zinc/73/27/62/573732762.db2.gz HUSXQKGLLAXNSY-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CN([C@@H]2CC[C@@H]([NH3+])C2)C1 108287449 573732990 /nfs/dbraw/zinc/73/29/90/573732990.db2.gz DCESBIGWIWUOGU-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CCN(CC)C[C@]1(F)CC[C@@H]([NH3+])C1 257852567 573733181 /nfs/dbraw/zinc/73/31/81/573733181.db2.gz PGHWDYHEEFDIEE-ZJUUUORDSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@@H]1CC[N@H+](CC[C@@H](C)N)C1 108289054 573733214 /nfs/dbraw/zinc/73/32/14/573733214.db2.gz YIXMEQNALFUKEU-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CC[C@@H](C)N)C1 108289054 573733223 /nfs/dbraw/zinc/73/32/23/573733223.db2.gz YIXMEQNALFUKEU-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC1(C)CN([C@@H]2CC[C@H]([NH3+])C2)C1 108287440 573733235 /nfs/dbraw/zinc/73/32/35/573733235.db2.gz DCESBIGWIWUOGU-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CN1CCC[C@@H](C2([NH3+])CC(C)(C)C2)C1 258109719 573733393 /nfs/dbraw/zinc/73/33/93/573733393.db2.gz OPMNGXJLEYBRRZ-SNVBAGLBSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1C[N@@H+](C2CCC2)CC[C@@H]1N 122395164 573733432 /nfs/dbraw/zinc/73/34/32/573733432.db2.gz VKXMIEZYHHLBMU-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1C[N@H+](C2CCC2)CC[C@@H]1N 122395164 573733436 /nfs/dbraw/zinc/73/34/36/573733436.db2.gz VKXMIEZYHHLBMU-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CN(C2CCC2)CC[C@@H]1[NH3+] 122395164 573733440 /nfs/dbraw/zinc/73/34/40/573733440.db2.gz VKXMIEZYHHLBMU-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CN([C@H]2CC[C@@H]([NH3+])C2)C1 108287452 573733555 /nfs/dbraw/zinc/73/35/55/573733555.db2.gz DCESBIGWIWUOGU-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+]C[C@@H]1CCC[C@@H]1N1CCC1 108287507 573733592 /nfs/dbraw/zinc/73/35/92/573733592.db2.gz GMJOYAIVEGTNKY-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1CN([C@@H]2CCC[C@@H]([NH3+])C2)C1 108287368 573733808 /nfs/dbraw/zinc/73/38/08/573733808.db2.gz ZVKOUBSTLJJWRH-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO NCC1(C[NH2+]CC2CCCCC2)CC1 258896812 573733938 /nfs/dbraw/zinc/73/39/38/573733938.db2.gz KOXBEPZEVVQXOH-UHFFFAOYSA-N 1 3 196.338 1.895 10 0 ADAEHO CC[C@]1([C@@H]2CCN(C)C2)CCCC[NH2+]1 258111822 573734005 /nfs/dbraw/zinc/73/40/05/573734005.db2.gz HUSXQKGLLAXNSY-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C[C@@H]1CCC[C@H]1N1CCC1 108287514 573734013 /nfs/dbraw/zinc/73/40/13/573734013.db2.gz GMJOYAIVEGTNKY-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CN1CCC[C@H](C2([NH3+])CC(C)(C)C2)C1 258109714 573734308 /nfs/dbraw/zinc/73/43/08/573734308.db2.gz OPMNGXJLEYBRRZ-JTQLQIEISA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@]1([C@@H]2CCN(C)C2)CCCC[NH2+]1 258111810 573734418 /nfs/dbraw/zinc/73/44/18/573734418.db2.gz HUSXQKGLLAXNSY-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@](C)(N)C[N@H+](C)CCC1CC1 308430168 573734644 /nfs/dbraw/zinc/73/46/44/573734644.db2.gz ZLFYHFVIUCVCBD-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@](C)(N)C[N@@H+](C)CCC1CC1 308430168 573734648 /nfs/dbraw/zinc/73/46/48/573734648.db2.gz ZLFYHFVIUCVCBD-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC1CN([C@@H]2CCC[C@H]([NH3+])C2)C1 108287363 573734696 /nfs/dbraw/zinc/73/46/96/573734696.db2.gz ZVKOUBSTLJJWRH-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(C)[C@H]1CCN(CC[NH3+])C1 108289067 573734759 /nfs/dbraw/zinc/73/47/59/573734759.db2.gz BWYCGVLJVJNDGY-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC1(C)CN([C@H]2CC[C@H]([NH3+])C2)C1 108287443 573734788 /nfs/dbraw/zinc/73/47/88/573734788.db2.gz DCESBIGWIWUOGU-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO NC[C@@H]1CCCC[C@H]1[NH+]1CCC1 108287474 573734824 /nfs/dbraw/zinc/73/48/24/573734824.db2.gz UHIFGDXUSXZHTN-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CCCC[C@H]1N1CCC1 108287474 573734828 /nfs/dbraw/zinc/73/48/28/573734828.db2.gz UHIFGDXUSXZHTN-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO NCC1(C[NH2+]CC2CCCC2)CCC1 258895004 573734858 /nfs/dbraw/zinc/73/48/58/573734858.db2.gz KLAKPOHRRDXIJA-UHFFFAOYSA-N 1 3 196.338 1.895 10 0 ADAEHO NC[C@@H]1CCCC[C@@H]1[NH+]1CCC1 108287470 573735848 /nfs/dbraw/zinc/73/58/48/573735848.db2.gz UHIFGDXUSXZHTN-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N1CCC1 108287470 573735854 /nfs/dbraw/zinc/73/58/54/573735854.db2.gz UHIFGDXUSXZHTN-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO CN1CCC[NH2+]C[C@@H]1CC1CC1 108287281 573736793 /nfs/dbraw/zinc/73/67/93/573736793.db2.gz XAHKCSYFOUOKSO-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@](C)(N)C[N@H+](C)CCC1CC1 308430167 573736812 /nfs/dbraw/zinc/73/68/12/573736812.db2.gz ZLFYHFVIUCVCBD-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@](C)(N)C[N@@H+](C)CCC1CC1 308430167 573736815 /nfs/dbraw/zinc/73/68/15/573736815.db2.gz ZLFYHFVIUCVCBD-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C1CNC1)[NH+]1CCCCCC1 716143532 573737523 /nfs/dbraw/zinc/73/75/23/573737523.db2.gz LHROBHJRQZSXSM-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CN([C@H]2CCC[C@@H]([NH3+])C2)C1 108295032 573739770 /nfs/dbraw/zinc/73/97/70/573739770.db2.gz YPIISJSGFFHYNS-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC1CC1 126982772 573739876 /nfs/dbraw/zinc/73/98/76/573739876.db2.gz FGOTUGRBCLBGAF-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC1CC1 126982772 573739882 /nfs/dbraw/zinc/73/98/82/573739882.db2.gz FGOTUGRBCLBGAF-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO NC[C@H](C[NH+]1CCCCC1)C1CCC1 258103093 573739923 /nfs/dbraw/zinc/73/99/23/573739923.db2.gz FBAFWWDXUUQGNG-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+]C[C@H](CN1CCCCC1)C1CCC1 258103093 573739927 /nfs/dbraw/zinc/73/99/27/573739927.db2.gz FBAFWWDXUUQGNG-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H]1N[C@@H](C)C1C[NH2+]C1 686250378 573739937 /nfs/dbraw/zinc/73/99/37/573739937.db2.gz WJIYXRMCXZKUNG-UMNHJUIQSA-N 1 3 196.338 1.619 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H]1[NH2+][C@@H](C)C1CNC1 686250378 573739943 /nfs/dbraw/zinc/73/99/43/573739943.db2.gz WJIYXRMCXZKUNG-UMNHJUIQSA-N 1 3 196.338 1.619 10 0 ADAEHO C1CC[C@@H]2CN(CC3C[NH2+]C3)[C@@H]2CC1 687947902 573740273 /nfs/dbraw/zinc/74/02/73/573740273.db2.gz YMNNBWCKRSROKB-VXGBXAGGSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@@H]2C[N@@H+](CC3CNC3)[C@@H]2CC1 687947902 573740279 /nfs/dbraw/zinc/74/02/79/573740279.db2.gz YMNNBWCKRSROKB-VXGBXAGGSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@@H]2C[N@H+](CC3CNC3)[C@@H]2CC1 687947902 573740285 /nfs/dbraw/zinc/74/02/85/573740285.db2.gz YMNNBWCKRSROKB-VXGBXAGGSA-N 1 3 194.322 1.470 10 0 ADAEHO CC[C@@H]1CC[N@H+](C[C@@H](C)CNC)C1 108297561 573740388 /nfs/dbraw/zinc/74/03/88/573740388.db2.gz DGTMJJDJSRHLBO-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C[C@@H](C)CNC)C1 108297561 573740393 /nfs/dbraw/zinc/74/03/93/573740393.db2.gz DGTMJJDJSRHLBO-WDEREUQCSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)[N@@H+]1CC[C@@H](C(C)C)C1 108297486 573740570 /nfs/dbraw/zinc/74/05/70/573740570.db2.gz HKHXKJNNLNJURM-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)[N@H+]1CC[C@@H](C(C)C)C1 108297486 573740576 /nfs/dbraw/zinc/74/05/76/573740576.db2.gz HKHXKJNNLNJURM-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](N)c1ccc(F)cc1 259564289 573740608 /nfs/dbraw/zinc/74/06/08/573740608.db2.gz YETVKJOMSBMFQD-OIBJUYFYSA-N 1 3 182.242 1.563 10 0 ADAEHO C[C@H]([NH3+])C[C@H](N)c1ccc(F)cc1 259564291 573740632 /nfs/dbraw/zinc/74/06/32/573740632.db2.gz YETVKJOMSBMFQD-XVKPBYJWSA-N 1 3 182.242 1.563 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CNCc1cc[nH]c1 258898685 573740723 /nfs/dbraw/zinc/74/07/23/573740723.db2.gz DPQZAMIUIKJDQP-NSHDSACASA-N 1 3 195.310 1.335 10 0 ADAEHO CC(C)C1CN([C@H]2CC[C@H]([NH3+])C2)C1 108295076 573740796 /nfs/dbraw/zinc/74/07/96/573740796.db2.gz WMZJGUSMEOTFHA-QWRGUYRKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](N)c1ccc(F)cc1 259564287 573741100 /nfs/dbraw/zinc/74/11/00/573741100.db2.gz YETVKJOMSBMFQD-GMSGAONNSA-N 1 3 182.242 1.563 10 0 ADAEHO CC(C)C1CN([C@@H]2CC[C@@H]([NH3+])C2)C1 108295079 573741110 /nfs/dbraw/zinc/74/11/10/573741110.db2.gz WMZJGUSMEOTFHA-GHMZBOCLSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([NH3+])CN1CC[C@H](C(C)(C)C)C1 108297364 573741139 /nfs/dbraw/zinc/74/11/39/573741139.db2.gz XMBXZQMMQULFOO-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]([NH3+])CN1CC[C@H](C(C)(C)C)C1 108297361 573741216 /nfs/dbraw/zinc/74/12/16/573741216.db2.gz XMBXZQMMQULFOO-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](C1CNC1)[NH+]1CCCCCC1 716143541 573741436 /nfs/dbraw/zinc/74/14/36/573741436.db2.gz LHROBHJRQZSXSM-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC1CC1 126982337 573741280 /nfs/dbraw/zinc/74/12/80/573741280.db2.gz FGOTUGRBCLBGAF-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC1CC1 126982337 573741285 /nfs/dbraw/zinc/74/12/85/573741285.db2.gz FGOTUGRBCLBGAF-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 108295048 573741517 /nfs/dbraw/zinc/74/15/17/573741517.db2.gz LJFHHPIFFJBOBU-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](N)C2)C1 108295048 573741526 /nfs/dbraw/zinc/74/15/26/573741526.db2.gz LJFHHPIFFJBOBU-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CC(C(C)C)C1 108297568 573741538 /nfs/dbraw/zinc/74/15/38/573741538.db2.gz ZTZPZHKIKWRFGA-JTQLQIEISA-N 1 3 184.327 1.430 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1C1(N)CCCC1 258115237 573741764 /nfs/dbraw/zinc/74/17/64/573741764.db2.gz SYGVRWWEFUDZLI-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CC[N@H+]1CCC[C@H]1C1(N)CCCC1 258115237 573741768 /nfs/dbraw/zinc/74/17/68/573741768.db2.gz SYGVRWWEFUDZLI-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CCN1CCC[C@H]1C1([NH3+])CCCC1 258115237 573741773 /nfs/dbraw/zinc/74/17/73/573741773.db2.gz SYGVRWWEFUDZLI-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CC(C)C1CN([C@H]2CC[C@@H]([NH3+])C2)C1 108295082 573741839 /nfs/dbraw/zinc/74/18/39/573741839.db2.gz WMZJGUSMEOTFHA-MNOVXSKESA-N 1 3 182.311 1.454 10 0 ADAEHO CN1CC[C@@H](C(C)(C)C)[C@@H]1C[NH3+] 258419871 573742404 /nfs/dbraw/zinc/74/24/04/573742404.db2.gz BVAGDTFJQJSHLE-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC1(C)CN([C@H]2CCC[C@H]([NH3+])C2)C1 108295027 573741852 /nfs/dbraw/zinc/74/18/52/573741852.db2.gz YPIISJSGFFHYNS-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1C1(N)CCCC1 258115239 573741860 /nfs/dbraw/zinc/74/18/60/573741860.db2.gz SYGVRWWEFUDZLI-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1C1(N)CCCC1 258115239 573741864 /nfs/dbraw/zinc/74/18/64/573741864.db2.gz SYGVRWWEFUDZLI-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CCN1CCC[C@@H]1C1([NH3+])CCCC1 258115239 573741869 /nfs/dbraw/zinc/74/18/69/573741869.db2.gz SYGVRWWEFUDZLI-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CN1CC[C@@H](C(C)(C)C)[C@H]1C[NH3+] 258419878 573742128 /nfs/dbraw/zinc/74/21/28/573742128.db2.gz BVAGDTFJQJSHLE-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO NC[C@@H](C[NH+]1CCCCC1)C1CCC1 258103096 573742160 /nfs/dbraw/zinc/74/21/60/573742160.db2.gz FBAFWWDXUUQGNG-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+]C[C@@H](CN1CCCCC1)C1CCC1 258103096 573742163 /nfs/dbraw/zinc/74/21/63/573742163.db2.gz FBAFWWDXUUQGNG-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO CN1CC[C@H](C(C)(C)C)[C@@H]1C[NH3+] 258419876 573742166 /nfs/dbraw/zinc/74/21/66/573742166.db2.gz BVAGDTFJQJSHLE-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CCN1CCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258102440 573742261 /nfs/dbraw/zinc/74/22/61/573742261.db2.gz HCNRFHJJJYKCSV-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C1CC[C@H]2CN(CC3C[NH2+]C3)[C@@H]2CC1 687947891 573742358 /nfs/dbraw/zinc/74/23/58/573742358.db2.gz YMNNBWCKRSROKB-NWDGAFQWSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@H]2C[N@@H+](CC3CNC3)[C@@H]2CC1 687947891 573742360 /nfs/dbraw/zinc/74/23/60/573742360.db2.gz YMNNBWCKRSROKB-NWDGAFQWSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@H]2C[N@H+](CC3CNC3)[C@@H]2CC1 687947891 573742364 /nfs/dbraw/zinc/74/23/64/573742364.db2.gz YMNNBWCKRSROKB-NWDGAFQWSA-N 1 3 194.322 1.470 10 0 ADAEHO CCC[C@@H](NC)[C@H]1CCCC[NH2+]1 259175112 573743315 /nfs/dbraw/zinc/74/33/15/573743315.db2.gz DKLRBPMJYAZCFL-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@H]([NH3+])Cc1cccc(CN(C)C)c1 258115941 573745135 /nfs/dbraw/zinc/74/51/35/573745135.db2.gz QARJILBEZBUHMT-JTQLQIEISA-N 1 3 192.306 1.638 10 0 ADAEHO CNC[C@@](C)(F)[C@H]1CCC[N@H+](C)C1 257860953 573744287 /nfs/dbraw/zinc/74/42/87/573744287.db2.gz QZFPOTKKKVKSCR-VHSXEESVSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@@](C)(F)[C@H]1CCC[N@@H+](C)C1 257860953 573744291 /nfs/dbraw/zinc/74/42/91/573744291.db2.gz QZFPOTKKKVKSCR-VHSXEESVSA-N 1 3 188.290 1.276 10 0 ADAEHO CCC[C@@H](NC)[C@@H]1CCCC[NH2+]1 259175119 573743257 /nfs/dbraw/zinc/74/32/57/573743257.db2.gz DKLRBPMJYAZCFL-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CN1CC[C@H](C(C)(C)C)[C@H]1C[NH3+] 258419874 573743322 /nfs/dbraw/zinc/74/33/22/573743322.db2.gz BVAGDTFJQJSHLE-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@H](NC)[C@H]1CCCC[NH2+]1 259175116 573743330 /nfs/dbraw/zinc/74/33/30/573743330.db2.gz DKLRBPMJYAZCFL-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CNC[C@](C)(F)[C@@H]1CCC[N@H+](C)C1 257860954 573743693 /nfs/dbraw/zinc/74/36/93/573743693.db2.gz QZFPOTKKKVKSCR-ZJUUUORDSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@](C)(F)[C@@H]1CCC[N@@H+](C)C1 257860954 573743696 /nfs/dbraw/zinc/74/36/96/573743696.db2.gz QZFPOTKKKVKSCR-ZJUUUORDSA-N 1 3 188.290 1.276 10 0 ADAEHO C1CC[C@H]2[C@H](CC1)CN2CC1C[NH2+]C1 687947888 573743438 /nfs/dbraw/zinc/74/34/38/573743438.db2.gz YMNNBWCKRSROKB-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@H]2[C@H](CC1)C[N@H+]2CC1CNC1 687947888 573743444 /nfs/dbraw/zinc/74/34/44/573743444.db2.gz YMNNBWCKRSROKB-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@H]2[C@H](CC1)C[N@@H+]2CC1CNC1 687947888 573743448 /nfs/dbraw/zinc/74/34/48/573743448.db2.gz YMNNBWCKRSROKB-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H](CC[NH3+])CN(C)c1ccncc1 258902268 573743523 /nfs/dbraw/zinc/74/35/23/573743523.db2.gz MKAQOCZHHMVZMV-JTQLQIEISA-N 1 3 193.294 1.503 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC1CC1 126982545 573743710 /nfs/dbraw/zinc/74/37/10/573743710.db2.gz FGOTUGRBCLBGAF-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@H+]1CCC1CC1 126982545 573743716 /nfs/dbraw/zinc/74/37/16/573743716.db2.gz FGOTUGRBCLBGAF-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[C@H](NC)[C@@H]1CCCC[NH2+]1 259175114 573743826 /nfs/dbraw/zinc/74/38/26/573743826.db2.gz DKLRBPMJYAZCFL-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO C1CC[C@H]2CN(CC3C[NH2+]C3)[C@H]2CC1 687947894 573743883 /nfs/dbraw/zinc/74/38/83/573743883.db2.gz YMNNBWCKRSROKB-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@H]2C[N@@H+](CC3CNC3)[C@H]2CC1 687947894 573743887 /nfs/dbraw/zinc/74/38/87/573743887.db2.gz YMNNBWCKRSROKB-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CC[C@H]2C[N@H+](CC3CNC3)[C@H]2CC1 687947894 573743890 /nfs/dbraw/zinc/74/38/90/573743890.db2.gz YMNNBWCKRSROKB-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO CNC[C@@](C)(F)[C@@H]1CCC[N@H+](C)C1 257860951 573744323 /nfs/dbraw/zinc/74/43/23/573744323.db2.gz QZFPOTKKKVKSCR-NXEZZACHSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@@](C)(F)[C@@H]1CCC[N@@H+](C)C1 257860951 573744326 /nfs/dbraw/zinc/74/43/26/573744326.db2.gz QZFPOTKKKVKSCR-NXEZZACHSA-N 1 3 188.290 1.276 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)C1CNC1 716154716 573744108 /nfs/dbraw/zinc/74/41/08/573744108.db2.gz HLOWSGWFMHPJIZ-DLOVCJGASA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]([NH2+]CCCCF)C1CNC1 716153139 573744141 /nfs/dbraw/zinc/74/41/41/573744141.db2.gz CTIXMYMLNFCVFN-JTQLQIEISA-N 1 3 188.290 1.324 10 0 ADAEHO CC[C@@H]([NH2+]CC1(C)CCC1)C1CNC1 716154729 573744207 /nfs/dbraw/zinc/74/42/07/573744207.db2.gz HMAQDFYRNKLZRP-LLVKDONJSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C1CNC1 716154728 573746685 /nfs/dbraw/zinc/74/66/85/573746685.db2.gz HLOWSGWFMHPJIZ-WCQGTBRESA-N 1 3 196.338 1.763 10 0 ADAEHO CCC1(C[NH2+][C@@H]2CCNC[C@H]2C)CC1 308701955 573746743 /nfs/dbraw/zinc/74/67/43/573746743.db2.gz VHDQJGFIHGWOHC-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC1(C[NH2+][C@H]2CCNC[C@H]2C)CC1 308701957 573746962 /nfs/dbraw/zinc/74/69/62/573746962.db2.gz VHDQJGFIHGWOHC-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN(c2ccncc2)C1 87043230 573748587 /nfs/dbraw/zinc/74/85/87/573748587.db2.gz GCHZKASDYWNTGX-VHSXEESVSA-N 1 3 191.278 1.255 10 0 ADAEHO CC(C)C1CN([C@H]2CCC[C@@H]([NH3+])C2)C1 108306825 573748857 /nfs/dbraw/zinc/74/88/57/573748857.db2.gz HXPWRWCWRPRJGA-NEPJUHHUSA-N 1 3 196.338 1.844 10 0 ADAEHO CNC1(C[NH2+][C@H]2CC2(C)C)CCCC1 308704807 573749903 /nfs/dbraw/zinc/74/99/03/573749903.db2.gz WIBRICBTOKEBIK-JTQLQIEISA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)C1CN([C@H]2CCC[C@H]([NH3+])C2)C1 108306820 573749074 /nfs/dbraw/zinc/74/90/74/573749074.db2.gz HXPWRWCWRPRJGA-RYUDHWBXSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 108306950 573749199 /nfs/dbraw/zinc/74/91/99/573749199.db2.gz VWNGOOHMLAKILJ-GRYCIOLGSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](N)C2)C1 108306950 573749203 /nfs/dbraw/zinc/74/92/03/573749203.db2.gz VWNGOOHMLAKILJ-GRYCIOLGSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1C[C@H](C)CC[C@H]1C 84045080 573749486 /nfs/dbraw/zinc/74/94/86/573749486.db2.gz JGMWPQGWEFDLMI-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CCN)[N@H+]1C[C@H](C)CC[C@H]1C 84045080 573749491 /nfs/dbraw/zinc/74/94/91/573749491.db2.gz JGMWPQGWEFDLMI-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH+](CC)Cc1ccc(CN)nc1 257865452 573751716 /nfs/dbraw/zinc/75/17/16/573751716.db2.gz RYHRCAVRRPVPRU-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CC[C@@H]1CC[N@H+](C[C@@H]2CCCCN2)C1 108307291 573753202 /nfs/dbraw/zinc/75/32/02/573753202.db2.gz GCDCIMQIJDHNJI-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCCCN2)C1 108307291 573753210 /nfs/dbraw/zinc/75/32/10/573753210.db2.gz GCDCIMQIJDHNJI-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1SCC[C@H]1N(C)CCC[NH3+] 235645505 573752349 /nfs/dbraw/zinc/75/23/49/573752349.db2.gz QJOBHZYLBIBIGB-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1SCC[C@H]1[N@H+](C)CCCN 235645505 573752355 /nfs/dbraw/zinc/75/23/55/573752355.db2.gz QJOBHZYLBIBIGB-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1SCC[C@H]1[N@@H+](C)CCCN 235645505 573752362 /nfs/dbraw/zinc/75/23/62/573752362.db2.gz QJOBHZYLBIBIGB-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H]([NH2+][C@@H](C)C1CNC1)C1CC1 686250461 573752570 /nfs/dbraw/zinc/75/25/70/573752570.db2.gz AHSUETWHFPAKDM-GZMMTYOYSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH2+][C@H](CC(C)(C)N)C(C)(C)C 259564755 573757581 /nfs/dbraw/zinc/75/75/81/573757581.db2.gz WJOPJVYYTCNWSY-MRVPVSSYSA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)C(C)(C)C 258910407 573758082 /nfs/dbraw/zinc/75/80/82/573758082.db2.gz FTCXUGPGEWFGRR-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)C(C)(C)C 258910407 573758088 /nfs/dbraw/zinc/75/80/88/573758088.db2.gz FTCXUGPGEWFGRR-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CNCC1(C[NH2+]CC2CCC2)CCC1 258916592 573758915 /nfs/dbraw/zinc/75/89/15/573758915.db2.gz GJNLHVYGFSCQCT-UHFFFAOYSA-N 1 3 196.338 1.766 10 0 ADAEHO CN(C)C/C=C1\CCC[NH2+]CC1 259620161 573759181 /nfs/dbraw/zinc/75/91/81/573759181.db2.gz FDCDUHIBCPBAIL-UXBLZVDNSA-N 1 3 168.284 1.248 10 0 ADAEHO C[NH2+]CCC(F)(F)[C@H]1CCN(C)C1 257866473 573759314 /nfs/dbraw/zinc/75/93/14/573759314.db2.gz SBDUZLXTXMXGJI-QMMMGPOBSA-N 1 3 192.253 1.183 10 0 ADAEHO CN(CCC1CCCC1)CC1C[NH2+]C1 258913684 573759469 /nfs/dbraw/zinc/75/94/69/573759469.db2.gz NRJOZQFMCAABOK-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO C[N@H+](CCC1CCCC1)CC1CNC1 258913684 573759472 /nfs/dbraw/zinc/75/94/72/573759472.db2.gz NRJOZQFMCAABOK-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO C[N@@H+](CCC1CCCC1)CC1CNC1 258913684 573759476 /nfs/dbraw/zinc/75/94/76/573759476.db2.gz NRJOZQFMCAABOK-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+][C@@H](CC(C)(C)N)C(C)(C)C 259564758 573759677 /nfs/dbraw/zinc/75/96/77/573759677.db2.gz WJOPJVYYTCNWSY-QMMMGPOBSA-N 1 3 172.316 1.748 10 0 ADAEHO C1=CC[C@H](N[C@H]2CCC[NH2+]C2)CC1 84066682 573760697 /nfs/dbraw/zinc/76/06/97/573760697.db2.gz HRHDERYBDZJJFR-QWRGUYRKSA-N 1 3 180.295 1.437 10 0 ADAEHO C1=CC[C@@H](N[C@H]2CCC[NH2+]C2)CC1 84066685 573760870 /nfs/dbraw/zinc/76/08/70/573760870.db2.gz HRHDERYBDZJJFR-MNOVXSKESA-N 1 3 180.295 1.437 10 0 ADAEHO CC(C)[C@@H]1C[C@@H]([NH3+])CN1C1CC1 108332691 573760871 /nfs/dbraw/zinc/76/08/71/573760871.db2.gz YJYSNKBXMCHOBS-SCZZXKLOSA-N 1 3 168.284 1.206 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H]1CCNC[C@@H]1C 308710206 573760972 /nfs/dbraw/zinc/76/09/72/573760972.db2.gz YGXDDSKIZBFXDF-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H]1CCNC[C@@H]1C 308710206 573760979 /nfs/dbraw/zinc/76/09/79/573760979.db2.gz YGXDDSKIZBFXDF-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN1CCC(C)(C)[C@@H]([NH3+])C1 258919144 573763553 /nfs/dbraw/zinc/76/35/53/573763553.db2.gz WJCJFCNDUPYDGC-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[NH2+]C[C@H](CN(C)C(C)C)C(C)C 258918555 573761378 /nfs/dbraw/zinc/76/13/78/573761378.db2.gz GNFSYPMIVWWWJN-LLVKDONJSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@H](C[N@H+](C)C(C)C)C(C)C 258918555 573761382 /nfs/dbraw/zinc/76/13/82/573761382.db2.gz GNFSYPMIVWWWJN-LLVKDONJSA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@H](C[N@@H+](C)C(C)C)C(C)C 258918555 573761388 /nfs/dbraw/zinc/76/13/88/573761388.db2.gz GNFSYPMIVWWWJN-LLVKDONJSA-N 1 3 186.343 1.818 10 0 ADAEHO NC[C@H](C[NH+]1CCCCCC1)C1CC1 258122192 573761455 /nfs/dbraw/zinc/76/14/55/573761455.db2.gz FWFWAVRBSZCNLC-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCN1CCC(C)(C)[C@H]([NH3+])C1 258919142 573761756 /nfs/dbraw/zinc/76/17/56/573761756.db2.gz WJCJFCNDUPYDGC-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[NH2+]C[C@@H](CN(C)C(C)C)C(C)C 258918556 573762004 /nfs/dbraw/zinc/76/20/04/573762004.db2.gz GNFSYPMIVWWWJN-NSHDSACASA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@@H](C[N@H+](C)C(C)C)C(C)C 258918556 573762012 /nfs/dbraw/zinc/76/20/12/573762012.db2.gz GNFSYPMIVWWWJN-NSHDSACASA-N 1 3 186.343 1.818 10 0 ADAEHO CNC[C@@H](C[N@@H+](C)C(C)C)C(C)C 258918556 573762017 /nfs/dbraw/zinc/76/20/17/573762017.db2.gz GNFSYPMIVWWWJN-NSHDSACASA-N 1 3 186.343 1.818 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 84080295 573763578 /nfs/dbraw/zinc/76/35/78/573763578.db2.gz QRWVHYQGZNHLLP-MNOVXSKESA-N 1 3 180.295 1.389 10 0 ADAEHO C/C=C\[C@H](NC)[C@H]1CCC[N@@H+]1C 642835245 573762187 /nfs/dbraw/zinc/76/21/87/573762187.db2.gz ZRQLSWGKFUKQQH-RRAVTNDYSA-N 1 3 168.284 1.245 10 0 ADAEHO C/C=C\[C@H](NC)[C@H]1CCC[N@H+]1C 642835245 573762192 /nfs/dbraw/zinc/76/21/92/573762192.db2.gz ZRQLSWGKFUKQQH-RRAVTNDYSA-N 1 3 168.284 1.245 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H]2CC=CCC2)C1 84080295 573763583 /nfs/dbraw/zinc/76/35/83/573763583.db2.gz QRWVHYQGZNHLLP-MNOVXSKESA-N 1 3 180.295 1.389 10 0 ADAEHO CCCC[N@@H+]1CC[C@@H](CN)[C@@H]1C 259184645 573762202 /nfs/dbraw/zinc/76/22/02/573762202.db2.gz BIHZBMBNDXJOGG-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@H+]1CC[C@@H](CN)[C@@H]1C 259184645 573762210 /nfs/dbraw/zinc/76/22/10/573762210.db2.gz BIHZBMBNDXJOGG-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@@H+]1CC[C@@H](CN)[C@H]1C 259184649 573762257 /nfs/dbraw/zinc/76/22/57/573762257.db2.gz BIHZBMBNDXJOGG-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@H+]1CC[C@@H](CN)[C@H]1C 259184649 573762262 /nfs/dbraw/zinc/76/22/62/573762262.db2.gz BIHZBMBNDXJOGG-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C1=CC[C@H](N[C@@H]2CCC[NH2+]C2)CC1 84066683 573762308 /nfs/dbraw/zinc/76/23/08/573762308.db2.gz HRHDERYBDZJJFR-WDEREUQCSA-N 1 3 180.295 1.437 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H]2CC=CCC2)CC[C@@H]1N 84068038 573762422 /nfs/dbraw/zinc/76/24/22/573762422.db2.gz AGKJBGHHGWRMQE-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H]2CC=CCC2)CC[C@@H]1N 84068038 573762428 /nfs/dbraw/zinc/76/24/28/573762428.db2.gz AGKJBGHHGWRMQE-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1CN([C@H]2CC=CCC2)CC[C@@H]1[NH3+] 84068038 573762434 /nfs/dbraw/zinc/76/24/34/573762434.db2.gz AGKJBGHHGWRMQE-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO CCN1CC[C@@H]([C@]2(CC)CCC[NH2+]2)C1 258123297 573762595 /nfs/dbraw/zinc/76/25/95/573762595.db2.gz IOPFOUSCLZULSS-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)C[C@@H]1CC1CC1 108332699 573762692 /nfs/dbraw/zinc/76/26/92/573762692.db2.gz CPFTUTHBIFSJBC-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1C[C@@H](CN)C[C@@H]1CC1CC1 108332699 573762701 /nfs/dbraw/zinc/76/27/01/573762701.db2.gz CPFTUTHBIFSJBC-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@@H+]1C[C@H](CN)C[C@@H]1CC1CC1 108332697 573762734 /nfs/dbraw/zinc/76/27/34/573762734.db2.gz CPFTUTHBIFSJBC-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1C[C@H](CN)C[C@@H]1CC1CC1 108332697 573762740 /nfs/dbraw/zinc/76/27/40/573762740.db2.gz CPFTUTHBIFSJBC-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1C[C@H]([NH3+])C[C@@H]1C1CCCC1 108332675 573762806 /nfs/dbraw/zinc/76/28/06/573762806.db2.gz ZDSYDNBFDMTEEI-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO NC1CC[NH+]([C@H]2CC=CCC2)CC1 84080304 573762914 /nfs/dbraw/zinc/76/29/14/573762914.db2.gz GHKKAHMQSWHTKG-NSHDSACASA-N 1 3 180.295 1.518 10 0 ADAEHO [NH3+]C1CCN([C@H]2CC=CCC2)CC1 84080304 573762920 /nfs/dbraw/zinc/76/29/20/573762920.db2.gz GHKKAHMQSWHTKG-NSHDSACASA-N 1 3 180.295 1.518 10 0 ADAEHO Cc1cccc([C@@H]2[NH2+]C[C@@H]3[C@@H](N)[C@H]23)c1 238507109 573762981 /nfs/dbraw/zinc/76/29/81/573762981.db2.gz QQMCFFZMOGIRAQ-QCNOEVLYSA-N 1 3 188.274 1.213 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](CN)[C@H]1C 259184643 573763003 /nfs/dbraw/zinc/76/30/03/573763003.db2.gz BIHZBMBNDXJOGG-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@H+]1CC[C@H](CN)[C@H]1C 259184643 573763007 /nfs/dbraw/zinc/76/30/07/573763007.db2.gz BIHZBMBNDXJOGG-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)(C[NH2+]CC1CNC1)C1CCC1 258919047 573763045 /nfs/dbraw/zinc/76/30/45/573763045.db2.gz OENDOCRDUJFOSN-UHFFFAOYSA-N 1 3 196.338 1.622 10 0 ADAEHO CC[C@@H](C1CNC1)[N@@H+]1CCC1(C)C 642835170 573763057 /nfs/dbraw/zinc/76/30/57/573763057.db2.gz ZUIYBFZBXHBZKU-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H](C1CNC1)[N@H+]1CCC1(C)C 642835170 573763060 /nfs/dbraw/zinc/76/30/60/573763060.db2.gz ZUIYBFZBXHBZKU-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H](C1C[NH2+]C1)N1CCC1(C)C 642835170 573763068 /nfs/dbraw/zinc/76/30/68/573763068.db2.gz ZUIYBFZBXHBZKU-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO C1=CC[C@@H](N[C@@H]2CCC[NH2+]C2)CC1 84066687 573763085 /nfs/dbraw/zinc/76/30/85/573763085.db2.gz HRHDERYBDZJJFR-GHMZBOCLSA-N 1 3 180.295 1.437 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CC=CCC2)CC1 84068056 573763096 /nfs/dbraw/zinc/76/30/96/573763096.db2.gz HAMIXMJDMIBJAI-LBPRGKRZSA-N 1 3 194.322 1.779 10 0 ADAEHO CNC1CC[NH+]([C@H]2CC=CCC2)CC1 84068056 573763101 /nfs/dbraw/zinc/76/31/01/573763101.db2.gz HAMIXMJDMIBJAI-LBPRGKRZSA-N 1 3 194.322 1.779 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 84080296 573763179 /nfs/dbraw/zinc/76/31/79/573763179.db2.gz QRWVHYQGZNHLLP-QWRGUYRKSA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@H]2CC=CCC2)C1 84080296 573763183 /nfs/dbraw/zinc/76/31/83/573763183.db2.gz QRWVHYQGZNHLLP-QWRGUYRKSA-N 1 3 180.295 1.389 10 0 ADAEHO CC[N@@H+](C1CCCC1)[C@H](C)C1CNC1 686255233 573763220 /nfs/dbraw/zinc/76/32/20/573763220.db2.gz DLEXOYYLBYHOGQ-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](C1CCCC1)[C@H](C)C1CNC1 686255233 573763223 /nfs/dbraw/zinc/76/32/23/573763223.db2.gz DLEXOYYLBYHOGQ-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](CN)C[N@@H+]1C1CC1 108342718 573766901 /nfs/dbraw/zinc/76/69/01/573766901.db2.gz VSDYCFBMOZTDGE-ZYHUDNBSSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H]1CCNC[C@H]1C 308710211 573764582 /nfs/dbraw/zinc/76/45/82/573764582.db2.gz YGXDDSKIZBFXDF-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H]1CCNC[C@H]1C 308710211 573764590 /nfs/dbraw/zinc/76/45/90/573764590.db2.gz YGXDDSKIZBFXDF-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@H+](C1CC1)[C@@H]1CCNC[C@H]1C 308710214 573764642 /nfs/dbraw/zinc/76/46/42/573764642.db2.gz YGXDDSKIZBFXDF-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@@H]1CCNC[C@H]1C 308710214 573764650 /nfs/dbraw/zinc/76/46/50/573764650.db2.gz YGXDDSKIZBFXDF-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H]1C[C@H]([NH3+])CN1C1CC1 108332687 573764972 /nfs/dbraw/zinc/76/49/72/573764972.db2.gz YJYSNKBXMCHOBS-WPRPVWTQSA-N 1 3 168.284 1.206 10 0 ADAEHO CC[N@@H+](C1CCCC1)[C@@H](C)C1CNC1 686255232 573765222 /nfs/dbraw/zinc/76/52/22/573765222.db2.gz DLEXOYYLBYHOGQ-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](C1CCCC1)[C@@H](C)C1CNC1 686255232 573765227 /nfs/dbraw/zinc/76/52/27/573765227.db2.gz DLEXOYYLBYHOGQ-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO NC[C@@H](C[NH+]1CCCCCC1)C1CC1 258122195 573765601 /nfs/dbraw/zinc/76/56/01/573765601.db2.gz FWFWAVRBSZCNLC-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+][C@H]1CCN([C@@H]2CC=CCC2)C1 84080297 573765668 /nfs/dbraw/zinc/76/56/68/573765668.db2.gz QTYKJLFCAZWVEX-VHSXEESVSA-N 1 3 166.268 1.128 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CC=CCC2)CC1 84068057 573765706 /nfs/dbraw/zinc/76/57/06/573765706.db2.gz HAMIXMJDMIBJAI-GFCCVEGCSA-N 1 3 194.322 1.779 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CC=CCC2)CC1 84068057 573765710 /nfs/dbraw/zinc/76/57/10/573765710.db2.gz HAMIXMJDMIBJAI-GFCCVEGCSA-N 1 3 194.322 1.779 10 0 ADAEHO CCN1CC[C@H]([C@]2(CC)CCC[NH2+]2)C1 258123301 573765803 /nfs/dbraw/zinc/76/58/03/573765803.db2.gz IOPFOUSCLZULSS-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)(N)CC[NH2+]CC1CCCC1 258928278 573765909 /nfs/dbraw/zinc/76/59/09/573765909.db2.gz PBFHPTJSBBXHNQ-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CCN1CC[C@@H]([C@@]2(CC)CCC[NH2+]2)C1 258123302 573766000 /nfs/dbraw/zinc/76/60/00/573766000.db2.gz IOPFOUSCLZULSS-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)C[C@H](Nc2ccncc2)C[NH2+]1 258927853 573766065 /nfs/dbraw/zinc/76/60/65/573766065.db2.gz XETQLFWIHNCOIM-JTQLQIEISA-N 1 3 191.278 1.634 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](CN)C[N@H+]1C1CC1 108342718 573766918 /nfs/dbraw/zinc/76/69/18/573766918.db2.gz VSDYCFBMOZTDGE-ZYHUDNBSSA-N 1 3 196.338 1.844 10 0 ADAEHO Cc1ccc(CNCC2CC([NH3+])C2)o1 258926518 573766586 /nfs/dbraw/zinc/76/65/86/573766586.db2.gz GTDWPDXCKVNWCI-UHFFFAOYSA-N 1 3 194.278 1.415 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)C)C(C)(C)C1 259565478 573769272 /nfs/dbraw/zinc/76/92/72/573769272.db2.gz YFBHYPVJPRUFLA-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)C)C(C)(C)C1 259565478 573769277 /nfs/dbraw/zinc/76/92/77/573769277.db2.gz YFBHYPVJPRUFLA-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)C(C)(C)C1 259565478 573769282 /nfs/dbraw/zinc/76/92/82/573769282.db2.gz YFBHYPVJPRUFLA-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)(CN)C[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 308713214 573768924 /nfs/dbraw/zinc/76/89/24/573768924.db2.gz ZXSIAKBTQBYMKP-URLYPYJESA-N 1 3 196.338 1.607 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)C)C(C)(C)C1 259565477 573770174 /nfs/dbraw/zinc/77/01/74/573770174.db2.gz YFBHYPVJPRUFLA-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)C)C(C)(C)C1 259565477 573770179 /nfs/dbraw/zinc/77/01/79/573770179.db2.gz YFBHYPVJPRUFLA-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)(C[NH3+])CCNc1ccncc1 258934481 573772367 /nfs/dbraw/zinc/77/23/67/573772367.db2.gz PVBDIXKJRIISIC-UHFFFAOYSA-N 1 3 193.294 1.869 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)C)C(C)(C)C1 259565477 573770184 /nfs/dbraw/zinc/77/01/84/573770184.db2.gz YFBHYPVJPRUFLA-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+]C1(CNCC2CC2)CCCCC1 308711109 573771134 /nfs/dbraw/zinc/77/11/34/573771134.db2.gz YTJVIUMPIONTOC-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CN1CC=C(c2ccccc2C[NH3+])C1 257875232 573771379 /nfs/dbraw/zinc/77/13/79/573771379.db2.gz UIYFEBFYVSPZAE-UHFFFAOYSA-N 1 3 188.274 1.474 10 0 ADAEHO N[C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 258934760 573771471 /nfs/dbraw/zinc/77/14/71/573771471.db2.gz JPWUZTVOFGFJRE-WDEREUQCSA-N 1 3 193.294 1.374 10 0 ADAEHO CN(CCC(C)(C)C)CC1C[NH2+]C1 258940304 573772176 /nfs/dbraw/zinc/77/21/76/573772176.db2.gz QIZGWEZTMJJZPL-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO C[N@H+](CCC(C)(C)C)CC1CNC1 258940304 573772182 /nfs/dbraw/zinc/77/21/82/573772182.db2.gz QIZGWEZTMJJZPL-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO C[N@@H+](CCC(C)(C)C)CC1CNC1 258940304 573772185 /nfs/dbraw/zinc/77/21/85/573772185.db2.gz QIZGWEZTMJJZPL-UHFFFAOYSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@H]1[C@H](C)CCC[N@H+]1[C@H](C)CCN 224670506 573772279 /nfs/dbraw/zinc/77/22/79/573772279.db2.gz MWQPLRFGYDYTGP-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1[C@H](C)CCC[N@@H+]1[C@H](C)CCN 224670506 573772280 /nfs/dbraw/zinc/77/22/80/573772280.db2.gz MWQPLRFGYDYTGP-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO NCc1cc2cccc(C[NH3+])c2s1 257876965 573777882 /nfs/dbraw/zinc/77/78/82/573777882.db2.gz JHNHHILVJWBJNO-UHFFFAOYSA-N 1 3 192.287 1.819 10 0 ADAEHO C[C@]12CCC[NH2+][C@H]1C[C@@H](N)CC2 238513115 573777982 /nfs/dbraw/zinc/77/79/82/573777982.db2.gz GVZJEONIENNNJS-LPEHRKFASA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@]12CCCN[C@H]1C[C@@H]([NH3+])CC2 238513115 573777986 /nfs/dbraw/zinc/77/79/86/573777986.db2.gz GVZJEONIENNNJS-LPEHRKFASA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)[C@H](C[NH3+])N(C)c1ccncc1 258936178 573778084 /nfs/dbraw/zinc/77/80/84/573778084.db2.gz VXBIBKHIJTUEQP-NSHDSACASA-N 1 3 193.294 1.501 10 0 ADAEHO Cc1ccc([C@@H](CN)C[NH+](C)C)o1 258118870 573779295 /nfs/dbraw/zinc/77/92/95/573779295.db2.gz LFHBQQPEZAEQJH-VIFPVBQESA-N 1 3 182.267 1.192 10 0 ADAEHO C[C@H](c1ccc(F)c(CN)c1)[NH+](C)C 257876305 573779725 /nfs/dbraw/zinc/77/97/25/573779725.db2.gz UPWYXPICGQBHKH-MRVPVSSYSA-N 1 3 196.269 1.907 10 0 ADAEHO C[C@H](c1ccc(F)c(C[NH3+])c1)N(C)C 257876305 573779733 /nfs/dbraw/zinc/77/97/33/573779733.db2.gz UPWYXPICGQBHKH-MRVPVSSYSA-N 1 3 196.269 1.907 10 0 ADAEHO Cc1ccc([C@H](CN)C[NH+](C)C)o1 258118865 573779864 /nfs/dbraw/zinc/77/98/64/573779864.db2.gz LFHBQQPEZAEQJH-SECBINFHSA-N 1 3 182.267 1.192 10 0 ADAEHO CC[C@@H]([NH3+])CCN1CCCC1 79247867 573780436 /nfs/dbraw/zinc/78/04/36/573780436.db2.gz QINCCWSWILUZRV-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO C[C@@H](c1ccc(F)c(CN)c1)[NH+](C)C 257876307 573780475 /nfs/dbraw/zinc/78/04/75/573780475.db2.gz UPWYXPICGQBHKH-QMMMGPOBSA-N 1 3 196.269 1.907 10 0 ADAEHO C[C@@H](c1ccc(F)c(C[NH3+])c1)N(C)C 257876307 573780481 /nfs/dbraw/zinc/78/04/81/573780481.db2.gz UPWYXPICGQBHKH-QMMMGPOBSA-N 1 3 196.269 1.907 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@H](CN)CC1CC1 404900169 573784714 /nfs/dbraw/zinc/78/47/14/573784714.db2.gz AMWVNXJUJQLGCB-WDEREUQCSA-N 1 3 196.338 1.750 10 0 ADAEHO CC1(C)C[C@H]1NC[C@H](C[NH3+])CC1CC1 404900169 573784723 /nfs/dbraw/zinc/78/47/23/573784723.db2.gz AMWVNXJUJQLGCB-WDEREUQCSA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@@H]1CCC(F)(F)C1 308431427 573784872 /nfs/dbraw/zinc/78/48/72/573784872.db2.gz ZUTJVTOYHLEYBP-HTQZYQBOSA-N 1 3 192.253 1.501 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)C1CCC1 127192135 573785146 /nfs/dbraw/zinc/78/51/46/573785146.db2.gz JYKGJBFZJQTSHE-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)C1CCC1 127192135 573785153 /nfs/dbraw/zinc/78/51/53/573785153.db2.gz JYKGJBFZJQTSHE-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH3+])CC(C)C 259186742 573785165 /nfs/dbraw/zinc/78/51/65/573785165.db2.gz CYLAYAXQKQQUJU-IUCAKERBSA-N 1 3 158.289 1.345 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH3+])CC(C)C 259186741 573785740 /nfs/dbraw/zinc/78/57/40/573785740.db2.gz CYLAYAXQKQQUJU-DTWKUNHWSA-N 1 3 158.289 1.345 10 0 ADAEHO CC(C)(CCN)[NH2+]CC1CCCC1 258946451 573786226 /nfs/dbraw/zinc/78/62/26/573786226.db2.gz WPDIKDZUTBROMU-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CCC1CC([NH2+]C[C@@H](C)CN(C)C)C1 308723757 573788128 /nfs/dbraw/zinc/78/81/28/573788128.db2.gz FNQYMEWXWIVFDT-VOMCLLRMSA-N 1 3 198.354 1.962 10 0 ADAEHO Cn1ccc([C@H]2NCCC[C@H]2C[NH3+])c1 238517061 573788280 /nfs/dbraw/zinc/78/82/80/573788280.db2.gz ZFZWCASBGUKELF-ONGXEEELSA-N 1 3 193.294 1.025 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)C1CCC1 127192391 573788301 /nfs/dbraw/zinc/78/83/01/573788301.db2.gz JYKGJBFZJQTSHE-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)C1CCC1 127192391 573788305 /nfs/dbraw/zinc/78/83/05/573788305.db2.gz JYKGJBFZJQTSHE-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC1CC([NH2+]C[C@H](C)CN(C)C)C1 308723751 573788574 /nfs/dbraw/zinc/78/85/74/573788574.db2.gz FNQYMEWXWIVFDT-UNXYVOJBSA-N 1 3 198.354 1.962 10 0 ADAEHO [NH3+]C[C@@H]1C2CCN(CC2)[C@@H]1C1CCC1 258130127 573789168 /nfs/dbraw/zinc/78/91/68/573789168.db2.gz QEXOLFJLCRLDTP-VXGBXAGGSA-N 1 3 194.322 1.456 10 0 ADAEHO CC(C)[N@@H+]1CCCNC(C)(C)CC1 259187573 573789240 /nfs/dbraw/zinc/78/92/40/573789240.db2.gz BMBYNTNXTVJQOM-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[N@H+]1CCCNC(C)(C)CC1 259187573 573789243 /nfs/dbraw/zinc/78/92/43/573789243.db2.gz BMBYNTNXTVJQOM-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)N1CCC[NH2+]C(C)(C)CC1 259187573 573789248 /nfs/dbraw/zinc/78/92/48/573789248.db2.gz BMBYNTNXTVJQOM-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CN(CCC[NH2+]C1CC1)C1CCC1 127292346 573789667 /nfs/dbraw/zinc/78/96/67/573789667.db2.gz SYUSEMGOCGAWSZ-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@H+](CCCNC1CC1)C1CCC1 127292346 573789672 /nfs/dbraw/zinc/78/96/72/573789672.db2.gz SYUSEMGOCGAWSZ-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@@H+](CCCNC1CC1)C1CCC1 127292346 573789680 /nfs/dbraw/zinc/78/96/80/573789680.db2.gz SYUSEMGOCGAWSZ-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C1CCC1 127301928 573789833 /nfs/dbraw/zinc/78/98/33/573789833.db2.gz KPJFGIMCQDMOQJ-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(C)C1CCC1 127295807 573790002 /nfs/dbraw/zinc/79/00/02/573790002.db2.gz HAUMSEQEMVJFCT-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO Cc1csc([C@@H]2[NH2+]C[C@@H]3[C@@H](N)[C@H]23)c1 238517116 573790282 /nfs/dbraw/zinc/79/02/82/573790282.db2.gz VPXZGHHZDDYABV-ZQNVIIHSSA-N 1 3 194.303 1.274 10 0 ADAEHO Cc1csc([C@@H]2NC[C@@H]3[C@@H]([NH3+])[C@H]23)c1 238517116 573790287 /nfs/dbraw/zinc/79/02/87/573790287.db2.gz VPXZGHHZDDYABV-ZQNVIIHSSA-N 1 3 194.303 1.274 10 0 ADAEHO [NH3+]C[C@H]1C2CCN(CC2)[C@@H]1C1CCC1 258130121 573790427 /nfs/dbraw/zinc/79/04/27/573790427.db2.gz QEXOLFJLCRLDTP-NWDGAFQWSA-N 1 3 194.322 1.456 10 0 ADAEHO CCCN(CCC(N)=[NH2+])CC(C)C 43423036 573790719 /nfs/dbraw/zinc/79/07/19/573790719.db2.gz FQCWFRNKDQDXOU-UHFFFAOYSA-N 1 3 185.315 1.680 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)C1CCC1 127293753 573792002 /nfs/dbraw/zinc/79/20/02/573792002.db2.gz ROSNURLRTBZAKE-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO [NH3+]C[C@H]1C2CCN(CC2)[C@H]1C1CCC1 258130124 573790830 /nfs/dbraw/zinc/79/08/30/573790830.db2.gz QEXOLFJLCRLDTP-RYUDHWBXSA-N 1 3 194.322 1.456 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1C 259185632 573790874 /nfs/dbraw/zinc/79/08/74/573790874.db2.gz HTANQSQEJYNEGW-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1C 259185632 573790880 /nfs/dbraw/zinc/79/08/80/573790880.db2.gz HTANQSQEJYNEGW-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)C1CCC1 127293753 573792007 /nfs/dbraw/zinc/79/20/07/573792007.db2.gz ROSNURLRTBZAKE-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N(C)C1CCC1 127293753 573792012 /nfs/dbraw/zinc/79/20/12/573792012.db2.gz ROSNURLRTBZAKE-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO NCC1(C[NH2+]CCC2CCCC2)CC1 258948817 573791392 /nfs/dbraw/zinc/79/13/92/573791392.db2.gz QOMWJCRKPWRHDE-UHFFFAOYSA-N 1 3 196.338 1.895 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](C)C1CCC1 127293537 573791425 /nfs/dbraw/zinc/79/14/25/573791425.db2.gz ROSNURLRTBZAKE-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](C)C1CCC1 127293537 573791430 /nfs/dbraw/zinc/79/14/30/573791430.db2.gz ROSNURLRTBZAKE-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N(C)C1CCC1 127293537 573791435 /nfs/dbraw/zinc/79/14/35/573791435.db2.gz ROSNURLRTBZAKE-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1C 259185643 573791502 /nfs/dbraw/zinc/79/15/02/573791502.db2.gz HTANQSQEJYNEGW-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)(C)C)[C@H]1C 259185643 573791505 /nfs/dbraw/zinc/79/15/05/573791505.db2.gz HTANQSQEJYNEGW-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)C1CCC1 127301699 573791753 /nfs/dbraw/zinc/79/17/53/573791753.db2.gz KPJFGIMCQDMOQJ-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC1(C)C[C@@H]([NH2+]CC2CCC2)CCN1 258949142 573793171 /nfs/dbraw/zinc/79/31/71/573793171.db2.gz ZGILZTRSGUZSOF-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccncc1 84212784 573796317 /nfs/dbraw/zinc/79/63/17/573796317.db2.gz VUWPZSCSJVYPQH-ONGXEEELSA-N 1 3 191.278 1.621 10 0 ADAEHO CC(C)[C@H](C[NH3+])[C@@H](N)c1ccccc1 259189131 573796362 /nfs/dbraw/zinc/79/63/62/573796362.db2.gz DAWLDYMRZJVFFQ-RYUDHWBXSA-N 1 3 192.306 1.917 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CCCC[C@@H]1CN 84214590 573797899 /nfs/dbraw/zinc/79/78/99/573797899.db2.gz OOINMNACBVQABB-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+]1C[C@H](CN)CC1(C)C 259190551 573798097 /nfs/dbraw/zinc/79/80/97/573798097.db2.gz BOVZFQNALZLHOG-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+]1C[C@H](CN)CC1(C)C 259190551 573798099 /nfs/dbraw/zinc/79/80/99/573798099.db2.gz BOVZFQNALZLHOG-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccncc1 84212783 573796580 /nfs/dbraw/zinc/79/65/80/573796580.db2.gz VUWPZSCSJVYPQH-GXSJLCMTSA-N 1 3 191.278 1.621 10 0 ADAEHO CC(C)[C@H](C[NH3+])[C@H](N)c1ccccc1 259189130 573796663 /nfs/dbraw/zinc/79/66/63/573796663.db2.gz DAWLDYMRZJVFFQ-NWDGAFQWSA-N 1 3 192.306 1.917 10 0 ADAEHO CC(C)[C@H](N)C[N@H+](C)C1CCC1 127303441 573796917 /nfs/dbraw/zinc/79/69/17/573796917.db2.gz OKBAWOCISSCLCM-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H](N)C[N@@H+](C)C1CCC1 127303441 573796921 /nfs/dbraw/zinc/79/69/21/573796921.db2.gz OKBAWOCISSCLCM-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CCCC[C@@H]1CN 84214591 573796954 /nfs/dbraw/zinc/79/69/54/573796954.db2.gz OOINMNACBVQABB-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CCCC[C@@H]1CN 84214591 573796958 /nfs/dbraw/zinc/79/69/58/573796958.db2.gz OOINMNACBVQABB-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CCC[C@@H]1CN 84213575 573797204 /nfs/dbraw/zinc/79/72/04/573797204.db2.gz NKXMWVZIQURZDB-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CCC[C@@H]1CN 84213575 573797213 /nfs/dbraw/zinc/79/72/13/573797213.db2.gz NKXMWVZIQURZDB-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](NC)c1ccc[nH]1 259191607 573797313 /nfs/dbraw/zinc/79/73/13/573797313.db2.gz KIIMGASEGJHZMU-SCZZXKLOSA-N 1 3 181.283 1.260 10 0 ADAEHO COCC[N@H+](C(C)C)[C@H](C)[C@@H](C)N 131236657 573797382 /nfs/dbraw/zinc/79/73/82/573797382.db2.gz FMXWCRPOPWSPLK-NXEZZACHSA-N 1 3 188.315 1.079 10 0 ADAEHO COCC[N@@H+](C(C)C)[C@H](C)[C@@H](C)N 131236657 573797386 /nfs/dbraw/zinc/79/73/86/573797386.db2.gz FMXWCRPOPWSPLK-NXEZZACHSA-N 1 3 188.315 1.079 10 0 ADAEHO CC(C)[C@@H](C[NH3+])[C@H](N)c1ccccc1 259189133 573797421 /nfs/dbraw/zinc/79/74/21/573797421.db2.gz DAWLDYMRZJVFFQ-VXGBXAGGSA-N 1 3 192.306 1.917 10 0 ADAEHO CCN1CCC[C@@H]1C1([NH3+])CCC1 258131014 573797478 /nfs/dbraw/zinc/79/74/78/573797478.db2.gz UTWGKQBYYPVZPM-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H](C[NH3+])CCNc1ccncc1 258950232 573797569 /nfs/dbraw/zinc/79/75/69/573797569.db2.gz RGDSEHKHKSZMJJ-SECBINFHSA-N 1 3 179.267 1.478 10 0 ADAEHO CN[C@@H](C(C)C)C(C)(C)[NH2+]C 259571860 573797767 /nfs/dbraw/zinc/79/77/67/573797767.db2.gz WSVZYAZISQPNHD-QMMMGPOBSA-N 1 3 158.289 1.228 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CCCC[C@@H]1CN 84214590 573797894 /nfs/dbraw/zinc/79/78/94/573797894.db2.gz OOINMNACBVQABB-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](NC)c1ccc[nH]1 259191610 573798006 /nfs/dbraw/zinc/79/80/06/573798006.db2.gz KIIMGASEGJHZMU-WPRPVWTQSA-N 1 3 181.283 1.260 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CCC[C@@H]1CN 84213574 573798528 /nfs/dbraw/zinc/79/85/28/573798528.db2.gz NKXMWVZIQURZDB-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CCC[C@@H]1CN 84213574 573798534 /nfs/dbraw/zinc/79/85/34/573798534.db2.gz NKXMWVZIQURZDB-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[N@@H+]1C[C@@H](CN)CC1(C)C 259190547 573799597 /nfs/dbraw/zinc/79/95/97/573799597.db2.gz BOVZFQNALZLHOG-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+]1C[C@@H](CN)CC1(C)C 259190547 573799603 /nfs/dbraw/zinc/79/96/03/573799603.db2.gz BOVZFQNALZLHOG-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@H](C)C1CNC1 686255371 573800688 /nfs/dbraw/zinc/80/06/88/573800688.db2.gz GFGXMPZPLDSCAT-OUAUKWLOSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H](C)C1CNC1 686255371 573800692 /nfs/dbraw/zinc/80/06/92/573800692.db2.gz GFGXMPZPLDSCAT-OUAUKWLOSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H](N)[C@H](C[NH2+]C)C(C)C 259193270 573801791 /nfs/dbraw/zinc/80/17/91/573801791.db2.gz DCPCFISLSBGYIC-RKDXNWHRSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@@H](C1CNC1)[N@@H+]1CCC12CCC2 716190927 573801841 /nfs/dbraw/zinc/80/18/41/573801841.db2.gz QPNPIIGOKRXAAX-NSHDSACASA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H](C1CNC1)[N@H+]1CCC12CCC2 716190927 573801845 /nfs/dbraw/zinc/80/18/45/573801845.db2.gz QPNPIIGOKRXAAX-NSHDSACASA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H](C1C[NH2+]C1)N1CCC12CCC2 716190927 573801851 /nfs/dbraw/zinc/80/18/51/573801851.db2.gz QPNPIIGOKRXAAX-NSHDSACASA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@H](N)C[N@@H+](CCOC)C(C)C 131268222 573808797 /nfs/dbraw/zinc/80/87/97/573808797.db2.gz VACBBXBUMBKHEP-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](C)NC(C)(C)C[NH2+]C 258955683 573809191 /nfs/dbraw/zinc/80/91/91/573809191.db2.gz MBQKPQPVNHTMJJ-MRVPVSSYSA-N 1 3 158.289 1.373 10 0 ADAEHO CN[C@H](C(C)C)[C@H]1CCCC[NH2+]1 259571757 573809203 /nfs/dbraw/zinc/80/92/03/573809203.db2.gz WSPPWLMAPXRJCG-NXEZZACHSA-N 1 3 170.300 1.373 10 0 ADAEHO CN[C@@H](C)C[C@H](C)[N@@H+](C)C1CCC1 127366083 573813015 /nfs/dbraw/zinc/81/30/15/573813015.db2.gz NUNFAPCFAVVQSR-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC(CC)N1CC(C[NH3+])C1 87174331 573808501 /nfs/dbraw/zinc/80/85/01/573808501.db2.gz KIJSNNBQIYCAIO-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC(CC)[NH+]1CC(CN)C1 87174331 573808508 /nfs/dbraw/zinc/80/85/08/573808508.db2.gz KIJSNNBQIYCAIO-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H](N)C[N@H+](CCOC)C(C)C 131268222 573808791 /nfs/dbraw/zinc/80/87/91/573808791.db2.gz VACBBXBUMBKHEP-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO Cc1nc(C[C@H]2CCC[NH2+]C2)c(C)[nH]1 257879333 573808905 /nfs/dbraw/zinc/80/89/05/573808905.db2.gz VDHXNEBPCCTSKU-SNVBAGLBSA-N 1 3 193.294 1.569 10 0 ADAEHO F[C@@H]1CCN[C@@H]([C@@H]2CCC[NH2+]C2)C1 238528796 573811210 /nfs/dbraw/zinc/81/12/10/573811210.db2.gz XOKSXAOSQGYSNI-OPRDCNLKSA-N 1 3 186.274 1.076 10 0 ADAEHO F[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCNC2)C1 238528796 573811213 /nfs/dbraw/zinc/81/12/13/573811213.db2.gz XOKSXAOSQGYSNI-OPRDCNLKSA-N 1 3 186.274 1.076 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc[nH]1 259196439 573811283 /nfs/dbraw/zinc/81/12/83/573811283.db2.gz WRFUFOUJRDODES-MNOVXSKESA-N 1 3 193.294 1.027 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)[C@@H](C)CCN 41042559 573812546 /nfs/dbraw/zinc/81/25/46/573812546.db2.gz FDQYMHHAPNVQAI-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)[C@@H](C)CCN 41042559 573812551 /nfs/dbraw/zinc/81/25/51/573812551.db2.gz FDQYMHHAPNVQAI-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CNC[C@H]1CC[N@H+](CCC(C)C)[C@H]1C 259200960 573812936 /nfs/dbraw/zinc/81/29/36/573812936.db2.gz IXPKNJBSWWIMSR-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CCC(C)C)[C@H]1C 259200960 573812941 /nfs/dbraw/zinc/81/29/41/573812941.db2.gz IXPKNJBSWWIMSR-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@@H](C)C[C@H](C)N(C)C1CCC1 127366083 573813008 /nfs/dbraw/zinc/81/30/08/573813008.db2.gz NUNFAPCFAVVQSR-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H](C)C[C@H](C)[N@H+](C)C1CCC1 127366083 573813010 /nfs/dbraw/zinc/81/30/10/573813010.db2.gz NUNFAPCFAVVQSR-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCNC[C@]1(C)CCCC[NH2+]1 127354261 573813110 /nfs/dbraw/zinc/81/31/10/573813110.db2.gz QRRFIARIMWPOJW-JTQLQIEISA-N 1 3 170.300 1.518 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)C1CCCC1 41042540 573813289 /nfs/dbraw/zinc/81/32/89/573813289.db2.gz UTTOIKXSJIJACU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@H+](C[C@@H](N)C1CCCC1)C1CCC1 127352541 573813275 /nfs/dbraw/zinc/81/32/75/573813275.db2.gz UJHSWQKOYXHTDU-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+](C)C1CCCC1 41042540 573813281 /nfs/dbraw/zinc/81/32/81/573813281.db2.gz UTTOIKXSJIJACU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@@H+](C[C@@H](N)C1CCCC1)C1CCC1 127352541 573813284 /nfs/dbraw/zinc/81/32/84/573813284.db2.gz UJHSWQKOYXHTDU-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO CNC[C@@H](F)C[C@H]1CCC[N@H+](C)C1 257880174 573813327 /nfs/dbraw/zinc/81/33/27/573813327.db2.gz VGYDWJRBRNVAJF-ZJUUUORDSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@@H](F)C[C@H]1CCC[N@@H+](C)C1 257880174 573813332 /nfs/dbraw/zinc/81/33/32/573813332.db2.gz VGYDWJRBRNVAJF-ZJUUUORDSA-N 1 3 188.290 1.276 10 0 ADAEHO CC(C)(N)CC[NH2+]CC1CCC1 258960336 573813433 /nfs/dbraw/zinc/81/34/33/573813433.db2.gz SJPUXVUEVZDHFS-UHFFFAOYSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[N@@H+](C1CCCC1)[C@H](C)CCN 41042576 573813482 /nfs/dbraw/zinc/81/34/82/573813482.db2.gz LMMFPLDHCUHZRD-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[N@H+](C1CCCC1)[C@H](C)CCN 41042576 573813486 /nfs/dbraw/zinc/81/34/86/573813486.db2.gz LMMFPLDHCUHZRD-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[NH2+][C@@H](C[C@H](C)N)C1CCC1 259204754 573820362 /nfs/dbraw/zinc/82/03/62/573820362.db2.gz DOXVJSCHUSLQOH-CBAPKCEASA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H](C[NH3+])CCCNCc1ccco1 131198986 573817378 /nfs/dbraw/zinc/81/73/78/573817378.db2.gz TVZOMZNWZCTXRC-SNVBAGLBSA-N 1 3 196.294 1.744 10 0 ADAEHO C[NH2+][C@@H](C)C[C@@H](C)N(C)C1CCC1 127365592 573814553 /nfs/dbraw/zinc/81/45/53/573814553.db2.gz NUNFAPCFAVVQSR-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)CC1(C)C 259198725 573814555 /nfs/dbraw/zinc/81/45/55/573814555.db2.gz IRAULMRPRGUJNT-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H](C)C[C@@H](C)[N@H+](C)C1CCC1 127365592 573814557 /nfs/dbraw/zinc/81/45/57/573814557.db2.gz NUNFAPCFAVVQSR-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H](C)C[C@@H](C)[N@@H+](C)C1CCC1 127365592 573814561 /nfs/dbraw/zinc/81/45/61/573814561.db2.gz NUNFAPCFAVVQSR-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[NH2+]CCCN(C)C1CCC1 127365360 573814793 /nfs/dbraw/zinc/81/47/93/573814793.db2.gz AUQJVIGPEPDSFV-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CNC[C@H](F)C[C@H]1CCC[N@H+](C)C1 257880167 573814805 /nfs/dbraw/zinc/81/48/05/573814805.db2.gz VGYDWJRBRNVAJF-NXEZZACHSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@H](F)C[C@H]1CCC[N@@H+](C)C1 257880167 573814814 /nfs/dbraw/zinc/81/48/14/573814814.db2.gz VGYDWJRBRNVAJF-NXEZZACHSA-N 1 3 188.290 1.276 10 0 ADAEHO CN[C@@H](C(C)C)[C@H]1CCCC[NH2+]1 259571770 573815074 /nfs/dbraw/zinc/81/50/74/573815074.db2.gz WSPPWLMAPXRJCG-ZJUUUORDSA-N 1 3 170.300 1.373 10 0 ADAEHO CN[C@@H](C(C)C)[C@@H]1CCCC[NH2+]1 259571763 573815453 /nfs/dbraw/zinc/81/54/53/573815453.db2.gz WSPPWLMAPXRJCG-UWVGGRQHSA-N 1 3 170.300 1.373 10 0 ADAEHO C[N@H+](C[C@H](N)C1CCCC1)C1CCC1 127352298 573815559 /nfs/dbraw/zinc/81/55/59/573815559.db2.gz UJHSWQKOYXHTDU-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C[C@H](N)C1CCCC1)C1CCC1 127352298 573815567 /nfs/dbraw/zinc/81/55/67/573815567.db2.gz UJHSWQKOYXHTDU-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CCC[C@@H]([C@@]2(C)CCCC[NH2+]2)C1 258146731 573818871 /nfs/dbraw/zinc/81/88/71/573818871.db2.gz KCZOINHJOLYEHK-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)CNC[C@]1(C)CCCC[NH2+]1 127357596 573815878 /nfs/dbraw/zinc/81/58/78/573815878.db2.gz VLPLGLPMNYTFTR-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO CN[C@H](C(C)C)[C@@H]1CCCC[NH2+]1 259571767 573815914 /nfs/dbraw/zinc/81/59/14/573815914.db2.gz WSPPWLMAPXRJCG-VHSXEESVSA-N 1 3 170.300 1.373 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CCC(C)C)[C@@H]1C 259200957 573815940 /nfs/dbraw/zinc/81/59/40/573815940.db2.gz IXPKNJBSWWIMSR-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CCC(C)C)[C@@H]1C 259200957 573815948 /nfs/dbraw/zinc/81/59/48/573815948.db2.gz IXPKNJBSWWIMSR-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)NC[C@]1(C)CCCC[NH2+]1 127356217 573815969 /nfs/dbraw/zinc/81/59/69/573815969.db2.gz ODINZRMHWIRZHM-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO CC[NH+]1CCC([C@@H]2NCCCO2)CC1 258147879 573817205 /nfs/dbraw/zinc/81/72/05/573817205.db2.gz PEZNDKUVUJKLNS-LLVKDONJSA-N 1 3 198.310 1.054 10 0 ADAEHO CNC[C@H](F)C[C@@H]1CCC[N@H+](C)C1 257880172 573816409 /nfs/dbraw/zinc/81/64/09/573816409.db2.gz VGYDWJRBRNVAJF-VHSXEESVSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@H](F)C[C@@H]1CCC[N@@H+](C)C1 257880172 573816415 /nfs/dbraw/zinc/81/64/15/573816415.db2.gz VGYDWJRBRNVAJF-VHSXEESVSA-N 1 3 188.290 1.276 10 0 ADAEHO CC[C@@H](C)NC[C@@]1(C)CCCC[NH2+]1 127356625 573816494 /nfs/dbraw/zinc/81/64/94/573816494.db2.gz ODINZRMHWIRZHM-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO CNC[C@@H](F)C[C@@H]1CCC[N@H+](C)C1 257880170 573816904 /nfs/dbraw/zinc/81/69/04/573816904.db2.gz VGYDWJRBRNVAJF-UWVGGRQHSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@@H](F)C[C@@H]1CCC[N@@H+](C)C1 257880170 573816908 /nfs/dbraw/zinc/81/69/08/573816908.db2.gz VGYDWJRBRNVAJF-UWVGGRQHSA-N 1 3 188.290 1.276 10 0 ADAEHO CC(C)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 41043422 573817053 /nfs/dbraw/zinc/81/70/53/573817053.db2.gz WYUAHOLALRZJFC-FGWVZKOKSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 41043422 573817057 /nfs/dbraw/zinc/81/70/57/573817057.db2.gz WYUAHOLALRZJFC-FGWVZKOKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[NH2+][C@H](CC(C)C)C[C@H](C)N 259200506 573818823 /nfs/dbraw/zinc/81/88/23/573818823.db2.gz DKKHDJUEFJVJKW-DTWKUNHWSA-N 1 3 158.289 1.358 10 0 ADAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C1CCC1 127366313 573817299 /nfs/dbraw/zinc/81/72/99/573817299.db2.gz NUNFAPCFAVVQSR-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@H+](C)C1CCC1 127366313 573817303 /nfs/dbraw/zinc/81/73/03/573817303.db2.gz NUNFAPCFAVVQSR-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@H](C)[N@@H+](C)C1CCC1 127366313 573817307 /nfs/dbraw/zinc/81/73/07/573817307.db2.gz NUNFAPCFAVVQSR-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCNC[C@@]1(C)CCCC[NH2+]1 127354498 573817411 /nfs/dbraw/zinc/81/74/11/573817411.db2.gz QRRFIARIMWPOJW-SNVBAGLBSA-N 1 3 170.300 1.518 10 0 ADAEHO C[C@H](C[NH3+])CCCNCc1ccco1 131198783 573818217 /nfs/dbraw/zinc/81/82/17/573818217.db2.gz TVZOMZNWZCTXRC-JTQLQIEISA-N 1 3 196.294 1.744 10 0 ADAEHO Cc1ccc([C@H](N)[C@H](C)C[NH3+])c(C)c1 259201472 573817529 /nfs/dbraw/zinc/81/75/29/573817529.db2.gz GBJRGZRCRMLKDV-ZYHUDNBSSA-N 1 3 192.306 1.898 10 0 ADAEHO CN1CCC[C@H]([C@@]2(C)CCCC[NH2+]2)C1 258146725 573817614 /nfs/dbraw/zinc/81/76/14/573817614.db2.gz KCZOINHJOLYEHK-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CN1CCC[C@@H]([C@]2(C)CCCC[NH2+]2)C1 258146724 573817637 /nfs/dbraw/zinc/81/76/37/573817637.db2.gz KCZOINHJOLYEHK-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)C[C@@H](C)N 259200503 573817708 /nfs/dbraw/zinc/81/77/08/573817708.db2.gz DKKHDJUEFJVJKW-BDAKNGLRSA-N 1 3 158.289 1.358 10 0 ADAEHO C[NH2+][C@H](CC(C)C)C[C@@H](C)N 259200513 573817735 /nfs/dbraw/zinc/81/77/35/573817735.db2.gz DKKHDJUEFJVJKW-RKDXNWHRSA-N 1 3 158.289 1.358 10 0 ADAEHO Cc1ccc([C@H](N)[C@@H](C)C[NH3+])c(C)c1 259201464 573817921 /nfs/dbraw/zinc/81/79/21/573817921.db2.gz GBJRGZRCRMLKDV-CMPLNLGQSA-N 1 3 192.306 1.898 10 0 ADAEHO Cc1ccc([C@@H](N)[C@H](C)C[NH3+])c(C)c1 259201470 573818082 /nfs/dbraw/zinc/81/80/82/573818082.db2.gz GBJRGZRCRMLKDV-PWSUYJOCSA-N 1 3 192.306 1.898 10 0 ADAEHO C1CN[C@@H]2[C@H](C1)CCC[N@@H+]1CCC[C@H]21 257883480 573818237 /nfs/dbraw/zinc/81/82/37/573818237.db2.gz VWQREJWJRXCYJT-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CN[C@@H]2[C@H](C1)CCC[N@H+]1CCC[C@H]21 257883480 573818240 /nfs/dbraw/zinc/81/82/40/573818240.db2.gz VWQREJWJRXCYJT-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C1C[NH2+][C@@H]2[C@H](C1)CCCN1CCC[C@H]21 257883480 573818246 /nfs/dbraw/zinc/81/82/46/573818246.db2.gz VWQREJWJRXCYJT-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C[NH2+][C@H](c1ccc[nH]1)C1(CN)CC1 259200525 573818384 /nfs/dbraw/zinc/81/83/84/573818384.db2.gz FIMZXQJMOPZDBL-SECBINFHSA-N 1 3 179.267 1.014 10 0 ADAEHO CC(C)(N)C1([NH3+])CCCCC1 238138059 573819725 /nfs/dbraw/zinc/81/97/25/573819725.db2.gz UMORXSMGSQUEPJ-UHFFFAOYSA-N 1 3 156.273 1.385 10 0 ADAEHO CC(C)([NH3+])C1(N)CCCCC1 238138059 573819731 /nfs/dbraw/zinc/81/97/31/573819731.db2.gz UMORXSMGSQUEPJ-UHFFFAOYSA-N 1 3 156.273 1.385 10 0 ADAEHO CC[NH+]1CCC([C@H]2NCCCO2)CC1 258147889 573819812 /nfs/dbraw/zinc/81/98/12/573819812.db2.gz PEZNDKUVUJKLNS-NSHDSACASA-N 1 3 198.310 1.054 10 0 ADAEHO C[NH2+][C@H](C[C@@H](C)N)C1CCC1 259204758 573819900 /nfs/dbraw/zinc/81/99/00/573819900.db2.gz DOXVJSCHUSLQOH-VXNVDRBHSA-N 1 3 156.273 1.112 10 0 ADAEHO C[NH2+][C@H](C[C@H](C)N)C1CCC1 259204756 573820092 /nfs/dbraw/zinc/82/00/92/573820092.db2.gz DOXVJSCHUSLQOH-IONNQARKSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@@H]([NH3+])C1(CN)CCC1 259202995 573820461 /nfs/dbraw/zinc/82/04/61/573820461.db2.gz DOCVRYFOBYEGRO-MRVPVSSYSA-N 1 3 156.273 1.243 10 0 ADAEHO C[NH2+]CCCC1=CCN(C)CC1 258148329 573820465 /nfs/dbraw/zinc/82/04/65/573820465.db2.gz QVFNWBBDGJIQJV-UHFFFAOYSA-N 1 3 168.284 1.248 10 0 ADAEHO C[N@H+](C[C@H](N)C1CC1)C1CCC1 127314156 573821808 /nfs/dbraw/zinc/82/18/08/573821808.db2.gz ABIONPFXGKKDSQ-JTQLQIEISA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C[C@H](N)C1CC1)C1CCC1 127314156 573821815 /nfs/dbraw/zinc/82/18/15/573821815.db2.gz ABIONPFXGKKDSQ-JTQLQIEISA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[C@H](N)C[N@H+](C)C1CCC1 127335128 573826897 /nfs/dbraw/zinc/82/68/97/573826897.db2.gz BEAYIZLTHNWPEV-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@H](N)C[N@@H+](C)C1CCC1 127335128 573826903 /nfs/dbraw/zinc/82/69/03/573826903.db2.gz BEAYIZLTHNWPEV-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](C)N(CCC(N)=[NH2+])C1CC1 233275516 573826937 /nfs/dbraw/zinc/82/69/37/573826937.db2.gz PHGFJBSIMRAMHC-SECBINFHSA-N 1 3 197.326 1.965 10 0 ADAEHO CCC[C@@H](N)C[N@H+](C)C1CCC1 127335359 573827896 /nfs/dbraw/zinc/82/78/96/573827896.db2.gz BEAYIZLTHNWPEV-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](N)C[N@@H+](C)C1CCC1 127335359 573827900 /nfs/dbraw/zinc/82/79/00/573827900.db2.gz BEAYIZLTHNWPEV-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@@H](CC)C1 122850788 573828918 /nfs/dbraw/zinc/82/89/18/573828918.db2.gz OOKPXCPODMRLHN-UTSBZEJYSA-N 1 3 182.311 1.622 10 0 ADAEHO CNCC1([C@H]([NH2+]C)C(C)C)CC1 259205124 573829157 /nfs/dbraw/zinc/82/91/57/573829157.db2.gz FOKAXTJFHODJSZ-SECBINFHSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[NH+]1CCC(C[C@H]2NCCO2)CC1 258143024 573829169 /nfs/dbraw/zinc/82/91/69/573829169.db2.gz ORVOOEZSLVOGLI-NSHDSACASA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 235658919 573832784 /nfs/dbraw/zinc/83/27/84/573832784.db2.gz HAFABPFIVQCJGC-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO C1CC[C@@H](CC[NH2+]CC2CCC2)NC1 258961879 573832847 /nfs/dbraw/zinc/83/28/47/573832847.db2.gz JMMMZOJSNDJEPF-LBPRGKRZSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCCC[C@H]1N 87222568 573832919 /nfs/dbraw/zinc/83/29/19/573832919.db2.gz RSDOINFKLNXZMS-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@H](C[NH3+])CNCc1cc[nH]c1 258965054 573832926 /nfs/dbraw/zinc/83/29/26/573832926.db2.gz KTIMRBZOFYIEJD-SECBINFHSA-N 1 3 181.283 1.089 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222639 573833029 /nfs/dbraw/zinc/83/30/29/573833029.db2.gz NBNJACLPDWYAHZ-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CCCCC[C@@H]1[NH3+] 87222639 573833032 /nfs/dbraw/zinc/83/30/32/573833032.db2.gz NBNJACLPDWYAHZ-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H](C[NH3+])CNCc1cc[nH]c1 258965056 573833034 /nfs/dbraw/zinc/83/30/34/573833034.db2.gz KTIMRBZOFYIEJD-VIFPVBQESA-N 1 3 181.283 1.089 10 0 ADAEHO C1CC[C@H](CC[NH2+]CC2CCC2)NC1 258961877 573833224 /nfs/dbraw/zinc/83/32/24/573833224.db2.gz JMMMZOJSNDJEPF-GFCCVEGCSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222564 573833207 /nfs/dbraw/zinc/83/32/07/573833207.db2.gz RSDOINFKLNXZMS-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO N[C@H]1CCCCC[C@H]1C[NH2+]CC1CC1 87222577 573833539 /nfs/dbraw/zinc/83/35/39/573833539.db2.gz QWLFYBLOGUHNCD-RYUDHWBXSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H](C)C1CNC1 686255499 573833626 /nfs/dbraw/zinc/83/36/26/573833626.db2.gz MJUBVWODQWAFKP-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H](C)C1CNC1 686255499 573833630 /nfs/dbraw/zinc/83/36/30/573833630.db2.gz MJUBVWODQWAFKP-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+]([C@H](C)C2CNC2)C1 686255476 573833683 /nfs/dbraw/zinc/83/36/83/573833683.db2.gz LBSKDTWJFIKWEH-MNOVXSKESA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)[C@H]1CC[N@H+]([C@H](C)C2CNC2)C1 686255476 573833686 /nfs/dbraw/zinc/83/36/86/573833686.db2.gz LBSKDTWJFIKWEH-MNOVXSKESA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H](C1CNC1)[N@@H+]1CCC[C@H]1C 686255496 573833697 /nfs/dbraw/zinc/83/36/97/573833697.db2.gz MJUBVWODQWAFKP-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H](C1CNC1)[N@H+]1CCC[C@H]1C 686255496 573833701 /nfs/dbraw/zinc/83/37/01/573833701.db2.gz MJUBVWODQWAFKP-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCCCC[C@@H]1N 87222512 573833758 /nfs/dbraw/zinc/83/37/58/573833758.db2.gz ISSRNNPYPZGUSP-MNOVXSKESA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H](C)C1CNC1 686255498 573833833 /nfs/dbraw/zinc/83/38/33/573833833.db2.gz MJUBVWODQWAFKP-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H](C)C1CNC1 686255498 573833834 /nfs/dbraw/zinc/83/38/34/573833834.db2.gz MJUBVWODQWAFKP-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@H](C)C2CNC2)C[C@H]1C 686255675 573833843 /nfs/dbraw/zinc/83/38/43/573833843.db2.gz QFGAWLIXLVCORW-LOKLDPHHSA-N 1 3 182.311 1.228 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+]([C@@H](C)C2CNC2)C1 686255477 573834037 /nfs/dbraw/zinc/83/40/37/573834037.db2.gz LBSKDTWJFIKWEH-QWRGUYRKSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)[C@H]1CC[N@H+]([C@@H](C)C2CNC2)C1 686255477 573834041 /nfs/dbraw/zinc/83/40/41/573834041.db2.gz LBSKDTWJFIKWEH-QWRGUYRKSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C1CNC1 686255674 573834124 /nfs/dbraw/zinc/83/41/24/573834124.db2.gz QFGAWLIXLVCORW-HJGDQZAQSA-N 1 3 182.311 1.228 10 0 ADAEHO C[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222556 573836070 /nfs/dbraw/zinc/83/60/70/573836070.db2.gz RYRJRXLTDYJUKK-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO CNC[C@@H]1CCCCC[C@@H]1[NH3+] 87222556 573836075 /nfs/dbraw/zinc/83/60/75/573836075.db2.gz RYRJRXLTDYJUKK-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+]C[C@H]1CCCCC[C@@H]1N 87222558 573836170 /nfs/dbraw/zinc/83/61/70/573836170.db2.gz RYRJRXLTDYJUKK-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO CNC[C@H]1CCCCC[C@@H]1[NH3+] 87222558 573836173 /nfs/dbraw/zinc/83/61/73/573836173.db2.gz RYRJRXLTDYJUKK-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO CN[C@@H](C[NH2+]C1CC1)C1CCCCC1 259575192 573836224 /nfs/dbraw/zinc/83/62/24/573836224.db2.gz WWTXRZBDLQZJBF-LBPRGKRZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCC[N@@H+](C1CC1)[C@H](C)C1CNC1 686255694 573836529 /nfs/dbraw/zinc/83/65/29/573836529.db2.gz QYIHZPLOTAGPSG-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC[N@H+](C1CC1)[C@H](C)C1CNC1 686255694 573836535 /nfs/dbraw/zinc/83/65/35/573836535.db2.gz QYIHZPLOTAGPSG-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCN(C1CC1)[C@H](C)C1C[NH2+]C1 686255694 573836539 /nfs/dbraw/zinc/83/65/39/573836539.db2.gz QYIHZPLOTAGPSG-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@H]1NCCc2[nH+]c(N)[nH]c21 238154807 573836648 /nfs/dbraw/zinc/83/66/48/573836648.db2.gz GKJUDYAKERWHFN-MRVPVSSYSA-N 1 3 194.282 1.225 10 0 ADAEHO Cc1ccccc1[C@@H]([NH3+])C(C)(C)CN 259575284 573836772 /nfs/dbraw/zinc/83/67/72/573836772.db2.gz YUIFUXMEUZJWKP-LLVKDONJSA-N 1 3 192.306 1.980 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C2CNC2)C1 686255478 573836817 /nfs/dbraw/zinc/83/68/17/573836817.db2.gz LBSKDTWJFIKWEH-WDEREUQCSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C2CNC2)C1 686255478 573836823 /nfs/dbraw/zinc/83/68/23/573836823.db2.gz LBSKDTWJFIKWEH-WDEREUQCSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[NH2+]C[C@H]1CCCCC[C@@H]1N 87222566 573836903 /nfs/dbraw/zinc/83/69/03/573836903.db2.gz RSDOINFKLNXZMS-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO C[NH2+]C[C@H]1CCCCC[C@H]1N 87222562 573836936 /nfs/dbraw/zinc/83/69/36/573836936.db2.gz RYRJRXLTDYJUKK-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO CNC[C@H]1CCCCC[C@H]1[NH3+] 87222562 573836942 /nfs/dbraw/zinc/83/69/42/573836942.db2.gz RYRJRXLTDYJUKK-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO CC1CCC([C@@H](N)C[NH3+])CC1 84339275 573837236 /nfs/dbraw/zinc/83/72/36/573837236.db2.gz NQHHJLYPLCQCRY-HACHORDNSA-N 1 3 156.273 1.099 10 0 ADAEHO CN(C)C1(c2ccccc2C[NH3+])CC1 259623141 573839527 /nfs/dbraw/zinc/83/95/27/573839527.db2.gz FMLYKZBDSIUXGF-UHFFFAOYSA-N 1 3 190.290 1.696 10 0 ADAEHO CSC[C@H](C)[NH2+]C1CCNCC1 127392912 573839694 /nfs/dbraw/zinc/83/96/94/573839694.db2.gz KPBAGQUSDOFWAR-QMMMGPOBSA-N 1 3 188.340 1.080 10 0 ADAEHO CSC[C@H](C)NC1CC[NH2+]CC1 127392912 573839699 /nfs/dbraw/zinc/83/96/99/573839699.db2.gz KPBAGQUSDOFWAR-QMMMGPOBSA-N 1 3 188.340 1.080 10 0 ADAEHO C[C@@H]1CCC[C@@](C[NH3+])(CN(C)C)C1 84346137 573842877 /nfs/dbraw/zinc/84/28/77/573842877.db2.gz ZLRGFMTTXIRPHQ-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCC[C@@](CN)(C[NH+](C)C)C1 84346137 573842883 /nfs/dbraw/zinc/84/28/83/573842883.db2.gz ZLRGFMTTXIRPHQ-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](N)CC(C)(C)[NH2+]1 238158715 573843145 /nfs/dbraw/zinc/84/31/45/573843145.db2.gz BYVWIBFQMFRSRL-NXEZZACHSA-N 1 3 184.327 1.890 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H]([NH3+])CC(C)(C)N1 238158715 573843148 /nfs/dbraw/zinc/84/31/48/573843148.db2.gz BYVWIBFQMFRSRL-NXEZZACHSA-N 1 3 184.327 1.890 10 0 ADAEHO C[C@@H]1CCC[C@](C[NH3+])(CN(C)C)C1 84346145 573843311 /nfs/dbraw/zinc/84/33/11/573843311.db2.gz ZLRGFMTTXIRPHQ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCC[C@](CN)(C[NH+](C)C)C1 84346145 573843316 /nfs/dbraw/zinc/84/33/16/573843316.db2.gz ZLRGFMTTXIRPHQ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCC[C@@H]([C@H](N)C[NH3+])C1 84342081 573843354 /nfs/dbraw/zinc/84/33/54/573843354.db2.gz DTKFUWWXOHNRFT-IWSPIJDZSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@]1(CN[C@H]2CC[C@H]([NH3+])C2)CCCO1 87234363 573843687 /nfs/dbraw/zinc/84/36/87/573843687.db2.gz FKRUMSTVQRSNKF-GARJFASQSA-N 1 3 198.310 1.025 10 0 ADAEHO CN(CCCC[NH3+])Cc1ccc[nH]1 258968336 573843739 /nfs/dbraw/zinc/84/37/39/573843739.db2.gz SZVYUIAXDHZHRZ-UHFFFAOYSA-N 1 3 181.283 1.185 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+]1CCC(C)(C)C1 87252210 573844792 /nfs/dbraw/zinc/84/47/92/573844792.db2.gz VZWOGRNQEMARFU-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+]1CCC(C)(C)C1 87252210 573844796 /nfs/dbraw/zinc/84/47/96/573844796.db2.gz VZWOGRNQEMARFU-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CCCC[NH2+]C[C@H](C)CN 147598018 573844933 /nfs/dbraw/zinc/84/49/33/573844933.db2.gz PCGQHLVJIQNWIU-LLVKDONJSA-N 1 3 186.343 1.997 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCC(C)(C)C1 87232812 573845055 /nfs/dbraw/zinc/84/50/55/573845055.db2.gz XHHCZLFAHIPRTC-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCC(C)(C)C1 87232812 573845060 /nfs/dbraw/zinc/84/50/60/573845060.db2.gz XHHCZLFAHIPRTC-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@@]1([C@@H]2CCN(C)C2)CCC[NH2+]1 258158825 573845078 /nfs/dbraw/zinc/84/50/78/573845078.db2.gz KWCIRWPNIBWARS-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CCC[C@H](N)C2)C1 87252058 573845315 /nfs/dbraw/zinc/84/53/15/573845315.db2.gz WCNOVVPTBLTULI-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CCC[C@H](N)C2)C1 87252058 573845335 /nfs/dbraw/zinc/84/53/35/573845335.db2.gz WCNOVVPTBLTULI-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@@H+]2CCC(C)(C)C2)C1 87252272 573848620 /nfs/dbraw/zinc/84/86/20/573848620.db2.gz BQXRTSBXJMFIDJ-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[C@@H]([N@H+]2CCC(C)(C)C2)C1 87252272 573848628 /nfs/dbraw/zinc/84/86/28/573848628.db2.gz BQXRTSBXJMFIDJ-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N2CCC(C)(C)C2)C1 87252272 573848634 /nfs/dbraw/zinc/84/86/34/573848634.db2.gz BQXRTSBXJMFIDJ-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[N@@H+]1CCC[C@@H](CN)[C@@H]1C 238150500 573848646 /nfs/dbraw/zinc/84/86/46/573848646.db2.gz AQPVQIFVNBDMFM-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1CCC[C@@H](CN)[C@@H]1C 238150500 573848650 /nfs/dbraw/zinc/84/86/50/573848650.db2.gz AQPVQIFVNBDMFM-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 87252326 573848063 /nfs/dbraw/zinc/84/80/63/573848063.db2.gz JGZXNEQAYQTGIH-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CC[C@H](N)C2)C1 87252326 573848079 /nfs/dbraw/zinc/84/80/79/573848079.db2.gz JGZXNEQAYQTGIH-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@H](CC)CCN 233279404 573848118 /nfs/dbraw/zinc/84/81/18/573848118.db2.gz ITNNMBIWGSPDEM-NXEZZACHSA-N 1 3 172.316 1.892 10 0 ADAEHO CC(C)(C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238151091 573848224 /nfs/dbraw/zinc/84/82/24/573848224.db2.gz WAYJMXMQAZTXCB-JGPRNRPPSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238151091 573848231 /nfs/dbraw/zinc/84/82/31/573848231.db2.gz WAYJMXMQAZTXCB-JGPRNRPPSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)(C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238151066 573848559 /nfs/dbraw/zinc/84/85/59/573848559.db2.gz WAYJMXMQAZTXCB-RTCCRHLQSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+]1CCC(C)(C)C1 87252209 573848306 /nfs/dbraw/zinc/84/83/06/573848306.db2.gz VZWOGRNQEMARFU-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+]1CCC(C)(C)C1 87252209 573848310 /nfs/dbraw/zinc/84/83/10/573848310.db2.gz VZWOGRNQEMARFU-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CSC[C@@H]([NH3+])C1CCN(C)CC1 258158174 573848331 /nfs/dbraw/zinc/84/83/31/573848331.db2.gz NHTKOQCKWYHKEK-SECBINFHSA-N 1 3 188.340 1.019 10 0 ADAEHO CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238151066 573848566 /nfs/dbraw/zinc/84/85/66/573848566.db2.gz WAYJMXMQAZTXCB-RTCCRHLQSA-N 1 3 196.338 1.987 10 0 ADAEHO CN[C@@H](C[C@@H](C)[NH3+])c1cccs1 259574966 573848365 /nfs/dbraw/zinc/84/83/65/573848365.db2.gz VVPWJKGBCZNPSA-SFYZADRCSA-N 1 3 184.308 1.746 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+]2CCC[C@@H]12 258517101 573848493 /nfs/dbraw/zinc/84/84/93/573848493.db2.gz LXSYOLHNJLDWEU-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@@H]1CCCC[N@H+]2CCC[C@@H]12 258517101 573848497 /nfs/dbraw/zinc/84/84/97/573848497.db2.gz LXSYOLHNJLDWEU-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@@H](CNC)C[N@H+](C)CC1CCC1 258971075 573848857 /nfs/dbraw/zinc/84/88/57/573848857.db2.gz LGTTWPRAXLKAHI-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](CNC)C[N@@H+](C)CC1CCC1 258971075 573848860 /nfs/dbraw/zinc/84/88/60/573848860.db2.gz LGTTWPRAXLKAHI-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C[NH2+]C)CN(C)CC1CCC1 258971075 573848866 /nfs/dbraw/zinc/84/88/66/573848866.db2.gz LGTTWPRAXLKAHI-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 84331935 573859454 /nfs/dbraw/zinc/85/94/54/573859454.db2.gz GLVXZFRRRLCWLA-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@H]1C[C@@H](N)CC(C)(C)[NH2+]1 238151269 573849746 /nfs/dbraw/zinc/84/97/46/573849746.db2.gz BYVWIBFQMFRSRL-ZJUUUORDSA-N 1 3 184.327 1.890 10 0 ADAEHO CC(C)C[C@H]1C[C@@H]([NH3+])CC(C)(C)N1 238151269 573849755 /nfs/dbraw/zinc/84/97/55/573849755.db2.gz BYVWIBFQMFRSRL-ZJUUUORDSA-N 1 3 184.327 1.890 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@H](C)C2CNC2)C1 686255461 573849777 /nfs/dbraw/zinc/84/97/77/573849777.db2.gz KQYAOXGLGLVRNJ-OUAUKWLOSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)C2CNC2)C1 686255461 573849781 /nfs/dbraw/zinc/84/97/81/573849781.db2.gz KQYAOXGLGLVRNJ-OUAUKWLOSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)=CCN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238151893 573849802 /nfs/dbraw/zinc/84/98/02/573849802.db2.gz MHZOZJIDFODRME-CNDDSTCGSA-N 1 3 194.322 1.907 10 0 ADAEHO CC(C)([NH3+])CCNCc1ccc[nH]1 258970276 573849861 /nfs/dbraw/zinc/84/98/61/573849861.db2.gz TWRBTPNYAWXIEZ-UHFFFAOYSA-N 1 3 181.283 1.232 10 0 ADAEHO CC(C)([NH3+])c1ccc(CN)c(F)c1 238152261 573850054 /nfs/dbraw/zinc/85/00/54/573850054.db2.gz HTTDEYFHCNRWAP-UHFFFAOYSA-N 1 3 182.242 1.478 10 0 ADAEHO CC[C@H](CNC)C[N@H+](C)CC1CCC1 258971074 573850224 /nfs/dbraw/zinc/85/02/24/573850224.db2.gz LGTTWPRAXLKAHI-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](CNC)C[N@@H+](C)CC1CCC1 258971074 573850227 /nfs/dbraw/zinc/85/02/27/573850227.db2.gz LGTTWPRAXLKAHI-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C[NH2+]C)CN(C)CC1CCC1 258971074 573850230 /nfs/dbraw/zinc/85/02/30/573850230.db2.gz LGTTWPRAXLKAHI-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)=CCN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238151924 573850339 /nfs/dbraw/zinc/85/03/39/573850339.db2.gz MHZOZJIDFODRME-ZSBIGDGJSA-N 1 3 194.322 1.907 10 0 ADAEHO CC(C)C[C@H]1C[C@H](N)CC(C)(C)[NH2+]1 238151927 573851801 /nfs/dbraw/zinc/85/18/01/573851801.db2.gz BYVWIBFQMFRSRL-UWVGGRQHSA-N 1 3 184.327 1.890 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@@H](F)CN)C1 257889368 573851568 /nfs/dbraw/zinc/85/15/68/573851568.db2.gz NEJVFUNFCYVVAA-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@@H](F)CN)C1 257889368 573851573 /nfs/dbraw/zinc/85/15/73/573851573.db2.gz NEJVFUNFCYVVAA-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO CC1(C)CC[N@H+](C[C@H]2CCC[C@@H]2N)C1 87255140 573851612 /nfs/dbraw/zinc/85/16/12/573851612.db2.gz GUEXCTBRJBAYBV-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[N@@H+](C[C@H]2CCC[C@@H]2N)C1 87255140 573851620 /nfs/dbraw/zinc/85/16/20/573851620.db2.gz GUEXCTBRJBAYBV-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[N@@H+]1CCC[C@H](CN)[C@@H]1C 238150653 573851677 /nfs/dbraw/zinc/85/16/77/573851677.db2.gz AQPVQIFVNBDMFM-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CCCNCC2)C1 87259114 573851678 /nfs/dbraw/zinc/85/16/78/573851678.db2.gz AEKNXXSIIHENIV-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CCCNCC2)C1 87259114 573851683 /nfs/dbraw/zinc/85/16/83/573851683.db2.gz AEKNXXSIIHENIV-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@H+]1CCC[C@H](CN)[C@@H]1C 238150653 573851685 /nfs/dbraw/zinc/85/16/85/573851685.db2.gz AQPVQIFVNBDMFM-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+]1CCC(C)(C)C1 87259008 573851737 /nfs/dbraw/zinc/85/17/37/573851737.db2.gz FGQGIJVGXGISMB-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+]1CCC(C)(C)C1 87259008 573851742 /nfs/dbraw/zinc/85/17/42/573851742.db2.gz FGQGIJVGXGISMB-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@H]1C[C@H]([NH3+])CC(C)(C)N1 238151927 573851813 /nfs/dbraw/zinc/85/18/13/573851813.db2.gz BYVWIBFQMFRSRL-UWVGGRQHSA-N 1 3 184.327 1.890 10 0 ADAEHO C[C@@H](C1CNC1)[NH+]1C[C@H](C)C[C@@H](C)C1 686255460 573851852 /nfs/dbraw/zinc/85/18/52/573851852.db2.gz KQYAOXGLGLVRNJ-MXWKQRLJSA-N 1 3 196.338 1.572 10 0 ADAEHO CC1(C)CCN(CCC(N)=[NH2+])C1 87254793 573852092 /nfs/dbraw/zinc/85/20/92/573852092.db2.gz KKDQHBJLIVDFGP-UHFFFAOYSA-N 1 3 169.272 1.044 10 0 ADAEHO CCN1CC[C@@H]([C@]2(C)CCC[NH2+]2)C1 258161301 573852237 /nfs/dbraw/zinc/85/22/37/573852237.db2.gz KYAOBJDYSODJMR-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)CC[N@@H+]1CC[C@@H](CN)[C@@H]1C 259212466 573852434 /nfs/dbraw/zinc/85/24/34/573852434.db2.gz CNXPRAUFNJZOBV-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[N@H+]1CC[C@@H](CN)[C@@H]1C 259212466 573852439 /nfs/dbraw/zinc/85/24/39/573852439.db2.gz CNXPRAUFNJZOBV-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN1CCC(C)(C)C1 87254990 573852606 /nfs/dbraw/zinc/85/26/06/573852606.db2.gz JRWMPJYUMHBSML-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCC(C)(C)C1 87255046 573852651 /nfs/dbraw/zinc/85/26/51/573852651.db2.gz HOZAOYUZAOEHCU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@H](F)CN)C1 257889369 573853796 /nfs/dbraw/zinc/85/37/96/573853796.db2.gz NEJVFUNFCYVVAA-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCC(C)(C)C1 87254846 573853797 /nfs/dbraw/zinc/85/37/97/573853797.db2.gz RXCYUHZSBNVPHW-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87259005 573853454 /nfs/dbraw/zinc/85/34/54/573853454.db2.gz FGQGIJVGXGISMB-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCC(C)(C)C1 87259005 573853462 /nfs/dbraw/zinc/85/34/62/573853462.db2.gz FGQGIJVGXGISMB-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@](C)([NH3+])CN1CCC(C)(C)C1 87255271 573853751 /nfs/dbraw/zinc/85/37/51/573853751.db2.gz FNVDWACDZWVUBQ-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC1(C)CCN(CC[C@H]2CCC[NH2+]2)C1 87255099 573853768 /nfs/dbraw/zinc/85/37/68/573853768.db2.gz YDZNINKZPNDRQM-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@H](F)CN)C1 257889369 573853789 /nfs/dbraw/zinc/85/37/89/573853789.db2.gz NEJVFUNFCYVVAA-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCC(C)(C)C1 87254846 573853803 /nfs/dbraw/zinc/85/38/03/573853803.db2.gz RXCYUHZSBNVPHW-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO Cc1cccc([C@@H]([NH3+])C2(CN)CC2)c1 259211872 573853849 /nfs/dbraw/zinc/85/38/49/573853849.db2.gz DXBLAHITFNHEAZ-LLVKDONJSA-N 1 3 190.290 1.734 10 0 ADAEHO CC(C)CC[N@@H+]1CC[C@@H](CN)[C@H]1C 259212461 573854000 /nfs/dbraw/zinc/85/40/00/573854000.db2.gz CNXPRAUFNJZOBV-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[N@H+]1CC[C@@H](CN)[C@H]1C 259212461 573854008 /nfs/dbraw/zinc/85/40/08/573854008.db2.gz CNXPRAUFNJZOBV-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CCN1CC[C@H]([C@]2(C)CCC[NH2+]2)C1 258161302 573854035 /nfs/dbraw/zinc/85/40/35/573854035.db2.gz KYAOBJDYSODJMR-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]CCCN[C@@H](C)Cc1ccco1 43618955 573855300 /nfs/dbraw/zinc/85/53/00/573855300.db2.gz GIVLHKXWGKQJHK-JTQLQIEISA-N 1 3 196.294 1.410 10 0 ADAEHO CC(C)CC[N@@H+]1CC[C@H](CN)[C@@H]1C 259212471 573855429 /nfs/dbraw/zinc/85/54/29/573855429.db2.gz CNXPRAUFNJZOBV-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[N@H+]1CC[C@H](CN)[C@@H]1C 259212471 573855432 /nfs/dbraw/zinc/85/54/32/573855432.db2.gz CNXPRAUFNJZOBV-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCC(C)(C)C1 87254842 573855448 /nfs/dbraw/zinc/85/54/48/573855448.db2.gz RXCYUHZSBNVPHW-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCC(C)(C)C1 87254842 573855451 /nfs/dbraw/zinc/85/54/51/573855451.db2.gz RXCYUHZSBNVPHW-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]CCCN[C@H](C)Cc1ccco1 43618956 573855564 /nfs/dbraw/zinc/85/55/64/573855564.db2.gz GIVLHKXWGKQJHK-SNVBAGLBSA-N 1 3 196.294 1.410 10 0 ADAEHO CC(C)CC[N@H+]1CC[C@H](CN)[C@H]1C 259212455 573855623 /nfs/dbraw/zinc/85/56/23/573855623.db2.gz CNXPRAUFNJZOBV-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CC[N@@H+]1CC[C@H](CN)[C@H]1C 259212455 573855615 /nfs/dbraw/zinc/85/56/15/573855615.db2.gz CNXPRAUFNJZOBV-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CCC(C)(C)C1 87254844 573855626 /nfs/dbraw/zinc/85/56/26/573855626.db2.gz RXCYUHZSBNVPHW-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CCC(C)(C)C1 87254844 573855622 /nfs/dbraw/zinc/85/56/22/573855622.db2.gz RXCYUHZSBNVPHW-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)C[C@H]1[NH2+]CCC[C@H]1CN 238154542 573855723 /nfs/dbraw/zinc/85/57/23/573855723.db2.gz GTAUYEOUMTYAHF-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@](C)([NH3+])CN1CCC(C)(C)C1 87255269 573855974 /nfs/dbraw/zinc/85/59/74/573855974.db2.gz FNVDWACDZWVUBQ-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCC1=CCCN(C)C1 258157534 573856002 /nfs/dbraw/zinc/85/60/02/573856002.db2.gz RHZXRNAEJZXJRA-SECBINFHSA-N 1 3 168.284 1.376 10 0 ADAEHO C[C@H]([NH3+])CCC1=CCCN(C)C1 258157536 573856127 /nfs/dbraw/zinc/85/61/27/573856127.db2.gz RHZXRNAEJZXJRA-VIFPVBQESA-N 1 3 168.284 1.376 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCC(C)(C)C1 87255043 573856133 /nfs/dbraw/zinc/85/61/33/573856133.db2.gz HOZAOYUZAOEHCU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)(C)[NH2+]C[C@@]1(F)CCNC1 257890274 573857930 /nfs/dbraw/zinc/85/79/30/573857930.db2.gz NFXPEAAULQZZPR-SECBINFHSA-N 1 3 174.263 1.076 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H]1C(C)C 84329194 573859398 /nfs/dbraw/zinc/85/93/98/573859398.db2.gz DVJWVCVXTRMFAU-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H]1[C@@H]([NH3+])CCN1C(C)C 84329191 573859812 /nfs/dbraw/zinc/85/98/12/573859812.db2.gz LNUGLJSSOUEVSV-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO CCC[C@H]([NH3+])[C@H]1CCN(C)C1 84329093 573859948 /nfs/dbraw/zinc/85/99/48/573859948.db2.gz WDLQDJHKYYYNNM-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H](CNC)C[N@H+](C)C(C)(C)C 258973152 573860432 /nfs/dbraw/zinc/86/04/32/573860432.db2.gz LODFHIZVEHPAHM-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](CNC)C[N@@H+](C)C(C)(C)C 258973152 573860438 /nfs/dbraw/zinc/86/04/38/573860438.db2.gz LODFHIZVEHPAHM-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@]1([NH3+])CCCN(C)CC1 84331913 573860706 /nfs/dbraw/zinc/86/07/06/573860706.db2.gz ACXSUXIXLBAQNS-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H]1CCN(C)C1 84329095 573860742 /nfs/dbraw/zinc/86/07/42/573860742.db2.gz WDLQDJHKYYYNNM-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(CC)CC 43809433 573862425 /nfs/dbraw/zinc/86/24/25/573862425.db2.gz JUEOXNHJONBKNT-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H](C)[NH2+]C 259213999 573862654 /nfs/dbraw/zinc/86/26/54/573862654.db2.gz LOGBEYKDERLTGN-BDAKNGLRSA-N 1 3 158.289 1.086 10 0 ADAEHO [NH3+]C1(C2CC2)CN(c2ccncc2)C1 84376037 573862657 /nfs/dbraw/zinc/86/26/57/573862657.db2.gz QALNSXBFQRNILB-UHFFFAOYSA-N 1 3 189.262 1.009 10 0 ADAEHO CN[C@H](C)[C@@H](C[NH2+]C)C(C)C 259213999 573862659 /nfs/dbraw/zinc/86/26/59/573862659.db2.gz LOGBEYKDERLTGN-BDAKNGLRSA-N 1 3 158.289 1.086 10 0 ADAEHO Cc1ccc([C@H]2CNC[C@@H]([NH3+])C2)cc1 238547288 573862718 /nfs/dbraw/zinc/86/27/18/573862718.db2.gz NYHITPPRCNISAQ-NEPJUHHUSA-N 1 3 190.290 1.399 10 0 ADAEHO CCC[C@@H]([NH2+]C)C(C)(C)CN 259576608 573863357 /nfs/dbraw/zinc/86/33/57/573863357.db2.gz VWLXLZSYULPKHB-MRVPVSSYSA-N 1 3 158.289 1.359 10 0 ADAEHO CCN(CC)CC[C@H](C)[NH2+]C 43809117 573863772 /nfs/dbraw/zinc/86/37/72/573863772.db2.gz ZPLCFZQPOBHKCS-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CC(C)C1([NH3+])CN(c2ccncc2)C1 84375978 573863870 /nfs/dbraw/zinc/86/38/70/573863870.db2.gz RGIGKDZGDJHMJN-UHFFFAOYSA-N 1 3 191.278 1.255 10 0 ADAEHO CN1CCC[C@]([NH3+])(C2CCCC2)CC1 84360457 573863925 /nfs/dbraw/zinc/86/39/25/573863925.db2.gz URGJFOYCPKEAMW-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)C[C@@H]1NCCc2[nH+]c(N)[nH]c21 238161649 573867563 /nfs/dbraw/zinc/86/75/63/573867563.db2.gz GKJUDYAKERWHFN-QMMMGPOBSA-N 1 3 194.282 1.225 10 0 ADAEHO C[C@H](CCC[NH3+])CN1CC[C@H](F)C1 689860965 573868486 /nfs/dbraw/zinc/86/84/86/573868486.db2.gz PULNKZHRYBERCF-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)C[C@@H]1[NH2+]CCC[C@@H]1CN 238161377 573868501 /nfs/dbraw/zinc/86/85/01/573868501.db2.gz GTAUYEOUMTYAHF-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CC[C@@H](C)NC 43887386 573868900 /nfs/dbraw/zinc/86/89/00/573868900.db2.gz VLVZSRNESCVLQS-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H]1CCC[N@H+]1CC[C@@H](C)NC 43904364 573869830 /nfs/dbraw/zinc/86/98/30/573869830.db2.gz BBYIFSSCHGDQPU-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H](CCC[NH3+])CN1CC[C@H](F)C1 689860957 573868969 /nfs/dbraw/zinc/86/89/69/573868969.db2.gz PULNKZHRYBERCF-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H](CCC[NH3+])CN1CC[C@@H](F)C1 689860960 573868984 /nfs/dbraw/zinc/86/89/84/573868984.db2.gz PULNKZHRYBERCF-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO CN[C@@H](C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C 43908029 573867667 /nfs/dbraw/zinc/86/76/67/573867667.db2.gz ACQKWNQGXUYMRL-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@@H](C[N@H+]1CC[C@@H](C)C1)C(C)(C)C 43908029 573867677 /nfs/dbraw/zinc/86/76/77/573867677.db2.gz ACQKWNQGXUYMRL-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[C@@]1([NH3+])CCCN(C)CC1 84345414 573867713 /nfs/dbraw/zinc/86/77/13/573867713.db2.gz BCRRMRAJJHQDIS-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)C[C@@H]1[NH2+]CCC[C@H]1CN 238161403 573867721 /nfs/dbraw/zinc/86/77/21/573867721.db2.gz GTAUYEOUMTYAHF-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO CN1C[C@@H](C(C)(C)C)C[C@@H]1C[NH3+] 258440947 573867872 /nfs/dbraw/zinc/86/78/72/573867872.db2.gz FBICTGKAIZVMLG-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@]1([NH3+])CCCN(C)CC1 84345410 573867923 /nfs/dbraw/zinc/86/79/23/573867923.db2.gz BCRRMRAJJHQDIS-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)N(C)CC[C@@H](C)[NH2+]C 43887388 573868003 /nfs/dbraw/zinc/86/80/03/573868003.db2.gz VLVZSRNESCVLQS-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H](C)[N@H+](C)CC[C@@H](C)NC 43887388 573868008 /nfs/dbraw/zinc/86/80/08/573868008.db2.gz VLVZSRNESCVLQS-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CC[C@@H](C)NC 43887388 573868014 /nfs/dbraw/zinc/86/80/14/573868014.db2.gz VLVZSRNESCVLQS-ZJUUUORDSA-N 1 3 172.316 1.715 10 0 ADAEHO C[C@H](CCC[NH3+])CN1CC[C@@H](F)C1 689860953 573868215 /nfs/dbraw/zinc/86/82/15/573868215.db2.gz PULNKZHRYBERCF-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCCN(C)CC1 84345431 573868271 /nfs/dbraw/zinc/86/82/71/573868271.db2.gz COCDNVBNCNLXOK-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)[C@]1([NH3+])CCCN(C)CC1 84345418 573868711 /nfs/dbraw/zinc/86/87/11/573868711.db2.gz COCDNVBNCNLXOK-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)N(C)CC[C@@H](C)[NH2+]C 43887386 573868895 /nfs/dbraw/zinc/86/88/95/573868895.db2.gz VLVZSRNESCVLQS-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CC[C@@H](C)NC 43887386 573868904 /nfs/dbraw/zinc/86/89/04/573868904.db2.gz VLVZSRNESCVLQS-NXEZZACHSA-N 1 3 172.316 1.715 10 0 ADAEHO CN1CCC([C@H]2[NH2+]C(C)(C)CO2)CC1 258518090 573869208 /nfs/dbraw/zinc/86/92/08/573869208.db2.gz MYSAMVTYHAQADI-JTQLQIEISA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)CCC(C)C 43914686 573869227 /nfs/dbraw/zinc/86/92/27/573869227.db2.gz ILECYMSPMISQHD-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CC[C@@H](C)C1 43908420 573869315 /nfs/dbraw/zinc/86/93/15/573869315.db2.gz GRZDRGKEIMUMLJ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CC[C@@H](C)C1 43908420 573869319 /nfs/dbraw/zinc/86/93/19/573869319.db2.gz GRZDRGKEIMUMLJ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@H](C)CCN1CC[C@@H](C)C1 43908420 573869324 /nfs/dbraw/zinc/86/93/24/573869324.db2.gz GRZDRGKEIMUMLJ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCCCN(C)CC[C@H](C)[NH2+]C 43816849 573869336 /nfs/dbraw/zinc/86/93/36/573869336.db2.gz MXUHIKMQBLCCPL-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO C[NH2+]CCc1cccc2c1CNC2 258166876 573869420 /nfs/dbraw/zinc/86/94/20/573869420.db2.gz NZPKJHNUWRDEDN-UHFFFAOYSA-N 1 3 176.263 1.052 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1CC[C@@H](C)NC 43904364 573869815 /nfs/dbraw/zinc/86/98/15/573869815.db2.gz BBYIFSSCHGDQPU-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](NC)[C@H](C)[N@@H+]1CCC[C@@H]1C 43902499 573869950 /nfs/dbraw/zinc/86/99/50/573869950.db2.gz YJYLNULENJHDKY-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H](NC)[C@H](C)[N@H+]1CCC[C@@H]1C 43902499 573869955 /nfs/dbraw/zinc/86/99/55/573869955.db2.gz YJYLNULENJHDKY-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H](C)c1ccc(F)c(CN)c1 257889406 573870070 /nfs/dbraw/zinc/87/00/70/573870070.db2.gz NFPRQFYKXPVTBS-ZETCQYMHSA-N 1 3 182.242 1.565 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1C2(CC2)C12CC2 716314268 573870170 /nfs/dbraw/zinc/87/01/70/573870170.db2.gz ABKJBECGIDWFDT-SECBINFHSA-N 1 3 194.322 1.504 10 0 ADAEHO CCCCN(C)CC[C@@H](C)[NH2+]C 43816847 573870498 /nfs/dbraw/zinc/87/04/98/573870498.db2.gz MXUHIKMQBLCCPL-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CC[C@@H](N)[C@@H]([NH+]1CCC1)C(C)(C)C 393567426 573870510 /nfs/dbraw/zinc/87/05/10/573870510.db2.gz OGXQVMYMEZXUMK-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCN(CC[C@H](C)[NH2+]C)C1CC1 43885504 573870652 /nfs/dbraw/zinc/87/06/52/573870652.db2.gz FXGUKIJOVJLDBW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)CC[C@@H](C)[NH2+]C 43885994 573870812 /nfs/dbraw/zinc/87/08/12/573870812.db2.gz DANPZOHIFFLMKI-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CC[NH2+][C@H](C)CCN(C)CC1CC1 43906236 573871943 /nfs/dbraw/zinc/87/19/43/573871943.db2.gz LHOWQCZZJISRPF-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](N)[C@H]([NH+]1CCC1)C(C)(C)C 393567430 573873125 /nfs/dbraw/zinc/87/31/25/573873125.db2.gz OGXQVMYMEZXUMK-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCN(C)CC[C@@H](C)[NH2+]CC 43886206 573873750 /nfs/dbraw/zinc/87/37/50/573873750.db2.gz WZFNFRMJNVCARQ-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CC(C)[N@@H+]1CC=C(CNC2CCC2)C1 257895507 573877132 /nfs/dbraw/zinc/87/71/32/573877132.db2.gz ABBGQHYCQPQKDR-UHFFFAOYSA-N 1 3 194.322 1.779 10 0 ADAEHO CC(C)[N@H+]1CC=C(CNC2CCC2)C1 257895507 573877138 /nfs/dbraw/zinc/87/71/38/573877138.db2.gz ABBGQHYCQPQKDR-UHFFFAOYSA-N 1 3 194.322 1.779 10 0 ADAEHO CN[C@H](CC(C)C)[C@@H]1CCCC[NH2+]1 259578916 573876646 /nfs/dbraw/zinc/87/66/46/573876646.db2.gz XDHUPERUZDUVFN-WDEREUQCSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](C1CNC1)[NH+]1CCCCCCC1 686255738 573876693 /nfs/dbraw/zinc/87/66/93/573876693.db2.gz RYLJQDBONNAURM-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCC(C)(C)C 258983180 573876702 /nfs/dbraw/zinc/87/67/02/573876702.db2.gz MHVILCRHDNIPRF-JTQLQIEISA-N 1 3 186.343 1.997 10 0 ADAEHO CC(C)[N@@H+]1CCC(C)(C)[C@@H](CN)C1 259218257 573876951 /nfs/dbraw/zinc/87/69/51/573876951.db2.gz KEDIFLNBNGIFED-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@H+]1CCC(C)(C)[C@@H](CN)C1 259218257 573876956 /nfs/dbraw/zinc/87/69/56/573876956.db2.gz KEDIFLNBNGIFED-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO [NH3+]CCC12CCCCN1CCCC2 238553381 573879046 /nfs/dbraw/zinc/87/90/46/573879046.db2.gz QSOJYFMWUXBKLT-UHFFFAOYSA-N 1 3 182.311 1.744 10 0 ADAEHO [NH3+]C1CCC(NCc2cnco2)CC1 84414910 573878782 /nfs/dbraw/zinc/87/87/82/573878782.db2.gz OGACKINUAPQDIU-UHFFFAOYSA-N 1 3 195.266 1.034 10 0 ADAEHO CN[C@@H](CC(C)C)[C@@H]1CCCC[NH2+]1 259578915 573878850 /nfs/dbraw/zinc/87/88/50/573878850.db2.gz XDHUPERUZDUVFN-QWRGUYRKSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[NH2+]C[C@H]1CCN(C(C)C)C1 40621938 573881703 /nfs/dbraw/zinc/88/17/03/573881703.db2.gz VFPSQTULXPQQHN-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC[C@@H]([NH2+]C)C1CCCCC1 259217224 573881228 /nfs/dbraw/zinc/88/12/28/573881228.db2.gz FBHWEVZBWJMPIW-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO Cc1ccc([C@@H](N)C2CC[NH2+]CC2)o1 259579352 573881263 /nfs/dbraw/zinc/88/12/63/573881263.db2.gz ZDCYDBYLLPTZGR-NSHDSACASA-N 1 3 194.278 1.587 10 0 ADAEHO C[C@H](CN)[C@@H](C)[NH+]1CCCCC1 80089122 573882011 /nfs/dbraw/zinc/88/20/11/573882011.db2.gz AVDMXECPHHHJNQ-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO Cc1ccc([C@H](N)C2CC[NH2+]CC2)o1 259579350 573882911 /nfs/dbraw/zinc/88/29/11/573882911.db2.gz ZDCYDBYLLPTZGR-LLVKDONJSA-N 1 3 194.278 1.587 10 0 ADAEHO C[C@H]1[C@H](CN)CC[N@@H+]1C(C)(C)C 259219588 573882289 /nfs/dbraw/zinc/88/22/89/573882289.db2.gz CXBMZYKZKKIGAB-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1[C@H](CN)CC[N@H+]1C(C)(C)C 259219588 573882295 /nfs/dbraw/zinc/88/22/95/573882295.db2.gz CXBMZYKZKKIGAB-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CC[NH3+])c1ncc2ccccn12 259579079 573882659 /nfs/dbraw/zinc/88/26/59/573882659.db2.gz UFLZKLFZJFMXRX-SECBINFHSA-N 1 3 189.262 1.787 10 0 ADAEHO CC[C@H](C)N1CCC[C@H]([NH3+])C1(C)C 259219818 573886660 /nfs/dbraw/zinc/88/66/60/573886660.db2.gz CYAGBIOZIDZDJE-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H]1[C@@H](CN)CC[N@@H+]1C(C)(C)C 259219592 573887979 /nfs/dbraw/zinc/88/79/79/573887979.db2.gz CXBMZYKZKKIGAB-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N1CCC[C@@H]([NH3+])C1(C)C 259219821 573887072 /nfs/dbraw/zinc/88/70/72/573887072.db2.gz CYAGBIOZIDZDJE-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@](C)(N)C[N@H+](C)C1CCC1 127522610 573887847 /nfs/dbraw/zinc/88/78/47/573887847.db2.gz NKDAWWLKHHPZHV-NSHDSACASA-N 1 3 184.327 1.988 10 0 ADAEHO CN[C@@H](C1CCC1)C(C)(C)[NH2+]C 259577124 573887853 /nfs/dbraw/zinc/88/78/53/573887853.db2.gz WZINHMJBNTWRJR-VIFPVBQESA-N 1 3 170.300 1.373 10 0 ADAEHO CCC[C@](C)(N)C[N@@H+](C)C1CCC1 127522610 573887857 /nfs/dbraw/zinc/88/78/57/573887857.db2.gz NKDAWWLKHHPZHV-NSHDSACASA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H]1[C@H](CN)CC[N@@H+]1C(C)(C)C 259219577 573887927 /nfs/dbraw/zinc/88/79/27/573887927.db2.gz CXBMZYKZKKIGAB-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1[C@H](CN)CC[N@H+]1C(C)(C)C 259219577 573887930 /nfs/dbraw/zinc/88/79/30/573887930.db2.gz CXBMZYKZKKIGAB-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1[C@@H](CN)CC[N@H+]1C(C)(C)C 259219592 573887983 /nfs/dbraw/zinc/88/79/83/573887983.db2.gz CXBMZYKZKKIGAB-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CN(CC[C@H]1CCC[NH2+]1)C1CCC1 127513978 573888061 /nfs/dbraw/zinc/88/80/61/573888061.db2.gz JGMJUVKYKMDTFI-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)C1CCC1 127516007 573888088 /nfs/dbraw/zinc/88/80/88/573888088.db2.gz KZDRFYLLDLZYDN-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)C1CCC1 127516007 573888092 /nfs/dbraw/zinc/88/80/92/573888092.db2.gz KZDRFYLLDLZYDN-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C[NH3+])CN(C)C1CCC1 127516007 573888097 /nfs/dbraw/zinc/88/80/97/573888097.db2.gz KZDRFYLLDLZYDN-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@H+](C[C@](C)(N)C1CC1)C1CCC1 127506328 573888357 /nfs/dbraw/zinc/88/83/57/573888357.db2.gz HCZPIHZNHVYGEQ-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C[C@](C)(N)C1CC1)C1CCC1 127506328 573888359 /nfs/dbraw/zinc/88/83/59/573888359.db2.gz HCZPIHZNHVYGEQ-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO CN(CC[C@@H]1CCC[NH2+]1)C1CCC1 127513747 573888378 /nfs/dbraw/zinc/88/83/78/573888378.db2.gz JGMJUVKYKMDTFI-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CNCC1([C@H]([NH2+]C)C(C)C)CCC1 259577146 573888708 /nfs/dbraw/zinc/88/87/08/573888708.db2.gz WZNIAPJVMCTAHS-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO C[NH2+][C@H](CC(C)C)[C@@H](CN)C(C)C 259224832 573894741 /nfs/dbraw/zinc/89/47/41/573894741.db2.gz MHHXGNMXBXNKDE-WDEREUQCSA-N 1 3 186.343 1.851 10 0 ADAEHO C[C@H]([N@@H+]1CCC[C@H](CN)C1)C1(C)CC1 87364832 573894830 /nfs/dbraw/zinc/89/48/30/573894830.db2.gz FMVWRKUTAKEYCN-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(CC[C@H]([NH3+])C1CC1)C1CCC1 127518882 573891686 /nfs/dbraw/zinc/89/16/86/573891686.db2.gz LQOGYTUVARSUFX-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]([N@@H+]1CCC[C@H](CN)C1)C1(C)CC1 87364835 573891719 /nfs/dbraw/zinc/89/17/19/573891719.db2.gz FMVWRKUTAKEYCN-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]([N@H+]1CCC[C@H](CN)C1)C1(C)CC1 87364835 573891724 /nfs/dbraw/zinc/89/17/24/573891724.db2.gz FMVWRKUTAKEYCN-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[C@@H](CN)C[N@H+](C)C1CCC1 127515755 573891854 /nfs/dbraw/zinc/89/18/54/573891854.db2.gz KZDRFYLLDLZYDN-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](CN)C[N@@H+](C)C1CCC1 127515755 573891859 /nfs/dbraw/zinc/89/18/59/573891859.db2.gz KZDRFYLLDLZYDN-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C[NH3+])CN(C)C1CCC1 127515755 573891865 /nfs/dbraw/zinc/89/18/65/573891865.db2.gz KZDRFYLLDLZYDN-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([N@@H+]1CC[C@H](N)[C@H](C)C1)C1(C)CC1 87365104 573891913 /nfs/dbraw/zinc/89/19/13/573891913.db2.gz QJYHNOHZFHGOTG-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]([N@H+]1CC[C@H](N)[C@H](C)C1)C1(C)CC1 87365104 573891917 /nfs/dbraw/zinc/89/19/17/573891917.db2.gz QJYHNOHZFHGOTG-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N1CC[C@H]([NH3+])[C@H](C)C1)C1(C)CC1 87365104 573891922 /nfs/dbraw/zinc/89/19/22/573891922.db2.gz QJYHNOHZFHGOTG-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](C[NH3+])CCNCc1cncs1 131630346 573891968 /nfs/dbraw/zinc/89/19/68/573891968.db2.gz RJSCYUSFYRTTMP-MRVPVSSYSA-N 1 3 199.323 1.218 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H](N)CC1 76592039 573892010 /nfs/dbraw/zinc/89/20/10/573892010.db2.gz NPTFUEOXDCOHHR-SECBINFHSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H](N)CC1 76592039 573892014 /nfs/dbraw/zinc/89/20/14/573892014.db2.gz NPTFUEOXDCOHHR-SECBINFHSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)N1CCC[C@@H]([NH3+])CC1 76592039 573892018 /nfs/dbraw/zinc/89/20/18/573892018.db2.gz NPTFUEOXDCOHHR-SECBINFHSA-N 1 3 156.273 1.208 10 0 ADAEHO Cc1cc(C)c([C@H](N)CC[NH3+])cc1C 259221878 573892069 /nfs/dbraw/zinc/89/20/69/573892069.db2.gz GXTKKDMLLCWNRS-GFCCVEGCSA-N 1 3 192.306 1.960 10 0 ADAEHO C[C@H](CN)C[NH2+]CC1(C2CC2)CCC1 393653541 573892098 /nfs/dbraw/zinc/89/20/98/573892098.db2.gz RKRGGECFZOTVMU-SNVBAGLBSA-N 1 3 196.338 1.751 10 0 ADAEHO C[C@@H]([NH3+])CCCNCc1cncs1 131621120 573892627 /nfs/dbraw/zinc/89/26/27/573892627.db2.gz LATXJVGQBQKDDF-MRVPVSSYSA-N 1 3 199.323 1.360 10 0 ADAEHO CN1CCC[C@@]2(C1)[C@@H]([NH3+])C2(C)C 76597054 573892693 /nfs/dbraw/zinc/89/26/93/573892693.db2.gz ASCDELDXAMBNNC-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H](C[NH3+])CCNCc1cncs1 131630148 573892887 /nfs/dbraw/zinc/89/28/87/573892887.db2.gz RJSCYUSFYRTTMP-QMMMGPOBSA-N 1 3 199.323 1.218 10 0 ADAEHO CCCC[C@@H](N)C[N@H+](C)C1CCC1 127530255 573893944 /nfs/dbraw/zinc/89/39/44/573893944.db2.gz VYGBAHDNZGFGHL-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H](N)C[N@@H+](C)C1CCC1 127530255 573893946 /nfs/dbraw/zinc/89/39/46/573893946.db2.gz VYGBAHDNZGFGHL-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)[C@H](CN)C(C)C 259224825 573894916 /nfs/dbraw/zinc/89/49/16/573894916.db2.gz MHHXGNMXBXNKDE-MNOVXSKESA-N 1 3 186.343 1.851 10 0 ADAEHO C[C@@H](N1CCC([NH3+])CC1)C1(C)CC1 87364798 573894233 /nfs/dbraw/zinc/89/42/33/573894233.db2.gz HYIMVFKNQMWSNN-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]([NH+]1CCC(N)CC1)C1(C)CC1 87364798 573894238 /nfs/dbraw/zinc/89/42/38/573894238.db2.gz HYIMVFKNQMWSNN-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([N@@H+]1CC[C@H](CN)C1)C1(C)CC1 87364844 573894260 /nfs/dbraw/zinc/89/42/60/573894260.db2.gz HWGMETSXLYGSQM-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]([N@H+]1CC[C@H](CN)C1)C1(C)CC1 87364844 573894264 /nfs/dbraw/zinc/89/42/64/573894264.db2.gz HWGMETSXLYGSQM-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO Cc1ccc(C(CN)C[NH3+])s1 258174225 573894396 /nfs/dbraw/zinc/89/43/96/573894396.db2.gz OEMBRHMPHHQIAO-UHFFFAOYSA-N 1 3 170.281 1.058 10 0 ADAEHO C[C@@H](CN)[C@H]([NH3+])C1CCCC1 259227624 573894436 /nfs/dbraw/zinc/89/44/36/573894436.db2.gz HECKBYJMPUYXCW-CBAPKCEASA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]([N@H+]1CCC[C@H](CN)C1)C1(C)CC1 87364832 573894837 /nfs/dbraw/zinc/89/48/37/573894837.db2.gz FMVWRKUTAKEYCN-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+][C@H](C1CCC1)[C@H](CN)C(C)C 259224607 573894798 /nfs/dbraw/zinc/89/47/98/573894798.db2.gz MFBSRAMTMIYVGF-GHMZBOCLSA-N 1 3 184.327 1.605 10 0 ADAEHO NC1(C[C@@H]2CCCC[NH2+]2)CCC1 257902375 573897350 /nfs/dbraw/zinc/89/73/50/573897350.db2.gz DOWUPFASHPIQLF-VIFPVBQESA-N 1 3 168.284 1.400 10 0 ADAEHO [NH3+]C1(C[C@@H]2CCCCN2)CCC1 257902375 573897354 /nfs/dbraw/zinc/89/73/54/573897354.db2.gz DOWUPFASHPIQLF-VIFPVBQESA-N 1 3 168.284 1.400 10 0 ADAEHO C1=C(C[NH2+]C2CCCC2)CNCC1 257902276 573896838 /nfs/dbraw/zinc/89/68/38/573896838.db2.gz HXVYHJBCMRIZJI-UHFFFAOYSA-N 1 3 180.295 1.438 10 0 ADAEHO C1=C(CNC2CCCC2)C[NH2+]CC1 257902276 573896842 /nfs/dbraw/zinc/89/68/42/573896842.db2.gz HXVYHJBCMRIZJI-UHFFFAOYSA-N 1 3 180.295 1.438 10 0 ADAEHO C[C@@H]([N@@H+]1CC[C@H](CN)C1)C1(C)CC1 87364846 573896870 /nfs/dbraw/zinc/89/68/70/573896870.db2.gz HWGMETSXLYGSQM-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]([N@H+]1CC[C@H](CN)C1)C1(C)CC1 87364846 573896876 /nfs/dbraw/zinc/89/68/76/573896876.db2.gz HWGMETSXLYGSQM-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](CN)[C@@H]([NH3+])C1CCCC1 259227625 573897124 /nfs/dbraw/zinc/89/71/24/573897124.db2.gz HECKBYJMPUYXCW-IONNQARKSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]([NH3+])CCCNCc1cncs1 131620881 573897108 /nfs/dbraw/zinc/89/71/08/573897108.db2.gz LATXJVGQBQKDDF-QMMMGPOBSA-N 1 3 199.323 1.360 10 0 ADAEHO C[NH2+][C@H](C1CCC1)[C@@H](CN)C(C)C 259224614 573897162 /nfs/dbraw/zinc/89/71/62/573897162.db2.gz MFBSRAMTMIYVGF-WDEREUQCSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](CN)[C@@H]([NH3+])C1CCCC1 259227626 573897292 /nfs/dbraw/zinc/89/72/92/573897292.db2.gz HECKBYJMPUYXCW-VXNVDRBHSA-N 1 3 156.273 1.099 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)[C@@H](CN)C(C)C 259224829 573899588 /nfs/dbraw/zinc/89/95/88/573899588.db2.gz MHHXGNMXBXNKDE-QWRGUYRKSA-N 1 3 186.343 1.851 10 0 ADAEHO C[C@H]1CO[C@H](CC2CCN(C)CC2)[NH2+]1 258452820 573904051 /nfs/dbraw/zinc/90/40/51/573904051.db2.gz KFENEKADCWDVEK-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1CO[C@H](CC2CC[NH+](C)CC2)N1 258452820 573904054 /nfs/dbraw/zinc/90/40/54/573904054.db2.gz KFENEKADCWDVEK-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@H]([NH2+][C@H](C)C1CNC1)C1CCC1 686251388 573903455 /nfs/dbraw/zinc/90/34/55/573903455.db2.gz ZQHQAMIAHVWFMI-SKDRFNHKSA-N 1 3 196.338 1.763 10 0 ADAEHO CN[C@@H](CCC[NH2+]C)c1ccccn1 259225374 573905045 /nfs/dbraw/zinc/90/50/45/573905045.db2.gz GHROPJYDXQDSEL-JTQLQIEISA-N 1 3 193.294 1.342 10 0 ADAEHO CC[C@@H]([NH2+][C@H](C)C1CNC1)C1CCC1 686251384 573905105 /nfs/dbraw/zinc/90/51/05/573905105.db2.gz ZQHQAMIAHVWFMI-BXKDBHETSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CO[C@H](CC2CCN(C)CC2)[NH2+]1 258452852 573905226 /nfs/dbraw/zinc/90/52/26/573905226.db2.gz KFENEKADCWDVEK-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@H](CC2CC[NH+](C)CC2)N1 258452852 573905230 /nfs/dbraw/zinc/90/52/30/573905230.db2.gz KFENEKADCWDVEK-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[C@@H]1[C@H]2NCCC[C@@H]2C[N@@H+]1C 238191750 573905655 /nfs/dbraw/zinc/90/56/55/573905655.db2.gz RPZYTJWJAZOYHJ-OUAUKWLOSA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[C@@H]1[C@H]2NCCC[C@@H]2C[N@H+]1C 238191750 573905659 /nfs/dbraw/zinc/90/56/59/573905659.db2.gz RPZYTJWJAZOYHJ-OUAUKWLOSA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2NCCC[C@@H]2C[N@@H+]1C 238191264 573905849 /nfs/dbraw/zinc/90/58/49/573905849.db2.gz RPZYTJWJAZOYHJ-GMTAPVOTSA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[C@@H]1[C@@H]2NCCC[C@@H]2C[N@H+]1C 238191264 573905856 /nfs/dbraw/zinc/90/58/56/573905856.db2.gz RPZYTJWJAZOYHJ-GMTAPVOTSA-N 1 3 182.311 1.325 10 0 ADAEHO CCN[C@H](C)C[N@@H+]1CCC[C@@H]1CC 44472152 573907707 /nfs/dbraw/zinc/90/77/07/573907707.db2.gz GVEHPAAGQHNLOH-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@H](C)C[N@H+]1CCC[C@@H]1CC 44472152 573907711 /nfs/dbraw/zinc/90/77/11/573907711.db2.gz GVEHPAAGQHNLOH-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H](C)C1CNC1 686243774 573908019 /nfs/dbraw/zinc/90/80/19/573908019.db2.gz VCNKAJLSTPUVAN-IUCAKERBSA-N 1 3 170.300 1.230 10 0 ADAEHO CCN(CCC(N)=[NH2+])CC1CCCC1 44413405 573908059 /nfs/dbraw/zinc/90/80/59/573908059.db2.gz RHKYMBVSBWTZBB-UHFFFAOYSA-N 1 3 197.326 1.825 10 0 ADAEHO CCCCC[N@@H+]1CC[C@H](CN)[C@@H]1C 259234318 573908079 /nfs/dbraw/zinc/90/80/79/573908079.db2.gz DOZLEZAJNBLPHC-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+][C@@H]([C@@H](C)CN)C(C)(C)C 259580278 573908080 /nfs/dbraw/zinc/90/80/80/573908080.db2.gz WBEPMMNQOMJNEJ-YUMQZZPRSA-N 1 3 158.289 1.215 10 0 ADAEHO CCCCC[N@H+]1CC[C@H](CN)[C@@H]1C 259234318 573908083 /nfs/dbraw/zinc/90/80/83/573908083.db2.gz DOZLEZAJNBLPHC-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCCN(C)c1ccncc1 259000062 573909804 /nfs/dbraw/zinc/90/98/04/573909804.db2.gz WPMHTPYESYIWLJ-SNVBAGLBSA-N 1 3 193.294 1.645 10 0 ADAEHO C[N@@H+]1CCC(C)(C)CC[C@H]1CCN 76629755 573909831 /nfs/dbraw/zinc/90/98/31/573909831.db2.gz LIWXHZBWRDHHHO-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@H+]1CCC(C)(C)CC[C@H]1CCN 76629755 573909838 /nfs/dbraw/zinc/90/98/38/573909838.db2.gz LIWXHZBWRDHHHO-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](N)CC(C)C 259580351 573909293 /nfs/dbraw/zinc/90/92/93/573909293.db2.gz WCWIVQFQBWWKKI-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO CCC[C@@H](N(C)C)C1(C[NH3+])CCC1 259228504 573909413 /nfs/dbraw/zinc/90/94/13/573909413.db2.gz ASMWYVBDEFHJGN-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](N)CC(C)C 259580350 573909468 /nfs/dbraw/zinc/90/94/68/573909468.db2.gz WCWIVQFQBWWKKI-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO C[NH2+][C@H]([C@H](C)CN)C(C)(C)C 259580275 573909687 /nfs/dbraw/zinc/90/96/87/573909687.db2.gz WBEPMMNQOMJNEJ-HTQZYQBOSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)C1CCC1 127552558 573909737 /nfs/dbraw/zinc/90/97/37/573909737.db2.gz JFADTXUKDCPOJM-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C)C[NH2+][C@@H](C)C1CNC1 686243770 573909740 /nfs/dbraw/zinc/90/97/40/573909740.db2.gz VCNKAJLSTPUVAN-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)C1CCC1 127552558 573909743 /nfs/dbraw/zinc/90/97/43/573909743.db2.gz JFADTXUKDCPOJM-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C[NH3+])CN(C)C1CCC1 127552558 573909751 /nfs/dbraw/zinc/90/97/51/573909751.db2.gz JFADTXUKDCPOJM-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)CC[N@@H+]1CCC[C@@H]1CCN 259238707 573912694 /nfs/dbraw/zinc/91/26/94/573912694.db2.gz LNFGXFIATCCJHC-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[N@H+]1CCC[C@@H]1CCN 259238707 573912701 /nfs/dbraw/zinc/91/27/01/573912701.db2.gz LNFGXFIATCCJHC-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+]CCCn1ccc2cnccc21 258180004 573911682 /nfs/dbraw/zinc/91/16/82/573911682.db2.gz SLUUUHSQNDKSOQ-UHFFFAOYSA-N 1 3 189.262 1.646 10 0 ADAEHO CN(CC1(C[NH3+])CCC1)C1CCC1 127556700 573911759 /nfs/dbraw/zinc/91/17/59/573911759.db2.gz VLKOIXGEARLWLE-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[NH2+][C@@H](C)c1ccc(CN)s1 258453325 573911830 /nfs/dbraw/zinc/91/18/30/573911830.db2.gz GFBASHZNHJLHCJ-LURJTMIESA-N 1 3 170.281 1.487 10 0 ADAEHO CN(CC1(C[NH3+])CC1)C1CCC1 127548659 573911855 /nfs/dbraw/zinc/91/18/55/573911855.db2.gz XKPRFMHPPWOXFP-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H](C[NH3+])CCN(C)c1ccncc1 259002083 573911897 /nfs/dbraw/zinc/91/18/97/573911897.db2.gz WVKATHRHQNJXAS-SNVBAGLBSA-N 1 3 193.294 1.503 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)C1CCC1 127557809 573912232 /nfs/dbraw/zinc/91/22/32/573912232.db2.gz QGQMFXARJQLFRC-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)(C)CC[NH2+]CC1CNC1 259004470 573912559 /nfs/dbraw/zinc/91/25/59/573912559.db2.gz XCCIQSOPPKJBAD-UHFFFAOYSA-N 1 3 170.300 1.232 10 0 ADAEHO CC(C)(C)C[C@@H](N)C[NH+]1CCCC1 258179415 573912619 /nfs/dbraw/zinc/91/26/19/573912619.db2.gz OLRMTGJQVXZYCH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@](C[NH3+])(C[C@@H]1CCCO1)NC1CC1 689869795 573916105 /nfs/dbraw/zinc/91/61/05/573916105.db2.gz XWXASFSLUGSVIF-QWRGUYRKSA-N 1 3 198.310 1.025 10 0 ADAEHO CCCCN(C)CC[C@H]1CCC[NH2+]1 42171818 573916374 /nfs/dbraw/zinc/91/63/74/573916374.db2.gz NNBDIAUHQAUKPV-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+]CC(C)(C)NCC(C)C 259005524 573915748 /nfs/dbraw/zinc/91/57/48/573915748.db2.gz QQXYPRVXMVJFFO-UHFFFAOYSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)C1CCC1 127558021 573915762 /nfs/dbraw/zinc/91/57/62/573915762.db2.gz QGQMFXARJQLFRC-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@]1(CN(C)C2CCC2)CC[NH2+]C1 127560660 573915817 /nfs/dbraw/zinc/91/58/17/573915817.db2.gz XZESNOYKSCGGIC-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C[NH2+]C)CN(C)C1CCC1 259005420 573916037 /nfs/dbraw/zinc/91/60/37/573916037.db2.gz OGGBPRXXZMPHEJ-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@]1(C)C[C@H]1[NH2+]CC1(CN)CCC1 397405843 573917538 /nfs/dbraw/zinc/91/75/38/573917538.db2.gz TTXPRJYWWFKELL-MNOVXSKESA-N 1 3 196.338 1.894 10 0 ADAEHO CC[C@@]1(C)C[C@H]1NCC1(C[NH3+])CCC1 397405843 573917542 /nfs/dbraw/zinc/91/75/42/573917542.db2.gz TTXPRJYWWFKELL-MNOVXSKESA-N 1 3 196.338 1.894 10 0 ADAEHO CC(C)N(C)CC[C@@H]1CCC[NH2+]1 42171864 573917568 /nfs/dbraw/zinc/91/75/68/573917568.db2.gz ZOQMUMXPAAJHAV-JTQLQIEISA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN(CC)CC[C@@H]1CCC[NH2+]1 42171993 573918150 /nfs/dbraw/zinc/91/81/50/573918150.db2.gz NTNRDVKDYAJGQA-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCN(C)CC[C@@H]1CCC[NH2+]1 42172005 573920074 /nfs/dbraw/zinc/92/00/74/573920074.db2.gz WNHBPXZHGRGSMX-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CNCC[NH2+][C@@H]1C[C@H]1c1ccccc1 44675844 573920093 /nfs/dbraw/zinc/92/00/93/573920093.db2.gz AUOPNXJRHSOGJL-NWDGAFQWSA-N 1 3 190.290 1.352 10 0 ADAEHO CC(C)N(C)CC[C@H]1CCC[NH2+]1 42171866 573919368 /nfs/dbraw/zinc/91/93/68/573919368.db2.gz ZOQMUMXPAAJHAV-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[C@@H](C[NH3+])[C@H](N)c1cc[nH]c1 259581794 573919608 /nfs/dbraw/zinc/91/96/08/573919608.db2.gz WDDXXZSPRVVTNB-NXEZZACHSA-N 1 3 181.283 1.245 10 0 ADAEHO CC[C@](C)(C[NH3+])CN(C)C1CCC1 127565739 573919625 /nfs/dbraw/zinc/91/96/25/573919625.db2.gz ATVDRVJLOZFUQE-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CNCC[NH2+][C@@H]1C[C@@H]1c1ccccc1 44675842 573919748 /nfs/dbraw/zinc/91/97/48/573919748.db2.gz AUOPNXJRHSOGJL-VXGBXAGGSA-N 1 3 190.290 1.352 10 0 ADAEHO C[C@H](C1CC1)N(C)CC[C@@H]1CCC[NH2+]1 42172090 573919895 /nfs/dbraw/zinc/91/98/95/573919895.db2.gz JBIZGKWVSCJLQY-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNCC[NH2+][C@H]1C[C@H]1c1ccccc1 44675845 573919991 /nfs/dbraw/zinc/91/99/91/573919991.db2.gz AUOPNXJRHSOGJL-RYUDHWBXSA-N 1 3 190.290 1.352 10 0 ADAEHO CC(C)[C@@H](C[NH3+])[C@@H](N)c1cc[nH]c1 259581797 573920153 /nfs/dbraw/zinc/92/01/53/573920153.db2.gz WDDXXZSPRVVTNB-ZJUUUORDSA-N 1 3 181.283 1.245 10 0 ADAEHO [NH3+]CCCN[C@H]1C[C@@H]1c1ccccc1 44675804 573921984 /nfs/dbraw/zinc/92/19/84/573921984.db2.gz PQTROZRTUJHCTL-NEPJUHHUSA-N 1 3 190.290 1.481 10 0 ADAEHO NCCC[NH2+][C@H]1C[C@@H]1c1ccccc1 44675804 573921988 /nfs/dbraw/zinc/92/19/88/573921988.db2.gz PQTROZRTUJHCTL-NEPJUHHUSA-N 1 3 190.290 1.481 10 0 ADAEHO CCCNCC[C@@H]1CCC[NH2+]1 42172246 573921347 /nfs/dbraw/zinc/92/13/47/573921347.db2.gz GWEXUZYWRSHINR-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO CC(C)CN(C)CC[C@@H]1CCC[NH2+]1 42172009 573921566 /nfs/dbraw/zinc/92/15/66/573921566.db2.gz WLPRDJLFPXRXIG-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CCC[C@@](F)(C(C)(C)C[NH3+])C1 257900329 573921739 /nfs/dbraw/zinc/92/17/39/573921739.db2.gz YQMPZTVKVRBHQS-JTQLQIEISA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)[C@@H]1C[C@@H](N)C[C@@H]2CCC[N@@H+]21 238186700 573921759 /nfs/dbraw/zinc/92/17/59/573921759.db2.gz QBXVELHNVWFIRX-DCAQKATOSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@@H]1C[C@@H](N)C[C@@H]2CCC[N@H+]21 238186700 573921764 /nfs/dbraw/zinc/92/17/64/573921764.db2.gz QBXVELHNVWFIRX-DCAQKATOSA-N 1 3 182.311 1.597 10 0 ADAEHO CN1CCC[C@](F)(C(C)(C)C[NH3+])C1 257900334 573923229 /nfs/dbraw/zinc/92/32/29/573923229.db2.gz YQMPZTVKVRBHQS-SNVBAGLBSA-N 1 3 188.290 1.405 10 0 ADAEHO CCCCNCC[C@H]1CCC[NH2+]1 42172324 573923285 /nfs/dbraw/zinc/92/32/85/573923285.db2.gz YYRKGAXWHUAWLL-SNVBAGLBSA-N 1 3 170.300 1.518 10 0 ADAEHO CC(C)(C)C1CN(CC2(C[NH3+])CC2)C1 308463944 573925136 /nfs/dbraw/zinc/92/51/36/573925136.db2.gz FBRZUMSKOXWAHC-UHFFFAOYSA-N 1 3 196.338 1.703 10 0 ADAEHO CC(C)(C)C1C[NH+](CC2(CN)CC2)C1 308463944 573925140 /nfs/dbraw/zinc/92/51/40/573925140.db2.gz FBRZUMSKOXWAHC-UHFFFAOYSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[C@@H](C)NCC[C@@H]1CCC[NH2+]1 42172271 573924825 /nfs/dbraw/zinc/92/48/25/573924825.db2.gz GDGBMYURXFQGLY-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CCCCNCC[C@@H]1CCC[NH2+]1 42172322 573924836 /nfs/dbraw/zinc/92/48/36/573924836.db2.gz YYRKGAXWHUAWLL-JTQLQIEISA-N 1 3 170.300 1.518 10 0 ADAEHO C1CCN[C@@H](C[NH2+]C2CCC2)CC1 81038760 573926337 /nfs/dbraw/zinc/92/63/37/573926337.db2.gz OPAJZWCWDPXTBL-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)[C@@H](C)CN 259240958 573925669 /nfs/dbraw/zinc/92/56/69/573925669.db2.gz FYXPMKLNUGFMDC-WPRPVWTQSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C)NCC[C@H]1CCC[NH2+]1 42172280 573925714 /nfs/dbraw/zinc/92/57/14/573925714.db2.gz GDGBMYURXFQGLY-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)CNCC[C@@H]1CCC[NH2+]1 42172289 573925798 /nfs/dbraw/zinc/92/57/98/573925798.db2.gz IUCTUAPPJWOVLE-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)[C@H](C)CN 259240950 573925809 /nfs/dbraw/zinc/92/58/09/573925809.db2.gz FYXPMKLNUGFMDC-PSASIEDQSA-N 1 3 170.300 1.359 10 0 ADAEHO CNCC1([C@H]([NH2+]C)C(C)(C)C)CC1 259240974 573925927 /nfs/dbraw/zinc/92/59/27/573925927.db2.gz GWAWNVVJLFCQRT-SECBINFHSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCCN1 81038764 573926068 /nfs/dbraw/zinc/92/60/68/573926068.db2.gz NYUFJTREPQYMGZ-VWYCJHECSA-N 1 3 182.311 1.517 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)[C@@H](C)CN 259240955 573926082 /nfs/dbraw/zinc/92/60/82/573926082.db2.gz FYXPMKLNUGFMDC-WCBMZHEXSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[C@H](C)C[NH+]1CCC(N)CC1 81065389 573926212 /nfs/dbraw/zinc/92/62/12/573926212.db2.gz HQCQLTSCTQKSJR-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](C)CN1CCC([NH3+])CC1 81065389 573926216 /nfs/dbraw/zinc/92/62/16/573926216.db2.gz HQCQLTSCTQKSJR-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 81065362 573927220 /nfs/dbraw/zinc/92/72/20/573927220.db2.gz SHJCCAYQPZQPHZ-UTUOFQBUSA-N 1 3 198.354 1.948 10 0 ADAEHO CCC(CC)C[NH2+]C[C@H](C)[C@H](C)N 130422015 573927221 /nfs/dbraw/zinc/92/72/21/573927221.db2.gz BTTHDVPAWUZGQT-UWVGGRQHSA-N 1 3 186.343 1.996 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1CC[C@H](N)[C@H](C)C1 81065362 573927222 /nfs/dbraw/zinc/92/72/22/573927222.db2.gz SHJCCAYQPZQPHZ-UTUOFQBUSA-N 1 3 198.354 1.948 10 0 ADAEHO C1CCN[C@H](C[NH2+]C2CC2)CC1 81038152 573927286 /nfs/dbraw/zinc/92/72/86/573927286.db2.gz LAEVKSQUFZPMPF-JTQLQIEISA-N 1 3 168.284 1.271 10 0 ADAEHO CCC(CC)C[NH2+]C[C@@H](C)[C@H](C)N 130421813 573927385 /nfs/dbraw/zinc/92/73/85/573927385.db2.gz BTTHDVPAWUZGQT-ZJUUUORDSA-N 1 3 186.343 1.996 10 0 ADAEHO CN(C)CC1(F)CCC([NH3+])CC1 257901447 573927472 /nfs/dbraw/zinc/92/74/72/573927472.db2.gz OYUNYAJYQCKWOE-UHFFFAOYSA-N 1 3 174.263 1.158 10 0 ADAEHO CC(C)[N@@H+]1C[C@H]2CCCN[C@@H]2C1(C)C 238199682 573927496 /nfs/dbraw/zinc/92/74/96/573927496.db2.gz NYKCCFKGSUCJPT-MNOVXSKESA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[N@H+]1C[C@H]2CCCN[C@@H]2C1(C)C 238199682 573927501 /nfs/dbraw/zinc/92/75/01/573927501.db2.gz NYKCCFKGSUCJPT-MNOVXSKESA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[N@@H+]1C[C@H]2CCNC[C@@H]2C1(C)C 238199742 573927529 /nfs/dbraw/zinc/92/75/29/573927529.db2.gz KUSSCWBRHIJYFB-MNOVXSKESA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[N@H+]1C[C@H]2CCNC[C@@H]2C1(C)C 238199742 573927533 /nfs/dbraw/zinc/92/75/33/573927533.db2.gz KUSSCWBRHIJYFB-MNOVXSKESA-N 1 3 196.338 1.715 10 0 ADAEHO CC1(C)CC[N@@H+](C2CC2)C[C@@H]1CN 259240947 573928655 /nfs/dbraw/zinc/92/86/55/573928655.db2.gz LQCHWBGHPSGPHY-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@H](C)CN1CC[C@H]([NH3+])C1 81065396 573927766 /nfs/dbraw/zinc/92/77/66/573927766.db2.gz SINDYMAHJSJSHP-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCCCCN1 81038662 573927916 /nfs/dbraw/zinc/92/79/16/573927916.db2.gz GSCFYZWCHQTNEU-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCNC[C@@H]2[C@@H]1C 238199266 573927957 /nfs/dbraw/zinc/92/79/57/573927957.db2.gz RIAUEWKBUZSVSP-GARJFASQSA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCNC[C@@H]2[C@@H]1C 238199266 573927965 /nfs/dbraw/zinc/92/79/65/573927965.db2.gz RIAUEWKBUZSVSP-GARJFASQSA-N 1 3 182.311 1.325 10 0 ADAEHO C[NH2+]CC/C=C(\C)c1cnccc1N 211768237 573928035 /nfs/dbraw/zinc/92/80/35/573928035.db2.gz QZZJRGADJDVOJP-RUDMXATFSA-N 1 3 191.278 1.677 10 0 ADAEHO CC1(C)CCN(C2CC2)C[C@@H]1C[NH3+] 259240947 573928651 /nfs/dbraw/zinc/92/86/51/573928651.db2.gz LQCHWBGHPSGPHY-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@H+](C2CC2)C[C@@H]1CN 259240947 573928660 /nfs/dbraw/zinc/92/86/60/573928660.db2.gz LQCHWBGHPSGPHY-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO C1CCN[C@H](C[NH2+]C2CCC2)CC1 81038762 573928708 /nfs/dbraw/zinc/92/87/08/573928708.db2.gz OPAJZWCWDPXTBL-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO CC1(C)CCN(C2CC2)C[C@H]1C[NH3+] 259240944 573928877 /nfs/dbraw/zinc/92/88/77/573928877.db2.gz LQCHWBGHPSGPHY-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@@H+](C2CC2)C[C@H]1CN 259240944 573928883 /nfs/dbraw/zinc/92/88/83/573928883.db2.gz LQCHWBGHPSGPHY-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@H+](C2CC2)C[C@H]1CN 259240944 573928888 /nfs/dbraw/zinc/92/88/88/573928888.db2.gz LQCHWBGHPSGPHY-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@]1(C[C@@H]2CCCCN2)CCC[NH2+]1 258182741 573929130 /nfs/dbraw/zinc/92/91/30/573929130.db2.gz MCYKZPRHNDDMQK-QWRGUYRKSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@]1(C[C@@H]2CCCCN2)CCC[NH2+]1 258182744 573929508 /nfs/dbraw/zinc/92/95/08/573929508.db2.gz MCYKZPRHNDDMQK-WDEREUQCSA-N 1 3 182.311 1.661 10 0 ADAEHO CC(C)[C@@H](C)CN1CC[C@H]([NH3+])C1 81065392 573929568 /nfs/dbraw/zinc/92/95/68/573929568.db2.gz SINDYMAHJSJSHP-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@]1(C[C@H]2CCCCN2)CCC[NH2+]1 258182739 573929639 /nfs/dbraw/zinc/92/96/39/573929639.db2.gz MCYKZPRHNDDMQK-MNOVXSKESA-N 1 3 182.311 1.661 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)[C@H](C)CN 259240954 573929837 /nfs/dbraw/zinc/92/98/37/573929837.db2.gz FYXPMKLNUGFMDC-SCZZXKLOSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CNCC[C@@H]2[C@@H]1C 238199283 573931016 /nfs/dbraw/zinc/93/10/16/573931016.db2.gz NSNCPDMSPYNVGN-GARJFASQSA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CNCC[C@@H]2[C@@H]1C 238199283 573931023 /nfs/dbraw/zinc/93/10/23/573931023.db2.gz NSNCPDMSPYNVGN-GARJFASQSA-N 1 3 182.311 1.325 10 0 ADAEHO C[NH2+]CC/C=C\Cc1cnccc1N 211600101 573931093 /nfs/dbraw/zinc/93/10/93/573931093.db2.gz HJSDGWAQKVZLKG-IHWYPQMZSA-N 1 3 191.278 1.372 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)C)C1(C)C 259190534 573931246 /nfs/dbraw/zinc/93/12/46/573931246.db2.gz BOQAYLICMMUWQE-SECBINFHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)C)C1(C)C 259190534 573931250 /nfs/dbraw/zinc/93/12/50/573931250.db2.gz BOQAYLICMMUWQE-SECBINFHSA-N 1 3 170.300 1.467 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2NCCC[C@@H]2[C@@H]1C 238199321 573931626 /nfs/dbraw/zinc/93/16/26/573931626.db2.gz UKCXTSUVVGIFDL-AXFHLTTASA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2NCCC[C@@H]2[C@@H]1C 238199321 573931628 /nfs/dbraw/zinc/93/16/28/573931628.db2.gz UKCXTSUVVGIFDL-AXFHLTTASA-N 1 3 182.311 1.467 10 0 ADAEHO CC[C@@H]1CCC[C@@H](N2CC(C[NH3+])C2)C1 84987775 573936105 /nfs/dbraw/zinc/93/61/05/573936105.db2.gz KTXUKHRFOLCWGL-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](CC(C)(C)[NH3+])N(C)C 259243485 573934722 /nfs/dbraw/zinc/93/47/22/573934722.db2.gz BFULIQOYPMBROW-MRVPVSSYSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H]1CCC[C@@H]([NH+]2CC(CN)C2)C1 84987775 573936108 /nfs/dbraw/zinc/93/61/08/573936108.db2.gz KTXUKHRFOLCWGL-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C[C@H](CN)Cc1cccs1 258462419 573934818 /nfs/dbraw/zinc/93/48/18/573934818.db2.gz XXIODJNCHJFNDT-QMMMGPOBSA-N 1 3 184.308 1.085 10 0 ADAEHO CNC[C@H](C[NH3+])Cc1cccs1 258462419 573934822 /nfs/dbraw/zinc/93/48/22/573934822.db2.gz XXIODJNCHJFNDT-QMMMGPOBSA-N 1 3 184.308 1.085 10 0 ADAEHO Cc1cccc([C@@H](N)C[C@H](C)[NH3+])c1 259244228 573935209 /nfs/dbraw/zinc/93/52/09/573935209.db2.gz HXFGNINIPSKQDU-ONGXEEELSA-N 1 3 178.279 1.732 10 0 ADAEHO CC[C@H](C[C@@H](C)[NH3+])Nc1nccn1C 716862777 573935225 /nfs/dbraw/zinc/93/52/25/573935225.db2.gz ALUDSROMKXVRCA-RKDXNWHRSA-N 1 3 196.298 1.348 10 0 ADAEHO C[NH2+]CC1(CN(C)C2CCC2)CC1 259016852 573935261 /nfs/dbraw/zinc/93/52/61/573935261.db2.gz YBTDNBPZFOMHET-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC1(C[N@H+](C)C2CCC2)CC1 259016852 573935266 /nfs/dbraw/zinc/93/52/66/573935266.db2.gz YBTDNBPZFOMHET-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC1(C[N@@H+](C)C2CCC2)CC1 259016852 573935269 /nfs/dbraw/zinc/93/52/69/573935269.db2.gz YBTDNBPZFOMHET-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO Cc1cccc([C@H](N)C[C@@H](C)[NH3+])c1 259244225 573935270 /nfs/dbraw/zinc/93/52/70/573935270.db2.gz HXFGNINIPSKQDU-MWLCHTKSSA-N 1 3 178.279 1.732 10 0 ADAEHO C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 81161636 573935338 /nfs/dbraw/zinc/93/53/38/573935338.db2.gz ORURLUZOGNZUBI-UHFFFAOYSA-N 1 3 184.327 1.857 10 0 ADAEHO CNC1CC(C)(C)[NH+](C)C(C)(C)C1 81161636 573935339 /nfs/dbraw/zinc/93/53/39/573935339.db2.gz ORURLUZOGNZUBI-UHFFFAOYSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](CC[NH+](C)C)Cc1ccoc1 131785775 573935462 /nfs/dbraw/zinc/93/54/62/573935462.db2.gz CEXWOWMKEXZQCA-LLVKDONJSA-N 1 3 196.294 1.362 10 0 ADAEHO C[C@@H]1CC([NH+]2CC(CN)C2)C[C@@H](C)C1 84987938 573935824 /nfs/dbraw/zinc/93/58/24/573935824.db2.gz IPQMQJRSJZXKGN-UWVGGRQHSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1CC(N2CC(C[NH3+])C2)C[C@@H](C)C1 84987938 573935831 /nfs/dbraw/zinc/93/58/31/573935831.db2.gz IPQMQJRSJZXKGN-UWVGGRQHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@H]1CCC[C@@H](N2CC(C[NH3+])C2)C1 84987777 573935964 /nfs/dbraw/zinc/93/59/64/573935964.db2.gz KTXUKHRFOLCWGL-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1CCC[C@@H]([NH+]2CC(CN)C2)C1 84987777 573935968 /nfs/dbraw/zinc/93/59/68/573935968.db2.gz KTXUKHRFOLCWGL-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO CN[C@@H](CC[NH+](C)C)Cc1ccoc1 131785562 573936081 /nfs/dbraw/zinc/93/60/81/573936081.db2.gz CEXWOWMKEXZQCA-NSHDSACASA-N 1 3 196.294 1.362 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH+]2CC(CN)C2)C1 84987761 573936181 /nfs/dbraw/zinc/93/61/81/573936181.db2.gz SVFGZBLKCIBILK-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@H](N2CC(C[NH3+])C2)C1 84987761 573936185 /nfs/dbraw/zinc/93/61/85/573936185.db2.gz SVFGZBLKCIBILK-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@H](N(C)C)C1)C1CC1 131772565 573938111 /nfs/dbraw/zinc/93/81/11/573938111.db2.gz BQCUGRMDTGCIQV-DLOVCJGASA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](N)c1ccccc1 81195218 573938119 /nfs/dbraw/zinc/93/81/19/573938119.db2.gz UAMKLRDJWTWGBE-WPRPVWTQSA-N 1 3 164.252 1.281 10 0 ADAEHO CC[C@H]1CCCC[C@@H]1[NH+]1CC(CN)C1 84987837 573938209 /nfs/dbraw/zinc/93/82/09/573938209.db2.gz OTUWJKSCUXURAE-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CCC(N2CC(C[NH3+])C2)CC1 84988021 573939190 /nfs/dbraw/zinc/93/91/90/573939190.db2.gz SJQSWIXQOYBXQN-UHFFFAOYSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CCC([NH+]2CC(CN)C2)CC1 84988021 573939200 /nfs/dbraw/zinc/93/92/00/573939200.db2.gz SJQSWIXQOYBXQN-UHFFFAOYSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[NH2+]CCCN(CC)C1CC1 42409496 573939235 /nfs/dbraw/zinc/93/92/35/573939235.db2.gz CKZCEBSFWCZLFK-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@@H](C)CN1CC(C[NH3+])C1 84988201 573939540 /nfs/dbraw/zinc/93/95/40/573939540.db2.gz VRUVWUPXGJTGSX-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@@H](C)C[NH+]1CC(CN)C1 84988201 573939546 /nfs/dbraw/zinc/93/95/46/573939546.db2.gz VRUVWUPXGJTGSX-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[NH2+]CCCN(C)C(C)C 42409239 573939563 /nfs/dbraw/zinc/93/95/63/573939563.db2.gz SGXOVVZGKNNAMH-UHFFFAOYSA-N 1 3 158.289 1.326 10 0 ADAEHO C[C@H](N)CC[N@H+](C)CC(C)(C)C 45072262 573941882 /nfs/dbraw/zinc/94/18/82/573941882.db2.gz IMFZRKZEGLOXPX-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)CC(C)(C)C 45072262 573941889 /nfs/dbraw/zinc/94/18/89/573941889.db2.gz IMFZRKZEGLOXPX-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CN1CCCC[C@H]1CC1([NH3+])CCC1 258184675 573941898 /nfs/dbraw/zinc/94/18/98/573941898.db2.gz YFIRFZLAVCJVAJ-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CCNCCC[N@H+](CC)CC(C)C 42409477 573941929 /nfs/dbraw/zinc/94/19/29/573941929.db2.gz MUKJYXHRIYSXLT-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@@H+](CC)CC(C)C 42409477 573941933 /nfs/dbraw/zinc/94/19/33/573941933.db2.gz MUKJYXHRIYSXLT-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CC(C)(C)C 45072262 573941873 /nfs/dbraw/zinc/94/18/73/573941873.db2.gz IMFZRKZEGLOXPX-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@H+]1CCCCN[C@H](C)C1 259246178 573943916 /nfs/dbraw/zinc/94/39/16/573943916.db2.gz FBVFISQCYZSLFU-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCN1CCCC[NH2+][C@H](C)C1 259246178 573943921 /nfs/dbraw/zinc/94/39/21/573943921.db2.gz FBVFISQCYZSLFU-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCNCCC[N@@H+]1CCC[C@@H]1CC 42409126 573943886 /nfs/dbraw/zinc/94/38/86/573943886.db2.gz JMFMBBICMWFZRD-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCNCCC[N@H+]1CCC[C@@H]1CC 42409126 573943891 /nfs/dbraw/zinc/94/38/91/573943891.db2.gz JMFMBBICMWFZRD-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+]CCCN1CCC[C@@H]1CC 42409126 573943894 /nfs/dbraw/zinc/94/38/94/573943894.db2.gz JMFMBBICMWFZRD-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC[N@@H+]1CCCCN[C@H](C)C1 259246178 573943911 /nfs/dbraw/zinc/94/39/11/573943911.db2.gz FBVFISQCYZSLFU-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H](CN)CC1(C)C 259245918 573943642 /nfs/dbraw/zinc/94/36/42/573943642.db2.gz FAABOPQAJYKJGX-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H](CN)CC1(C)C 259245918 573943647 /nfs/dbraw/zinc/94/36/47/573943647.db2.gz FAABOPQAJYKJGX-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH2+]CCCN1CCC[C@@H](C)C1 42409221 573943693 /nfs/dbraw/zinc/94/36/93/573943693.db2.gz YGYVOHQSIUYUKF-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CN(CCC(N)=[NH2+])CC(C)(C)C 45074245 573943710 /nfs/dbraw/zinc/94/37/10/573943710.db2.gz WDGTZYMUKBZXPX-UHFFFAOYSA-N 1 3 171.288 1.290 10 0 ADAEHO CC[NH2+]CCCN(CC)C(C)C 42409487 573943721 /nfs/dbraw/zinc/94/37/21/573943721.db2.gz ZPVNGCJMDSGKJT-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@H+](CC)C(C)C 42409487 573943725 /nfs/dbraw/zinc/94/37/25/573943725.db2.gz ZPVNGCJMDSGKJT-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@@H+](CC)C(C)C 42409487 573943730 /nfs/dbraw/zinc/94/37/30/573943730.db2.gz ZPVNGCJMDSGKJT-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[NH2+]CCCN(C)C(C)C 42409238 573943964 /nfs/dbraw/zinc/94/39/64/573943964.db2.gz RTXBNKVTCPPMRB-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)C1CC1 127776618 573944038 /nfs/dbraw/zinc/94/40/38/573944038.db2.gz OLYYYNDIUJNYSL-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCN(C)CCC[NH2+]CC 42409517 573944072 /nfs/dbraw/zinc/94/40/72/573944072.db2.gz TXLOBFBWLIXGIS-UHFFFAOYSA-N 1 3 158.289 1.328 10 0 ADAEHO CCCN(CC)CCC[NH2+]CC 42409509 573944086 /nfs/dbraw/zinc/94/40/86/573944086.db2.gz VYHGUKQDLFIQCF-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CCC[N@H+](CC)CCCNCC 42409509 573944091 /nfs/dbraw/zinc/94/40/91/573944091.db2.gz VYHGUKQDLFIQCF-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CCC[N@@H+](CC)CCCNCC 42409509 573944098 /nfs/dbraw/zinc/94/40/98/573944098.db2.gz VYHGUKQDLFIQCF-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CCCN(C)CC[C@@H]([NH3+])CC 127779987 573944099 /nfs/dbraw/zinc/94/40/99/573944099.db2.gz CZLWIPYEUKTILN-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO C[C@H](CCN)[NH2+]CC(C1CC1)C1CC1 308469655 573944310 /nfs/dbraw/zinc/94/43/10/573944310.db2.gz ITTNIRGTLAASGM-SECBINFHSA-N 1 3 196.338 1.750 10 0 ADAEHO CN1C[C@@H](C2CCCC2)C[C@H]1C[NH3+] 257914037 573949213 /nfs/dbraw/zinc/94/92/13/573949213.db2.gz QRHRDCIJVFBQBV-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]CCCN1CCCC1 45118939 573950441 /nfs/dbraw/zinc/95/04/41/573950441.db2.gz BNZLCOMRJJANPE-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[C@@]1(N)CC[C@@H](C)C[C@@H]1[NH3+] 238205774 573949458 /nfs/dbraw/zinc/94/94/58/573949458.db2.gz LCGGJIVQTOJHEO-UTLUCORTSA-N 1 3 170.300 1.487 10 0 ADAEHO CC1(C)C[C@@H]1NCCC[NH+]1CCCC1 45118939 573950447 /nfs/dbraw/zinc/95/04/47/573950447.db2.gz BNZLCOMRJJANPE-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CN1C[C@H](C2CCCC2)C[C@H]1C[NH3+] 257914034 573949537 /nfs/dbraw/zinc/94/95/37/573949537.db2.gz QRHRDCIJVFBQBV-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CN1C[C@H](C2CCCC2)C[C@@H]1C[NH3+] 257914031 573949643 /nfs/dbraw/zinc/94/96/43/573949643.db2.gz QRHRDCIJVFBQBV-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH2+]CC1=CCCN(C(C)C)C1 257914114 573949691 /nfs/dbraw/zinc/94/96/91/573949691.db2.gz BPINKHDRMYIBCA-UHFFFAOYSA-N 1 3 168.284 1.246 10 0 ADAEHO CN1C[C@@H](C2CCCC2)C[C@@H]1C[NH3+] 257914040 573950124 /nfs/dbraw/zinc/95/01/24/573950124.db2.gz QRHRDCIJVFBQBV-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)([NH3+])C[C@@H](N)c1cc[nH]c1 259249373 573952594 /nfs/dbraw/zinc/95/25/94/573952594.db2.gz IBJMATLNYKYFGJ-MRVPVSSYSA-N 1 3 167.256 1.142 10 0 ADAEHO C[C@H](N)C[C@@H]([NH+](C)C)C(C)(C)C 259249193 573952895 /nfs/dbraw/zinc/95/28/95/573952895.db2.gz BJHZZIMPLCKBCV-DTWKUNHWSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[N@H+](CCC(C)C)C[C@H](C)CN 42442917 573953179 /nfs/dbraw/zinc/95/31/79/573953179.db2.gz OHBFIMUXYCTJIK-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC1CC[NH+]([C@@H](C)CCN)CC1 42446292 573953144 /nfs/dbraw/zinc/95/31/44/573953144.db2.gz FZHFAVFZRDAOEP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC1CCN([C@@H](C)CC[NH3+])CC1 42446292 573953148 /nfs/dbraw/zinc/95/31/48/573953148.db2.gz FZHFAVFZRDAOEP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(CCCC[NH3+])Cc1ccco1 42445390 573953055 /nfs/dbraw/zinc/95/30/55/573953055.db2.gz XEKVXVHCZLNKMD-UHFFFAOYSA-N 1 3 196.294 1.840 10 0 ADAEHO CC[N@@H+](CCC(C)C)C[C@H](C)CN 42442917 573953185 /nfs/dbraw/zinc/95/31/85/573953185.db2.gz OHBFIMUXYCTJIK-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)([NH3+])C[C@H](N)c1cc[nH]c1 259249377 573952721 /nfs/dbraw/zinc/95/27/21/573952721.db2.gz IBJMATLNYKYFGJ-QMMMGPOBSA-N 1 3 167.256 1.142 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](N(C)C)C(C)(C)C 259249193 573952886 /nfs/dbraw/zinc/95/28/86/573952886.db2.gz BJHZZIMPLCKBCV-DTWKUNHWSA-N 1 3 172.316 1.700 10 0 ADAEHO CCCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 42427330 573954430 /nfs/dbraw/zinc/95/44/30/573954430.db2.gz NTDRMBKTRZBEPI-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+]1C[C@@H](CN)CC[C@@H]1C 42427330 573954438 /nfs/dbraw/zinc/95/44/38/573954438.db2.gz NTDRMBKTRZBEPI-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[NH2+]CCCN[C@@H]1CC1(C)C 45137972 573954225 /nfs/dbraw/zinc/95/42/25/573954225.db2.gz DILWUAWXOMCRQF-SNVBAGLBSA-N 1 3 184.327 1.763 10 0 ADAEHO N[C@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81640757 573954229 /nfs/dbraw/zinc/95/42/29/573954229.db2.gz USMIJIIONYFTLR-NXEZZACHSA-N 1 3 168.284 1.243 10 0 ADAEHO C[C@@H]1C[N@H+](CC(C)(C)CN)[C@@H]1C 642825236 573954237 /nfs/dbraw/zinc/95/42/37/573954237.db2.gz USZVNRSADLUKKW-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1C[N@@H+](CC(C)(C)CN)[C@@H]1C 642825236 573954242 /nfs/dbraw/zinc/95/42/42/573954242.db2.gz USZVNRSADLUKKW-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CN(CC(C)(C)C[NH3+])[C@@H]1C 642825236 573954248 /nfs/dbraw/zinc/95/42/48/573954248.db2.gz USZVNRSADLUKKW-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CN[C@@H](c1cccs1)[C@H](C)C[NH3+] 259250003 573954303 /nfs/dbraw/zinc/95/43/03/573954303.db2.gz GJJRFBRXPPDCDB-VXNVDRBHSA-N 1 3 184.308 1.603 10 0 ADAEHO CCC1CCN(CC[C@@H](C)[NH3+])CC1 42446618 573954381 /nfs/dbraw/zinc/95/43/81/573954381.db2.gz XJJAYTURZKCHIZ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@](C)([NH3+])C1CC1 45137667 573957077 /nfs/dbraw/zinc/95/70/77/573957077.db2.gz IRPLGPGPKICNHJ-MWLCHTKSSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)[NH2+]CCCN[C@H]1CC1(C)C 45137974 573956167 /nfs/dbraw/zinc/95/61/67/573956167.db2.gz DILWUAWXOMCRQF-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1[C@@H]1CC1(C)C 45135329 573956189 /nfs/dbraw/zinc/95/61/89/573956189.db2.gz YQWXYLFXBYRHQY-LPEHRKFASA-N 1 3 182.311 1.597 10 0 ADAEHO N[C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 81640746 573956193 /nfs/dbraw/zinc/95/61/93/573956193.db2.gz USMIJIIONYFTLR-UWVGGRQHSA-N 1 3 168.284 1.243 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1[C@@H]1CC1(C)C 45135329 573956194 /nfs/dbraw/zinc/95/61/94/573956194.db2.gz YQWXYLFXBYRHQY-LPEHRKFASA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H](C)NCC[NH2+][C@H]1CC1(C)C 45137968 573956230 /nfs/dbraw/zinc/95/62/30/573956230.db2.gz RTEWQVRNMMBHFZ-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1(C)C[C@H]1NCC[C@H]1CCC[NH2+]1 45137811 573956251 /nfs/dbraw/zinc/95/62/51/573956251.db2.gz KOKUSBCBCUMWJJ-NXEZZACHSA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@H](c1cccs1)[C@H](C)C[NH3+] 259249993 573956491 /nfs/dbraw/zinc/95/64/91/573956491.db2.gz GJJRFBRXPPDCDB-APPZFPTMSA-N 1 3 184.308 1.603 10 0 ADAEHO CC(C)[C@H]([NH3+])CN[C@H]1CC1(C)C 45137895 573956825 /nfs/dbraw/zinc/95/68/25/573956825.db2.gz MUULNSAZRJVNLS-BDAKNGLRSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@@H]([NH3+])CN[C@H]1CC1(C)C 45137983 573956655 /nfs/dbraw/zinc/95/66/55/573956655.db2.gz DJJXNDAAUFQBRH-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)CCCOC 127883594 573956740 /nfs/dbraw/zinc/95/67/40/573956740.db2.gz BNVXPFBLFNIOOJ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC(C)[C@]1(N)CC[C@@H](C)C[C@@H]1[NH3+] 238210534 573956756 /nfs/dbraw/zinc/95/67/56/573956756.db2.gz LCGGJIVQTOJHEO-KXUCPTDWSA-N 1 3 170.300 1.487 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137881 573956777 /nfs/dbraw/zinc/95/67/77/573956777.db2.gz TZNYYPZFCXRORA-VHSXEESVSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@H](C)NCC[NH2+][C@H]1CC1(C)C 45137970 573956896 /nfs/dbraw/zinc/95/68/96/573956896.db2.gz RTEWQVRNMMBHFZ-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](C[NH3+])[C@@]1(F)CCCN(C)C1 257911448 573956978 /nfs/dbraw/zinc/95/69/78/573956978.db2.gz QHZWVWLDNUINRT-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO CC[C@@H](C)[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137687 573958021 /nfs/dbraw/zinc/95/80/21/573958021.db2.gz OSNOBINQEBQFSR-KXUCPTDWSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN[C@H]1CC1(C)C 45137886 573958299 /nfs/dbraw/zinc/95/82/99/573958299.db2.gz TZNYYPZFCXRORA-UWVGGRQHSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN[C@H]1CC1(C)C 45137898 573958421 /nfs/dbraw/zinc/95/84/21/573958421.db2.gz MUULNSAZRJVNLS-IUCAKERBSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@H]([NH3+])CN[C@H]1CC1(C)C 45137981 573958465 /nfs/dbraw/zinc/95/84/65/573958465.db2.gz DJJXNDAAUFQBRH-UWVGGRQHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@@H]([NH3+])CN[C@H]1CC1(C)C 45137888 573958480 /nfs/dbraw/zinc/95/84/80/573958480.db2.gz TZNYYPZFCXRORA-ZJUUUORDSA-N 1 3 184.327 1.748 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]CCNC1CCCC1 45137675 573958508 /nfs/dbraw/zinc/95/85/08/573958508.db2.gz FBQSKFSTCSXLLT-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCN(C)C[C@@H](CC)C[NH2+]C 259028671 573959692 /nfs/dbraw/zinc/95/96/92/573959692.db2.gz QGKYYXGENTXSFX-JTQLQIEISA-N 1 3 172.316 1.574 10 0 ADAEHO CCC[N@H+](C)C[C@@H](CC)CNC 259028671 573959695 /nfs/dbraw/zinc/95/96/95/573959695.db2.gz QGKYYXGENTXSFX-JTQLQIEISA-N 1 3 172.316 1.574 10 0 ADAEHO CCC[N@@H+](C)C[C@@H](CC)CNC 259028671 573959700 /nfs/dbraw/zinc/95/97/00/573959700.db2.gz QGKYYXGENTXSFX-JTQLQIEISA-N 1 3 172.316 1.574 10 0 ADAEHO CC[C@H](CC[NH3+])N(CC)CCOC 42492063 573959721 /nfs/dbraw/zinc/95/97/21/573959721.db2.gz OAYUWYGQGZNHHY-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@H](CCN)[N@H+](CC)CCOC 42492063 573959724 /nfs/dbraw/zinc/95/97/24/573959724.db2.gz OAYUWYGQGZNHHY-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@H](CCN)[N@@H+](CC)CCOC 42492063 573959727 /nfs/dbraw/zinc/95/97/27/573959727.db2.gz OAYUWYGQGZNHHY-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@@H](N)CC 127878818 573959806 /nfs/dbraw/zinc/95/98/06/573959806.db2.gz NQVLSFRYRCZXGS-UWVGGRQHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@H+](CC)CCOC 42492864 573959927 /nfs/dbraw/zinc/95/99/27/573959927.db2.gz UIPACCLIGTVWJT-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@@H+](CC)CCOC 42492864 573959931 /nfs/dbraw/zinc/95/99/31/573959931.db2.gz UIPACCLIGTVWJT-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@H](N)CC 127878318 573960167 /nfs/dbraw/zinc/96/01/67/573960167.db2.gz NQVLSFRYRCZXGS-VHSXEESVSA-N 1 3 172.316 1.750 10 0 ADAEHO NC[C@@H](CC1CC1)C[NH+]1CCCCC1 404840829 573960184 /nfs/dbraw/zinc/96/01/84/573960184.db2.gz KYQVAQSEPKVOKQ-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+]C[C@@H](CC1CC1)CN1CCCCC1 404840829 573960186 /nfs/dbraw/zinc/96/01/86/573960186.db2.gz KYQVAQSEPKVOKQ-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@H+](CC)CCOC 42492866 573960395 /nfs/dbraw/zinc/96/03/95/573960395.db2.gz UIPACCLIGTVWJT-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@@H+](CC)CCOC 42492866 573960399 /nfs/dbraw/zinc/96/03/99/573960399.db2.gz UIPACCLIGTVWJT-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@H]([NH2+]C1CC(C)(C)C1)C1CNC1 686251939 573960476 /nfs/dbraw/zinc/96/04/76/573960476.db2.gz MVSLAXZPKHLOFY-QMMMGPOBSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H](CN(C)CCC(C)(C)C)C(N)=[NH2+] 42459830 573962136 /nfs/dbraw/zinc/96/21/36/573962136.db2.gz MJSCBKWDIUMINY-SECBINFHSA-N 1 3 199.342 1.926 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC[C@H](N)CC 127878047 573961091 /nfs/dbraw/zinc/96/10/91/573961091.db2.gz NQVLSFRYRCZXGS-NXEZZACHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@@H](N)[C@H](C)[N@H+](CC)CCOC 42492867 573961406 /nfs/dbraw/zinc/96/14/06/573961406.db2.gz UIPACCLIGTVWJT-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](N)[C@H](C)[N@@H+](CC)CCOC 42492867 573961410 /nfs/dbraw/zinc/96/14/10/573961410.db2.gz UIPACCLIGTVWJT-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CC[NH3+])N(CC)CCOC 42492062 573961500 /nfs/dbraw/zinc/96/15/00/573961500.db2.gz OAYUWYGQGZNHHY-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](CCN)[N@H+](CC)CCOC 42492062 573961506 /nfs/dbraw/zinc/96/15/06/573961506.db2.gz OAYUWYGQGZNHHY-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](CC)CCOC 42492062 573961510 /nfs/dbraw/zinc/96/15/10/573961510.db2.gz OAYUWYGQGZNHHY-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[N@H+](C)[C@@H](C)COC 42518081 573965202 /nfs/dbraw/zinc/96/52/02/573965202.db2.gz ARGNSYGQYXHRPW-IVZWLZJFSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[N@@H+](C)[C@@H](C)COC 42518081 573965207 /nfs/dbraw/zinc/96/52/07/573965207.db2.gz ARGNSYGQYXHRPW-IVZWLZJFSA-N 1 3 188.315 1.079 10 0 ADAEHO CC(C)CN(CCC(N)=[NH2+])C(C)C 42529706 573965418 /nfs/dbraw/zinc/96/54/18/573965418.db2.gz ODQIRIGXYORZLR-UHFFFAOYSA-N 1 3 185.315 1.679 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CNC1 686251607 573964331 /nfs/dbraw/zinc/96/43/31/573964331.db2.gz RWKYCQIZSGCAON-GAIPPQHRSA-N 1 3 194.322 1.373 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)C1CCC1 127896714 573964469 /nfs/dbraw/zinc/96/44/69/573964469.db2.gz MSJFZEPOVGMNKZ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1(C)CCCN(C/C=C/C[NH3+])C1 85055165 573964608 /nfs/dbraw/zinc/96/46/08/573964608.db2.gz MLQVUHZHLNLIGI-ONEGZZNKSA-N 1 3 182.311 1.623 10 0 ADAEHO CC[C@@H](CC[NH3+])N(C)[C@@H](C)COC 42517498 573964657 /nfs/dbraw/zinc/96/46/57/573964657.db2.gz MVPDFJDVZNGXDG-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)[C@@H](C)COC 42517498 573964661 /nfs/dbraw/zinc/96/46/61/573964661.db2.gz MVPDFJDVZNGXDG-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)[C@@H](C)COC 42517498 573964663 /nfs/dbraw/zinc/96/46/63/573964663.db2.gz MVPDFJDVZNGXDG-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)CC1CC1 127798734 573964664 /nfs/dbraw/zinc/96/46/64/573964664.db2.gz PJZIFRLPFZTKCB-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]([NH3+])CCNCCC(F)(F)F 127890052 573964786 /nfs/dbraw/zinc/96/47/86/573964786.db2.gz QWUNMLLQQUETOC-SSDOTTSWSA-N 1 3 198.232 1.656 10 0 ADAEHO CN(C/C=C/C[NH3+])Cc1ccccc1 85054751 573964952 /nfs/dbraw/zinc/96/49/52/573964952.db2.gz LMRBGJWBHKIKBQ-AATRIKPKSA-N 1 3 190.290 1.633 10 0 ADAEHO CC[C@H](CC[NH3+])N(C)[C@@H](C)COC 42517499 573965508 /nfs/dbraw/zinc/96/55/08/573965508.db2.gz MVPDFJDVZNGXDG-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CN(C)[C@H](CCC[NH3+])c1ccc[nH]1 259252301 573965281 /nfs/dbraw/zinc/96/52/81/573965281.db2.gz BNAXOOHNRDTDDH-SNVBAGLBSA-N 1 3 181.283 1.356 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)C1CCC1 127897183 573966810 /nfs/dbraw/zinc/96/68/10/573966810.db2.gz MSJFZEPOVGMNKZ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCN(CCC(N)=[NH2+])C(C)C 42529691 573967165 /nfs/dbraw/zinc/96/71/65/573967165.db2.gz OSULOKZLBKIUKM-UHFFFAOYSA-N 1 3 185.315 1.823 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)[C@@H](C)C1CC1 127789836 573966287 /nfs/dbraw/zinc/96/62/87/573966287.db2.gz ASFNQNLCFHZVRD-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@@H+]1C[C@H](C)[C@@H](N)C[C@@H]1C 238219219 573966449 /nfs/dbraw/zinc/96/64/49/573966449.db2.gz GGVPCQAXKFWPKH-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@H+]1C[C@H](C)[C@@H](N)C[C@@H]1C 238219219 573966452 /nfs/dbraw/zinc/96/64/52/573966452.db2.gz GGVPCQAXKFWPKH-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238219219 573966458 /nfs/dbraw/zinc/96/64/58/573966458.db2.gz GGVPCQAXKFWPKH-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH2+]CC[C@H](C)N(C)C1CCC1 127892669 573966643 /nfs/dbraw/zinc/96/66/43/573966643.db2.gz OXDSQHOYGFTGSW-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CNCC[C@H](C)[N@H+](C)C1CCC1 127892669 573966648 /nfs/dbraw/zinc/96/66/48/573966648.db2.gz OXDSQHOYGFTGSW-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CNCC[C@H](C)[N@@H+](C)C1CCC1 127892669 573966652 /nfs/dbraw/zinc/96/66/52/573966652.db2.gz OXDSQHOYGFTGSW-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CCC(CC)([C@@H](C)N)[C@@H](C)[NH3+] 238218743 573966842 /nfs/dbraw/zinc/96/68/42/573966842.db2.gz CNIRMALFIXKILN-HTQZYQBOSA-N 1 3 158.289 1.487 10 0 ADAEHO C[NH2+]CC[C@@H](C)N(C)C1CCC1 127892909 573967034 /nfs/dbraw/zinc/96/70/34/573967034.db2.gz OXDSQHOYGFTGSW-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CNCC[C@@H](C)[N@H+](C)C1CCC1 127892909 573967039 /nfs/dbraw/zinc/96/70/39/573967039.db2.gz OXDSQHOYGFTGSW-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CNCC[C@@H](C)[N@@H+](C)C1CCC1 127892909 573967045 /nfs/dbraw/zinc/96/70/45/573967045.db2.gz OXDSQHOYGFTGSW-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CN(Cc1cc(C[NH3+])co1)C1CCC1 127894664 573967197 /nfs/dbraw/zinc/96/71/97/573967197.db2.gz XJNSMKNTKNVIBE-UHFFFAOYSA-N 1 3 194.278 1.723 10 0 ADAEHO CC1CCC(N(C)CCC(N)=[NH2+])CC1 42487814 573968274 /nfs/dbraw/zinc/96/82/74/573968274.db2.gz XUFLMKSLGFPIGH-UHFFFAOYSA-N 1 3 197.326 1.823 10 0 ADAEHO CC[C@H](N)CC[NH2+][C@H](C)CC 127803312 573968205 /nfs/dbraw/zinc/96/82/05/573968205.db2.gz CZHORHLCFJZRCW-BDAKNGLRSA-N 1 3 158.289 1.502 10 0 ADAEHO CC[C@@H](N)[C@H](C)[N@H+](C)[C@@H](C)COC 42518083 573968233 /nfs/dbraw/zinc/96/82/33/573968233.db2.gz ARGNSYGQYXHRPW-LPEHRKFASA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@@H](N)[C@H](C)[N@@H+](C)[C@@H](C)COC 42518083 573968237 /nfs/dbraw/zinc/96/82/37/573968237.db2.gz ARGNSYGQYXHRPW-LPEHRKFASA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)CC1CC1 127798935 573968397 /nfs/dbraw/zinc/96/83/97/573968397.db2.gz PJZIFRLPFZTKCB-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C(C)(C)C 127801730 573968613 /nfs/dbraw/zinc/96/86/13/573968613.db2.gz MWVDUPLTRMGCJA-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CCN1CCC[C@@H]([C@]2(C)CCC[NH2+]2)C1 258193131 573968629 /nfs/dbraw/zinc/96/86/29/573968629.db2.gz MVHBTHLOBJJOGP-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](N)CC[NH2+][C@H](C)CC 127802868 573968680 /nfs/dbraw/zinc/96/86/80/573968680.db2.gz CZHORHLCFJZRCW-RKDXNWHRSA-N 1 3 158.289 1.502 10 0 ADAEHO CC(C)C[N@H+](CC[C@H](C)N)C1CC1 42556413 573968728 /nfs/dbraw/zinc/96/87/28/573968728.db2.gz JBDXVJUUSMGHGO-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@@H+](CC[C@H](C)N)C1CC1 42556413 573968732 /nfs/dbraw/zinc/96/87/32/573968732.db2.gz JBDXVJUUSMGHGO-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CN(CC[C@H](C)[NH3+])C1CC1 42556413 573968736 /nfs/dbraw/zinc/96/87/36/573968736.db2.gz JBDXVJUUSMGHGO-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C1CCCC1 127804920 573968765 /nfs/dbraw/zinc/96/87/65/573968765.db2.gz OVUIPUVFMBKOOV-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO CC[C@@H]([NH3+])CCNCc1cccs1 127800273 573968807 /nfs/dbraw/zinc/96/88/07/573968807.db2.gz PWXVPEBPMFHZQD-SECBINFHSA-N 1 3 198.335 1.965 10 0 ADAEHO CC[C@H](N)CC[NH2+][C@@H](C)CC 127803523 573969110 /nfs/dbraw/zinc/96/91/10/573969110.db2.gz CZHORHLCFJZRCW-IUCAKERBSA-N 1 3 158.289 1.502 10 0 ADAEHO CC(C)CN(CC[C@@H](C)[NH3+])C1CC1 42556410 573970135 /nfs/dbraw/zinc/97/01/35/573970135.db2.gz JBDXVJUUSMGHGO-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1=CC[C@H](C(C)C)[C@H](N)[C@@H]1[NH3+] 238227494 573970183 /nfs/dbraw/zinc/97/01/83/573970183.db2.gz XMBMJZXXXHJSRA-BBBLOLIVSA-N 1 3 168.284 1.263 10 0 ADAEHO CCCC[NH2+]CC[C@H](N)CC 127806573 573970190 /nfs/dbraw/zinc/97/01/90/573970190.db2.gz VKRCJTXYKQSIOO-SECBINFHSA-N 1 3 158.289 1.504 10 0 ADAEHO CC(C)CN(C1CC1)[C@@H](C)CC(N)=[NH2+] 42557513 573970248 /nfs/dbraw/zinc/97/02/48/573970248.db2.gz ISBPIXPWUDMMRR-VIFPVBQESA-N 1 3 197.326 1.821 10 0 ADAEHO CC[C@H](N)CC[NH2+]C1CCCC1 127804690 573970326 /nfs/dbraw/zinc/97/03/26/573970326.db2.gz OVUIPUVFMBKOOV-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO CC[C@H](N)CC[NH2+]C(C)(C)C 127801518 573970377 /nfs/dbraw/zinc/97/03/77/573970377.db2.gz MWVDUPLTRMGCJA-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H](CN)[C@@H]1C 238228466 573970381 /nfs/dbraw/zinc/97/03/81/573970381.db2.gz SANHYRYMNUIVLD-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CCCC[C@@H](CN)[C@@H]1C 238228466 573970388 /nfs/dbraw/zinc/97/03/88/573970388.db2.gz SANHYRYMNUIVLD-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[NH2+]CC[C@@H](N)CC 127806773 573970401 /nfs/dbraw/zinc/97/04/01/573970401.db2.gz VKRCJTXYKQSIOO-VIFPVBQESA-N 1 3 158.289 1.504 10 0 ADAEHO CC(C)C[N@@H+](C1CC1)[C@H](C)CCN 42554693 573970512 /nfs/dbraw/zinc/97/05/12/573970512.db2.gz QEWNDTMDLBFKRX-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@H+](C1CC1)[C@H](C)CCN 42554693 573970518 /nfs/dbraw/zinc/97/05/18/573970518.db2.gz QEWNDTMDLBFKRX-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN1CCC[C@H]([C@]2(C)CCC[NH2+]2)C1 258193140 573970523 /nfs/dbraw/zinc/97/05/23/573970523.db2.gz MVHBTHLOBJJOGP-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](N)CC[NH2+]CC(C)(C)C 127808451 573970548 /nfs/dbraw/zinc/97/05/48/573970548.db2.gz DLTQEMPURPIFCK-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)C[N@@H+](C1CC1)[C@@H](C)CCN 42554690 573970685 /nfs/dbraw/zinc/97/06/85/573970685.db2.gz QEWNDTMDLBFKRX-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@H+](C1CC1)[C@@H](C)CCN 42554690 573970688 /nfs/dbraw/zinc/97/06/88/573970688.db2.gz QEWNDTMDLBFKRX-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CNCc1cc2ccc(C[NH3+])cc2o1 258193388 573970825 /nfs/dbraw/zinc/97/08/25/573970825.db2.gz ZRFDUAGCZFCMRN-UHFFFAOYSA-N 1 3 190.246 1.611 10 0 ADAEHO CC[C@H]([NH3+])CCNCc1cccs1 127800055 573970960 /nfs/dbraw/zinc/97/09/60/573970960.db2.gz PWXVPEBPMFHZQD-VIFPVBQESA-N 1 3 198.335 1.965 10 0 ADAEHO CCN1CCC[C@@H]([C@@]2(C)CCC[NH2+]2)C1 258193145 573971292 /nfs/dbraw/zinc/97/12/92/573971292.db2.gz MVHBTHLOBJJOGP-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN1CCC[C@H]([C@@]2(C)CCC[NH2+]2)C1 258193135 573971575 /nfs/dbraw/zinc/97/15/75/573971575.db2.gz MVHBTHLOBJJOGP-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CN([C@@H](C)CC[NH3+])CCS1 123262929 573971579 /nfs/dbraw/zinc/97/15/79/573971579.db2.gz XVEAQXQYUHOPQM-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC1=CC[C@H](C(C)C)[C@@H](N)[C@@H]1[NH3+] 238227484 573971879 /nfs/dbraw/zinc/97/18/79/573971879.db2.gz XMBMJZXXXHJSRA-OPRDCNLKSA-N 1 3 168.284 1.263 10 0 ADAEHO CC[N@@H+]1CCCC[C@H](CN)[C@@H]1C 238228883 573975543 /nfs/dbraw/zinc/97/55/43/573975543.db2.gz SANHYRYMNUIVLD-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CCCC[C@H](CN)[C@@H]1C 238228883 573975546 /nfs/dbraw/zinc/97/55/46/573975546.db2.gz SANHYRYMNUIVLD-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO NC[C@H](C[NH2+]C1CCC1)C1CC1 258193953 573977212 /nfs/dbraw/zinc/97/72/12/573977212.db2.gz JAFAGGXLYBUGPC-SECBINFHSA-N 1 3 168.284 1.113 10 0 ADAEHO NC(=[NH2+])CCN(CC1CC1)C1CC1 42548121 573977221 /nfs/dbraw/zinc/97/72/21/573977221.db2.gz WZGSBEAGTJXCBJ-UHFFFAOYSA-N 1 3 181.283 1.187 10 0 ADAEHO C[NH2+]C[C@@H]1CN(C)CCC1(C)C 259255668 573978947 /nfs/dbraw/zinc/97/89/47/573978947.db2.gz MRKUJBNSRIRFBI-SECBINFHSA-N 1 3 170.300 1.184 10 0 ADAEHO CC(C)CN(CCC(N)=[NH2+])C1CC1 42547895 573979173 /nfs/dbraw/zinc/97/91/73/573979173.db2.gz JVLMLVNYTGIBHW-UHFFFAOYSA-N 1 3 183.299 1.433 10 0 ADAEHO CC(C)C[C@@H](C)[N@H+](C)C[C@@H](C)CN 42562720 573979259 /nfs/dbraw/zinc/97/92/59/573979259.db2.gz UYNDTXDJXVEHHJ-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)CN 42562720 573979261 /nfs/dbraw/zinc/97/92/61/573979261.db2.gz UYNDTXDJXVEHHJ-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[N@H+](C[C@H](C)CN)C1CC1 42554564 573979417 /nfs/dbraw/zinc/97/94/17/573979417.db2.gz UCZJFXKFPILCAQ-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C[C@H](C)CN)C1CC1 42554564 573979419 /nfs/dbraw/zinc/97/94/19/573979419.db2.gz UCZJFXKFPILCAQ-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCC[C@@H]1[N@@H+](C)CC[C@@H](C)N 715104010 573981046 /nfs/dbraw/zinc/98/10/46/573981046.db2.gz AVPHGNDMEDEQID-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCC[C@@H]1[N@H+](C)CC[C@@H](C)N 715104010 573981049 /nfs/dbraw/zinc/98/10/49/573981049.db2.gz AVPHGNDMEDEQID-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H]1CN(C)C1CCC1 127832587 573980528 /nfs/dbraw/zinc/98/05/28/573980528.db2.gz XVXXWROBORHMJJ-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H]1CN(C)C1CCC1 127832108 573980547 /nfs/dbraw/zinc/98/05/47/573980547.db2.gz XVXXWROBORHMJJ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]([NH3+])CCNCCc1ccco1 127833642 573981108 /nfs/dbraw/zinc/98/11/08/573981108.db2.gz JUIDXLSSANWECX-SNVBAGLBSA-N 1 3 196.294 1.539 10 0 ADAEHO CC[C@H](C)[N@@H+](CCCN)CCOC 42562866 573982256 /nfs/dbraw/zinc/98/22/56/573982256.db2.gz WYKCIUDDRGZFOZ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@H]1CCC[C@H]1[N@@H+](C)CC[C@@H](C)N 715104014 573981162 /nfs/dbraw/zinc/98/11/62/573981162.db2.gz AVPHGNDMEDEQID-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCC[C@H]1[N@H+](C)CC[C@@H](C)N 715104014 573981165 /nfs/dbraw/zinc/98/11/65/573981165.db2.gz AVPHGNDMEDEQID-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H]([NH3+])CCNCCc1ccco1 127833435 573981235 /nfs/dbraw/zinc/98/12/35/573981235.db2.gz JUIDXLSSANWECX-JTQLQIEISA-N 1 3 196.294 1.539 10 0 ADAEHO CC(C)[N@H+](CC[C@H](C)N)CC1CC1 42581851 573981323 /nfs/dbraw/zinc/98/13/23/573981323.db2.gz LMKYZYZIYMJWOX-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](CC[C@H](C)N)CC1CC1 42581851 573981328 /nfs/dbraw/zinc/98/13/28/573981328.db2.gz LMKYZYZIYMJWOX-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](N)CC[NH2+]C(C1CC1)C1CC1 127833932 573981505 /nfs/dbraw/zinc/98/15/05/573981505.db2.gz ILDCBVMQRTWVJZ-NSHDSACASA-N 1 3 196.338 1.892 10 0 ADAEHO COc1ccc([C@@H](N)CC[NH3+])cc1C 259257435 573981578 /nfs/dbraw/zinc/98/15/78/573981578.db2.gz IKXICNFJKXTMJN-JTQLQIEISA-N 1 3 194.278 1.352 10 0 ADAEHO CC[C@@H](C)N(CCC[NH3+])CCOC 42562864 573981629 /nfs/dbraw/zinc/98/16/29/573981629.db2.gz WYKCIUDDRGZFOZ-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](C)[N@H+](CCCN)CCOC 42562864 573981632 /nfs/dbraw/zinc/98/16/32/573981632.db2.gz WYKCIUDDRGZFOZ-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](C)[N@@H+](CCCN)CCOC 42562864 573981635 /nfs/dbraw/zinc/98/16/35/573981635.db2.gz WYKCIUDDRGZFOZ-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](N)CC1(C)C 259257755 573981682 /nfs/dbraw/zinc/98/16/82/573981682.db2.gz FNBHUWDCLBSWQQ-VIFPVBQESA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](N)CC1(C)C 259257755 573981684 /nfs/dbraw/zinc/98/16/84/573981684.db2.gz FNBHUWDCLBSWQQ-VIFPVBQESA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])CC1(C)C 259257755 573981689 /nfs/dbraw/zinc/98/16/89/573981689.db2.gz FNBHUWDCLBSWQQ-VIFPVBQESA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)C[C@H](C)CN 42563228 573981711 /nfs/dbraw/zinc/98/17/11/573981711.db2.gz ZSHWPLPDXVDVDS-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@H+](CC1CC1)C[C@H](C)CN 42563228 573981718 /nfs/dbraw/zinc/98/17/18/573981718.db2.gz ZSHWPLPDXVDVDS-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO C#[N+]c1ccc([C@@](C)(N)CO)cc1 104450694 573983200 /nfs/dbraw/zinc/98/32/00/573983200.db2.gz DXSQRXROZVTDKU-JTQLQIEISA-N 1 3 176.219 1.404 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)[C@@H]1CCC[C@H]1C 715104012 573981818 /nfs/dbraw/zinc/98/18/18/573981818.db2.gz AVPHGNDMEDEQID-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)[C@@H]1CCC[C@H]1C 715104012 573981821 /nfs/dbraw/zinc/98/18/21/573981821.db2.gz AVPHGNDMEDEQID-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)[C@H]1CCC[C@H]1C 715104132 573981969 /nfs/dbraw/zinc/98/19/69/573981969.db2.gz AVPHGNDMEDEQID-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)[C@H]1CCC[C@H]1C 715104132 573981973 /nfs/dbraw/zinc/98/19/73/573981973.db2.gz AVPHGNDMEDEQID-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)[C@@H](C)COC 127829956 573982204 /nfs/dbraw/zinc/98/22/04/573982204.db2.gz PGWHLEBMVKHYLF-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](C)N(CCC[NH3+])CCOC 42562866 573982247 /nfs/dbraw/zinc/98/22/47/573982247.db2.gz WYKCIUDDRGZFOZ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@H](C)[N@H+](CCCN)CCOC 42562866 573982252 /nfs/dbraw/zinc/98/22/52/573982252.db2.gz WYKCIUDDRGZFOZ-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCN1CCC[NH2+]C(C)(C)CC1 259257640 573982291 /nfs/dbraw/zinc/98/22/91/573982291.db2.gz FLZHEGCDTCSTSY-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)[N@H+](CC1CC1)[C@@H](C)CCN 42563303 573982340 /nfs/dbraw/zinc/98/23/40/573982340.db2.gz LNUOBRDFUUJEIX-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)[C@@H](C)CCN 42563303 573982345 /nfs/dbraw/zinc/98/23/45/573982345.db2.gz LNUOBRDFUUJEIX-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)[C@@H](C)COC 127830182 573982541 /nfs/dbraw/zinc/98/25/41/573982541.db2.gz PGWHLEBMVKHYLF-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC(C)C[N@H+](C[C@H](C)CN)C(C)C 42563027 573982741 /nfs/dbraw/zinc/98/27/41/573982741.db2.gz UHNAQYYJMFIZNA-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[N@@H+](C[C@H](C)CN)C(C)C 42563027 573982744 /nfs/dbraw/zinc/98/27/44/573982744.db2.gz UHNAQYYJMFIZNA-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H]([NH3+])CCN(CC)CCOC 127828022 573982745 /nfs/dbraw/zinc/98/27/45/573982745.db2.gz NJYOEEYHXNRRQI-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC(C)C[N@H+](C[C@@H](C)CN)C(C)C 42563025 573982805 /nfs/dbraw/zinc/98/28/05/573982805.db2.gz UHNAQYYJMFIZNA-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[N@@H+](C[C@@H](C)CN)C(C)C 42563025 573982808 /nfs/dbraw/zinc/98/28/08/573982808.db2.gz UHNAQYYJMFIZNA-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1CN(C)C1CCC1 127831901 573982936 /nfs/dbraw/zinc/98/29/36/573982936.db2.gz XVXXWROBORHMJJ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1CN(C)C1CCC1 127832400 573982958 /nfs/dbraw/zinc/98/29/58/573982958.db2.gz XVXXWROBORHMJJ-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H](C2(N)CCC2)C1 258194860 573983135 /nfs/dbraw/zinc/98/31/35/573983135.db2.gz YVNANHXHCZSCGW-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H](C2(N)CCC2)C1 258194860 573983140 /nfs/dbraw/zinc/98/31/40/573983140.db2.gz YVNANHXHCZSCGW-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)N1CCC[C@@H](C2([NH3+])CCC2)C1 258194860 573983143 /nfs/dbraw/zinc/98/31/43/573983143.db2.gz YVNANHXHCZSCGW-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](N)c1ccccc1 259259618 573987894 /nfs/dbraw/zinc/98/78/94/573987894.db2.gz GSOOJMPNUFKBQH-ONGXEEELSA-N 1 3 178.279 1.671 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](N)c1ccccc1 87645766 573989904 /nfs/dbraw/zinc/98/99/04/573989904.db2.gz UAMKLRDJWTWGBE-PSASIEDQSA-N 1 3 164.252 1.281 10 0 ADAEHO CCCCC[C@@](C)(N)C[NH3+] 87648304 573990075 /nfs/dbraw/zinc/99/00/75/573990075.db2.gz AEUIDVKRNGKFDY-MRVPVSSYSA-N 1 3 144.262 1.243 10 0 ADAEHO CCCc1ccc([C@@H](N)CC[NH3+])cc1 259260332 573990016 /nfs/dbraw/zinc/99/00/16/573990016.db2.gz INIGGAPPCLEOJZ-LBPRGKRZSA-N 1 3 192.306 1.988 10 0 ADAEHO CC[NH2+]CC[C@H](C)N(C)C1CCC1 127921834 573993370 /nfs/dbraw/zinc/99/33/70/573993370.db2.gz WZPZBXSTAHRELS-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCNCC[C@H](C)[N@H+](C)C1CCC1 127921834 573993373 /nfs/dbraw/zinc/99/33/73/573993373.db2.gz WZPZBXSTAHRELS-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CC([NH2+]C2CC(N)C2)C[C@@H](C)C1 87652029 573993307 /nfs/dbraw/zinc/99/33/07/573993307.db2.gz ALDQSOMBSABBMZ-RKVXJDFWSA-N 1 3 196.338 1.890 10 0 ADAEHO CCNCC[C@H](C)[N@@H+](C)C1CCC1 127921834 573993379 /nfs/dbraw/zinc/99/33/79/573993379.db2.gz WZPZBXSTAHRELS-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@H+](C)C1CCC1 127919794 573993337 /nfs/dbraw/zinc/99/33/37/573993337.db2.gz OURXWXGPQPGQHM-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H](C)[C@H](C)[N@@H+](C)C1CCC1 127919794 573993342 /nfs/dbraw/zinc/99/33/42/573993342.db2.gz OURXWXGPQPGQHM-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@H](C)N(C)C1CCC1 127919794 573993350 /nfs/dbraw/zinc/99/33/50/573993350.db2.gz OURXWXGPQPGQHM-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H](C[NH2+][C@@H](C)C1CNC1)C1CCC1 686252143 573993248 /nfs/dbraw/zinc/99/32/48/573993248.db2.gz DVHFZXVWFOTGMI-ZJUUUORDSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]([NH2+]C1CC(N)C1)C1CCCC1 87651980 573994346 /nfs/dbraw/zinc/99/43/46/573994346.db2.gz QXTPPSKTWKTLFD-PUSIOWJLSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@H](N)CC[NH2+]C[C@@H](C)C(C)C 127911603 573994095 /nfs/dbraw/zinc/99/40/95/573994095.db2.gz LXWCDMLIYYOINF-MNOVXSKESA-N 1 3 186.343 1.996 10 0 ADAEHO CC(C)[C@@H](C)[NH2+]C1CC(N)C1 87651304 573994163 /nfs/dbraw/zinc/99/41/63/573994163.db2.gz AQMAGNUIEJVWNS-AFPNSQJFSA-N 1 3 156.273 1.110 10 0 ADAEHO NC1CC([NH2+]C2CCCC2)C1 87651040 573994210 /nfs/dbraw/zinc/99/42/10/573994210.db2.gz SPLJPAMGQRBYAN-UHFFFAOYSA-N 1 3 154.257 1.008 10 0 ADAEHO [NH3+]C1CC(NC2CCCC2)C1 87651040 573994212 /nfs/dbraw/zinc/99/42/12/573994212.db2.gz SPLJPAMGQRBYAN-UHFFFAOYSA-N 1 3 154.257 1.008 10 0 ADAEHO C[C@H]1CC([NH2+]C2CC(N)C2)C[C@H](C)C1 87652030 573994246 /nfs/dbraw/zinc/99/42/46/573994246.db2.gz ALDQSOMBSABBMZ-XTQFYOIMSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652052 573994380 /nfs/dbraw/zinc/99/43/80/573994380.db2.gz CXDCRTBLGPXLAC-GQYKCQBRSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](N)c1ccc(C)cc1 259262086 573994414 /nfs/dbraw/zinc/99/44/14/573994414.db2.gz GVHVPBWAJRKNQK-ZYHUDNBSSA-N 1 3 192.306 1.980 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)[C@H](C)C1 87651974 573994544 /nfs/dbraw/zinc/99/45/44/573994544.db2.gz QXYFBOXZBMADEY-PSEORLGDSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](c1cc[nH]c1)N(C)C 259264550 573997401 /nfs/dbraw/zinc/99/74/01/573997401.db2.gz BUOVWWRLBLFKMR-KOLCDFICSA-N 1 3 195.310 1.602 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@H+](C)C1CCC1 127919150 573997405 /nfs/dbraw/zinc/99/74/05/573997405.db2.gz OURXWXGPQPGQHM-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127919150 573997410 /nfs/dbraw/zinc/99/74/10/573997410.db2.gz OURXWXGPQPGQHM-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+]C[C@H](C)[C@@H](C)N(C)C1CCC1 127919150 573997414 /nfs/dbraw/zinc/99/74/14/573997414.db2.gz OURXWXGPQPGQHM-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)C1CCC1 127919608 573998460 /nfs/dbraw/zinc/99/84/60/573998460.db2.gz OURXWXGPQPGQHM-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]([NH2+]C1CC(N)C1)C1CCCC1 87651981 573997439 /nfs/dbraw/zinc/99/74/39/573997439.db2.gz QXTPPSKTWKTLFD-MFAVDMRSSA-N 1 3 182.311 1.644 10 0 ADAEHO C[NH2+][C@@H](c1sccc1C)C1CNC1 259265882 574000297 /nfs/dbraw/zinc/00/02/97/574000297.db2.gz HTEJPPXECMJSSX-SECBINFHSA-N 1 3 196.319 1.536 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(N)C1 87651932 573996061 /nfs/dbraw/zinc/99/60/61/573996061.db2.gz QDILKDNDBMGHFM-WOOKNIGNSA-N 1 3 168.284 1.254 10 0 ADAEHO CC[NH2+]CC[C@@H](C)N(C)C1CCC1 127921637 573996121 /nfs/dbraw/zinc/99/61/21/573996121.db2.gz WZPZBXSTAHRELS-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNCC[C@@H](C)[N@H+](C)C1CCC1 127921637 573996124 /nfs/dbraw/zinc/99/61/24/573996124.db2.gz WZPZBXSTAHRELS-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNCC[C@@H](C)[N@@H+](C)C1CCC1 127921637 573996129 /nfs/dbraw/zinc/99/61/29/573996129.db2.gz WZPZBXSTAHRELS-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH2+]C1CC(N)C1 87651935 573996137 /nfs/dbraw/zinc/99/61/37/573996137.db2.gz QDILKDNDBMGHFM-AUXWQGHOSA-N 1 3 168.284 1.254 10 0 ADAEHO NC1CC([NH2+]C[C@@H]2CC=CCC2)C1 87651832 573996162 /nfs/dbraw/zinc/99/61/62/573996162.db2.gz SQBDEMCRHUWUPB-KPPDAEKUSA-N 1 3 180.295 1.422 10 0 ADAEHO NC1CC([NH2+]C[C@H]2CC=CCC2)C1 87651833 573996198 /nfs/dbraw/zinc/99/61/98/573996198.db2.gz SQBDEMCRHUWUPB-WHXUTIOJSA-N 1 3 180.295 1.422 10 0 ADAEHO CC(C)CC[NH2+]C1CC(N)C1 87651093 573996253 /nfs/dbraw/zinc/99/62/53/573996253.db2.gz DECYCMTWWWLFNA-UHFFFAOYSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)CCNC1CC([NH3+])C1 87651093 573996257 /nfs/dbraw/zinc/99/62/57/573996257.db2.gz DECYCMTWWWLFNA-UHFFFAOYSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH2+]C[C@@]12CCC[C@@H]1C2)C1CNC1 686251916 573996306 /nfs/dbraw/zinc/99/63/06/573996306.db2.gz ZPDLKSWYTVTOSA-WCQGTBRESA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652046 573996335 /nfs/dbraw/zinc/99/63/35/573996335.db2.gz MTEZLXWZMNSRBF-BHJIFMEASA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]C2CC(N)C2)C1 87651323 573996499 /nfs/dbraw/zinc/99/64/99/573996499.db2.gz OUZXIFGVJNIIGP-VKAADOFISA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CCC[C@H]1[NH2+]C1CC(N)C1 87652156 573996613 /nfs/dbraw/zinc/99/66/13/573996613.db2.gz ICMYSNKZCIEODF-UDNWOFFPSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)C(C[NH2+]C2CC(N)C2)C1(C)C 87652146 573996749 /nfs/dbraw/zinc/99/67/49/573996749.db2.gz RTBAXZMEFSQRPE-UHFFFAOYSA-N 1 3 196.338 1.748 10 0 ADAEHO CC1(C)C(CNC2CC([NH3+])C2)C1(C)C 87652146 573996752 /nfs/dbraw/zinc/99/67/52/573996752.db2.gz RTBAXZMEFSQRPE-UHFFFAOYSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@H](CC[NH3+])[C@H](N)c1ccccn1 259265931 573996760 /nfs/dbraw/zinc/99/67/60/573996760.db2.gz ITKRXCADCXWWKC-SCZZXKLOSA-N 1 3 179.267 1.066 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C[C@H](C)C(C)C 127912292 573997138 /nfs/dbraw/zinc/99/71/38/573997138.db2.gz LXWCDMLIYYOINF-WDEREUQCSA-N 1 3 186.343 1.996 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(N)C1 87651129 573996772 /nfs/dbraw/zinc/99/67/72/573996772.db2.gz WRVHHBSVGODFGS-SFXRXQKFSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@H](C)NC1CC([NH3+])C1 87651058 573997141 /nfs/dbraw/zinc/99/71/41/573997141.db2.gz UXYULRAREBZLAK-UEJVZZJDSA-N 1 3 156.273 1.254 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652048 573996811 /nfs/dbraw/zinc/99/68/11/573996811.db2.gz MTEZLXWZMNSRBF-NBQXLRJMSA-N 1 3 182.311 1.500 10 0 ADAEHO CC1CCC(C[NH2+]C2CC(N)C2)CC1 87651928 573996854 /nfs/dbraw/zinc/99/68/54/573996854.db2.gz KXHULQBYMYSJQY-UHFFFAOYSA-N 1 3 196.338 1.892 10 0 ADAEHO [NH3+]C1CC(N[C@H]2CC=CCC2)C1 87652095 573997374 /nfs/dbraw/zinc/99/73/74/573997374.db2.gz LFPKQTFSVRDFIK-KYHHOPLUSA-N 1 3 166.268 1.174 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)C1CCC1 127913362 573996931 /nfs/dbraw/zinc/99/69/31/573996931.db2.gz XGWVKQGBGLCMBI-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H](C)[NH2+]C1CC(N)C1 87651305 573996936 /nfs/dbraw/zinc/99/69/36/573996936.db2.gz AQMAGNUIEJVWNS-UEJVZZJDSA-N 1 3 156.273 1.110 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)C1CCC1 127913362 573996937 /nfs/dbraw/zinc/99/69/37/573996937.db2.gz XGWVKQGBGLCMBI-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 87651153 573996948 /nfs/dbraw/zinc/99/69/48/573996948.db2.gz WINKIMIFSMKRIM-PSEORLGDSA-N 1 3 196.338 1.890 10 0 ADAEHO CCC[C@H](C)[NH2+]C1CC(N)C1 87651058 573997134 /nfs/dbraw/zinc/99/71/34/573997134.db2.gz UXYULRAREBZLAK-UEJVZZJDSA-N 1 3 156.273 1.254 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@H+](C)C1CCC1 127919346 573997176 /nfs/dbraw/zinc/99/71/76/573997176.db2.gz OURXWXGPQPGQHM-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127919346 573997181 /nfs/dbraw/zinc/99/71/81/573997181.db2.gz OURXWXGPQPGQHM-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 87651155 573997182 /nfs/dbraw/zinc/99/71/82/573997182.db2.gz WINKIMIFSMKRIM-GQYKCQBRSA-N 1 3 196.338 1.890 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@@H](C)N(C)C1CCC1 127919346 573997185 /nfs/dbraw/zinc/99/71/85/573997185.db2.gz OURXWXGPQPGQHM-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO NC1CC([NH2+][C@@H]2CC=CCC2)C1 87652094 573997207 /nfs/dbraw/zinc/99/72/07/573997207.db2.gz LFPKQTFSVRDFIK-HWOCKDDLSA-N 1 3 166.268 1.174 10 0 ADAEHO [NH3+]C1CC(N[C@@H]2CC=CCC2)C1 87652094 573997212 /nfs/dbraw/zinc/99/72/12/573997212.db2.gz LFPKQTFSVRDFIK-HWOCKDDLSA-N 1 3 166.268 1.174 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[NH2+]C1CC(N)C1 87651131 573997286 /nfs/dbraw/zinc/99/72/86/573997286.db2.gz WRVHHBSVGODFGS-AGVGLQIMSA-N 1 3 182.311 1.644 10 0 ADAEHO NC1CC([NH2+][C@H]2CC=CCC2)C1 87652095 573997371 /nfs/dbraw/zinc/99/73/71/573997371.db2.gz LFPKQTFSVRDFIK-KYHHOPLUSA-N 1 3 166.268 1.174 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H](C)N(C)C1CCC1 127919608 573998463 /nfs/dbraw/zinc/99/84/63/573998463.db2.gz OURXWXGPQPGQHM-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[C@H](C)N(C)C1CC([NH3+])C1 87653228 573999294 /nfs/dbraw/zinc/99/92/94/573999294.db2.gz BFDPIGRQJAFIPP-IDKOKCKLSA-N 1 3 170.300 1.452 10 0 ADAEHO C[C@@H]1CCCN(C2CC([NH3+])C2)CC1 87653555 573998406 /nfs/dbraw/zinc/99/84/06/573998406.db2.gz OHMPQIWSNMBGNI-KPPDAEKUSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@H](N(C)C2CC([NH3+])C2)C1 87653336 573998426 /nfs/dbraw/zinc/99/84/26/573998426.db2.gz HJTSDKGZLLPBHN-ZYGVAYEYSA-N 1 3 196.338 1.987 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)C1CCC1 127919608 573998455 /nfs/dbraw/zinc/99/84/55/573998455.db2.gz OURXWXGPQPGQHM-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C[C@@H](C)C(C)C 127911836 573998563 /nfs/dbraw/zinc/99/85/63/573998563.db2.gz LXWCDMLIYYOINF-GHMZBOCLSA-N 1 3 186.343 1.996 10 0 ADAEHO CCCN(CC)C1CC([NH3+])C1 87653192 573998803 /nfs/dbraw/zinc/99/88/03/573998803.db2.gz CHGOVMQIXHUPBQ-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1CCCN(C2CC([NH3+])C2)[C@@H]1C 87653470 573998874 /nfs/dbraw/zinc/99/88/74/573998874.db2.gz JIJIVXKFIGKKRC-NKVNRFPTSA-N 1 3 182.311 1.597 10 0 ADAEHO CCC1(C)CC[NH+](C2CC(N)C2)CC1 87653520 573998883 /nfs/dbraw/zinc/99/88/83/573998883.db2.gz IPDKBVCBBPBOAU-UHFFFAOYSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1(C)CCN(C2CC([NH3+])C2)CC1 87653520 573998884 /nfs/dbraw/zinc/99/88/84/573998884.db2.gz IPDKBVCBBPBOAU-UHFFFAOYSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[C@@H](C)N(C)C1CC([NH3+])C1 87653227 573999087 /nfs/dbraw/zinc/99/90/87/573999087.db2.gz BFDPIGRQJAFIPP-XNWIYYODSA-N 1 3 170.300 1.452 10 0 ADAEHO C[C@@H]1CC[C@@H](C)N(C2CC([NH3+])C2)C1 87653611 573999231 /nfs/dbraw/zinc/99/92/31/573999231.db2.gz UGKZXUBEFICHCO-NKVNRFPTSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CCN(C2CC([NH3+])C2)[C@H](C)C1 87653477 573999386 /nfs/dbraw/zinc/99/93/86/573999386.db2.gz OATVCPQQGRGSFK-IZUQBHJASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CCCN(C2CC([NH3+])C2)C1 87653134 573999648 /nfs/dbraw/zinc/99/96/48/573999648.db2.gz NDQJHARQTRDPTK-IDKOKCKLSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H](N(C)C1CC([NH3+])C1)C(C)(C)C 87653425 573999670 /nfs/dbraw/zinc/99/96/70/573999670.db2.gz MTJRLEDSYVIGCN-XNWIYYODSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC1CCN(C2CC([NH3+])C2)CC1 87653312 573999882 /nfs/dbraw/zinc/99/98/82/573999882.db2.gz NNEVRMGKDIEAMV-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1CC[NH+](C2CC(N)C2)CC1 87653312 573999889 /nfs/dbraw/zinc/99/98/89/573999889.db2.gz NNEVRMGKDIEAMV-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](c1cc[nH]c1)N(C)C 259264557 573999951 /nfs/dbraw/zinc/99/99/51/573999951.db2.gz BUOVWWRLBLFKMR-ONGXEEELSA-N 1 3 195.310 1.602 10 0 ADAEHO CC[C@@H]1CCCCN1C1CC([NH3+])C1 87653189 574000094 /nfs/dbraw/zinc/00/00/94/574000094.db2.gz AVMDXVLHGTZBOX-HSOILSAZSA-N 1 3 182.311 1.741 10 0 ADAEHO CN(C1CCCC1)C1CC([NH3+])C1 87653191 574000157 /nfs/dbraw/zinc/00/01/57/574000157.db2.gz SZGOFKCXFXOXOL-UHFFFAOYSA-N 1 3 168.284 1.351 10 0 ADAEHO C[NH2+]CC[C@@H](CC(C)C)N(C)C 82291736 574000231 /nfs/dbraw/zinc/00/02/31/574000231.db2.gz MNNTTZUFROUNHS-JTQLQIEISA-N 1 3 172.316 1.572 10 0 ADAEHO CCC1(CC)CCN(C2CC([NH3+])C2)C1 87653662 574001677 /nfs/dbraw/zinc/00/16/77/574001677.db2.gz ATLXRKSPYPPGOP-UHFFFAOYSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@H](C)N(C2CC([NH3+])C2)C1 87653610 574001712 /nfs/dbraw/zinc/00/17/12/574001712.db2.gz UGKZXUBEFICHCO-SAAXCQNUSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@H]1CCCN(C2CC([NH3+])C2)CC1 87653585 574001747 /nfs/dbraw/zinc/00/17/47/574001747.db2.gz MZMZVUQCZFGDAC-UNXYVOJBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N(C)C1CC([NH3+])C1)C(C)(C)C 87653424 574001796 /nfs/dbraw/zinc/00/17/96/574001796.db2.gz MTJRLEDSYVIGCN-IDKOKCKLSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@@]12CCC[C@@H]1C2 715112896 574001811 /nfs/dbraw/zinc/00/18/11/574001811.db2.gz OGGYLEAIPOEZLR-MXWKQRLJSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1CCCCN1C1CC([NH3+])C1 87653127 574001866 /nfs/dbraw/zinc/00/18/66/574001866.db2.gz JFTAKNJSVKSYFK-XNWIYYODSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1CC[C@@H](C)N(C2CC([NH3+])C2)C1 87653612 574001916 /nfs/dbraw/zinc/00/19/16/574001916.db2.gz UGKZXUBEFICHCO-IZUQBHJASA-N 1 3 182.311 1.597 10 0 ADAEHO CSC(=N)C1CC[NH+](C)CC1 259267002 574002026 /nfs/dbraw/zinc/00/20/26/574002026.db2.gz QTPKNUHQBRGWKM-UHFFFAOYSA-N 1 3 172.297 1.668 10 0 ADAEHO C[C@H]1CCC[C@@H](N(C)C2CC([NH3+])C2)C1 87653339 574002114 /nfs/dbraw/zinc/00/21/14/574002114.db2.gz HJTSDKGZLLPBHN-UZEXVOJHSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1CCC[C@H](N(C)C2CC([NH3+])C2)C1 87653337 574002224 /nfs/dbraw/zinc/00/22/24/574002224.db2.gz HJTSDKGZLLPBHN-VOBJUBJWSA-N 1 3 196.338 1.987 10 0 ADAEHO CC1CCC(N(C)C2CC([NH3+])C2)CC1 87653327 574002246 /nfs/dbraw/zinc/00/22/46/574002246.db2.gz LOVYZWLWXIHXNT-UHFFFAOYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H](C)CN(C2CC([NH3+])C2)C1 87653152 574002310 /nfs/dbraw/zinc/00/23/10/574002310.db2.gz JWKQPNBIKIULPK-NKVNRFPTSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)C[C@@H](N)[C@H]([NH3+])C(C)(C)C1 238238536 574003175 /nfs/dbraw/zinc/00/31/75/574003175.db2.gz PDGZSEPWDXNGJA-SFYZADRCSA-N 1 3 170.300 1.487 10 0 ADAEHO CNC(C)(C)[C@@H]([NH3+])C1CCCCC1 259271468 574009054 /nfs/dbraw/zinc/00/90/54/574009054.db2.gz IXTJLLAUTJPEED-JTQLQIEISA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@@]12CCCC[C@@H]1C2 715113164 574004465 /nfs/dbraw/zinc/00/44/65/574004465.db2.gz ZCVOFBRCGNNGGR-UTUOFQBUSA-N 1 3 196.338 1.894 10 0 ADAEHO c1cc(NC[C@@H]2CC[NH2+]C2)ccn1 87655393 574006215 /nfs/dbraw/zinc/00/62/15/574006215.db2.gz HTDUNWRZJFTKSL-SECBINFHSA-N 1 3 177.251 1.103 10 0 ADAEHO C[C@H](CC[NH3+])N(C)[C@@H]1CCSC1 48247980 574006416 /nfs/dbraw/zinc/00/64/16/574006416.db2.gz GZZIAANHTGIVGE-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](CCN)[N@H+](C)[C@@H]1CCSC1 48247980 574006421 /nfs/dbraw/zinc/00/64/21/574006421.db2.gz GZZIAANHTGIVGE-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)[C@@H]1CCSC1 48247980 574006425 /nfs/dbraw/zinc/00/64/25/574006425.db2.gz GZZIAANHTGIVGE-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CCN1CC=C(C[C@@H](C)[NH3+])CC1 258199883 574006483 /nfs/dbraw/zinc/00/64/83/574006483.db2.gz UNKMYDZNOGFQTD-SECBINFHSA-N 1 3 168.284 1.376 10 0 ADAEHO CC[N@@H+]1C[C@H](C)[C@@H](N)C[C@@H]1C 238247319 574010178 /nfs/dbraw/zinc/01/01/78/574010178.db2.gz ZVFKPBSZXZYDIX-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@H+]1C[C@H](C)[C@@H](N)C[C@@H]1C 238247319 574010183 /nfs/dbraw/zinc/01/01/83/574010183.db2.gz ZVFKPBSZXZYDIX-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CCN1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238247319 574010187 /nfs/dbraw/zinc/01/01/87/574010187.db2.gz ZVFKPBSZXZYDIX-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@@H+]1C[C@@H](CNC)CCC1(C)C 259272142 574010357 /nfs/dbraw/zinc/01/03/57/574010357.db2.gz GCKKOZOAAQLPSC-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1C[C@@H](CNC)CCC1(C)C 259272142 574010363 /nfs/dbraw/zinc/01/03/63/574010363.db2.gz GCKKOZOAAQLPSC-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1C[C@@H](C[NH2+]C)CCC1(C)C 259272142 574010367 /nfs/dbraw/zinc/01/03/67/574010367.db2.gz GCKKOZOAAQLPSC-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C 238246734 574010509 /nfs/dbraw/zinc/01/05/09/574010509.db2.gz JYXUVZJCKDNVNU-IWSPIJDZSA-N 1 3 156.273 1.125 10 0 ADAEHO CN(Cc1ccco1)C[C@@H]1C[C@@H]1C[NH3+] 715117021 574010553 /nfs/dbraw/zinc/01/05/53/574010553.db2.gz YPVQWLZEQCOCDH-ZJUUUORDSA-N 1 3 194.278 1.306 10 0 ADAEHO NC[C@H](C[NH+]1CCCC1)C1CCCC1 258465970 574012496 /nfs/dbraw/zinc/01/24/96/574012496.db2.gz YCLPVAKRWZVKAH-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CCCN1C[C@H]2C[NH+](C3CC3)C[C@@H]2C1 585382259 574012764 /nfs/dbraw/zinc/01/27/64/574012764.db2.gz KWYHYKBEBJYERC-QWRGUYRKSA-N 1 3 194.322 1.422 10 0 ADAEHO CCCN1C[C@@H]2C[NH+](C3CC3)C[C@H]2C1 585382257 574013842 /nfs/dbraw/zinc/01/38/42/574013842.db2.gz KWYHYKBEBJYERC-GHMZBOCLSA-N 1 3 194.322 1.422 10 0 ADAEHO CC(C)N1C[C@@H]2C[NH+](C3CC3)C[C@H]2C1 585382035 574015689 /nfs/dbraw/zinc/01/56/89/574015689.db2.gz GRWSDHQXPHYPQO-GHMZBOCLSA-N 1 3 194.322 1.421 10 0 ADAEHO CC(C)[NH+]1C[C@@H]2CN(C3CC3)C[C@H]2C1 585382035 574015693 /nfs/dbraw/zinc/01/56/93/574015693.db2.gz GRWSDHQXPHYPQO-GHMZBOCLSA-N 1 3 194.322 1.421 10 0 ADAEHO C[C@@H]([NH3+])CC[C@@H](c1ccc[nH]1)N(C)C 259274131 574017249 /nfs/dbraw/zinc/01/72/49/574017249.db2.gz CCAJNZMBDORKAF-KOLCDFICSA-N 1 3 195.310 1.745 10 0 ADAEHO CC[N@@H+]1C[C@@H](CN)CCC1(C)C 259275039 574017096 /nfs/dbraw/zinc/01/70/96/574017096.db2.gz GHDUUUFOMUSTBC-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1C[C@@H](CN)CCC1(C)C 259275039 574017100 /nfs/dbraw/zinc/01/71/00/574017100.db2.gz GHDUUUFOMUSTBC-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN[C@@H](c1ccc(F)cc1)[C@H](C)C[NH3+] 259277129 574023462 /nfs/dbraw/zinc/02/34/62/574023462.db2.gz HHTDBGUASQSIJP-LDYMZIIASA-N 1 3 196.269 1.681 10 0 ADAEHO CCC[C@@H]([NH3+])C(C)(C)NC 259279227 574023280 /nfs/dbraw/zinc/02/32/80/574023280.db2.gz JDURLJBQKXWTLR-SSDOTTSWSA-N 1 3 144.262 1.112 10 0 ADAEHO CN[C@@H](c1ccc(F)cc1)[C@@H](C)C[NH3+] 259277125 574024527 /nfs/dbraw/zinc/02/45/27/574024527.db2.gz HHTDBGUASQSIJP-GZMMTYOYSA-N 1 3 196.269 1.681 10 0 ADAEHO CNCCC[N@H+](C)[C@@H](C)CC(C)C 42590208 574024743 /nfs/dbraw/zinc/02/47/43/574024743.db2.gz NMRARWKMICMJJI-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H](C)CC(C)C 42590208 574024746 /nfs/dbraw/zinc/02/47/46/574024746.db2.gz NMRARWKMICMJJI-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H](C)CC(C)C 42590208 574024748 /nfs/dbraw/zinc/02/47/48/574024748.db2.gz NMRARWKMICMJJI-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CC1(C)CC[C@@H]([NH+]2CCC(N)CC2)C1 87772841 574027484 /nfs/dbraw/zinc/02/74/84/574027484.db2.gz QMWOFRUUUWKOSX-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[C@@H](N2CCC([NH3+])CC2)C1 87772841 574027486 /nfs/dbraw/zinc/02/74/86/574027486.db2.gz QMWOFRUUUWKOSX-LLVKDONJSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[NH2+]CCNC(C1CC1)C1CC1 49237967 574025785 /nfs/dbraw/zinc/02/57/85/574025785.db2.gz ACIBHTFANIKHEE-UHFFFAOYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)(C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 85282149 574026974 /nfs/dbraw/zinc/02/69/74/574026974.db2.gz LEMYVSUPIRDLNN-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO CN(CCC(N)=[NH2+])CCC(C)(C)C 49254862 574027076 /nfs/dbraw/zinc/02/70/76/574027076.db2.gz LCNXVSBYPIYSPG-UHFFFAOYSA-N 1 3 185.315 1.680 10 0 ADAEHO CC1(C)CC[C@H]([NH+]2CCC(N)CC2)C1 87772840 574027112 /nfs/dbraw/zinc/02/71/12/574027112.db2.gz QMWOFRUUUWKOSX-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[C@H](N2CCC([NH3+])CC2)C1 87772840 574027114 /nfs/dbraw/zinc/02/71/14/574027114.db2.gz QMWOFRUUUWKOSX-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[C@@H](N2CC[C@H]([NH3+])C2)C1 87772859 574027290 /nfs/dbraw/zinc/02/72/90/574027290.db2.gz KOHOZLDMFZOSOO-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CN[C@H](CC[NH3+])c1ccc(F)c(C)c1 259284529 574028503 /nfs/dbraw/zinc/02/85/03/574028503.db2.gz HMMLIJUBPIUVBF-LLVKDONJSA-N 1 3 196.269 1.743 10 0 ADAEHO Cc1ccc([C@H](N)C[C@H](C)C[NH3+])o1 259285450 574030942 /nfs/dbraw/zinc/03/09/42/574030942.db2.gz JKEFFJFOSWKEAX-IONNQARKSA-N 1 3 182.267 1.573 10 0 ADAEHO C[NH2+]C[C@H]1CCCN(C2CC2)C1(C)C 259285644 574031304 /nfs/dbraw/zinc/03/13/04/574031304.db2.gz GSCUNEWRSJURQQ-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C/C=C/CN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289437 574029930 /nfs/dbraw/zinc/02/99/30/574029930.db2.gz JHHBUAIUSRMLFB-NNOMMRTBSA-N 1 3 194.322 1.492 10 0 ADAEHO C/C=C/CN1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85289440 574030434 /nfs/dbraw/zinc/03/04/34/574030434.db2.gz JHHBUAIUSRMLFB-ZJRFNNFUSA-N 1 3 194.322 1.492 10 0 ADAEHO CCN1CCC[NH2+]CC(C)(C)C1 259285761 574030639 /nfs/dbraw/zinc/03/06/39/574030639.db2.gz GUISYUJCVQJMNX-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@@H+]1CCCNCC(C)(C)C1 259285761 574030641 /nfs/dbraw/zinc/03/06/41/574030641.db2.gz GUISYUJCVQJMNX-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@H+]1CCCNCC(C)(C)C1 259285761 574030644 /nfs/dbraw/zinc/03/06/44/574030644.db2.gz GUISYUJCVQJMNX-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO Cc1ccc([C@H](N)C[C@@H](C)C[NH3+])o1 259285451 574030683 /nfs/dbraw/zinc/03/06/83/574030683.db2.gz JKEFFJFOSWKEAX-VXNVDRBHSA-N 1 3 182.267 1.573 10 0 ADAEHO CN[C@H](C(C)(C)C)C(C)(C)[NH2+]C 259286368 574030796 /nfs/dbraw/zinc/03/07/96/574030796.db2.gz IMTAVYAXKXVZIB-MRVPVSSYSA-N 1 3 172.316 1.619 10 0 ADAEHO CN[C@@H](C(C)(C)C)C(C)(C)[NH2+]C 259286370 574030818 /nfs/dbraw/zinc/03/08/18/574030818.db2.gz IMTAVYAXKXVZIB-QMMMGPOBSA-N 1 3 172.316 1.619 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN(C2CC2)C1(C)C 259285641 574030894 /nfs/dbraw/zinc/03/08/94/574030894.db2.gz GSCUNEWRSJURQQ-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO Cc1ccc([C@@H](N)C[C@@H](C)C[NH3+])o1 259285447 574031157 /nfs/dbraw/zinc/03/11/57/574031157.db2.gz JKEFFJFOSWKEAX-APPZFPTMSA-N 1 3 182.267 1.573 10 0 ADAEHO CC1(C)[C@H](CN)CC[N@@H+]1C1CC1 259285814 574031252 /nfs/dbraw/zinc/03/12/52/574031252.db2.gz GVDBMCOBYZYFEX-QMMMGPOBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)[C@H](CN)CC[N@H+]1C1CC1 259285814 574031254 /nfs/dbraw/zinc/03/12/54/574031254.db2.gz GVDBMCOBYZYFEX-QMMMGPOBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@H](CN)[C@@H]([NH3+])C1CCC1 259289482 574035547 /nfs/dbraw/zinc/03/55/47/574035547.db2.gz HRSRRSKVMGDOOX-UWVGGRQHSA-N 1 3 170.300 1.345 10 0 ADAEHO CC(C)[C@@H](CN)[C@H]([NH3+])C1CCC1 259289480 574036308 /nfs/dbraw/zinc/03/63/08/574036308.db2.gz HRSRRSKVMGDOOX-NXEZZACHSA-N 1 3 170.300 1.345 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H](N)C1CCCC1 259289547 574035875 /nfs/dbraw/zinc/03/58/75/574035875.db2.gz HSVVADFGWNFEIX-NEPJUHHUSA-N 1 3 198.354 1.996 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]([NH3+])C1CCCC1 259289547 574035877 /nfs/dbraw/zinc/03/58/77/574035877.db2.gz HSVVADFGWNFEIX-NEPJUHHUSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)[C@@H](CN)[C@@H]([NH3+])C1CCC1 259289484 574036051 /nfs/dbraw/zinc/03/60/51/574036051.db2.gz HRSRRSKVMGDOOX-ZJUUUORDSA-N 1 3 170.300 1.345 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H](N)C1CCCC1 259289550 574036211 /nfs/dbraw/zinc/03/62/11/574036211.db2.gz HSVVADFGWNFEIX-RYUDHWBXSA-N 1 3 198.354 1.996 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]([NH3+])C1CCCC1 259289550 574036213 /nfs/dbraw/zinc/03/62/13/574036213.db2.gz HSVVADFGWNFEIX-RYUDHWBXSA-N 1 3 198.354 1.996 10 0 ADAEHO Cc1sc(C[NH3+])cc1CN(C)C 87794421 574037719 /nfs/dbraw/zinc/03/77/19/574037719.db2.gz DZWYLHNVRTUXQU-UHFFFAOYSA-N 1 3 184.308 1.577 10 0 ADAEHO CC1(C)CN(CC2CCC2)CC[C@H]1[NH3+] 306987003 574038130 /nfs/dbraw/zinc/03/81/30/574038130.db2.gz PMDYCLAYHVYOFP-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+]1CCCNCCC1(C)C 259294201 574040086 /nfs/dbraw/zinc/04/00/86/574040086.db2.gz HDZUGDDPCDVVQU-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[N@H+]1CCCNCCC1(C)C 259294201 574040090 /nfs/dbraw/zinc/04/00/90/574040090.db2.gz HDZUGDDPCDVVQU-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1NC[C@@H]1CC[NH2+]C1 716978075 574040394 /nfs/dbraw/zinc/04/03/94/574040394.db2.gz OABWUCOKYMMCLP-ZIQFBCGOSA-N 1 3 194.322 1.230 10 0 ADAEHO CC1(C)CC[C@H](CN)C[N@@H+]1C1CC1 259294360 574040629 /nfs/dbraw/zinc/04/06/29/574040629.db2.gz HGXHSMRMAKAXDH-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@H](CN)C[N@H+]1C1CC1 259294360 574040632 /nfs/dbraw/zinc/04/06/32/574040632.db2.gz HGXHSMRMAKAXDH-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@H](C[NH3+])CN1C1CC1 259294360 574040634 /nfs/dbraw/zinc/04/06/34/574040634.db2.gz HGXHSMRMAKAXDH-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO Cc1csc(CNCCCC[NH3+])n1 49539109 574042563 /nfs/dbraw/zinc/04/25/63/574042563.db2.gz UIQBXDPVEHGCKE-UHFFFAOYSA-N 1 3 199.323 1.280 10 0 ADAEHO CCC[N@@H+]1C[C@H](NC)CC1(C)C 259297089 574042854 /nfs/dbraw/zinc/04/28/54/574042854.db2.gz HIWZGZLDBCBNLW-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+]1C[C@H](NC)CC1(C)C 259297089 574042856 /nfs/dbraw/zinc/04/28/56/574042856.db2.gz HIWZGZLDBCBNLW-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[NH+]1CCC([C@@]2(C)NCCO2)CC1 258525139 574042915 /nfs/dbraw/zinc/04/29/15/574042915.db2.gz NJLKPPLUYIXOGD-NSHDSACASA-N 1 3 198.310 1.054 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@@H](CN)C1(C)C 259300390 574046760 /nfs/dbraw/zinc/04/67/60/574046760.db2.gz HMYFBHMPHOUNQM-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)CC 113169518 574045736 /nfs/dbraw/zinc/04/57/36/574045736.db2.gz CPSPDCSQWDODSU-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)CC 113169519 574046161 /nfs/dbraw/zinc/04/61/61/574046161.db2.gz CPSPDCSQWDODSU-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC(C)C[N@H+]1CC[C@@H](CN)C1(C)C 259300390 574046763 /nfs/dbraw/zinc/04/67/63/574046763.db2.gz HMYFBHMPHOUNQM-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CCCCCN1CCC[C@H]1C[NH3+] 19843273 486713556 /nfs/dbraw/zinc/71/35/56/486713556.db2.gz ZZKVXHWYCZZSLZ-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@H](C)[N@H+](CC)CCCN 36731864 486716969 /nfs/dbraw/zinc/71/69/69/486716969.db2.gz CIUOKXZCRGCNPW-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@H](C)[N@@H+](CC)CCCN 36731864 486716973 /nfs/dbraw/zinc/71/69/73/486716973.db2.gz CIUOKXZCRGCNPW-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)[N@H+](CCCN)C1CCCC1 36731995 486717061 /nfs/dbraw/zinc/71/70/61/486717061.db2.gz TYLFRHXEPKZJKG-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)[N@@H+](CCCN)C1CCCC1 36731995 486717067 /nfs/dbraw/zinc/71/70/67/486717067.db2.gz TYLFRHXEPKZJKG-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)[N@H+](CC)CCCN 36731863 486717317 /nfs/dbraw/zinc/71/73/17/486717317.db2.gz CIUOKXZCRGCNPW-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@@H](C)[N@@H+](CC)CCCN 36731863 486717319 /nfs/dbraw/zinc/71/73/19/486717319.db2.gz CIUOKXZCRGCNPW-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[N@H+](C)C[C@@H](N)CC(C)C 37079004 486717894 /nfs/dbraw/zinc/71/78/94/486717894.db2.gz DWAATGWNSBJIOS-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@@H+](C)C[C@@H](N)CC(C)C 37079004 486717900 /nfs/dbraw/zinc/71/79/00/486717900.db2.gz DWAATGWNSBJIOS-VIFPVBQESA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@H+](C[C@H](N)CC(C)C)C1CC1 37080157 486718376 /nfs/dbraw/zinc/71/83/76/486718376.db2.gz CTLHTLDIPFBBSA-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C[C@H](N)CC(C)C)C1CC1 37080157 486718378 /nfs/dbraw/zinc/71/83/78/486718378.db2.gz CTLHTLDIPFBBSA-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](C[C@@H](N)CC(C)C)C1CC1 37080158 486718444 /nfs/dbraw/zinc/71/84/44/486718444.db2.gz CTLHTLDIPFBBSA-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C[C@@H](N)CC(C)C)C1CC1 37080158 486718447 /nfs/dbraw/zinc/71/84/47/486718447.db2.gz CTLHTLDIPFBBSA-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+](C)C[C@H](N)CC(C)C 37079003 486718482 /nfs/dbraw/zinc/71/84/82/486718482.db2.gz DWAATGWNSBJIOS-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@@H+](C)C[C@H](N)CC(C)C 37079003 486718483 /nfs/dbraw/zinc/71/84/83/486718483.db2.gz DWAATGWNSBJIOS-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)CN(C)CCC[NH2+]C(C)C 37480297 486720464 /nfs/dbraw/zinc/72/04/64/486720464.db2.gz JQYLIUBZCZDTSE-UHFFFAOYSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)[C@H](C)[NH2+]CCCN 37713503 486720803 /nfs/dbraw/zinc/72/08/03/486720803.db2.gz GFLBQCYEGUMGKW-BDAKNGLRSA-N 1 3 158.289 1.359 10 0 ADAEHO Cc1cccc([C@@H](C)NCCC[NH3+])c1 37713771 486720891 /nfs/dbraw/zinc/72/08/91/486720891.db2.gz JSXQJMYWWOIYSC-LLVKDONJSA-N 1 3 192.306 1.994 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+]CCCN 37713504 486721038 /nfs/dbraw/zinc/72/10/38/486721038.db2.gz GFLBQCYEGUMGKW-IUCAKERBSA-N 1 3 158.289 1.359 10 0 ADAEHO NCCC[NH2+]CC1CCCCC1 37713137 486721086 /nfs/dbraw/zinc/72/10/86/486721086.db2.gz IZDWJSKWDHFHSF-UHFFFAOYSA-N 1 3 170.300 1.505 10 0 ADAEHO CC1CCC([NH2+]CCCN)CC1 37713094 486721263 /nfs/dbraw/zinc/72/12/63/486721263.db2.gz QCLDTYVSAYPAOQ-UHFFFAOYSA-N 1 3 170.300 1.504 10 0 ADAEHO Cc1cccc([C@H](C)NCCC[NH3+])c1 37713772 486721289 /nfs/dbraw/zinc/72/12/89/486721289.db2.gz JSXQJMYWWOIYSC-NSHDSACASA-N 1 3 192.306 1.994 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[NH2+]CCCN 37713501 486721469 /nfs/dbraw/zinc/72/14/69/486721469.db2.gz GFLBQCYEGUMGKW-RKDXNWHRSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH2+]CCCN 37713502 486721479 /nfs/dbraw/zinc/72/14/79/486721479.db2.gz GFLBQCYEGUMGKW-DTWKUNHWSA-N 1 3 158.289 1.359 10 0 ADAEHO CNC[C@H]1CCC[N@@H+]([C@H](C)C(C)C)C1 40592430 486724363 /nfs/dbraw/zinc/72/43/63/486724363.db2.gz PWFLYUHVMMHMDG-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CCC[N@H+]([C@H](C)C(C)C)C1 40592430 486724366 /nfs/dbraw/zinc/72/43/66/486724366.db2.gz PWFLYUHVMMHMDG-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](N)CC[NH2+]CC(C)(C)C 40494989 486724415 /nfs/dbraw/zinc/72/44/15/486724415.db2.gz NQSQBFTXWQCSLL-QMMMGPOBSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@H](C)[N@H+](C)CCCNC 42409502 486725175 /nfs/dbraw/zinc/72/51/75/486725175.db2.gz ICIKFEIJTNZOJU-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CCCNC 42409502 486725179 /nfs/dbraw/zinc/72/51/79/486725179.db2.gz ICIKFEIJTNZOJU-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CC[C@H](C)N(C)CCC[NH2+]C 42409502 486725183 /nfs/dbraw/zinc/72/51/83/486725183.db2.gz ICIKFEIJTNZOJU-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CCCCN(CC)CCC[NH2+]C 42409393 486725197 /nfs/dbraw/zinc/72/51/97/486725197.db2.gz FXJSWFNWVZPLEF-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CCCC[N@H+](CC)CCCNC 42409393 486725200 /nfs/dbraw/zinc/72/52/00/486725200.db2.gz FXJSWFNWVZPLEF-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CCCC[N@@H+](CC)CCCNC 42409393 486725204 /nfs/dbraw/zinc/72/52/04/486725204.db2.gz FXJSWFNWVZPLEF-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CNCCC[N@@H+](C)CC(C)C 42409519 486725655 /nfs/dbraw/zinc/72/56/55/486725655.db2.gz GXAULSACRCYIED-UHFFFAOYSA-N 1 3 158.289 1.184 10 0 ADAEHO C[NH2+]CCCN(C)CC(C)C 42409519 486725647 /nfs/dbraw/zinc/72/56/47/486725647.db2.gz GXAULSACRCYIED-UHFFFAOYSA-N 1 3 158.289 1.184 10 0 ADAEHO CNCCC[N@H+](C)CC(C)C 42409519 486725652 /nfs/dbraw/zinc/72/56/52/486725652.db2.gz GXAULSACRCYIED-UHFFFAOYSA-N 1 3 158.289 1.184 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CCCNC 42409501 486725763 /nfs/dbraw/zinc/72/57/63/486725763.db2.gz ICIKFEIJTNZOJU-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CCCNC 42409501 486725767 /nfs/dbraw/zinc/72/57/67/486725767.db2.gz ICIKFEIJTNZOJU-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CC[C@@H](C)N(C)CCC[NH2+]C 42409501 486725772 /nfs/dbraw/zinc/72/57/72/486725772.db2.gz ICIKFEIJTNZOJU-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CCCN(CCC[NH2+]C)C1CC1 42409512 486726044 /nfs/dbraw/zinc/72/60/44/486726044.db2.gz FOUJZOUUEFBNPY-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 49710290 486734484 /nfs/dbraw/zinc/73/44/84/486734484.db2.gz XMKPZYDZYKGJHW-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)C1 49710290 486734486 /nfs/dbraw/zinc/73/44/86/486734486.db2.gz XMKPZYDZYKGJHW-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49710289 486734492 /nfs/dbraw/zinc/73/44/92/486734492.db2.gz XMKPZYDZYKGJHW-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 49710289 486734493 /nfs/dbraw/zinc/73/44/93/486734493.db2.gz XMKPZYDZYKGJHW-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO Cc1ccc(CNCC[C@@H](C)[NH3+])s1 50226814 486736240 /nfs/dbraw/zinc/73/62/40/486736240.db2.gz CSYAMERACQMKKJ-MRVPVSSYSA-N 1 3 198.335 1.883 10 0 ADAEHO Cc1ccc(CNCC[C@H](C)[NH3+])s1 50226815 486736505 /nfs/dbraw/zinc/73/65/05/486736505.db2.gz CSYAMERACQMKKJ-QMMMGPOBSA-N 1 3 198.335 1.883 10 0 ADAEHO CCCC[C@@H](C)[NH2+]CC[C@@H](C)N 50890054 486738970 /nfs/dbraw/zinc/73/89/70/486738970.db2.gz IDLNECCLVVBIDF-NXEZZACHSA-N 1 3 172.316 1.892 10 0 ADAEHO CCCC[C@H](C)[NH2+]CC[C@@H](C)N 50890055 486739478 /nfs/dbraw/zinc/73/94/78/486739478.db2.gz IDLNECCLVVBIDF-ZJUUUORDSA-N 1 3 172.316 1.892 10 0 ADAEHO CC[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 51889456 486742809 /nfs/dbraw/zinc/74/28/09/486742809.db2.gz FQVWGRBDGPUIHK-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 51889454 486743257 /nfs/dbraw/zinc/74/32/57/486743257.db2.gz FQVWGRBDGPUIHK-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@H](C)C(C)C)C1 53013317 486747093 /nfs/dbraw/zinc/74/70/93/486747093.db2.gz QLJYMWVQTHQIPR-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@H](C)C(C)C)C1 53013317 486747098 /nfs/dbraw/zinc/74/70/98/486747098.db2.gz QLJYMWVQTHQIPR-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[C@H](C)NC[C@@H](C)[NH2+]C 53493277 486749264 /nfs/dbraw/zinc/74/92/64/486749264.db2.gz AYEPSWRQENHCJL-DTWKUNHWSA-N 1 3 158.289 1.373 10 0 ADAEHO CCC[C@@H](C)NC[C@H](C)[NH2+]C 53493279 486749873 /nfs/dbraw/zinc/74/98/73/486749873.db2.gz AYEPSWRQENHCJL-BDAKNGLRSA-N 1 3 158.289 1.373 10 0 ADAEHO CCC[C@H](C)NC[C@H](C)[NH2+]C 53493281 486750048 /nfs/dbraw/zinc/75/00/48/486750048.db2.gz AYEPSWRQENHCJL-IUCAKERBSA-N 1 3 158.289 1.373 10 0 ADAEHO CC[NH2+][C@H](C)CNCC(C)C 53493335 486750078 /nfs/dbraw/zinc/75/00/78/486750078.db2.gz DRBIUKGUBYNFLW-SECBINFHSA-N 1 3 158.289 1.230 10 0 ADAEHO CCC[C@@H](C)NC[C@@H](C)[NH2+]C 53493275 486750144 /nfs/dbraw/zinc/75/01/44/486750144.db2.gz AYEPSWRQENHCJL-RKDXNWHRSA-N 1 3 158.289 1.373 10 0 ADAEHO CCCC[C@@H](C)NC[C@H](C)[NH2+]C 54077207 486754234 /nfs/dbraw/zinc/75/42/34/486754234.db2.gz KVYQDIAESOEXAJ-ZJUUUORDSA-N 1 3 172.316 1.763 10 0 ADAEHO C[NH2+][C@H](C)CNCC(C)(C)C 54077092 486754275 /nfs/dbraw/zinc/75/42/75/486754275.db2.gz QTTSAAXKQJWCSI-MRVPVSSYSA-N 1 3 158.289 1.230 10 0 ADAEHO CCCC[C@@H](C)NC[C@@H](C)[NH2+]C 54077205 486754351 /nfs/dbraw/zinc/75/43/51/486754351.db2.gz KVYQDIAESOEXAJ-NXEZZACHSA-N 1 3 172.316 1.763 10 0 ADAEHO C[NH2+][C@@H](C)CNCC(C)(C)C 54077091 486754610 /nfs/dbraw/zinc/75/46/10/486754610.db2.gz QTTSAAXKQJWCSI-QMMMGPOBSA-N 1 3 158.289 1.230 10 0 ADAEHO CCCC[C@H](C)NC[C@H](C)[NH2+]C 54077208 486754769 /nfs/dbraw/zinc/75/47/69/486754769.db2.gz KVYQDIAESOEXAJ-UWVGGRQHSA-N 1 3 172.316 1.763 10 0 ADAEHO CCCC[C@H](C)NC[C@@H](C)[NH2+]C 54077206 486754780 /nfs/dbraw/zinc/75/47/80/486754780.db2.gz KVYQDIAESOEXAJ-VHSXEESVSA-N 1 3 172.316 1.763 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@H](C)N 54488783 486758360 /nfs/dbraw/zinc/75/83/60/486758360.db2.gz BKBZFHUDEMEXRV-IUCAKERBSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H](C)CNC[C@H](C)[NH2+]C 54488907 486758451 /nfs/dbraw/zinc/75/84/51/486758451.db2.gz WTCPLADQYHSDDB-BDAKNGLRSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@@H](C)N 54488779 486758463 /nfs/dbraw/zinc/75/84/63/486758463.db2.gz BKBZFHUDEMEXRV-DTWKUNHWSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H](C)CNC[C@@H](C)[NH2+]C 54488903 486758720 /nfs/dbraw/zinc/75/87/20/486758720.db2.gz WTCPLADQYHSDDB-RKDXNWHRSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC[C@@H](C)N 54488777 486758853 /nfs/dbraw/zinc/75/88/53/486758853.db2.gz BKBZFHUDEMEXRV-RKDXNWHRSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@H](C)CNC[C@@H](C)[NH2+]C 54488905 486758998 /nfs/dbraw/zinc/75/89/98/486758998.db2.gz WTCPLADQYHSDDB-DTWKUNHWSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[C@H](C)CNC[C@H](C)[NH2+]C 54488908 486759135 /nfs/dbraw/zinc/75/91/35/486759135.db2.gz WTCPLADQYHSDDB-IUCAKERBSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC[C@H](C)N 54488781 486759155 /nfs/dbraw/zinc/75/91/55/486759155.db2.gz BKBZFHUDEMEXRV-BDAKNGLRSA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@H](CC[NH3+])NCc1ccccc1 66147828 486770773 /nfs/dbraw/zinc/77/07/73/486770773.db2.gz GMMZJJNYZGFOQJ-SNVBAGLBSA-N 1 3 178.279 1.514 10 0 ADAEHO C[C@@H](CC[NH3+])NCc1ccccc1 66147825 486771141 /nfs/dbraw/zinc/77/11/41/486771141.db2.gz GMMZJJNYZGFOQJ-JTQLQIEISA-N 1 3 178.279 1.514 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1CC[C@H](CNC)C1 70798744 486793781 /nfs/dbraw/zinc/79/37/81/486793781.db2.gz GNQOPZWSVHGIAX-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@H](C)C[N@H+]1CC[C@H](CNC)C1 70798744 486793785 /nfs/dbraw/zinc/79/37/85/486793785.db2.gz GNQOPZWSVHGIAX-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@@H](C)C[N@@H+]1CC[C@H](CNC)C1 70798740 486793977 /nfs/dbraw/zinc/79/39/77/486793977.db2.gz GNQOPZWSVHGIAX-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@@H](C)C[N@H+]1CC[C@H](CNC)C1 70798740 486793983 /nfs/dbraw/zinc/79/39/83/486793983.db2.gz GNQOPZWSVHGIAX-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C1CCNCC1 81047504 486803134 /nfs/dbraw/zinc/80/31/34/486803134.db2.gz SRDFQZVXCUPHHQ-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C1CCNCC1 81047506 486803627 /nfs/dbraw/zinc/80/36/27/486803627.db2.gz SRDFQZVXCUPHHQ-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO NCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 81635508 486805911 /nfs/dbraw/zinc/80/59/11/486805911.db2.gz QBKOUEDTWOGYJQ-NWDGAFQWSA-N 1 3 196.338 1.894 10 0 ADAEHO NCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 81635513 486806127 /nfs/dbraw/zinc/80/61/27/486806127.db2.gz QBKOUEDTWOGYJQ-VXGBXAGGSA-N 1 3 196.338 1.894 10 0 ADAEHO NCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 81635519 486806149 /nfs/dbraw/zinc/80/61/49/486806149.db2.gz QBKOUEDTWOGYJQ-NEPJUHHUSA-N 1 3 196.338 1.894 10 0 ADAEHO NCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 81635517 486806196 /nfs/dbraw/zinc/80/61/96/486806196.db2.gz QBKOUEDTWOGYJQ-RYUDHWBXSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CCCNCC1 82666947 486823718 /nfs/dbraw/zinc/82/37/18/486823718.db2.gz OSUSEMKPAJOHLC-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 82651667 486823014 /nfs/dbraw/zinc/82/30/14/486823014.db2.gz OCTWMTOUGRSPEO-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 82651667 486823017 /nfs/dbraw/zinc/82/30/17/486823017.db2.gz OCTWMTOUGRSPEO-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CCCNCC1 82666654 486823048 /nfs/dbraw/zinc/82/30/48/486823048.db2.gz NZGHDCMTPRRGIO-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CCCNCC1 82666654 486823052 /nfs/dbraw/zinc/82/30/52/486823052.db2.gz NZGHDCMTPRRGIO-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CCCNCC1 82666633 486823310 /nfs/dbraw/zinc/82/33/10/486823310.db2.gz OYDDQSGBNLMEFR-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CCCNCC1 82666633 486823311 /nfs/dbraw/zinc/82/33/11/486823311.db2.gz OYDDQSGBNLMEFR-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@H+](C)[C@H]1CCCNCC1 82666634 486823465 /nfs/dbraw/zinc/82/34/65/486823465.db2.gz OYDDQSGBNLMEFR-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCCC[N@@H+](C)[C@H]1CCCNCC1 82666634 486823469 /nfs/dbraw/zinc/82/34/69/486823469.db2.gz OYDDQSGBNLMEFR-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CCCNCC1 82666653 486823599 /nfs/dbraw/zinc/82/35/99/486823599.db2.gz NZGHDCMTPRRGIO-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CCCNCC1 82666653 486823605 /nfs/dbraw/zinc/82/36/05/486823605.db2.gz NZGHDCMTPRRGIO-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCCNCC1 82666945 486823712 /nfs/dbraw/zinc/82/37/12/486823712.db2.gz OSUSEMKPAJOHLC-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCNCC1 82666945 486823713 /nfs/dbraw/zinc/82/37/13/486823713.db2.gz OSUSEMKPAJOHLC-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCNCC1 82666947 486823720 /nfs/dbraw/zinc/82/37/20/486823720.db2.gz OSUSEMKPAJOHLC-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]CCCN)CC[C@H]1C 82836874 486826172 /nfs/dbraw/zinc/82/61/72/486826172.db2.gz YTCRKFKJGHCZCY-VWYCJHECSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]CCCN)CC[C@H]1C 82836876 486826723 /nfs/dbraw/zinc/82/67/23/486826723.db2.gz YTCRKFKJGHCZCY-OUAUKWLOSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]CCCN)[C@H](C)C1 82858746 486827247 /nfs/dbraw/zinc/82/72/47/486827247.db2.gz ZYKWLMYIFYEJJI-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN 82858748 486827340 /nfs/dbraw/zinc/82/73/40/486827340.db2.gz LNFYZTYDIPXACW-OUAUKWLOSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]CCCN)[C@H](C)C1 82858744 486827449 /nfs/dbraw/zinc/82/74/49/486827449.db2.gz ZYKWLMYIFYEJJI-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCN)C1 82858750 486827743 /nfs/dbraw/zinc/82/77/43/486827743.db2.gz LNFYZTYDIPXACW-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H]([NH2+]CCCN)C1CC1 83055523 486830562 /nfs/dbraw/zinc/83/05/62/486830562.db2.gz OBVVIGBQCFHXHP-VIFPVBQESA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@@H]([NH2+]CCCN)C1CC1 83055525 486830637 /nfs/dbraw/zinc/83/06/37/486830637.db2.gz OBVVIGBQCFHXHP-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH2+]CCCN 83390587 486833650 /nfs/dbraw/zinc/83/36/50/486833650.db2.gz IPWREAAYILHQQX-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+]CCCN 83390586 486833934 /nfs/dbraw/zinc/83/39/34/486833934.db2.gz IPWREAAYILHQQX-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH2+]CCCN 83390589 486834200 /nfs/dbraw/zinc/83/42/00/486834200.db2.gz IPWREAAYILHQQX-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CCC[C@H]1[NH2+]CCCN 83390588 486834335 /nfs/dbraw/zinc/83/43/35/486834335.db2.gz IPWREAAYILHQQX-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO C1CNC[C@H](C[NH2+]CCC2CC2)C1 83895365 486847143 /nfs/dbraw/zinc/84/71/43/486847143.db2.gz ZAKRGKYAWHLZFV-LLVKDONJSA-N 1 3 182.311 1.376 10 0 ADAEHO C1CNC[C@@H](C[NH2+]CCC2CC2)C1 83895364 486847373 /nfs/dbraw/zinc/84/73/73/486847373.db2.gz ZAKRGKYAWHLZFV-NSHDSACASA-N 1 3 182.311 1.376 10 0 ADAEHO C[C@]1(CNCCC2CC2)CC[NH2+]C1 83895409 486847489 /nfs/dbraw/zinc/84/74/89/486847489.db2.gz QOHXXOISFIJKDK-LLVKDONJSA-N 1 3 182.311 1.376 10 0 ADAEHO C[C@@]1(CNCCC2CC2)CC[NH2+]C1 83895410 486847923 /nfs/dbraw/zinc/84/79/23/486847923.db2.gz QOHXXOISFIJKDK-NSHDSACASA-N 1 3 182.311 1.376 10 0 ADAEHO CNCCC[N@@H+]1C[C@H](C)CC[C@H]1C 84046344 486851062 /nfs/dbraw/zinc/85/10/62/486851062.db2.gz DGHSMRBXZAOSMT-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+]1C[C@H](C)CC[C@H]1C 84046344 486851067 /nfs/dbraw/zinc/85/10/67/486851067.db2.gz DGHSMRBXZAOSMT-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+]1C[C@@H](C)CC[C@H]1C 84046347 486851106 /nfs/dbraw/zinc/85/11/06/486851106.db2.gz DGHSMRBXZAOSMT-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+]1C[C@@H](C)CC[C@H]1C 84046347 486851110 /nfs/dbraw/zinc/85/11/10/486851110.db2.gz DGHSMRBXZAOSMT-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C 84046341 486851142 /nfs/dbraw/zinc/85/11/42/486851142.db2.gz DGHSMRBXZAOSMT-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+]1C[C@@H](C)CC[C@@H]1C 84046341 486851145 /nfs/dbraw/zinc/85/11/45/486851145.db2.gz DGHSMRBXZAOSMT-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+]1C[C@H](C)CC[C@@H]1C 84046339 486851635 /nfs/dbraw/zinc/85/16/35/486851635.db2.gz DGHSMRBXZAOSMT-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+]1C[C@H](C)CC[C@@H]1C 84046339 486851638 /nfs/dbraw/zinc/85/16/38/486851638.db2.gz DGHSMRBXZAOSMT-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1CCCN 84125214 486853520 /nfs/dbraw/zinc/85/35/20/486853520.db2.gz GKHSPJRSVLGLAQ-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1CCCN 84125214 486853523 /nfs/dbraw/zinc/85/35/23/486853523.db2.gz GKHSPJRSVLGLAQ-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+]1CCCN 84125216 486853638 /nfs/dbraw/zinc/85/36/38/486853638.db2.gz GKHSPJRSVLGLAQ-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+]1CCCN 84125216 486853646 /nfs/dbraw/zinc/85/36/46/486853646.db2.gz GKHSPJRSVLGLAQ-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 84217454 486856050 /nfs/dbraw/zinc/85/60/50/486856050.db2.gz OJTUEBIIOMYSGK-AXFHLTTASA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN 84216706 486856116 /nfs/dbraw/zinc/85/61/16/486856116.db2.gz VEQFNAMDGCFIBU-DBIOUOCHSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 84217337 486856155 /nfs/dbraw/zinc/85/61/55/486856155.db2.gz LUCSCVRXMURHNU-AEJSXWLSSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84217333 486856467 /nfs/dbraw/zinc/85/64/67/486856467.db2.gz LUCSCVRXMURHNU-IVZWLZJFSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84217451 486856556 /nfs/dbraw/zinc/85/65/56/486856556.db2.gz OJTUEBIIOMYSGK-HBNTYKKESA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84218552 486856619 /nfs/dbraw/zinc/85/66/19/486856619.db2.gz XQPBWFCVTCUTQA-HBNTYKKESA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 84218561 486856638 /nfs/dbraw/zinc/85/66/38/486856638.db2.gz XQPBWFCVTCUTQA-AXFHLTTASA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CN 84222531 486856887 /nfs/dbraw/zinc/85/68/87/486856887.db2.gz GRFWVGAUOQJTEL-IJLUTSLNSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H]1CN 84222195 486856924 /nfs/dbraw/zinc/85/69/24/486856924.db2.gz PSQWHUGQUBGONO-JLLWLGSASA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CN 84222542 486856937 /nfs/dbraw/zinc/85/69/37/486856937.db2.gz GRFWVGAUOQJTEL-UTUOFQBUSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 84221458 486857034 /nfs/dbraw/zinc/85/70/34/486857034.db2.gz PCRMPLIFMBEIJO-KYXWUPHJSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 84221828 486857048 /nfs/dbraw/zinc/85/70/48/486857048.db2.gz GLNMSWPBZYSSAW-WISYIIOYSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]1CN 84222186 486857110 /nfs/dbraw/zinc/85/71/10/486857110.db2.gz PSQWHUGQUBGONO-YUSALJHKSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85282281 486868385 /nfs/dbraw/zinc/86/83/85/486868385.db2.gz DVKYRRMXIRPPHB-SDDRHHMPSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC[C@@H](C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85282280 486868415 /nfs/dbraw/zinc/86/84/15/486868415.db2.gz DVKYRRMXIRPPHB-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO CNCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009382 486870994 /nfs/dbraw/zinc/87/09/94/486870994.db2.gz HHCRCAJDRGVTKD-AOOOYVTPSA-N 1 3 170.300 1.184 10 0 ADAEHO CNCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009382 486871000 /nfs/dbraw/zinc/87/10/00/486871000.db2.gz HHCRCAJDRGVTKD-AOOOYVTPSA-N 1 3 170.300 1.184 10 0 ADAEHO CNCCC[NH+]1C[C@H](C)[C@@H](C)C1 86009384 486871457 /nfs/dbraw/zinc/87/14/57/486871457.db2.gz HHCRCAJDRGVTKD-UWVGGRQHSA-N 1 3 170.300 1.184 10 0 ADAEHO CNCCC[NH+]1C[C@@H](C)[C@H](C)C1 86009385 486871731 /nfs/dbraw/zinc/87/17/31/486871731.db2.gz HHCRCAJDRGVTKD-NXEZZACHSA-N 1 3 170.300 1.184 10 0 ADAEHO CC(C)C[C@@H]([NH3+])CN1C[C@@H](C)[C@@H](C)C1 86015541 486872695 /nfs/dbraw/zinc/87/26/95/486872695.db2.gz LKQVSXGGWNORIN-GRYCIOLGSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[NH2+][C@H]1CCC[C@@H](N)C1 86401608 486877422 /nfs/dbraw/zinc/87/74/22/486877422.db2.gz BYNJNCWITPRQGR-BDAKNGLRSA-N 1 3 156.273 1.254 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCC[C@H](N)C1 86401602 486877552 /nfs/dbraw/zinc/87/75/52/486877552.db2.gz BYNJNCWITPRQGR-DTWKUNHWSA-N 1 3 156.273 1.254 10 0 ADAEHO CC(C)[NH2+][C@H]1CCC[C@H](N)C1 86401604 486878119 /nfs/dbraw/zinc/87/81/19/486878119.db2.gz BYNJNCWITPRQGR-IUCAKERBSA-N 1 3 156.273 1.254 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCC[C@@H](N)C1 86401605 486878228 /nfs/dbraw/zinc/87/82/28/486878228.db2.gz BYNJNCWITPRQGR-RKDXNWHRSA-N 1 3 156.273 1.254 10 0 ADAEHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCOC2)C1 86404216 486878645 /nfs/dbraw/zinc/87/86/45/486878645.db2.gz UCFHGRQZEDSJTQ-GARJFASQSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCOC2)C1 86404214 486878932 /nfs/dbraw/zinc/87/89/32/486878932.db2.gz UCFHGRQZEDSJTQ-GMTAPVOTSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCOC2)C1 86404213 486878977 /nfs/dbraw/zinc/87/89/77/486878977.db2.gz UCFHGRQZEDSJTQ-HBNTYKKESA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@H]1CCC[C@H](NC[C@@H]2CCCO2)C1 86402160 486879079 /nfs/dbraw/zinc/87/90/79/486879079.db2.gz PGVMHKDORNATET-DCAQKATOSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCOC2)C1 86404219 486879106 /nfs/dbraw/zinc/87/91/06/486879106.db2.gz UCFHGRQZEDSJTQ-OUAUKWLOSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H](NC[C@@H]2CCCO2)C1 86402156 486879456 /nfs/dbraw/zinc/87/94/56/486879456.db2.gz PGVMHKDORNATET-AXFHLTTASA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 86403976 486879511 /nfs/dbraw/zinc/87/95/11/486879511.db2.gz SUZDMZNJFPSOSR-RGOKHQFPSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 86403976 486879517 /nfs/dbraw/zinc/87/95/17/486879517.db2.gz SUZDMZNJFPSOSR-RGOKHQFPSA-N 1 3 168.284 1.254 10 0 ADAEHO CCCCC[NH2+][C@H]1CCNC1 86724421 486884418 /nfs/dbraw/zinc/88/44/18/486884418.db2.gz YJBMEHPRZRUDNF-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO CCCCC[NH2+][C@@H]1CCNC1 86724418 486884554 /nfs/dbraw/zinc/88/45/54/486884554.db2.gz YJBMEHPRZRUDNF-SECBINFHSA-N 1 3 156.273 1.128 10 0 ADAEHO CCC(CC)[NH2+][C@@H]1CCNC1 86724328 486884930 /nfs/dbraw/zinc/88/49/30/486884930.db2.gz NSUZZYXGBXUXLT-SECBINFHSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC(CC)[NH2+][C@H]1CCNC1 86724331 486885015 /nfs/dbraw/zinc/88/50/15/486885015.db2.gz NSUZZYXGBXUXLT-VIFPVBQESA-N 1 3 156.273 1.127 10 0 ADAEHO C1CCC(CC[NH2+][C@H]2CCNC2)C1 86728367 486885383 /nfs/dbraw/zinc/88/53/83/486885383.db2.gz XZOSKIOEBYWINH-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO C1CCC(CC[NH2+][C@@H]2CCNC2)C1 86728365 486885674 /nfs/dbraw/zinc/88/56/74/486885674.db2.gz XZOSKIOEBYWINH-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNC1 86730720 486886681 /nfs/dbraw/zinc/88/66/81/486886681.db2.gz JFBJFTFZAHGXSC-GARJFASQSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1(C)C(C[NH2+][C@H]2CCNC2)C1(C)C 86731040 486887097 /nfs/dbraw/zinc/88/70/97/486887097.db2.gz ODNXLRIFWFWCCR-VIFPVBQESA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCNC1 86730717 486887258 /nfs/dbraw/zinc/88/72/58/486887258.db2.gz JFBJFTFZAHGXSC-HBNTYKKESA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCNC1 86730432 486887276 /nfs/dbraw/zinc/88/72/76/486887276.db2.gz DZGVIOPZCICFOK-ZJUUUORDSA-N 1 3 170.300 1.230 10 0 ADAEHO C1C[C@H]([NH2+]CC(C2CC2)C2CC2)CN1 86730743 486887309 /nfs/dbraw/zinc/88/73/09/486887309.db2.gz FWCIBPXITTYVKL-NSHDSACASA-N 1 3 194.322 1.374 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+][C@@H]1CCNC1 86730426 486887377 /nfs/dbraw/zinc/88/73/77/486887377.db2.gz DZGVIOPZCICFOK-VHSXEESVSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCNC1 86730428 486887570 /nfs/dbraw/zinc/88/75/70/486887570.db2.gz DZGVIOPZCICFOK-NXEZZACHSA-N 1 3 170.300 1.230 10 0 ADAEHO C1C[C@@H]([NH2+]CC(C2CC2)C2CC2)CN1 86730742 486887642 /nfs/dbraw/zinc/88/76/42/486887642.db2.gz FWCIBPXITTYVKL-LLVKDONJSA-N 1 3 194.322 1.374 10 0 ADAEHO CC1(C)C(C[NH2+][C@@H]2CCNC2)C1(C)C 86731036 486887667 /nfs/dbraw/zinc/88/76/67/486887667.db2.gz ODNXLRIFWFWCCR-SECBINFHSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+][C@H]1CCNC1 86730430 486887675 /nfs/dbraw/zinc/88/76/75/486887675.db2.gz DZGVIOPZCICFOK-UWVGGRQHSA-N 1 3 170.300 1.230 10 0 ADAEHO CC1(C)CCC[C@H]1[NH2+]CCCN 86856788 486888100 /nfs/dbraw/zinc/88/81/00/486888100.db2.gz JQVUOOCFSSXRHC-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC1(C)CCCC[C@@H]1[NH2+]CCCN 86843841 486888375 /nfs/dbraw/zinc/88/83/75/486888375.db2.gz HHSOIGIEIKNVPW-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(C)CCCC[C@H]1[NH2+]CCCN 86843844 486888525 /nfs/dbraw/zinc/88/85/25/486888525.db2.gz HHSOIGIEIKNVPW-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(C)CCC[C@@H]1[NH2+]CCCN 86856787 486888577 /nfs/dbraw/zinc/88/85/77/486888577.db2.gz JQVUOOCFSSXRHC-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CCC[C@H](C)CN(C)CCC[NH2+]C 87472164 486896704 /nfs/dbraw/zinc/89/67/04/486896704.db2.gz YIWNPFKCJMNLEO-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@H](C)C[N@H+](C)CCCNC 87472164 486896707 /nfs/dbraw/zinc/89/67/07/486896707.db2.gz YIWNPFKCJMNLEO-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@H](C)C[N@@H+](C)CCCNC 87472164 486896710 /nfs/dbraw/zinc/89/67/10/486896710.db2.gz YIWNPFKCJMNLEO-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@@H](C)CN(C)CCC[NH2+]C 87472163 486896832 /nfs/dbraw/zinc/89/68/32/486896832.db2.gz YIWNPFKCJMNLEO-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@@H](C)C[N@H+](C)CCCNC 87472163 486896836 /nfs/dbraw/zinc/89/68/36/486896836.db2.gz YIWNPFKCJMNLEO-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@@H](C)C[N@@H+](C)CCCNC 87472163 486896839 /nfs/dbraw/zinc/89/68/39/486896839.db2.gz YIWNPFKCJMNLEO-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCCCN(C)C1CC([NH3+])C1 87653163 486899163 /nfs/dbraw/zinc/89/91/63/486899163.db2.gz FFZIFLVHWTXJQJ-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCC[N@H+](C)C1CC(N)C1 87653163 486899165 /nfs/dbraw/zinc/89/91/65/486899165.db2.gz FFZIFLVHWTXJQJ-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCC[N@@H+](C)C1CC(N)C1 87653163 486899170 /nfs/dbraw/zinc/89/91/70/486899170.db2.gz FFZIFLVHWTXJQJ-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC(C)(C)[NH2+]C[C@H]1CCCNC1 87645954 486899607 /nfs/dbraw/zinc/89/96/07/486899607.db2.gz ZGRJWVSPBGFMNH-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CCC(C)(C)[NH2+]C[C@@H]1CCCNC1 87645953 486899716 /nfs/dbraw/zinc/89/97/16/486899716.db2.gz ZGRJWVSPBGFMNH-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CC1(C)CC[C@H]([NH2+]CCCN)C1 87771111 486901299 /nfs/dbraw/zinc/90/12/99/486901299.db2.gz PCQZJIQLDOTSIW-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CC1(C)CC[C@@H]([NH2+]CCCN)C1 87771113 486901795 /nfs/dbraw/zinc/90/17/95/486901795.db2.gz PCQZJIQLDOTSIW-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO NC1(C[NH2+]Cc2ccccc2)CCC1 88051855 486908116 /nfs/dbraw/zinc/90/81/16/486908116.db2.gz DUDZPTYBNISXQB-UHFFFAOYSA-N 1 3 190.290 1.658 10 0 ADAEHO CN(CC[C@@H]1CCC[N@@H+]1C)CC1CC1 678073138 486916959 /nfs/dbraw/zinc/91/69/59/486916959.db2.gz NCQPBADJNYYKAU-LBPRGKRZSA-N 1 3 196.338 1.813 10 0 ADAEHO CN(CC[C@@H]1CCC[N@H+]1C)CC1CC1 678073138 486916961 /nfs/dbraw/zinc/91/69/61/486916961.db2.gz NCQPBADJNYYKAU-LBPRGKRZSA-N 1 3 196.338 1.813 10 0 ADAEHO CN(CC[C@H]1CCC[N@@H+]1C)CC1CC1 678073133 486917075 /nfs/dbraw/zinc/91/70/75/486917075.db2.gz NCQPBADJNYYKAU-GFCCVEGCSA-N 1 3 196.338 1.813 10 0 ADAEHO CN(CC[C@H]1CCC[N@H+]1C)CC1CC1 678073133 486917077 /nfs/dbraw/zinc/91/70/77/486917077.db2.gz NCQPBADJNYYKAU-GFCCVEGCSA-N 1 3 196.338 1.813 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](CCCN)C1 108289172 486922149 /nfs/dbraw/zinc/92/21/49/486922149.db2.gz ASLBYVQISZFMBT-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](CCCN)C1 108289172 486922154 /nfs/dbraw/zinc/92/21/54/486922154.db2.gz ASLBYVQISZFMBT-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](CCCN)C1 108289169 486922456 /nfs/dbraw/zinc/92/24/56/486922456.db2.gz ASLBYVQISZFMBT-SNVBAGLBSA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](CCCN)C1 108289169 486922459 /nfs/dbraw/zinc/92/24/59/486922459.db2.gz ASLBYVQISZFMBT-SNVBAGLBSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@@H]1CCCCC[N@@H+]1CCCN 108297465 486922504 /nfs/dbraw/zinc/92/25/04/486922504.db2.gz YPDYGJGTYGNPFJ-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CC[C@@H]1CCCCC[N@H+]1CCCN 108297465 486922509 /nfs/dbraw/zinc/92/25/09/486922509.db2.gz YPDYGJGTYGNPFJ-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CC[C@H]1CCCCC[N@@H+]1CCCN 108297467 486922571 /nfs/dbraw/zinc/92/25/71/486922571.db2.gz YPDYGJGTYGNPFJ-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CC[C@H]1CCCCC[N@H+]1CCCN 108297467 486922576 /nfs/dbraw/zinc/92/25/76/486922576.db2.gz YPDYGJGTYGNPFJ-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@H](Cc1ccsc1)NCCC[NH3+] 135297855 486942442 /nfs/dbraw/zinc/94/24/42/486942442.db2.gz DYMWCYLFSHYZAG-SECBINFHSA-N 1 3 198.335 1.618 10 0 ADAEHO C[C@H](Cc1ccsc1)[NH2+]CCCN 135297855 486942445 /nfs/dbraw/zinc/94/24/45/486942445.db2.gz DYMWCYLFSHYZAG-SECBINFHSA-N 1 3 198.335 1.618 10 0 ADAEHO C[C@@H](CC1CC1)[NH2+]CCCN 135304096 486942541 /nfs/dbraw/zinc/94/25/41/486942541.db2.gz BOHXXISHOYHAMY-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H](CC1CC1)[NH2+]CCCN 135304115 486942647 /nfs/dbraw/zinc/94/26/47/486942647.db2.gz BOHXXISHOYHAMY-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@H](CC)[NH2+]CCCN 135300512 486942974 /nfs/dbraw/zinc/94/29/74/486942974.db2.gz MMUPKLBYZQETRP-VIFPVBQESA-N 1 3 158.289 1.504 10 0 ADAEHO CCC[C@@H](CC)[NH2+]CCCN 135300491 486943076 /nfs/dbraw/zinc/94/30/76/486943076.db2.gz MMUPKLBYZQETRP-SECBINFHSA-N 1 3 158.289 1.504 10 0 ADAEHO C[C@@H](Cc1ccsc1)NCCC[NH3+] 135297833 486943101 /nfs/dbraw/zinc/94/31/01/486943101.db2.gz DYMWCYLFSHYZAG-VIFPVBQESA-N 1 3 198.335 1.618 10 0 ADAEHO C[C@@H](Cc1ccsc1)[NH2+]CCCN 135297833 486943105 /nfs/dbraw/zinc/94/31/05/486943105.db2.gz DYMWCYLFSHYZAG-VIFPVBQESA-N 1 3 198.335 1.618 10 0 ADAEHO CC[C@@H]1CN(CCCF)CC[C@@H]1[NH3+] 147506558 486955674 /nfs/dbraw/zinc/95/56/74/486955674.db2.gz GDAGKMADKACVIC-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO CC[C@H]1CN(CCCF)CC[C@@H]1[NH3+] 147506733 486956140 /nfs/dbraw/zinc/95/61/40/486956140.db2.gz GDAGKMADKACVIC-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)CCCN1CCC[C@H]1C[NH3+] 147449774 486956280 /nfs/dbraw/zinc/95/62/80/486956280.db2.gz WURWXTOVNQUDFE-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CCCN1CCC[C@@H]1C[NH3+] 147449544 486956339 /nfs/dbraw/zinc/95/63/39/486956339.db2.gz WURWXTOVNQUDFE-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C(C[NH2+][C@@H]1CCCNCC1)CC1CC1 156856872 486963399 /nfs/dbraw/zinc/96/33/99/486963399.db2.gz WVUOUXDZUXYVKE-GFCCVEGCSA-N 1 3 196.338 1.908 10 0 ADAEHO C(C[NH2+][C@H]1CCNC1)CC1CC1 156850934 486963585 /nfs/dbraw/zinc/96/35/85/486963585.db2.gz ZDDVWMXTZRKBMZ-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C(C[NH2+][C@H]1CCCNCC1)CC1CC1 156856748 486963748 /nfs/dbraw/zinc/96/37/48/486963748.db2.gz WVUOUXDZUXYVKE-LBPRGKRZSA-N 1 3 196.338 1.908 10 0 ADAEHO C(C[NH2+][C@@H]1CCNC1)CC1CC1 156850796 486963881 /nfs/dbraw/zinc/96/38/81/486963881.db2.gz ZDDVWMXTZRKBMZ-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C(C[NH2+]C1CCNCC1)CC1CC1 156855098 486964105 /nfs/dbraw/zinc/96/41/05/486964105.db2.gz DEGRIBYZLYOUGH-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO CCC[C@@H](C)CN[C@H](C)C[NH2+]C 162166082 486981971 /nfs/dbraw/zinc/98/19/71/486981971.db2.gz OJKMQQXIZDKHQB-NXEZZACHSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@H](C)CN[C@H](C)C[NH2+]C 162166209 486982236 /nfs/dbraw/zinc/98/22/36/486982236.db2.gz OJKMQQXIZDKHQB-VHSXEESVSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@H](C)CN[C@@H](C)C[NH2+]C 162165933 486982571 /nfs/dbraw/zinc/98/25/71/486982571.db2.gz OJKMQQXIZDKHQB-UWVGGRQHSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@@H](C)CN[C@@H](C)C[NH2+]C 162165813 486982830 /nfs/dbraw/zinc/98/28/30/486982830.db2.gz OJKMQQXIZDKHQB-ZJUUUORDSA-N 1 3 172.316 1.620 10 0 ADAEHO C[C@@H]([NH2+]CCCN)C(C)(C)C 162708229 486983797 /nfs/dbraw/zinc/98/37/97/486983797.db2.gz DXJXLTAQGKMECV-MRVPVSSYSA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@H]([NH2+]CCCN)C(C)(C)C 162708112 486984147 /nfs/dbraw/zinc/98/41/47/486984147.db2.gz DXJXLTAQGKMECV-QMMMGPOBSA-N 1 3 158.289 1.359 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@H](C)C(C)(C)C 162952790 486984777 /nfs/dbraw/zinc/98/47/77/486984777.db2.gz QXKFLQZBSUQDFF-VHSXEESVSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@H](N)CC[NH2+]C[C@H](C)C(C)(C)C 162961149 486984975 /nfs/dbraw/zinc/98/49/75/486984975.db2.gz UPWLNLDFDIEAKT-UWVGGRQHSA-N 1 3 186.343 1.996 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@H](C)C(C)(C)C 162953026 486985126 /nfs/dbraw/zinc/98/51/26/486985126.db2.gz QXKFLQZBSUQDFF-UWVGGRQHSA-N 1 3 186.343 1.866 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@@H](C)C(C)(C)C 162953121 486985191 /nfs/dbraw/zinc/98/51/91/486985191.db2.gz QXKFLQZBSUQDFF-ZJUUUORDSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@H](C[NH2+]CC[C@@H](C)N)C(C)(C)C 162961027 486985410 /nfs/dbraw/zinc/98/54/10/486985410.db2.gz UPWLNLDFDIEAKT-NXEZZACHSA-N 1 3 186.343 1.996 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@H](C)C(C)(C)C 162961287 486985470 /nfs/dbraw/zinc/98/54/70/486985470.db2.gz UPWLNLDFDIEAKT-VHSXEESVSA-N 1 3 186.343 1.996 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@@H](C)C(C)(C)C 162952917 486985697 /nfs/dbraw/zinc/98/56/97/486985697.db2.gz QXKFLQZBSUQDFF-NXEZZACHSA-N 1 3 186.343 1.866 10 0 ADAEHO C[C@H](N)CC[NH2+]C[C@@H](C)C(C)(C)C 162960907 486985840 /nfs/dbraw/zinc/98/58/40/486985840.db2.gz UPWLNLDFDIEAKT-ZJUUUORDSA-N 1 3 186.343 1.996 10 0 ADAEHO CO[C@@H](C)CN(CCC[NH3+])C(C)C 166951547 486996540 /nfs/dbraw/zinc/99/65/40/486996540.db2.gz HKMNYFFSYNGTOJ-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO CO[C@@H](C)C[N@H+](CCCN)C(C)C 166951547 486996544 /nfs/dbraw/zinc/99/65/44/486996544.db2.gz HKMNYFFSYNGTOJ-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO CO[C@@H](C)C[N@@H+](CCCN)C(C)C 166951547 486996546 /nfs/dbraw/zinc/99/65/46/486996546.db2.gz HKMNYFFSYNGTOJ-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO CO[C@H](C)CN(CCC[NH3+])C(C)C 166951430 486996610 /nfs/dbraw/zinc/99/66/10/486996610.db2.gz HKMNYFFSYNGTOJ-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO CO[C@H](C)C[N@H+](CCCN)C(C)C 166951430 486996614 /nfs/dbraw/zinc/99/66/14/486996614.db2.gz HKMNYFFSYNGTOJ-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO CO[C@H](C)C[N@@H+](CCCN)C(C)C 166951430 486996618 /nfs/dbraw/zinc/99/66/18/486996618.db2.gz HKMNYFFSYNGTOJ-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO CNCCC[NH2+][C@H](C)CC(C)C 201763992 487017820 /nfs/dbraw/zinc/01/78/20/487017820.db2.gz LUEUBQRBXASRNI-SNVBAGLBSA-N 1 3 172.316 1.620 10 0 ADAEHO CNCCC[NH2+][C@@H](C)CC(C)C 201764019 487018053 /nfs/dbraw/zinc/01/80/53/487018053.db2.gz LUEUBQRBXASRNI-JTQLQIEISA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CNC)C1 221284069 487032352 /nfs/dbraw/zinc/03/23/52/487032352.db2.gz GNQOPZWSVHGIAX-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@@H](C)C[NH2+][C@H](C)CCN 220517240 487030494 /nfs/dbraw/zinc/03/04/94/487030494.db2.gz SYAVPVGNYWYYKU-NXEZZACHSA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@@H](C)C[NH2+][C@@H](C)CCN 220517111 487030585 /nfs/dbraw/zinc/03/05/85/487030585.db2.gz SYAVPVGNYWYYKU-ZJUUUORDSA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@H](C)C[NH2+][C@@H](C)CCN 220517171 487030757 /nfs/dbraw/zinc/03/07/57/487030757.db2.gz SYAVPVGNYWYYKU-UWVGGRQHSA-N 1 3 172.316 1.750 10 0 ADAEHO C[N@H+](CCC1CC1)C[C@H]1CCCNC1 220387031 487031095 /nfs/dbraw/zinc/03/10/95/487031095.db2.gz HLJKLWPHJSWQBC-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO C[N@@H+](CCC1CC1)C[C@H]1CCCNC1 220387031 487031101 /nfs/dbraw/zinc/03/11/01/487031101.db2.gz HLJKLWPHJSWQBC-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CN(CCC1CC1)C[C@H]1CCC[NH2+]C1 220387031 487031104 /nfs/dbraw/zinc/03/11/04/487031104.db2.gz HLJKLWPHJSWQBC-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CCC[C@H](C)C[NH2+][C@H](C)CCN 220517313 487031118 /nfs/dbraw/zinc/03/11/18/487031118.db2.gz SYAVPVGNYWYYKU-VHSXEESVSA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H](CNC)C1 221284124 487032134 /nfs/dbraw/zinc/03/21/34/487032134.db2.gz GNQOPZWSVHGIAX-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@H](C)C[N@H+]1CC[C@@H](CNC)C1 221284124 487032139 /nfs/dbraw/zinc/03/21/39/487032139.db2.gz GNQOPZWSVHGIAX-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@@H](C)C[N@H+]1CC[C@@H](CNC)C1 221284069 487032356 /nfs/dbraw/zinc/03/23/56/487032356.db2.gz GNQOPZWSVHGIAX-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1CC[C@@H](CN)C1 224207171 487038651 /nfs/dbraw/zinc/03/86/51/487038651.db2.gz WZFYVSZCPMOOSQ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H](C)C[N@H+]1CC[C@@H](CN)C1 224207171 487038656 /nfs/dbraw/zinc/03/86/56/487038656.db2.gz WZFYVSZCPMOOSQ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CN)C1 224207118 487038907 /nfs/dbraw/zinc/03/89/07/487038907.db2.gz WZFYVSZCPMOOSQ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H](C)C[N@H+]1CC[C@@H](CN)C1 224207118 487038910 /nfs/dbraw/zinc/03/89/10/487038910.db2.gz WZFYVSZCPMOOSQ-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 224884820 487041037 /nfs/dbraw/zinc/04/10/37/487041037.db2.gz OCTWMTOUGRSPEO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)N)C1 224884820 487041039 /nfs/dbraw/zinc/04/10/39/487041039.db2.gz OCTWMTOUGRSPEO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CN1CC2CC1(C[NH3+])C2 225861391 487045828 /nfs/dbraw/zinc/04/58/28/487045828.db2.gz WUXYQJPYVGMEFH-UHFFFAOYSA-N 1 3 168.284 1.066 10 0 ADAEHO CNC[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 226631388 487052467 /nfs/dbraw/zinc/05/24/67/487052467.db2.gz QLJYMWVQTHQIPR-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H]1CC[N@H+]([C@@H](C)C(C)C)C1 226631388 487052471 /nfs/dbraw/zinc/05/24/71/487052471.db2.gz QLJYMWVQTHQIPR-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCN(C)CCCF 227735343 487055597 /nfs/dbraw/zinc/05/55/97/487055597.db2.gz CGPOIIVZSCIXRL-JTQLQIEISA-N 1 3 190.306 1.651 10 0 ADAEHO CC(C)[C@H]([NH3+])CCN(C)CCCF 227735349 487055787 /nfs/dbraw/zinc/05/57/87/487055787.db2.gz CGPOIIVZSCIXRL-SNVBAGLBSA-N 1 3 190.306 1.651 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 228065098 487057023 /nfs/dbraw/zinc/05/70/23/487057023.db2.gz FQDJGWXKUQAZCK-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C 228065098 487057029 /nfs/dbraw/zinc/05/70/29/487057029.db2.gz FQDJGWXKUQAZCK-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+](CCCN)C1CCC1 228582516 487060773 /nfs/dbraw/zinc/06/07/73/487060773.db2.gz GKBFMTITPAXYGK-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[N@@H+](CCCN)C1CCC1 228582516 487060778 /nfs/dbraw/zinc/06/07/78/487060778.db2.gz GKBFMTITPAXYGK-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C[C@H]1C[C@@H]1C 228791390 487061778 /nfs/dbraw/zinc/06/17/78/487061778.db2.gz MYJNLQTWDCWMCA-HBNTYKKESA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C[C@@H]1C[C@@H]1C 228791376 487062055 /nfs/dbraw/zinc/06/20/55/487062055.db2.gz MYJNLQTWDCWMCA-GARJFASQSA-N 1 3 184.327 1.605 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 229063237 487064579 /nfs/dbraw/zinc/06/45/79/487064579.db2.gz XBHKFSGAAJGMLI-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 229063237 487064584 /nfs/dbraw/zinc/06/45/84/487064584.db2.gz XBHKFSGAAJGMLI-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+]C1CCN(CCC2CCC2)CC1 229112972 487064807 /nfs/dbraw/zinc/06/48/07/487064807.db2.gz GFNCNJIOTSPYGQ-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC1CC[NH+](CCC2CCC2)CC1 229112972 487064812 /nfs/dbraw/zinc/06/48/12/487064812.db2.gz GFNCNJIOTSPYGQ-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC1([NH2+]C[C@@H]2CCCNC2)CCC1 229483010 487067372 /nfs/dbraw/zinc/06/73/72/487067372.db2.gz LIQKGMWIBZAHGL-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CC(C)C(C[NH2+][C@@H]1CCNC1)C(C)C 229536609 487067661 /nfs/dbraw/zinc/06/76/61/487067661.db2.gz BRYYTFDUNBVIQH-LLVKDONJSA-N 1 3 198.354 1.866 10 0 ADAEHO CCC1([NH2+]C[C@H]2CCCNC2)CCC1 229483021 487067722 /nfs/dbraw/zinc/06/77/22/487067722.db2.gz LIQKGMWIBZAHGL-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CC(C)C(C[NH2+][C@H]1CCNC1)C(C)C 229536616 487067948 /nfs/dbraw/zinc/06/79/48/487067948.db2.gz BRYYTFDUNBVIQH-NSHDSACASA-N 1 3 198.354 1.866 10 0 ADAEHO CCC1([NH2+]CCCN)CCC1 229482297 487068017 /nfs/dbraw/zinc/06/80/17/487068017.db2.gz UCEODAOUHCVQJR-UHFFFAOYSA-N 1 3 156.273 1.258 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+]CCCN 229689791 487068509 /nfs/dbraw/zinc/06/85/09/487068509.db2.gz HSKOZJNBILGDOQ-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@H]1CCC[C@@H]1[NH2+]CCCN 229632181 487068599 /nfs/dbraw/zinc/06/85/99/487068599.db2.gz HYJYPFBAKIGVCW-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@H]1CCC[C@H]1[NH2+]CCCN 229632201 487068651 /nfs/dbraw/zinc/06/86/51/487068651.db2.gz HYJYPFBAKIGVCW-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@@H]1CCC[C@H]1[NH2+]CCCN 229632193 487068935 /nfs/dbraw/zinc/06/89/35/487068935.db2.gz HYJYPFBAKIGVCW-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H](CC1CCC1)[NH2+]CCCN 229689797 487068972 /nfs/dbraw/zinc/06/89/72/487068972.db2.gz HSKOZJNBILGDOQ-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCN 229632173 487069102 /nfs/dbraw/zinc/06/91/02/487069102.db2.gz HYJYPFBAKIGVCW-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCNC2)C1 230401374 487074135 /nfs/dbraw/zinc/07/41/35/487074135.db2.gz LHWGIUOYLATTTR-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCNC1 230651030 487074252 /nfs/dbraw/zinc/07/42/52/487074252.db2.gz SMMYGFWAWZOERK-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCNC1 230651016 487074382 /nfs/dbraw/zinc/07/43/82/487074382.db2.gz SMMYGFWAWZOERK-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC2)C1 230401378 487074697 /nfs/dbraw/zinc/07/46/97/487074697.db2.gz LHWGIUOYLATTTR-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO CCC(C)(CC)[NH2+]CCCN 230954026 487076529 /nfs/dbraw/zinc/07/65/29/487076529.db2.gz RGMRWMHZSRFTBZ-UHFFFAOYSA-N 1 3 158.289 1.504 10 0 ADAEHO CC(C)C1CC([NH2+]CCCN)C1 232560181 487082707 /nfs/dbraw/zinc/08/27/07/487082707.db2.gz WUASSWWVRPULBX-UHFFFAOYSA-N 1 3 170.300 1.359 10 0 ADAEHO C1CC([NH2+]CC2(C3CC3)CC2)CCN1 232568501 487083459 /nfs/dbraw/zinc/08/34/59/487083459.db2.gz DCEDSHLDTXEFFI-UHFFFAOYSA-N 1 3 194.322 1.518 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]CC1(C)CC1 232712704 487084234 /nfs/dbraw/zinc/08/42/34/487084234.db2.gz MWSDEPITZYSNRD-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@H]([NH3+])CCNCC1(C)CC1 232712704 487084243 /nfs/dbraw/zinc/08/42/43/487084243.db2.gz MWSDEPITZYSNRD-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)C1(C[NH2+]C2CCNCC2)CC1 232659347 487084365 /nfs/dbraw/zinc/08/43/65/487084365.db2.gz MZJUGMCVHLFYSX-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)C(C)(C)C[NH2+][C@@H]1CCNC1 232774316 487084415 /nfs/dbraw/zinc/08/44/15/487084415.db2.gz IVGPUEAYGHOMLZ-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO CC1(C[N@@H+]2CC[C@H](CN)C2)CCC1 232827808 487085186 /nfs/dbraw/zinc/08/51/86/487085186.db2.gz OOIUMEYEUJOAQR-SNVBAGLBSA-N 1 3 182.311 1.457 10 0 ADAEHO CC1(C[N@H+]2CC[C@H](CN)C2)CCC1 232827808 487085192 /nfs/dbraw/zinc/08/51/92/487085192.db2.gz OOIUMEYEUJOAQR-SNVBAGLBSA-N 1 3 182.311 1.457 10 0 ADAEHO CC1(C[N@@H+]2CC[C@@H](CN)C2)CCC1 232827178 487085211 /nfs/dbraw/zinc/08/52/11/487085211.db2.gz OOIUMEYEUJOAQR-JTQLQIEISA-N 1 3 182.311 1.457 10 0 ADAEHO CC1(C[N@H+]2CC[C@@H](CN)C2)CCC1 232827178 487085214 /nfs/dbraw/zinc/08/52/14/487085214.db2.gz OOIUMEYEUJOAQR-JTQLQIEISA-N 1 3 182.311 1.457 10 0 ADAEHO CC(C)C(C)(C)C[NH2+][C@H]1CCNC1 232789666 487085831 /nfs/dbraw/zinc/08/58/31/487085831.db2.gz IVGPUEAYGHOMLZ-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO CC1(C[NH2+]CCCNC2CC2)CCC1 232863205 487085911 /nfs/dbraw/zinc/08/59/11/487085911.db2.gz SWYRBYCXVMIJBA-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(C[NH2+]CCCN)CCC1 232811124 487086027 /nfs/dbraw/zinc/08/60/27/487086027.db2.gz MXEKTIKFYMOZBF-UHFFFAOYSA-N 1 3 156.273 1.115 10 0 ADAEHO CC1(CNC[C@@H]2CCCC[NH2+]2)CCC1 232889654 487086514 /nfs/dbraw/zinc/08/65/14/487086514.db2.gz NFMKRVHZDAKVBB-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CCC1(C[NH2+][C@H]2CCCNCC2)CC1 232881888 487086535 /nfs/dbraw/zinc/08/65/35/487086535.db2.gz XZEYLOIVYCYRLE-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CCC1(C[NH2+][C@H]2CCNC2)CCC1 232887162 487086566 /nfs/dbraw/zinc/08/65/66/487086566.db2.gz ZGXIJTWZULZGGY-JTQLQIEISA-N 1 3 182.311 1.518 10 0 ADAEHO CC1(C[NH2+]C[C@H]2CCCNC2)CCC1 232909612 487086725 /nfs/dbraw/zinc/08/67/25/487086725.db2.gz ZWTZMYALNXDDLM-NSHDSACASA-N 1 3 196.338 1.766 10 0 ADAEHO CC1(CNC[C@H]2CCCC[NH2+]2)CCC1 232908275 487086737 /nfs/dbraw/zinc/08/67/37/487086737.db2.gz NFMKRVHZDAKVBB-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(CNC[C@]2(C)CC[NH2+]C2)CCC1 232915695 487086875 /nfs/dbraw/zinc/08/68/75/487086875.db2.gz WYJGTOHQQWOJBB-GFCCVEGCSA-N 1 3 196.338 1.766 10 0 ADAEHO CC1(CNC[C@@]2(C)CC[NH2+]C2)CCC1 232898494 487086990 /nfs/dbraw/zinc/08/69/90/487086990.db2.gz WYJGTOHQQWOJBB-LBPRGKRZSA-N 1 3 196.338 1.766 10 0 ADAEHO CC1(C[NH2+]C[C@@H]2CCCNC2)CCC1 232891333 487087047 /nfs/dbraw/zinc/08/70/47/487087047.db2.gz ZWTZMYALNXDDLM-LLVKDONJSA-N 1 3 196.338 1.766 10 0 ADAEHO CCC1(C[NH2+][C@H]2CCNC2)CCCC1 232887221 487087066 /nfs/dbraw/zinc/08/70/66/487087066.db2.gz OHZDYBATJHSKMR-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCC1 233029161 487087836 /nfs/dbraw/zinc/08/78/36/487087836.db2.gz GDBAHWVGOMSOPS-MNOVXSKESA-N 1 3 196.338 1.894 10 0 ADAEHO CCC1(C[NH2+]C2CCNCC2)CCC1 232993357 487087911 /nfs/dbraw/zinc/08/79/11/487087911.db2.gz ANEKCRHEYMVZTQ-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCC1 233023191 487088104 /nfs/dbraw/zinc/08/81/04/487088104.db2.gz GDBAHWVGOMSOPS-WDEREUQCSA-N 1 3 196.338 1.894 10 0 ADAEHO CCCC1(C[NH2+]C2CCNCC2)CC1 232952064 487088132 /nfs/dbraw/zinc/08/81/32/487088132.db2.gz LVGCGDBFKFHRPX-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CCC1(C[NH2+]C2CCNCC2)CC1 232993302 487088254 /nfs/dbraw/zinc/08/82/54/487088254.db2.gz PEVFADPHLMBAID-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCC1 233022252 487088450 /nfs/dbraw/zinc/08/84/50/487088450.db2.gz GDBAHWVGOMSOPS-GHMZBOCLSA-N 1 3 196.338 1.894 10 0 ADAEHO CCC1(C[NH2+][C@@H]2CCNC2)CCC1 233089697 487088960 /nfs/dbraw/zinc/08/89/60/487088960.db2.gz ZGXIJTWZULZGGY-SNVBAGLBSA-N 1 3 182.311 1.518 10 0 ADAEHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)CCC1 233029939 487089075 /nfs/dbraw/zinc/08/90/75/487089075.db2.gz GDBAHWVGOMSOPS-QWRGUYRKSA-N 1 3 196.338 1.894 10 0 ADAEHO CCC[C@@H](C)[NH2+]CC[C@@H](C)N 233280732 487089086 /nfs/dbraw/zinc/08/90/86/487089086.db2.gz GOVUUOVLTVWIRL-RKDXNWHRSA-N 1 3 158.289 1.502 10 0 ADAEHO CCC[C@@H](C)N[C@@H]1CCCC[NH2+]C1 233278987 487089105 /nfs/dbraw/zinc/08/91/05/487089105.db2.gz AAUUAFQIGIQXGM-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO CCC1(C[NH2+][C@@H]2CCNC2)CCCC1 233089705 487089356 /nfs/dbraw/zinc/08/93/56/487089356.db2.gz OHZDYBATJHSKMR-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CCC1(C[NH2+][C@@H]2CCCNCC2)CC1 233088483 487089393 /nfs/dbraw/zinc/08/93/93/487089393.db2.gz XZEYLOIVYCYRLE-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CCC[C@@H](C)N[C@H]1CCCC[NH2+]C1 233279534 487089524 /nfs/dbraw/zinc/08/95/24/487089524.db2.gz AAUUAFQIGIQXGM-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+]C1CCNCC1 233305521 487090236 /nfs/dbraw/zinc/09/02/36/487090236.db2.gz UEEWTFFEBHRLIB-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@@H]1C[C@H]1NC1CC[NH2+]CC1 233305521 487090241 /nfs/dbraw/zinc/09/02/41/487090241.db2.gz UEEWTFFEBHRLIB-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H](C)[NH2+]CC[C@@H](C)N 233337388 487090581 /nfs/dbraw/zinc/09/05/81/487090581.db2.gz GOVUUOVLTVWIRL-BDAKNGLRSA-N 1 3 158.289 1.502 10 0 ADAEHO CCC[C@H](C)CN1C[C@@H](C)[C@@H]([NH3+])C1 233326417 487090631 /nfs/dbraw/zinc/09/06/31/487090631.db2.gz CWUSSRAGFGDHQF-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCNCC1 233309672 487090773 /nfs/dbraw/zinc/09/07/73/487090773.db2.gz FHSXMAFOHTUZHZ-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@H]1N[C@@H]1CCC[NH2+]CC1 233309672 487090781 /nfs/dbraw/zinc/09/07/81/487090781.db2.gz FHSXMAFOHTUZHZ-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@H](C)N[C@@H]1CCCC[NH2+]C1 233338751 487091273 /nfs/dbraw/zinc/09/12/73/487091273.db2.gz AAUUAFQIGIQXGM-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO CCC[C@H]1C[C@H]1[NH2+]C1CCNCC1 233394740 487091348 /nfs/dbraw/zinc/09/13/48/487091348.db2.gz UEEWTFFEBHRLIB-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H]1C[C@H]1NC1CC[NH2+]CC1 233394740 487091350 /nfs/dbraw/zinc/09/13/50/487091350.db2.gz UEEWTFFEBHRLIB-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H]1C[C@@H]1[NH2+]C1CCNCC1 233401469 487091957 /nfs/dbraw/zinc/09/19/57/487091957.db2.gz UEEWTFFEBHRLIB-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H]1C[C@@H]1NC1CC[NH2+]CC1 233401469 487091961 /nfs/dbraw/zinc/09/19/61/487091961.db2.gz UEEWTFFEBHRLIB-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H](C)N[C@H]1CCCC[NH2+]C1 233339009 487092062 /nfs/dbraw/zinc/09/20/62/487092062.db2.gz AAUUAFQIGIQXGM-QWRGUYRKSA-N 1 3 184.327 1.907 10 0 ADAEHO CC[C@H](C)CN1C[C@@H](C)[C@@H]([NH3+])C1 233978259 487093472 /nfs/dbraw/zinc/09/34/72/487093472.db2.gz WSOWNBVEOUOQEK-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CC2(C)CCC2)C1 234406559 487095794 /nfs/dbraw/zinc/09/57/94/487095794.db2.gz CDUUBPZJVBWYOR-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 234406559 487095801 /nfs/dbraw/zinc/09/58/01/487095801.db2.gz CDUUBPZJVBWYOR-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(CC2(C)CCC2)C1 234406559 487095807 /nfs/dbraw/zinc/09/58/07/487095807.db2.gz CDUUBPZJVBWYOR-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO CNC1CC[NH+](CC2(C)CCC2)CC1 234345527 487096094 /nfs/dbraw/zinc/09/60/94/487096094.db2.gz BCNSLZZAYHATNS-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@H]1CC[N@H+](CC2(C)CCC2)C1 234406185 487096299 /nfs/dbraw/zinc/09/62/99/487096299.db2.gz CDUUBPZJVBWYOR-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CC2(C)CCC2)C1 234406185 487096303 /nfs/dbraw/zinc/09/63/03/487096303.db2.gz CDUUBPZJVBWYOR-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+]C[C@H]1CCN(CC2(C)CCC2)C1 234406185 487096308 /nfs/dbraw/zinc/09/63/08/487096308.db2.gz CDUUBPZJVBWYOR-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CNCCC[NH2+]CC1(C)CCC1 234352756 487096346 /nfs/dbraw/zinc/09/63/46/487096346.db2.gz PGUHGQKDRSIEEG-UHFFFAOYSA-N 1 3 170.300 1.376 10 0 ADAEHO C[NH2+][C@@H](C)CNCC1(C)CCC1 234431458 487097076 /nfs/dbraw/zinc/09/70/76/487097076.db2.gz IQHCJEPGDWTQGD-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO C[NH2+][C@H](C)CNCC1(C)CCC1 234437636 487097429 /nfs/dbraw/zinc/09/74/29/487097429.db2.gz IQHCJEPGDWTQGD-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO CN(C)C1CC[NH+](CC2(C)CC2)CC1 683826475 487099914 /nfs/dbraw/zinc/09/99/14/487099914.db2.gz FUWJPKOFCCYWNV-UHFFFAOYSA-N 1 3 196.338 1.813 10 0 ADAEHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C(C)(C)C 235187938 487100113 /nfs/dbraw/zinc/10/01/13/487100113.db2.gz FTHVAJSOZYXASX-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1(C)CCC1 235154237 487100237 /nfs/dbraw/zinc/10/02/37/487100237.db2.gz SXCDYUIEVOQZCP-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1(C)CC1 235154189 487100575 /nfs/dbraw/zinc/10/05/75/487100575.db2.gz FOROBLKBSGYMRB-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]([NH2+]C[C@H]1CCCN1)C(C)(C)C 235212368 487100812 /nfs/dbraw/zinc/10/08/12/487100812.db2.gz FTHVAJSOZYXASX-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC1(C)CCC1 235097206 487100904 /nfs/dbraw/zinc/10/09/04/487100904.db2.gz FQIGFPVQLKNYQR-VIFPVBQESA-N 1 3 170.300 1.361 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCN 235300598 487102316 /nfs/dbraw/zinc/10/23/16/487102316.db2.gz XJAFUBKODOOIFM-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCN 235292291 487102246 /nfs/dbraw/zinc/10/22/46/487102246.db2.gz XJAFUBKODOOIFM-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1(C)CCC1 235487601 487104457 /nfs/dbraw/zinc/10/44/57/487104457.db2.gz SXCDYUIEVOQZCP-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H](CN)C[NH2+]CC1(C)CCC1 235461753 487104762 /nfs/dbraw/zinc/10/47/62/487104762.db2.gz FQIGFPVQLKNYQR-SECBINFHSA-N 1 3 170.300 1.361 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1CCCN1)C(C)(C)C 235515912 487104930 /nfs/dbraw/zinc/10/49/30/487104930.db2.gz FTHVAJSOZYXASX-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1(C)CC1 235487590 487105043 /nfs/dbraw/zinc/10/50/43/487105043.db2.gz FOROBLKBSGYMRB-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCN 235575640 487105958 /nfs/dbraw/zinc/10/59/58/487105958.db2.gz XJAFUBKODOOIFM-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1CCCN1)C(C)(C)C 235530303 487106188 /nfs/dbraw/zinc/10/61/88/487106188.db2.gz FTHVAJSOZYXASX-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCN 235588763 487106345 /nfs/dbraw/zinc/10/63/45/487106345.db2.gz XJAFUBKODOOIFM-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)=CCCN1CCC[C@H]1C[NH3+] 238145631 487108776 /nfs/dbraw/zinc/10/87/76/487108776.db2.gz BHUJTKHVUYVEKY-NSHDSACASA-N 1 3 182.311 1.766 10 0 ADAEHO [NH3+]C[C@@H]1CCCN1CCC1CCCC1 238559157 487110033 /nfs/dbraw/zinc/11/00/33/487110033.db2.gz KEHXDQUJCHDWDU-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H]1CN 251228087 487116173 /nfs/dbraw/zinc/11/61/73/487116173.db2.gz PSQWHUGQUBGONO-ADEWGFFLSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H]1CN 251228089 487116571 /nfs/dbraw/zinc/11/65/71/487116571.db2.gz PSQWHUGQUBGONO-USWWRNFRSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 251246503 487116598 /nfs/dbraw/zinc/11/65/98/487116598.db2.gz BHJDTWDZQKZCAJ-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CN 251293253 487116629 /nfs/dbraw/zinc/11/66/29/487116629.db2.gz GRFWVGAUOQJTEL-GRYCIOLGSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN 251347753 487117048 /nfs/dbraw/zinc/11/70/48/487117048.db2.gz LUCSCVRXMURHNU-LPEHRKFASA-N 1 3 170.300 1.502 10 0 ADAEHO CNC[C@@H]1CCC[N@@H+]([C@H](C)C(C)C)C1 251339000 487117099 /nfs/dbraw/zinc/11/70/99/487117099.db2.gz PWFLYUHVMMHMDG-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1CCC[N@H+]([C@H](C)C(C)C)C1 251339000 487117104 /nfs/dbraw/zinc/11/71/04/487117104.db2.gz PWFLYUHVMMHMDG-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1CC[N@@H+]([C@H](C)C(C)C)C1 251342563 487117179 /nfs/dbraw/zinc/11/71/79/487117179.db2.gz QLJYMWVQTHQIPR-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H]1CC[N@H+]([C@H](C)C(C)C)C1 251342563 487117185 /nfs/dbraw/zinc/11/71/85/487117185.db2.gz QLJYMWVQTHQIPR-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN 251347752 487117235 /nfs/dbraw/zinc/11/72/35/487117235.db2.gz LUCSCVRXMURHNU-GUBZILKMSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN 251338102 487117359 /nfs/dbraw/zinc/11/73/59/487117359.db2.gz OJTUEBIIOMYSGK-DCAQKATOSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H]1CN 251372808 487117429 /nfs/dbraw/zinc/11/74/29/487117429.db2.gz XQPBWFCVTCUTQA-DCAQKATOSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN 251372810 487117446 /nfs/dbraw/zinc/11/74/46/487117446.db2.gz XQPBWFCVTCUTQA-GARJFASQSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@H]1CN 251293257 487117660 /nfs/dbraw/zinc/11/76/60/487117660.db2.gz GRFWVGAUOQJTEL-WOPDTQHZSA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN 251338103 487117577 /nfs/dbraw/zinc/11/75/77/487117577.db2.gz OJTUEBIIOMYSGK-GARJFASQSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]CCCN)CCC[C@H]1C 251568232 487118251 /nfs/dbraw/zinc/11/82/51/487118251.db2.gz AOPKHTALSHHYNJ-VWYCJHECSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CCCN 251568219 487118500 /nfs/dbraw/zinc/11/85/00/487118500.db2.gz AOPKHTALSHHYNJ-OUAUKWLOSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 251731883 487118935 /nfs/dbraw/zinc/11/89/35/487118935.db2.gz FQVWGRBDGPUIHK-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C 251731777 487119094 /nfs/dbraw/zinc/11/90/94/487119094.db2.gz FQDJGWXKUQAZCK-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C 251731777 487119101 /nfs/dbraw/zinc/11/91/01/487119101.db2.gz FQDJGWXKUQAZCK-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N(C)C[C@H]1CC[NH2+]C1 251731880 487119165 /nfs/dbraw/zinc/11/91/65/487119165.db2.gz FQVWGRBDGPUIHK-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CN(CCCF)CC[C@H]1[NH3+] 251643964 487119201 /nfs/dbraw/zinc/11/92/01/487119201.db2.gz GDAGKMADKACVIC-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO CC[C@H]1CN(CCCF)CC[C@H]1[NH3+] 251643972 487119477 /nfs/dbraw/zinc/11/94/77/487119477.db2.gz GDAGKMADKACVIC-VHSXEESVSA-N 1 3 188.290 1.405 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C 251731775 487119779 /nfs/dbraw/zinc/11/97/79/487119779.db2.gz FQDJGWXKUQAZCK-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C 251731775 487119786 /nfs/dbraw/zinc/11/97/86/487119786.db2.gz FQDJGWXKUQAZCK-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)N)C1 251858822 487120249 /nfs/dbraw/zinc/12/02/49/487120249.db2.gz OCTWMTOUGRSPEO-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)N)C1 251858822 487120253 /nfs/dbraw/zinc/12/02/53/487120253.db2.gz OCTWMTOUGRSPEO-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCNC1 251783011 487120386 /nfs/dbraw/zinc/12/03/86/487120386.db2.gz JFBJFTFZAHGXSC-AXFHLTTASA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCNC1 251783015 487120416 /nfs/dbraw/zinc/12/04/16/487120416.db2.gz JFBJFTFZAHGXSC-DCAQKATOSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@H](C)CC)CC[C@H]1N 251869906 487120558 /nfs/dbraw/zinc/12/05/58/487120558.db2.gz UHTMFXZUMXAMPO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@H](C)CC)CC[C@H]1N 251869906 487120564 /nfs/dbraw/zinc/12/05/64/487120564.db2.gz UHTMFXZUMXAMPO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1CN([C@H](C)CC)CC[C@H]1[NH3+] 251869906 487120568 /nfs/dbraw/zinc/12/05/68/487120568.db2.gz UHTMFXZUMXAMPO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](CC)C1 251869908 487121142 /nfs/dbraw/zinc/12/11/42/487121142.db2.gz UHTMFXZUMXAMPO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](CC)C1 251869908 487121144 /nfs/dbraw/zinc/12/11/44/487121144.db2.gz UHTMFXZUMXAMPO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](CC)C1 251869908 487121147 /nfs/dbraw/zinc/12/11/47/487121147.db2.gz UHTMFXZUMXAMPO-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)N)C1 251858821 487121169 /nfs/dbraw/zinc/12/11/69/487121169.db2.gz OCTWMTOUGRSPEO-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@H]([C@H](C)N)C1 251858821 487121172 /nfs/dbraw/zinc/12/11/72/487121172.db2.gz OCTWMTOUGRSPEO-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@H](C)CC)CC[C@@H]1N 251869910 487121252 /nfs/dbraw/zinc/12/12/52/487121252.db2.gz UHTMFXZUMXAMPO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@H](C)CC)CC[C@@H]1N 251869910 487121256 /nfs/dbraw/zinc/12/12/56/487121256.db2.gz UHTMFXZUMXAMPO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1CN([C@H](C)CC)CC[C@@H]1[NH3+] 251869910 487121259 /nfs/dbraw/zinc/12/12/59/487121259.db2.gz UHTMFXZUMXAMPO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 252102362 487121492 /nfs/dbraw/zinc/12/14/92/487121492.db2.gz GLNMSWPBZYSSAW-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]CCCN)C[C@H]1C 251981341 487121653 /nfs/dbraw/zinc/12/16/53/487121653.db2.gz YTCRKFKJGHCZCY-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 252102360 487121747 /nfs/dbraw/zinc/12/17/47/487121747.db2.gz GLNMSWPBZYSSAW-NOOOWODRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 252102361 487121939 /nfs/dbraw/zinc/12/19/39/487121939.db2.gz GLNMSWPBZYSSAW-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]CCCN)C[C@H]1C 251981340 487122459 /nfs/dbraw/zinc/12/24/59/487122459.db2.gz YTCRKFKJGHCZCY-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN 252193115 487122804 /nfs/dbraw/zinc/12/28/04/487122804.db2.gz VEQFNAMDGCFIBU-YTWAJWBKSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN 252193118 487122903 /nfs/dbraw/zinc/12/29/03/487122903.db2.gz VEQFNAMDGCFIBU-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@H]1CCCNCC1 252152323 487123090 /nfs/dbraw/zinc/12/30/90/487123090.db2.gz OSUSEMKPAJOHLC-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H]1CCCNCC1 252152323 487123095 /nfs/dbraw/zinc/12/30/95/487123095.db2.gz OSUSEMKPAJOHLC-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN 252193112 487123278 /nfs/dbraw/zinc/12/32/78/487123278.db2.gz VEQFNAMDGCFIBU-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 252155573 487123312 /nfs/dbraw/zinc/12/33/12/487123312.db2.gz PCRMPLIFMBEIJO-IMSYWVGJSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CCCNCC1 252152324 487123334 /nfs/dbraw/zinc/12/33/34/487123334.db2.gz OSUSEMKPAJOHLC-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CCCNCC1 252152324 487123337 /nfs/dbraw/zinc/12/33/37/487123337.db2.gz OSUSEMKPAJOHLC-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 252155574 487123399 /nfs/dbraw/zinc/12/33/99/487123399.db2.gz PCRMPLIFMBEIJO-KATARQTJSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]CCCN 252206426 487123477 /nfs/dbraw/zinc/12/34/77/487123477.db2.gz VFFCEDLBCXYUCN-URLYPYJESA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 252155575 487123552 /nfs/dbraw/zinc/12/35/52/487123552.db2.gz PCRMPLIFMBEIJO-RGOKHQFPSA-N 1 3 168.284 1.112 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[C@H](C)C1 252641028 487125624 /nfs/dbraw/zinc/12/56/24/487125624.db2.gz LKQVSXGGWNORIN-UTUOFQBUSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H](N)CC[NH2+]CCC(C)(C)C 258783583 487136084 /nfs/dbraw/zinc/13/60/84/487136084.db2.gz PJFGGZYUZMHCJB-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO Cc1cccc(CNCC[C@H](C)[NH3+])c1 258694350 487134877 /nfs/dbraw/zinc/13/48/77/487134877.db2.gz GFUKIBJZTBRYBJ-NSHDSACASA-N 1 3 192.306 1.822 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CCC1 252981302 487130110 /nfs/dbraw/zinc/13/01/10/487130110.db2.gz QMKAWUDBAFIEIT-DLOVCJGASA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C[C@@H]1C[C@H]1C 252960247 487130174 /nfs/dbraw/zinc/13/01/74/487130174.db2.gz MYJNLQTWDCWMCA-OUAUKWLOSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C[C@H]1C[C@H]1C 252960246 487130348 /nfs/dbraw/zinc/13/03/48/487130348.db2.gz MYJNLQTWDCWMCA-GMTAPVOTSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CCC1 252981303 487130583 /nfs/dbraw/zinc/13/05/83/487130583.db2.gz QMKAWUDBAFIEIT-ZMLRMANQSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 253200180 487132589 /nfs/dbraw/zinc/13/25/89/487132589.db2.gz XBHKFSGAAJGMLI-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 253200180 487132592 /nfs/dbraw/zinc/13/25/92/487132592.db2.gz XBHKFSGAAJGMLI-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 253200182 487132641 /nfs/dbraw/zinc/13/26/41/487132641.db2.gz XBHKFSGAAJGMLI-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 253200182 487132644 /nfs/dbraw/zinc/13/26/44/487132644.db2.gz XBHKFSGAAJGMLI-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO Cc1ccccc1CNCC[C@@H](C)[NH3+] 258668451 487134456 /nfs/dbraw/zinc/13/44/56/487134456.db2.gz CMCFXUQRNMMABR-LLVKDONJSA-N 1 3 192.306 1.822 10 0 ADAEHO Cc1ccccc1CNCC[C@H](C)[NH3+] 258668453 487134870 /nfs/dbraw/zinc/13/48/70/487134870.db2.gz CMCFXUQRNMMABR-NSHDSACASA-N 1 3 192.306 1.822 10 0 ADAEHO Cc1ccc(CNCC[C@@H](C)[NH3+])cc1 258602495 487134986 /nfs/dbraw/zinc/13/49/86/487134986.db2.gz AKHLKHNQSLHZTQ-LLVKDONJSA-N 1 3 192.306 1.822 10 0 ADAEHO Cc1ccc(CNCC[C@H](C)[NH3+])cc1 258602499 487134991 /nfs/dbraw/zinc/13/49/91/487134991.db2.gz AKHLKHNQSLHZTQ-NSHDSACASA-N 1 3 192.306 1.822 10 0 ADAEHO Cc1cccc(CNCC[C@@H](C)[NH3+])c1 258694349 487135030 /nfs/dbraw/zinc/13/50/30/487135030.db2.gz GFUKIBJZTBRYBJ-LLVKDONJSA-N 1 3 192.306 1.822 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1CCCCC1 258852421 487135627 /nfs/dbraw/zinc/13/56/27/487135627.db2.gz XOIMWDWCDBXODR-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1CCCCC1 258852425 487135662 /nfs/dbraw/zinc/13/56/62/487135662.db2.gz XOIMWDWCDBXODR-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H](N)CC[NH2+]CCC(C)(C)C 258783581 487136063 /nfs/dbraw/zinc/13/60/63/487136063.db2.gz PJFGGZYUZMHCJB-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)CCC[NH2+]CC[C@H](C)N 258779559 487136145 /nfs/dbraw/zinc/13/61/45/487136145.db2.gz OZJLRHYOFZXNGQ-JTQLQIEISA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)CCC[NH2+]CC[C@@H](C)N 258779562 487136266 /nfs/dbraw/zinc/13/62/66/487136266.db2.gz OZJLRHYOFZXNGQ-SNVBAGLBSA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)(C[NH2+][C@H]1CCNC1)C1CCC1 258966181 487136687 /nfs/dbraw/zinc/13/66/87/487136687.db2.gz LDZCYBKUJJZPCB-NSHDSACASA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)CCCNC[C@H]1CC[NH2+]C1 259016762 487136767 /nfs/dbraw/zinc/13/67/67/487136767.db2.gz YHWWSDQSSOYFAQ-LLVKDONJSA-N 1 3 184.327 1.622 10 0 ADAEHO CC(C)(CC[NH3+])NCc1ccccc1 258950456 487137177 /nfs/dbraw/zinc/13/71/77/487137177.db2.gz LPUPSZYLJMWRPN-UHFFFAOYSA-N 1 3 192.306 1.904 10 0 ADAEHO CC(C)(C[NH2+][C@@H]1CCNC1)C1CCC1 258966179 487137252 /nfs/dbraw/zinc/13/72/52/487137252.db2.gz LDZCYBKUJJZPCB-LLVKDONJSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)(CC[NH3+])NCc1cccs1 258967348 487137261 /nfs/dbraw/zinc/13/72/61/487137261.db2.gz YOTYLSNOFBQSFP-UHFFFAOYSA-N 1 3 198.335 1.965 10 0 ADAEHO CC(C)C[NH2+]C(C)(C)CCN 259101320 487137287 /nfs/dbraw/zinc/13/72/87/487137287.db2.gz ZVRNCFUXUCSAJF-UHFFFAOYSA-N 1 3 158.289 1.359 10 0 ADAEHO CC(C)CCCNC[C@@H]1CC[NH2+]C1 259016765 487137400 /nfs/dbraw/zinc/13/74/00/487137400.db2.gz YHWWSDQSSOYFAQ-NSHDSACASA-N 1 3 184.327 1.622 10 0 ADAEHO CCC[C@H](C)CN1C[C@H](C)[C@H]([NH3+])C1 300047158 487141547 /nfs/dbraw/zinc/14/15/47/487141547.db2.gz CWUSSRAGFGDHQF-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](C)CN1C[C@@H]([NH3+])[C@H](C)C1 300047159 487142092 /nfs/dbraw/zinc/14/20/92/487142092.db2.gz CWUSSRAGFGDHQF-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@H](C)CN1C[C@H](C)[C@@H]([NH3+])C1 300047157 487142331 /nfs/dbraw/zinc/14/23/31/487142331.db2.gz CWUSSRAGFGDHQF-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+][C@H]1CCC[C@H]1C 306179537 487150991 /nfs/dbraw/zinc/15/09/91/487150991.db2.gz ILEQSAZSHCQWSP-NOOOWODRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C 306179540 487151019 /nfs/dbraw/zinc/15/10/19/487151019.db2.gz ILEQSAZSHCQWSP-WISYIIOYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C 306179539 487151093 /nfs/dbraw/zinc/15/10/93/487151093.db2.gz ILEQSAZSHCQWSP-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C 306179541 487151145 /nfs/dbraw/zinc/15/11/45/487151145.db2.gz ILEQSAZSHCQWSP-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 306206843 487151835 /nfs/dbraw/zinc/15/18/35/487151835.db2.gz CMBJDVXTRATHJJ-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C 306475072 487157553 /nfs/dbraw/zinc/15/75/53/487157553.db2.gz HEBMNFFWTNKCLS-GWOFURMSSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]C[C@H]1C[C@H]1C 306475074 487157579 /nfs/dbraw/zinc/15/75/79/487157579.db2.gz HEBMNFFWTNKCLS-YTWAJWBKSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]C[C@H]1C[C@H]1C 306475073 487157889 /nfs/dbraw/zinc/15/78/89/487157889.db2.gz HEBMNFFWTNKCLS-LMLFDSFASA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C 306475071 487157934 /nfs/dbraw/zinc/15/79/34/487157934.db2.gz HEBMNFFWTNKCLS-DBIOUOCHSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H]2CN)C[C@H]1C 306996119 487171478 /nfs/dbraw/zinc/17/14/78/487171478.db2.gz RQRPCHWEUHNZOF-ROHXPCBUSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1CCC1CCC1 306829541 487167368 /nfs/dbraw/zinc/16/73/68/487167368.db2.gz HVMBULCFLCVCLE-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C1CC(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 306899460 487169097 /nfs/dbraw/zinc/16/90/97/487169097.db2.gz DMKNHEQWPOFEQG-VXGBXAGGSA-N 1 3 194.322 1.328 10 0 ADAEHO C1CC(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 306899458 487169208 /nfs/dbraw/zinc/16/92/08/487169208.db2.gz DMKNHEQWPOFEQG-RYUDHWBXSA-N 1 3 194.322 1.328 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)[C@@H]1C 306996118 487171093 /nfs/dbraw/zinc/17/10/93/487171093.db2.gz RQRPCHWEUHNZOF-OOCWMUITSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H]2CN)C[C@H]1C 306996117 487171100 /nfs/dbraw/zinc/17/11/00/487171100.db2.gz RQRPCHWEUHNZOF-IIRVCBMXSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)[C@@H]1C 306996120 487171231 /nfs/dbraw/zinc/17/12/31/487171231.db2.gz RQRPCHWEUHNZOF-ZIQFBCGOSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]CC1(C)CC1 307014818 487172027 /nfs/dbraw/zinc/17/20/27/487172027.db2.gz NDZGVQKGUCTPBT-VHSXEESVSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]CC1(C)CC1 307014817 487172289 /nfs/dbraw/zinc/17/22/89/487172289.db2.gz NDZGVQKGUCTPBT-UWVGGRQHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]CC1(C)CC1 307014816 487172298 /nfs/dbraw/zinc/17/22/98/487172298.db2.gz NDZGVQKGUCTPBT-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1(C)CC1 307014819 487172339 /nfs/dbraw/zinc/17/23/39/487172339.db2.gz NDZGVQKGUCTPBT-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]CC(C)(C)C 307238678 487176801 /nfs/dbraw/zinc/17/68/01/487176801.db2.gz ZFEQMBVLKSKNHP-NXEZZACHSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]CC(C)(C)C 307238679 487176867 /nfs/dbraw/zinc/17/68/67/487176867.db2.gz ZFEQMBVLKSKNHP-UWVGGRQHSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]CC(C)(C)C 307238680 487176933 /nfs/dbraw/zinc/17/69/33/487176933.db2.gz ZFEQMBVLKSKNHP-VHSXEESVSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CC(C)(C)C 307238682 487177193 /nfs/dbraw/zinc/17/71/93/487177193.db2.gz ZFEQMBVLKSKNHP-ZJUUUORDSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1CN(CCC2CCC2)C[C@@H]1[NH3+] 307381624 487180555 /nfs/dbraw/zinc/18/05/55/487180555.db2.gz ACZAXIUAZNUWGH-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CN(CCC2CCC2)C[C@H]1[NH3+] 307381622 487180487 /nfs/dbraw/zinc/18/04/87/487180487.db2.gz ACZAXIUAZNUWGH-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CN(CCC2CCC2)C[C@@H]1[NH3+] 307381628 487180529 /nfs/dbraw/zinc/18/05/29/487180529.db2.gz ACZAXIUAZNUWGH-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1[NH2+]CCC[C@H]1NCC1(C)CCC1 307406962 487180754 /nfs/dbraw/zinc/18/07/54/487180754.db2.gz GKYWBFKMLVFPDY-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(C)CCC1 307406970 487181163 /nfs/dbraw/zinc/18/11/63/487181163.db2.gz GKYWBFKMLVFPDY-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(C)CCC1 307406964 487181267 /nfs/dbraw/zinc/18/12/67/487181267.db2.gz GKYWBFKMLVFPDY-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 307532982 487182950 /nfs/dbraw/zinc/18/29/50/487182950.db2.gz HIJAOVYAGUJHBF-IYKVGLELSA-N 1 3 194.322 1.644 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 307532971 487183204 /nfs/dbraw/zinc/18/32/04/487183204.db2.gz HIJAOVYAGUJHBF-CSYMLDBXSA-N 1 3 194.322 1.644 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H]1CCNC[C@H]1C 307587590 487185184 /nfs/dbraw/zinc/18/51/84/487185184.db2.gz UQIQMUJCDJSZPQ-LDMBFOFVSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+][C@H]2CCNC[C@H]2C)[C@@H]1C 307587591 487185254 /nfs/dbraw/zinc/18/52/54/487185254.db2.gz UQIQMUJCDJSZPQ-MTVMDMGHSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+][C@H]2CCNC[C@H]2C)[C@H]1C 307587589 487185477 /nfs/dbraw/zinc/18/54/77/487185477.db2.gz UQIQMUJCDJSZPQ-KZZRWZIVSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[C@H]1C 307587592 487185554 /nfs/dbraw/zinc/18/55/54/487185554.db2.gz UQIQMUJCDJSZPQ-PZWNZHSQSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H](C)CN1CC[C@H]([NH3+])[C@H]1C 307605788 487186048 /nfs/dbraw/zinc/18/60/48/487186048.db2.gz ZHLURISIUPKODQ-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)CN1CC[C@H]([NH3+])[C@@H]1C 307605789 487186170 /nfs/dbraw/zinc/18/61/70/487186170.db2.gz ZHLURISIUPKODQ-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)CN1CC[C@@H]([NH3+])[C@H]1C 307605790 487186186 /nfs/dbraw/zinc/18/61/86/487186186.db2.gz ZHLURISIUPKODQ-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)CN1CC[C@@H]([NH3+])[C@@H]1C 307605791 487186404 /nfs/dbraw/zinc/18/64/04/487186404.db2.gz ZHLURISIUPKODQ-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccccc1 307640258 487186724 /nfs/dbraw/zinc/18/67/24/487186724.db2.gz GTUGLZABRYMCDQ-NXEZZACHSA-N 1 3 178.279 1.512 10 0 ADAEHO C[C@H](N)[C@H](C)[NH2+]Cc1ccccc1 307640259 487186879 /nfs/dbraw/zinc/18/68/79/487186879.db2.gz GTUGLZABRYMCDQ-UWVGGRQHSA-N 1 3 178.279 1.512 10 0 ADAEHO C[C@H]([NH2+]Cc1ccccc1)[C@@H](C)N 307640261 487186894 /nfs/dbraw/zinc/18/68/94/487186894.db2.gz GTUGLZABRYMCDQ-ZJUUUORDSA-N 1 3 178.279 1.512 10 0 ADAEHO C[C@H](N)[C@@H](C)[NH2+]Cc1ccccc1 307640260 487187164 /nfs/dbraw/zinc/18/71/64/487187164.db2.gz GTUGLZABRYMCDQ-VHSXEESVSA-N 1 3 178.279 1.512 10 0 ADAEHO CN(CC1(C)CCC1)C1CC[NH2+]CC1 307731643 487190253 /nfs/dbraw/zinc/19/02/53/487190253.db2.gz KMMWHDAIJUJIIQ-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]CCN[C@@H](C)CC(C)C 307920057 487191563 /nfs/dbraw/zinc/19/15/63/487191563.db2.gz IJGDCGYHTFKYLD-VIFPVBQESA-N 1 3 158.289 1.230 10 0 ADAEHO C[NH2+]CCN[C@H](C)CC(C)C 307920056 487191859 /nfs/dbraw/zinc/19/18/59/487191859.db2.gz IJGDCGYHTFKYLD-SECBINFHSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[NH2+]CCN[C@@H](C)CC(C)C 308010107 487193549 /nfs/dbraw/zinc/19/35/49/487193549.db2.gz PAXGAGJEWAISRN-JTQLQIEISA-N 1 3 172.316 1.620 10 0 ADAEHO CC[NH2+]CCN[C@H](C)CC(C)C 308010117 487193599 /nfs/dbraw/zinc/19/35/99/487193599.db2.gz PAXGAGJEWAISRN-SNVBAGLBSA-N 1 3 172.316 1.620 10 0 ADAEHO Cc1ccsc1C[NH2+][C@H](C)[C@H](C)N 308129006 487193822 /nfs/dbraw/zinc/19/38/22/487193822.db2.gz GXWNFTSKENBVAJ-DTWKUNHWSA-N 1 3 198.335 1.882 10 0 ADAEHO Cc1ccsc1C[NH2+][C@H](C)[C@@H](C)N 308129011 487193954 /nfs/dbraw/zinc/19/39/54/487193954.db2.gz GXWNFTSKENBVAJ-RKDXNWHRSA-N 1 3 198.335 1.882 10 0 ADAEHO Cc1ccsc1C[NH2+][C@@H](C)[C@@H](C)N 308129002 487194255 /nfs/dbraw/zinc/19/42/55/487194255.db2.gz GXWNFTSKENBVAJ-BDAKNGLRSA-N 1 3 198.335 1.882 10 0 ADAEHO Cc1ccsc1C[NH2+][C@@H](C)[C@H](C)N 308129009 487194320 /nfs/dbraw/zinc/19/43/20/487194320.db2.gz GXWNFTSKENBVAJ-IUCAKERBSA-N 1 3 198.335 1.882 10 0 ADAEHO CC(C)C[C@H](C)NCC[NH2+]C1CC1 308188589 487195935 /nfs/dbraw/zinc/19/59/35/487195935.db2.gz LSSQOGDNXXTSLC-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)C[C@@H](C)NCC[NH2+]C1CC1 308188590 487196165 /nfs/dbraw/zinc/19/61/65/487196165.db2.gz LSSQOGDNXXTSLC-SNVBAGLBSA-N 1 3 184.327 1.763 10 0 ADAEHO N[C@H]1CCC[C@@H]([NH2+]CCCCF)C1 308201876 487196599 /nfs/dbraw/zinc/19/65/99/487196599.db2.gz QJRXXBMWLJUTOQ-VHSXEESVSA-N 1 3 188.290 1.596 10 0 ADAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)s1 308212967 487196679 /nfs/dbraw/zinc/19/66/79/487196679.db2.gz XQJITHZDGBFLAR-BDAKNGLRSA-N 1 3 198.335 1.882 10 0 ADAEHO N[C@H]1CCC[C@H]([NH2+]CCCCF)C1 308201875 487196711 /nfs/dbraw/zinc/19/67/11/487196711.db2.gz QJRXXBMWLJUTOQ-UWVGGRQHSA-N 1 3 188.290 1.596 10 0 ADAEHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)N)s1 308212968 487196821 /nfs/dbraw/zinc/19/68/21/487196821.db2.gz XQJITHZDGBFLAR-DTWKUNHWSA-N 1 3 198.335 1.882 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH2+]CCCCF)C1 308201877 487196866 /nfs/dbraw/zinc/19/68/66/487196866.db2.gz QJRXXBMWLJUTOQ-ZJUUUORDSA-N 1 3 188.290 1.596 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH2+]CCCCF)C1 308201874 487196903 /nfs/dbraw/zinc/19/69/03/487196903.db2.gz QJRXXBMWLJUTOQ-NXEZZACHSA-N 1 3 188.290 1.596 10 0 ADAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N)s1 308212969 487196960 /nfs/dbraw/zinc/19/69/60/487196960.db2.gz XQJITHZDGBFLAR-IUCAKERBSA-N 1 3 198.335 1.882 10 0 ADAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N)s1 308212970 487197010 /nfs/dbraw/zinc/19/70/10/487197010.db2.gz XQJITHZDGBFLAR-RKDXNWHRSA-N 1 3 198.335 1.882 10 0 ADAEHO Cc1ccccc1C[NH2+][C@H](C)[C@H](C)N 308653639 487205820 /nfs/dbraw/zinc/20/58/20/487205820.db2.gz MBWBPGVEVRTLIP-WDEREUQCSA-N 1 3 192.306 1.820 10 0 ADAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])[C@H]1C 308226530 487197350 /nfs/dbraw/zinc/19/73/50/487197350.db2.gz QXMUNMZRLBKKTR-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 308641256 487205941 /nfs/dbraw/zinc/20/59/41/487205941.db2.gz DDYPAQICTCYPFM-WDEREUQCSA-N 1 3 192.306 1.820 10 0 ADAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])[C@@H]1C 308226528 487197461 /nfs/dbraw/zinc/19/74/61/487197461.db2.gz QXMUNMZRLBKKTR-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])[C@@H]1C 308226529 487197566 /nfs/dbraw/zinc/19/75/66/487197566.db2.gz QXMUNMZRLBKKTR-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])[C@H]1C 308226527 487197766 /nfs/dbraw/zinc/19/77/66/487197766.db2.gz QXMUNMZRLBKKTR-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC1CCC(C[NH2+]C[C@@H](C)CN)CC1 308588429 487204452 /nfs/dbraw/zinc/20/44/52/487204452.db2.gz UCQPWFNLWZFGRM-CXQJBGSLSA-N 1 3 198.354 1.997 10 0 ADAEHO CC1CCC(C[NH2+]C[C@H](C)CN)CC1 308588430 487204491 /nfs/dbraw/zinc/20/44/91/487204491.db2.gz UCQPWFNLWZFGRM-MOENNCHZSA-N 1 3 198.354 1.997 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@H]1CCNC[C@H]1C 308654199 487205774 /nfs/dbraw/zinc/20/57/74/487205774.db2.gz MIZLVINGRWNSTI-FOGDFJRCSA-N 1 3 196.338 1.763 10 0 ADAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 308641254 487205847 /nfs/dbraw/zinc/20/58/47/487205847.db2.gz DDYPAQICTCYPFM-MNOVXSKESA-N 1 3 192.306 1.820 10 0 ADAEHO Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)N 308653638 487206049 /nfs/dbraw/zinc/20/60/49/487206049.db2.gz MBWBPGVEVRTLIP-QWRGUYRKSA-N 1 3 192.306 1.820 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+][C@H](C)CC1CC1 308654200 487206112 /nfs/dbraw/zinc/20/61/12/487206112.db2.gz MIZLVINGRWNSTI-HOSYDEDBSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+][C@H](C)CC1CC1 308654201 487206210 /nfs/dbraw/zinc/20/62/10/487206210.db2.gz MIZLVINGRWNSTI-UMNHJUIQSA-N 1 3 196.338 1.763 10 0 ADAEHO Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)N 308653635 487206321 /nfs/dbraw/zinc/20/63/21/487206321.db2.gz MBWBPGVEVRTLIP-GHMZBOCLSA-N 1 3 192.306 1.820 10 0 ADAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 308641253 487206368 /nfs/dbraw/zinc/20/63/68/487206368.db2.gz DDYPAQICTCYPFM-GHMZBOCLSA-N 1 3 192.306 1.820 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@@H]1CCNC[C@H]1C 308654198 487206377 /nfs/dbraw/zinc/20/63/77/487206377.db2.gz MIZLVINGRWNSTI-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)N 308653636 487206423 /nfs/dbraw/zinc/20/64/23/487206423.db2.gz MBWBPGVEVRTLIP-MNOVXSKESA-N 1 3 192.306 1.820 10 0 ADAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 308641255 487206201 /nfs/dbraw/zinc/20/62/01/487206201.db2.gz DDYPAQICTCYPFM-QWRGUYRKSA-N 1 3 192.306 1.820 10 0 ADAEHO C[C@H]([NH2+]Cc1cccs1)[C@@H](C)N 379320987 487237387 /nfs/dbraw/zinc/23/73/87/487237387.db2.gz ZHGDKKWKENSUCA-SFYZADRCSA-N 1 3 184.308 1.573 10 0 ADAEHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccs1 379320985 487237461 /nfs/dbraw/zinc/23/74/61/487237461.db2.gz ZHGDKKWKENSUCA-HTQZYQBOSA-N 1 3 184.308 1.573 10 0 ADAEHO C[C@H](N)[C@@H](C)[NH2+]Cc1cccs1 379320986 487237563 /nfs/dbraw/zinc/23/75/63/487237563.db2.gz ZHGDKKWKENSUCA-JGVFFNPUSA-N 1 3 184.308 1.573 10 0 ADAEHO C[C@H](N)[C@H](C)[NH2+]Cc1cccs1 379320988 487237883 /nfs/dbraw/zinc/23/78/83/487237883.db2.gz ZHGDKKWKENSUCA-YUMQZZPRSA-N 1 3 184.308 1.573 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@H]1CCCSC1 379328570 487238249 /nfs/dbraw/zinc/23/82/49/487238249.db2.gz QCGZQCGDWCINFY-IUCAKERBSA-N 1 3 188.340 1.066 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1CCCSC1 379328571 487238286 /nfs/dbraw/zinc/23/82/86/487238286.db2.gz QCGZQCGDWCINFY-RKDXNWHRSA-N 1 3 188.340 1.066 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H]1CCCSC1 379328569 487238645 /nfs/dbraw/zinc/23/86/45/487238645.db2.gz QCGZQCGDWCINFY-DTWKUNHWSA-N 1 3 188.340 1.066 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H]1CCCSC1 379328568 487238682 /nfs/dbraw/zinc/23/86/82/487238682.db2.gz QCGZQCGDWCINFY-BDAKNGLRSA-N 1 3 188.340 1.066 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CCNC[C@H]1C 379347763 487238841 /nfs/dbraw/zinc/23/88/41/487238841.db2.gz IBUUOIPWEVCCLC-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C 379347762 487238944 /nfs/dbraw/zinc/23/89/44/487238944.db2.gz IBUUOIPWEVCCLC-GARJFASQSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@H](C)C[NH2+][C@H]1CCNC[C@@H]1C 379347761 487238991 /nfs/dbraw/zinc/23/89/91/487238991.db2.gz IBUUOIPWEVCCLC-DCAQKATOSA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 379346854 487239153 /nfs/dbraw/zinc/23/91/53/487239153.db2.gz GOMFQWMPKRIFAO-VWYCJHECSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 379346853 487239201 /nfs/dbraw/zinc/23/92/01/487239201.db2.gz GOMFQWMPKRIFAO-OUAUKWLOSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 379346852 487239235 /nfs/dbraw/zinc/23/92/35/487239235.db2.gz GOMFQWMPKRIFAO-GARJFASQSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@H](C)C[NH2+][C@H]1CCNC[C@H]1C 379347760 487239290 /nfs/dbraw/zinc/23/92/90/487239290.db2.gz IBUUOIPWEVCCLC-AXFHLTTASA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 379346851 487239355 /nfs/dbraw/zinc/23/93/55/487239355.db2.gz GOMFQWMPKRIFAO-DCAQKATOSA-N 1 3 184.327 1.763 10 0 ADAEHO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 379517907 487244318 /nfs/dbraw/zinc/24/43/18/487244318.db2.gz BFXRWARWCGFOSU-QWRGUYRKSA-N 1 3 192.306 1.820 10 0 ADAEHO Cc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 379517912 487244337 /nfs/dbraw/zinc/24/43/37/487244337.db2.gz BFXRWARWCGFOSU-WDEREUQCSA-N 1 3 192.306 1.820 10 0 ADAEHO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 379517906 487244453 /nfs/dbraw/zinc/24/44/53/487244453.db2.gz BFXRWARWCGFOSU-MNOVXSKESA-N 1 3 192.306 1.820 10 0 ADAEHO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 379517898 487244474 /nfs/dbraw/zinc/24/44/74/487244474.db2.gz BFXRWARWCGFOSU-GHMZBOCLSA-N 1 3 192.306 1.820 10 0 ADAEHO C[N@H+](CCCN)C[C@H]1C[C@@H]2C[C@@H]2C1 382063034 487249199 /nfs/dbraw/zinc/24/91/99/487249199.db2.gz NWCCBGOOYHECMS-JGPRNRPPSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@@H+](CCCN)C[C@H]1C[C@@H]2C[C@@H]2C1 382063034 487249201 /nfs/dbraw/zinc/24/92/01/487249201.db2.gz NWCCBGOOYHECMS-JGPRNRPPSA-N 1 3 182.311 1.313 10 0 ADAEHO CN(CCC[NH3+])C[C@H]1C[C@@H]2C[C@@H]2C1 382063034 487249203 /nfs/dbraw/zinc/24/92/03/487249203.db2.gz NWCCBGOOYHECMS-JGPRNRPPSA-N 1 3 182.311 1.313 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386107194 487256045 /nfs/dbraw/zinc/25/60/45/487256045.db2.gz JODIKTNRBHQGMY-DDHJBXDOSA-N 1 3 198.354 1.994 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386107198 487256475 /nfs/dbraw/zinc/25/64/75/487256475.db2.gz JODIKTNRBHQGMY-WRWGMCAJSA-N 1 3 198.354 1.994 10 0 ADAEHO C[NH2+]CCCN(C)CC1(C)CCC1 388808509 487262084 /nfs/dbraw/zinc/26/20/84/487262084.db2.gz QPNNLBNTHIFYIS-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CNCCC[N@H+](C)CC1(C)CCC1 388808509 487262089 /nfs/dbraw/zinc/26/20/89/487262089.db2.gz QPNNLBNTHIFYIS-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CNCCC[N@@H+](C)CC1(C)CCC1 388808509 487262093 /nfs/dbraw/zinc/26/20/93/487262093.db2.gz QPNNLBNTHIFYIS-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CC[C@@H]([NH2+]CCCN)[C@@H]1CC1(C)C 397694995 487278544 /nfs/dbraw/zinc/27/85/44/487278544.db2.gz OBQQBTVRCKEVBW-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H]([NH2+]CCCN)[C@H]1CC1(C)C 397694996 487278551 /nfs/dbraw/zinc/27/85/51/487278551.db2.gz OBQQBTVRCKEVBW-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H]([NH2+]CCCN)[C@@H]1CC1(C)C 397694993 487278706 /nfs/dbraw/zinc/27/87/06/487278706.db2.gz OBQQBTVRCKEVBW-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]([NH2+]CCCN)[C@H]1CC1(C)C 397694991 487278795 /nfs/dbraw/zinc/27/87/95/487278795.db2.gz OBQQBTVRCKEVBW-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H](CCC1CC1)[NH2+]CC[C@@H](C)N 398083458 487282355 /nfs/dbraw/zinc/28/23/55/487282355.db2.gz MYBLAIBLDDNGQO-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)CCC1CC1 398083451 487282627 /nfs/dbraw/zinc/28/26/27/487282627.db2.gz MYBLAIBLDDNGQO-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H](C)CCC1CC1 398116433 487283025 /nfs/dbraw/zinc/28/30/25/487283025.db2.gz ZGEBBPSCOPFBRR-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H](C)CCC1CC1 398116427 487283393 /nfs/dbraw/zinc/28/33/93/487283393.db2.gz ZGEBBPSCOPFBRR-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H](C)CCC1CC1 398116430 487283413 /nfs/dbraw/zinc/28/34/13/487283413.db2.gz ZGEBBPSCOPFBRR-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@@H](C)CCC1CC1 398116429 487283439 /nfs/dbraw/zinc/28/34/39/487283439.db2.gz ZGEBBPSCOPFBRR-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CC1 398216275 487284125 /nfs/dbraw/zinc/28/41/25/487284125.db2.gz UUJLDBNZEQTHEU-GXSJLCMTSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@H](C)C1CC1 398216282 487284248 /nfs/dbraw/zinc/28/42/48/487284248.db2.gz UUJLDBNZEQTHEU-MWLCHTKSSA-N 1 3 184.327 1.748 10 0 ADAEHO [NH3+]C[C@@H]1CCCN1CCC1CCC1 398795944 487285839 /nfs/dbraw/zinc/28/58/39/487285839.db2.gz ULNWDOUDHNENAM-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCN 399250832 487286965 /nfs/dbraw/zinc/28/69/65/487286965.db2.gz FLVKOWKLCWLIID-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1C[C@H](C)C[N@H+]1CCCN 399250832 487286968 /nfs/dbraw/zinc/28/69/68/487286968.db2.gz FLVKOWKLCWLIID-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCN 399250828 487287080 /nfs/dbraw/zinc/28/70/80/487287080.db2.gz FLVKOWKLCWLIID-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCN 399250828 487287082 /nfs/dbraw/zinc/28/70/82/487287082.db2.gz FLVKOWKLCWLIID-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCN 399250835 487287276 /nfs/dbraw/zinc/28/72/76/487287276.db2.gz FLVKOWKLCWLIID-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1C[C@@H](C)C[N@H+]1CCCN 399250835 487287278 /nfs/dbraw/zinc/28/72/78/487287278.db2.gz FLVKOWKLCWLIID-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1C[C@H](C)C[N@@H+]1CCCN 399250829 487287302 /nfs/dbraw/zinc/28/73/02/487287302.db2.gz FLVKOWKLCWLIID-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H]1C[C@H](C)C[N@H+]1CCCN 399250829 487287306 /nfs/dbraw/zinc/28/73/06/487287306.db2.gz FLVKOWKLCWLIID-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO [NH3+][C@@H]1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403362867 487290835 /nfs/dbraw/zinc/29/08/35/487290835.db2.gz HUZCPLFNOACFTC-WRWGMCAJSA-N 1 3 194.322 1.456 10 0 ADAEHO [NH3+][C@@H]1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403362863 487290853 /nfs/dbraw/zinc/29/08/53/487290853.db2.gz HUZCPLFNOACFTC-WISYIIOYSA-N 1 3 194.322 1.456 10 0 ADAEHO [NH3+][C@H]1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403607319 487291265 /nfs/dbraw/zinc/29/12/65/487291265.db2.gz HUZCPLFNOACFTC-WYUUTHIRSA-N 1 3 194.322 1.456 10 0 ADAEHO [NH3+][C@H]1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403607315 487291308 /nfs/dbraw/zinc/29/13/08/487291308.db2.gz HUZCPLFNOACFTC-KXNHARMFSA-N 1 3 194.322 1.456 10 0 ADAEHO C[N@@H+](CCCN)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403735027 487291672 /nfs/dbraw/zinc/29/16/72/487291672.db2.gz LDNPPLPUYSOHBU-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CN1 403738225 487291649 /nfs/dbraw/zinc/29/16/49/487291649.db2.gz LVNYOVHSFYVNGO-WYUUTHIRSA-N 1 3 194.322 1.374 10 0 ADAEHO C1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CN1 403738221 487291659 /nfs/dbraw/zinc/29/16/59/487291659.db2.gz LVNYOVHSFYVNGO-KXNHARMFSA-N 1 3 194.322 1.374 10 0 ADAEHO C[N@H+](CCCN)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403735027 487291669 /nfs/dbraw/zinc/29/16/69/487291669.db2.gz LDNPPLPUYSOHBU-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO CN(CCC[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 403735027 487291674 /nfs/dbraw/zinc/29/16/74/487291674.db2.gz LDNPPLPUYSOHBU-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@H+](CCCN)C[C@@H]1CC[C@H]2C[C@H]2C1 403735023 487291681 /nfs/dbraw/zinc/29/16/81/487291681.db2.gz LDNPPLPUYSOHBU-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@@H+](CCCN)C[C@@H]1CC[C@H]2C[C@H]2C1 403735023 487291684 /nfs/dbraw/zinc/29/16/84/487291684.db2.gz LDNPPLPUYSOHBU-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO CN(CCC[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 403735023 487291687 /nfs/dbraw/zinc/29/16/87/487291687.db2.gz LDNPPLPUYSOHBU-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO [NH3+]CC12CC(CN1CC1CCC1)C2 642841844 487309933 /nfs/dbraw/zinc/30/99/33/487309933.db2.gz PWYBQBYQOWXAQT-UHFFFAOYSA-N 1 3 180.295 1.210 10 0 ADAEHO c1cc(CNCCC[NH+]2CCC2)c[nH]1 655754509 487311837 /nfs/dbraw/zinc/31/18/37/487311837.db2.gz ZOFABPRTPJYXQV-UHFFFAOYSA-N 1 3 193.294 1.200 10 0 ADAEHO CCC[C@@H](C)C[NH2+]C[C@H]1CCCN1 666783211 487339351 /nfs/dbraw/zinc/33/93/51/487339351.db2.gz GMWTZYBCNBBWIG-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)C(C)(C)[NH2+]CCCN 666652162 487332159 /nfs/dbraw/zinc/33/21/59/487332159.db2.gz AMAJUYAPDINFJM-UHFFFAOYSA-N 1 3 158.289 1.359 10 0 ADAEHO C[N@H+](CCCN)C1(C)CCCC1 666708135 487333039 /nfs/dbraw/zinc/33/30/39/487333039.db2.gz HYBAVVBIOADWLT-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO C[N@@H+](CCCN)C1(C)CCCC1 666708135 487333041 /nfs/dbraw/zinc/33/30/41/487333041.db2.gz HYBAVVBIOADWLT-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[C@H](C)C[NH2+]C1CCNCC1 666734247 487333413 /nfs/dbraw/zinc/33/34/13/487333413.db2.gz NUTSJMJGLLSCMH-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@@H](C)C[NH2+]C1CCNCC1 666734250 487333623 /nfs/dbraw/zinc/33/36/23/487333623.db2.gz NUTSJMJGLLSCMH-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@H](CC)[NH2+]CC[C@@H](C)N 666775701 487335669 /nfs/dbraw/zinc/33/56/69/487335669.db2.gz FZWXFMYNFDKBCY-ZJUUUORDSA-N 1 3 172.316 1.892 10 0 ADAEHO CCC[C@H](C)C[NH2+]CC[C@@H](C)N 666775512 487335749 /nfs/dbraw/zinc/33/57/49/487335749.db2.gz BYZZPSHIVYUNSP-VHSXEESVSA-N 1 3 172.316 1.750 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@@H]1CCCSC1 666775721 487335783 /nfs/dbraw/zinc/33/57/83/487335783.db2.gz GPAFNAQDKAJWQW-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO CC1CCC([NH2+]CC[C@@H](C)N)CC1 666775767 487335891 /nfs/dbraw/zinc/33/58/91/487335891.db2.gz LXAZOLWGTCJYMV-HSOILSAZSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@H]1CCCSC1 666775706 487335902 /nfs/dbraw/zinc/33/59/02/487335902.db2.gz GPAFNAQDKAJWQW-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+]CC[C@@H](C)N 666775696 487336029 /nfs/dbraw/zinc/33/60/29/487336029.db2.gz FDXNLJXQGREKIN-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H](C)C[NH2+]CC[C@@H](C)N 666775510 487336074 /nfs/dbraw/zinc/33/60/74/487336074.db2.gz BYZZPSHIVYUNSP-NXEZZACHSA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@@H](C)C[NH2+]CC[C@H](C)N 666775513 487336083 /nfs/dbraw/zinc/33/60/83/487336083.db2.gz BYZZPSHIVYUNSP-ZJUUUORDSA-N 1 3 172.316 1.750 10 0 ADAEHO CCC[C@H](C)C[NH2+]CC[C@H](C)N 666775511 487336099 /nfs/dbraw/zinc/33/60/99/487336099.db2.gz BYZZPSHIVYUNSP-UWVGGRQHSA-N 1 3 172.316 1.750 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H]1CCCC1(C)C 666775790 487336136 /nfs/dbraw/zinc/33/61/36/487336136.db2.gz QXQIQHAHOXJNFP-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H]1CCCC1(C)C 666775788 487336194 /nfs/dbraw/zinc/33/61/94/487336194.db2.gz QXQIQHAHOXJNFP-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H](CC)[NH2+]CC[C@@H](C)N 666775698 487336322 /nfs/dbraw/zinc/33/63/22/487336322.db2.gz FZWXFMYNFDKBCY-NXEZZACHSA-N 1 3 172.316 1.892 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)CC1CCC1 666775694 487336391 /nfs/dbraw/zinc/33/63/91/487336391.db2.gz FDXNLJXQGREKIN-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](CC1CC1)[NH2+]CC[C@@H](C)N 666775824 487336887 /nfs/dbraw/zinc/33/68/87/487336887.db2.gz ZODBAALHLLLNQD-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]([NH2+]CC[C@@H](C)N)C1CCC1 666777168 487336899 /nfs/dbraw/zinc/33/68/99/487336899.db2.gz LILJZRYHSRDOKB-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)CC1CC1 666775825 487336968 /nfs/dbraw/zinc/33/69/68/487336968.db2.gz ZODBAALHLLLNQD-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H](N)CC[NH2+][C@H](C)C1CCC1 666777169 487336998 /nfs/dbraw/zinc/33/69/98/487336998.db2.gz LILJZRYHSRDOKB-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)C1CCC1 666777172 487337128 /nfs/dbraw/zinc/33/71/28/487337128.db2.gz LILJZRYHSRDOKB-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H](CC)NCC[NH2+]C 666778842 487337196 /nfs/dbraw/zinc/33/71/96/487337196.db2.gz HNOKKXSUBMKOEY-VIFPVBQESA-N 1 3 158.289 1.374 10 0 ADAEHO CCC[C@@H](CC)NCC[NH2+]C 666778841 487337338 /nfs/dbraw/zinc/33/73/38/487337338.db2.gz HNOKKXSUBMKOEY-SECBINFHSA-N 1 3 158.289 1.374 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H](C)C1CCC1 666777170 487337360 /nfs/dbraw/zinc/33/73/60/487337360.db2.gz LILJZRYHSRDOKB-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H](C)C[NH2+]C[C@@H]1CCCN1 666783214 487338871 /nfs/dbraw/zinc/33/88/71/487338871.db2.gz GMWTZYBCNBBWIG-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@H](C)C[NH2+]C[C@H]1CCCN1 666783216 487339059 /nfs/dbraw/zinc/33/90/59/487339059.db2.gz GMWTZYBCNBBWIG-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@@H](C)C[NH2+]C[C@@H]1CCCN1 666783213 487339282 /nfs/dbraw/zinc/33/92/82/487339282.db2.gz GMWTZYBCNBBWIG-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO C[NH2+]CCCN[C@@H]1CCCSC1 666807362 487339485 /nfs/dbraw/zinc/33/94/85/487339485.db2.gz JCIQZHHYTDYWPW-SECBINFHSA-N 1 3 188.340 1.081 10 0 ADAEHO C[NH2+]CCCN[C@H]1CCCSC1 666807364 487339648 /nfs/dbraw/zinc/33/96/48/487339648.db2.gz JCIQZHHYTDYWPW-VIFPVBQESA-N 1 3 188.340 1.081 10 0 ADAEHO CCC[C@H](C)C[NH2+]C[C@@H](C)CN 666825952 487340325 /nfs/dbraw/zinc/34/03/25/487340325.db2.gz CLVYZPVWEOBRCD-UWVGGRQHSA-N 1 3 172.316 1.607 10 0 ADAEHO CCC[C@@H](C)C[NH2+]C[C@@H](C)CN 666825954 487340574 /nfs/dbraw/zinc/34/05/74/487340574.db2.gz CLVYZPVWEOBRCD-ZJUUUORDSA-N 1 3 172.316 1.607 10 0 ADAEHO CCC[C@@H](C)C[NH2+]C[C@H](C)CN 666825951 487340706 /nfs/dbraw/zinc/34/07/06/487340706.db2.gz CLVYZPVWEOBRCD-NXEZZACHSA-N 1 3 172.316 1.607 10 0 ADAEHO CCC[C@H](C)C[NH2+]C[C@H](C)CN 666825953 487340905 /nfs/dbraw/zinc/34/09/05/487340905.db2.gz CLVYZPVWEOBRCD-VHSXEESVSA-N 1 3 172.316 1.607 10 0 ADAEHO C[C@H](CCN)[NH2+]CC1(C)CCC1 666833223 487341116 /nfs/dbraw/zinc/34/11/16/487341116.db2.gz WHSCSBGMKZLHED-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H](CCN)[NH2+]CC1(C)CCC1 666833224 487341454 /nfs/dbraw/zinc/34/14/54/487341454.db2.gz WHSCSBGMKZLHED-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CC[NH2+][C@H](C)CNCC1(C)CCC1 666878541 487345764 /nfs/dbraw/zinc/34/57/64/487345764.db2.gz KHEAOPFKGSSQIF-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@H](C)CNC[C@@H](C)[NH2+]C 666896847 487346440 /nfs/dbraw/zinc/34/64/40/487346440.db2.gz CEKBDEFKLDPQBF-VHSXEESVSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@H](C)CNC[C@H](C)[NH2+]C 666896846 487346463 /nfs/dbraw/zinc/34/64/63/487346463.db2.gz CEKBDEFKLDPQBF-UWVGGRQHSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@@H](C)CNC[C@@H](C)[NH2+]C 666896845 487346522 /nfs/dbraw/zinc/34/65/22/487346522.db2.gz CEKBDEFKLDPQBF-NXEZZACHSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC[C@@H](C)CNC[C@H](C)[NH2+]C 666896848 487346732 /nfs/dbraw/zinc/34/67/32/487346732.db2.gz CEKBDEFKLDPQBF-ZJUUUORDSA-N 1 3 172.316 1.620 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H](C)CC1CCC1 666897777 487347488 /nfs/dbraw/zinc/34/74/88/487347488.db2.gz KVUXBMQAHOXJRD-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H](C)CC1CCC1 666897780 487347747 /nfs/dbraw/zinc/34/77/47/487347747.db2.gz KVUXBMQAHOXJRD-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@@H](C)CC1CCC1 666897778 487347718 /nfs/dbraw/zinc/34/77/18/487347718.db2.gz KVUXBMQAHOXJRD-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H](C)CC1CCC1 666897779 487347854 /nfs/dbraw/zinc/34/78/54/487347854.db2.gz KVUXBMQAHOXJRD-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@@H]([NH3+])CN[C@H]1CCCSC1 666911205 487348061 /nfs/dbraw/zinc/34/80/61/487348061.db2.gz HXJJLMLMNNEENP-BDAKNGLRSA-N 1 3 188.340 1.209 10 0 ADAEHO CC[C@@H]([NH3+])CN[C@@H]1CCCSC1 666911211 487348028 /nfs/dbraw/zinc/34/80/28/487348028.db2.gz HXJJLMLMNNEENP-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO CC[C@H]([NH3+])CN[C@@H]1CCCSC1 666911209 487348370 /nfs/dbraw/zinc/34/83/70/487348370.db2.gz HXJJLMLMNNEENP-DTWKUNHWSA-N 1 3 188.340 1.209 10 0 ADAEHO CC[C@H]([NH3+])CN[C@H]1CCCSC1 666911210 487348658 /nfs/dbraw/zinc/34/86/58/487348658.db2.gz HXJJLMLMNNEENP-IUCAKERBSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 666992882 487351925 /nfs/dbraw/zinc/35/19/25/487351925.db2.gz BTGZHPCMSMEUOD-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](CC1CC1)N[C@H]1CCCC[NH2+]C1 666992942 487351960 /nfs/dbraw/zinc/35/19/60/487351960.db2.gz JGTKQSZSCLONBX-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](CC1CC1)N[C@@H]1CCCC[NH2+]C1 666992943 487351968 /nfs/dbraw/zinc/35/19/68/487351968.db2.gz JGTKQSZSCLONBX-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H]1CN[C@@H]1CCCC[NH2+]C1 666992978 487351974 /nfs/dbraw/zinc/35/19/74/487351974.db2.gz OXEZWBMJDAMSDT-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO CCC[C@@H](C)CN1CC[C@H]([NH3+])[C@@H]1C 666982823 487352004 /nfs/dbraw/zinc/35/20/04/487352004.db2.gz QXMUNMZRLBKKTR-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1C[C@H]1C 666983131 487352012 /nfs/dbraw/zinc/35/20/12/487352012.db2.gz BIYMMBBMFGXUKS-KATARQTJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 666992884 487352022 /nfs/dbraw/zinc/35/20/22/487352022.db2.gz BTGZHPCMSMEUOD-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 666992881 487352037 /nfs/dbraw/zinc/35/20/37/487352037.db2.gz BTGZHPCMSMEUOD-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H]1CN[C@H]1CCCC[NH2+]C1 666992979 487352040 /nfs/dbraw/zinc/35/20/40/487352040.db2.gz OXEZWBMJDAMSDT-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H](C)CN[C@H]1CCCC[NH2+]C1 666992908 487352095 /nfs/dbraw/zinc/35/20/95/487352095.db2.gz DDTGQNKWVZXFBU-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H](C)CN[C@@H]1CCCC[NH2+]C1 666992900 487352140 /nfs/dbraw/zinc/35/21/40/487352140.db2.gz DDTGQNKWVZXFBU-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@H](C)CN[C@@H]1CCCC[NH2+]C1 666992909 487352280 /nfs/dbraw/zinc/35/22/80/487352280.db2.gz DDTGQNKWVZXFBU-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H](CC1CC1)N[C@@H]1CCCC[NH2+]C1 666992940 487352301 /nfs/dbraw/zinc/35/23/01/487352301.db2.gz JGTKQSZSCLONBX-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@@H]1CN[C@@H]1CCCC[NH2+]C1 666992974 487352315 /nfs/dbraw/zinc/35/23/15/487352315.db2.gz OXEZWBMJDAMSDT-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1C[C@@H]1CN1CC[C@H]([NH3+])[C@@H]1C 666983137 487352372 /nfs/dbraw/zinc/35/23/72/487352372.db2.gz BIYMMBBMFGXUKS-QEYWKRMJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H](CC1CC1)N[C@H]1CCCC[NH2+]C1 666992941 487352450 /nfs/dbraw/zinc/35/24/50/487352450.db2.gz JGTKQSZSCLONBX-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[C@H]1CN1CC[C@H]([NH3+])[C@@H]1C 666983138 487352483 /nfs/dbraw/zinc/35/24/83/487352483.db2.gz BIYMMBBMFGXUKS-XKNYDFJKSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[C@@H]1CN[C@H]1CCCC[NH2+]C1 666992976 487352632 /nfs/dbraw/zinc/35/26/32/487352632.db2.gz OXEZWBMJDAMSDT-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 666992883 487352646 /nfs/dbraw/zinc/35/26/46/487352646.db2.gz BTGZHPCMSMEUOD-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H](C)CN[C@H]1CCCC[NH2+]C1 666992907 487352658 /nfs/dbraw/zinc/35/26/58/487352658.db2.gz DDTGQNKWVZXFBU-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H](C)CN1CC[C@H]([NH3+])[C@@H]1C 666983185 487352709 /nfs/dbraw/zinc/35/27/09/487352709.db2.gz ZHLURISIUPKODQ-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH2+]C1CCC1)[C@H]1CCCNC1 667033769 487353025 /nfs/dbraw/zinc/35/30/25/487353025.db2.gz DUQDWHYPSXAZPN-UWVGGRQHSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCNC1 667013457 487353074 /nfs/dbraw/zinc/35/30/74/487353074.db2.gz AYTABVVAXSZUKK-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]([NH2+]C1CCC1)[C@@H]1CCCNC1 667033770 487353125 /nfs/dbraw/zinc/35/31/25/487353125.db2.gz DUQDWHYPSXAZPN-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]([NH2+]C1CCC1)[C@@H]1CCCNC1 667033768 487353145 /nfs/dbraw/zinc/35/31/45/487353145.db2.gz DUQDWHYPSXAZPN-NXEZZACHSA-N 1 3 182.311 1.517 10 0 ADAEHO NCCC[NH2+][C@@H]1C[C@@H]1C1CCCCC1 667028598 487353160 /nfs/dbraw/zinc/35/31/60/487353160.db2.gz ADPVRJVNHKEMDI-VXGBXAGGSA-N 1 3 196.338 1.894 10 0 ADAEHO [NH3+]CCCN[C@@H]1C[C@@H]1C1CCCCC1 667028598 487353163 /nfs/dbraw/zinc/35/31/63/487353163.db2.gz ADPVRJVNHKEMDI-VXGBXAGGSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCNC1 667013456 487353178 /nfs/dbraw/zinc/35/31/78/487353178.db2.gz AYTABVVAXSZUKK-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[NH2+]C1 666993025 487353189 /nfs/dbraw/zinc/35/31/89/487353189.db2.gz ZUPWPMAKPNRLGO-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCC[C@H]1N[C@@H]1CCCC[NH2+]C1 666993024 487353363 /nfs/dbraw/zinc/35/33/63/487353363.db2.gz ZUPWPMAKPNRLGO-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO NCCC[NH2+][C@H]1C[C@H]1C1CCCCC1 667028597 487353441 /nfs/dbraw/zinc/35/34/41/487353441.db2.gz ADPVRJVNHKEMDI-RYUDHWBXSA-N 1 3 196.338 1.894 10 0 ADAEHO [NH3+]CCCN[C@H]1C[C@H]1C1CCCCC1 667028597 487353443 /nfs/dbraw/zinc/35/34/43/487353443.db2.gz ADPVRJVNHKEMDI-RYUDHWBXSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1CCC[C@@H]1N[C@H]1CCCC[NH2+]C1 666993026 487353451 /nfs/dbraw/zinc/35/34/51/487353451.db2.gz ZUPWPMAKPNRLGO-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCC[C@H]1N[C@H]1CCCC[NH2+]C1 666993022 487353484 /nfs/dbraw/zinc/35/34/84/487353484.db2.gz ZUPWPMAKPNRLGO-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO NCCC[NH2+][C@@H]1C[C@H]1C1CCCCC1 667028596 487353611 /nfs/dbraw/zinc/35/36/11/487353611.db2.gz ADPVRJVNHKEMDI-NWDGAFQWSA-N 1 3 196.338 1.894 10 0 ADAEHO [NH3+]CCCN[C@@H]1C[C@H]1C1CCCCC1 667028596 487353613 /nfs/dbraw/zinc/35/36/13/487353613.db2.gz ADPVRJVNHKEMDI-NWDGAFQWSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]([NH2+]C1CCC1)[C@H]1CCCNC1 667033771 487353619 /nfs/dbraw/zinc/35/36/19/487353619.db2.gz DUQDWHYPSXAZPN-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO NCCC[NH2+][C@H]1C[C@@H]1C1CCCCC1 667028595 487353646 /nfs/dbraw/zinc/35/36/46/487353646.db2.gz ADPVRJVNHKEMDI-NEPJUHHUSA-N 1 3 196.338 1.894 10 0 ADAEHO [NH3+]CCCN[C@H]1C[C@@H]1C1CCCCC1 667028595 487353648 /nfs/dbraw/zinc/35/36/48/487353648.db2.gz ADPVRJVNHKEMDI-NEPJUHHUSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCNC1 667013455 487353667 /nfs/dbraw/zinc/35/36/67/487353667.db2.gz AYTABVVAXSZUKK-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCNC1 667013454 487353694 /nfs/dbraw/zinc/35/36/94/487353694.db2.gz AYTABVVAXSZUKK-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[N@H+](CCCN)C1CC(C)(C)C1 667050181 487354391 /nfs/dbraw/zinc/35/43/91/487354391.db2.gz NJFVSGYVTWSOPK-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](CCCN)C1CC(C)(C)C1 667050181 487354392 /nfs/dbraw/zinc/35/43/92/487354392.db2.gz NJFVSGYVTWSOPK-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(CCC[NH3+])C1CC(C)(C)C1 667050181 487354394 /nfs/dbraw/zinc/35/43/94/487354394.db2.gz NJFVSGYVTWSOPK-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+]CCCN(C)CC1(C)CC1 667054916 487354410 /nfs/dbraw/zinc/35/44/10/487354410.db2.gz CXMHBCVVFHHWHZ-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CNCCC[N@H+](C)CC1(C)CC1 667054916 487354411 /nfs/dbraw/zinc/35/44/11/487354411.db2.gz CXMHBCVVFHHWHZ-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CNCCC[N@@H+](C)CC1(C)CC1 667054916 487354413 /nfs/dbraw/zinc/35/44/13/487354413.db2.gz CXMHBCVVFHHWHZ-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC(C)[C@@H](C)N1CCC[C@]12CC[NH2+]C2 757124467 582457692 /nfs/dbraw/zinc/45/76/92/582457692.db2.gz CGEWWAXTCCZNPI-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 757123730 582457767 /nfs/dbraw/zinc/45/77/67/582457767.db2.gz AINNUXQWHYISAR-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 757123730 582457768 /nfs/dbraw/zinc/45/77/68/582457768.db2.gz AINNUXQWHYISAR-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 757123730 582457771 /nfs/dbraw/zinc/45/77/71/582457771.db2.gz AINNUXQWHYISAR-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCN1CCC[C@]12C[NH2+]C[C@H](C)C2 757123661 582457913 /nfs/dbraw/zinc/45/79/13/582457913.db2.gz AINNUXQWHYISAR-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 757123661 582457914 /nfs/dbraw/zinc/45/79/14/582457914.db2.gz AINNUXQWHYISAR-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@]12CNC[C@H](C)C2 757123661 582457916 /nfs/dbraw/zinc/45/79/16/582457916.db2.gz AINNUXQWHYISAR-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 757123722 582457952 /nfs/dbraw/zinc/45/79/52/582457952.db2.gz AINNUXQWHYISAR-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 757123722 582457953 /nfs/dbraw/zinc/45/79/53/582457953.db2.gz AINNUXQWHYISAR-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 757123722 582457954 /nfs/dbraw/zinc/45/79/54/582457954.db2.gz AINNUXQWHYISAR-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 757123688 582458044 /nfs/dbraw/zinc/45/80/44/582458044.db2.gz AINNUXQWHYISAR-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 757123688 582458046 /nfs/dbraw/zinc/45/80/46/582458046.db2.gz AINNUXQWHYISAR-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 757123688 582458048 /nfs/dbraw/zinc/45/80/48/582458048.db2.gz AINNUXQWHYISAR-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C1C[N@@H+](C2CC2)C2(C1)CCNCC2 757124121 582458091 /nfs/dbraw/zinc/45/80/91/582458091.db2.gz BXZUDVSFKOFTES-UHFFFAOYSA-N 1 3 180.295 1.367 10 0 ADAEHO C1C[N@H+](C2CC2)C2(C1)CCNCC2 757124121 582458093 /nfs/dbraw/zinc/45/80/93/582458093.db2.gz BXZUDVSFKOFTES-UHFFFAOYSA-N 1 3 180.295 1.367 10 0 ADAEHO CC[N@@H+]1CCC[C@@]12CCCN[C@H]2C 757128176 582458205 /nfs/dbraw/zinc/45/82/05/582458205.db2.gz JJIBXLKJPAKKLN-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+]1CCC[C@@]12CCCN[C@H]2C 757128176 582458206 /nfs/dbraw/zinc/45/82/06/582458206.db2.gz JJIBXLKJPAKKLN-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12CCCNC2 757129953 582458264 /nfs/dbraw/zinc/45/82/64/582458264.db2.gz NCTUOGXVGLELJE-UTUOFQBUSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@H]1[N@H+]1CCC[C@]12CCCNC2 757129953 582458266 /nfs/dbraw/zinc/45/82/66/582458266.db2.gz NCTUOGXVGLELJE-UTUOFQBUSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1NCCC[C@@]12CCC[N@@H+]2C1CC1 757129452 582458294 /nfs/dbraw/zinc/45/82/94/582458294.db2.gz LQDQIDCULLIHKR-ZYHUDNBSSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@H]1NCCC[C@@]12CCC[N@H+]2C1CC1 757129452 582458296 /nfs/dbraw/zinc/45/82/96/582458296.db2.gz LQDQIDCULLIHKR-ZYHUDNBSSA-N 1 3 194.322 1.755 10 0 ADAEHO CC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C 757128155 582458357 /nfs/dbraw/zinc/45/83/57/582458357.db2.gz JJIBXLKJPAKKLN-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+]1CCC[C@@]12CCCN[C@@H]2C 757128155 582458359 /nfs/dbraw/zinc/45/83/59/582458359.db2.gz JJIBXLKJPAKKLN-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@@H+]1CCC[C@]12CCCN[C@H]2C 757128168 582458385 /nfs/dbraw/zinc/45/83/85/582458385.db2.gz JJIBXLKJPAKKLN-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+]1CCC[C@]12CCCN[C@H]2C 757128168 582458386 /nfs/dbraw/zinc/45/83/86/582458386.db2.gz JJIBXLKJPAKKLN-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1NCCC[C@]12CCC[N@@H+]2C1CC1 757129450 582458399 /nfs/dbraw/zinc/45/83/99/582458399.db2.gz LQDQIDCULLIHKR-PWSUYJOCSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@H]1NCCC[C@]12CCC[N@H+]2C1CC1 757129450 582458401 /nfs/dbraw/zinc/45/84/01/582458401.db2.gz LQDQIDCULLIHKR-PWSUYJOCSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@@H]1NCCC[C@@]12CCC[N@@H+]2C1CC1 757129437 582458414 /nfs/dbraw/zinc/45/84/14/582458414.db2.gz LQDQIDCULLIHKR-CMPLNLGQSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@@H]1NCCC[C@@]12CCC[N@H+]2C1CC1 757129437 582458416 /nfs/dbraw/zinc/45/84/16/582458416.db2.gz LQDQIDCULLIHKR-CMPLNLGQSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@H]1C[C@@H]1[N@@H+]1CCCC12CCNCC2 757131260 582458494 /nfs/dbraw/zinc/45/84/94/582458494.db2.gz QAYYCNUDYFVVCF-QWRGUYRKSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1C[C@@H]1[N@H+]1CCCC12CCNCC2 757131260 582458496 /nfs/dbraw/zinc/45/84/96/582458496.db2.gz QAYYCNUDYFVVCF-QWRGUYRKSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCCC12CCNCC2 757131253 582458510 /nfs/dbraw/zinc/45/85/10/582458510.db2.gz QAYYCNUDYFVVCF-MNOVXSKESA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@H+]1CCCC12CCNCC2 757131253 582458512 /nfs/dbraw/zinc/45/85/12/582458512.db2.gz QAYYCNUDYFVVCF-MNOVXSKESA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1NCCC[C@]12CCC[N@@H+]2C1CC1 757129446 582458533 /nfs/dbraw/zinc/45/85/33/582458533.db2.gz LQDQIDCULLIHKR-JQWIXIFHSA-N 1 3 194.322 1.755 10 0 ADAEHO C[C@@H]1NCCC[C@]12CCC[N@H+]2C1CC1 757129446 582458534 /nfs/dbraw/zinc/45/85/34/582458534.db2.gz LQDQIDCULLIHKR-JQWIXIFHSA-N 1 3 194.322 1.755 10 0 ADAEHO CC[N@@H+]1CCC[C@]12CCCN[C@@H]2C 757128156 582458570 /nfs/dbraw/zinc/45/85/70/582458570.db2.gz JJIBXLKJPAKKLN-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CC[N@H+]1CCC[C@]12CCCN[C@@H]2C 757128156 582458572 /nfs/dbraw/zinc/45/85/72/582458572.db2.gz JJIBXLKJPAKKLN-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)N1CCC[C@@]12C[NH2+]C[C@H](C)C2 757127698 582458580 /nfs/dbraw/zinc/45/85/80/582458580.db2.gz HUJIFKCAJLGKMU-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 757127698 582458582 /nfs/dbraw/zinc/45/85/82/582458582.db2.gz HUJIFKCAJLGKMU-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@]12CNC[C@H](C)C2 757127698 582458584 /nfs/dbraw/zinc/45/85/84/582458584.db2.gz HUJIFKCAJLGKMU-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CCCNC2 757129964 582458657 /nfs/dbraw/zinc/45/86/57/582458657.db2.gz NCTUOGXVGLELJE-WOPDTQHZSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CCCNC2 757129964 582458658 /nfs/dbraw/zinc/45/86/58/582458658.db2.gz NCTUOGXVGLELJE-WOPDTQHZSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1C[C@H]1[N@@H+]1CCCC12CCNCC2 757131265 582458668 /nfs/dbraw/zinc/45/86/68/582458668.db2.gz QAYYCNUDYFVVCF-WDEREUQCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1C[C@H]1[N@H+]1CCCC12CCNCC2 757131265 582458669 /nfs/dbraw/zinc/45/86/69/582458669.db2.gz QAYYCNUDYFVVCF-WDEREUQCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@H]1[N@@H+]1CCCC12CCNCC2 757131252 582458704 /nfs/dbraw/zinc/45/87/04/582458704.db2.gz QAYYCNUDYFVVCF-GHMZBOCLSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@H]1[N@H+]1CCCC12CCNCC2 757131252 582458706 /nfs/dbraw/zinc/45/87/06/582458706.db2.gz QAYYCNUDYFVVCF-GHMZBOCLSA-N 1 3 194.322 1.613 10 0 ADAEHO N[C@@H](CF)c1ccc(CC[NH3+])cc1 757133465 582459088 /nfs/dbraw/zinc/45/90/88/582459088.db2.gz IISDNPWURBVPJS-JTQLQIEISA-N 1 3 182.242 1.157 10 0 ADAEHO N[C@H](CF)c1ccc(CC[NH3+])cc1 757133468 582459143 /nfs/dbraw/zinc/45/91/43/582459143.db2.gz IISDNPWURBVPJS-SNVBAGLBSA-N 1 3 182.242 1.157 10 0 ADAEHO CC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 757135056 582459306 /nfs/dbraw/zinc/45/93/06/582459306.db2.gz YDBJSJDJOQLONJ-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 757135056 582459307 /nfs/dbraw/zinc/45/93/07/582459307.db2.gz YDBJSJDJOQLONJ-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 757135059 582459333 /nfs/dbraw/zinc/45/93/33/582459333.db2.gz YDBJSJDJOQLONJ-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@]12CNC[C@H](C)C2 757135059 582459335 /nfs/dbraw/zinc/45/93/35/582459335.db2.gz YDBJSJDJOQLONJ-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 757135062 582459440 /nfs/dbraw/zinc/45/94/40/582459440.db2.gz YDBJSJDJOQLONJ-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 757135062 582459442 /nfs/dbraw/zinc/45/94/42/582459442.db2.gz YDBJSJDJOQLONJ-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 757135066 582459464 /nfs/dbraw/zinc/45/94/64/582459464.db2.gz YDBJSJDJOQLONJ-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 757135066 582459466 /nfs/dbraw/zinc/45/94/66/582459466.db2.gz YDBJSJDJOQLONJ-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO N[C@@H](CF)c1cccc(C[NH3+])c1 757136057 582460141 /nfs/dbraw/zinc/46/01/41/582460141.db2.gz YODHJWHXXIDCHW-VIFPVBQESA-N 1 3 168.215 1.115 10 0 ADAEHO N[C@H](CF)c1cccc(C[NH3+])c1 757136056 582460166 /nfs/dbraw/zinc/46/01/66/582460166.db2.gz YODHJWHXXIDCHW-SECBINFHSA-N 1 3 168.215 1.115 10 0 ADAEHO CCN1CCC2(CC1)[NH2+]CC[C@@H](C)O2 757139774 582461386 /nfs/dbraw/zinc/46/13/86/582461386.db2.gz HRACQVABYQAZEK-SNVBAGLBSA-N 1 3 198.310 1.197 10 0 ADAEHO CCN1CCC2(CC1)[NH2+]CC[C@H](C)O2 757139771 582461522 /nfs/dbraw/zinc/46/15/22/582461522.db2.gz HRACQVABYQAZEK-JTQLQIEISA-N 1 3 198.310 1.197 10 0 ADAEHO CCN1CCC2(CC1)[NH2+][C@H](C)CCO2 757145050 582464489 /nfs/dbraw/zinc/46/44/89/582464489.db2.gz HLCJFKCWHIQVQR-SNVBAGLBSA-N 1 3 198.310 1.197 10 0 ADAEHO CCN1CCC2(CC1)[NH2+][C@@H](C)CCO2 757145047 582464526 /nfs/dbraw/zinc/46/45/26/582464526.db2.gz HLCJFKCWHIQVQR-JTQLQIEISA-N 1 3 198.310 1.197 10 0 ADAEHO CC(C)=C(C)CC[N@@H+]1CC[C@@H]1CN 757149153 582465850 /nfs/dbraw/zinc/46/58/50/582465850.db2.gz YIZOJHUSHFMQID-LLVKDONJSA-N 1 3 182.311 1.766 10 0 ADAEHO CC(C)=C(C)CC[N@H+]1CC[C@@H]1CN 757149153 582465852 /nfs/dbraw/zinc/46/58/52/582465852.db2.gz YIZOJHUSHFMQID-LLVKDONJSA-N 1 3 182.311 1.766 10 0 ADAEHO CC(C)=C(C)CC[N@@H+]1CC[C@H]1CN 757149154 582466097 /nfs/dbraw/zinc/46/60/97/582466097.db2.gz YIZOJHUSHFMQID-NSHDSACASA-N 1 3 182.311 1.766 10 0 ADAEHO CC(C)=C(C)CC[N@H+]1CC[C@H]1CN 757149154 582466099 /nfs/dbraw/zinc/46/60/99/582466099.db2.gz YIZOJHUSHFMQID-NSHDSACASA-N 1 3 182.311 1.766 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H](c2ccccc2)CN1 142442243 582472761 /nfs/dbraw/zinc/47/27/61/582472761.db2.gz QRULBOXYSKWCKA-NEPJUHHUSA-N 1 3 190.290 1.481 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H](c2ccccc2)CN1 142442033 582472776 /nfs/dbraw/zinc/47/27/76/582472776.db2.gz QRULBOXYSKWCKA-NWDGAFQWSA-N 1 3 190.290 1.481 10 0 ADAEHO [NH3+]C[C@@H]1CNC[C@H](c2ccsc2)C1 757219459 582473013 /nfs/dbraw/zinc/47/30/13/582473013.db2.gz YSOJYXIYXCIBLS-PSASIEDQSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@H](c2ccsc2)C1 757219459 582473014 /nfs/dbraw/zinc/47/30/14/582473014.db2.gz YSOJYXIYXCIBLS-PSASIEDQSA-N 1 3 196.319 1.400 10 0 ADAEHO [NH3+]C[C@H]1CNC[C@H](c2ccsc2)C1 757219466 582473021 /nfs/dbraw/zinc/47/30/21/582473021.db2.gz YSOJYXIYXCIBLS-WCBMZHEXSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@H](c2ccsc2)C1 757219466 582473022 /nfs/dbraw/zinc/47/30/22/582473022.db2.gz YSOJYXIYXCIBLS-WCBMZHEXSA-N 1 3 196.319 1.400 10 0 ADAEHO [NH3+]C[C@@H]1CNC[C@@H](c2ccsc2)C1 757219462 582473031 /nfs/dbraw/zinc/47/30/31/582473031.db2.gz YSOJYXIYXCIBLS-SCZZXKLOSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@@H](c2ccsc2)C1 757219462 582473032 /nfs/dbraw/zinc/47/30/32/582473032.db2.gz YSOJYXIYXCIBLS-SCZZXKLOSA-N 1 3 196.319 1.400 10 0 ADAEHO [NH3+]C[C@H]1CNC[C@@H](c2ccsc2)C1 757219467 582473107 /nfs/dbraw/zinc/47/31/07/582473107.db2.gz YSOJYXIYXCIBLS-WPRPVWTQSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@@H](c2ccsc2)C1 757219467 582473109 /nfs/dbraw/zinc/47/31/09/582473109.db2.gz YSOJYXIYXCIBLS-WPRPVWTQSA-N 1 3 196.319 1.400 10 0 ADAEHO CCCC[C@H]1C[C@H](N)CC[NH2+]1 757219623 582473124 /nfs/dbraw/zinc/47/31/24/582473124.db2.gz ZBGHQXMDNUXEJO-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@H]1C[C@H]([NH3+])CCN1 757219623 582473125 /nfs/dbraw/zinc/47/31/25/582473125.db2.gz ZBGHQXMDNUXEJO-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1C[C@@H](N)CC[NH2+]1 757219626 582473153 /nfs/dbraw/zinc/47/31/53/582473153.db2.gz ZBGHQXMDNUXEJO-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1C[C@@H]([NH3+])CCN1 757219626 582473155 /nfs/dbraw/zinc/47/31/55/582473155.db2.gz ZBGHQXMDNUXEJO-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 223100668 582481145 /nfs/dbraw/zinc/48/11/45/582481145.db2.gz NXZGXFYSTQLRNB-NXEZZACHSA-N 1 3 168.284 1.032 10 0 ADAEHO CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 223100668 582481148 /nfs/dbraw/zinc/48/11/48/582481148.db2.gz NXZGXFYSTQLRNB-NXEZZACHSA-N 1 3 168.284 1.032 10 0 ADAEHO CC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 223100668 582481151 /nfs/dbraw/zinc/48/11/51/582481151.db2.gz NXZGXFYSTQLRNB-NXEZZACHSA-N 1 3 168.284 1.032 10 0 ADAEHO CC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 223100668 582481153 /nfs/dbraw/zinc/48/11/53/582481153.db2.gz NXZGXFYSTQLRNB-NXEZZACHSA-N 1 3 168.284 1.032 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@]2(CCCNC2)C1 211356027 582481642 /nfs/dbraw/zinc/48/16/42/582481642.db2.gz TWHVVWYNHUUNAT-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[N@H+]1CC[C@@]2(CCCNC2)C1 211356027 582481643 /nfs/dbraw/zinc/48/16/43/582481643.db2.gz TWHVVWYNHUUNAT-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)N1CC[C@@]2(CCC[NH2+]C2)C1 211356027 582481644 /nfs/dbraw/zinc/48/16/44/582481644.db2.gz TWHVVWYNHUUNAT-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(F)(F)CCNC1CC[NH2+]CC1 213628509 582501457 /nfs/dbraw/zinc/50/14/57/582501457.db2.gz HHCKYTATURSCMO-UHFFFAOYSA-N 1 3 192.253 1.373 10 0 ADAEHO CC(F)(F)CC[NH2+]C1CCNCC1 213628509 582501458 /nfs/dbraw/zinc/50/14/58/582501458.db2.gz HHCKYTATURSCMO-UHFFFAOYSA-N 1 3 192.253 1.373 10 0 ADAEHO CCC(C)(C)C1=C[C@@H]([NH3+])CNC1 675078544 582507681 /nfs/dbraw/zinc/50/76/81/582507681.db2.gz QNOGIJURAKFFQX-SECBINFHSA-N 1 3 168.284 1.280 10 0 ADAEHO CCN(C)C[C@H]1CCCC[NH2+]C1 211415464 582514598 /nfs/dbraw/zinc/51/45/98/582514598.db2.gz ZWSYLLLPFDLGIU-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H](c2ccccc2)CN1 142442420 582524540 /nfs/dbraw/zinc/52/45/40/582524540.db2.gz QRULBOXYSKWCKA-VXGBXAGGSA-N 1 3 190.290 1.481 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H](c2ccccc2)CN1 142441800 582524561 /nfs/dbraw/zinc/52/45/61/582524561.db2.gz QRULBOXYSKWCKA-RYUDHWBXSA-N 1 3 190.290 1.481 10 0 ADAEHO C[C@H]1CC[C@@]2(CC[N@H+](CCCN)C2)C1 335254887 582524810 /nfs/dbraw/zinc/52/48/10/582524810.db2.gz CXXVSIYHCOKFMC-NWDGAFQWSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@H]1CC[C@@]2(CC[N@@H+](CCCN)C2)C1 335254887 582524811 /nfs/dbraw/zinc/52/48/11/582524811.db2.gz CXXVSIYHCOKFMC-NWDGAFQWSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H]1CC[C@@]2(CC[N@H+](CCCN)C2)C1 335254889 582524991 /nfs/dbraw/zinc/52/49/91/582524991.db2.gz CXXVSIYHCOKFMC-VXGBXAGGSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H]1CC[C@@]2(CC[N@@H+](CCCN)C2)C1 335254889 582524992 /nfs/dbraw/zinc/52/49/92/582524992.db2.gz CXXVSIYHCOKFMC-VXGBXAGGSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H]1CC[C@]2(CC[N@H+](CCCN)C2)C1 335254886 582525068 /nfs/dbraw/zinc/52/50/68/582525068.db2.gz CXXVSIYHCOKFMC-NEPJUHHUSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H]1CC[C@]2(CC[N@@H+](CCCN)C2)C1 335254886 582525070 /nfs/dbraw/zinc/52/50/70/582525070.db2.gz CXXVSIYHCOKFMC-NEPJUHHUSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@H]1CC[C@]2(CC[N@H+](CCCN)C2)C1 335254888 582525202 /nfs/dbraw/zinc/52/52/02/582525202.db2.gz CXXVSIYHCOKFMC-RYUDHWBXSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@H]1CC[C@]2(CC[N@@H+](CCCN)C2)C1 335254888 582525203 /nfs/dbraw/zinc/52/52/03/582525203.db2.gz CXXVSIYHCOKFMC-RYUDHWBXSA-N 1 3 196.338 1.847 10 0 ADAEHO C1CCN([C@@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 263617223 582552602 /nfs/dbraw/zinc/55/26/02/582552602.db2.gz MTYCQQIZRUSGHR-GDNZZTSVSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CCN([C@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 263617224 582552680 /nfs/dbraw/zinc/55/26/80/582552680.db2.gz MTYCQQIZRUSGHR-ZSBIGDGJSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CCN([C@@H]2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 263617550 582552742 /nfs/dbraw/zinc/55/27/42/582552742.db2.gz OIKXCXXVIKMIJX-URLYPYJESA-N 1 3 180.295 1.365 10 0 ADAEHO C(=C1CNC1)c1ccc2c(c1)C[NH2+]C2 899328091 582560496 /nfs/dbraw/zinc/56/04/96/582560496.db2.gz NEVLPENVSZXVFT-UHFFFAOYSA-N 1 3 186.258 1.276 10 0 ADAEHO CCCCC[NH2+][C@H]1CCCNCC1 160656604 582594578 /nfs/dbraw/zinc/59/45/78/582594578.db2.gz BLIQVGFCNPERKE-NSHDSACASA-N 1 3 184.327 1.908 10 0 ADAEHO CC(C)N(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 903431279 582623761 /nfs/dbraw/zinc/62/37/61/582623761.db2.gz QLZADHQPYFNPGV-MNOVXSKESA-N 1 3 196.338 1.715 10 0 ADAEHO C1CC(C[NH2+][C@H]2CCNC23CCC3)C1 903468285 582625345 /nfs/dbraw/zinc/62/53/45/582625345.db2.gz JZGNFHSGWMMSFX-NSHDSACASA-N 1 3 194.322 1.661 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C1CC1)C1CC1 903473998 582625530 /nfs/dbraw/zinc/62/55/30/582625530.db2.gz DLWOZVWJLOSNPI-ZJUUUORDSA-N 1 3 194.322 1.469 10 0 ADAEHO CCCC[NH2+][C@@H]1CCNC12CCC2 903466492 582625538 /nfs/dbraw/zinc/62/55/38/582625538.db2.gz ULXBIZBNCJDRSZ-SNVBAGLBSA-N 1 3 182.311 1.661 10 0 ADAEHO CCC[NH2+][C@H]1CCNC12CCC2 903465403 582625947 /nfs/dbraw/zinc/62/59/47/582625947.db2.gz IJYIUCVIGMEFNM-VIFPVBQESA-N 1 3 168.284 1.271 10 0 ADAEHO C1CC(C[NH2+][C@@H]2CCNC23CCC3)C1 903468284 582625741 /nfs/dbraw/zinc/62/57/41/582625741.db2.gz JZGNFHSGWMMSFX-LLVKDONJSA-N 1 3 194.322 1.661 10 0 ADAEHO CCCC[NH2+][C@H]1CCNC12CCC2 903466491 582625799 /nfs/dbraw/zinc/62/57/99/582625799.db2.gz ULXBIZBNCJDRSZ-JTQLQIEISA-N 1 3 182.311 1.661 10 0 ADAEHO CCC[NH2+][C@@H]1CCNC12CCC2 903465401 582625847 /nfs/dbraw/zinc/62/58/47/582625847.db2.gz IJYIUCVIGMEFNM-SECBINFHSA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]CC1CCCCC1 903960739 582629718 /nfs/dbraw/zinc/62/97/18/582629718.db2.gz XHMDKPGPZGQMCF-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC(CC)C[NH2+][C@@H]1CNC[C@H]1C 903960623 582629957 /nfs/dbraw/zinc/62/99/57/582629957.db2.gz RIIPHGFQRJEYJU-MWLCHTKSSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]CC(C)(C)C 903960305 582630006 /nfs/dbraw/zinc/63/00/06/582630006.db2.gz DCXFJVRXQDJEEY-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@H](CC1CCC1)[NH2+][C@@H]1CNC[C@H]1C 903963686 582630719 /nfs/dbraw/zinc/63/07/19/582630719.db2.gz FXCYCCMKYQEJOD-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C 903965071 582630403 /nfs/dbraw/zinc/63/04/03/582630403.db2.gz YZLNVRPXFRPBMO-LNFKQOIKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CNC[C@H]1C 903963687 582630409 /nfs/dbraw/zinc/63/04/09/582630409.db2.gz FXCYCCMKYQEJOD-JFGNBEQYSA-N 1 3 196.338 1.763 10 0 ADAEHO CCCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 903964575 582630436 /nfs/dbraw/zinc/63/04/36/582630436.db2.gz QYGRFOLFCCQBHW-GMTAPVOTSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]CC1(C)CCC1 903964383 582630513 /nfs/dbraw/zinc/63/05/13/582630513.db2.gz ORFRMNAFLORYOK-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 903964330 582630591 /nfs/dbraw/zinc/63/05/91/582630591.db2.gz NCRBNQUZOLHWNR-OUAUKWLOSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](CCC1CC1)[NH2+][C@@H]1CNC[C@H]1C 903963718 582630672 /nfs/dbraw/zinc/63/06/72/582630672.db2.gz GSFYQLBPIUEFPM-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C 903965069 582630607 /nfs/dbraw/zinc/63/06/07/582630607.db2.gz YZLNVRPXFRPBMO-CHWFTXMASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@H]1C 903965070 582630658 /nfs/dbraw/zinc/63/06/58/582630658.db2.gz YZLNVRPXFRPBMO-GWOFURMSSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964610 582630704 /nfs/dbraw/zinc/63/07/04/582630704.db2.gz RMOHCCDHZDFGLN-WISYIIOYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]CCC(C)(C)C 903964043 582630736 /nfs/dbraw/zinc/63/07/36/582630736.db2.gz KBDUJHWUCAJPGS-NXEZZACHSA-N 1 3 184.327 1.620 10 0 ADAEHO CCC[C@@H](C)C[NH2+][C@@H]1CNC[C@H]1C 903964063 582630742 /nfs/dbraw/zinc/63/07/42/582630742.db2.gz KOFUSYMMKIEVPE-GMTAPVOTSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H](CC1CC1)[NH2+][C@@H]1CNC[C@H]1C 903964802 582630748 /nfs/dbraw/zinc/63/07/48/582630748.db2.gz WDZBAYBZHYLMMK-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 903964382 582630752 /nfs/dbraw/zinc/63/07/52/582630752.db2.gz OPMINXYGWPECQH-RUJICJSRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CNC[C@H]1C 903963719 582630755 /nfs/dbraw/zinc/63/07/55/582630755.db2.gz GSFYQLBPIUEFPM-JFGNBEQYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]C[C@H](C)C(C)(C)C 903965055 582630768 /nfs/dbraw/zinc/63/07/68/582630768.db2.gz YVHHBWPPGOVYBX-OUAUKWLOSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCC1 903963556 582630790 /nfs/dbraw/zinc/63/07/90/582630790.db2.gz AWXRUOQCTWTTBB-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)C[C@H](C)C[NH2+][C@@H]1CNC[C@H]1C 903963739 582630795 /nfs/dbraw/zinc/63/07/95/582630795.db2.gz HKQZOWJMWLLNAF-QJPTWQEYSA-N 1 3 198.354 1.866 10 0 ADAEHO CCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1C 903963935 582630813 /nfs/dbraw/zinc/63/08/13/582630813.db2.gz JWUMTDYXCYXXLY-GMTAPVOTSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964608 582630939 /nfs/dbraw/zinc/63/09/39/582630939.db2.gz RMOHCCDHZDFGLN-IRCOFANPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964894 582630846 /nfs/dbraw/zinc/63/08/46/582630846.db2.gz XTCPIZUBBXWVSC-CHWFTXMASA-N 1 3 182.311 1.373 10 0 ADAEHO CCCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 903964576 582630860 /nfs/dbraw/zinc/63/08/60/582630860.db2.gz QYGRFOLFCCQBHW-OUAUKWLOSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)CCC[NH2+][C@@H]1CNC[C@H]1C 903964427 582630874 /nfs/dbraw/zinc/63/08/74/582630874.db2.gz QMSAXLSYZHWUFK-GHMZBOCLSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCC1 903963560 582630913 /nfs/dbraw/zinc/63/09/13/582630913.db2.gz AWXRUOQCTWTTBB-WCABBAIRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C 903965072 582630923 /nfs/dbraw/zinc/63/09/23/582630923.db2.gz YZLNVRPXFRPBMO-ZRUFSTJUSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964609 582630932 /nfs/dbraw/zinc/63/09/32/582630932.db2.gz RMOHCCDHZDFGLN-WHOHXGKFSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CNC[C@H]1C)C(C)(C)C 903965053 582630946 /nfs/dbraw/zinc/63/09/46/582630946.db2.gz YVHHBWPPGOVYBX-GMTAPVOTSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964897 582630975 /nfs/dbraw/zinc/63/09/75/582630975.db2.gz XTCPIZUBBXWVSC-LNFKQOIKSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@H](C)C[NH2+][C@@H]1CNC[C@H]1C 903964064 582630985 /nfs/dbraw/zinc/63/09/85/582630985.db2.gz KOFUSYMMKIEVPE-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H](CC1CC1)[NH2+][C@@H]1CNC[C@H]1C 903964804 582631004 /nfs/dbraw/zinc/63/10/04/582631004.db2.gz WDZBAYBZHYLMMK-WCABBAIRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 903964329 582631029 /nfs/dbraw/zinc/63/10/29/582631029.db2.gz NCRBNQUZOLHWNR-GMTAPVOTSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC1(C)C 903963570 582631062 /nfs/dbraw/zinc/63/10/62/582631062.db2.gz BCPWRNXGNSYZNA-MXWKQRLJSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964607 582631093 /nfs/dbraw/zinc/63/10/93/582631093.db2.gz RMOHCCDHZDFGLN-DDHJBXDOSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964895 582631099 /nfs/dbraw/zinc/63/10/99/582631099.db2.gz XTCPIZUBBXWVSC-GWOFURMSSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 903964898 582631118 /nfs/dbraw/zinc/63/11/18/582631118.db2.gz XTCPIZUBBXWVSC-ZRUFSTJUSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C 903963936 582631202 /nfs/dbraw/zinc/63/12/02/582631202.db2.gz JWUMTDYXCYXXLY-OUAUKWLOSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC1(C)C 903963569 582631273 /nfs/dbraw/zinc/63/12/73/582631273.db2.gz BCPWRNXGNSYZNA-GMTAPVOTSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CNC[C@H]1C 903963738 582631286 /nfs/dbraw/zinc/63/12/86/582631286.db2.gz HKQZOWJMWLLNAF-IJLUTSLNSA-N 1 3 198.354 1.866 10 0 ADAEHO CC(C)[C@@H](C)C1=C[C@@H]([NH3+])CNC1 675078578 582665021 /nfs/dbraw/zinc/66/50/21/582665021.db2.gz QYQHTTNMCXVPTE-PSASIEDQSA-N 1 3 168.284 1.135 10 0 ADAEHO CCC(C)(C)C1=C[C@H]([NH3+])CNC1 675078546 582665062 /nfs/dbraw/zinc/66/50/62/582665062.db2.gz QNOGIJURAKFFQX-VIFPVBQESA-N 1 3 168.284 1.280 10 0 ADAEHO C[C@H](CC1=C[C@@H]([NH3+])CNC1)C(C)(C)C 675078572 582664797 /nfs/dbraw/zinc/66/47/97/582664797.db2.gz QWLCUKLNSRMUFE-MWLCHTKSSA-N 1 3 196.338 1.916 10 0 ADAEHO CC(C)[C@@H](C)C1=C[C@H]([NH3+])CNC1 675078579 582664815 /nfs/dbraw/zinc/66/48/15/582664815.db2.gz QYQHTTNMCXVPTE-SCZZXKLOSA-N 1 3 168.284 1.135 10 0 ADAEHO C[C@@H](CC1=C[C@@H]([NH3+])CNC1)C(C)(C)C 675078570 582664988 /nfs/dbraw/zinc/66/49/88/582664988.db2.gz QWLCUKLNSRMUFE-GXSJLCMTSA-N 1 3 196.338 1.916 10 0 ADAEHO C[C@@H](CC1=C[C@H]([NH3+])CNC1)C(C)(C)C 675078573 582665122 /nfs/dbraw/zinc/66/51/22/582665122.db2.gz QWLCUKLNSRMUFE-ONGXEEELSA-N 1 3 196.338 1.916 10 0 ADAEHO CC(C)[C@H](C)C1=C[C@H]([NH3+])CNC1 675078581 582665176 /nfs/dbraw/zinc/66/51/76/582665176.db2.gz QYQHTTNMCXVPTE-WPRPVWTQSA-N 1 3 168.284 1.135 10 0 ADAEHO CC(C)[C@H](C)C1=C[C@@H]([NH3+])CNC1 675078580 582665227 /nfs/dbraw/zinc/66/52/27/582665227.db2.gz QYQHTTNMCXVPTE-WCBMZHEXSA-N 1 3 168.284 1.135 10 0 ADAEHO C[C@H](CC1=C[C@H]([NH3+])CNC1)C(C)(C)C 675078571 582665275 /nfs/dbraw/zinc/66/52/75/582665275.db2.gz QWLCUKLNSRMUFE-KOLCDFICSA-N 1 3 196.338 1.916 10 0 ADAEHO CCCN1CC[C@@H]([NH3+])C12CCC2 606251338 582703613 /nfs/dbraw/zinc/70/36/13/582703613.db2.gz PGWQURJYUGJDBI-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])C12CCC2 606251258 582703650 /nfs/dbraw/zinc/70/36/50/582703650.db2.gz JKKVQSMDTJQEAS-SECBINFHSA-N 1 3 168.284 1.351 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])C12CCC2 606251261 582703771 /nfs/dbraw/zinc/70/37/71/582703771.db2.gz JKKVQSMDTJQEAS-VIFPVBQESA-N 1 3 168.284 1.351 10 0 ADAEHO CCCN1CC[C@H]([NH3+])C12CCC2 606251339 582704080 /nfs/dbraw/zinc/70/40/80/582704080.db2.gz PGWQURJYUGJDBI-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CCN[C@@H](C)C1 229541218 582706569 /nfs/dbraw/zinc/70/65/69/582706569.db2.gz WSDCGVVBLQMADT-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CCN[C@@H](C)C1 229541218 582706571 /nfs/dbraw/zinc/70/65/71/582706571.db2.gz WSDCGVVBLQMADT-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2C[C@@H]21 767590520 582832513 /nfs/dbraw/zinc/83/25/13/582832513.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 1 3 194.322 1.565 10 0 ADAEHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2C[C@@H]21 767590520 582832515 /nfs/dbraw/zinc/83/25/15/582832515.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 1 3 194.322 1.565 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2C[C@H]21 767590512 582832701 /nfs/dbraw/zinc/83/27/01/582832701.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 1 3 194.322 1.565 10 0 ADAEHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2C[C@H]21 767590512 582832703 /nfs/dbraw/zinc/83/27/03/582832703.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 1 3 194.322 1.565 10 0 ADAEHO C[C@H](C1CC1)N1CCC([NH+](C)C)CC1 777781635 582867977 /nfs/dbraw/zinc/86/79/77/582867977.db2.gz ZNLGWSNCHJIVBR-SNVBAGLBSA-N 1 3 196.338 1.811 10 0 ADAEHO C[C@@H](C1CC1)N1CCC([NH+](C)C)CC1 777781634 582868327 /nfs/dbraw/zinc/86/83/27/582868327.db2.gz ZNLGWSNCHJIVBR-JTQLQIEISA-N 1 3 196.338 1.811 10 0 ADAEHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 788486989 582902682 /nfs/dbraw/zinc/90/26/82/582902682.db2.gz AOUITTJQZWAOEN-LLVKDONJSA-N 1 3 196.338 1.670 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 788486989 582902684 /nfs/dbraw/zinc/90/26/84/582902684.db2.gz AOUITTJQZWAOEN-LLVKDONJSA-N 1 3 196.338 1.670 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 788486990 582903083 /nfs/dbraw/zinc/90/30/83/582903083.db2.gz AOUITTJQZWAOEN-NSHDSACASA-N 1 3 196.338 1.670 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 788486990 582903087 /nfs/dbraw/zinc/90/30/87/582903087.db2.gz AOUITTJQZWAOEN-NSHDSACASA-N 1 3 196.338 1.670 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]1C(C)C 854232774 583234828 /nfs/dbraw/zinc/23/48/28/583234828.db2.gz TVPMFAQLZICXNZ-GARJFASQSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 757127685 582941997 /nfs/dbraw/zinc/94/19/97/582941997.db2.gz HUJIFKCAJLGKMU-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 757127685 582942001 /nfs/dbraw/zinc/94/20/01/582942001.db2.gz HUJIFKCAJLGKMU-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 757127685 582942002 /nfs/dbraw/zinc/94/20/02/582942002.db2.gz HUJIFKCAJLGKMU-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H](C)N1CCC[C@]12CC[NH2+]C2 757124442 582942028 /nfs/dbraw/zinc/94/20/28/582942028.db2.gz CGEWWAXTCCZNPI-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 757127689 582942076 /nfs/dbraw/zinc/94/20/76/582942076.db2.gz HUJIFKCAJLGKMU-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 757127689 582942078 /nfs/dbraw/zinc/94/20/78/582942078.db2.gz HUJIFKCAJLGKMU-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 757127689 582942079 /nfs/dbraw/zinc/94/20/79/582942079.db2.gz HUJIFKCAJLGKMU-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@@]12CCCNC2 757129939 582942409 /nfs/dbraw/zinc/94/24/09/582942409.db2.gz NCTUOGXVGLELJE-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@H]1[N@H+]1CCC[C@@]12CCCNC2 757129939 582942413 /nfs/dbraw/zinc/94/24/13/582942413.db2.gz NCTUOGXVGLELJE-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@]12CCCNC2 757129921 582942427 /nfs/dbraw/zinc/94/24/27/582942427.db2.gz NCTUOGXVGLELJE-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@]12CCCNC2 757129921 582942430 /nfs/dbraw/zinc/94/24/30/582942430.db2.gz NCTUOGXVGLELJE-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO CC(C)N1CCC[C@]12C[NH2+]C[C@H](C)C2 757127674 582942556 /nfs/dbraw/zinc/94/25/56/582942556.db2.gz HUJIFKCAJLGKMU-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@]12CNC[C@H](C)C2 757127674 582942558 /nfs/dbraw/zinc/94/25/58/582942558.db2.gz HUJIFKCAJLGKMU-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@]12CNC[C@H](C)C2 757127674 582942561 /nfs/dbraw/zinc/94/25/61/582942561.db2.gz HUJIFKCAJLGKMU-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H](C)N1CCC[C@@]12CC[NH2+]C2 757124455 582942615 /nfs/dbraw/zinc/94/26/15/582942615.db2.gz CGEWWAXTCCZNPI-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H](C)N1CCC[C@@]12CC[NH2+]C2 757124429 582942725 /nfs/dbraw/zinc/94/27/25/582942725.db2.gz CGEWWAXTCCZNPI-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCc1cc(N2CC[C@@H]2C[NH3+])ccn1 757152996 582944934 /nfs/dbraw/zinc/94/49/34/582944934.db2.gz SFFJVUXKABJTIM-LLVKDONJSA-N 1 3 191.278 1.181 10 0 ADAEHO CCc1cc(N2CC[C@H]2C[NH3+])ccn1 757152998 582944997 /nfs/dbraw/zinc/94/49/97/582944997.db2.gz SFFJVUXKABJTIM-NSHDSACASA-N 1 3 191.278 1.181 10 0 ADAEHO CC[C@@]1(C)CCOC2(CCNCC2)[NH2+]1 757154340 582945869 /nfs/dbraw/zinc/94/58/69/582945869.db2.gz ZYRRSHOVNMONIP-JTQLQIEISA-N 1 3 198.310 1.245 10 0 ADAEHO CC[C@]1(C)CCOC2(CCNCC2)[NH2+]1 757154349 582945928 /nfs/dbraw/zinc/94/59/28/582945928.db2.gz ZYRRSHOVNMONIP-SNVBAGLBSA-N 1 3 198.310 1.245 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](C)[C@H]([NH3+])CN1 757208664 582950761 /nfs/dbraw/zinc/95/07/61/582950761.db2.gz ALPWODVFGJGELF-OPRDCNLKSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@H]2CCCNC2)C1 757212696 582950810 /nfs/dbraw/zinc/95/08/10/582950810.db2.gz JPAHSJGYNBBEOV-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 757208657 582950850 /nfs/dbraw/zinc/95/08/50/582950850.db2.gz ALPWODVFGJGELF-BBBLOLIVSA-N 1 3 170.300 1.358 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](C)[C@H]([NH3+])CN1 757208658 582951096 /nfs/dbraw/zinc/95/10/96/582951096.db2.gz ALPWODVFGJGELF-IVZWLZJFSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@H]1[NH2+]CCC[C@H]1CN 757212527 582951393 /nfs/dbraw/zinc/95/13/93/582951393.db2.gz IQIJNPXZHVLSGJ-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CCCNC2)[NH2+]1 757211699 582951409 /nfs/dbraw/zinc/95/14/09/582951409.db2.gz IMLCAYRSWLFYKH-WRWGMCAJSA-N 1 3 196.338 1.763 10 0 ADAEHO CCCC[C@@H]1[NH2+]CCC[C@@H]1CN 757212530 582951441 /nfs/dbraw/zinc/95/14/41/582951441.db2.gz IQIJNPXZHVLSGJ-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO CCCC[C@H]1NCCC[C@@H]1[NH3+] 757214343 582951644 /nfs/dbraw/zinc/95/16/44/582951644.db2.gz LZXYDIMTQGFRQC-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1NCCC[C@H]1[NH3+] 757214332 582951664 /nfs/dbraw/zinc/95/16/64/582951664.db2.gz LZXYDIMTQGFRQC-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@@H]1C[C@H](N)C[NH2+][C@@H]1c1cccs1 757213397 582951681 /nfs/dbraw/zinc/95/16/81/582951681.db2.gz JXWMBQZNIOHCKE-WEDXCCLWSA-N 1 3 196.319 1.746 10 0 ADAEHO CCCC[C@@H]1N[C@@H](C)CC[C@H]1[NH3+] 757212380 582951698 /nfs/dbraw/zinc/95/16/98/582951698.db2.gz INJHXEZKKQDQBM-AEJSXWLSSA-N 1 3 170.300 1.644 10 0 ADAEHO CCCC[C@@H]1NCCC[C@@H]1[NH3+] 757214349 582951713 /nfs/dbraw/zinc/95/17/13/582951713.db2.gz LZXYDIMTQGFRQC-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1N[C@@H](C)CC[C@@H]1[NH3+] 757212382 582951765 /nfs/dbraw/zinc/95/17/65/582951765.db2.gz INJHXEZKKQDQBM-GUBZILKMSA-N 1 3 170.300 1.644 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1CN 757212362 582951813 /nfs/dbraw/zinc/95/18/13/582951813.db2.gz IMLLBNHEYGRWOW-USZNOCQGSA-N 1 3 198.354 1.994 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCCNC2)C1 757212667 582951873 /nfs/dbraw/zinc/95/18/73/582951873.db2.gz JPAHSJGYNBBEOV-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCNC2)C1 757212663 582951890 /nfs/dbraw/zinc/95/18/90/582951890.db2.gz JPAHSJGYNBBEOV-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@H]1c1cccs1 757213395 582951897 /nfs/dbraw/zinc/95/18/97/582951897.db2.gz JXWMBQZNIOHCKE-NQMVMOMDSA-N 1 3 196.319 1.746 10 0 ADAEHO CC[C@@H]1[NH2+][C@H](C)CC[C@H]1CN 757216657 582951917 /nfs/dbraw/zinc/95/19/17/582951917.db2.gz QMHYJOWLIPXQLL-VGMNWLOBSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1CN 757212363 582951921 /nfs/dbraw/zinc/95/19/21/582951921.db2.gz IMLLBNHEYGRWOW-WYUUTHIRSA-N 1 3 198.354 1.994 10 0 ADAEHO CCCC[C@H]1NCCC[C@H]1[NH3+] 757214352 582951954 /nfs/dbraw/zinc/95/19/54/582951954.db2.gz LZXYDIMTQGFRQC-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1N[C@H](C)CC[C@H]1[NH3+] 757212381 582951987 /nfs/dbraw/zinc/95/19/87/582951987.db2.gz INJHXEZKKQDQBM-BBBLOLIVSA-N 1 3 170.300 1.644 10 0 ADAEHO CC(C)C[C@H]1CC[C@H]([NH3+])CN1 757216642 582952072 /nfs/dbraw/zinc/95/20/72/582952072.db2.gz PPOBBTBWAOMNOW-DTWKUNHWSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@@H]1c1cccs1 757213392 582952096 /nfs/dbraw/zinc/95/20/96/582952096.db2.gz JXWMBQZNIOHCKE-MRTMQBJTSA-N 1 3 196.319 1.746 10 0 ADAEHO CCCC[C@@H]1N[C@H](C)CC[C@@H]1[NH3+] 757212383 582952194 /nfs/dbraw/zinc/95/21/94/582952194.db2.gz INJHXEZKKQDQBM-UTLUCORTSA-N 1 3 170.300 1.644 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCCNC2)C1 757212665 582952263 /nfs/dbraw/zinc/95/22/63/582952263.db2.gz JPAHSJGYNBBEOV-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[C@H](N)C[NH2+][C@H]1c1cccs1 757213389 582952433 /nfs/dbraw/zinc/95/24/33/582952433.db2.gz JXWMBQZNIOHCKE-KHQFGBGNSA-N 1 3 196.319 1.746 10 0 ADAEHO CCCC[C@@H]1NCC[C@@H](C)[C@@H]1[NH3+] 757213318 582952439 /nfs/dbraw/zinc/95/24/39/582952439.db2.gz JGXXSGRFZIIANF-UTLUCORTSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCC[C@H]1[NH2+]CCC[C@@H]1CN 757212516 582952477 /nfs/dbraw/zinc/95/24/77/582952477.db2.gz IQIJNPXZHVLSGJ-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO CCCC[C@@H]1[NH2+]CCC[C@H]1CN 757212524 582952480 /nfs/dbraw/zinc/95/24/80/582952480.db2.gz IQIJNPXZHVLSGJ-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@H](C)CC[C@@H]1CN 757215130 582952484 /nfs/dbraw/zinc/95/24/84/582952484.db2.gz MPOCORCYUYZBMY-MXWKQRLJSA-N 1 3 184.327 1.748 10 0 ADAEHO CCCC[C@@H]1CC[C@H]([NH3+])CN1 757215870 582952605 /nfs/dbraw/zinc/95/26/05/582952605.db2.gz NXWQCVFIOQWBNW-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@H]1CC[C@H]([NH3+])CN1 757215874 582952677 /nfs/dbraw/zinc/95/26/77/582952677.db2.gz NXWQCVFIOQWBNW-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@@H]1CN 757215124 582952699 /nfs/dbraw/zinc/95/26/99/582952699.db2.gz MPOCORCYUYZBMY-AXFHLTTASA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@@H](C)CC[C@H]1CN 757215128 582952833 /nfs/dbraw/zinc/95/28/33/582952833.db2.gz MPOCORCYUYZBMY-DCAQKATOSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)C[C@@H]1CC[C@@H]([NH3+])CN1 757216640 582952912 /nfs/dbraw/zinc/95/29/12/582952912.db2.gz PPOBBTBWAOMNOW-BDAKNGLRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)C[C@@H]1CC[C@H]([NH3+])CN1 757216645 582952948 /nfs/dbraw/zinc/95/29/48/582952948.db2.gz PPOBBTBWAOMNOW-IUCAKERBSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@@H]1[NH2+][C@@H](C)CC[C@H]1CN 757216649 582952969 /nfs/dbraw/zinc/95/29/69/582952969.db2.gz QMHYJOWLIPXQLL-CIUDSAMLSA-N 1 3 156.273 1.112 10 0 ADAEHO [NH3+]C[C@@H]1CNC[C@@H](c2cccs2)C1 757215879 582953053 /nfs/dbraw/zinc/95/30/53/582953053.db2.gz NZSAPRJSAKQGJR-BDAKNGLRSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@@H](c2cccs2)C1 757215879 582953055 /nfs/dbraw/zinc/95/30/55/582953055.db2.gz NZSAPRJSAKQGJR-BDAKNGLRSA-N 1 3 196.319 1.400 10 0 ADAEHO CC[C@@H]1[NH2+][C@H](C)CC[C@@H]1CN 757216651 582953088 /nfs/dbraw/zinc/95/30/88/582953088.db2.gz QMHYJOWLIPXQLL-HLTSFMKQSA-N 1 3 156.273 1.112 10 0 ADAEHO [NH3+]C[C@H]1CNC[C@@H](c2cccs2)C1 757215885 582953105 /nfs/dbraw/zinc/95/31/05/582953105.db2.gz NZSAPRJSAKQGJR-IUCAKERBSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@@H](c2cccs2)C1 757215885 582953107 /nfs/dbraw/zinc/95/31/07/582953107.db2.gz NZSAPRJSAKQGJR-IUCAKERBSA-N 1 3 196.319 1.400 10 0 ADAEHO [NH3+]C[C@H]1CNC[C@H](c2cccs2)C1 757215882 582953185 /nfs/dbraw/zinc/95/31/85/582953185.db2.gz NZSAPRJSAKQGJR-DTWKUNHWSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@H](c2cccs2)C1 757215882 582953188 /nfs/dbraw/zinc/95/31/88/582953188.db2.gz NZSAPRJSAKQGJR-DTWKUNHWSA-N 1 3 196.319 1.400 10 0 ADAEHO CCCC[C@@H]1CC[C@@H]([NH3+])CN1 757215876 582953220 /nfs/dbraw/zinc/95/32/20/582953220.db2.gz NXWQCVFIOQWBNW-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@H]1CC[C@@H]([NH3+])CN1 757215866 582953336 /nfs/dbraw/zinc/95/33/36/582953336.db2.gz NXWQCVFIOQWBNW-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO [NH3+]C[C@@H]1CNC[C@H](c2cccs2)C1 757215889 582953487 /nfs/dbraw/zinc/95/34/87/582953487.db2.gz NZSAPRJSAKQGJR-RKDXNWHRSA-N 1 3 196.319 1.400 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@H](c2cccs2)C1 757215889 582953490 /nfs/dbraw/zinc/95/34/90/582953490.db2.gz NZSAPRJSAKQGJR-RKDXNWHRSA-N 1 3 196.319 1.400 10 0 ADAEHO CC(C)C[C@H]1CC[C@@H]([NH3+])CN1 757216648 582953532 /nfs/dbraw/zinc/95/35/32/582953532.db2.gz PPOBBTBWAOMNOW-RKDXNWHRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@@H]1[NH2+][C@@H](C)CC[C@@H]1CN 757216661 582953544 /nfs/dbraw/zinc/95/35/44/582953544.db2.gz QMHYJOWLIPXQLL-YIZRAAEISA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1CC[C@@H]([C@H]2CCCNC2)[NH2+]C1 757217683 582953825 /nfs/dbraw/zinc/95/38/25/582953825.db2.gz RXWFCYHCXVHTJO-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)C[C@@H]1NCC[C@H](C)[C@H]1[NH3+] 757218995 582953864 /nfs/dbraw/zinc/95/38/64/582953864.db2.gz XMGYFBPNAHKQKS-LPEHRKFASA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@@H]1C[NH2+][C@H]([C@@H]2CCCNC2)[C@@H](C)C1 757218125 582953902 /nfs/dbraw/zinc/95/39/02/582953902.db2.gz TUHMQWNCOGTAKN-YFKTTZPYSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1CC[C@H]([C@H]2CCCNC2)[NH2+]C1 757217682 582953981 /nfs/dbraw/zinc/95/39/81/582953981.db2.gz RXWFCYHCXVHTJO-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+][C@H]([C@H]2CCCNC2)[C@@H](C)C1 757218122 582953987 /nfs/dbraw/zinc/95/39/87/582953987.db2.gz TUHMQWNCOGTAKN-BJDJZHNGSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CCCNC1 757219301 582953995 /nfs/dbraw/zinc/95/39/95/582953995.db2.gz WSUNDZGZZMPVNR-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCC[C@@H]1CC[C@@H]([NH3+])[C@H](C)N1 757217530 582954002 /nfs/dbraw/zinc/95/40/02/582954002.db2.gz RYALTONKEOMNOI-IVZWLZJFSA-N 1 3 170.300 1.644 10 0 ADAEHO CCCC[C@@H]1CC[C@@H]([NH3+])[C@@H](C)N1 757217536 582954011 /nfs/dbraw/zinc/95/40/11/582954011.db2.gz RYALTONKEOMNOI-OPRDCNLKSA-N 1 3 170.300 1.644 10 0 ADAEHO CCCC[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 757216837 582954015 /nfs/dbraw/zinc/95/40/15/582954015.db2.gz QFNMQAUJTVYABR-BBBLOLIVSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@@H]1CN 757218258 582954024 /nfs/dbraw/zinc/95/40/24/582954024.db2.gz URSZYAPAFQGBKO-JXUBOQSCSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@@H]1C[NH2+][C@H]([C@@H]2CCCNC2)[C@H](C)C1 757218123 582954061 /nfs/dbraw/zinc/95/40/61/582954061.db2.gz TUHMQWNCOGTAKN-QCNOEVLYSA-N 1 3 196.338 1.620 10 0 ADAEHO CCCC[C@@H]1[NH2+][C@@H](C)CC[C@H]1CN 757219860 582954064 /nfs/dbraw/zinc/95/40/64/582954064.db2.gz ZCJXDXCAASDWCH-DCAQKATOSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@H]1[C@@H]1CCCNC1 757219297 582954144 /nfs/dbraw/zinc/95/41/44/582954144.db2.gz WSUNDZGZZMPVNR-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)C[C@@H]1NCC[C@@H](C)[C@H]1[NH3+] 757218981 582954206 /nfs/dbraw/zinc/95/42/06/582954206.db2.gz XMGYFBPNAHKQKS-KXUCPTDWSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@@H]1[NH2+][C@H](C)CC[C@@H]1CN 757219862 582954249 /nfs/dbraw/zinc/95/42/49/582954249.db2.gz ZCJXDXCAASDWCH-MXWKQRLJSA-N 1 3 184.327 1.892 10 0 ADAEHO CCCC[C@H]1C[C@@H](N)CC[NH2+]1 757219669 582954264 /nfs/dbraw/zinc/95/42/64/582954264.db2.gz ZBGHQXMDNUXEJO-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@H]1C[C@@H]([NH3+])CCN1 757219669 582954267 /nfs/dbraw/zinc/95/42/67/582954267.db2.gz ZBGHQXMDNUXEJO-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@@H]1CN 757218256 582954282 /nfs/dbraw/zinc/95/42/82/582954282.db2.gz URSZYAPAFQGBKO-IMSYWVGJSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@@H]1CC[C@H]([C@@H]2CCCNC2)[NH2+]C1 757217679 582954294 /nfs/dbraw/zinc/95/42/94/582954294.db2.gz RXWFCYHCXVHTJO-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+][C@H]([C@H]2CCCNC2)[C@H](C)C1 757218124 582954315 /nfs/dbraw/zinc/95/43/15/582954315.db2.gz TUHMQWNCOGTAKN-USZNOCQGSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)C[C@@H]1NCC[C@H](C)[C@@H]1[NH3+] 757218969 582954361 /nfs/dbraw/zinc/95/43/61/582954361.db2.gz XMGYFBPNAHKQKS-GUBZILKMSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@@H]1C[C@@H](C)[C@H]([NH3+])CN1 757216840 582954384 /nfs/dbraw/zinc/95/43/84/582954384.db2.gz QFNMQAUJTVYABR-OPRDCNLKSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]1CC[C@@H]([C@@H]2CCCNC2)[NH2+]C1 757217681 582954395 /nfs/dbraw/zinc/95/43/95/582954395.db2.gz RXWFCYHCXVHTJO-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCC[C@@H]1C[C@H](C)[C@H]([NH3+])CN1 757216839 582954415 /nfs/dbraw/zinc/95/44/15/582954415.db2.gz QFNMQAUJTVYABR-IVZWLZJFSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCC[C@@H]1[NH2+][C@@H](C)CC[C@@H]1CN 757219708 582954452 /nfs/dbraw/zinc/95/44/52/582954452.db2.gz ZCJXDXCAASDWCH-AXFHLTTASA-N 1 3 184.327 1.892 10 0 ADAEHO CCCC[C@@H]1CC[C@H]([NH3+])[C@@H](C)N1 757217525 582954629 /nfs/dbraw/zinc/95/46/29/582954629.db2.gz RYALTONKEOMNOI-BBBLOLIVSA-N 1 3 170.300 1.644 10 0 ADAEHO CC[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@H]1CN 757218257 582954679 /nfs/dbraw/zinc/95/46/79/582954679.db2.gz URSZYAPAFQGBKO-JLIMGVALSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@@H]1CC[C@H]([NH3+])[C@H](C)N1 757217521 582954715 /nfs/dbraw/zinc/95/47/15/582954715.db2.gz RYALTONKEOMNOI-AEJSXWLSSA-N 1 3 170.300 1.644 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1[C@H]1CCCNC1 757219305 582954727 /nfs/dbraw/zinc/95/47/27/582954727.db2.gz WSUNDZGZZMPVNR-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@H]1[C@H]1CCCNC1 757219303 582954751 /nfs/dbraw/zinc/95/47/51/582954751.db2.gz WSUNDZGZZMPVNR-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@H]1CN 757218259 582954786 /nfs/dbraw/zinc/95/47/86/582954786.db2.gz URSZYAPAFQGBKO-KYXWUPHJSA-N 1 3 170.300 1.358 10 0 ADAEHO CC(C)C[C@@H]1NCC[C@@H](C)[C@@H]1[NH3+] 757219005 582954826 /nfs/dbraw/zinc/95/48/26/582954826.db2.gz XMGYFBPNAHKQKS-UTLUCORTSA-N 1 3 170.300 1.358 10 0 ADAEHO CCCC[C@@H]1C[C@H](C)[C@@H]([NH3+])CN1 757216836 582954838 /nfs/dbraw/zinc/95/48/38/582954838.db2.gz QFNMQAUJTVYABR-AEJSXWLSSA-N 1 3 170.300 1.502 10 0 ADAEHO CCCC[C@@H]1C[C@H](N)CC[NH2+]1 757219677 582954929 /nfs/dbraw/zinc/95/49/29/582954929.db2.gz ZBGHQXMDNUXEJO-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1C[C@H]([NH3+])CCN1 757219677 582954931 /nfs/dbraw/zinc/95/49/31/582954931.db2.gz ZBGHQXMDNUXEJO-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[C@@H]1[NH2+][C@H](C)CC[C@H]1CN 757219863 582954945 /nfs/dbraw/zinc/95/49/45/582954945.db2.gz ZCJXDXCAASDWCH-VWYCJHECSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 817940455 582998775 /nfs/dbraw/zinc/99/87/75/582998775.db2.gz HWKDHWKHRKYFPX-GRYCIOLGSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 817940457 582998760 /nfs/dbraw/zinc/99/87/60/582998760.db2.gz HWKDHWKHRKYFPX-SRVKXCTJSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 817940458 582998912 /nfs/dbraw/zinc/99/89/12/582998912.db2.gz HWKDHWKHRKYFPX-WOPDTQHZSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN 817938339 582999105 /nfs/dbraw/zinc/99/91/05/582999105.db2.gz JDPDXRQDFFVGJL-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1[NH2+]CCCN 817938337 582999123 /nfs/dbraw/zinc/99/91/23/582999123.db2.gz JDPDXRQDFFVGJL-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO NCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 817938860 582999167 /nfs/dbraw/zinc/99/91/67/582999167.db2.gz UPWOJLCXCYXBNM-NXEZZACHSA-N 1 3 168.284 1.113 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN 817938340 582999202 /nfs/dbraw/zinc/99/92/02/582999202.db2.gz JDPDXRQDFFVGJL-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN 817938338 582999277 /nfs/dbraw/zinc/99/92/77/582999277.db2.gz JDPDXRQDFFVGJL-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO NCCC[NH2+][C@@H]1CC[C@H]1C1CC1 817938862 582999288 /nfs/dbraw/zinc/99/92/88/582999288.db2.gz UPWOJLCXCYXBNM-VHSXEESVSA-N 1 3 168.284 1.113 10 0 ADAEHO NCCC[NH2+][C@H]1CC[C@@H]1C1CC1 817938863 582999294 /nfs/dbraw/zinc/99/92/94/582999294.db2.gz UPWOJLCXCYXBNM-ZJUUUORDSA-N 1 3 168.284 1.113 10 0 ADAEHO NCCC[NH2+][C@H]1CC[C@H]1C1CC1 817938861 582999365 /nfs/dbraw/zinc/99/93/65/582999365.db2.gz UPWOJLCXCYXBNM-UWVGGRQHSA-N 1 3 168.284 1.113 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 817940456 582999430 /nfs/dbraw/zinc/99/94/30/582999430.db2.gz HWKDHWKHRKYFPX-SDDRHHMPSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1NCC[NH2+]C1CC1 817951929 582999620 /nfs/dbraw/zinc/99/96/20/582999620.db2.gz BORILBYSGYSLPE-RYUDHWBXSA-N 1 3 196.338 1.763 10 0 ADAEHO CNCCC[NH2+][C@H]1CC[C@@H]1C(C)C 817941647 582999662 /nfs/dbraw/zinc/99/96/62/582999662.db2.gz USHSOPCEIFXSOT-MNOVXSKESA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@H](C)CN 817962033 582999768 /nfs/dbraw/zinc/99/97/68/582999768.db2.gz GXMFOHJOCPGIBC-GMTAPVOTSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1NCC[NH2+]C1CC1 817951927 582999804 /nfs/dbraw/zinc/99/98/04/582999804.db2.gz BORILBYSGYSLPE-NEPJUHHUSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1NCC[NH2+]C1CC1 817951928 582999833 /nfs/dbraw/zinc/99/98/33/582999833.db2.gz BORILBYSGYSLPE-NWDGAFQWSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 817968210 582999848 /nfs/dbraw/zinc/99/98/48/582999848.db2.gz HWKDHWKHRKYFPX-IJLUTSLNSA-N 1 3 196.338 1.763 10 0 ADAEHO CNCCC[NH2+][C@@H]1CC[C@H]1C(C)C 817941650 582999858 /nfs/dbraw/zinc/99/98/58/582999858.db2.gz USHSOPCEIFXSOT-WDEREUQCSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CNC1 817965925 582999866 /nfs/dbraw/zinc/99/98/66/582999866.db2.gz XBUHAESLXFUZKA-QWRGUYRKSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CNC1 817965921 582999873 /nfs/dbraw/zinc/99/98/73/582999873.db2.gz XBUHAESLXFUZKA-GHMZBOCLSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 817968211 582999880 /nfs/dbraw/zinc/99/98/80/582999880.db2.gz HWKDHWKHRKYFPX-UTUOFQBUSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@H](C)CN 817962034 582999905 /nfs/dbraw/zinc/99/99/05/582999905.db2.gz GXMFOHJOCPGIBC-MXWKQRLJSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)CN 817962035 582999909 /nfs/dbraw/zinc/99/99/09/582999909.db2.gz GXMFOHJOCPGIBC-OUAUKWLOSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC1 817944975 582999955 /nfs/dbraw/zinc/99/99/55/582999955.db2.gz QOKLLHNMZQITNW-VWYCJHECSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)CN 817962036 583000006 /nfs/dbraw/zinc/00/00/06/583000006.db2.gz GXMFOHJOCPGIBC-VWYCJHECSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 817964874 583000058 /nfs/dbraw/zinc/00/00/58/583000058.db2.gz HWKDHWKHRKYFPX-TUAOUCFPSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1NCC[NH2+]C1CC1 817951931 583000116 /nfs/dbraw/zinc/00/01/16/583000116.db2.gz BORILBYSGYSLPE-VXGBXAGGSA-N 1 3 196.338 1.763 10 0 ADAEHO CNCCC[NH2+][C@@H]1CC[C@@H]1C(C)C 817941646 583000255 /nfs/dbraw/zinc/00/02/55/583000255.db2.gz USHSOPCEIFXSOT-GHMZBOCLSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CNC1 817965923 583000259 /nfs/dbraw/zinc/00/02/59/583000259.db2.gz XBUHAESLXFUZKA-MNOVXSKESA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC1 817944974 583000276 /nfs/dbraw/zinc/00/02/76/583000276.db2.gz QOKLLHNMZQITNW-OUAUKWLOSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CNC1 817965927 583000284 /nfs/dbraw/zinc/00/02/84/583000284.db2.gz XBUHAESLXFUZKA-WDEREUQCSA-N 1 3 182.311 1.230 10 0 ADAEHO CNCCC[NH2+][C@H]1CC[C@H]1C(C)C 817941649 583000345 /nfs/dbraw/zinc/00/03/45/583000345.db2.gz USHSOPCEIFXSOT-QWRGUYRKSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC1 817944972 583000366 /nfs/dbraw/zinc/00/03/66/583000366.db2.gz QOKLLHNMZQITNW-DCAQKATOSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 817964873 583000385 /nfs/dbraw/zinc/00/03/85/583000385.db2.gz HWKDHWKHRKYFPX-QJPTWQEYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC1 817944973 583000683 /nfs/dbraw/zinc/00/06/83/583000683.db2.gz QOKLLHNMZQITNW-GARJFASQSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CC[C@H]1C1CC1 817972496 583001209 /nfs/dbraw/zinc/00/12/09/583001209.db2.gz MATLOGMAAJXKKN-MIMYLULJSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CC[C@@H]1C1CC1 817972495 583001437 /nfs/dbraw/zinc/00/14/37/583001437.db2.gz MATLOGMAAJXKKN-IEBDPFPHSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1C1CC1 817972494 583001464 /nfs/dbraw/zinc/00/14/64/583001464.db2.gz MATLOGMAAJXKKN-FBIMIBRVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CC[C@H]1C1CC1 817972493 583001472 /nfs/dbraw/zinc/00/14/72/583001472.db2.gz MATLOGMAAJXKKN-DVVUODLYSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H]1CC[C@@H]1C(C)C 854232772 583234588 /nfs/dbraw/zinc/23/45/88/583234588.db2.gz TVPMFAQLZICXNZ-AXFHLTTASA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H]1CC[C@H]1C(C)C 854232773 583234624 /nfs/dbraw/zinc/23/46/24/583234624.db2.gz TVPMFAQLZICXNZ-DCAQKATOSA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]1C(C)C 854232775 583235008 /nfs/dbraw/zinc/23/50/08/583235008.db2.gz TVPMFAQLZICXNZ-HBNTYKKESA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 863547251 583310771 /nfs/dbraw/zinc/31/07/71/583310771.db2.gz QTJUQZFVKXZNRW-YFKTTZPYSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 863547249 583310985 /nfs/dbraw/zinc/31/09/85/583310985.db2.gz QTJUQZFVKXZNRW-NNYUYHANSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CCNC1 863547245 583311103 /nfs/dbraw/zinc/31/11/03/583311103.db2.gz QOKLLHNMZQITNW-GMTAPVOTSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 863547248 583311246 /nfs/dbraw/zinc/31/12/46/583311246.db2.gz QTJUQZFVKXZNRW-IRCOFANPSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CCNC1 863547246 583311310 /nfs/dbraw/zinc/31/13/10/583311310.db2.gz QOKLLHNMZQITNW-MXWKQRLJSA-N 1 3 182.311 1.373 10 0 ADAEHO C1CC([NH2+][C@@H]2CCNC23CCC3)C1 863481484 583311317 /nfs/dbraw/zinc/31/13/17/583311317.db2.gz DVGCYBHYPBRCPH-SNVBAGLBSA-N 1 3 180.295 1.413 10 0 ADAEHO C1CC([NH2+][C@H]2CCNC23CCC3)C1 863481479 583311369 /nfs/dbraw/zinc/31/13/69/583311369.db2.gz DVGCYBHYPBRCPH-JTQLQIEISA-N 1 3 180.295 1.413 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 863547250 583311436 /nfs/dbraw/zinc/31/14/36/583311436.db2.gz QTJUQZFVKXZNRW-QCNOEVLYSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)CC[NH2+][C@H]1CCNC12CCC2 863642951 583312162 /nfs/dbraw/zinc/31/21/62/583312162.db2.gz DUYLRMYZQFLYNB-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)CC[NH2+][C@@H]1CCNC12CCC2 863642950 583312359 /nfs/dbraw/zinc/31/23/59/583312359.db2.gz DUYLRMYZQFLYNB-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCCCCN1CCC[C@H]1C[NH3+] 20519816 583381702 /nfs/dbraw/zinc/38/17/02/583381702.db2.gz ZUKKYYUPKNWVFZ-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CCCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 879570572 583419800 /nfs/dbraw/zinc/41/98/00/583419800.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879570572 583419801 /nfs/dbraw/zinc/41/98/01/583419801.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 879570572 583419804 /nfs/dbraw/zinc/41/98/04/583419804.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 879570572 583419807 /nfs/dbraw/zinc/41/98/07/583419807.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879570571 583419911 /nfs/dbraw/zinc/41/99/11/583419911.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 879570571 583419912 /nfs/dbraw/zinc/41/99/12/583419912.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 879570571 583419914 /nfs/dbraw/zinc/41/99/14/583419914.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 879570571 583419915 /nfs/dbraw/zinc/41/99/15/583419915.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879570573 583420417 /nfs/dbraw/zinc/42/04/17/583420417.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879570573 583420418 /nfs/dbraw/zinc/42/04/18/583420418.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 879570573 583420419 /nfs/dbraw/zinc/42/04/19/583420419.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 879570573 583420420 /nfs/dbraw/zinc/42/04/20/583420420.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879570570 583420552 /nfs/dbraw/zinc/42/05/52/583420552.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO CCCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879570570 583420555 /nfs/dbraw/zinc/42/05/55/583420555.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 879570570 583420557 /nfs/dbraw/zinc/42/05/57/583420557.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO CCC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 879570570 583420560 /nfs/dbraw/zinc/42/05/60/583420560.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO C1C[NH2+]C[C@]2(C1)CCCN2CC1CC1 211348744 583440413 /nfs/dbraw/zinc/44/04/13/583440413.db2.gz FDBUPWRAVLQADR-LBPRGKRZSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@]2(C1)CCC[N@H+]2CC1CC1 211348744 583440414 /nfs/dbraw/zinc/44/04/14/583440414.db2.gz FDBUPWRAVLQADR-LBPRGKRZSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@]2(C1)CCC[N@@H+]2CC1CC1 211348744 583440416 /nfs/dbraw/zinc/44/04/16/583440416.db2.gz FDBUPWRAVLQADR-LBPRGKRZSA-N 1 3 194.322 1.614 10 0 ADAEHO N[C@H]1CC[NH2+]C[C@@H]1c1cccs1 211438517 583440749 /nfs/dbraw/zinc/44/07/49/583440749.db2.gz VNIWRGNKZLXTET-YUMQZZPRSA-N 1 3 182.292 1.152 10 0 ADAEHO [NH3+][C@H]1CCNC[C@@H]1c1cccs1 211438517 583440752 /nfs/dbraw/zinc/44/07/52/583440752.db2.gz VNIWRGNKZLXTET-YUMQZZPRSA-N 1 3 182.292 1.152 10 0 ADAEHO CCC[N@@H+]1CC[C@]2(CCCNC2)C1 211343178 583440792 /nfs/dbraw/zinc/44/07/92/583440792.db2.gz OUXUDRNBZCWWEA-NSHDSACASA-N 1 3 182.311 1.472 10 0 ADAEHO CCC[N@H+]1CC[C@]2(CCCNC2)C1 211343178 583440796 /nfs/dbraw/zinc/44/07/96/583440796.db2.gz OUXUDRNBZCWWEA-NSHDSACASA-N 1 3 182.311 1.472 10 0 ADAEHO CCCN1CC[C@]2(CCC[NH2+]C2)C1 211343178 583440799 /nfs/dbraw/zinc/44/07/99/583440799.db2.gz OUXUDRNBZCWWEA-NSHDSACASA-N 1 3 182.311 1.472 10 0 ADAEHO N[C@@H]1CC[NH2+]C[C@H]1c1cccs1 211438583 583440880 /nfs/dbraw/zinc/44/08/80/583440880.db2.gz VNIWRGNKZLXTET-HTQZYQBOSA-N 1 3 182.292 1.152 10 0 ADAEHO [NH3+][C@@H]1CCNC[C@H]1c1cccs1 211438583 583440882 /nfs/dbraw/zinc/44/08/82/583440882.db2.gz VNIWRGNKZLXTET-HTQZYQBOSA-N 1 3 182.292 1.152 10 0 ADAEHO CC(C)[N@@H+]1CC[C@]2(CCCNC2)C1 211355962 583440890 /nfs/dbraw/zinc/44/08/90/583440890.db2.gz TWHVVWYNHUUNAT-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[N@H+]1CC[C@]2(CCCNC2)C1 211355962 583440892 /nfs/dbraw/zinc/44/08/92/583440892.db2.gz TWHVVWYNHUUNAT-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)N1CC[C@]2(CCC[NH2+]C2)C1 211355962 583440893 /nfs/dbraw/zinc/44/08/93/583440893.db2.gz TWHVVWYNHUUNAT-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO N[C@H]1CC[NH2+]C[C@H]1c1cccs1 211438437 583440950 /nfs/dbraw/zinc/44/09/50/583440950.db2.gz VNIWRGNKZLXTET-SFYZADRCSA-N 1 3 182.292 1.152 10 0 ADAEHO [NH3+][C@H]1CCNC[C@H]1c1cccs1 211438437 583440952 /nfs/dbraw/zinc/44/09/52/583440952.db2.gz VNIWRGNKZLXTET-SFYZADRCSA-N 1 3 182.292 1.152 10 0 ADAEHO N[C@@H]1CC[NH2+]C[C@@H]1c1cccs1 211438656 583441005 /nfs/dbraw/zinc/44/10/05/583441005.db2.gz VNIWRGNKZLXTET-JGVFFNPUSA-N 1 3 182.292 1.152 10 0 ADAEHO [NH3+][C@@H]1CCNC[C@@H]1c1cccs1 211438656 583441006 /nfs/dbraw/zinc/44/10/06/583441006.db2.gz VNIWRGNKZLXTET-JGVFFNPUSA-N 1 3 182.292 1.152 10 0 ADAEHO CCC[N@@H+]1CC[C@@]2(CCCNC2)C1 211343247 583441079 /nfs/dbraw/zinc/44/10/79/583441079.db2.gz OUXUDRNBZCWWEA-LLVKDONJSA-N 1 3 182.311 1.472 10 0 ADAEHO CCC[N@H+]1CC[C@@]2(CCCNC2)C1 211343247 583441082 /nfs/dbraw/zinc/44/10/82/583441082.db2.gz OUXUDRNBZCWWEA-LLVKDONJSA-N 1 3 182.311 1.472 10 0 ADAEHO CCCN1CC[C@@]2(CCC[NH2+]C2)C1 211343247 583441086 /nfs/dbraw/zinc/44/10/86/583441086.db2.gz OUXUDRNBZCWWEA-LLVKDONJSA-N 1 3 182.311 1.472 10 0 ADAEHO [NH3+]C[C@H]1CCCN[C@@H]1c1cccs1 212756841 583455644 /nfs/dbraw/zinc/45/56/44/583455644.db2.gz DHUYPRDDZQVKBI-SCZZXKLOSA-N 1 3 196.319 1.748 10 0 ADAEHO CC(C)C[C@@H]1CC[C@H](CN)C[NH2+]1 212914341 583455674 /nfs/dbraw/zinc/45/56/74/583455674.db2.gz KAHONGKBQFADMJ-ZJUUUORDSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H]1CC[C@@H](CN)C[NH2+]1 212914531 583455759 /nfs/dbraw/zinc/45/57/59/583455759.db2.gz KAHONGKBQFADMJ-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H]1[NH2+]CCC[C@@H]1CN 212913888 583455830 /nfs/dbraw/zinc/45/58/30/583455830.db2.gz GTAUYEOUMTYAHF-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@@H]1CC[C@@H](CN)C[NH2+]1 212914469 583455868 /nfs/dbraw/zinc/45/58/68/583455868.db2.gz KAHONGKBQFADMJ-UWVGGRQHSA-N 1 3 170.300 1.359 10 0 ADAEHO [NH3+]C[C@H]1CCCN[C@@H]1c1ccccc1 212819347 583456062 /nfs/dbraw/zinc/45/60/62/583456062.db2.gz KGADWCLCIUCNGS-VXGBXAGGSA-N 1 3 190.290 1.686 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H](c2cccs2)NC1 212757291 583456156 /nfs/dbraw/zinc/45/61/56/583456156.db2.gz HLPNYWWOADILJP-BDAKNGLRSA-N 1 3 196.319 1.748 10 0 ADAEHO CC(C)C[C@H]1CC[C@H](CN)C[NH2+]1 212914404 583456180 /nfs/dbraw/zinc/45/61/80/583456180.db2.gz KAHONGKBQFADMJ-NXEZZACHSA-N 1 3 170.300 1.359 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H](c2cccs2)NC1 212757352 583456214 /nfs/dbraw/zinc/45/62/14/583456214.db2.gz HLPNYWWOADILJP-RKDXNWHRSA-N 1 3 196.319 1.748 10 0 ADAEHO [NH3+]CC1CCN(C/C=C\Cl)CC1 217483449 583489170 /nfs/dbraw/zinc/48/91/70/583489170.db2.gz GGCSGIJTFXQDSQ-RJRFIUFISA-N 1 3 188.702 1.410 10 0 ADAEHO CC(C)(C)[C@@H]1C[C@H]1N1CCC([NH3+])CC1 886827065 583502305 /nfs/dbraw/zinc/50/23/05/583502305.db2.gz COTRXOXNJTUYTN-GHMZBOCLSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)(C)[C@@H]1C[C@H]1NCC1([NH3+])CCC1 886832095 583502526 /nfs/dbraw/zinc/50/25/26/583502526.db2.gz ANPCFTBFVUYWRQ-NXEZZACHSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1CC[C@@H](CN)C1 886827187 583502664 /nfs/dbraw/zinc/50/26/64/583502664.db2.gz GJNSJBFGQRIRMC-HBNTYKKESA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@@H](CN)C1 886827187 583502666 /nfs/dbraw/zinc/50/26/66/583502666.db2.gz GJNSJBFGQRIRMC-HBNTYKKESA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1CC[C@H](CN)C1 886827186 583502867 /nfs/dbraw/zinc/50/28/67/583502867.db2.gz GJNSJBFGQRIRMC-GMTAPVOTSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@H](CN)C1 886827186 583502869 /nfs/dbraw/zinc/50/28/69/583502869.db2.gz GJNSJBFGQRIRMC-GMTAPVOTSA-N 1 3 196.338 1.702 10 0 ADAEHO CCCN1CCCC[C@@]2(CC[NH2+]C2)C1 886865607 583503560 /nfs/dbraw/zinc/50/35/60/583503560.db2.gz PGPSDDTZCOHVCF-LBPRGKRZSA-N 1 3 196.338 1.862 10 0 ADAEHO CCCN1CCCC[C@]2(CC[NH2+]C2)C1 886865606 583503888 /nfs/dbraw/zinc/50/38/88/583503888.db2.gz PGPSDDTZCOHVCF-GFCCVEGCSA-N 1 3 196.338 1.862 10 0 ADAEHO CC(C)[NH2+]CCCNC1CC1 40407483 490014145 /nfs/dbraw/zinc/01/41/45/490014145.db2.gz GWCJCIAOQRSZCP-UHFFFAOYSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H]([NH3+])CCNCc1cccs1 40397638 490014252 /nfs/dbraw/zinc/01/42/52/490014252.db2.gz ZCYYSIUZYRVDDP-MRVPVSSYSA-N 1 3 184.308 1.575 10 0 ADAEHO C[C@H]([NH3+])CCNCc1cccs1 40397636 490014310 /nfs/dbraw/zinc/01/43/10/490014310.db2.gz ZCYYSIUZYRVDDP-QMMMGPOBSA-N 1 3 184.308 1.575 10 0 ADAEHO C[C@H]([NH3+])CCNCc1ccccc1 40409794 490014746 /nfs/dbraw/zinc/01/47/46/490014746.db2.gz UZOAKCPNZVTEIW-JTQLQIEISA-N 1 3 178.279 1.514 10 0 ADAEHO CC(C)CC[C@H]1CCCN1CC[NH3+] 75576758 490022681 /nfs/dbraw/zinc/02/26/81/490022681.db2.gz UMGVWTWFOXEHTO-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[C@@H]1CCCN1CC[NH3+] 75576756 490022696 /nfs/dbraw/zinc/02/26/96/490022696.db2.gz UMGVWTWFOXEHTO-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO Cc1ccsc1CNCC[C@H](C)[NH3+] 87309933 490025590 /nfs/dbraw/zinc/02/55/90/490025590.db2.gz XGQQXLUIJPHTGR-VIFPVBQESA-N 1 3 198.335 1.883 10 0 ADAEHO Cc1ccsc1CNCC[C@@H](C)[NH3+] 87309932 490025687 /nfs/dbraw/zinc/02/56/87/490025687.db2.gz XGQQXLUIJPHTGR-SECBINFHSA-N 1 3 198.335 1.883 10 0 ADAEHO CC1CC([NH2+]CC[C@@H](N)C(C)C)C1 123552787 490028040 /nfs/dbraw/zinc/02/80/40/490028040.db2.gz SGRBRRICFOZGET-VQXHTEKXSA-N 1 3 184.327 1.748 10 0 ADAEHO CC1CC(NCC[C@@H]([NH3+])C(C)C)C1 123552787 490028042 /nfs/dbraw/zinc/02/80/42/490028042.db2.gz SGRBRRICFOZGET-VQXHTEKXSA-N 1 3 184.327 1.748 10 0 ADAEHO CC1CC([NH2+]CC[C@@H](C)N)C1 123567612 490028674 /nfs/dbraw/zinc/02/86/74/490028674.db2.gz MOCJTHLJROUGKF-QJAFJHJLSA-N 1 3 156.273 1.112 10 0 ADAEHO CC1CC(NCC[C@@H](C)[NH3+])C1 123567612 490028677 /nfs/dbraw/zinc/02/86/77/490028677.db2.gz MOCJTHLJROUGKF-QJAFJHJLSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CCC1 123988691 490029466 /nfs/dbraw/zinc/02/94/66/490029466.db2.gz QMKAWUDBAFIEIT-WCQGTBRESA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CCC1 123988292 490029538 /nfs/dbraw/zinc/02/95/38/490029538.db2.gz QMKAWUDBAFIEIT-MVWJERBFSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)C[C@@H](N)C[N@H+](C)C1CCC1 127520789 490043067 /nfs/dbraw/zinc/04/30/67/490043067.db2.gz YJXRVDVTEJHLFD-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@@H](N)C[N@@H+](C)C1CCC1 127520789 490043069 /nfs/dbraw/zinc/04/30/69/490043069.db2.gz YJXRVDVTEJHLFD-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@H](N)C[N@H+](C)C1CCC1 127520541 490043399 /nfs/dbraw/zinc/04/33/99/490043399.db2.gz YJXRVDVTEJHLFD-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[C@H](N)C[N@@H+](C)C1CCC1 127520541 490043402 /nfs/dbraw/zinc/04/34/02/490043402.db2.gz YJXRVDVTEJHLFD-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@@H](N)C(C)C 129263605 490049081 /nfs/dbraw/zinc/04/90/81/490049081.db2.gz OWIZYKKFIOGIIK-WDEREUQCSA-N 1 3 186.343 1.996 10 0 ADAEHO CC[C@H](C)[NH2+]CC[C@@H](N)C(C)C 129222115 490049102 /nfs/dbraw/zinc/04/91/02/490049102.db2.gz GHAIRNQICCMGFZ-VHSXEESVSA-N 1 3 172.316 1.748 10 0 ADAEHO CC(C)[NH2+]CC[C@@H](N)C(C)C 129220594 490049244 /nfs/dbraw/zinc/04/92/44/490049244.db2.gz NDZMCUSJONTQJF-SECBINFHSA-N 1 3 158.289 1.358 10 0 ADAEHO CC(C)NCC[C@@H]([NH3+])C(C)C 129220594 490049249 /nfs/dbraw/zinc/04/92/49/490049249.db2.gz NDZMCUSJONTQJF-SECBINFHSA-N 1 3 158.289 1.358 10 0 ADAEHO CC(C)C[NH2+]CC[C@@H](N)C(C)C 129222949 490049355 /nfs/dbraw/zinc/04/93/55/490049355.db2.gz MCNWIBBZANCIBZ-SNVBAGLBSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C1CCCC1 129223201 490049376 /nfs/dbraw/zinc/04/93/76/490049376.db2.gz ASVPYARKRMPCBZ-LLVKDONJSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]CC(C)(C)C 129226806 490049423 /nfs/dbraw/zinc/04/94/23/490049423.db2.gz DOCYPWUCKDIWSK-SNVBAGLBSA-N 1 3 186.343 1.996 10 0 ADAEHO CC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C 129221928 490049521 /nfs/dbraw/zinc/04/95/21/490049521.db2.gz GHAIRNQICCMGFZ-NXEZZACHSA-N 1 3 172.316 1.748 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]CC1CC1 129224129 490049585 /nfs/dbraw/zinc/04/95/85/490049585.db2.gz YJIIUJROCJBBSC-SNVBAGLBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC[C@@H](N)C(C)C 129263372 490049596 /nfs/dbraw/zinc/04/95/96/490049596.db2.gz OWIZYKKFIOGIIK-GHMZBOCLSA-N 1 3 186.343 1.996 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C)C1 129413865 490050725 /nfs/dbraw/zinc/05/07/25/490050725.db2.gz RXJINFTXRJDYGO-OPRDCNLKSA-N 1 3 170.300 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CC[C@@H](C)C1 129413449 490050814 /nfs/dbraw/zinc/05/08/14/490050814.db2.gz RXJINFTXRJDYGO-BBBLOLIVSA-N 1 3 170.300 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CC[C@H](C)C1 129413638 490051229 /nfs/dbraw/zinc/05/12/29/490051229.db2.gz RXJINFTXRJDYGO-AEJSXWLSSA-N 1 3 170.300 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CC[C@H](C)C1 129414022 490051386 /nfs/dbraw/zinc/05/13/86/490051386.db2.gz RXJINFTXRJDYGO-IVZWLZJFSA-N 1 3 170.300 1.373 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CCC(C)(C)C1 129545228 490051957 /nfs/dbraw/zinc/05/19/57/490051957.db2.gz IAKACOKIHSLGHP-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H]1CCC(C)(C)C1 129506360 490052238 /nfs/dbraw/zinc/05/22/38/490052238.db2.gz KNTACOFNYNMBOC-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H]1CCC(C)(C)C1 129545424 490052268 /nfs/dbraw/zinc/05/22/68/490052268.db2.gz IAKACOKIHSLGHP-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CCC(C)(C)C1 129545647 490052382 /nfs/dbraw/zinc/05/23/82/490052382.db2.gz IAKACOKIHSLGHP-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@@H]1CCC(C)(C)C1 129544987 490052466 /nfs/dbraw/zinc/05/24/66/490052466.db2.gz IAKACOKIHSLGHP-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H]1CCC(C)(C)C1 129505931 490052488 /nfs/dbraw/zinc/05/24/88/490052488.db2.gz KNTACOFNYNMBOC-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN1C[C@H](C)[C@@H](C)C1 219845456 490073382 /nfs/dbraw/zinc/07/33/82/490073382.db2.gz LKQVSXGGWNORIN-SRVKXCTJSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)C[C@H]([NH3+])CN1C[C@@H](C)[C@@H](C)C1 219845409 490073721 /nfs/dbraw/zinc/07/37/21/490073721.db2.gz LKQVSXGGWNORIN-TUAOUCFPSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN 221971856 490080531 /nfs/dbraw/zinc/08/05/31/490080531.db2.gz ZYKWLMYIFYEJJI-VWYCJHECSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCN)C1 221971984 490080608 /nfs/dbraw/zinc/08/06/08/490080608.db2.gz LNFYZTYDIPXACW-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CCCN 221971751 490080723 /nfs/dbraw/zinc/08/07/23/490080723.db2.gz ZYKWLMYIFYEJJI-OUAUKWLOSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN 221972090 490080731 /nfs/dbraw/zinc/08/07/31/490080731.db2.gz LNFYZTYDIPXACW-VWYCJHECSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 238261366 490085974 /nfs/dbraw/zinc/08/59/74/490085974.db2.gz BNHRPTVTSKOSSJ-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@H+]1CCC[C@H]2CNCC[C@@H]21 238261366 490085979 /nfs/dbraw/zinc/08/59/79/490085979.db2.gz BNHRPTVTSKOSSJ-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 238260163 490086092 /nfs/dbraw/zinc/08/60/92/490086092.db2.gz BNHRPTVTSKOSSJ-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 238260163 490086098 /nfs/dbraw/zinc/08/60/98/490086098.db2.gz BNHRPTVTSKOSSJ-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 306206842 490116146 /nfs/dbraw/zinc/11/61/46/490116146.db2.gz CMBJDVXTRATHJJ-WISYIIOYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 306206820 490116418 /nfs/dbraw/zinc/11/64/18/490116418.db2.gz CMBJDVXTRATHJJ-NOOOWODRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 306206838 490116434 /nfs/dbraw/zinc/11/64/34/490116434.db2.gz CMBJDVXTRATHJJ-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCC1 307056101 490129651 /nfs/dbraw/zinc/12/96/51/490129651.db2.gz BIHJMCUJDKEKKB-FOGDFJRCSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCC1 307056103 490129695 /nfs/dbraw/zinc/12/96/95/490129695.db2.gz BIHJMCUJDKEKKB-SCVCMEIPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCC1 307056102 490129886 /nfs/dbraw/zinc/12/98/86/490129886.db2.gz BIHJMCUJDKEKKB-JFGNBEQYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCC1 307056100 490129923 /nfs/dbraw/zinc/12/99/23/490129923.db2.gz BIHJMCUJDKEKKB-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CC2(CCC2)C[N@@H+]1CCCN 334820567 490134232 /nfs/dbraw/zinc/13/42/32/490134232.db2.gz ZOPCRKABRNUCFA-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1CC2(CCC2)C[N@H+]1CCCN 334820567 490134238 /nfs/dbraw/zinc/13/42/38/490134238.db2.gz ZOPCRKABRNUCFA-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CC2(CCC2)C[N@@H+]1CCCN 334820569 490134300 /nfs/dbraw/zinc/13/43/00/490134300.db2.gz ZOPCRKABRNUCFA-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CC2(CCC2)C[N@H+]1CCCN 334820569 490134309 /nfs/dbraw/zinc/13/43/09/490134309.db2.gz ZOPCRKABRNUCFA-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1CC[N@H+](CCCNC2CC2)[C@H]1C 380654111 697912503 /nfs/dbraw/zinc/91/25/03/697912503.db2.gz BNSIPURTOINIHL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCNC2CC2)[C@H]1C 380654111 697912504 /nfs/dbraw/zinc/91/25/04/697912504.db2.gz BNSIPURTOINIHL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](CN)C1 20523448 491021057 /nfs/dbraw/zinc/02/10/57/491021057.db2.gz WNGVMWLXARPKIK-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](CN)C1 20523448 491021058 /nfs/dbraw/zinc/02/10/58/491021058.db2.gz WNGVMWLXARPKIK-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CC[C@@H](CN)C1 20523447 491021062 /nfs/dbraw/zinc/02/10/62/491021062.db2.gz WNGVMWLXARPKIK-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CC[C@@H](CN)C1 20523447 491021063 /nfs/dbraw/zinc/02/10/63/491021063.db2.gz WNGVMWLXARPKIK-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H](C)[NH+]1CCC(N)CC1 20521518 491021066 /nfs/dbraw/zinc/02/10/66/491021066.db2.gz GUBKRCNHCZNRRJ-VIFPVBQESA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H](C)N1CCC([NH3+])CC1 20521518 491021067 /nfs/dbraw/zinc/02/10/67/491021067.db2.gz GUBKRCNHCZNRRJ-VIFPVBQESA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@H](C)[NH+]1CCC(N)CC1 20521517 491021080 /nfs/dbraw/zinc/02/10/80/491021080.db2.gz GUBKRCNHCZNRRJ-SECBINFHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@H](C)N1CCC([NH3+])CC1 20521517 491021081 /nfs/dbraw/zinc/02/10/81/491021081.db2.gz GUBKRCNHCZNRRJ-SECBINFHSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 85282339 491027459 /nfs/dbraw/zinc/02/74/59/491027459.db2.gz BHJDTWDZQKZCAJ-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 85282341 491027484 /nfs/dbraw/zinc/02/74/84/491027484.db2.gz BHJDTWDZQKZCAJ-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO CCC[C@H](C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 85282283 491027580 /nfs/dbraw/zinc/02/75/80/491027580.db2.gz DVKYRRMXIRPPHB-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC[C@@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 85282338 491027627 /nfs/dbraw/zinc/02/76/27/491027627.db2.gz BHJDTWDZQKZCAJ-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC(CC)CNC[C@H](C)[NH2+]C 130428175 491033627 /nfs/dbraw/zinc/03/36/27/491033627.db2.gz RDHIVZFNXDNORF-VIFPVBQESA-N 1 3 172.316 1.620 10 0 ADAEHO CCC(CC)C[NH2+]CC[C@H](C)N 130431725 491033655 /nfs/dbraw/zinc/03/36/55/491033655.db2.gz NWFAWBJBRQLDNK-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO CCC(CC)CNC[C@@H](C)[NH2+]C 130427999 491033689 /nfs/dbraw/zinc/03/36/89/491033689.db2.gz RDHIVZFNXDNORF-SECBINFHSA-N 1 3 172.316 1.620 10 0 ADAEHO CCC(CC)C[NH2+]CC[C@@H](C)N 130431519 491033698 /nfs/dbraw/zinc/03/36/98/491033698.db2.gz NWFAWBJBRQLDNK-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO C[N@H+](CCC1CC1)C[C@@H]1CCCNC1 220386974 491040483 /nfs/dbraw/zinc/04/04/83/491040483.db2.gz HLJKLWPHJSWQBC-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[N@@H+](CCC1CC1)C[C@@H]1CCCNC1 220386974 491040484 /nfs/dbraw/zinc/04/04/84/491040484.db2.gz HLJKLWPHJSWQBC-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CN(CCC1CC1)C[C@@H]1CCC[NH2+]C1 220386974 491040485 /nfs/dbraw/zinc/04/04/85/491040485.db2.gz HLJKLWPHJSWQBC-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C1CNCC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306974012 491057221 /nfs/dbraw/zinc/05/72/21/491057221.db2.gz WDISGJKHVSJIQS-USZNOCQGSA-N 1 3 194.322 1.517 10 0 ADAEHO C1CNCC[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306974013 491057301 /nfs/dbraw/zinc/05/73/01/491057301.db2.gz WDISGJKHVSJIQS-WRWGMCAJSA-N 1 3 194.322 1.517 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307298879 491060420 /nfs/dbraw/zinc/06/04/20/491060420.db2.gz ANEWKQKYQGANLE-HHHUOAJASA-N 1 3 194.322 1.502 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307298880 491060457 /nfs/dbraw/zinc/06/04/57/491060457.db2.gz ANEWKQKYQGANLE-SVNGYHJRSA-N 1 3 194.322 1.502 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 307343589 491060992 /nfs/dbraw/zinc/06/09/92/491060992.db2.gz IYPPEFHVHFPXME-VWYCJHECSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 307343587 491061013 /nfs/dbraw/zinc/06/10/13/491061013.db2.gz IYPPEFHVHFPXME-GARJFASQSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 307343588 491061015 /nfs/dbraw/zinc/06/10/15/491061015.db2.gz IYPPEFHVHFPXME-OUAUKWLOSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 307343586 491061043 /nfs/dbraw/zinc/06/10/43/491061043.db2.gz IYPPEFHVHFPXME-DCAQKATOSA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH+](C)C[C@H]1CCN(CCCF)C1 308222436 491085681 /nfs/dbraw/zinc/08/56/81/491085681.db2.gz DEMVDLRMZCVDNF-SNVBAGLBSA-N 1 3 188.290 1.230 10 0 ADAEHO C[NH+](C)C[C@@H]1CCN(CCCF)C1 308222435 491085715 /nfs/dbraw/zinc/08/57/15/491085715.db2.gz DEMVDLRMZCVDNF-JTQLQIEISA-N 1 3 188.290 1.230 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CC2(C)CC2)C1 308509098 491109383 /nfs/dbraw/zinc/10/93/83/491109383.db2.gz KAOLMNNQNKQNBP-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CC2(C)CC2)C1 308509097 491109184 /nfs/dbraw/zinc/10/91/84/491109184.db2.gz KAOLMNNQNKQNBP-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CCN1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 308527843 491110358 /nfs/dbraw/zinc/11/03/58/491110358.db2.gz RAJGHJLSZGEOJI-IJLUTSLNSA-N 1 3 196.338 1.574 10 0 ADAEHO CCN1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 308527846 491110420 /nfs/dbraw/zinc/11/04/20/491110420.db2.gz RAJGHJLSZGEOJI-UTUOFQBUSA-N 1 3 196.338 1.574 10 0 ADAEHO CCN1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 308527844 491110424 /nfs/dbraw/zinc/11/04/24/491110424.db2.gz RAJGHJLSZGEOJI-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO CCN1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 308527845 491110444 /nfs/dbraw/zinc/11/04/44/491110444.db2.gz RAJGHJLSZGEOJI-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO C[N@H+]1CC=C(CNCC2(F)CC2)CC1 308556296 491111535 /nfs/dbraw/zinc/11/15/35/491111535.db2.gz ZMHCDENGRZQKBQ-UHFFFAOYSA-N 1 3 198.285 1.340 10 0 ADAEHO C[N@@H+]1CC=C(CNCC2(F)CC2)CC1 308556296 491111536 /nfs/dbraw/zinc/11/15/36/491111536.db2.gz ZMHCDENGRZQKBQ-UHFFFAOYSA-N 1 3 198.285 1.340 10 0 ADAEHO CC/C=C/CCN1C[C@@H]2C[NH2+]C[C@H]2C1 308582823 491112683 /nfs/dbraw/zinc/11/26/83/491112683.db2.gz HHSPLNXPTDPTLU-QSKOYVBTSA-N 1 3 194.322 1.494 10 0 ADAEHO CC/C=C\CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 308582826 491112857 /nfs/dbraw/zinc/11/28/57/491112857.db2.gz HHSPLNXPTDPTLU-XVGAQQEPSA-N 1 3 194.322 1.494 10 0 ADAEHO CC/C=C/CCN1C[C@@H]2C[NH2+]C[C@@H]2C1 308582824 491112862 /nfs/dbraw/zinc/11/28/62/491112862.db2.gz HHSPLNXPTDPTLU-ROUHBEFFSA-N 1 3 194.322 1.494 10 0 ADAEHO CC/C=C\CCN1C[C@@H]2C[NH2+]C[C@H]2C1 308582825 491113007 /nfs/dbraw/zinc/11/30/07/491113007.db2.gz HHSPLNXPTDPTLU-WGPFEIJOSA-N 1 3 194.322 1.494 10 0 ADAEHO CN(CCC1CC1)C[C@@]1(C)CC[NH2+]C1 389303502 491119547 /nfs/dbraw/zinc/11/95/47/491119547.db2.gz MWQMUABGDZQVCY-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CN(CCC1CC1)C[C@]1(C)CC[NH2+]C1 389303500 491119582 /nfs/dbraw/zinc/11/95/82/491119582.db2.gz MWQMUABGDZQVCY-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H](CN)C[N@H+](C)C1CCCCC1 11822393 1188765950 /nfs/dbraw/zinc/76/59/50/1188765950.db2.gz OEDMCXIEMZOSHH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)C1CCCCC1 11822393 1188765951 /nfs/dbraw/zinc/76/59/51/1188765951.db2.gz OEDMCXIEMZOSHH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]C(C)(C)C)CCN1 73657400 1188774473 /nfs/dbraw/zinc/77/44/73/1188774473.db2.gz LZMNUBJRPHFBBW-DTWKUNHWSA-N 1 3 170.300 1.515 10 0 ADAEHO CC(C)[NH2+][C@H]1CCN[C@H](C)C1 73657391 1188774492 /nfs/dbraw/zinc/77/44/92/1188774492.db2.gz ZHICUFZXGLQRJM-BDAKNGLRSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C(C)(C)C)CCN1 73657402 1188774835 /nfs/dbraw/zinc/77/48/35/1188774835.db2.gz LZMNUBJRPHFBBW-IUCAKERBSA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)CCN1 73657401 1188775538 /nfs/dbraw/zinc/77/55/38/1188775538.db2.gz LZMNUBJRPHFBBW-BDAKNGLRSA-N 1 3 170.300 1.515 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](C2CCCC2)C1 215781938 1188785840 /nfs/dbraw/zinc/78/58/40/1188785840.db2.gz IZPPPLUTLYVXQG-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](C2CCCC2)C1 215781938 1188785843 /nfs/dbraw/zinc/78/58/43/1188785843.db2.gz IZPPPLUTLYVXQG-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C)C[C@@H]([NH2+]C2CC(N)C2)CCO1 215573578 1188785912 /nfs/dbraw/zinc/78/59/12/1188785912.db2.gz XPXIVAFUSKLGGK-KYHHOPLUSA-N 1 3 198.310 1.023 10 0 ADAEHO CC1(C)C[C@H]([NH2+]C2CC(N)C2)CCO1 215573536 1188786014 /nfs/dbraw/zinc/78/60/14/1188786014.db2.gz XPXIVAFUSKLGGK-HWOCKDDLSA-N 1 3 198.310 1.023 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](C2CCCC2)C1 215781886 1188786048 /nfs/dbraw/zinc/78/60/48/1188786048.db2.gz IZPPPLUTLYVXQG-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CCCC[N@H+](C2CCCC2)C1 215781886 1188786050 /nfs/dbraw/zinc/78/60/50/1188786050.db2.gz IZPPPLUTLYVXQG-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@H]1CCC[N@H+](CC2CCCC2)CC1 215787412 1188786226 /nfs/dbraw/zinc/78/62/26/1188786226.db2.gz GUSCSRRGULGCPJ-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 215787412 1188786229 /nfs/dbraw/zinc/78/62/29/1188786229.db2.gz GUSCSRRGULGCPJ-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@@H]1CCC[N@H+](CC2CCCC2)CC1 215787454 1188786237 /nfs/dbraw/zinc/78/62/37/1188786237.db2.gz GUSCSRRGULGCPJ-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 215787454 1188786239 /nfs/dbraw/zinc/78/62/39/1188786239.db2.gz GUSCSRRGULGCPJ-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO CSCC[C@@H](C)[NH2+]C1CC(N)C1 228880486 1188789947 /nfs/dbraw/zinc/78/99/47/1188789947.db2.gz BATPSHAXNXYCGK-AFPNSQJFSA-N 1 3 188.340 1.207 10 0 ADAEHO CSCC[C@@H](C)NC1CC([NH3+])C1 228880486 1188789949 /nfs/dbraw/zinc/78/99/49/1188789949.db2.gz BATPSHAXNXYCGK-AFPNSQJFSA-N 1 3 188.340 1.207 10 0 ADAEHO CSCC[C@H](C)[NH2+]C1CC(N)C1 228880495 1188790160 /nfs/dbraw/zinc/79/01/60/1188790160.db2.gz BATPSHAXNXYCGK-UEJVZZJDSA-N 1 3 188.340 1.207 10 0 ADAEHO CSCC[C@H](C)NC1CC([NH3+])C1 228880495 1188790162 /nfs/dbraw/zinc/79/01/62/1188790162.db2.gz BATPSHAXNXYCGK-UEJVZZJDSA-N 1 3 188.340 1.207 10 0 ADAEHO C1CC(CCN[C@@H]2CCC[NH2+]C2)C1 229081203 1188790850 /nfs/dbraw/zinc/79/08/50/1188790850.db2.gz QWXRINGLVRHWPI-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO C1CC(CCN[C@H]2CCC[NH2+]C2)C1 229081216 1188790997 /nfs/dbraw/zinc/79/09/97/1188790997.db2.gz QWXRINGLVRHWPI-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 306293449 1188797658 /nfs/dbraw/zinc/79/76/58/1188797658.db2.gz WTBDSSYTTJOKCP-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 306293449 1188797661 /nfs/dbraw/zinc/79/76/61/1188797661.db2.gz WTBDSSYTTJOKCP-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CCC[C@H](N)CC1 306293451 1188797715 /nfs/dbraw/zinc/79/77/15/1188797715.db2.gz WTBDSSYTTJOKCP-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H](C)[N@H+]1CCC[C@H](N)CC1 306293451 1188797719 /nfs/dbraw/zinc/79/77/19/1188797719.db2.gz WTBDSSYTTJOKCP-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 306293450 1188797736 /nfs/dbraw/zinc/79/77/36/1188797736.db2.gz WTBDSSYTTJOKCP-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CCC[C@H](N)CC1 306293450 1188797739 /nfs/dbraw/zinc/79/77/39/1188797739.db2.gz WTBDSSYTTJOKCP-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 306293452 1188797816 /nfs/dbraw/zinc/79/78/16/1188797816.db2.gz WTBDSSYTTJOKCP-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H](C)[N@H+]1CCC[C@@H](N)CC1 306293452 1188797818 /nfs/dbraw/zinc/79/78/18/1188797818.db2.gz WTBDSSYTTJOKCP-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 307043261 1188804267 /nfs/dbraw/zinc/80/42/67/1188804267.db2.gz USJLAFOTCYDPCZ-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 307043261 1188804272 /nfs/dbraw/zinc/80/42/72/1188804272.db2.gz USJLAFOTCYDPCZ-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCC[C@H](CN)C1 307043262 1188804492 /nfs/dbraw/zinc/80/44/92/1188804492.db2.gz USJLAFOTCYDPCZ-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCC[C@H](CN)C1 307043262 1188804496 /nfs/dbraw/zinc/80/44/96/1188804496.db2.gz USJLAFOTCYDPCZ-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 307043258 1188804731 /nfs/dbraw/zinc/80/47/31/1188804731.db2.gz USJLAFOTCYDPCZ-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 307043258 1188804735 /nfs/dbraw/zinc/80/47/35/1188804735.db2.gz USJLAFOTCYDPCZ-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 307043259 1188804761 /nfs/dbraw/zinc/80/47/61/1188804761.db2.gz USJLAFOTCYDPCZ-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 307043259 1188804765 /nfs/dbraw/zinc/80/47/65/1188804765.db2.gz USJLAFOTCYDPCZ-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[C@H](CC)N1CC[C@@H]([NH3+])C1 379333909 1188815972 /nfs/dbraw/zinc/81/59/72/1188815972.db2.gz QCCPPARPYKEDMX-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H](CC)N1CC[C@@H]([NH3+])C1 379333908 1188816759 /nfs/dbraw/zinc/81/67/59/1188816759.db2.gz QCCPPARPYKEDMX-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCN(C)C[C@@H]1CCCC[NH2+]C1 211415406 697682799 /nfs/dbraw/zinc/68/27/99/697682799.db2.gz ZWSYLLLPFDLGIU-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H](c2cccs2)NC1 212757473 697683187 /nfs/dbraw/zinc/68/31/87/697683187.db2.gz HLPNYWWOADILJP-DTWKUNHWSA-N 1 3 196.319 1.748 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H](c2cccs2)NC1 212757408 697683209 /nfs/dbraw/zinc/68/32/09/697683209.db2.gz HLPNYWWOADILJP-IUCAKERBSA-N 1 3 196.319 1.748 10 0 ADAEHO C1CC(CC[NH2+]C2CCNCC2)C1 229082834 697700616 /nfs/dbraw/zinc/70/06/16/697700616.db2.gz SBDOFKFRXUEOEL-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO [NH3+]C[C@H]1CNC[C@H](c2ccccc2)C1 238574294 697708703 /nfs/dbraw/zinc/70/87/03/697708703.db2.gz UCIHGGPTURXIQR-CMPLNLGQSA-N 1 3 190.290 1.338 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 238574294 697708706 /nfs/dbraw/zinc/70/87/06/697708706.db2.gz UCIHGGPTURXIQR-CMPLNLGQSA-N 1 3 190.290 1.338 10 0 ADAEHO [NH3+]C[C@H]1CNC[C@@H](c2ccccc2)C1 238574272 697708844 /nfs/dbraw/zinc/70/88/44/697708844.db2.gz UCIHGGPTURXIQR-JQWIXIFHSA-N 1 3 190.290 1.338 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 238574272 697708847 /nfs/dbraw/zinc/70/88/47/697708847.db2.gz UCIHGGPTURXIQR-JQWIXIFHSA-N 1 3 190.290 1.338 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 319431900 697777161 /nfs/dbraw/zinc/77/71/61/697777161.db2.gz QBLBHZQLDURHMK-ZRUFSTJUSA-N 1 3 184.327 1.619 10 0 ADAEHO C[C@H]1C[C@@H](C)CC[N@H+](CCCN)C1 334865521 697780328 /nfs/dbraw/zinc/78/03/28/697780328.db2.gz UTEZLSMTTOSFPB-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1C[C@@H](C)CC[N@@H+](CCCN)C1 334865521 697780330 /nfs/dbraw/zinc/78/03/30/697780330.db2.gz UTEZLSMTTOSFPB-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1CCCNC1CC1 380654105 697912532 /nfs/dbraw/zinc/91/25/32/697912532.db2.gz BNSIPURTOINIHL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1CCCNC1CC1 380654105 697912530 /nfs/dbraw/zinc/91/25/30/697912530.db2.gz BNSIPURTOINIHL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+](CCCNC2CC2)[C@@H]1C 380654099 697912462 /nfs/dbraw/zinc/91/24/62/697912462.db2.gz BNSIPURTOINIHL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCCNC2CC2)[C@@H]1C 380654099 697912464 /nfs/dbraw/zinc/91/24/64/697912464.db2.gz BNSIPURTOINIHL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@H+](CCCNC2CC2)[C@@H]1C 380654116 697912514 /nfs/dbraw/zinc/91/25/14/697912514.db2.gz BNSIPURTOINIHL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCNC2CC2)[C@@H]1C 380654116 697912515 /nfs/dbraw/zinc/91/25/15/697912515.db2.gz BNSIPURTOINIHL-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C/C=C\C[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 384989319 697932716 /nfs/dbraw/zinc/93/27/16/697932716.db2.gz KKICZHYCEQKVHS-LCNZBXASSA-N 1 3 194.322 1.777 10 0 ADAEHO C/C=C\CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C 384989319 697932719 /nfs/dbraw/zinc/93/27/19/697932719.db2.gz KKICZHYCEQKVHS-LCNZBXASSA-N 1 3 194.322 1.777 10 0 ADAEHO C/C=C\CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C 384989319 697932722 /nfs/dbraw/zinc/93/27/22/697932722.db2.gz KKICZHYCEQKVHS-LCNZBXASSA-N 1 3 194.322 1.777 10 0 ADAEHO CC[C@@H]1C[C@H]1CN1CCC([NH2+]C)CC1 387762875 697939297 /nfs/dbraw/zinc/93/92/97/697939297.db2.gz AWCZNQWFQOQYTM-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CN)C1 708174201 698057109 /nfs/dbraw/zinc/05/71/09/698057109.db2.gz SKIYOIVQQRQUKH-GMTAPVOTSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CN)C1 708174201 698057117 /nfs/dbraw/zinc/05/71/17/698057117.db2.gz SKIYOIVQQRQUKH-GMTAPVOTSA-N 1 3 184.327 1.559 10 0 ADAEHO C1=CCCC(C[NH2+][C@H]2CCNC2)CC1 718135697 698066019 /nfs/dbraw/zinc/06/60/19/698066019.db2.gz XUKKUQQMRNQPCN-LBPRGKRZSA-N 1 3 194.322 1.684 10 0 ADAEHO C1=CCCC(C[NH2+][C@@H]2CCNC2)CC1 718135694 698066088 /nfs/dbraw/zinc/06/60/88/698066088.db2.gz XUKKUQQMRNQPCN-GFCCVEGCSA-N 1 3 194.322 1.684 10 0 ADAEHO CCC[C@H](C)[NH2+][C@H]1CNCC1(C)C 720769945 698067163 /nfs/dbraw/zinc/06/71/63/698067163.db2.gz WOXYRLMTXVIWJM-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1C[C@H]([NH3+])C(C)(C)C1 720773787 698067253 /nfs/dbraw/zinc/06/72/53/698067253.db2.gz HUVFKTBIFJQHSQ-BBBLOLIVSA-N 1 3 182.311 1.312 10 0 ADAEHO CC1(C)CNC[C@H]1[NH2+]C1CCCCC1 720768498 698067267 /nfs/dbraw/zinc/06/72/67/698067267.db2.gz QPSWXDMMDTXCER-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@H]1CNCC1(C)C 720776463 698067428 /nfs/dbraw/zinc/06/74/28/698067428.db2.gz CJPMMGGPAHPANU-ZJUUUORDSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CNCC1(C)C 720769905 698067390 /nfs/dbraw/zinc/06/73/90/698067390.db2.gz VRWLSGGNWUSYGD-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@@H](C)[NH2+][C@H]1CNCC1(C)C 720769903 698067446 /nfs/dbraw/zinc/06/74/46/698067446.db2.gz VRWLSGGNWUSYGD-BDAKNGLRSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1C[C@@H]([NH3+])C(C)(C)C1 720773790 698067480 /nfs/dbraw/zinc/06/74/80/698067480.db2.gz HUVFKTBIFJQHSQ-OPRDCNLKSA-N 1 3 182.311 1.312 10 0 ADAEHO CC1(C)CNC[C@@H]1[NH2+]C1CCCCC1 720768500 698067606 /nfs/dbraw/zinc/06/76/06/698067606.db2.gz QPSWXDMMDTXCER-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H]1CN1C[C@H]([NH3+])C(C)(C)C1 720773792 698067625 /nfs/dbraw/zinc/06/76/25/698067625.db2.gz HUVFKTBIFJQHSQ-UTLUCORTSA-N 1 3 182.311 1.312 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@@H]1CNCC1(C)C 720769944 698067685 /nfs/dbraw/zinc/06/76/85/698067685.db2.gz WOXYRLMTXVIWJM-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H]1CNCC1(C)C 720776460 698067700 /nfs/dbraw/zinc/06/77/00/698067700.db2.gz CJPMMGGPAHPANU-NXEZZACHSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CNCC1(C)C 720776461 698067739 /nfs/dbraw/zinc/06/77/39/698067739.db2.gz CJPMMGGPAHPANU-UWVGGRQHSA-N 1 3 184.327 1.619 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@H]1CNCC1(C)C 720769947 698067776 /nfs/dbraw/zinc/06/77/76/698067776.db2.gz WOXYRLMTXVIWJM-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CNCC1(C)C 720769946 698067834 /nfs/dbraw/zinc/06/78/34/698067834.db2.gz WOXYRLMTXVIWJM-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CNCC1(C)C 720776462 698067846 /nfs/dbraw/zinc/06/78/46/698067846.db2.gz CJPMMGGPAHPANU-VHSXEESVSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@@H](C)[NH2+][C@@H]1CNCC1(C)C 720769906 698067868 /nfs/dbraw/zinc/06/78/68/698067868.db2.gz VRWLSGGNWUSYGD-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CNCC1(C)C 720769904 698067879 /nfs/dbraw/zinc/06/78/79/698067879.db2.gz VRWLSGGNWUSYGD-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1CN1C[C@@H]([NH3+])C(C)(C)C1 720773789 698067896 /nfs/dbraw/zinc/06/78/96/698067896.db2.gz HUVFKTBIFJQHSQ-KXUCPTDWSA-N 1 3 182.311 1.312 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 721882860 698069779 /nfs/dbraw/zinc/06/97/79/698069779.db2.gz PDJJQAPBATXKRY-GMTAPVOTSA-N 1 3 184.327 1.619 10 0 ADAEHO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C 721903766 698069821 /nfs/dbraw/zinc/06/98/21/698069821.db2.gz LPOJMRBNILGGDQ-IRCOFANPSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 721904631 698070327 /nfs/dbraw/zinc/07/03/27/698070327.db2.gz QBLBHZQLDURHMK-LNFKQOIKSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C)[C@H](CN)C1 723085555 698072278 /nfs/dbraw/zinc/07/22/78/698072278.db2.gz BZPUJIDGQFMGFR-WISYIIOYSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@H](CN)C1 723085555 698072282 /nfs/dbraw/zinc/07/22/82/698072282.db2.gz BZPUJIDGQFMGFR-WISYIIOYSA-N 1 3 196.338 1.559 10 0 ADAEHO CC[C@@H]1C[C@H]1CN1CC2CC1(C[NH3+])C2 723086276 698072605 /nfs/dbraw/zinc/07/26/05/698072605.db2.gz FTLBFGZMBXOBEN-UPOSSJBDSA-N 1 3 194.322 1.456 10 0 ADAEHO CC[C@@H]1C[C@H]1CN1CC[C@H]([NH3+])[C@@H]1C 723114708 698073474 /nfs/dbraw/zinc/07/34/74/698073474.db2.gz FUZWXITZROZGFG-VLEAKVRGSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]C(C1CC1)C1CC1 925784966 698175812 /nfs/dbraw/zinc/17/58/12/698175812.db2.gz UFGIXBZJIKHCRY-LDYMZIIASA-N 1 3 194.322 1.373 10 0 ADAEHO [NH3+][C@H]1CCCN(c2ccncc2)C1 41030243 132190779 /nfs/dbraw/zinc/19/07/79/132190779.db2.gz SIQPUCVJPFDVDK-VIFPVBQESA-N 1 3 177.251 1.009 10 0 ADAEHO [NH3+][C@@H]1CCCN(c2ccncc2)C1 41030244 132190838 /nfs/dbraw/zinc/19/08/38/132190838.db2.gz SIQPUCVJPFDVDK-SECBINFHSA-N 1 3 177.251 1.009 10 0 ADAEHO [NH3+]C[C@@H]1CCCCN1c1ccncc1 44559361 132191327 /nfs/dbraw/zinc/19/13/27/132191327.db2.gz JIZGLQNERYPLFW-NSHDSACASA-N 1 3 191.278 1.399 10 0 ADAEHO [NH3+]C[C@H]1CCCN(c2ccncc2)C1 44531649 132191370 /nfs/dbraw/zinc/19/13/70/132191370.db2.gz GUNXEPSKLJNVLK-SNVBAGLBSA-N 1 3 191.278 1.257 10 0 ADAEHO [NH3+]C[C@@H]1CCCN(c2ccncc2)C1 44531651 132191382 /nfs/dbraw/zinc/19/13/82/132191382.db2.gz GUNXEPSKLJNVLK-JTQLQIEISA-N 1 3 191.278 1.257 10 0 ADAEHO [NH3+]C[C@H]1CCCCN1c1ccncc1 44559360 132191469 /nfs/dbraw/zinc/19/14/69/132191469.db2.gz JIZGLQNERYPLFW-LLVKDONJSA-N 1 3 191.278 1.399 10 0 ADAEHO C[C@H]1CN(c2ccncc2)C[C@@H](C)[NH2+]1 53711696 132192741 /nfs/dbraw/zinc/19/27/41/132192741.db2.gz WCNOQJMOIFUJMH-AOOOYVTPSA-N 1 3 191.278 1.268 10 0 ADAEHO C[C@H]1CN(c2ccncc2)C[C@H](C)[NH2+]1 53711699 132192876 /nfs/dbraw/zinc/19/28/76/132192876.db2.gz WCNOQJMOIFUJMH-UWVGGRQHSA-N 1 3 191.278 1.268 10 0 ADAEHO C[C@@H]1CN(c2ccncc2)C[C@@H](C)[NH2+]1 53711702 132193057 /nfs/dbraw/zinc/19/30/57/132193057.db2.gz WCNOQJMOIFUJMH-NXEZZACHSA-N 1 3 191.278 1.268 10 0 ADAEHO C[NH+](C)[C@@H]1CCCCCC[C@@H]1N 23069263 343083411 /nfs/dbraw/zinc/08/34/11/343083411.db2.gz MFJRDIFRRNSDQH-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[NH+](C)[C@@H]1CCCCC[C@@H]1N 23070439 343083430 /nfs/dbraw/zinc/08/34/30/343083430.db2.gz HXBCNYLGCAGTHL-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H](C)CCN)C1 32006591 343095752 /nfs/dbraw/zinc/09/57/52/343095752.db2.gz TZKXBNIAYJIQLO-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H](C)CCN)C1 32006591 343095753 /nfs/dbraw/zinc/09/57/53/343095753.db2.gz TZKXBNIAYJIQLO-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH+]2CCC(N)CC2)C1 26516682 343089689 /nfs/dbraw/zinc/08/96/89/343089689.db2.gz XDTXXQOQNZFOEZ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@@](N)(C[NH3+])C1 35676990 343136518 /nfs/dbraw/zinc/13/65/18/343136518.db2.gz NWZNUCYILWHXJI-WCBMZHEXSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@](N)(C[NH3+])C1 35676988 343136521 /nfs/dbraw/zinc/13/65/21/343136521.db2.gz NWZNUCYILWHXJI-WPRPVWTQSA-N 1 3 170.300 1.489 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1CN 37159238 343161488 /nfs/dbraw/zinc/16/14/88/343161488.db2.gz DRCXNAONTCWKSF-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1CN 37159238 343161489 /nfs/dbraw/zinc/16/14/89/343161489.db2.gz DRCXNAONTCWKSF-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1CC[NH+]([C@H]2CCC[C@H]2CN)CC1 37156838 343161677 /nfs/dbraw/zinc/16/16/77/343161677.db2.gz BSVZVPXKTOFWAW-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1CN 37157454 343161681 /nfs/dbraw/zinc/16/16/81/343161681.db2.gz PBADDIXPGQOSCE-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1CN 37157454 343161682 /nfs/dbraw/zinc/16/16/82/343161682.db2.gz PBADDIXPGQOSCE-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCC[C@@H]1CN 37157456 343161694 /nfs/dbraw/zinc/16/16/94/343161694.db2.gz TYGKHQIMSGVOLN-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 37157456 343161695 /nfs/dbraw/zinc/16/16/95/343161695.db2.gz TYGKHQIMSGVOLN-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@H]1CCCCC[C@@H]1CN 37158301 343161731 /nfs/dbraw/zinc/16/17/31/343161731.db2.gz PQLQCDCWYSXZHS-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)[C@H]1CCCCC[C@@H]1C[NH3+] 37158301 343161732 /nfs/dbraw/zinc/16/17/32/343161732.db2.gz PQLQCDCWYSXZHS-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[NH2+]C1CCN(CC2CCC2)CC1 37242466 343163818 /nfs/dbraw/zinc/16/38/18/343163818.db2.gz WJAOPJFLBUCJOU-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC1CC[NH+](CC2CCC2)CC1 37242466 343163819 /nfs/dbraw/zinc/16/38/19/343163819.db2.gz WJAOPJFLBUCJOU-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1N 37080983 343158371 /nfs/dbraw/zinc/15/83/71/343158371.db2.gz AVRXTXXXPHJLHM-VHSXEESVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1N 37080983 343158373 /nfs/dbraw/zinc/15/83/73/343158373.db2.gz AVRXTXXXPHJLHM-VHSXEESVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@]([NH3+])(CN1CCCC1)C1CC1 37479123 343171104 /nfs/dbraw/zinc/17/11/04/343171104.db2.gz PRIBHFRBBKWUMB-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@H](C)N1CCC([NH2+]C)CC1 37241376 343163826 /nfs/dbraw/zinc/16/38/26/343163826.db2.gz JAGBUNPSSHUEFT-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H](C)[NH+]1CCC(NC)CC1 37241376 343163827 /nfs/dbraw/zinc/16/38/27/343163827.db2.gz JAGBUNPSSHUEFT-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H](CNc1ccncc1)[NH+](C)C 38089185 343184626 /nfs/dbraw/zinc/18/46/26/343184626.db2.gz AGPRBFRMUGVRMZ-SECBINFHSA-N 1 3 179.267 1.444 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H]1C 37910080 343180554 /nfs/dbraw/zinc/18/05/54/343180554.db2.gz NJNVZNZRLCYXEP-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H]1C 37910080 343180555 /nfs/dbraw/zinc/18/05/55/343180555.db2.gz NJNVZNZRLCYXEP-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN1CCC[C@@H]1C 37911199 343180593 /nfs/dbraw/zinc/18/05/93/343180593.db2.gz CNQZLQYOOZNGPG-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN1[C@H]2CCC[C@@H]1C[NH2+]CC2 38343401 343187768 /nfs/dbraw/zinc/18/77/68/343187768.db2.gz DOVYTTBYZNUSOX-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 38343300 343187839 /nfs/dbraw/zinc/18/78/39/343187839.db2.gz KQOCDDJJHIAYSU-PBINXNQUSA-N 1 3 168.284 1.351 10 0 ADAEHO CCC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 38343300 343187840 /nfs/dbraw/zinc/18/78/40/343187840.db2.gz KQOCDDJJHIAYSU-PBINXNQUSA-N 1 3 168.284 1.351 10 0 ADAEHO CC(C)N1[C@H]2CCC[C@@H]1C[NH2+]CC2 38343400 343187859 /nfs/dbraw/zinc/18/78/59/343187859.db2.gz CAAFNHNVDVMPLO-WDEREUQCSA-N 1 3 182.311 1.611 10 0 ADAEHO CN1C[C@@H]2C[C@H](C1)C[N@H+]1CCCC[C@H]21 38312747 343186930 /nfs/dbraw/zinc/18/69/30/343186930.db2.gz JHVZGAIDVLLSEV-GRYCIOLGSA-N 1 3 194.322 1.422 10 0 ADAEHO CN1C[C@@H]2C[C@H](C1)C[N@@H+]1CCCC[C@H]21 38312747 343186931 /nfs/dbraw/zinc/18/69/31/343186931.db2.gz JHVZGAIDVLLSEV-GRYCIOLGSA-N 1 3 194.322 1.422 10 0 ADAEHO CC(C)[NH+]1CCCNCCC1 39103417 343198628 /nfs/dbraw/zinc/19/86/28/343198628.db2.gz ZTUIWSJUPJWKLN-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CC(C)N1CCC[NH2+]CCC1 39103417 343198629 /nfs/dbraw/zinc/19/86/29/343198629.db2.gz ZTUIWSJUPJWKLN-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]1CCN 39080892 343196900 /nfs/dbraw/zinc/19/69/00/343196900.db2.gz QYKOAEKWTUSAHH-VIFPVBQESA-N 1 3 156.273 1.208 10 0 ADAEHO CN1CCC[C@H](Nc2cc[nH+]cc2)C1 40673563 343220891 /nfs/dbraw/zinc/22/08/91/343220891.db2.gz LRUMMSPWWMWNOJ-NSHDSACASA-N 1 3 191.278 1.588 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN1CC[C@H](C)C1 40725265 343222406 /nfs/dbraw/zinc/22/24/06/343222406.db2.gz GJJJJQJQXULSOB-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN1CC[C@@H](C)C1 40725263 343222439 /nfs/dbraw/zinc/22/24/39/343222439.db2.gz GJJJJQJQXULSOB-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1CCN(CC2([NH3+])CCCCC2)C1 40725308 343222447 /nfs/dbraw/zinc/22/24/47/343222447.db2.gz URCYBABXZCTCOK-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H]1CCN(CC2([NH3+])CCCC2)C1 40725339 343222457 /nfs/dbraw/zinc/22/24/57/343222457.db2.gz UHHFYKDWFNYBTB-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@H](CN)C1 44527581 343267302 /nfs/dbraw/zinc/26/73/02/343267302.db2.gz HHUUALDTEQECHJ-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CCC[C@H](CN)C1 44527581 343267303 /nfs/dbraw/zinc/26/73/03/343267303.db2.gz HHUUALDTEQECHJ-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(C)CC1(C[NH3+])CCCC1 49804629 343276600 /nfs/dbraw/zinc/27/66/00/343276600.db2.gz KNWUQYQKSMAIAQ-UHFFFAOYSA-N 1 3 156.273 1.067 10 0 in-vitro ADAEHO C[NH+](C)CC1(CN)CCCC1 49804629 343276601 /nfs/dbraw/zinc/27/66/01/343276601.db2.gz KNWUQYQKSMAIAQ-UHFFFAOYSA-N 1 3 156.273 1.067 10 0 in-vitro ADAEHO CC(C)(C)[C@@H]1CC[C@H](CN)[C@H]([NH3+])C1 50285713 343281128 /nfs/dbraw/zinc/28/11/28/343281128.db2.gz DTFWREXGUOEOCU-OPRDCNLKSA-N 1 3 184.327 1.735 10 0 ADAEHO CC[C@@H]1CC[C@H](CN)[C@H]([NH3+])C1 50285725 343281133 /nfs/dbraw/zinc/28/11/33/343281133.db2.gz OMIONCHSXDKRCL-IWSPIJDZSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@@H](CN)[C@H]([NH3+])C1 50285715 343281162 /nfs/dbraw/zinc/28/11/62/343281162.db2.gz DTFWREXGUOEOCU-IVZWLZJFSA-N 1 3 184.327 1.735 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CC[C@@H](C)C[C@H]1C 51730081 343292699 /nfs/dbraw/zinc/29/26/99/343292699.db2.gz IZICDEFJXZEWCF-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CNC[C@H](C)C[NH+](C2CCC2)C1 52213839 343302730 /nfs/dbraw/zinc/30/27/30/343302730.db2.gz IAYIBJXWBUUCAB-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1[C@H]1C[C@H]1C 52289038 343304203 /nfs/dbraw/zinc/30/42/03/343304203.db2.gz WMDJAYJCFXKSQL-KATARQTJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1C[C@H]1N1CCC[NH2+][C@H](C)CC1 52298956 343305388 /nfs/dbraw/zinc/30/53/88/343305388.db2.gz JTLZNIDQCSNVDZ-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@H]1N1CC[C@H]([NH3+])[C@H](C)C1 52289005 343304085 /nfs/dbraw/zinc/30/40/85/343304085.db2.gz QOQFFBKDFXVWNW-QCLAVDOMSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1CN([C@@H]2C[C@H]2C)CC[C@@H]1[NH3+] 52289003 343304122 /nfs/dbraw/zinc/30/41/22/343304122.db2.gz QOQFFBKDFXVWNW-DOLQZWNJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CC1CC1 53255646 343313588 /nfs/dbraw/zinc/31/35/88/343313588.db2.gz ILRFUBQDRBDUMZ-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CC1CC1 53255646 343313590 /nfs/dbraw/zinc/31/35/90/343313590.db2.gz ILRFUBQDRBDUMZ-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CCSCCNCCC[NH+](C)C 53616534 343314913 /nfs/dbraw/zinc/31/49/13/343314913.db2.gz NMOFPBPKLUPWLC-UHFFFAOYSA-N 1 3 190.356 1.281 10 0 ADAEHO CN(C[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 53865485 343316879 /nfs/dbraw/zinc/31/68/79/343316879.db2.gz GPUVRPVHPAWLRE-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO [NH2+]=C1CCCN1CCN1CCCC1 54127779 343318003 /nfs/dbraw/zinc/31/80/03/343318003.db2.gz QPBVTZCIECJYKI-UHFFFAOYSA-N 1 3 181.283 1.155 10 0 ADAEHO C[C@H](C1CCCC1)[NH+]1CCC(N)CC1 54081983 343318041 /nfs/dbraw/zinc/31/80/41/343318041.db2.gz KGWUAWKXUCKYND-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](C[NH3+])CN(C)Cc1ccccc1 57402530 343337227 /nfs/dbraw/zinc/33/72/27/343337227.db2.gz BNCCJZLUVUSXKB-LLVKDONJSA-N 1 3 192.306 1.713 10 0 ADAEHO CCC[C@]1(CN)CCC[NH2+]C1 62862293 343383741 /nfs/dbraw/zinc/38/37/41/343383741.db2.gz FADWGFUATDYWQV-SECBINFHSA-N 1 3 156.273 1.115 10 0 ADAEHO C[C@@H]1CCCCN1C[C@]1(C)CC[NH2+]C1 62910732 343384706 /nfs/dbraw/zinc/38/47/06/343384706.db2.gz UVCBSEFEHZOPLQ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(C)C[C@@]1(C)CCC[NH2+]C1 62861886 343383659 /nfs/dbraw/zinc/38/36/59/343383659.db2.gz ULEBLVUOFZNQKA-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@H+](C)C[C@@]1(C)CCCNC1 62861886 343383661 /nfs/dbraw/zinc/38/36/61/343383661.db2.gz ULEBLVUOFZNQKA-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CC[C@]1(C[NH+]2CCCC2)CCCNC1 62861594 343383690 /nfs/dbraw/zinc/38/36/90/343383690.db2.gz ZOJHLFDZIAGZHF-LBPRGKRZSA-N 1 3 196.338 1.862 10 0 ADAEHO C[C@@]1(CNC2CC2)CCC[NH2+]C1 62862244 343383704 /nfs/dbraw/zinc/38/37/04/343383704.db2.gz KJVOEXLHMILTDF-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@@]1(C[NH2+]C2CC2)CCCNC1 62862244 343383705 /nfs/dbraw/zinc/38/37/05/343383705.db2.gz KJVOEXLHMILTDF-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@H](N)C[NH+]1CCC2(CCCC2)CC1 62953575 343388134 /nfs/dbraw/zinc/38/81/34/343388134.db2.gz BDOQULAUNLFRIE-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CCN1CCC(N(C)C(C)=[NH2+])CC1 62987454 343390845 /nfs/dbraw/zinc/39/08/45/343390845.db2.gz PPYZGMZJYKUHAE-UHFFFAOYSA-N 1 3 183.299 1.400 10 0 ADAEHO CCC(=[NH2+])N(C)C1CCN(C)CC1 62989584 343392842 /nfs/dbraw/zinc/39/28/42/343392842.db2.gz GIGZOUXPKQNPHO-UHFFFAOYSA-N 1 3 183.299 1.400 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN2CCC[C@H]12 62992608 343394514 /nfs/dbraw/zinc/39/45/14/343394514.db2.gz QVPBLSDKGPIHNB-RKDXNWHRSA-N 1 3 181.283 1.200 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN2CCC[C@H]12 62992609 343394533 /nfs/dbraw/zinc/39/45/33/343394533.db2.gz QVPBLSDKGPIHNB-DTWKUNHWSA-N 1 3 181.283 1.200 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN2CCCC[C@H]12 62993318 343395049 /nfs/dbraw/zinc/39/50/49/343395049.db2.gz ISZRZQQIXOOJJV-VHSXEESVSA-N 1 3 195.310 1.590 10 0 ADAEHO [NH3+]CC/C=C1/CCN(C2CC2)C1 69050345 343424846 /nfs/dbraw/zinc/42/48/46/343424846.db2.gz GIOJQVSCGZXMRP-MBXJOHMKSA-N 1 3 166.268 1.130 10 0 ADAEHO C[C@@H]1CCCN1C[C@H]([NH3+])C1CC1 68894705 343413717 /nfs/dbraw/zinc/41/37/17/343413717.db2.gz FMIBTBLLZOZFTP-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO c1cc(N[C@H]2CCCC[NH2+]C2)ccn1 69683957 343434310 /nfs/dbraw/zinc/43/43/10/343434310.db2.gz SVHCDJCUCXKMGY-NSHDSACASA-N 1 3 191.278 1.636 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1C1CCC1 69727620 343438587 /nfs/dbraw/zinc/43/85/87/343438587.db2.gz WZKUOEUGFNVYSP-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1C1CCC1 69727620 343438589 /nfs/dbraw/zinc/43/85/89/343438589.db2.gz WZKUOEUGFNVYSP-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H](CN)[N@@H+]1CCSC[C@@H]1C 69760692 343439340 /nfs/dbraw/zinc/43/93/40/343439340.db2.gz IPWWIUPHHDSVKE-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCCC1(C)C 70046190 343468841 /nfs/dbraw/zinc/46/88/41/343468841.db2.gz AFGYMRJWOKUFEP-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCNC[C@H]1C 70045517 343469070 /nfs/dbraw/zinc/46/90/70/343469070.db2.gz ZZGDBRWOBXZFBR-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCNC[C@H]1C 70045517 343469071 /nfs/dbraw/zinc/46/90/71/343469071.db2.gz ZZGDBRWOBXZFBR-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCCC1(C)C 70046193 343469153 /nfs/dbraw/zinc/46/91/53/343469153.db2.gz AFGYMRJWOKUFEP-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCCC1(C)C 70046193 343469156 /nfs/dbraw/zinc/46/91/56/343469156.db2.gz AFGYMRJWOKUFEP-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@@H](NC2CC2)C1 70584692 343497160 /nfs/dbraw/zinc/49/71/60/343497160.db2.gz GQVABTSUKIANBL-SNVBAGLBSA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@@H](NC2CC2)C1 70584692 343497162 /nfs/dbraw/zinc/49/71/62/343497162.db2.gz GQVABTSUKIANBL-SNVBAGLBSA-N 1 3 182.311 1.611 10 0 ADAEHO [NH3+][C@H]1CCCN(C(C2CC2)C2CC2)C1 70586282 343497230 /nfs/dbraw/zinc/49/72/30/343497230.db2.gz AZDOFNKEEAXEEF-NSHDSACASA-N 1 3 194.322 1.598 10 0 ADAEHO CC1(C)CCC[C@@](N)(C[NH3+])C1 70629079 343508705 /nfs/dbraw/zinc/50/87/05/343508705.db2.gz JQLVRBZMBKPOHP-VIFPVBQESA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH+]2CCC(N)CC2)C1 70644808 343515881 /nfs/dbraw/zinc/51/58/81/343515881.db2.gz HGHDEWXMSOOFRQ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 70644812 343516032 /nfs/dbraw/zinc/51/60/32/343516032.db2.gz CVBKWTWICRZJGK-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](CN)C2)C1 70644878 343516184 /nfs/dbraw/zinc/51/61/84/343516184.db2.gz LRCWVLAQDOLIFT-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](CN)C2)C1 70644880 343516197 /nfs/dbraw/zinc/51/61/97/343516197.db2.gz LRCWVLAQDOLIFT-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](CN)C2)C1 70644880 343516198 /nfs/dbraw/zinc/51/61/98/343516198.db2.gz LRCWVLAQDOLIFT-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@H]([NH+]2CCC(N)CC2)C1 70644811 343516203 /nfs/dbraw/zinc/51/62/03/343516203.db2.gz CVBKWTWICRZJGK-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@H](N2CCC([NH3+])CC2)C1 70644811 343516204 /nfs/dbraw/zinc/51/62/04/343516204.db2.gz CVBKWTWICRZJGK-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CC[C@H]([NH+]2CCC(N)CC2)C1 70644807 343516209 /nfs/dbraw/zinc/51/62/09/343516209.db2.gz HGHDEWXMSOOFRQ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1CC[C@H](N2CCC([NH3+])CC2)C1 70644807 343516210 /nfs/dbraw/zinc/51/62/10/343516210.db2.gz HGHDEWXMSOOFRQ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@@H]([NH+]2CCC(N)CC2)C1 70644813 343516256 /nfs/dbraw/zinc/51/62/56/343516256.db2.gz CVBKWTWICRZJGK-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 70644813 343516257 /nfs/dbraw/zinc/51/62/57/343516257.db2.gz CVBKWTWICRZJGK-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](CN)C2)C1 70644876 343516267 /nfs/dbraw/zinc/51/62/67/343516267.db2.gz CTYQLDHEBSYHPY-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H](CN)C2)C1 70644876 343516268 /nfs/dbraw/zinc/51/62/68/343516268.db2.gz CTYQLDHEBSYHPY-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO c1cc(N[C@@H]2CCC[NH2+]C2)ccn1 70950526 343543657 /nfs/dbraw/zinc/54/36/57/343543657.db2.gz GIRTZPHCSWNEBN-SNVBAGLBSA-N 1 3 177.251 1.246 10 0 ADAEHO NC1(C[NH3+])CCC(C(F)(F)F)CC1 72208882 343562918 /nfs/dbraw/zinc/56/29/18/343562918.db2.gz FMDBDEMEJQFDEQ-UHFFFAOYSA-N 1 3 196.216 1.395 10 0 ADAEHO CC(C)CN1CC[C@H]([NH3+])[C@@H]1C 84329187 343634118 /nfs/dbraw/zinc/63/41/18/343634118.db2.gz AJJLMAVYNSDTLV-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 87255102 343658685 /nfs/dbraw/zinc/65/86/85/343658685.db2.gz FAXDPWTXLUNQLO-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[C@H](C)N[C@H]1CCCC[NH2+]C1 86679266 343654070 /nfs/dbraw/zinc/65/40/70/343654070.db2.gz JMSKRZVMYLQTKO-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO C1=CC[C@@H]([NH2+][C@H]2CCNC2)CC1 86730775 343654853 /nfs/dbraw/zinc/65/48/53/343654853.db2.gz LYUHTIYZYHOJRV-ZJUUUORDSA-N 1 3 166.268 1.047 10 0 ADAEHO C1CNCC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107168994 343746355 /nfs/dbraw/zinc/74/63/55/343746355.db2.gz HSIDRQOBGILQKM-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO NC1CC[NH+]([C@@H]2CCC[C@@H]3C[C@@H]32)CC1 107184209 343747451 /nfs/dbraw/zinc/74/74/51/343747451.db2.gz CIQSHPHQFLZYFR-ADEWGFFLSA-N 1 3 194.322 1.598 10 0 ADAEHO NC1CC[NH+]([C@@H]2CCC[C@H]3C[C@H]32)CC1 107184216 343747507 /nfs/dbraw/zinc/74/75/07/343747507.db2.gz CIQSHPHQFLZYFR-MVWJERBFSA-N 1 3 194.322 1.598 10 0 ADAEHO NC1CC([N@H+]2C[C@H]3CCC[C@H]3C2)C1 126657446 343795303 /nfs/dbraw/zinc/79/53/03/343795303.db2.gz XVULISDBEMNSQO-IXBNRNDTSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1C1CCC1 126751883 343796649 /nfs/dbraw/zinc/79/66/49/343796649.db2.gz NNLZKZAQPNEJER-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CCC1)C1CC[NH2+]CC1 127453203 343811949 /nfs/dbraw/zinc/81/19/49/343811949.db2.gz FGYFGOUTTMKVNB-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCC1 127514780 343813383 /nfs/dbraw/zinc/81/33/83/343813383.db2.gz HHWYRGDSEUAUQX-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CN(C[C@]1(C)CC[NH2+]C1)C1CCC1 127515033 343813411 /nfs/dbraw/zinc/81/34/11/343813411.db2.gz HHWYRGDSEUAUQX-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)C1CCC1 127527348 343813465 /nfs/dbraw/zinc/81/34/65/343813465.db2.gz SWWZOLUMEGAEBD-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@@H+](C[C@]2(C)CCCCN2)C1 127364297 343811071 /nfs/dbraw/zinc/81/10/71/343811071.db2.gz HIDOLGOYUUQCJG-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CC[C@@H]1CN 127882767 343821041 /nfs/dbraw/zinc/82/10/41/343821041.db2.gz YDXRMPVFEZIHHK-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CC[C@@H]1CN 127882767 343821042 /nfs/dbraw/zinc/82/10/42/343821042.db2.gz YDXRMPVFEZIHHK-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CCC1)[C@H]1CC[C@@H]1C[NH3+] 127882767 343821043 /nfs/dbraw/zinc/82/10/43/343821043.db2.gz YDXRMPVFEZIHHK-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[C@H]([NH2+]C2CC(N)C2)C1 128609247 343834537 /nfs/dbraw/zinc/83/45/37/343834537.db2.gz NCVSIVOUZWCMFP-KYHHOPLUSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC[C@@H]([NH2+]C2CC(N)C2)C1 128609484 343834550 /nfs/dbraw/zinc/83/45/50/343834550.db2.gz NCVSIVOUZWCMFP-HWOCKDDLSA-N 1 3 182.311 1.644 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CC[C@H](C)C2)CC1 129255545 343847194 /nfs/dbraw/zinc/84/71/94/343847194.db2.gz OSQCDSURXONLAE-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 129255545 343847195 /nfs/dbraw/zinc/84/71/95/343847195.db2.gz OSQCDSURXONLAE-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CC[C@@H](C)C2)CC1 129255796 343847214 /nfs/dbraw/zinc/84/72/14/343847214.db2.gz OSQCDSURXONLAE-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 129255796 343847215 /nfs/dbraw/zinc/84/72/15/343847215.db2.gz OSQCDSURXONLAE-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CC[C@H](C)C2)CC1 129256000 343847222 /nfs/dbraw/zinc/84/72/22/343847222.db2.gz OSQCDSURXONLAE-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 129256000 343847223 /nfs/dbraw/zinc/84/72/23/343847223.db2.gz OSQCDSURXONLAE-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C[NH+]1CCCC1)=C1CNC1 129435139 343849940 /nfs/dbraw/zinc/84/99/40/343849940.db2.gz QTBWVWAOCPQFBT-UHFFFAOYSA-N 1 3 166.268 1.002 10 0 ADAEHO CCC1C[NH+](C2(C)CCNCC2)C1 129660771 343854803 /nfs/dbraw/zinc/85/48/03/343854803.db2.gz MLBAEDWKXWPULW-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C1(C)CCN(CC2CC2)CC1 129718992 343855244 /nfs/dbraw/zinc/85/52/44/343855244.db2.gz YEBCSBYLEYONAQ-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H](C[NH+](C)C)Nc1ccncc1 130636474 343871694 /nfs/dbraw/zinc/87/16/94/343871694.db2.gz NUJCCSATRIWZIE-SECBINFHSA-N 1 3 179.267 1.444 10 0 ADAEHO C[C@@H]1CCN(C2CC([NH3+])C2)C[C@@H]1C 132200995 343895629 /nfs/dbraw/zinc/89/56/29/343895629.db2.gz UZRRGASPVGAFME-MFQSTILNSA-N 1 3 182.311 1.454 10 0 ADAEHO N[C@H]1CCC[C@@H]([NH2+]C2CC=CC2)C1 132536432 343900111 /nfs/dbraw/zinc/90/01/11/343900111.db2.gz KUVKXSMQEOGCEK-GXSJLCMTSA-N 1 3 180.295 1.565 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH2+]C2CC=CC2)C1 132536654 343900175 /nfs/dbraw/zinc/90/01/75/343900175.db2.gz KUVKXSMQEOGCEK-MWLCHTKSSA-N 1 3 180.295 1.565 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]C2CC=CC2)C1 132583055 343900763 /nfs/dbraw/zinc/90/07/63/343900763.db2.gz JFHCMLMXTAXTCB-SCZZXKLOSA-N 1 3 166.268 1.174 10 0 ADAEHO C(CNC1CC1)C[NH2+]C1CCC1 52212456 166046930 /nfs/dbraw/zinc/04/69/30/166046930.db2.gz AUAAZMQPNLEWMI-UHFFFAOYSA-N 1 3 168.284 1.271 10 0 ADAEHO C(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H]1C2 49716586 166047574 /nfs/dbraw/zinc/04/75/74/166047574.db2.gz DAWJKKLYTVBQNJ-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO C(CNC1CC1)C[N@@H+]1C[C@H]2CC[C@@H]1C2 49716586 166047576 /nfs/dbraw/zinc/04/75/76/166047576.db2.gz DAWJKKLYTVBQNJ-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO C(CNC1CC1)C[N@H+]1C[C@H]2CC[C@@H]1C2 49716586 166047577 /nfs/dbraw/zinc/04/75/77/166047577.db2.gz DAWJKKLYTVBQNJ-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO C/C=C/CN1CCC[C@@H](C[NH3+])C1 44529444 166062465 /nfs/dbraw/zinc/06/24/65/166062465.db2.gz KRVYURCEQYABJL-PBKGFPTLSA-N 1 3 168.284 1.233 10 0 ADAEHO C/C=C/C[N@H+](C)C1CCNCC1 36300572 166062485 /nfs/dbraw/zinc/06/24/85/166062485.db2.gz KUGGLAQRTCISGO-ONEGZZNKSA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C/C[N@@H+](C)C1CCNCC1 36300572 166062487 /nfs/dbraw/zinc/06/24/87/166062487.db2.gz KUGGLAQRTCISGO-ONEGZZNKSA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C/CN1CCC[C@H](C[NH3+])C1 44529442 166062776 /nfs/dbraw/zinc/06/27/76/166062776.db2.gz KRVYURCEQYABJL-VMZHVLLKSA-N 1 3 168.284 1.233 10 0 ADAEHO C/C=C/CN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750156 166063510 /nfs/dbraw/zinc/06/35/10/166063510.db2.gz WNMRLJQEKPJPHY-UUONQYDUSA-N 1 3 180.295 1.517 10 0 ADAEHO C/C=C/C[N@@H+](CC)C1CCNCC1 37469528 166063675 /nfs/dbraw/zinc/06/36/75/166063675.db2.gz AWPRAULTXWYSKI-HWKANZROSA-N 1 3 182.311 1.636 10 0 ADAEHO C/C=C/C[N@H+](CC)C1CCNCC1 37469528 166063676 /nfs/dbraw/zinc/06/36/76/166063676.db2.gz AWPRAULTXWYSKI-HWKANZROSA-N 1 3 182.311 1.636 10 0 ADAEHO C1=C(C[NH+]2CCCCC2)CNCC1 75570334 166072445 /nfs/dbraw/zinc/07/24/45/166072445.db2.gz GBLLJHAUQKBFAC-UHFFFAOYSA-N 1 3 180.295 1.392 10 0 ADAEHO C1=C(CNC2CC[NH2+]CC2)CCCC1 307559085 166072461 /nfs/dbraw/zinc/07/24/61/166072461.db2.gz FIAHURNDAJLPKN-UHFFFAOYSA-N 1 3 194.322 1.828 10 0 ADAEHO C1=C(C[NH2+]C2CCNCC2)CCCC1 307559085 166072464 /nfs/dbraw/zinc/07/24/64/166072464.db2.gz FIAHURNDAJLPKN-UHFFFAOYSA-N 1 3 194.322 1.828 10 0 ADAEHO C1=CC[C@@H](C[NH2+]C2CCNCC2)CC1 45629266 166075448 /nfs/dbraw/zinc/07/54/48/166075448.db2.gz ODKSULNKFQNSEY-LLVKDONJSA-N 1 3 194.322 1.684 10 0 ADAEHO C1=CC[C@@H]([NH2+][C@H]2CCCNCC2)CC1 160687933 166075961 /nfs/dbraw/zinc/07/59/61/166075961.db2.gz YQWJJXGWNGGMPJ-NEPJUHHUSA-N 1 3 194.322 1.827 10 0 ADAEHO C1=CC[C@H]([NH2+][C@@H]2CCCNCC2)CC1 160687809 166075988 /nfs/dbraw/zinc/07/59/88/166075988.db2.gz YQWJJXGWNGGMPJ-NWDGAFQWSA-N 1 3 194.322 1.827 10 0 ADAEHO C1=CC[N@H+](C2CCNCC2)CC1 75423210 166076174 /nfs/dbraw/zinc/07/61/74/166076174.db2.gz SNYSEPJHWVJOGF-UHFFFAOYSA-N 1 3 166.268 1.000 10 0 ADAEHO C1=CC[N@@H+](C2CCNCC2)CC1 75423210 166076175 /nfs/dbraw/zinc/07/61/75/166076175.db2.gz SNYSEPJHWVJOGF-UHFFFAOYSA-N 1 3 166.268 1.000 10 0 ADAEHO C1=CC[C@@H]([NH2+][C@@H]2CCCNCC2)CC1 160688063 166076479 /nfs/dbraw/zinc/07/64/79/166076479.db2.gz YQWJJXGWNGGMPJ-VXGBXAGGSA-N 1 3 194.322 1.827 10 0 ADAEHO C1=CC[C@H](C[NH2+]C2CCNCC2)CC1 45629267 166076828 /nfs/dbraw/zinc/07/68/28/166076828.db2.gz ODKSULNKFQNSEY-NSHDSACASA-N 1 3 194.322 1.684 10 0 ADAEHO C1=CC[C@H]([NH2+][C@H]2CCCNCC2)CC1 160687709 166076849 /nfs/dbraw/zinc/07/68/49/166076849.db2.gz YQWJJXGWNGGMPJ-RYUDHWBXSA-N 1 3 194.322 1.827 10 0 ADAEHO C1=CC2C=CC=C2[NH+]=C1 72230843 166077449 /nfs/dbraw/zinc/07/74/49/166077449.db2.gz MUSFMGSYJBDLRL-ZETCQYMHSA-N 1 3 117.151 1.697 10 0 ADAEHO C1=C[C@H](C[NH2+]C2CCNCC2)CCC1 95938026 166077702 /nfs/dbraw/zinc/07/77/02/166077702.db2.gz UVINGEUNYFDJCW-NSHDSACASA-N 1 3 194.322 1.684 10 0 ADAEHO C1=C[C@@H](C[NH2+]C2CCNCC2)CCC1 95938027 166078431 /nfs/dbraw/zinc/07/84/31/166078431.db2.gz UVINGEUNYFDJCW-LLVKDONJSA-N 1 3 194.322 1.684 10 0 ADAEHO C1=CC2C=CC=C2[NH+]=C1 72230842 166079035 /nfs/dbraw/zinc/07/90/35/166079035.db2.gz MUSFMGSYJBDLRL-SSDOTTSWSA-N 1 3 117.151 1.697 10 0 ADAEHO C1CC([N@H+]2C[C@H]3CC[C@@H]2C3)CCN1 49716228 166082893 /nfs/dbraw/zinc/08/28/93/166082893.db2.gz DFNSJFLZNGCASL-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC([N@@H+]2C[C@H]3CC[C@@H]2C3)CCN1 49716228 166082896 /nfs/dbraw/zinc/08/28/96/166082896.db2.gz DFNSJFLZNGCASL-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC(C[NH2+]CCCN2CCCC2)C1 49332413 166082947 /nfs/dbraw/zinc/08/29/47/166082947.db2.gz BUYAXBMAVRCNEE-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO C1CC([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)CCN1 307732861 166082956 /nfs/dbraw/zinc/08/29/56/166082956.db2.gz QNZWPVUYDSPMTF-DOFRTFSJSA-N 1 3 180.295 1.127 10 0 ADAEHO C1CC(CN2CCC3(CC[NH2+]3)CC2)C1 335486045 166083027 /nfs/dbraw/zinc/08/30/27/166083027.db2.gz FMMDGOGVPFXYMC-UHFFFAOYSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CC(C[NH2+]C2CCNCC2)C1 38040829 166083378 /nfs/dbraw/zinc/08/33/78/166083378.db2.gz KRVGDQQGCBBBQR-UHFFFAOYSA-N 1 3 168.284 1.128 10 0 ADAEHO C1CC([N@H+]2C[C@@H]3CC[C@H]2C3)CCN1 49716227 166083443 /nfs/dbraw/zinc/08/34/43/166083443.db2.gz DFNSJFLZNGCASL-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC([N@@H+]2C[C@@H]3CC[C@H]2C3)CCN1 49716227 166083444 /nfs/dbraw/zinc/08/34/44/166083444.db2.gz DFNSJFLZNGCASL-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC(C[NH+]2CCCNCCC2)C1 49665877 166083474 /nfs/dbraw/zinc/08/34/74/166083474.db2.gz FSKUMJAMTTYAGN-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO C1CC(CN[C@H]2CCC[NH2+]C2)C1 43325371 166083608 /nfs/dbraw/zinc/08/36/08/166083608.db2.gz LXIVMNQQFGXHSM-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C1CC([NH+]2CCCNCCC2)C1 52213844 166083808 /nfs/dbraw/zinc/08/38/08/166083808.db2.gz ZSCDHQRRCYXETF-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC(N2CCC[NH2+]CCC2)C1 52213844 166083810 /nfs/dbraw/zinc/08/38/10/166083810.db2.gz ZSCDHQRRCYXETF-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC(CN[C@@H]2CCC[NH2+]C2)C1 43325369 166083989 /nfs/dbraw/zinc/08/39/89/166083989.db2.gz LXIVMNQQFGXHSM-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C1CC(NCC[C@@H]2CCC[NH2+]2)C1 52212212 166084433 /nfs/dbraw/zinc/08/44/33/166084433.db2.gz YZYUQOUMWXDCRM-JTQLQIEISA-N 1 3 168.284 1.271 10 0 ADAEHO C1CC([C@@H]2C[C@H]2[NH2+]C2CCNCC2)C1 335077512 166085087 /nfs/dbraw/zinc/08/50/87/166085087.db2.gz LXBIUDPTJSLFBA-NWDGAFQWSA-N 1 3 194.322 1.517 10 0 ADAEHO C1CC([C@@H]2C[C@H]2NC2CC[NH2+]CC2)C1 335077512 166085088 /nfs/dbraw/zinc/08/50/88/166085088.db2.gz LXBIUDPTJSLFBA-NWDGAFQWSA-N 1 3 194.322 1.517 10 0 ADAEHO C1CC2(CCN(CC3CC3)CC2)[NH2+]1 335562319 166085977 /nfs/dbraw/zinc/08/59/77/166085977.db2.gz RMZGGPFYARKPOV-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO C1CCC(CCN[C@@H]2CCC[NH2+]C2)C1 43327109 166086730 /nfs/dbraw/zinc/08/67/30/166086730.db2.gz PSAQKVBQPOTBAZ-GFCCVEGCSA-N 1 3 196.338 1.908 10 0 ADAEHO C1CCC([NH+]2CCCNCCC2)C1 49664911 166086946 /nfs/dbraw/zinc/08/69/46/166086946.db2.gz VNXPTWSMRDPXOK-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO C1CCC(NCC[C@@H]2CCC[NH2+]2)C1 42172295 166086967 /nfs/dbraw/zinc/08/69/67/166086967.db2.gz MAAXNZIMORYYHU-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO C1CCC(NCC[NH2+]C2CCC2)C1 52212453 166087324 /nfs/dbraw/zinc/08/73/24/166087324.db2.gz FBBWZKARZHDVLY-UHFFFAOYSA-N 1 3 182.311 1.661 10 0 ADAEHO C1CCC(CCN[C@H]2CCC[NH2+]C2)C1 43327110 166087814 /nfs/dbraw/zinc/08/78/14/166087814.db2.gz PSAQKVBQPOTBAZ-LBPRGKRZSA-N 1 3 196.338 1.908 10 0 ADAEHO C1CCC(CC[NH2+]C2CCNCC2)C1 38041472 166087920 /nfs/dbraw/zinc/08/79/20/166087920.db2.gz RWFCRKSYQJIEKD-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO C1CCC(C[NH+]2CCCNCCC2)C1 49666027 166088344 /nfs/dbraw/zinc/08/83/44/166088344.db2.gz KNYXOFOZAXTKIG-UHFFFAOYSA-N 1 3 196.338 1.862 10 0 ADAEHO C1CCC(NCC[C@H]2CCC[NH2+]2)C1 42172298 166088502 /nfs/dbraw/zinc/08/85/02/166088502.db2.gz MAAXNZIMORYYHU-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C1CCC(C[NH2+]C2CCNCC2)C1 38040836 166088581 /nfs/dbraw/zinc/08/85/81/166088581.db2.gz IZMKGBQKYHBQAS-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C1CCC2(C1)C[C@@H]2[NH2+]C1CCNCC1 307008967 166088823 /nfs/dbraw/zinc/08/88/23/166088823.db2.gz HLHJQYHWGZIFDG-NSHDSACASA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC2(C1)C[C@@H]2NC1CC[NH2+]CC1 307008967 166088825 /nfs/dbraw/zinc/08/88/25/166088825.db2.gz HLHJQYHWGZIFDG-NSHDSACASA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC2(C1)CC[C@H]2[NH2+]CC1CNC1 335460877 166089655 /nfs/dbraw/zinc/08/96/55/166089655.db2.gz FVNFFDSJMWGGBT-LLVKDONJSA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCC2(C1)CC[C@H]2NCC1C[NH2+]C1 335460877 166089656 /nfs/dbraw/zinc/08/96/56/166089656.db2.gz FVNFFDSJMWGGBT-LLVKDONJSA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCC2(C1)C[C@H]2[NH2+]C1CCNCC1 307008966 166089887 /nfs/dbraw/zinc/08/98/87/166089887.db2.gz HLHJQYHWGZIFDG-LLVKDONJSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC2(C1)C[C@H]2NC1CC[NH2+]CC1 307008966 166089889 /nfs/dbraw/zinc/08/98/89/166089889.db2.gz HLHJQYHWGZIFDG-LLVKDONJSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC2(C1)CC[C@@H]2[NH2+]CC1CNC1 335460878 166090293 /nfs/dbraw/zinc/09/02/93/166090293.db2.gz FVNFFDSJMWGGBT-NSHDSACASA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCC2(C1)CC[C@@H]2NCC1C[NH2+]C1 335460878 166090296 /nfs/dbraw/zinc/09/02/96/166090296.db2.gz FVNFFDSJMWGGBT-NSHDSACASA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCN2CCCC[C@@H]2C[NH2+]C1 62566436 166090650 /nfs/dbraw/zinc/09/06/50/166090650.db2.gz BRKXXUOAFNADLC-SNVBAGLBSA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC[N@H+]2CCCC[C@@H]2CNC1 62566436 166090654 /nfs/dbraw/zinc/09/06/54/166090654.db2.gz BRKXXUOAFNADLC-SNVBAGLBSA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC[N@@H+]2CCCC[C@@H]2CNC1 62566436 166090656 /nfs/dbraw/zinc/09/06/56/166090656.db2.gz BRKXXUOAFNADLC-SNVBAGLBSA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC[C@@H](NCC2CC2)C[NH2+]C1 335641433 166091121 /nfs/dbraw/zinc/09/11/21/166091121.db2.gz DXZIEQAPQIBGGD-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C1CCN(CC[C@@H]2CCC[NH2+]2)CC1 3732245 166091622 /nfs/dbraw/zinc/09/16/22/166091622.db2.gz MMFFLUHXZGQHPL-NSHDSACASA-N 1 3 182.311 1.614 10 0 ADAEHO C1CCN2CCCC[C@H]2C[NH2+]C1 62566434 166092077 /nfs/dbraw/zinc/09/20/77/166092077.db2.gz BRKXXUOAFNADLC-JTQLQIEISA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC[N@H+]2CCCC[C@H]2CNC1 62566434 166092078 /nfs/dbraw/zinc/09/20/78/166092078.db2.gz BRKXXUOAFNADLC-JTQLQIEISA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC[N@@H+]2CCCC[C@H]2CNC1 62566434 166092079 /nfs/dbraw/zinc/09/20/79/166092079.db2.gz BRKXXUOAFNADLC-JTQLQIEISA-N 1 3 168.284 1.224 10 0 ADAEHO C1CCN(CC[C@H]2CCC[NH2+]2)CC1 3732244 166092449 /nfs/dbraw/zinc/09/24/49/166092449.db2.gz MMFFLUHXZGQHPL-LLVKDONJSA-N 1 3 182.311 1.614 10 0 ADAEHO C1CC[C@H](NCC2CC2)C[NH2+]C1 335641431 166093198 /nfs/dbraw/zinc/09/31/98/166093198.db2.gz DXZIEQAPQIBGGD-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C1CC[C@@H]2CC[NH2+]CCN2CC1 80550005 166093947 /nfs/dbraw/zinc/09/39/47/166093947.db2.gz QTOFEVXUQJKZOI-SNVBAGLBSA-N 1 3 168.284 1.224 10 0 ADAEHO C1CC[C@H]2CC[NH2+]CCN2CC1 80550008 166094914 /nfs/dbraw/zinc/09/49/14/166094914.db2.gz QTOFEVXUQJKZOI-JTQLQIEISA-N 1 3 168.284 1.224 10 0 ADAEHO C1C[NH2+][C@H](CCN2CCCC2)C1 41653064 166096972 /nfs/dbraw/zinc/09/69/72/166096972.db2.gz SYRFZVNNJIKFKL-JTQLQIEISA-N 1 3 168.284 1.224 10 0 ADAEHO C1C[NH2+][C@H](CCNCC2CC2)C1 42172313 166097642 /nfs/dbraw/zinc/09/76/42/166097642.db2.gz NFSNAMNWSMKATL-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C1C[NH2+][C@@H](CCNCC2CC2)C1 42172311 166097928 /nfs/dbraw/zinc/09/79/28/166097928.db2.gz NFSNAMNWSMKATL-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C1C[NH2+][C@@H](CCN2CCCC2)C1 41653070 166098748 /nfs/dbraw/zinc/09/87/48/166098748.db2.gz SYRFZVNNJIKFKL-SNVBAGLBSA-N 1 3 168.284 1.224 10 0 ADAEHO C1C[C@@H]([NH2+][C@@H]2CC3CCC2CC3)CN1 306468440 166102560 /nfs/dbraw/zinc/10/25/60/166102560.db2.gz MSGQFXBTMUIDGA-KIDURHIOSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[C@@H]([NH2+][C@H]2CC3CCC2CC3)CN1 306468439 166102877 /nfs/dbraw/zinc/10/28/77/166102877.db2.gz MSGQFXBTMUIDGA-HCWSGVFWSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[C@H]([NH2+][C@H]2CC3CCC2CC3)CN1 306468444 166106381 /nfs/dbraw/zinc/10/63/81/166106381.db2.gz MSGQFXBTMUIDGA-QQFIATSDSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[C@H]([NH2+][C@@H]2CC3CCC2CC3)CN1 306468442 166106499 /nfs/dbraw/zinc/10/64/99/166106499.db2.gz MSGQFXBTMUIDGA-MMVSWEMESA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1CC=CC1 133113308 343912027 /nfs/dbraw/zinc/91/20/27/343912027.db2.gz OKCJFVCODVLRLS-ZJUUUORDSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1CC=CC1 133113308 343912028 /nfs/dbraw/zinc/91/20/28/343912028.db2.gz OKCJFVCODVLRLS-ZJUUUORDSA-N 1 3 180.295 1.517 10 0 ADAEHO C1CC(NCC[C@H]2CCC[NH2+]2)C1 52212214 166082608 /nfs/dbraw/zinc/08/26/08/166082608.db2.gz YZYUQOUMWXDCRM-SNVBAGLBSA-N 1 3 168.284 1.271 10 0 ADAEHO CC(=[NH2+])Nc1cccc(CN)c1 3826186 166230639 /nfs/dbraw/zinc/23/06/39/166230639.db2.gz XPQAJKGBNGGGQF-UHFFFAOYSA-N 1 3 163.224 1.554 10 0 ADAEHO CC(C)(C)C1CCC(N)(C[NH3+])CC1 35676977 166348672 /nfs/dbraw/zinc/34/86/72/166348672.db2.gz OUKLAEIAHBYXCP-UHFFFAOYSA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)(C)CN1CC[C@]2(CC[NH2+]C2)C1 31994453 166350271 /nfs/dbraw/zinc/35/02/71/166350271.db2.gz YMIGAYLKGMLDLM-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)(C)C[N@@H+]1CCC[C@@H](CN)C1 11888298 166350815 /nfs/dbraw/zinc/35/08/15/166350815.db2.gz WKAJJVURADEUDF-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)(C)C[N@H+]1CCC[C@@H](CN)C1 11888298 166350817 /nfs/dbraw/zinc/35/08/17/166350817.db2.gz WKAJJVURADEUDF-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)(C)CN1CCC[C@@H](C[NH3+])C1 11888298 166350820 /nfs/dbraw/zinc/35/08/20/166350820.db2.gz WKAJJVURADEUDF-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)(C)C[N@@H+]1CCC[C@H](CN)C1 11888300 166351738 /nfs/dbraw/zinc/35/17/38/166351738.db2.gz WKAJJVURADEUDF-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)(C)C[N@H+]1CCC[C@H](CN)C1 11888300 166351740 /nfs/dbraw/zinc/35/17/40/166351740.db2.gz WKAJJVURADEUDF-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)(C)CN1CCC[C@H](C[NH3+])C1 11888300 166351742 /nfs/dbraw/zinc/35/17/42/166351742.db2.gz WKAJJVURADEUDF-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)(C)C[NH+]1CCCNCCC1 49667098 166351946 /nfs/dbraw/zinc/35/19/46/166351946.db2.gz XZFFRYZAQRWPAO-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)(C)CN1CCC[NH2+]CCC1 49667098 166351948 /nfs/dbraw/zinc/35/19/48/166351948.db2.gz XZFFRYZAQRWPAO-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)(C)C[N@@H+]1CC[C@H](CN)C1 40494678 166351994 /nfs/dbraw/zinc/35/19/94/166351994.db2.gz YQGFPQYRDICNNM-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)(C)C[N@H+]1CC[C@H](CN)C1 40494678 166351995 /nfs/dbraw/zinc/35/19/95/166351995.db2.gz YQGFPQYRDICNNM-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)(C)CN1CC[C@@]2(CC[NH2+]C2)C1 31994451 166352038 /nfs/dbraw/zinc/35/20/38/166352038.db2.gz YMIGAYLKGMLDLM-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)(C)C[N@@H+]1CC[C@@H](CN)C1 40494679 166352362 /nfs/dbraw/zinc/35/23/62/166352362.db2.gz YQGFPQYRDICNNM-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)(C)C[N@H+]1CC[C@@H](CN)C1 40494679 166352365 /nfs/dbraw/zinc/35/23/65/166352365.db2.gz YQGFPQYRDICNNM-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)(C)CNCC[C@H]1CCC[NH2+]1 42172345 166353852 /nfs/dbraw/zinc/35/38/52/166353852.db2.gz VUEWBIGMIXOFTR-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)(C)CNCC[C@@H]1CCC[NH2+]1 42172342 166353935 /nfs/dbraw/zinc/35/39/35/166353935.db2.gz VUEWBIGMIXOFTR-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)(C)CNCC[NH2+]C1CC1 40494991 166354498 /nfs/dbraw/zinc/35/44/98/166354498.db2.gz ULLCPKBGOBIYIY-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)(C)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 41051913 166354673 /nfs/dbraw/zinc/35/46/73/166354673.db2.gz WAYJMXMQAZTXCB-FGWVZKOKSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 41051913 166354674 /nfs/dbraw/zinc/35/46/74/166354674.db2.gz WAYJMXMQAZTXCB-FGWVZKOKSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@H](CNC2CC2)C1 53010274 166358626 /nfs/dbraw/zinc/35/86/26/166358626.db2.gz JSLPBCQCXHBHBS-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@H](CNC2CC2)C1 53010274 166358629 /nfs/dbraw/zinc/35/86/29/166358629.db2.gz JSLPBCQCXHBHBS-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)N1CC[C@H](C[NH2+]C2CC2)C1 53010274 166358632 /nfs/dbraw/zinc/35/86/32/166358632.db2.gz JSLPBCQCXHBHBS-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 54627045 166360159 /nfs/dbraw/zinc/36/01/59/166360159.db2.gz JLYHTXBXEPMQMQ-PBINXNQUSA-N 1 3 182.311 1.739 10 0 ADAEHO CC(C)(C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 54627045 166360160 /nfs/dbraw/zinc/36/01/60/166360160.db2.gz JLYHTXBXEPMQMQ-PBINXNQUSA-N 1 3 182.311 1.739 10 0 ADAEHO CC(C)(C)[NH+]1CCCNCCC1 49662971 166360272 /nfs/dbraw/zinc/36/02/72/166360272.db2.gz GRYHXSJHITVTEK-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@@H](CNC2CC2)C1 53010278 166361031 /nfs/dbraw/zinc/36/10/31/166361031.db2.gz JSLPBCQCXHBHBS-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@@H](CNC2CC2)C1 53010278 166361033 /nfs/dbraw/zinc/36/10/33/166361033.db2.gz JSLPBCQCXHBHBS-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)N1CC[C@@H](C[NH2+]C2CC2)C1 53010278 166361035 /nfs/dbraw/zinc/36/10/35/166361035.db2.gz JSLPBCQCXHBHBS-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)NCC[C@@H]1CCC[NH2+]1 42172253 166364805 /nfs/dbraw/zinc/36/48/05/166364805.db2.gz XXNRLXFZNUAEJU-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)(C)NCC[C@H]1CCC[NH2+]1 42172256 166365206 /nfs/dbraw/zinc/36/52/06/166365206.db2.gz XXNRLXFZNUAEJU-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)(C)[NH2+]CCCNC1CCC1 52212434 166366071 /nfs/dbraw/zinc/36/60/71/166366071.db2.gz JZVFSZXGOMSERV-UHFFFAOYSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)(C)[C@H](N)CC[NH+]1CCCC1 26510905 166378359 /nfs/dbraw/zinc/37/83/59/166378359.db2.gz GFQZWMIWCJEFSZ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)[C@H]([NH3+])CCN1CCCC1 26510905 166378361 /nfs/dbraw/zinc/37/83/61/166378361.db2.gz GFQZWMIWCJEFSZ-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)[C@H]([NH3+])CN1CCCCC1 23067238 166379905 /nfs/dbraw/zinc/37/99/05/166379905.db2.gz HBVFNLLTORWUQS-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(CN)[C@@H]([NH3+])c1ccccc1 38434199 166394365 /nfs/dbraw/zinc/39/43/65/166394365.db2.gz WYRPKSLQELDTSV-JTQLQIEISA-N 1 3 178.279 1.671 10 0 ADAEHO CC(C)(CN)C[N@@H+]1C[C@H]2CC[C@@H]1C2 51253120 166394425 /nfs/dbraw/zinc/39/44/25/166394425.db2.gz PWGRQCQPXDCEAK-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)(CN)C[N@H+]1C[C@H]2CC[C@@H]1C2 51253120 166394428 /nfs/dbraw/zinc/39/44/28/166394428.db2.gz PWGRQCQPXDCEAK-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)(C[NH3+])Nc1ccncc1 26480931 166394720 /nfs/dbraw/zinc/39/47/20/166394720.db2.gz HAHFPLIZURZIMK-UHFFFAOYSA-N 1 3 165.240 1.231 10 0 ADAEHO CC(C)(CN)[C@H]([NH3+])c1ccccc1 38434197 166397968 /nfs/dbraw/zinc/39/79/68/166397968.db2.gz WYRPKSLQELDTSV-SNVBAGLBSA-N 1 3 178.279 1.671 10 0 ADAEHO CC(C)(C[NH2+]C1CC1)CN1CCCC1 51208068 166397979 /nfs/dbraw/zinc/39/79/79/166397979.db2.gz MVGYOVBXYFSKIL-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)(CNC1CC1)C[NH+]1CCCC1 51208068 166397982 /nfs/dbraw/zinc/39/79/82/166397982.db2.gz MVGYOVBXYFSKIL-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)CC[NH2+]C1CCNCC1 38040541 166446240 /nfs/dbraw/zinc/44/62/40/166446240.db2.gz CWLGSMSIROEVBR-UHFFFAOYSA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)[NH2+]C(C)(C)C[C@H](C)N 17412010 166536597 /nfs/dbraw/zinc/53/65/97/166536597.db2.gz FAXMAGSAFLZSNW-QMMMGPOBSA-N 1 3 158.289 1.500 10 0 ADAEHO CC(C)N[C@]1(C[NH3+])CCCSC1 61590293 166550487 /nfs/dbraw/zinc/55/04/87/166550487.db2.gz JUWSCIHYNAJAQH-VIFPVBQESA-N 1 3 188.340 1.209 10 0 ADAEHO CC1CC(N[C@H](C)[C@H]2CC[NH2+]C2)C1 307339697 166744780 /nfs/dbraw/zinc/74/47/80/166744780.db2.gz IJWSKPKVVWOYAO-WIFZPCQCSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CC(N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 307339695 166745190 /nfs/dbraw/zinc/74/51/90/166745190.db2.gz IJWSKPKVVWOYAO-LIZLNQBYSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CC[NH+](C[C@H]2CCC[C@H]2N)CC1 53860966 166749097 /nfs/dbraw/zinc/74/90/97/166749097.db2.gz HOHWBXDFDGCTQX-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCC[NH2+]CC[C@H](C)N 40410052 166898056 /nfs/dbraw/zinc/89/80/56/166898056.db2.gz PBWJOWTZONVRFL-QMMMGPOBSA-N 1 3 144.262 1.113 10 0 ADAEHO CCCN(C)CC[C@H]1CCC[NH2+]1 42172007 166942188 /nfs/dbraw/zinc/94/21/88/166942188.db2.gz WNHBPXZHGRGSMX-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[NH2+][C@H](C)CCN(C)CC 43821155 167000589 /nfs/dbraw/zinc/00/05/89/167000589.db2.gz PWSCUZPKUKVDFH-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[NH2+][C@H]1CCN[C@H](C)C1 73657376 167001927 /nfs/dbraw/zinc/00/19/27/167001927.db2.gz RKCVRKGTJLKODB-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCN[C@H]1CCCC[NH2+]C1 54135145 167002292 /nfs/dbraw/zinc/00/22/92/167002292.db2.gz HPWMHIFWLWMONS-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO CCC[NH2+][C@H]1CCN[C@@H](C)C1 73657381 167003683 /nfs/dbraw/zinc/00/36/83/167003683.db2.gz RKCVRKGTJLKODB-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCSCCNCCC[NH3+] 27211419 167023549 /nfs/dbraw/zinc/02/35/49/167023549.db2.gz ZFQDTSCSEAESJH-UHFFFAOYSA-N 1 3 176.329 1.068 10 0 ADAEHO CCCSCC[NH2+]CCCN 27211419 167023552 /nfs/dbraw/zinc/02/35/52/167023552.db2.gz ZFQDTSCSEAESJH-UHFFFAOYSA-N 1 3 176.329 1.068 10 0 ADAEHO CCC[C@@H](C)C[N@H+](C)CCCN 51297681 167028558 /nfs/dbraw/zinc/02/85/58/167028558.db2.gz KLQYIANFCMFHRV-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@H](C)C[N@@H+](C)CCCN 51297681 167028561 /nfs/dbraw/zinc/02/85/61/167028561.db2.gz KLQYIANFCMFHRV-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@H](C)CN(C)CCC[NH3+] 51297681 167028564 /nfs/dbraw/zinc/02/85/64/167028564.db2.gz KLQYIANFCMFHRV-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@H](C)C[NH2+]CCCNC 83340138 167030224 /nfs/dbraw/zinc/03/02/24/167030224.db2.gz XFQDFPARHSQGOF-SNVBAGLBSA-N 1 3 172.316 1.622 10 0 ADAEHO CCC[C@@H](C)CN(C)C[C@@H](C)C(N)=[NH2+] 51320857 167030643 /nfs/dbraw/zinc/03/06/43/167030643.db2.gz BALPDRONLIQWNE-NXEZZACHSA-N 1 3 199.342 1.926 10 0 ADAEHO CCC[C@@H](C)C[NH+]1CCC(N)CC1 49954043 167030683 /nfs/dbraw/zinc/03/06/83/167030683.db2.gz KKKXWTLQUKCTLA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C)CN1CCC([NH3+])CC1 49954043 167030686 /nfs/dbraw/zinc/03/06/86/167030686.db2.gz KKKXWTLQUKCTLA-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C)CN(C)CCC(N)=[NH2+] 51320846 167030707 /nfs/dbraw/zinc/03/07/07/167030707.db2.gz YDTTVOGEVOCTGG-SECBINFHSA-N 1 3 185.315 1.680 10 0 ADAEHO CCC[C@@H](C)C[N@H+](C)C[C@@H](C)CN 51297832 167030860 /nfs/dbraw/zinc/03/08/60/167030860.db2.gz GMUPABBXJHFFIU-MNOVXSKESA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@@H](C)C[N@@H+](C)C[C@@H](C)CN 51297832 167030862 /nfs/dbraw/zinc/03/08/62/167030862.db2.gz GMUPABBXJHFFIU-MNOVXSKESA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@@H](C)[NH+]1CCC(N)CC1 19473121 167031173 /nfs/dbraw/zinc/03/11/73/167031173.db2.gz ZDZMLXGLYCRCJJ-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](C)N1CCC([NH3+])CC1 19473121 167031176 /nfs/dbraw/zinc/03/11/76/167031176.db2.gz ZDZMLXGLYCRCJJ-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CC[C@@H](CN)C1 19430333 167031633 /nfs/dbraw/zinc/03/16/33/167031633.db2.gz GOBKASBERBCZDS-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CC[C@@H](CN)C1 19430333 167031634 /nfs/dbraw/zinc/03/16/34/167031634.db2.gz GOBKASBERBCZDS-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)CCCNC 42409623 167031969 /nfs/dbraw/zinc/03/19/69/167031969.db2.gz DVEMITZGQCWEGZ-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)CCCNC 42409623 167031971 /nfs/dbraw/zinc/03/19/71/167031971.db2.gz DVEMITZGQCWEGZ-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[C@@H](C)N(C)CCC[NH2+]C 42409623 167031974 /nfs/dbraw/zinc/03/19/74/167031974.db2.gz DVEMITZGQCWEGZ-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CC[C@H](CN)C1 34651168 167032032 /nfs/dbraw/zinc/03/20/32/167032032.db2.gz GOBKASBERBCZDS-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CC[C@H](CN)C1 34651168 167032033 /nfs/dbraw/zinc/03/20/33/167032033.db2.gz GOBKASBERBCZDS-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](C)[N@@H+]1CC[C@H](NC)C1 37241031 167032455 /nfs/dbraw/zinc/03/24/55/167032455.db2.gz HRRPJHJABVCURR-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@@H](C)[N@H+]1CC[C@H](NC)C1 37241031 167032458 /nfs/dbraw/zinc/03/24/58/167032458.db2.gz HRRPJHJABVCURR-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@@H](C)N1CCC([NH2+]C)CC1 37241042 167033256 /nfs/dbraw/zinc/03/32/56/167033256.db2.gz VIFYLUSLGYPUGT-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H](C)[NH+]1CCC(NC)CC1 37241042 167033258 /nfs/dbraw/zinc/03/32/58/167033258.db2.gz VIFYLUSLGYPUGT-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H](C)N1CC[C@H]([NH3+])C1 37241046 167033365 /nfs/dbraw/zinc/03/33/65/167033365.db2.gz SWTPZMPXDZOYIZ-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@H](C)[NH+]1CCCNCCC1 49663954 167033840 /nfs/dbraw/zinc/03/38/40/167033840.db2.gz ZJELJCIUPOUJLF-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@@H](C)[NH2+]CCCN 37713409 167036400 /nfs/dbraw/zinc/03/64/00/167036400.db2.gz AYTJXMVXSTXBEN-MRVPVSSYSA-N 1 3 144.262 1.113 10 0 ADAEHO CCC[C@@H](CC)[NH+]1CCC(N)CC1 50404947 167037835 /nfs/dbraw/zinc/03/78/35/167037835.db2.gz LKRYYQVIGIHTBL-LLVKDONJSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H](CC)N1CCC([NH3+])CC1 50404947 167037840 /nfs/dbraw/zinc/03/78/40/167037840.db2.gz LKRYYQVIGIHTBL-LLVKDONJSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H]([NH3+])CN[C@H]1CC1(C)C 45137927 167043404 /nfs/dbraw/zinc/04/34/04/167043404.db2.gz VVHCZSUCSPATSQ-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@@H](N)C[N@H+](C)CC 36873623 167043476 /nfs/dbraw/zinc/04/34/76/167043476.db2.gz UGJUADDZMMFFIA-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[C@@H](N)C[N@@H+](C)CC 36873623 167043477 /nfs/dbraw/zinc/04/34/77/167043477.db2.gz UGJUADDZMMFFIA-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[C@@H]([NH3+])CNC1CCC1 52212370 167044717 /nfs/dbraw/zinc/04/47/17/167044717.db2.gz GLFIDOODSPLVLR-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)C 59521338 167044841 /nfs/dbraw/zinc/04/48/41/167044841.db2.gz ZLNYAYUHRGEPKE-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[C@@H](N)C[NH2+]CCc1ccco1 42594398 167044936 /nfs/dbraw/zinc/04/49/36/167044936.db2.gz SZTRHSIVOGDJSN-SNVBAGLBSA-N 1 3 196.294 1.539 10 0 ADAEHO CCC[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137923 167045466 /nfs/dbraw/zinc/04/54/66/167045466.db2.gz VVHCZSUCSPATSQ-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@@H](N)C[NH2+]Cc1ccccc1 40409790 167045629 /nfs/dbraw/zinc/04/56/29/167045629.db2.gz VGIKMTSWIKGMNX-GFCCVEGCSA-N 1 3 192.306 1.904 10 0 ADAEHO CCC[C@@H]([NH3+])CN1CCC[C@@H]1C 37911207 167045844 /nfs/dbraw/zinc/04/58/44/167045844.db2.gz ZAMMRPQSNBKLCJ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](N)[C@H](CC)[NH+](C)C 19266098 167047148 /nfs/dbraw/zinc/04/71/48/167047148.db2.gz QYCNDSRONDZJDX-BDAKNGLRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H](CC)CN 75529732 167047959 /nfs/dbraw/zinc/04/79/59/167047959.db2.gz DIKQYXQNRSMPGZ-JGVFFNPUSA-N 1 3 144.262 1.099 10 0 ADAEHO CCC[C@@H](N)[C@@H](CC)[NH+](C)C 19266094 167048104 /nfs/dbraw/zinc/04/81/04/167048104.db2.gz QYCNDSRONDZJDX-RKDXNWHRSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H](CC)N1CCCC1 19281421 167048212 /nfs/dbraw/zinc/04/82/12/167048212.db2.gz QAFMKQBXRCKXFZ-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H](CC)CN 75529738 167048846 /nfs/dbraw/zinc/04/88/46/167048846.db2.gz DIKQYXQNRSMPGZ-HTQZYQBOSA-N 1 3 144.262 1.099 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H](CC)N1CCCC1 19281417 167049009 /nfs/dbraw/zinc/04/90/09/167049009.db2.gz QAFMKQBXRCKXFZ-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H]1CC[C@@H](N)[C@H]([NH+](C)C)C1 37743091 167053562 /nfs/dbraw/zinc/05/35/62/167053562.db2.gz MDKHKFVNDRIHGU-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H]1CC[C@H](N)[C@H]([NH+](C)C)C1 37743089 167053835 /nfs/dbraw/zinc/05/38/35/167053835.db2.gz MDKHKFVNDRIHGU-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@](C)([NH3+])CN[C@@H]1CC1(C)C 45137988 167057653 /nfs/dbraw/zinc/05/76/53/167057653.db2.gz QGCYSYKSFQNHEU-MWLCHTKSSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@](C)(C[NH3+])CN(C)C 51214404 167058051 /nfs/dbraw/zinc/05/80/51/167058051.db2.gz XVNQNDDNOIUYJR-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@@](C)(CN)C[NH+](C)C 51214404 167058054 /nfs/dbraw/zinc/05/80/54/167058054.db2.gz XVNQNDDNOIUYJR-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@@](C)([NH3+])CN1CCC[C@@H]1C 37911225 167058272 /nfs/dbraw/zinc/05/82/72/167058272.db2.gz ISPMFFLBUAQLPI-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@](C)([NH3+])CN[C@H]1CC1(C)C 45137992 167058446 /nfs/dbraw/zinc/05/84/46/167058446.db2.gz QGCYSYKSFQNHEU-GXSJLCMTSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@](C)([NH3+])CNC1CCC1 52212430 167059465 /nfs/dbraw/zinc/05/94/65/167059465.db2.gz QGQIETSORUUXQT-SNVBAGLBSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@@](C)(N)C[NH+]1CCCCC1 37480874 167060124 /nfs/dbraw/zinc/06/01/24/167060124.db2.gz CSYNSXZAPWVLRJ-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCC[C@@](C)(C[NH3+])CN(C)CC 51214958 167060235 /nfs/dbraw/zinc/06/02/35/167060235.db2.gz IQUFJEQKDUINNJ-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@@](C)(C[NH2+]C)CN(C)CC 51214928 167060244 /nfs/dbraw/zinc/06/02/44/167060244.db2.gz WMDLYMFHBCGKGA-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@@](C)([NH3+])CNCC 40409387 167060427 /nfs/dbraw/zinc/06/04/27/167060427.db2.gz ZMFZLMVUDXQIFT-MRVPVSSYSA-N 1 3 144.262 1.113 10 0 ADAEHO CCC[C@@]12CC[C@@H](C[C@H](N)[C@@H]1C)[NH2+]2 83418066 167062374 /nfs/dbraw/zinc/06/23/74/167062374.db2.gz WKRMEBOKJMMZBY-XWLWVQCSSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@@]1(C[NH3+])CCN(C)C1 77261032 167062511 /nfs/dbraw/zinc/06/25/11/167062511.db2.gz GUOBGHWFPGGLMA-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO CCC[C@@]1(CN)CC[N@H+](C)C1 77261032 167062516 /nfs/dbraw/zinc/06/25/16/167062516.db2.gz GUOBGHWFPGGLMA-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO CCC[C@@]1(CN)CC[N@@H+](C)C1 77261032 167062518 /nfs/dbraw/zinc/06/25/18/167062518.db2.gz GUOBGHWFPGGLMA-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO CCC[C@@]1(C[NH3+])CCCN(C)C1 77264108 167062698 /nfs/dbraw/zinc/06/26/98/167062698.db2.gz HZVUXADEVYXQIC-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@@]1(CN)CCC[N@H+](C)C1 77264108 167062701 /nfs/dbraw/zinc/06/27/01/167062701.db2.gz HZVUXADEVYXQIC-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@@]1(CN)CCC[N@@H+](C)C1 77264108 167062706 /nfs/dbraw/zinc/06/27/06/167062706.db2.gz HZVUXADEVYXQIC-JTQLQIEISA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@H](C)CN(C)C[C@@H](C)C(N)=[NH2+] 51320858 167063679 /nfs/dbraw/zinc/06/36/79/167063679.db2.gz BALPDRONLIQWNE-VHSXEESVSA-N 1 3 199.342 1.926 10 0 ADAEHO CCC[C@H](C)C[N@H+](C)C[C@@H](C)CN 51297833 167063848 /nfs/dbraw/zinc/06/38/48/167063848.db2.gz GMUPABBXJHFFIU-QWRGUYRKSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@H](C)C[N@@H+](C)C[C@@H](C)CN 51297833 167063850 /nfs/dbraw/zinc/06/38/50/167063850.db2.gz GMUPABBXJHFFIU-QWRGUYRKSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@H](C)CN(C)CCC(N)=[NH2+] 51320848 167064198 /nfs/dbraw/zinc/06/41/98/167064198.db2.gz YDTTVOGEVOCTGG-VIFPVBQESA-N 1 3 185.315 1.680 10 0 ADAEHO CCC[C@H](C)C[NH2+]CCCNC 83340139 167064677 /nfs/dbraw/zinc/06/46/77/167064677.db2.gz XFQDFPARHSQGOF-JTQLQIEISA-N 1 3 172.316 1.622 10 0 ADAEHO CCC[C@H](C)C[NH+]1CCC(N)CC1 49954044 167064722 /nfs/dbraw/zinc/06/47/22/167064722.db2.gz KKKXWTLQUKCTLA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C)CN1CCC([NH3+])CC1 49954044 167064726 /nfs/dbraw/zinc/06/47/26/167064726.db2.gz KKKXWTLQUKCTLA-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C)C[N@H+](C)CCCN 51297683 167064915 /nfs/dbraw/zinc/06/49/15/167064915.db2.gz KLQYIANFCMFHRV-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](C)C[N@@H+](C)CCCN 51297683 167064917 /nfs/dbraw/zinc/06/49/17/167064917.db2.gz KLQYIANFCMFHRV-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](C)CN(C)CCC[NH3+] 51297683 167064921 /nfs/dbraw/zinc/06/49/21/167064921.db2.gz KLQYIANFCMFHRV-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@H](C)[NH+]1CCC(N)CC1 19473123 167066159 /nfs/dbraw/zinc/06/61/59/167066159.db2.gz ZDZMLXGLYCRCJJ-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@H](C)N1CCC([NH3+])CC1 19473123 167066160 /nfs/dbraw/zinc/06/61/60/167066160.db2.gz ZDZMLXGLYCRCJJ-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@H](C)[N@H+](C)CCCNC 42409624 167066863 /nfs/dbraw/zinc/06/68/63/167066863.db2.gz DVEMITZGQCWEGZ-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)CCCNC 42409624 167066866 /nfs/dbraw/zinc/06/68/66/167066866.db2.gz DVEMITZGQCWEGZ-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[C@H](C)N(C)CCC[NH2+]C 42409624 167066868 /nfs/dbraw/zinc/06/68/68/167066868.db2.gz DVEMITZGQCWEGZ-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[C@H](C)[NH+]1CCCNCCC1 49663956 167066969 /nfs/dbraw/zinc/06/69/69/167066969.db2.gz ZJELJCIUPOUJLF-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@H](C)N1CC[C@H]([NH3+])C1 37241048 167067389 /nfs/dbraw/zinc/06/73/89/167067389.db2.gz SWTPZMPXDZOYIZ-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@H](CN)C1 34651169 167067931 /nfs/dbraw/zinc/06/79/31/167067931.db2.gz GOBKASBERBCZDS-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@H](CN)C1 34651169 167067932 /nfs/dbraw/zinc/06/79/32/167067932.db2.gz GOBKASBERBCZDS-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)N1CCC([NH2+]C)CC1 37241044 167068600 /nfs/dbraw/zinc/06/86/00/167068600.db2.gz VIFYLUSLGYPUGT-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H](C)[NH+]1CCC(NC)CC1 37241044 167068603 /nfs/dbraw/zinc/06/86/03/167068603.db2.gz VIFYLUSLGYPUGT-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@H](NC)C1 37241033 167068771 /nfs/dbraw/zinc/06/87/71/167068771.db2.gz HRRPJHJABVCURR-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@H](NC)C1 37241033 167068773 /nfs/dbraw/zinc/06/87/73/167068773.db2.gz HRRPJHJABVCURR-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@@H](CN)C1 19430335 167068797 /nfs/dbraw/zinc/06/87/97/167068797.db2.gz GOBKASBERBCZDS-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@@H](CN)C1 19430335 167068799 /nfs/dbraw/zinc/06/87/99/167068799.db2.gz GOBKASBERBCZDS-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)[NH2+]CCCN 37713410 167070646 /nfs/dbraw/zinc/07/06/46/167070646.db2.gz AYTJXMVXSTXBEN-QMMMGPOBSA-N 1 3 144.262 1.113 10 0 ADAEHO CCC[C@H](CC)[NH+]1CCC(N)CC1 50404950 167075324 /nfs/dbraw/zinc/07/53/24/167075324.db2.gz LKRYYQVIGIHTBL-NSHDSACASA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H](CC)N1CCC([NH3+])CC1 50404950 167075326 /nfs/dbraw/zinc/07/53/26/167075326.db2.gz LKRYYQVIGIHTBL-NSHDSACASA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)C 59521337 167079273 /nfs/dbraw/zinc/07/92/73/167079273.db2.gz ZLNYAYUHRGEPKE-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[C@H](N)C[N@H+](C)CC 36873622 167079772 /nfs/dbraw/zinc/07/97/72/167079772.db2.gz UGJUADDZMMFFIA-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[C@H](N)C[N@@H+](C)CC 36873622 167079774 /nfs/dbraw/zinc/07/97/74/167079774.db2.gz UGJUADDZMMFFIA-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CCC[C@H]([NH3+])CNC1CCC1 52212367 167081158 /nfs/dbraw/zinc/08/11/58/167081158.db2.gz GLFIDOODSPLVLR-QMMMGPOBSA-N 1 3 156.273 1.256 10 0 ADAEHO CCC[C@H](N)[C@@H](CC)[NH+](C)C 19266096 167081761 /nfs/dbraw/zinc/08/17/61/167081761.db2.gz QYCNDSRONDZJDX-DTWKUNHWSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[C@H]([NH3+])[C@H](CC)CN 75529735 167082032 /nfs/dbraw/zinc/08/20/32/167082032.db2.gz DIKQYXQNRSMPGZ-SFYZADRCSA-N 1 3 144.262 1.099 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137921 167082625 /nfs/dbraw/zinc/08/26/25/167082625.db2.gz VVHCZSUCSPATSQ-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H]([NH3+])[C@H](CC)N1CCCC1 19281423 167082966 /nfs/dbraw/zinc/08/29/66/167082966.db2.gz QAFMKQBXRCKXFZ-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H]([NH3+])CN[C@H]1CC1(C)C 45137925 167083091 /nfs/dbraw/zinc/08/30/91/167083091.db2.gz VVHCZSUCSPATSQ-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H](CC)N1CCCC1 19281419 167083191 /nfs/dbraw/zinc/08/31/91/167083191.db2.gz QAFMKQBXRCKXFZ-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H](N)[C@H](CC)[NH+](C)C 19266100 167083392 /nfs/dbraw/zinc/08/33/92/167083392.db2.gz QYCNDSRONDZJDX-IUCAKERBSA-N 1 3 158.289 1.454 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H](CC)CN 75529730 167083468 /nfs/dbraw/zinc/08/34/68/167083468.db2.gz DIKQYXQNRSMPGZ-YUMQZZPRSA-N 1 3 144.262 1.099 10 0 ADAEHO CCC[C@H](N)C[NH2+]Cc1ccccc1 40409786 167083499 /nfs/dbraw/zinc/08/34/99/167083499.db2.gz VGIKMTSWIKGMNX-LBPRGKRZSA-N 1 3 192.306 1.904 10 0 ADAEHO CCC[C@H](N)C[NH2+]CCc1ccco1 42594395 167083718 /nfs/dbraw/zinc/08/37/18/167083718.db2.gz SZTRHSIVOGDJSN-JTQLQIEISA-N 1 3 196.294 1.539 10 0 ADAEHO CCC[C@H]([NH3+])CN1CCC[C@@H]1C 37911206 167083844 /nfs/dbraw/zinc/08/38/44/167083844.db2.gz ZAMMRPQSNBKLCJ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@H]1CN(C)CC[C@H]1[NH3+] 6780158 167089238 /nfs/dbraw/zinc/08/92/38/167089238.db2.gz VNUDFYNTLXVVQI-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@](C)(C[NH3+])CN(C)CC 51214959 167092451 /nfs/dbraw/zinc/09/24/51/167092451.db2.gz IQUFJEQKDUINNJ-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CCC[C@](C)(N)C[NH+]1CCCCC1 37480873 167092648 /nfs/dbraw/zinc/09/26/48/167092648.db2.gz CSYNSXZAPWVLRJ-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CCC[C@](C)(C[NH2+]C)CN(C)CC 51214929 167092700 /nfs/dbraw/zinc/09/27/00/167092700.db2.gz WMDLYMFHBCGKGA-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCC[C@](C)(C[NH3+])CN(C)C 51214405 167092979 /nfs/dbraw/zinc/09/29/79/167092979.db2.gz XVNQNDDNOIUYJR-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@](C)(CN)C[NH+](C)C 51214405 167092983 /nfs/dbraw/zinc/09/29/83/167092983.db2.gz XVNQNDDNOIUYJR-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CCC[C@](C)([NH3+])CN[C@@H]1CC1(C)C 45137986 167092995 /nfs/dbraw/zinc/09/29/95/167092995.db2.gz QGCYSYKSFQNHEU-KOLCDFICSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@](C)([NH3+])CN1CCC[C@@H]1C 37911224 167093020 /nfs/dbraw/zinc/09/30/20/167093020.db2.gz ISPMFFLBUAQLPI-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@](C)([NH3+])CNC1CCC1 52212427 167093800 /nfs/dbraw/zinc/09/38/00/167093800.db2.gz QGQIETSORUUXQT-JTQLQIEISA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@](C)([NH3+])CN[C@H]1CC1(C)C 45137990 167094523 /nfs/dbraw/zinc/09/45/23/167094523.db2.gz QGCYSYKSFQNHEU-ONGXEEELSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@](C)([NH3+])CNCC 40409383 167094683 /nfs/dbraw/zinc/09/46/83/167094683.db2.gz ZMFZLMVUDXQIFT-QMMMGPOBSA-N 1 3 144.262 1.113 10 0 ADAEHO CCC[C@]1(C[NH3+])CCCN(C)C1 77264105 167095613 /nfs/dbraw/zinc/09/56/13/167095613.db2.gz HZVUXADEVYXQIC-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@]1(CN)CCC[N@H+](C)C1 77264105 167095616 /nfs/dbraw/zinc/09/56/16/167095616.db2.gz HZVUXADEVYXQIC-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@]1(CN)CCC[N@@H+](C)C1 77264105 167095618 /nfs/dbraw/zinc/09/56/18/167095618.db2.gz HZVUXADEVYXQIC-SNVBAGLBSA-N 1 3 170.300 1.457 10 0 ADAEHO CCC[C@]1(C[NH3+])CCN(C)C1 77261030 167097098 /nfs/dbraw/zinc/09/70/98/167097098.db2.gz GUOBGHWFPGGLMA-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO CCC[C@]1(CN)CC[N@H+](C)C1 77261030 167097100 /nfs/dbraw/zinc/09/71/00/167097100.db2.gz GUOBGHWFPGGLMA-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO CCC[C@]1(CN)CC[N@@H+](C)C1 77261030 167097102 /nfs/dbraw/zinc/09/71/02/167097102.db2.gz GUOBGHWFPGGLMA-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCC[C@@H]1CN 37159295 167129543 /nfs/dbraw/zinc/12/95/43/167129543.db2.gz NUFFWTIKTRCKCF-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1CN 37159295 167129546 /nfs/dbraw/zinc/12/95/46/167129546.db2.gz NUFFWTIKTRCKCF-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C(C)C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40747533 167130170 /nfs/dbraw/zinc/13/01/70/167130170.db2.gz VWRVYOYSCUSCHV-FOSCPWQOSA-N 1 3 196.338 2.000 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1CN 37159293 167131067 /nfs/dbraw/zinc/13/10/67/167131067.db2.gz NUFFWTIKTRCKCF-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1CN 37159293 167131070 /nfs/dbraw/zinc/13/10/70/167131070.db2.gz NUFFWTIKTRCKCF-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C)CC[C@@H]1CCCC[NH2+]1 37078958 167138845 /nfs/dbraw/zinc/13/88/45/167138845.db2.gz DLVMZBKCLFLJKA-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 42372289 167139153 /nfs/dbraw/zinc/13/91/53/167139153.db2.gz CZRCYFJZPVYWAO-ULKQDVFKSA-N 1 3 168.284 1.221 10 0 ADAEHO CCN(CC)CCC[N@H+](C)CC 5311339 167139407 /nfs/dbraw/zinc/13/94/07/167139407.db2.gz JEJXRPUBAZZVRA-UHFFFAOYSA-N 1 3 172.316 1.670 10 0 ADAEHO CCN(CC)CCC[N@@H+](C)CC 5311339 167139408 /nfs/dbraw/zinc/13/94/08/167139408.db2.gz JEJXRPUBAZZVRA-UHFFFAOYSA-N 1 3 172.316 1.670 10 0 ADAEHO CCN(C)CC(CC)(CC)C[NH2+]C 51214968 167139762 /nfs/dbraw/zinc/13/97/62/167139762.db2.gz FASMJCVDECEJMF-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CCN(C)CC(C)(C)[C@H](C)[NH3+] 17499184 167139885 /nfs/dbraw/zinc/13/98/85/167139885.db2.gz PMFABNNEIGOJSS-QMMMGPOBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@H+](C)CC(C)(C)[C@H](C)N 17499184 167139887 /nfs/dbraw/zinc/13/98/87/167139887.db2.gz PMFABNNEIGOJSS-QMMMGPOBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@@H+](C)CC(C)(C)[C@H](C)N 17499184 167139890 /nfs/dbraw/zinc/13/98/90/167139890.db2.gz PMFABNNEIGOJSS-QMMMGPOBSA-N 1 3 158.289 1.312 10 0 ADAEHO CCN(C)CC(CC)(CC)C[NH3+] 51214950 167139958 /nfs/dbraw/zinc/13/99/58/167139958.db2.gz PHTQRZVUUHMXLZ-UHFFFAOYSA-N 1 3 172.316 1.703 10 0 ADAEHO CCN(C)CC[C@H]1CCCC[NH2+]1 37078959 167140265 /nfs/dbraw/zinc/14/02/65/167140265.db2.gz DLVMZBKCLFLJKA-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCN(C)CC1(C[NH3+])CCCCC1 51214951 167140385 /nfs/dbraw/zinc/14/03/85/167140385.db2.gz VAVQOSLFBWWBSN-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO CCN(C)CC(C)(C)C[NH2+]C 51214961 167140446 /nfs/dbraw/zinc/14/04/46/167140446.db2.gz QFMCFSLDXQEEEM-UHFFFAOYSA-N 1 3 158.289 1.184 10 0 ADAEHO CCN(C)CC[C@@H]1CCC[NH2+]1 42171970 167141327 /nfs/dbraw/zinc/14/13/27/167141327.db2.gz BMHFYGLTKSHIBQ-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+](C)CC1(N)CCCCC1 37078981 167141411 /nfs/dbraw/zinc/14/14/11/167141411.db2.gz SEFUJEOENOCTLZ-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC[N@@H+](C)CC1(N)CCCCC1 37078981 167141413 /nfs/dbraw/zinc/14/14/13/167141413.db2.gz SEFUJEOENOCTLZ-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CCN(C)CC1(C[NH2+]C)CCCC1 51214942 167141547 /nfs/dbraw/zinc/14/15/47/167141547.db2.gz KIFSNKOUZDBJJQ-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCN(C)CC(C)(C)[C@@H](C)[NH3+] 17499182 167141759 /nfs/dbraw/zinc/14/17/59/167141759.db2.gz PMFABNNEIGOJSS-MRVPVSSYSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@H+](C)CC(C)(C)[C@@H](C)N 17499182 167141764 /nfs/dbraw/zinc/14/17/64/167141764.db2.gz PMFABNNEIGOJSS-MRVPVSSYSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[N@@H+](C)CC(C)(C)[C@@H](C)N 17499182 167141767 /nfs/dbraw/zinc/14/17/67/167141767.db2.gz PMFABNNEIGOJSS-MRVPVSSYSA-N 1 3 158.289 1.312 10 0 ADAEHO CCN(C)CC(C)(C)C[NH2+]C(C)C 51214964 167141917 /nfs/dbraw/zinc/14/19/17/167141917.db2.gz RORYEBZRIZLMDY-UHFFFAOYSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[N@H+](C)CC1(N)CCCC1 37479596 167142138 /nfs/dbraw/zinc/14/21/38/167142138.db2.gz GTFXNURHQXVJKA-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CC[N@@H+](C)CC1(N)CCCC1 37479596 167142139 /nfs/dbraw/zinc/14/21/39/167142139.db2.gz GTFXNURHQXVJKA-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CCN(C)CC[C@H]1CCC[NH2+]1 42171972 167142758 /nfs/dbraw/zinc/14/27/58/167142758.db2.gz BMHFYGLTKSHIBQ-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCN(C)CC(C)(C)C[NH2+]C1CC1 51214965 167142872 /nfs/dbraw/zinc/14/28/72/167142872.db2.gz YVVFRXRBFUBJIP-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](C)CC(C)(C)CNC1CC1 51214965 167142874 /nfs/dbraw/zinc/14/28/74/167142874.db2.gz YVVFRXRBFUBJIP-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+](C)CC(C)(C)CNC1CC1 51214965 167142876 /nfs/dbraw/zinc/14/28/76/167142876.db2.gz YVVFRXRBFUBJIP-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(C)CC1(C[NH3+])CCCC1 51214960 167142956 /nfs/dbraw/zinc/14/29/56/167142956.db2.gz VDYBVNOPGOEFAW-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO CCN(C)C[C@H]1CCCC[C@@H]1[NH3+] 60744022 167143394 /nfs/dbraw/zinc/14/33/94/167143394.db2.gz ZXIJBRDSYKKKNK-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(C)C[C@@](C)(CC)C[NH3+] 51214956 167143421 /nfs/dbraw/zinc/14/34/21/167143421.db2.gz LEBAVZAKFRKOSZ-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CCN(C)C[C@@](C)(CC)C[NH2+]C 51215010 167143444 /nfs/dbraw/zinc/14/34/44/167143444.db2.gz RHKZATQZBQCPKO-JTQLQIEISA-N 1 3 172.316 1.574 10 0 ADAEHO CCN(C)C[C@@H]1CCC[C@@H]1[NH2+]C 53865258 167143780 /nfs/dbraw/zinc/14/37/80/167143780.db2.gz HDMGJJCUNIITFP-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN(C)C[C@](C)(CC)C[NH3+] 51214957 167143792 /nfs/dbraw/zinc/14/37/92/167143792.db2.gz LEBAVZAKFRKOSZ-SECBINFHSA-N 1 3 158.289 1.313 10 0 ADAEHO CC[N@H+](C)C[C@@](C)(N)C1CC1 37479199 167144735 /nfs/dbraw/zinc/14/47/35/167144735.db2.gz JDJDKICCUNACCI-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)C[C@@](C)(N)C1CC1 37479199 167144736 /nfs/dbraw/zinc/14/47/36/167144736.db2.gz JDJDKICCUNACCI-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)Cc1occc1C[NH3+] 52446040 167145787 /nfs/dbraw/zinc/14/57/87/167145787.db2.gz DOLOHAPDJWVFII-UHFFFAOYSA-N 1 3 168.240 1.190 10 0 ADAEHO CCN(C)C[C@H]1CCCCC[C@@H]1[NH3+] 53865262 167145796 /nfs/dbraw/zinc/14/57/96/167145796.db2.gz OKWYRZGIHZESHZ-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C)Cc1cc(C[NH3+])c(C)o1 52446038 167145809 /nfs/dbraw/zinc/14/58/09/167145809.db2.gz BMXRZURRNOVZPS-UHFFFAOYSA-N 1 3 182.267 1.498 10 0 ADAEHO CCN(C)C[C@@H]1CCC[C@@H]1[NH3+] 53865254 167146407 /nfs/dbraw/zinc/14/64/07/167146407.db2.gz UGAVWULJOSYEJJ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+](C)C[C@](C)(N)C1CC1 37479198 167146471 /nfs/dbraw/zinc/14/64/71/167146471.db2.gz JDJDKICCUNACCI-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)C[C@](C)(N)C1CC1 37479198 167146473 /nfs/dbraw/zinc/14/64/73/167146473.db2.gz JDJDKICCUNACCI-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)C[C@](C)(CC)C[NH2+]C 51215011 167146528 /nfs/dbraw/zinc/14/65/28/167146528.db2.gz RHKZATQZBQCPKO-SNVBAGLBSA-N 1 3 172.316 1.574 10 0 ADAEHO CCN(C)C[C@H]1CCCC[C@@H]1[NH2+]C 60744027 167146671 /nfs/dbraw/zinc/14/66/71/167146671.db2.gz IXZZECDATZMYLM-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCC[C@@H]1CN 37159144 167146805 /nfs/dbraw/zinc/14/68/05/167146805.db2.gz VBBOXWWWMNSAHV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCC[C@@H]1CN 37159144 167146806 /nfs/dbraw/zinc/14/68/06/167146806.db2.gz VBBOXWWWMNSAHV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)[C@@H]1CCC[C@@H]1C[NH3+] 37159144 167146809 /nfs/dbraw/zinc/14/68/09/167146809.db2.gz VBBOXWWWMNSAHV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)C[C@H]1CCC[C@@H]1[NH2+]C 53865260 167146947 /nfs/dbraw/zinc/14/69/47/167146947.db2.gz HDMGJJCUNIITFP-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN(C)C[C@@H]1CCCC[C@@H]1[NH2+]C 60744025 167147161 /nfs/dbraw/zinc/14/71/61/167147161.db2.gz IXZZECDATZMYLM-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCCCC[C@@H]1CN 37159136 167147188 /nfs/dbraw/zinc/14/71/88/167147188.db2.gz VAKSMEGAXINFTG-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCCCC[C@@H]1CN 37159136 167147190 /nfs/dbraw/zinc/14/71/90/167147190.db2.gz VAKSMEGAXINFTG-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C)C[C@H]1CCC[C@@H]1[NH3+] 53865256 167147220 /nfs/dbraw/zinc/14/72/20/167147220.db2.gz UGAVWULJOSYEJJ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)C[C@@H]1CCCCC[C@@H]1[NH3+] 53865261 167147320 /nfs/dbraw/zinc/14/73/20/167147320.db2.gz OKWYRZGIHZESHZ-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCCC[C@@H]1CN 37159140 167147415 /nfs/dbraw/zinc/14/74/15/167147415.db2.gz UEBQCLSYGSAHOL-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 37159140 167147419 /nfs/dbraw/zinc/14/74/19/167147419.db2.gz UEBQCLSYGSAHOL-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(C)C[C@@H]1CCCC[C@@H]1[NH3+] 60744021 167147947 /nfs/dbraw/zinc/14/79/47/167147947.db2.gz ZXIJBRDSYKKKNK-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(C)Cc1cc(C[NH3+])co1 52446175 167147971 /nfs/dbraw/zinc/14/79/71/167147971.db2.gz DISBYHKMKYYCFW-UHFFFAOYSA-N 1 3 168.240 1.190 10 0 ADAEHO CC[N@H+](C)[C@H]1CCCC[C@@H]1CN 37159142 167148690 /nfs/dbraw/zinc/14/86/90/167148690.db2.gz UEBQCLSYGSAHOL-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCCC[C@@H]1CN 37159142 167148694 /nfs/dbraw/zinc/14/86/94/167148694.db2.gz UEBQCLSYGSAHOL-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+](C)[C@H]1CCCCC[C@@H]1CN 37159138 167149373 /nfs/dbraw/zinc/14/93/73/167149373.db2.gz VAKSMEGAXINFTG-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCCCC[C@@H]1CN 37159138 167149375 /nfs/dbraw/zinc/14/93/75/167149375.db2.gz VAKSMEGAXINFTG-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](C)[C@H]1CCC[C@@H]1CN 37159146 167149910 /nfs/dbraw/zinc/14/99/10/167149910.db2.gz VBBOXWWWMNSAHV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCC[C@@H]1CN 37159146 167149913 /nfs/dbraw/zinc/14/99/13/167149913.db2.gz VBBOXWWWMNSAHV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)[C@H]1CCC[C@@H]1C[NH3+] 37159146 167149915 /nfs/dbraw/zinc/14/99/15/167149915.db2.gz VBBOXWWWMNSAHV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CCC[C@@H]1CN 37159191 167152889 /nfs/dbraw/zinc/15/28/89/167152889.db2.gz ZVVAMILCXIJITE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1CN 37159191 167152894 /nfs/dbraw/zinc/15/28/94/167152894.db2.gz ZVVAMILCXIJITE-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1CN 37159187 167153400 /nfs/dbraw/zinc/15/34/00/167153400.db2.gz WNZCCFJKOKZGOR-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1CN 37159187 167153402 /nfs/dbraw/zinc/15/34/02/167153402.db2.gz WNZCCFJKOKZGOR-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CCCC[C@@H]1CN 37159189 167153548 /nfs/dbraw/zinc/15/35/48/167153548.db2.gz WNZCCFJKOKZGOR-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1CN 37159189 167153550 /nfs/dbraw/zinc/15/35/50/167153550.db2.gz WNZCCFJKOKZGOR-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CCC[C@@H]1CN 37159193 167155501 /nfs/dbraw/zinc/15/55/01/167155501.db2.gz ZVVAMILCXIJITE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1CN 37159193 167155502 /nfs/dbraw/zinc/15/55/02/167155502.db2.gz ZVVAMILCXIJITE-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@H+](CC(C)(C)CNC)C(C)C 51215329 167156790 /nfs/dbraw/zinc/15/67/90/167156790.db2.gz HMZZBRAQZUIBDS-UHFFFAOYSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[N@@H+](CC(C)(C)CNC)C(C)C 51215329 167156792 /nfs/dbraw/zinc/15/67/92/167156792.db2.gz HMZZBRAQZUIBDS-UHFFFAOYSA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC(C)(C)C[NH2+]C)C(C)C 51215329 167156795 /nfs/dbraw/zinc/15/67/95/167156795.db2.gz HMZZBRAQZUIBDS-UHFFFAOYSA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC(C)(C)[NH3+])C1CCCC1 40925934 167157348 /nfs/dbraw/zinc/15/73/48/167157348.db2.gz ABDQOCLBEKAIDW-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CCN(CC(C)(C)C[NH3+])C1CC1 51215045 167159131 /nfs/dbraw/zinc/15/91/31/167159131.db2.gz ZEQGLUJUNZWNCQ-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC(C)(C)C[NH2+]C)C1CC1 51215057 167159363 /nfs/dbraw/zinc/15/93/63/167159363.db2.gz GLKODJYFTSYFHP-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@H](C)CN 134161489 343935706 /nfs/dbraw/zinc/93/57/06/343935706.db2.gz RQTOQUIJAVNPJT-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H](C)CN 134161489 343935708 /nfs/dbraw/zinc/93/57/08/343935708.db2.gz RQTOQUIJAVNPJT-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(CC)CC[C@H]1CCC[NH2+]1 41653059 167166382 /nfs/dbraw/zinc/16/63/82/167166382.db2.gz IPBSLXBKIDCMEV-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCN(CC)CC[C@@H]1CCC[NH2+]1 41653053 167166602 /nfs/dbraw/zinc/16/66/02/167166602.db2.gz IPBSLXBKIDCMEV-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCN(CC)CCC[NH2+]C(C)C 19943042 167166946 /nfs/dbraw/zinc/16/69/46/167166946.db2.gz DWSGHNXKOMNEBW-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCN(CC)C[C@@H]([NH3+])C(C)(C)C 19254888 167167197 /nfs/dbraw/zinc/16/71/97/167167197.db2.gz TWSWWTQEYGSYFZ-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCN(CC)CCC1([NH3+])CCCC1 82397440 167167332 /nfs/dbraw/zinc/16/73/32/167167332.db2.gz WGHGMTVKDVTSTP-UHFFFAOYSA-N 1 3 184.327 1.990 10 0 ADAEHO CCN(CC)C[C@@H](C)N1CCCC1=[NH2+] 45709193 167167527 /nfs/dbraw/zinc/16/75/27/167167527.db2.gz URIBVPLDDODFFJ-SNVBAGLBSA-N 1 3 197.326 1.790 10 0 ADAEHO CCN(CC)C[C@@H]1CCCC[NH2+]C1 82187647 167168657 /nfs/dbraw/zinc/16/86/57/167168657.db2.gz OCPGVJQXXNKUID-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCN(CC)C[C@@](C)(CC)C[NH3+] 51208555 167168742 /nfs/dbraw/zinc/16/87/42/167168742.db2.gz SAUXQZIPCDAORI-JTQLQIEISA-N 1 3 172.316 1.703 10 0 ADAEHO CCN(CC)C[C@](C)(CC)C[NH3+] 51208557 167168756 /nfs/dbraw/zinc/16/87/56/167168756.db2.gz SAUXQZIPCDAORI-SNVBAGLBSA-N 1 3 172.316 1.703 10 0 ADAEHO CC[NH+](CC)C[C@H]1CCC[C@H]1N 39111862 167169150 /nfs/dbraw/zinc/16/91/50/167169150.db2.gz BZHLKUHXZYWBQH-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC)C[C@H]1CCC[C@H]1[NH3+] 39111862 167169151 /nfs/dbraw/zinc/16/91/51/167169151.db2.gz BZHLKUHXZYWBQH-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC)C[C@H]1CCCC[NH2+]C1 82187650 167169564 /nfs/dbraw/zinc/16/95/64/167169564.db2.gz OCPGVJQXXNKUID-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCN(CC)C[C@H](C)N1CCCC1=[NH2+] 45709195 167169914 /nfs/dbraw/zinc/16/99/14/167169914.db2.gz URIBVPLDDODFFJ-JTQLQIEISA-N 1 3 197.326 1.790 10 0 ADAEHO CCN(CC)C[C@@](C)(CC)C[NH2+]C 51208706 167170060 /nfs/dbraw/zinc/17/00/60/167170060.db2.gz MOEYXAZBXIRNIP-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCN(CC)C[C@](C)(CC)C[NH2+]C 51208708 167170868 /nfs/dbraw/zinc/17/08/68/167170868.db2.gz MOEYXAZBXIRNIP-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCN(CC)C[C@H]([NH3+])C(C)(C)C 19254890 167170964 /nfs/dbraw/zinc/17/09/64/167170964.db2.gz TWSWWTQEYGSYFZ-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CC[NH+](CC)C[C@H]1CCC[C@@H]1N 39111860 167171171 /nfs/dbraw/zinc/17/11/71/167171171.db2.gz BZHLKUHXZYWBQH-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC)C[C@H]1CCC[C@@H]1[NH3+] 39111860 167171174 /nfs/dbraw/zinc/17/11/74/167171174.db2.gz BZHLKUHXZYWBQH-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)C[C@@H]1CCC[C@@H]1N 39111859 167171241 /nfs/dbraw/zinc/17/12/41/167171241.db2.gz BZHLKUHXZYWBQH-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC)C[C@@H]1CCC[C@@H]1[NH3+] 39111859 167171242 /nfs/dbraw/zinc/17/12/42/167171242.db2.gz BZHLKUHXZYWBQH-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)C[C@@H]1CCC[C@H]1N 39111861 167171530 /nfs/dbraw/zinc/17/15/30/167171530.db2.gz BZHLKUHXZYWBQH-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC)C[C@@H]1CCC[C@H]1[NH3+] 39111861 167171535 /nfs/dbraw/zinc/17/15/35/167171535.db2.gz BZHLKUHXZYWBQH-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)[C@H]1CCC[C@@H]1CN 37157048 167172045 /nfs/dbraw/zinc/17/20/45/167172045.db2.gz UQKGKSYJLGCTLR-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)[C@H]1CCNC[C@@H]1C 70045467 167172867 /nfs/dbraw/zinc/17/28/67/167172867.db2.gz YRGRVYMAJHBWSP-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@H](C)[C@H]1CCCNC1 20216990 167173029 /nfs/dbraw/zinc/17/30/29/167173029.db2.gz BQGICRDAKZSYEA-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH+](CC)[C@H](C)[C@@H]1CCCNC1 20216988 167173160 /nfs/dbraw/zinc/17/31/60/167173160.db2.gz BQGICRDAKZSYEA-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCCC[C@@H]1CN 37157038 167173378 /nfs/dbraw/zinc/17/33/78/167173378.db2.gz WLARNLONOGNZJM-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH+](CC)[C@H](C)CCN 19673544 167173697 /nfs/dbraw/zinc/17/36/97/167173697.db2.gz LQUVKICAKFTPMW-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCN(CC)[C@H](C)CC[NH3+] 19673544 167173702 /nfs/dbraw/zinc/17/37/02/167173702.db2.gz LQUVKICAKFTPMW-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCCC[C@H]1CN 37157042 167173716 /nfs/dbraw/zinc/17/37/16/167173716.db2.gz WLARNLONOGNZJM-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH+](CC)[C@H]1CCCC[C@H]1CN 37157044 167173744 /nfs/dbraw/zinc/17/37/44/167173744.db2.gz WLARNLONOGNZJM-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH+](CC)[C@H]1CCCC[C@@H]1CN 37157040 167173794 /nfs/dbraw/zinc/17/37/94/167173794.db2.gz WLARNLONOGNZJM-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCC[C@H](N)C1 71496594 167173920 /nfs/dbraw/zinc/17/39/20/167173920.db2.gz ZHOFEPRWYBPRJM-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN(CC)[C@@H]1CCC[C@H]([NH3+])C1 71496594 167173924 /nfs/dbraw/zinc/17/39/24/167173924.db2.gz ZHOFEPRWYBPRJM-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[NH+](CC)[C@H]1CCNC[C@H]1C 70045471 167174023 /nfs/dbraw/zinc/17/40/23/167174023.db2.gz YRGRVYMAJHBWSP-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCNC[C@H]1C 70045468 167174203 /nfs/dbraw/zinc/17/42/03/167174203.db2.gz YRGRVYMAJHBWSP-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@H]1CCC[C@H]1CN 37157052 167174307 /nfs/dbraw/zinc/17/43/07/167174307.db2.gz UQKGKSYJLGCTLR-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCC[C@@H]1CN 37157046 167174372 /nfs/dbraw/zinc/17/43/72/167174372.db2.gz UQKGKSYJLGCTLR-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCC[C@H]1CN 37157050 167174520 /nfs/dbraw/zinc/17/45/20/167174520.db2.gz UQKGKSYJLGCTLR-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCC[C@@H](N)C1 71496599 167174595 /nfs/dbraw/zinc/17/45/95/167174595.db2.gz ZHOFEPRWYBPRJM-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN(CC)[C@@H]1CCC[C@@H]([NH3+])C1 71496599 167174597 /nfs/dbraw/zinc/17/45/97/167174597.db2.gz ZHOFEPRWYBPRJM-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[NH+](CC)[C@@H]1CCNC[C@@H]1C 70045465 167174666 /nfs/dbraw/zinc/17/46/66/167174666.db2.gz YRGRVYMAJHBWSP-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH+](CC)[C@H]1CCC[C@@H](N)C1 71496601 167174987 /nfs/dbraw/zinc/17/49/87/167174987.db2.gz ZHOFEPRWYBPRJM-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN(CC)[C@H]1CCC[C@@H]([NH3+])C1 71496601 167174991 /nfs/dbraw/zinc/17/49/91/167174991.db2.gz ZHOFEPRWYBPRJM-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[NH+](CC)[C@H]1CCC[C@H](N)C1 71496596 167175012 /nfs/dbraw/zinc/17/50/12/167175012.db2.gz ZHOFEPRWYBPRJM-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN(CC)[C@H]1CCC[C@H]([NH3+])C1 71496596 167175014 /nfs/dbraw/zinc/17/50/14/167175014.db2.gz ZHOFEPRWYBPRJM-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+](CC1(N)CCCC1)C1CC1 37479597 167175230 /nfs/dbraw/zinc/17/52/30/167175230.db2.gz WIVXDMDMGSHTDC-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[N@@H+](CC1(N)CCCC1)C1CC1 37479597 167175231 /nfs/dbraw/zinc/17/52/31/167175231.db2.gz WIVXDMDMGSHTDC-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CCN(CC1CC1)C[C@@H](C)C(N)=[NH2+] 42445952 167177392 /nfs/dbraw/zinc/17/73/92/167177392.db2.gz TZUPJODOYXZFDG-MRVPVSSYSA-N 1 3 183.299 1.290 10 0 ADAEHO CCN(CC1(C[NH3+])CCCC1)C1CC1 51215056 167177876 /nfs/dbraw/zinc/17/78/76/167177876.db2.gz NVSHAEQBXIBBCV-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CCN(CCC(C)C)C[C@@H](C)C(N)=[NH2+] 42446048 167179525 /nfs/dbraw/zinc/17/95/25/167179525.db2.gz NMPNMWVGVWFWIC-SNVBAGLBSA-N 1 3 199.342 1.926 10 0 ADAEHO CCN(CCC(N)=[NH2+])c1ccncc1 42453133 167179856 /nfs/dbraw/zinc/17/98/56/167179856.db2.gz AFJWRLHWSYJECA-UHFFFAOYSA-N 1 3 192.266 1.234 10 0 ADAEHO CCN(CCC(N)=[NH2+])C1CCCCC1 19474392 167180099 /nfs/dbraw/zinc/18/00/99/167180099.db2.gz IDPJOXORJPYSKF-UHFFFAOYSA-N 1 3 197.326 1.967 10 0 ADAEHO CCN(CCC(N)=[NH2+])CCC(C)C 42452809 167180922 /nfs/dbraw/zinc/18/09/22/167180922.db2.gz ACGLDEUVVMVZFZ-UHFFFAOYSA-N 1 3 185.315 1.680 10 0 ADAEHO CCN(CCC(N)=[NH2+])CC1CC1 42452747 167181335 /nfs/dbraw/zinc/18/13/35/167181335.db2.gz QIPCFTGXIVJIRW-UHFFFAOYSA-N 1 3 169.272 1.044 10 0 ADAEHO CCN(CCC[NH3+])CCOC(C)C 49259225 167181542 /nfs/dbraw/zinc/18/15/42/167181542.db2.gz MBGJPARYRKNCRV-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO CCN(CC[C@@H](C)[NH2+]C)C1CC1 43821553 167186886 /nfs/dbraw/zinc/18/68/86/167186886.db2.gz VEVAPDKYZRFZEL-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(CC[C@H]1CCC[NH2+]1)C1CC1 42171976 167187024 /nfs/dbraw/zinc/18/70/24/167187024.db2.gz AEXCOPJJIIYXHX-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CCN(CC[C@@H]1CCC[NH2+]1)C(C)C 42171982 167187212 /nfs/dbraw/zinc/18/72/12/167187212.db2.gz UCQNHYHANZGWJO-NSHDSACASA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H](CC[NH3+])Nc1ccncc1 134270966 343938623 /nfs/dbraw/zinc/93/86/23/343938623.db2.gz BGGKKYHAGGHSAZ-MRVPVSSYSA-N 1 3 165.240 1.231 10 0 ADAEHO CC[N@H+](CC[C@@H](C)NC)CC(C)C 43888025 167188075 /nfs/dbraw/zinc/18/80/75/167188075.db2.gz BYNPYZHMOHYMKN-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)NC)CC(C)C 43888025 167188076 /nfs/dbraw/zinc/18/80/76/167188076.db2.gz BYNPYZHMOHYMKN-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC[C@@H](C)[NH2+]C)C(C)C 43824293 167188206 /nfs/dbraw/zinc/18/82/06/167188206.db2.gz CSJUEBHMRSKXIU-SNVBAGLBSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[N@H+](CC[C@@H](C)NC)C(C)C 43824293 167188209 /nfs/dbraw/zinc/18/82/09/167188209.db2.gz CSJUEBHMRSKXIU-SNVBAGLBSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)NC)C(C)C 43824293 167188211 /nfs/dbraw/zinc/18/82/11/167188211.db2.gz CSJUEBHMRSKXIU-SNVBAGLBSA-N 1 3 172.316 1.715 10 0 ADAEHO CCN(CC[C@H](C)[NH2+]C)C(C)C 43824296 167188909 /nfs/dbraw/zinc/18/89/09/167188909.db2.gz CSJUEBHMRSKXIU-JTQLQIEISA-N 1 3 172.316 1.715 10 0 ADAEHO CC[N@H+](CC[C@H](C)NC)C(C)C 43824296 167188911 /nfs/dbraw/zinc/18/89/11/167188911.db2.gz CSJUEBHMRSKXIU-JTQLQIEISA-N 1 3 172.316 1.715 10 0 ADAEHO CC[N@@H+](CC[C@H](C)NC)C(C)C 43824296 167188914 /nfs/dbraw/zinc/18/89/14/167188914.db2.gz CSJUEBHMRSKXIU-JTQLQIEISA-N 1 3 172.316 1.715 10 0 ADAEHO CCN(CC[C@H](C)[NH2+]C)C1CC1 43821556 167189181 /nfs/dbraw/zinc/18/91/81/167189181.db2.gz VEVAPDKYZRFZEL-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@H+](CC[C@H](C)NC)CC(C)C 43888026 167189631 /nfs/dbraw/zinc/18/96/31/167189631.db2.gz BYNPYZHMOHYMKN-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CC[N@@H+](CC[C@H](C)NC)CC(C)C 43888026 167189634 /nfs/dbraw/zinc/18/96/34/167189634.db2.gz BYNPYZHMOHYMKN-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CCN(CC[C@@H](C)[NH3+])[C@@H](C)COC 42748018 167189961 /nfs/dbraw/zinc/18/99/61/167189961.db2.gz FVXNQBWVIGXZJE-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN(CC[C@@H]1CCC[NH2+]1)C1CC1 42171974 167190453 /nfs/dbraw/zinc/19/04/53/167190453.db2.gz AEXCOPJJIIYXHX-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CCN(CC[C@H](C)[NH3+])[C@@H](C)COC 42748021 167190525 /nfs/dbraw/zinc/19/05/25/167190525.db2.gz FVXNQBWVIGXZJE-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN(CC[C@H]1CCC[NH2+]1)C(C)C 42171983 167190585 /nfs/dbraw/zinc/19/05/85/167190585.db2.gz UCQNHYHANZGWJO-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN(C[C@@H]1CCC[C@@H]1[NH3+])C1CC1 53865351 167191452 /nfs/dbraw/zinc/19/14/52/167191452.db2.gz YOSDIGLNOZMPJD-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN(C[C@@](C)(CC)C[NH3+])C1CC1 51215052 167192154 /nfs/dbraw/zinc/19/21/54/167192154.db2.gz SWSMVUNNBIHTIY-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C[C@@H]1CC[NH2+]C1)C1CC1 51889422 167192544 /nfs/dbraw/zinc/19/25/44/167192544.db2.gz FYGCIJSSJBAARN-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCN(C[C@H]1CC[NH2+]C1)C1CC1 51889424 167192757 /nfs/dbraw/zinc/19/27/57/167192757.db2.gz FYGCIJSSJBAARN-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO CCN(C[C@H]1CCC[C@@H]1[NH3+])C1CC1 53865353 167193419 /nfs/dbraw/zinc/19/34/19/167193419.db2.gz YOSDIGLNOZMPJD-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN(C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 60744058 167193644 /nfs/dbraw/zinc/19/36/44/167193644.db2.gz BKNONKGSFDNOBF-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](C[C@H]1CCC[C@@H]1N)C(C)C 53865591 167193794 /nfs/dbraw/zinc/19/37/94/167193794.db2.gz LOCPXPRZKVNLLK-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C[C@H]1CCC[C@@H]1N)C(C)C 53865591 167193796 /nfs/dbraw/zinc/19/37/96/167193796.db2.gz LOCPXPRZKVNLLK-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 60744055 167193969 /nfs/dbraw/zinc/19/39/69/167193969.db2.gz BKNONKGSFDNOBF-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](C[C@@H]1CCC[C@@H]1N)C(C)C 53865590 167194113 /nfs/dbraw/zinc/19/41/13/167194113.db2.gz LOCPXPRZKVNLLK-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](C[C@@H]1CCC[C@@H]1N)C(C)C 53865590 167194116 /nfs/dbraw/zinc/19/41/16/167194116.db2.gz LOCPXPRZKVNLLK-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C[C@](C)(CC)C[NH3+])C1CC1 51215053 167194434 /nfs/dbraw/zinc/19/44/34/167194434.db2.gz SWSMVUNNBIHTIY-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+]([C@@H](C)COC)[C@@H](C)[C@@H](C)N 42748382 167195822 /nfs/dbraw/zinc/19/58/22/167195822.db2.gz HQCGVFGMYXSWCE-AEJSXWLSSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@@H+]([C@@H](C)COC)[C@@H](C)[C@@H](C)N 42748382 167195823 /nfs/dbraw/zinc/19/58/23/167195823.db2.gz HQCGVFGMYXSWCE-AEJSXWLSSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@@H+]([C@@H](C)COC)[C@H](C)CCN 42740109 167196154 /nfs/dbraw/zinc/19/61/54/167196154.db2.gz BRJMZWZBXHBRST-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@H+]([C@@H](C)COC)[C@H](C)CCN 42740109 167196157 /nfs/dbraw/zinc/19/61/57/167196157.db2.gz BRJMZWZBXHBRST-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN([C@@H](C)COC)[C@H](C)CC[NH3+] 42740109 167196160 /nfs/dbraw/zinc/19/61/60/167196160.db2.gz BRJMZWZBXHBRST-ZJUUUORDSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@@H+]([C@@H](C)[C@@H](C)N)[C@H](C)COC 42748385 167196420 /nfs/dbraw/zinc/19/64/20/167196420.db2.gz HQCGVFGMYXSWCE-BBBLOLIVSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@H+]([C@@H](C)[C@@H](C)N)[C@H](C)COC 42748385 167196421 /nfs/dbraw/zinc/19/64/21/167196421.db2.gz HQCGVFGMYXSWCE-BBBLOLIVSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[N@H+]([C@@H](C)CCN)[C@@H](C)COC 42740108 167196642 /nfs/dbraw/zinc/19/66/42/167196642.db2.gz BRJMZWZBXHBRST-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[N@@H+]([C@@H](C)CCN)[C@@H](C)COC 42740108 167196646 /nfs/dbraw/zinc/19/66/46/167196646.db2.gz BRJMZWZBXHBRST-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CCN([C@@H](C)CC[NH3+])[C@@H](C)COC 42740108 167196647 /nfs/dbraw/zinc/19/66/47/167196647.db2.gz BRJMZWZBXHBRST-UWVGGRQHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[NH+]1CCC(N(C)C)CC1 73652796 167200550 /nfs/dbraw/zinc/20/05/50/167200550.db2.gz JNJKVYBFLDJCIT-UHFFFAOYSA-N 1 3 156.273 1.032 10 0 ADAEHO CCN1CCC[NH2+][C@@H](C)CC1 49664793 167201296 /nfs/dbraw/zinc/20/12/96/167201296.db2.gz HUVZIAWEWKQGEQ-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@@H+]1CCCN[C@@H](C)CC1 49664793 167201299 /nfs/dbraw/zinc/20/12/99/167201299.db2.gz HUVZIAWEWKQGEQ-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+]1CCCN[C@@H](C)CC1 49664793 167201304 /nfs/dbraw/zinc/20/13/04/167201304.db2.gz HUVZIAWEWKQGEQ-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CCN(C)[C@@H]1CCC[N@H+](CC)CC1 306225142 167201556 /nfs/dbraw/zinc/20/15/56/167201556.db2.gz LNPNMHCOFAUNDO-LLVKDONJSA-N 1 3 184.327 1.813 10 0 ADAEHO CCN(C)[C@@H]1CCC[N@@H+](CC)CC1 306225142 167201557 /nfs/dbraw/zinc/20/15/57/167201557.db2.gz LNPNMHCOFAUNDO-LLVKDONJSA-N 1 3 184.327 1.813 10 0 ADAEHO CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 334983791 167202712 /nfs/dbraw/zinc/20/27/12/167202712.db2.gz PDLVIAZUWPLUFC-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+]1CCCN[C@H](CC(C)C)C1 62567191 167202835 /nfs/dbraw/zinc/20/28/35/167202835.db2.gz NXIOZYMHKIQCRS-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1CCCN[C@H](CC(C)C)C1 62567191 167202837 /nfs/dbraw/zinc/20/28/37/167202837.db2.gz NXIOZYMHKIQCRS-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+]1CCCN[C@@H](CC(C)C)C1 62567193 167203026 /nfs/dbraw/zinc/20/30/26/167203026.db2.gz NXIOZYMHKIQCRS-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1CCCN[C@@H](CC(C)C)C1 62567193 167203029 /nfs/dbraw/zinc/20/30/29/167203029.db2.gz NXIOZYMHKIQCRS-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1CCC[NH2+][C@H](C)CC1 49664792 167203623 /nfs/dbraw/zinc/20/36/23/167203623.db2.gz HUVZIAWEWKQGEQ-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@@H+]1CCCN[C@H](C)CC1 49664792 167203625 /nfs/dbraw/zinc/20/36/25/167203625.db2.gz HUVZIAWEWKQGEQ-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+]1CCCN[C@H](C)CC1 49664792 167203628 /nfs/dbraw/zinc/20/36/28/167203628.db2.gz HUVZIAWEWKQGEQ-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCN1CCC[NH2+][C@@H](C(C)C)C1 62566629 167203949 /nfs/dbraw/zinc/20/39/49/167203949.db2.gz CVRIRRUCESEYNX-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CCCN[C@@H](C(C)C)C1 62566629 167203950 /nfs/dbraw/zinc/20/39/50/167203950.db2.gz CVRIRRUCESEYNX-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1CCCN[C@@H](C(C)C)C1 62566629 167203952 /nfs/dbraw/zinc/20/39/52/167203952.db2.gz CVRIRRUCESEYNX-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN1CCC[NH2+][C@H](C(C)C)C1 62566626 167203999 /nfs/dbraw/zinc/20/39/99/167203999.db2.gz CVRIRRUCESEYNX-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CCCN[C@H](C(C)C)C1 62566626 167204003 /nfs/dbraw/zinc/20/40/03/167204003.db2.gz CVRIRRUCESEYNX-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1CCCN[C@H](C(C)C)C1 62566626 167204004 /nfs/dbraw/zinc/20/40/04/167204004.db2.gz CVRIRRUCESEYNX-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 334983790 167204354 /nfs/dbraw/zinc/20/43/54/167204354.db2.gz PDLVIAZUWPLUFC-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 6438640 167205244 /nfs/dbraw/zinc/20/52/44/167205244.db2.gz CULUXEMAMNOREK-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]C)C1 37208422 167205389 /nfs/dbraw/zinc/20/53/89/167205389.db2.gz ORIKYPKWGJIPRT-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN1CCC[C@@H]1CN1CCCC1=[NH2+] 20444207 167206197 /nfs/dbraw/zinc/20/61/97/167206197.db2.gz UKIBDCZSIWWHRN-SNVBAGLBSA-N 1 3 195.310 1.544 10 0 ADAEHO CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 6438637 167206280 /nfs/dbraw/zinc/20/62/80/167206280.db2.gz CULUXEMAMNOREK-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]C)C1 37208423 167207083 /nfs/dbraw/zinc/20/70/83/167207083.db2.gz ORIKYPKWGJIPRT-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CCC[C@](N)(C(C)C)C1 85343276 167207428 /nfs/dbraw/zinc/20/74/28/167207428.db2.gz YCSQGABANDEVKJ-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CCC[C@](N)(C(C)C)C1 85343276 167207429 /nfs/dbraw/zinc/20/74/29/167207429.db2.gz YCSQGABANDEVKJ-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+]1CCC[C@@](N)(C(C)C)C1 85343280 167207930 /nfs/dbraw/zinc/20/79/30/167207930.db2.gz YCSQGABANDEVKJ-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CCC[C@@](N)(C(C)C)C1 85343280 167207933 /nfs/dbraw/zinc/20/79/33/167207933.db2.gz YCSQGABANDEVKJ-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]C2CC2)C1 37208369 167209737 /nfs/dbraw/zinc/20/97/37/167209737.db2.gz RCWBHTNHGAEYEH-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)[C@H]1CCC[N@H+](CC)CC1 306225178 167209817 /nfs/dbraw/zinc/20/98/17/167209817.db2.gz LNPNMHCOFAUNDO-NSHDSACASA-N 1 3 184.327 1.813 10 0 ADAEHO CCN(C)[C@H]1CCC[N@@H+](CC)CC1 306225178 167209819 /nfs/dbraw/zinc/20/98/19/167209819.db2.gz LNPNMHCOFAUNDO-NSHDSACASA-N 1 3 184.327 1.813 10 0 ADAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]C2CC2)C1 37208368 167210161 /nfs/dbraw/zinc/21/01/61/167210161.db2.gz RCWBHTNHGAEYEH-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+]1CC[C@@H](N(C)C)[C@H](C)C1 73653916 167217648 /nfs/dbraw/zinc/21/76/48/167217648.db2.gz MRHTYIFGYIWBNO-NXEZZACHSA-N 1 3 170.300 1.278 10 0 ADAEHO CC[N@H+]1CC[C@@H](N(C)C)[C@H](C)C1 73653916 167217650 /nfs/dbraw/zinc/21/76/50/167217650.db2.gz MRHTYIFGYIWBNO-NXEZZACHSA-N 1 3 170.300 1.278 10 0 ADAEHO CCN1CC[C@@H](C)[NH2+]C[C@H](C)C1 49664807 167219370 /nfs/dbraw/zinc/21/93/70/167219370.db2.gz OVGAIJJAYVSGPV-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C)NC[C@H](C)C1 49664807 167219374 /nfs/dbraw/zinc/21/93/74/167219374.db2.gz OVGAIJJAYVSGPV-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1CC[C@@H](C)NC[C@H](C)C1 49664807 167219379 /nfs/dbraw/zinc/21/93/79/167219379.db2.gz OVGAIJJAYVSGPV-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN1CC[C@@H](C)[NH2+][C@H](C)CC1 49664803 167220147 /nfs/dbraw/zinc/22/01/47/167220147.db2.gz GIOQMCZMVNZNAH-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN1CC[C@H](C)[NH2+][C@H](C)CC1 49664801 167221357 /nfs/dbraw/zinc/22/13/57/167221357.db2.gz GIOQMCZMVNZNAH-AOOOYVTPSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN1CCc2c(C[NH3+])csc2C1 82638039 167222069 /nfs/dbraw/zinc/22/20/69/167222069.db2.gz LHJDTLKHGLACCB-UHFFFAOYSA-N 1 3 196.319 1.585 10 0 ADAEHO CCN1CCc2cc(C[NH3+])ccc2C1 82789685 167222538 /nfs/dbraw/zinc/22/25/38/167222538.db2.gz BHFDNDHBBOKNGC-UHFFFAOYSA-N 1 3 190.290 1.523 10 0 ADAEHO CC[N@@H+]1CC[C@H](N(C)C)[C@H](C)C1 73653912 167223183 /nfs/dbraw/zinc/22/31/83/167223183.db2.gz MRHTYIFGYIWBNO-ZJUUUORDSA-N 1 3 170.300 1.278 10 0 ADAEHO CC[N@H+]1CC[C@H](N(C)C)[C@H](C)C1 73653912 167223185 /nfs/dbraw/zinc/22/31/85/167223185.db2.gz MRHTYIFGYIWBNO-ZJUUUORDSA-N 1 3 170.300 1.278 10 0 ADAEHO CCN1CC[C@H](C)[NH2+][C@@H](C)CC1 49664804 167224683 /nfs/dbraw/zinc/22/46/83/167224683.db2.gz GIOQMCZMVNZNAH-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN1CC[C@H](C)[NH2+]C[C@H](C)C1 49664805 167225173 /nfs/dbraw/zinc/22/51/73/167225173.db2.gz OVGAIJJAYVSGPV-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CC[C@H](C)NC[C@H](C)C1 49664805 167225175 /nfs/dbraw/zinc/22/51/75/167225175.db2.gz OVGAIJJAYVSGPV-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1CC[C@H](C)NC[C@H](C)C1 49664805 167225176 /nfs/dbraw/zinc/22/51/76/167225176.db2.gz OVGAIJJAYVSGPV-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 42427328 167225752 /nfs/dbraw/zinc/22/57/52/167225752.db2.gz JZFHWDHUHGGENU-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1C[C@@H](CN)CC[C@@H]1C 42427328 167225757 /nfs/dbraw/zinc/22/57/57/167225757.db2.gz JZFHWDHUHGGENU-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN1C[C@@H](C[NH3+])CC[C@@H]1C 42427328 167225761 /nfs/dbraw/zinc/22/57/61/167225761.db2.gz JZFHWDHUHGGENU-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH+]1C[C@H](C)CNC[C@@H](C)C1 49664815 167227693 /nfs/dbraw/zinc/22/76/93/167227693.db2.gz KQKQLNODFZQERO-NXEZZACHSA-N 1 3 170.300 1.184 10 0 ADAEHO CCN1C[C@H](C)C[NH2+]C[C@@H](C)C1 49664815 167227696 /nfs/dbraw/zinc/22/76/96/167227696.db2.gz KQKQLNODFZQERO-NXEZZACHSA-N 1 3 170.300 1.184 10 0 ADAEHO CC[N@@H+]1C[C@H](CN)CC[C@@H]1C 42427327 167228581 /nfs/dbraw/zinc/22/85/81/167228581.db2.gz JZFHWDHUHGGENU-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1C[C@H](CN)CC[C@@H]1C 42427327 167228584 /nfs/dbraw/zinc/22/85/84/167228584.db2.gz JZFHWDHUHGGENU-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN1C[C@H](C[NH3+])CC[C@@H]1C 42427327 167228588 /nfs/dbraw/zinc/22/85/88/167228588.db2.gz JZFHWDHUHGGENU-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH+]1C[C@@H](C)CNC[C@H](C)C1 49664813 167228767 /nfs/dbraw/zinc/22/87/67/167228767.db2.gz KQKQLNODFZQERO-UWVGGRQHSA-N 1 3 170.300 1.184 10 0 ADAEHO CCN1C[C@@H](C)C[NH2+]C[C@H](C)C1 49664813 167228771 /nfs/dbraw/zinc/22/87/71/167228771.db2.gz KQKQLNODFZQERO-UWVGGRQHSA-N 1 3 170.300 1.184 10 0 ADAEHO CC[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664811 167229137 /nfs/dbraw/zinc/22/91/37/167229137.db2.gz KQKQLNODFZQERO-AOOOYVTPSA-N 1 3 170.300 1.184 10 0 ADAEHO CC[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49664811 167229138 /nfs/dbraw/zinc/22/91/38/167229138.db2.gz KQKQLNODFZQERO-AOOOYVTPSA-N 1 3 170.300 1.184 10 0 ADAEHO CCN1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664811 167229139 /nfs/dbraw/zinc/22/91/39/167229139.db2.gz KQKQLNODFZQERO-AOOOYVTPSA-N 1 3 170.300 1.184 10 0 ADAEHO CCN1[C@H]2CCC[C@@H]1CC([NH3+])C2 54601417 167230406 /nfs/dbraw/zinc/23/04/06/167230406.db2.gz MYTIGXWWXWTMSJ-PBINXNQUSA-N 1 3 168.284 1.351 10 0 ADAEHO CCN1[C@H]2CC[C@@H]1CC([NH2+]C)C2 54603331 167231393 /nfs/dbraw/zinc/23/13/93/167231393.db2.gz MEYXYWDUPDXVGK-PBINXNQUSA-N 1 3 168.284 1.221 10 0 ADAEHO CC[N@@H+]1[C@H]2CC[C@@H]1CC(NC)C2 54603331 167231395 /nfs/dbraw/zinc/23/13/95/167231395.db2.gz MEYXYWDUPDXVGK-PBINXNQUSA-N 1 3 168.284 1.221 10 0 ADAEHO CC[N@H+]1[C@H]2CC[C@@H]1CC(NC)C2 54603331 167231397 /nfs/dbraw/zinc/23/13/97/167231397.db2.gz MEYXYWDUPDXVGK-PBINXNQUSA-N 1 3 168.284 1.221 10 0 ADAEHO CC[NH2+]C1CCN([C@@H](C)CC)CC1 37241372 167257224 /nfs/dbraw/zinc/25/72/24/167257224.db2.gz IGCSXADJZHHTPO-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+]C1C[C@@H]2CC[C@H](C1)N2CC 54603333 167257298 /nfs/dbraw/zinc/25/72/98/167257298.db2.gz BEPCQWTVEBIXSW-FGWVZKOKSA-N 1 3 182.311 1.611 10 0 ADAEHO CC[NH2+]C1CC(C)(C)NC(C)(C)C1 20143404 167258708 /nfs/dbraw/zinc/25/87/08/167258708.db2.gz IKXJYEHCFHVITH-UHFFFAOYSA-N 1 3 184.327 1.905 10 0 ADAEHO CCNC1CC(C)(C)[NH2+]C(C)(C)C1 20143404 167258711 /nfs/dbraw/zinc/25/87/11/167258711.db2.gz IKXJYEHCFHVITH-UHFFFAOYSA-N 1 3 184.327 1.905 10 0 ADAEHO CCNC1(C[NH3+])Cc2ccccc2C1 50270327 167258846 /nfs/dbraw/zinc/25/88/46/167258846.db2.gz RBOYNQSLDGGFSO-UHFFFAOYSA-N 1 3 190.290 1.092 10 0 ADAEHO CC[NH2+]C1CCN(C(C)(C)C)CC1 37240243 167259060 /nfs/dbraw/zinc/25/90/60/167259060.db2.gz FRHDRKDMRHBOOI-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+]C1CCN([C@H](C)C2CC2)CC1 35733655 167259077 /nfs/dbraw/zinc/25/90/77/167259077.db2.gz RCZVWQJVHPFJNE-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C1CCN(CC(C)C)CC1 37241653 167259691 /nfs/dbraw/zinc/25/96/91/167259691.db2.gz BYHWCWGDYBAKRW-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C1C[C@@H]2CC[C@H](C1)N2C(C)C 54627119 167259986 /nfs/dbraw/zinc/25/99/86/167259986.db2.gz DNXRGKFQRJDNLI-YOGCLGLASA-N 1 3 196.338 2.000 10 0 ADAEHO CC[NH2+]C1CCN([C@@H](C)C2CC2)CC1 35733654 167260064 /nfs/dbraw/zinc/26/00/64/167260064.db2.gz RCZVWQJVHPFJNE-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+]C1CCN([C@H](C)CC)CC1 37241370 167260516 /nfs/dbraw/zinc/26/05/16/167260516.db2.gz IGCSXADJZHHTPO-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCNCCC[N@H+](C)C1CCCC1 42409490 167260904 /nfs/dbraw/zinc/26/09/04/167260904.db2.gz CEZLJUNJSGTBPT-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCNCCC[N@@H+](C)C1CCCC1 42409490 167260907 /nfs/dbraw/zinc/26/09/07/167260907.db2.gz CEZLJUNJSGTBPT-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+]CCCN(C)C1CCCC1 42409490 167260909 /nfs/dbraw/zinc/26/09/09/167260909.db2.gz CEZLJUNJSGTBPT-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCNCCC[N@H+](C)[C@H](C)C1CC1 42409603 167260950 /nfs/dbraw/zinc/26/09/50/167260950.db2.gz NXQHICPGGKXSLE-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNCCC[N@@H+](C)[C@H](C)C1CC1 42409603 167260955 /nfs/dbraw/zinc/26/09/55/167260955.db2.gz NXQHICPGGKXSLE-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]CCCN(C)[C@H](C)C1CC1 42409603 167260959 /nfs/dbraw/zinc/26/09/59/167260959.db2.gz NXQHICPGGKXSLE-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]CCCN1C[C@@H](C)C[C@@H](C)C1 42409266 167261002 /nfs/dbraw/zinc/26/10/02/167261002.db2.gz VZLZXBRVWBAQQC-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCCC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 42409266 167261007 /nfs/dbraw/zinc/26/10/07/167261007.db2.gz VZLZXBRVWBAQQC-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 42409266 167261009 /nfs/dbraw/zinc/26/10/09/167261009.db2.gz VZLZXBRVWBAQQC-TXEJJXNPSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]CC(C)(C)CN(C)C(C)C 51210910 167261072 /nfs/dbraw/zinc/26/10/72/167261072.db2.gz IBXUUGALFZGKTF-UHFFFAOYSA-N 1 3 186.343 1.962 10 0 ADAEHO CCNCCC[NH2+]CC(C)C 53499360 167261107 /nfs/dbraw/zinc/26/11/07/167261107.db2.gz OJHALJMYYCMQBG-UHFFFAOYSA-N 1 3 158.289 1.232 10 0 ADAEHO CC[NH2+]CCCN1CCCC[C@H]1C 19913168 167261216 /nfs/dbraw/zinc/26/12/16/167261216.db2.gz DYNLYAUKVAJQRO-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+]CCCN1CCCC[C@@H]1C 19913166 167261303 /nfs/dbraw/zinc/26/13/03/167261303.db2.gz DYNLYAUKVAJQRO-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+]CCCN(C)CC1CC1 42409706 167261402 /nfs/dbraw/zinc/26/14/02/167261402.db2.gz LJUZWBZTVOBRMA-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[NH2+]CCCN(C)C[C@@H](C)CC 42409530 167261507 /nfs/dbraw/zinc/26/15/07/167261507.db2.gz XKWQNAOLTBXVOO-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@H+](C)C[C@@H](C)CC 42409530 167261509 /nfs/dbraw/zinc/26/15/09/167261509.db2.gz XKWQNAOLTBXVOO-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@@H+](C)C[C@@H](C)CC 42409530 167261510 /nfs/dbraw/zinc/26/15/10/167261510.db2.gz XKWQNAOLTBXVOO-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@@H+]1CCC[C@H]1CC 42409125 167261603 /nfs/dbraw/zinc/26/16/03/167261603.db2.gz JMFMBBICMWFZRD-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCNCCC[N@H+]1CCC[C@H]1CC 42409125 167261607 /nfs/dbraw/zinc/26/16/07/167261607.db2.gz JMFMBBICMWFZRD-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+]CCCN1CCC[C@H]1CC 42409125 167261610 /nfs/dbraw/zinc/26/16/10/167261610.db2.gz JMFMBBICMWFZRD-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+]CC(C)(C)CN1CC[C@H](C)C1 51249976 167261637 /nfs/dbraw/zinc/26/16/37/167261637.db2.gz XAVXBPSQOZGILP-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC(C)(C)C[N@@H+]1CC[C@H](C)C1 51249976 167261641 /nfs/dbraw/zinc/26/16/41/167261641.db2.gz XAVXBPSQOZGILP-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC(C)(C)C[N@H+]1CC[C@H](C)C1 51249976 167261645 /nfs/dbraw/zinc/26/16/45/167261645.db2.gz XAVXBPSQOZGILP-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]CC(C)(C)CN1CCCC1 51208062 167261714 /nfs/dbraw/zinc/26/17/14/167261714.db2.gz DYIFEJHETHBZHN-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CC[NH2+]CC(C)(C)CN1CC[C@@H](C)C1 51249977 167261724 /nfs/dbraw/zinc/26/17/24/167261724.db2.gz XAVXBPSQOZGILP-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC(C)(C)C[N@@H+]1CC[C@@H](C)C1 51249977 167261728 /nfs/dbraw/zinc/26/17/28/167261728.db2.gz XAVXBPSQOZGILP-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC(C)(C)C[N@H+]1CC[C@@H](C)C1 51249977 167261730 /nfs/dbraw/zinc/26/17/30/167261730.db2.gz XAVXBPSQOZGILP-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]CCCN1CCC[C@H]1C 42409134 167261769 /nfs/dbraw/zinc/26/17/69/167261769.db2.gz COYMARWRAOSTJQ-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[NH2+]CCCN(C)CCC(C)C 42457716 167261842 /nfs/dbraw/zinc/26/18/42/167261842.db2.gz XDSKACJPSNGPMU-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@H+](C)[C@H](C)C(C)C 42409637 167262023 /nfs/dbraw/zinc/26/20/23/167262023.db2.gz IWJVFAQRIWAGJH-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CCNCCC[N@@H+](C)[C@H](C)C(C)C 42409637 167262028 /nfs/dbraw/zinc/26/20/28/167262028.db2.gz IWJVFAQRIWAGJH-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]CCCN1CC[C@@H](C)C1 42409722 167262391 /nfs/dbraw/zinc/26/23/91/167262391.db2.gz APUHIFJOWSVMOK-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[NH2+]CCCN1CCC[C@H](C)C1 42409220 167262408 /nfs/dbraw/zinc/26/24/08/167262408.db2.gz YGYVOHQSIUYUKF-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC[NH2+]CCCN(C)CC(C)C 42409521 167262428 /nfs/dbraw/zinc/26/24/28/167262428.db2.gz XRPQCRBSACAVSM-UHFFFAOYSA-N 1 3 172.316 1.574 10 0 ADAEHO CCNCCC[N@H+](C)CC(C)C 42409521 167262431 /nfs/dbraw/zinc/26/24/31/167262431.db2.gz XRPQCRBSACAVSM-UHFFFAOYSA-N 1 3 172.316 1.574 10 0 ADAEHO CCNCCC[N@@H+](C)CC(C)C 42409521 167262432 /nfs/dbraw/zinc/26/24/32/167262432.db2.gz XRPQCRBSACAVSM-UHFFFAOYSA-N 1 3 172.316 1.574 10 0 ADAEHO CC[NH2+]CCCN(C)[C@@H](C)CC 42409506 167262473 /nfs/dbraw/zinc/26/24/73/167262473.db2.gz OGOQAKXTLKPWBR-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@H+](C)[C@@H](C)CC 42409506 167262476 /nfs/dbraw/zinc/26/24/76/167262476.db2.gz OGOQAKXTLKPWBR-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@@H+](C)[C@@H](C)CC 42409506 167262479 /nfs/dbraw/zinc/26/24/79/167262479.db2.gz OGOQAKXTLKPWBR-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@H+](C)[C@@H](C)C(C)C 42409636 167262758 /nfs/dbraw/zinc/26/27/58/167262758.db2.gz IWJVFAQRIWAGJH-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CCNCCC[N@@H+](C)[C@@H](C)C(C)C 42409636 167262759 /nfs/dbraw/zinc/26/27/59/167262759.db2.gz IWJVFAQRIWAGJH-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+]CCCN(C)CC(C)(C)C 45086621 167262861 /nfs/dbraw/zinc/26/28/61/167262861.db2.gz IKQAFRBTGCVCKJ-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@H+](C)CC(C)(C)C 45086621 167262863 /nfs/dbraw/zinc/26/28/63/167262863.db2.gz IKQAFRBTGCVCKJ-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@@H+](C)CC(C)(C)C 45086621 167262865 /nfs/dbraw/zinc/26/28/65/167262865.db2.gz IKQAFRBTGCVCKJ-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CC[NH2+]CC(C)(C)CN(C)CC 51214962 167263081 /nfs/dbraw/zinc/26/30/81/167263081.db2.gz PFMNHLYBQQHEOW-UHFFFAOYSA-N 1 3 172.316 1.574 10 0 ADAEHO CCNCCC[N@H+](C)[C@@H](C)C1CC1 42409602 167263100 /nfs/dbraw/zinc/26/31/00/167263100.db2.gz NXQHICPGGKXSLE-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCNCCC[N@@H+](C)[C@@H](C)C1CC1 42409602 167263101 /nfs/dbraw/zinc/26/31/01/167263101.db2.gz NXQHICPGGKXSLE-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]CCCN(C)[C@@H](C)C1CC1 42409602 167263102 /nfs/dbraw/zinc/26/31/02/167263102.db2.gz NXQHICPGGKXSLE-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]CCCNc1nccn1CC 50614375 167263612 /nfs/dbraw/zinc/26/36/12/167263612.db2.gz DCHDYUIDANSRAP-UHFFFAOYSA-N 1 3 196.298 1.315 10 0 ADAEHO CC[NH2+]CC(C)(C)CN(CC)CC 51208566 167263695 /nfs/dbraw/zinc/26/36/95/167263695.db2.gz KGKSFWGYJNCZEX-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CC[NH2+]CCCN1CC[C@H](C)C1 42409721 167263718 /nfs/dbraw/zinc/26/37/18/167263718.db2.gz APUHIFJOWSVMOK-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CC[NH2+]CCCN(CC)C1CC1 42409497 167263722 /nfs/dbraw/zinc/26/37/22/167263722.db2.gz MWCJNPZVONPFED-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[NH2+]CCCN1C[C@H]2CC[C@@H]1C2 49716591 167263736 /nfs/dbraw/zinc/26/37/36/167263736.db2.gz JNFBTAMFFNXWEN-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[NH2+]CCCNc1ccncc1 38043399 167263800 /nfs/dbraw/zinc/26/38/00/167263800.db2.gz OAHBMLHVQRLQKK-UHFFFAOYSA-N 1 3 179.267 1.493 10 0 ADAEHO CC[NH2+]CC(C)(C)CN(C)CC1CC1 51249735 167263923 /nfs/dbraw/zinc/26/39/23/167263923.db2.gz PPOFQVQOHWOAGF-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC(C)(C)C[N@H+](C)CC1CC1 51249735 167263928 /nfs/dbraw/zinc/26/39/28/167263928.db2.gz PPOFQVQOHWOAGF-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCC(C)(C)C[N@@H+](C)CC1CC1 51249735 167263931 /nfs/dbraw/zinc/26/39/31/167263931.db2.gz PPOFQVQOHWOAGF-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 42409268 167263941 /nfs/dbraw/zinc/26/39/41/167263941.db2.gz VZLZXBRVWBAQQC-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 42409268 167263943 /nfs/dbraw/zinc/26/39/43/167263943.db2.gz VZLZXBRVWBAQQC-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]CCCN(C)[C@H](C)CC 42409505 167264023 /nfs/dbraw/zinc/26/40/23/167264023.db2.gz OGOQAKXTLKPWBR-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@H+](C)[C@H](C)CC 42409505 167264025 /nfs/dbraw/zinc/26/40/25/167264025.db2.gz OGOQAKXTLKPWBR-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCNCCC[N@@H+](C)[C@H](C)CC 42409505 167264027 /nfs/dbraw/zinc/26/40/27/167264027.db2.gz OGOQAKXTLKPWBR-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CC[NH2+]CCNC1CCCC1 44362594 167266020 /nfs/dbraw/zinc/26/60/20/167266020.db2.gz CAUJMGZQJLAIFQ-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO CC[NH2+]CCNC1(C)CCCCC1 45047252 167266690 /nfs/dbraw/zinc/26/66/90/167266690.db2.gz YOYSVYWVCXWFFA-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO CC[NH2+]C[C@@H](C)CN1CCCCC1 38041850 167268853 /nfs/dbraw/zinc/26/88/53/167268853.db2.gz YGEGSZTYRMEFOA-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CC[NH2+]CC[C@@H]1CCCCN1C 49754109 167269651 /nfs/dbraw/zinc/26/96/51/167269651.db2.gz IWEKOAJWRKPIBF-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[NH2+]CC[C@H]1CCCCN1C 49754111 167270365 /nfs/dbraw/zinc/27/03/65/167270365.db2.gz IWEKOAJWRKPIBF-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN(C(C)(C)C)C1 53010288 167270829 /nfs/dbraw/zinc/27/08/29/167270829.db2.gz SAJIXGFTRMIADT-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H]1CC[N@@H+](C(C)(C)C)C1 53010288 167270831 /nfs/dbraw/zinc/27/08/31/167270831.db2.gz SAJIXGFTRMIADT-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H]1CC[N@H+](C(C)(C)C)C1 53010288 167270834 /nfs/dbraw/zinc/27/08/34/167270834.db2.gz SAJIXGFTRMIADT-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN([C@@H]2CC2(C)C)C1 53034376 167271359 /nfs/dbraw/zinc/27/13/59/167271359.db2.gz CLOKCPMSTAVNRG-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN(C2CCC2)C1 53035213 167271370 /nfs/dbraw/zinc/27/13/70/167271370.db2.gz ZXIZPKYDJVAVGU-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC[NH2+]C[C@H]1CCCN(CC)C1 53653977 167271513 /nfs/dbraw/zinc/27/15/13/167271513.db2.gz BYADGWWAXXOMCC-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN(C(C)C)C1 40621946 167271547 /nfs/dbraw/zinc/27/15/47/167271547.db2.gz HBNPRPSZHJPXCD-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]C[C@H](C)CN1CCCCC1 38041851 167271888 /nfs/dbraw/zinc/27/18/88/167271888.db2.gz YGEGSZTYRMEFOA-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCN(CC)C1 53653974 167271922 /nfs/dbraw/zinc/27/19/22/167271922.db2.gz BYADGWWAXXOMCC-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCN(C(C)C)C1 53654021 167271977 /nfs/dbraw/zinc/27/19/77/167271977.db2.gz LMUHGSKEWYXZPT-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@@](C)(CC)CN(C)CC 51215013 167272230 /nfs/dbraw/zinc/27/22/30/167272230.db2.gz UUNSWKBBLHQPAU-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CC[NH2+]C[C@H]1CCCN(C(C)C)C1 53654024 167272552 /nfs/dbraw/zinc/27/25/52/167272552.db2.gz LMUHGSKEWYXZPT-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H]1CC[N@@H+](C2CCCC2)C1 53012535 167272741 /nfs/dbraw/zinc/27/27/41/167272741.db2.gz DGEMRBSKTJIJAU-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CCNC[C@@H]1CC[N@H+](C2CCCC2)C1 53012535 167272743 /nfs/dbraw/zinc/27/27/43/167272743.db2.gz DGEMRBSKTJIJAU-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+]C[C@@H]1CCN(C2CCCC2)C1 53012535 167272747 /nfs/dbraw/zinc/27/27/47/167272747.db2.gz DGEMRBSKTJIJAU-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+]C[C@H]1CCN([C@@H]2CC2(C)C)C1 53034378 167273867 /nfs/dbraw/zinc/27/38/67/167273867.db2.gz CLOKCPMSTAVNRG-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]Cc1ccc(CN(C)C)s1 45206483 167274310 /nfs/dbraw/zinc/27/43/10/167274310.db2.gz UQAZKEGLEXYXIH-UHFFFAOYSA-N 1 3 198.335 1.919 10 0 ADAEHO CC[NH2+]C[C@H]1CCN(C2CCC2)C1 53035216 167274316 /nfs/dbraw/zinc/27/43/16/167274316.db2.gz ZXIZPKYDJVAVGU-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[NH2+]C[C@H]1CCN(C(C)(C)C)C1 53010291 167275151 /nfs/dbraw/zinc/27/51/51/167275151.db2.gz SAJIXGFTRMIADT-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H]1CC[N@@H+](C(C)(C)C)C1 53010291 167275153 /nfs/dbraw/zinc/27/51/53/167275153.db2.gz SAJIXGFTRMIADT-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H]1CC[N@H+](C(C)(C)C)C1 53010291 167275156 /nfs/dbraw/zinc/27/51/56/167275156.db2.gz SAJIXGFTRMIADT-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@H]1CC[N@@H+](C2CCCC2)C1 53012536 167275326 /nfs/dbraw/zinc/27/53/26/167275326.db2.gz DGEMRBSKTJIJAU-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CCNC[C@H]1CC[N@H+](C2CCCC2)C1 53012536 167275328 /nfs/dbraw/zinc/27/53/28/167275328.db2.gz DGEMRBSKTJIJAU-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+]C[C@H]1CCN(C2CCCC2)C1 53012536 167275329 /nfs/dbraw/zinc/27/53/29/167275329.db2.gz DGEMRBSKTJIJAU-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+]C[C@](C)(CC)CN(C)CC 51215012 167275717 /nfs/dbraw/zinc/27/57/17/167275717.db2.gz UUNSWKBBLHQPAU-NSHDSACASA-N 1 3 186.343 1.964 10 0 ADAEHO CC[NH2+]C[C@H]1CCN(C(C)C)C1 40621949 167275725 /nfs/dbraw/zinc/27/57/25/167275725.db2.gz HBNPRPSZHJPXCD-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+]Cc1cccc(CN(C)C)c1 20216496 167276957 /nfs/dbraw/zinc/27/69/57/167276957.db2.gz WLDQKNLGWWBYAN-UHFFFAOYSA-N 1 3 192.306 1.858 10 0 ADAEHO CC[NH2+]Cc1ccccc1CN(C)C 20128649 167277766 /nfs/dbraw/zinc/27/77/66/167277766.db2.gz ULNNQKQGCPSOHF-UHFFFAOYSA-N 1 3 192.306 1.858 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(C)CC(C)C 43886958 167279703 /nfs/dbraw/zinc/27/97/03/167279703.db2.gz OELCXECLKFRAIP-NSHDSACASA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(CC)C1CC1 43822007 167281403 /nfs/dbraw/zinc/28/14/03/167281403.db2.gz LWIRZONKYACJEK-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1CCC[C@@H]1C 43903434 167282075 /nfs/dbraw/zinc/28/20/75/167282075.db2.gz LGZFPBFMHKFLSS-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)CCN1CCCCC1 43814377 167282323 /nfs/dbraw/zinc/28/23/23/167282323.db2.gz CNPNDDQPNLPJPF-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(C)C(C)C 43813583 167282349 /nfs/dbraw/zinc/28/23/49/167282349.db2.gz IFAFJGMNUXETEM-JTQLQIEISA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH2+][C@@H](C)[C@H]1CCCN(CC)C1 37208484 167283628 /nfs/dbraw/zinc/28/36/28/167283628.db2.gz YBIWJYVMJITBBJ-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN[C@@H](C)C[N@@H+]1CCCC1(C)C 63066708 167284119 /nfs/dbraw/zinc/28/41/19/167284119.db2.gz ISNCRAGTJXUYOQ-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@@H](C)C[N@H+]1CCCC1(C)C 63066708 167284121 /nfs/dbraw/zinc/28/41/21/167284121.db2.gz ISNCRAGTJXUYOQ-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H](C)[C@@H]1CCCN(CC)C1 37208482 167285497 /nfs/dbraw/zinc/28/54/97/167285497.db2.gz YBIWJYVMJITBBJ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC2CC2)C[C@@H]1C 49694101 167289260 /nfs/dbraw/zinc/28/92/60/167289260.db2.gz QEIWEEWYJFUZHL-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC(C)C)C[C@@H]1C 49709009 167289454 /nfs/dbraw/zinc/28/94/54/167289454.db2.gz RISFQGOISJLOKZ-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@@H]1CCN(C(C)C)[C@H](C)C1 49694201 167289598 /nfs/dbraw/zinc/28/95/98/167289598.db2.gz PITJZPYBBRRRRU-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N(C)C)C1 75542959 167289614 /nfs/dbraw/zinc/28/96/14/167289614.db2.gz FGNWYDQLHPPJIL-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C 49694187 167289630 /nfs/dbraw/zinc/28/96/30/167289630.db2.gz DIGXQUUNGYRLKM-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 36997057 167290099 /nfs/dbraw/zinc/29/00/99/167290099.db2.gz CRPNVBNTTLNVKZ-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@@H]1CC[N@H+]2CCCC[C@H]12 36997057 167290102 /nfs/dbraw/zinc/29/01/02/167290102.db2.gz CRPNVBNTTLNVKZ-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC(C)C)C[C@H]1C 242648799 167290157 /nfs/dbraw/zinc/29/01/57/167290157.db2.gz RISFQGOISJLOKZ-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C 60743796 167290469 /nfs/dbraw/zinc/29/04/69/167290469.db2.gz DOWYSPLAZQSOPK-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN[C@@H]1CC[N@@H+](C(C)(C)CC)C1 37241715 167290485 /nfs/dbraw/zinc/29/04/85/167290485.db2.gz SHGGAIYQWDMQOO-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@@H]1CC[N@H+](C(C)(C)CC)C1 37241715 167290487 /nfs/dbraw/zinc/29/04/87/167290487.db2.gz SHGGAIYQWDMQOO-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN(C)C 60743803 167290685 /nfs/dbraw/zinc/29/06/85/167290685.db2.gz DOWYSPLAZQSOPK-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN(C)C 53864497 167290816 /nfs/dbraw/zinc/29/08/16/167290816.db2.gz HPEHSSIONJEAEQ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N(C)C)C1 75542955 167290936 /nfs/dbraw/zinc/29/09/36/167290936.db2.gz FGNWYDQLHPPJIL-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@H]1CN(C)C 53864502 167291022 /nfs/dbraw/zinc/29/10/22/167291022.db2.gz HPEHSSIONJEAEQ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCCC1 53861011 167291134 /nfs/dbraw/zinc/29/11/34/167291134.db2.gz AEZOARPYKCSDNK-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCCC1 53861007 167291999 /nfs/dbraw/zinc/29/19/99/167291999.db2.gz AEZOARPYKCSDNK-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 37242336 167292247 /nfs/dbraw/zinc/29/22/47/167292247.db2.gz DWGQYLNDUMGVBU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN[C@@H]1CC[N@H+]([C@@H](C)C(C)C)C1 37242336 167292248 /nfs/dbraw/zinc/29/22/48/167292248.db2.gz DWGQYLNDUMGVBU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H](C)CCN(C)CC 43820690 167295481 /nfs/dbraw/zinc/29/54/81/167295481.db2.gz KWPXBOIRLRCFGE-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CC[NH2+][C@H](C)CCN1CCC[C@@H]1C 43903438 167296108 /nfs/dbraw/zinc/29/61/08/167296108.db2.gz LGZFPBFMHKFLSS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H](C)CCN1CCCCC1 43814379 167296218 /nfs/dbraw/zinc/29/62/18/167296218.db2.gz CNPNDDQPNLPJPF-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CCN[C@H](C)C[N@@H+]1CCCC1(C)C 63066709 167296438 /nfs/dbraw/zinc/29/64/38/167296438.db2.gz ISNCRAGTJXUYOQ-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@H](C)C[N@H+]1CCCC1(C)C 63066709 167296441 /nfs/dbraw/zinc/29/64/41/167296441.db2.gz ISNCRAGTJXUYOQ-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H](C)CCN(CC)C1CC1 43822010 167296698 /nfs/dbraw/zinc/29/66/98/167296698.db2.gz LWIRZONKYACJEK-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H](C)[C@H]1CCCN(CC)C1 37208485 167296800 /nfs/dbraw/zinc/29/68/00/167296800.db2.gz YBIWJYVMJITBBJ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+][C@H](C)CCN(C)C(C)C 43813585 167296846 /nfs/dbraw/zinc/29/68/46/167296846.db2.gz IFAFJGMNUXETEM-SNVBAGLBSA-N 1 3 172.316 1.715 10 0 ADAEHO CC[NH2+][C@H](C)[C@@H]1CCCN(CC)C1 37208483 167296907 /nfs/dbraw/zinc/29/69/07/167296907.db2.gz YBIWJYVMJITBBJ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+][C@H](C)CCN(C)CC(C)C 43886960 167297014 /nfs/dbraw/zinc/29/70/14/167297014.db2.gz OELCXECLKFRAIP-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[NH2+][C@H]1CCN(C(C)C)[C@H](C)C1 49694202 167300411 /nfs/dbraw/zinc/30/04/11/167300411.db2.gz PITJZPYBBRRRRU-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CCN[C@H]1CC[N@@H+](C(C)(C)CC)C1 37241713 167300500 /nfs/dbraw/zinc/30/05/00/167300500.db2.gz SHGGAIYQWDMQOO-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@H]1CC[N@H+](C(C)(C)CC)C1 37241713 167300504 /nfs/dbraw/zinc/30/05/04/167300504.db2.gz SHGGAIYQWDMQOO-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@H]1CN(C)C 53864503 167300824 /nfs/dbraw/zinc/30/08/24/167300824.db2.gz HPEHSSIONJEAEQ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+][C@H]1CCN(CC(C)C)C[C@@H]1C 49709011 167301146 /nfs/dbraw/zinc/30/11/46/167301146.db2.gz RISFQGOISJLOKZ-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 36997058 167301668 /nfs/dbraw/zinc/30/16/68/167301668.db2.gz CRPNVBNTTLNVKZ-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@H]1CC[N@H+]2CCCC[C@H]12 36997058 167301672 /nfs/dbraw/zinc/30/16/72/167301672.db2.gz CRPNVBNTTLNVKZ-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@@H]1CN(C)C 53864500 167301826 /nfs/dbraw/zinc/30/18/26/167301826.db2.gz HPEHSSIONJEAEQ-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[NH2+][C@H]1CCN(CC2CC2)C[C@@H]1C 49694102 167301973 /nfs/dbraw/zinc/30/19/73/167301973.db2.gz QEIWEEWYJFUZHL-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN(C)C 60743800 167302135 /nfs/dbraw/zinc/30/21/35/167302135.db2.gz DOWYSPLAZQSOPK-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCCC1 53861013 167302248 /nfs/dbraw/zinc/30/22/48/167302248.db2.gz AEZOARPYKCSDNK-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C 49694188 167302367 /nfs/dbraw/zinc/30/23/67/167302367.db2.gz DIGXQUUNGYRLKM-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H]1CCN(CC(C)C)C[C@H]1C 242648798 167302453 /nfs/dbraw/zinc/30/24/53/167302453.db2.gz RISFQGOISJLOKZ-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN[C@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 37242338 167302519 /nfs/dbraw/zinc/30/25/19/167302519.db2.gz DWGQYLNDUMGVBU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CCN[C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 37242338 167302521 /nfs/dbraw/zinc/30/25/21/167302521.db2.gz DWGQYLNDUMGVBU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCCC1 53861009 167302721 /nfs/dbraw/zinc/30/27/21/167302721.db2.gz AEZOARPYKCSDNK-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+][C@H]1CCCC[C@H]1CN(C)C 60743804 167302867 /nfs/dbraw/zinc/30/28/67/167302867.db2.gz DOWYSPLAZQSOPK-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+][C@H]1CC[C@@H](N(C)C)C1 75542962 167304908 /nfs/dbraw/zinc/30/49/08/167304908.db2.gz FGNWYDQLHPPJIL-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[NH2+][C@H]1CC[C@H](N(C)C)C1 75542957 167305563 /nfs/dbraw/zinc/30/55/63/167305563.db2.gz FGNWYDQLHPPJIL-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CCOCCC[N@H+](C)[C@H](C)CCN 49806340 167384962 /nfs/dbraw/zinc/38/49/62/167384962.db2.gz JFBKGKYPNWVRLY-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CCOCCC[N@@H+](C)[C@H](C)CCN 49806340 167384964 /nfs/dbraw/zinc/38/49/64/167384964.db2.gz JFBKGKYPNWVRLY-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CCOCCCN(C)[C@H](C)CC[NH3+] 49806340 167384966 /nfs/dbraw/zinc/38/49/66/167384966.db2.gz JFBKGKYPNWVRLY-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CCOCCC[N@H+](C)[C@@H](C)CCN 49806339 167385654 /nfs/dbraw/zinc/38/56/54/167385654.db2.gz JFBKGKYPNWVRLY-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCOCCC[N@@H+](C)[C@@H](C)CCN 49806339 167385655 /nfs/dbraw/zinc/38/56/55/167385655.db2.gz JFBKGKYPNWVRLY-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CCOCCCN(C)[C@@H](C)CC[NH3+] 49806339 167385657 /nfs/dbraw/zinc/38/56/57/167385657.db2.gz JFBKGKYPNWVRLY-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H]1CCCNC1 40407802 167472210 /nfs/dbraw/zinc/47/22/10/167472210.db2.gz COIXJRBMFLYLLE-NXEZZACHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CCCCC1 36677458 167506256 /nfs/dbraw/zinc/50/62/56/167506256.db2.gz MWEAUORWECRAKR-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@H]([NH3+])[C@@H](C)N1CCCC1 23066559 167657637 /nfs/dbraw/zinc/65/76/37/167657637.db2.gz GZPWUECYVMFUPA-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@]1(C[NH2+]C2CC2)CCC[C@@H]1N 134951098 343951985 /nfs/dbraw/zinc/95/19/85/343951985.db2.gz VWQGGHKFOVVYAB-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@]1(CNC2CC2)CCC[C@@H]1[NH3+] 134951098 343951987 /nfs/dbraw/zinc/95/19/87/343951987.db2.gz VWQGGHKFOVVYAB-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)[NH2+]C[C@]1(C)CCC[C@H]1N 134950897 343952003 /nfs/dbraw/zinc/95/20/03/343952003.db2.gz AQXKUCYSOAYPQV-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[NH2+]C[C@@]1(C)CCC[C@@H]1N 134950876 343952042 /nfs/dbraw/zinc/95/20/42/343952042.db2.gz AQXKUCYSOAYPQV-VHSXEESVSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@]1(C[NH2+]C2CC2)CCC[C@H]1N 134951149 343952077 /nfs/dbraw/zinc/95/20/77/343952077.db2.gz VWQGGHKFOVVYAB-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@]1(CNC2CC2)CCC[C@H]1[NH3+] 134951149 343952079 /nfs/dbraw/zinc/95/20/79/343952079.db2.gz VWQGGHKFOVVYAB-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO CN(C)CC(C)(C)C(C)(C)[NH3+] 17414172 167833580 /nfs/dbraw/zinc/83/35/80/167833580.db2.gz NJQKAJAMVFLHLS-UHFFFAOYSA-N 1 3 158.289 1.312 10 0 ADAEHO CN(C)C[C@@H]1CCCCC[C@H]1[NH3+] 53864648 167842041 /nfs/dbraw/zinc/84/20/41/167842041.db2.gz GLADQBHOQXCBQZ-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)C[C@@H]1CCCCC[C@@H]1[NH3+] 53864644 167843344 /nfs/dbraw/zinc/84/33/44/167843344.db2.gz GLADQBHOQXCBQZ-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)Cc1ccccc1C(C)(C)[NH3+] 33487311 167846152 /nfs/dbraw/zinc/84/61/52/167846152.db2.gz AZMABQXUFTZOML-UHFFFAOYSA-N 1 3 192.306 1.942 10 0 ADAEHO C[NH2+]C1CCN([C@@H](C)C2CC2)CC1 35733656 167983468 /nfs/dbraw/zinc/98/34/68/167983468.db2.gz OEDNSBLLUDJAND-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@@H](C)C2CC2)CC1 35733656 167983469 /nfs/dbraw/zinc/98/34/69/167983469.db2.gz OEDNSBLLUDJAND-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+]CC[C@H](C)N1CCCCC1 52421209 168000018 /nfs/dbraw/zinc/00/00/18/168000018.db2.gz LUSXPOMUCWLKAS-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CNCC[C@H](C)[NH+]1CCCCC1 52421209 168000021 /nfs/dbraw/zinc/00/00/21/168000021.db2.gz LUSXPOMUCWLKAS-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO C[NH2+]CC[C@H](C)N1CCC(C)CC1 52376972 168000151 /nfs/dbraw/zinc/00/01/51/168000151.db2.gz MDMOLOBDOFSGFY-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC[C@H](C)[NH+]1CCC(C)CC1 52376972 168000152 /nfs/dbraw/zinc/00/01/52/168000152.db2.gz MDMOLOBDOFSGFY-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC[C@@H](C)N1CCCCC1 52421210 168000155 /nfs/dbraw/zinc/00/01/55/168000155.db2.gz LUSXPOMUCWLKAS-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CNCC[C@@H](C)[NH+]1CCCCC1 52421210 168000157 /nfs/dbraw/zinc/00/01/57/168000157.db2.gz LUSXPOMUCWLKAS-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CNCC[C@@H](C)[NH+]1CCCCCC1 52381879 168000736 /nfs/dbraw/zinc/00/07/36/168000736.db2.gz OBSXXBQACSLIKA-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CNCC[C@H](C)[N@@H+]1CC[C@@H](C)C1 52484420 168000774 /nfs/dbraw/zinc/00/07/74/168000774.db2.gz RNDOWENPQYEGAE-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCC[C@H](C)[N@H+]1CC[C@@H](C)C1 52484420 168000776 /nfs/dbraw/zinc/00/07/76/168000776.db2.gz RNDOWENPQYEGAE-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]CCc1ccccc1CN(C)C 82891751 168001328 /nfs/dbraw/zinc/00/13/28/168001328.db2.gz OSSVQZQFNMSEQH-UHFFFAOYSA-N 1 3 192.306 1.510 10 0 ADAEHO C[NH2+]CCc1ccc(CN(C)C)cc1 82891750 168002395 /nfs/dbraw/zinc/00/23/95/168002395.db2.gz ZOILENUEAJKTKE-UHFFFAOYSA-N 1 3 192.306 1.510 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCC(C)CC1 52376897 168003275 /nfs/dbraw/zinc/00/32/75/168003275.db2.gz MKGRLUOVEJGDPI-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[NH+]1CCC(C)CC1 52376897 168003276 /nfs/dbraw/zinc/00/32/76/168003276.db2.gz MKGRLUOVEJGDPI-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H](C)C[NH+]1CCCCCC1 52381807 168003509 /nfs/dbraw/zinc/00/35/09/168003509.db2.gz ZNJGDFJDXAGOJL-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCC(C)(C)CC1 61823288 168003635 /nfs/dbraw/zinc/00/36/35/168003635.db2.gz UGCUQURTTCZMCR-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@H](C)C[NH+]1CCC(C)(C)CC1 61823288 168003636 /nfs/dbraw/zinc/00/36/36/168003636.db2.gz UGCUQURTTCZMCR-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@H](C(C)C)[NH+]1CCCC1 52377266 168004001 /nfs/dbraw/zinc/00/40/01/168004001.db2.gz WZHYSCCRCHYOGW-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCCCC1 52421172 168004161 /nfs/dbraw/zinc/00/41/61/168004161.db2.gz PNEMOOUWJHLMOP-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CNC[C@@H](CC(C)C)[NH+]1CCCC1 83965221 168006119 /nfs/dbraw/zinc/00/61/19/168006119.db2.gz JALAJNLLJGNFAJ-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C2CCCC2)C1 11891852 168006579 /nfs/dbraw/zinc/00/65/79/168006579.db2.gz KTJPLXASYIEAGB-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C2CCCC2)C1 11891852 168006580 /nfs/dbraw/zinc/00/65/80/168006580.db2.gz KTJPLXASYIEAGB-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN1c1ccncc1 53703694 168006586 /nfs/dbraw/zinc/00/65/86/168006586.db2.gz MSGDISGHLVVXIC-NSHDSACASA-N 1 3 191.278 1.270 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C2CCCCC2)C1 11891858 168006867 /nfs/dbraw/zinc/00/68/67/168006867.db2.gz UFIORSCBRJUNCE-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C2CCCCC2)C1 11891858 168006869 /nfs/dbraw/zinc/00/68/69/168006869.db2.gz UFIORSCBRJUNCE-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(CC(C)(C)C)C1 53031525 168006932 /nfs/dbraw/zinc/00/69/32/168006932.db2.gz ZSLKXUBSZPNPTB-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CC(C)(C)C)C1 53031525 168006934 /nfs/dbraw/zinc/00/69/34/168006934.db2.gz ZSLKXUBSZPNPTB-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CC(C)(C)C)C1 53031525 168006936 /nfs/dbraw/zinc/00/69/36/168006936.db2.gz ZSLKXUBSZPNPTB-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@@H]1CCC[N@@H+](C2CCCC2)C1 40591860 168007048 /nfs/dbraw/zinc/00/70/48/168007048.db2.gz FKXWTGUZDQUGRF-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@H]1CCC[N@H+](C2CCCC2)C1 40591860 168007050 /nfs/dbraw/zinc/00/70/50/168007050.db2.gz FKXWTGUZDQUGRF-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN(C2CCCC2)C1 40591860 168007051 /nfs/dbraw/zinc/00/70/51/168007051.db2.gz FKXWTGUZDQUGRF-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C[C@@H]1CCCN(CC(C)(C)C)C1 11888659 168007600 /nfs/dbraw/zinc/00/76/00/168007600.db2.gz ALCRPRCPSUGEJM-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(C2CCC2)C1 53035209 168008176 /nfs/dbraw/zinc/00/81/76/168008176.db2.gz PMGDHHSDDREWEG-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C(C)(C)C)C1 11892082 168008310 /nfs/dbraw/zinc/00/83/10/168008310.db2.gz VXVRWBSDMAVKPY-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C(C)(C)C)C1 11892082 168008312 /nfs/dbraw/zinc/00/83/12/168008312.db2.gz VXVRWBSDMAVKPY-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H](C(C)C)[NH+]1CCCC1 52377264 168008563 /nfs/dbraw/zinc/00/85/63/168008563.db2.gz WZHYSCCRCHYOGW-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCCC[C@@H]1C 52378582 168008994 /nfs/dbraw/zinc/00/89/94/168008994.db2.gz NUCPRCYKUMWTSF-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCCC[C@@H]1C 52378582 168008996 /nfs/dbraw/zinc/00/89/96/168008996.db2.gz NUCPRCYKUMWTSF-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCCC[C@@H]1C 52378582 168008998 /nfs/dbraw/zinc/00/89/98/168008998.db2.gz NUCPRCYKUMWTSF-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CC[C@@H](C)C1 52484332 168009056 /nfs/dbraw/zinc/00/90/56/168009056.db2.gz MWYFVQLQJIAKFQ-ZJUUUORDSA-N 1 3 170.300 1.184 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CC[C@@H](C)C1 52484332 168009058 /nfs/dbraw/zinc/00/90/58/168009058.db2.gz MWYFVQLQJIAKFQ-ZJUUUORDSA-N 1 3 170.300 1.184 10 0 ADAEHO CNC[C@H](C)C[NH+]1CCCCCC1 52381805 168009070 /nfs/dbraw/zinc/00/90/70/168009070.db2.gz ZNJGDFJDXAGOJL-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 52381160 168009105 /nfs/dbraw/zinc/00/91/05/168009105.db2.gz XVIBMDSPRZQAAH-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@@H](C)C1 52381160 168009107 /nfs/dbraw/zinc/00/91/07/168009107.db2.gz XVIBMDSPRZQAAH-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCC[C@@H](C)C1 52381160 168009109 /nfs/dbraw/zinc/00/91/09/168009109.db2.gz XVIBMDSPRZQAAH-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCCCC1 52421171 168009949 /nfs/dbraw/zinc/00/99/49/168009949.db2.gz PNEMOOUWJHLMOP-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCC(C)(C)CC1 61823287 168009974 /nfs/dbraw/zinc/00/99/74/168009974.db2.gz UGCUQURTTCZMCR-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[NH+]1CCC(C)(C)CC1 61823287 168009976 /nfs/dbraw/zinc/00/99/76/168009976.db2.gz UGCUQURTTCZMCR-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1CCC[C@@H]1C 52375625 168010068 /nfs/dbraw/zinc/01/00/68/168010068.db2.gz GUQFEOTVLFTJOV-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H](C)C[N@H+]1CCC[C@@H]1C 52375625 168010070 /nfs/dbraw/zinc/01/00/70/168010070.db2.gz GUQFEOTVLFTJOV-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@H](C)CN1CCC(C)CC1 52376895 168010128 /nfs/dbraw/zinc/01/01/28/168010128.db2.gz MKGRLUOVEJGDPI-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](C)C[NH+]1CCC(C)CC1 52376895 168010129 /nfs/dbraw/zinc/01/01/29/168010129.db2.gz MKGRLUOVEJGDPI-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H](CC(C)C)[NH+]1CCCC1 83965219 168010400 /nfs/dbraw/zinc/01/04/00/168010400.db2.gz JALAJNLLJGNFAJ-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CCCN1c1ccncc1 53703695 168012464 /nfs/dbraw/zinc/01/24/64/168012464.db2.gz MSGDISGHLVVXIC-LLVKDONJSA-N 1 3 191.278 1.270 10 0 ADAEHO CNC[C@H]1CCC[N@@H+](C2CCCC2)C1 40591862 168012703 /nfs/dbraw/zinc/01/27/03/168012703.db2.gz FKXWTGUZDQUGRF-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@H]1CCC[N@H+](C2CCCC2)C1 40591862 168012705 /nfs/dbraw/zinc/01/27/05/168012705.db2.gz FKXWTGUZDQUGRF-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C[C@H]1CCCN(C2CCCC2)C1 40591862 168012708 /nfs/dbraw/zinc/01/27/08/168012708.db2.gz FKXWTGUZDQUGRF-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]C[C@H]1CCCN(CC(C)(C)C)C1 11888663 168012804 /nfs/dbraw/zinc/01/28/04/168012804.db2.gz ALCRPRCPSUGEJM-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1 40592433 168012901 /nfs/dbraw/zinc/01/29/01/168012901.db2.gz PWFLYUHVMMHMDG-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 40592433 168012902 /nfs/dbraw/zinc/01/29/02/168012902.db2.gz PWFLYUHVMMHMDG-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H]1CCC[N@@H+]([C@@H](C)C2CC2)C1 40592757 168013139 /nfs/dbraw/zinc/01/31/39/168013139.db2.gz LISPZEZSHKSEGE-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 40592757 168013140 /nfs/dbraw/zinc/01/31/40/168013140.db2.gz LISPZEZSHKSEGE-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H]1CCCN([C@@H](C)C2CC2)C1 40592757 168013142 /nfs/dbraw/zinc/01/31/42/168013142.db2.gz LISPZEZSHKSEGE-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C2CCCCC2)C1 11891863 168013840 /nfs/dbraw/zinc/01/38/40/168013840.db2.gz UFIORSCBRJUNCE-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@H]1CC[N@H+](C2CCCCC2)C1 11891863 168013841 /nfs/dbraw/zinc/01/38/41/168013841.db2.gz UFIORSCBRJUNCE-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 53031142 168013960 /nfs/dbraw/zinc/01/39/60/168013960.db2.gz HDWVUTWCRFHXHW-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 53031142 168013963 /nfs/dbraw/zinc/01/39/63/168013963.db2.gz HDWVUTWCRFHXHW-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)(C)C)C1 11892086 168014016 /nfs/dbraw/zinc/01/40/16/168014016.db2.gz VXVRWBSDMAVKPY-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)(C)C)C1 11892086 168014019 /nfs/dbraw/zinc/01/40/19/168014019.db2.gz VXVRWBSDMAVKPY-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C[C@H]1CCN(C2CCC2)C1 53035211 168014163 /nfs/dbraw/zinc/01/41/63/168014163.db2.gz PMGDHHSDDREWEG-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 53013318 168014303 /nfs/dbraw/zinc/01/43/03/168014303.db2.gz QLJYMWVQTHQIPR-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 53013318 168014305 /nfs/dbraw/zinc/01/43/05/168014305.db2.gz QLJYMWVQTHQIPR-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+]C[C@H]1CCN([C@@H]2CC2(C)C)C1 53034374 168014385 /nfs/dbraw/zinc/01/43/85/168014385.db2.gz AQVYEEYAUATALR-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+]C[C@H]1CCN(CC(C)(C)C)C1 53031524 168014486 /nfs/dbraw/zinc/01/44/86/168014486.db2.gz ZSLKXUBSZPNPTB-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H]1CC[N@H+](CC(C)(C)C)C1 53031524 168014487 /nfs/dbraw/zinc/01/44/87/168014487.db2.gz ZSLKXUBSZPNPTB-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CC(C)(C)C)C1 53031524 168014488 /nfs/dbraw/zinc/01/44/88/168014488.db2.gz ZSLKXUBSZPNPTB-SNVBAGLBSA-N 1 3 184.327 1.574 10 0 ADAEHO C[NH2+]C[C@H]1CCN([C@H]2CC2(C)C)C1 53034372 168014515 /nfs/dbraw/zinc/01/45/15/168014515.db2.gz AQVYEEYAUATALR-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C2CCCC2)C1 11891854 168014647 /nfs/dbraw/zinc/01/46/47/168014647.db2.gz KTJPLXASYIEAGB-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@H]1CC[N@H+](C2CCCC2)C1 11891854 168014649 /nfs/dbraw/zinc/01/46/49/168014649.db2.gz KTJPLXASYIEAGB-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]Cc1ccc2c(c1)CNC2 58235686 168018533 /nfs/dbraw/zinc/01/85/33/168018533.db2.gz XKAROZAHGZNJTD-UHFFFAOYSA-N 1 3 162.236 1.009 10 0 ADAEHO C[NH2+]Cc1ccc(CN(C)C)s1 16942857 168019239 /nfs/dbraw/zinc/01/92/39/168019239.db2.gz KETCZXQWLJIWJB-UHFFFAOYSA-N 1 3 184.308 1.529 10 0 ADAEHO C[NH2+]Cc1coc(CN2CCCC2)c1 52377464 168021717 /nfs/dbraw/zinc/02/17/17/168021717.db2.gz JJCLZOLUUOFKAG-UHFFFAOYSA-N 1 3 194.278 1.595 10 0 ADAEHO C[NH2+][C@@H](C)CNC1CCCCCC1 54077087 168031722 /nfs/dbraw/zinc/03/17/22/168031722.db2.gz FWWMQVXCLUTXDH-JTQLQIEISA-N 1 3 184.327 1.907 10 0 ADAEHO CN[C@@H](C)CC[N@H+](C)C1CCCC1 43883802 168031937 /nfs/dbraw/zinc/03/19/37/168031937.db2.gz IBIXJPRXZYUDDW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H](C)CC[N@@H+](C)C1CCCC1 43883802 168031940 /nfs/dbraw/zinc/03/19/40/168031940.db2.gz IBIXJPRXZYUDDW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)C1CCCC1 43883802 168031943 /nfs/dbraw/zinc/03/19/43/168031943.db2.gz IBIXJPRXZYUDDW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)C(C)C 43813254 168032124 /nfs/dbraw/zinc/03/21/24/168032124.db2.gz NCGFGCYPNJDFCL-VIFPVBQESA-N 1 3 158.289 1.325 10 0 ADAEHO CN[C@@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43894823 168032157 /nfs/dbraw/zinc/03/21/57/168032157.db2.gz XMBCKWCQOVZGAG-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 43894823 168032158 /nfs/dbraw/zinc/03/21/58/168032158.db2.gz XMBCKWCQOVZGAG-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)[C@@H](C)C1CC1 43894823 168032160 /nfs/dbraw/zinc/03/21/60/168032160.db2.gz XMBCKWCQOVZGAG-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CNC1CCCCC1 53493305 168032169 /nfs/dbraw/zinc/03/21/69/168032169.db2.gz LWXHUXDVCNWZOS-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO C[NH2+][C@@H](C)CNC1(C)CCCCC1 54077191 168032694 /nfs/dbraw/zinc/03/26/94/168032694.db2.gz VSUSNULKCFYECR-JTQLQIEISA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCCCC1 43814106 168032709 /nfs/dbraw/zinc/03/27/09/168032709.db2.gz NJRAELVDMAEYIB-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)CC(C)C 43886689 168033233 /nfs/dbraw/zinc/03/32/33/168033233.db2.gz OCYSPAXCIRNLFE-JTQLQIEISA-N 1 3 172.316 1.572 10 0 ADAEHO CN[C@@H](C)CC[N@H+](C)CC(C)C 43886689 168033234 /nfs/dbraw/zinc/03/32/34/168033234.db2.gz OCYSPAXCIRNLFE-JTQLQIEISA-N 1 3 172.316 1.572 10 0 ADAEHO CN[C@@H](C)CC[N@@H+](C)CC(C)C 43886689 168033235 /nfs/dbraw/zinc/03/32/35/168033235.db2.gz OCYSPAXCIRNLFE-JTQLQIEISA-N 1 3 172.316 1.572 10 0 ADAEHO CN[C@@H](C)CC[NH+]1CCCCCC1 43812123 168033313 /nfs/dbraw/zinc/03/33/13/168033313.db2.gz OGHBCLQZSIHKIT-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCCCCC1 43812123 168033314 /nfs/dbraw/zinc/03/33/14/168033314.db2.gz OGHBCLQZSIHKIT-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+][C@@H](C)CNC1CCCC1 53493294 168033463 /nfs/dbraw/zinc/03/34/63/168033463.db2.gz WQVJDHBBUAIRCW-QMMMGPOBSA-N 1 3 156.273 1.127 10 0 ADAEHO C[NH2+][C@@H](C)CCN(C)CC(C)(C)C 45072933 168033471 /nfs/dbraw/zinc/03/34/71/168033471.db2.gz GJXNYQXFDFCOFE-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CN[C@@H](C)CC[N@H+](C)CC(C)(C)C 45072933 168033472 /nfs/dbraw/zinc/03/34/72/168033472.db2.gz GJXNYQXFDFCOFE-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CN[C@@H](C)CC[N@@H+](C)CC(C)(C)C 45072933 168033473 /nfs/dbraw/zinc/03/34/73/168033473.db2.gz GJXNYQXFDFCOFE-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO C[NH2+][C@@H]1CCCCC[C@H]1CN(C)C 53864655 168038809 /nfs/dbraw/zinc/03/88/09/168038809.db2.gz BHRAUIJGRWDMJL-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+][C@@H]1CCCCC[C@@H]1CN(C)C 53864652 168038960 /nfs/dbraw/zinc/03/89/60/168038960.db2.gz BHRAUIJGRWDMJL-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCCC2)C1 37241665 168040161 /nfs/dbraw/zinc/04/01/61/168040161.db2.gz SHAULALTEOZQIV-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCCC2)C1 37241665 168040162 /nfs/dbraw/zinc/04/01/62/168040162.db2.gz SHAULALTEOZQIV-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 37240239 168040175 /nfs/dbraw/zinc/04/01/75/168040175.db2.gz VEQXDPGAOLOVBC-MRVPVSSYSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)(C)C)C1 37240239 168040176 /nfs/dbraw/zinc/04/01/76/168040176.db2.gz VEQXDPGAOLOVBC-MRVPVSSYSA-N 1 3 156.273 1.079 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@H]1CN1CCCC1 60720680 168040217 /nfs/dbraw/zinc/04/02/17/168040217.db2.gz GQXZUAAVIRQQLY-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)[C@H](C)C1 49709025 168040230 /nfs/dbraw/zinc/04/02/30/168040230.db2.gz AHKWQBOWFXXLCG-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709025 168040232 /nfs/dbraw/zinc/04/02/32/168040232.db2.gz AHKWQBOWFXXLCG-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 49709025 168040234 /nfs/dbraw/zinc/04/02/34/168040234.db2.gz AHKWQBOWFXXLCG-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)[C@@H](C)C1 49694198 168040248 /nfs/dbraw/zinc/04/02/48/168040248.db2.gz YFXBKYAMOZCAAD-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)C)[C@@H](C)C1 49694198 168040251 /nfs/dbraw/zinc/04/02/51/168040251.db2.gz YFXBKYAMOZCAAD-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)C)[C@@H](C)C1 49694198 168040252 /nfs/dbraw/zinc/04/02/52/168040252.db2.gz YFXBKYAMOZCAAD-VHSXEESVSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 37241739 168040286 /nfs/dbraw/zinc/04/02/86/168040286.db2.gz LTCHMKYDMGFEKH-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCCCC2)C1 37241739 168040287 /nfs/dbraw/zinc/04/02/87/168040287.db2.gz LTCHMKYDMGFEKH-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CCC2)[C@@H](C)C1 52210798 168040328 /nfs/dbraw/zinc/04/03/28/168040328.db2.gz AKXRWLILJXEUKD-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCC2)[C@@H](C)C1 52210798 168040330 /nfs/dbraw/zinc/04/03/30/168040330.db2.gz AKXRWLILJXEUKD-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCC2)[C@@H](C)C1 52210798 168040332 /nfs/dbraw/zinc/04/03/32/168040332.db2.gz AKXRWLILJXEUKD-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN(C)C1CC1 60744089 168040458 /nfs/dbraw/zinc/04/04/58/168040458.db2.gz NYRHVYBRIBDJBF-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1CN1CCCC1 53861116 168040479 /nfs/dbraw/zinc/04/04/79/168040479.db2.gz PFMUJHORWREEDF-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@@H]1CCC[C@H]1C[NH+]1CCCC1 53861116 168040481 /nfs/dbraw/zinc/04/04/81/168040481.db2.gz PFMUJHORWREEDF-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)[C@@H](C)C1 49709027 168040581 /nfs/dbraw/zinc/04/05/81/168040581.db2.gz AHKWQBOWFXXLCG-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 49709027 168040582 /nfs/dbraw/zinc/04/05/82/168040582.db2.gz AHKWQBOWFXXLCG-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 49709027 168040583 /nfs/dbraw/zinc/04/05/83/168040583.db2.gz AHKWQBOWFXXLCG-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CC2)[C@H](C)C1 49694111 168040710 /nfs/dbraw/zinc/04/07/10/168040710.db2.gz ZZBWRLMFVSJOEK-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2CC2)[C@H](C)C1 49694111 168040713 /nfs/dbraw/zinc/04/07/13/168040713.db2.gz ZZBWRLMFVSJOEK-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2CC2)[C@H](C)C1 49694111 168040715 /nfs/dbraw/zinc/04/07/15/168040715.db2.gz ZZBWRLMFVSJOEK-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN(C)C 26443019 168040753 /nfs/dbraw/zinc/04/07/53/168040753.db2.gz SCFHAZLKFCAJFJ-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)C[C@H]1C 242543436 168040928 /nfs/dbraw/zinc/04/09/28/168040928.db2.gz JZXRKTDYCWWMAX-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1CN1CCCC1 53861114 168041016 /nfs/dbraw/zinc/04/10/16/168041016.db2.gz PFMUJHORWREEDF-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1C[NH+]1CCCC1 53861114 168041018 /nfs/dbraw/zinc/04/10/18/168041018.db2.gz PFMUJHORWREEDF-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CCC2)[C@H](C)C1 49710581 168041043 /nfs/dbraw/zinc/04/10/43/168041043.db2.gz MZIGRXPDMYBGRI-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2CCC2)[C@H](C)C1 49710581 168041044 /nfs/dbraw/zinc/04/10/44/168041044.db2.gz MZIGRXPDMYBGRI-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 49710581 168041045 /nfs/dbraw/zinc/04/10/45/168041045.db2.gz MZIGRXPDMYBGRI-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CC2)[C@@H](C)C1 49694112 168041162 /nfs/dbraw/zinc/04/11/62/168041162.db2.gz ZZBWRLMFVSJOEK-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2CC2)[C@@H](C)C1 49694112 168041166 /nfs/dbraw/zinc/04/11/66/168041166.db2.gz ZZBWRLMFVSJOEK-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2CC2)[C@@H](C)C1 49694112 168041167 /nfs/dbraw/zinc/04/11/67/168041167.db2.gz ZZBWRLMFVSJOEK-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1CN(C)C1CC1 53865479 168041202 /nfs/dbraw/zinc/04/12/02/168041202.db2.gz WNXFOVPKAPRXGX-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CCC2)[C@H](C)C1 52210795 168041461 /nfs/dbraw/zinc/04/14/61/168041461.db2.gz AKXRWLILJXEUKD-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCC2)[C@H](C)C1 52210795 168041463 /nfs/dbraw/zinc/04/14/63/168041463.db2.gz AKXRWLILJXEUKD-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCC2)[C@H](C)C1 52210795 168041464 /nfs/dbraw/zinc/04/14/64/168041464.db2.gz AKXRWLILJXEUKD-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1CN1CCCCC1 53862515 168041837 /nfs/dbraw/zinc/04/18/37/168041837.db2.gz HEDDMOWHMRGBMN-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 37242071 168041858 /nfs/dbraw/zinc/04/18/58/168041858.db2.gz WCLQVGPMQFYFKA-MOENNCHZSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 37242071 168041860 /nfs/dbraw/zinc/04/18/60/168041860.db2.gz WCLQVGPMQFYFKA-MOENNCHZSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@H]1CN(C)C1CC1 60744095 168041935 /nfs/dbraw/zinc/04/19/35/168041935.db2.gz NYRHVYBRIBDJBF-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@@H]1CN1CCCC1 60720678 168041974 /nfs/dbraw/zinc/04/19/74/168041974.db2.gz GQXZUAAVIRQQLY-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1CN1CCCCC1 53862518 168042071 /nfs/dbraw/zinc/04/20/71/168042071.db2.gz HEDDMOWHMRGBMN-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)(C)C)[C@H](C)C1 49694134 168042100 /nfs/dbraw/zinc/04/21/00/168042100.db2.gz DVHBDKFSZQAHCJ-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)(C)C)[C@H](C)C1 49694134 168042101 /nfs/dbraw/zinc/04/21/01/168042101.db2.gz DVHBDKFSZQAHCJ-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)(C)C)[C@H](C)C1 49694134 168042102 /nfs/dbraw/zinc/04/21/02/168042102.db2.gz DVHBDKFSZQAHCJ-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 45630724 168042839 /nfs/dbraw/zinc/04/28/39/168042839.db2.gz OKWYBLMZIQRTIJ-NWDGAFQWSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 45630724 168042840 /nfs/dbraw/zinc/04/28/40/168042840.db2.gz OKWYBLMZIQRTIJ-NWDGAFQWSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@@H]1CC[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]21 216048492 168043709 /nfs/dbraw/zinc/04/37/09/168043709.db2.gz ZITNEXQPOKJERH-GARJFASQSA-N 1 3 196.338 1.715 10 0 ADAEHO CN[C@@H]1CC[C@H]2C[N@H+](C(C)(C)C)C[C@@H]21 216048492 168043710 /nfs/dbraw/zinc/04/37/10/168043710.db2.gz ZITNEXQPOKJERH-GARJFASQSA-N 1 3 196.338 1.715 10 0 ADAEHO CN[C@@H]1CC[C@@H]2C[N@@H+](C(C)(C)C)C[C@@H]21 216048391 168043937 /nfs/dbraw/zinc/04/39/37/168043937.db2.gz ZITNEXQPOKJERH-OUAUKWLOSA-N 1 3 196.338 1.715 10 0 ADAEHO CN[C@@H]1CC[C@@H]2C[N@H+](C(C)(C)C)C[C@@H]21 216048391 168043938 /nfs/dbraw/zinc/04/39/38/168043938.db2.gz ZITNEXQPOKJERH-OUAUKWLOSA-N 1 3 196.338 1.715 10 0 ADAEHO C[NH2+][C@@H](C)CN1CC[C@H]2CCCC[C@@H]21 134816217 343949658 /nfs/dbraw/zinc/94/96/58/343949658.db2.gz FPRWPBDHOFXTDC-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CC[C@H]2CCCC[C@@H]21 134816217 343949660 /nfs/dbraw/zinc/94/96/60/343949660.db2.gz FPRWPBDHOFXTDC-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CC[C@H]2CCCC[C@@H]21 134816217 343949661 /nfs/dbraw/zinc/94/96/61/343949661.db2.gz FPRWPBDHOFXTDC-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@](C)(C[NH3+])CCc1ccccc1 50269927 168045302 /nfs/dbraw/zinc/04/53/02/168045302.db2.gz ZLNYXPICPDMDIX-GFCCVEGCSA-N 1 3 192.306 1.556 10 0 ADAEHO CN[C@H](C)CC[NH+]1CCCCCC1 43812124 168048313 /nfs/dbraw/zinc/04/83/13/168048313.db2.gz OGHBCLQZSIHKIT-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCCCCC1 43812124 168048315 /nfs/dbraw/zinc/04/83/15/168048315.db2.gz OGHBCLQZSIHKIT-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)CC(C)(C)C 45072934 168048376 /nfs/dbraw/zinc/04/83/76/168048376.db2.gz GJXNYQXFDFCOFE-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)CC(C)(C)C 45072934 168048380 /nfs/dbraw/zinc/04/83/80/168048380.db2.gz GJXNYQXFDFCOFE-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)CC(C)(C)C 45072934 168048382 /nfs/dbraw/zinc/04/83/82/168048382.db2.gz GJXNYQXFDFCOFE-SNVBAGLBSA-N 1 3 186.343 1.962 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)CC(C)C 43886687 168048494 /nfs/dbraw/zinc/04/84/94/168048494.db2.gz OCYSPAXCIRNLFE-SNVBAGLBSA-N 1 3 172.316 1.572 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)CC(C)C 43886687 168048495 /nfs/dbraw/zinc/04/84/95/168048495.db2.gz OCYSPAXCIRNLFE-SNVBAGLBSA-N 1 3 172.316 1.572 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)CC(C)C 43886687 168048496 /nfs/dbraw/zinc/04/84/96/168048496.db2.gz OCYSPAXCIRNLFE-SNVBAGLBSA-N 1 3 172.316 1.572 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)CCC(C)C 43914683 168048515 /nfs/dbraw/zinc/04/85/15/168048515.db2.gz ILECYMSPMISQHD-LLVKDONJSA-N 1 3 186.343 1.962 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCC[C@@H]1C 43902814 168048538 /nfs/dbraw/zinc/04/85/38/168048538.db2.gz DDLTVFIWTSBLRB-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCC[C@@H]1C 43902814 168048540 /nfs/dbraw/zinc/04/85/40/168048540.db2.gz DDLTVFIWTSBLRB-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCC[C@@H]1C 43902814 168048541 /nfs/dbraw/zinc/04/85/41/168048541.db2.gz DDLTVFIWTSBLRB-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCCCC1 43814107 168048558 /nfs/dbraw/zinc/04/85/58/168048558.db2.gz NJRAELVDMAEYIB-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CN[C@H](C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 43804815 168048628 /nfs/dbraw/zinc/04/86/28/168048628.db2.gz MOWNECWZGCVPEB-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43804809 168048914 /nfs/dbraw/zinc/04/89/14/168048914.db2.gz MOWNECWZGCVPEB-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 43804809 168048916 /nfs/dbraw/zinc/04/89/16/168048916.db2.gz MOWNECWZGCVPEB-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C(C)C 43813253 168049036 /nfs/dbraw/zinc/04/90/36/168049036.db2.gz NCGFGCYPNJDFCL-SECBINFHSA-N 1 3 158.289 1.325 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)C1CCCC1 43883804 168049217 /nfs/dbraw/zinc/04/92/17/168049217.db2.gz IBIXJPRXZYUDDW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)C1CCCC1 43883804 168049218 /nfs/dbraw/zinc/04/92/18/168049218.db2.gz IBIXJPRXZYUDDW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)C1CCCC1 43883804 168049219 /nfs/dbraw/zinc/04/92/19/168049219.db2.gz IBIXJPRXZYUDDW-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCC(C)CC1 39185217 168049240 /nfs/dbraw/zinc/04/92/40/168049240.db2.gz KWIZZPFXUJYEQM-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)[C@@H](C)C(C)C 43895442 168049263 /nfs/dbraw/zinc/04/92/63/168049263.db2.gz FJTRWUWLEIVONE-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)[C@@H](C)C(C)C 43895442 168049265 /nfs/dbraw/zinc/04/92/65/168049265.db2.gz FJTRWUWLEIVONE-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCC[C@@H](C)C1 43811777 168049465 /nfs/dbraw/zinc/04/94/65/168049465.db2.gz CXKFEACAFYHLJL-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCC[C@@H](C)C1 43811777 168049467 /nfs/dbraw/zinc/04/94/67/168049467.db2.gz CXKFEACAFYHLJL-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCC[C@@H](C)C1 43811777 168049469 /nfs/dbraw/zinc/04/94/69/168049469.db2.gz CXKFEACAFYHLJL-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@H](C)CC[N@H+](C)[C@@H](C)C1CC1 43894824 168049654 /nfs/dbraw/zinc/04/96/54/168049654.db2.gz XMBCKWCQOVZGAG-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 43894824 168049655 /nfs/dbraw/zinc/04/96/55/168049655.db2.gz XMBCKWCQOVZGAG-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C)CCN(C)[C@@H](C)C1CC1 43894824 168049658 /nfs/dbraw/zinc/04/96/58/168049658.db2.gz XMBCKWCQOVZGAG-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H](C)CNC1(C)CCCCC1 54077192 168050030 /nfs/dbraw/zinc/05/00/30/168050030.db2.gz VSUSNULKCFYECR-SNVBAGLBSA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+][C@H](C)CNC1CCCCCC1 54077088 168050504 /nfs/dbraw/zinc/05/05/04/168050504.db2.gz FWWMQVXCLUTXDH-SNVBAGLBSA-N 1 3 184.327 1.907 10 0 ADAEHO C[NH2+][C@H](C)CNC1CCCC1 53493295 168050512 /nfs/dbraw/zinc/05/05/12/168050512.db2.gz WQVJDHBBUAIRCW-MRVPVSSYSA-N 1 3 156.273 1.127 10 0 ADAEHO C[NH2+][C@H](C)CNC1CCCCC1 53493308 168050639 /nfs/dbraw/zinc/05/06/39/168050639.db2.gz LWXHUXDVCNWZOS-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CCC[C@@H]1C 44472146 168050725 /nfs/dbraw/zinc/05/07/25/168050725.db2.gz XRTAFEYOOSHLEG-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@H](C)C[N@H+]1CCC[C@@H]1C 44472146 168050727 /nfs/dbraw/zinc/05/07/27/168050727.db2.gz XRTAFEYOOSHLEG-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CCC[C@H]1C 44472143 168051044 /nfs/dbraw/zinc/05/10/44/168051044.db2.gz XRTAFEYOOSHLEG-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@H](C)C[N@H+]1CCC[C@H]1C 44472143 168051046 /nfs/dbraw/zinc/05/10/46/168051046.db2.gz XRTAFEYOOSHLEG-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 43902886 168051134 /nfs/dbraw/zinc/05/11/34/168051134.db2.gz VVOXAVMIVMVOEM-AEJSXWLSSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 43902886 168051137 /nfs/dbraw/zinc/05/11/37/168051137.db2.gz VVOXAVMIVMVOEM-AEJSXWLSSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 43811795 168051156 /nfs/dbraw/zinc/05/11/56/168051156.db2.gz QIFBGBSNUJCURS-MXWKQRLJSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C)C1 43811795 168051159 /nfs/dbraw/zinc/05/11/59/168051159.db2.gz QIFBGBSNUJCURS-MXWKQRLJSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCCC[C@@H]1CN(C)C1CC1 60744091 168055172 /nfs/dbraw/zinc/05/51/72/168055172.db2.gz NYRHVYBRIBDJBF-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCCC[C@@H]1CN1CCCC1 60720679 168055232 /nfs/dbraw/zinc/05/52/32/168055232.db2.gz GQXZUAAVIRQQLY-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@H]1CCCCC[C@H]1CN(C)C 53864657 168055585 /nfs/dbraw/zinc/05/55/85/168055585.db2.gz BHRAUIJGRWDMJL-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+][C@H]1CCCCC[C@@H]1CN(C)C 53864653 168056282 /nfs/dbraw/zinc/05/62/82/168056282.db2.gz BHRAUIJGRWDMJL-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+][C@H]1CCCC[C@@H]1CN(C)C 26443022 168056372 /nfs/dbraw/zinc/05/63/72/168056372.db2.gz SCFHAZLKFCAJFJ-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CCC2)[C@@H](C)C1 52210802 168056490 /nfs/dbraw/zinc/05/64/90/168056490.db2.gz AKXRWLILJXEUKD-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCC2)[C@@H](C)C1 52210802 168056492 /nfs/dbraw/zinc/05/64/92/168056492.db2.gz AKXRWLILJXEUKD-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCC2)[C@@H](C)C1 52210802 168056494 /nfs/dbraw/zinc/05/64/94/168056494.db2.gz AKXRWLILJXEUKD-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)C)C[C@H]1C 49694185 168056514 /nfs/dbraw/zinc/05/65/14/168056514.db2.gz OJSLQPHTVXWJSQ-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CC2)C[C@H]1C 49694099 168056523 /nfs/dbraw/zinc/05/65/23/168056523.db2.gz ZNFKBWMUNPRYOY-KOLCDFICSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)(C)C)C[C@H]1C 49713167 168056553 /nfs/dbraw/zinc/05/65/53/168056553.db2.gz BNCHTGOHWPNMDO-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@H+](CC(C)(C)C)C[C@H]1C 49713167 168056555 /nfs/dbraw/zinc/05/65/55/168056555.db2.gz BNCHTGOHWPNMDO-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC(C)(C)C)C[C@H]1C 49713167 168056557 /nfs/dbraw/zinc/05/65/57/168056557.db2.gz BNCHTGOHWPNMDO-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CCC2)C[C@@H]1C 49710557 168056569 /nfs/dbraw/zinc/05/65/69/168056569.db2.gz UOPYDJYSQJFTQP-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1C 49710557 168056572 /nfs/dbraw/zinc/05/65/72/168056572.db2.gz UOPYDJYSQJFTQP-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C 49710557 168056573 /nfs/dbraw/zinc/05/65/73/168056573.db2.gz UOPYDJYSQJFTQP-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CCCC2)C[C@@H]1C 49709042 168056609 /nfs/dbraw/zinc/05/66/09/168056609.db2.gz GSDTVSSCUCXNJO-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C 49709042 168056610 /nfs/dbraw/zinc/05/66/10/168056610.db2.gz GSDTVSSCUCXNJO-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCCC2)C[C@@H]1C 49709042 168056612 /nfs/dbraw/zinc/05/66/12/168056612.db2.gz GSDTVSSCUCXNJO-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)C)[C@@H](C)C1 49694200 168056619 /nfs/dbraw/zinc/05/66/19/168056619.db2.gz YFXBKYAMOZCAAD-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)C)[C@@H](C)C1 49694200 168056621 /nfs/dbraw/zinc/05/66/21/168056621.db2.gz YFXBKYAMOZCAAD-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)C)[C@@H](C)C1 49694200 168056623 /nfs/dbraw/zinc/05/66/23/168056623.db2.gz YFXBKYAMOZCAAD-UWVGGRQHSA-N 1 3 170.300 1.467 10 0 ADAEHO C[NH2+][C@H]1CCN(CCC(C)C)C[C@@H]1C 49707372 168056713 /nfs/dbraw/zinc/05/67/13/168056713.db2.gz LNUDAJQUXAYHLM-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCC(C)CC2)C1 37242069 168056763 /nfs/dbraw/zinc/05/67/63/168056763.db2.gz WCLQVGPMQFYFKA-CXQJBGSLSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCC(C)CC2)C1 37242069 168056764 /nfs/dbraw/zinc/05/67/64/168056764.db2.gz WCLQVGPMQFYFKA-CXQJBGSLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)(C)C)C[C@H]1C 49694121 168056779 /nfs/dbraw/zinc/05/67/79/168056779.db2.gz BTEMHVQTZPXBGD-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)(C)C)C[C@H]1C 49694121 168056781 /nfs/dbraw/zinc/05/67/81/168056781.db2.gz BTEMHVQTZPXBGD-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)(C)C)C[C@H]1C 49694121 168056782 /nfs/dbraw/zinc/05/67/82/168056782.db2.gz BTEMHVQTZPXBGD-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)C)[C@H](C)C1 49709029 168056807 /nfs/dbraw/zinc/05/68/07/168056807.db2.gz AHKWQBOWFXXLCG-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 49709029 168056809 /nfs/dbraw/zinc/05/68/09/168056809.db2.gz AHKWQBOWFXXLCG-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 49709029 168056810 /nfs/dbraw/zinc/05/68/10/168056810.db2.gz AHKWQBOWFXXLCG-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)C)[C@@H](C)C1 49709030 168056855 /nfs/dbraw/zinc/05/68/55/168056855.db2.gz AHKWQBOWFXXLCG-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 49709030 168056857 /nfs/dbraw/zinc/05/68/57/168056857.db2.gz AHKWQBOWFXXLCG-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 49709030 168056859 /nfs/dbraw/zinc/05/68/59/168056859.db2.gz AHKWQBOWFXXLCG-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H]1CN(C)C1CC1 53865483 168056885 /nfs/dbraw/zinc/05/68/85/168056885.db2.gz WNXFOVPKAPRXGX-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)C)[C@H](C)C1 49694199 168056948 /nfs/dbraw/zinc/05/69/48/168056948.db2.gz YFXBKYAMOZCAAD-ZJUUUORDSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694199 168056950 /nfs/dbraw/zinc/05/69/50/168056950.db2.gz YFXBKYAMOZCAAD-ZJUUUORDSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694199 168056951 /nfs/dbraw/zinc/05/69/51/168056951.db2.gz YFXBKYAMOZCAAD-ZJUUUORDSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)(C)C)[C@H](C)C1 49694136 168056958 /nfs/dbraw/zinc/05/69/58/168056958.db2.gz DVHBDKFSZQAHCJ-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)(C)C)[C@H](C)C1 49694136 168056959 /nfs/dbraw/zinc/05/69/59/168056959.db2.gz DVHBDKFSZQAHCJ-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)(C)C)[C@H](C)C1 49694136 168056962 /nfs/dbraw/zinc/05/69/62/168056962.db2.gz DVHBDKFSZQAHCJ-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H]1CN1CCCCC1 53862516 168057078 /nfs/dbraw/zinc/05/70/78/168057078.db2.gz HEDDMOWHMRGBMN-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CCC2)C[C@H]1C 49710556 168057088 /nfs/dbraw/zinc/05/70/88/168057088.db2.gz UOPYDJYSQJFTQP-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2CCC2)C[C@H]1C 49710556 168057089 /nfs/dbraw/zinc/05/70/89/168057089.db2.gz UOPYDJYSQJFTQP-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1C 49710556 168057091 /nfs/dbraw/zinc/05/70/91/168057091.db2.gz UOPYDJYSQJFTQP-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)(C)C)[C@@H](C)C1 49694137 168057102 /nfs/dbraw/zinc/05/71/02/168057102.db2.gz DVHBDKFSZQAHCJ-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)(C)C)[C@@H](C)C1 49694137 168057103 /nfs/dbraw/zinc/05/71/03/168057103.db2.gz DVHBDKFSZQAHCJ-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)(C)C)[C@@H](C)C1 49694137 168057104 /nfs/dbraw/zinc/05/71/04/168057104.db2.gz DVHBDKFSZQAHCJ-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CCC2)C[C@@H]1C 52210765 168057183 /nfs/dbraw/zinc/05/71/83/168057183.db2.gz GWZIFFNRFXBTSB-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CCC2)[C@H](C)C1 49710586 168057211 /nfs/dbraw/zinc/05/72/11/168057211.db2.gz MZIGRXPDMYBGRI-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2CCC2)[C@H](C)C1 49710586 168057212 /nfs/dbraw/zinc/05/72/12/168057212.db2.gz MZIGRXPDMYBGRI-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 49710586 168057214 /nfs/dbraw/zinc/05/72/14/168057214.db2.gz MZIGRXPDMYBGRI-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CCC2)C[C@H]1C 52210762 168057292 /nfs/dbraw/zinc/05/72/92/168057292.db2.gz GWZIFFNRFXBTSB-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H]1CN1CCCC1 53861117 168057404 /nfs/dbraw/zinc/05/74/04/168057404.db2.gz PFMUJHORWREEDF-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@H]1CCC[C@H]1C[NH+]1CCCC1 53861117 168057406 /nfs/dbraw/zinc/05/74/06/168057406.db2.gz PFMUJHORWREEDF-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+][C@H]1CCCC[C@H]1CN1CCCC1 60720681 168057515 /nfs/dbraw/zinc/05/75/15/168057515.db2.gz GQXZUAAVIRQQLY-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCCC2)C1 37241667 168057538 /nfs/dbraw/zinc/05/75/38/168057538.db2.gz SHAULALTEOZQIV-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCCC2)C1 37241667 168057540 /nfs/dbraw/zinc/05/75/40/168057540.db2.gz SHAULALTEOZQIV-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCCCC2)C1 37241741 168057553 /nfs/dbraw/zinc/05/75/53/168057553.db2.gz LTCHMKYDMGFEKH-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCCCC2)C1 37241741 168057555 /nfs/dbraw/zinc/05/75/55/168057555.db2.gz LTCHMKYDMGFEKH-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[NH2+][C@H]1CCCC[C@H]1CN(C)C1CC1 60744096 168057562 /nfs/dbraw/zinc/05/75/62/168057562.db2.gz NYRHVYBRIBDJBF-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CC2)C[C@@H]1C 49694100 168057575 /nfs/dbraw/zinc/05/75/75/168057575.db2.gz ZNFKBWMUNPRYOY-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CCC2)[C@@H](C)C1 49710589 168057598 /nfs/dbraw/zinc/05/75/98/168057598.db2.gz MZIGRXPDMYBGRI-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2CCC2)[C@@H](C)C1 49710589 168057600 /nfs/dbraw/zinc/05/76/00/168057600.db2.gz MZIGRXPDMYBGRI-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 49710589 168057601 /nfs/dbraw/zinc/05/76/01/168057601.db2.gz MZIGRXPDMYBGRI-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)(C)C)C[C@@H]1C 49694123 168057629 /nfs/dbraw/zinc/05/76/29/168057629.db2.gz BTEMHVQTZPXBGD-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C 49694123 168057632 /nfs/dbraw/zinc/05/76/32/168057632.db2.gz BTEMHVQTZPXBGD-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C 49694123 168057634 /nfs/dbraw/zinc/05/76/34/168057634.db2.gz BTEMHVQTZPXBGD-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H]1CN(C)C(C)C 53862400 168057890 /nfs/dbraw/zinc/05/78/90/168057890.db2.gz NJGHFXMYNFLNEC-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CCC2)[C@H](C)C1 52210800 168057919 /nfs/dbraw/zinc/05/79/19/168057919.db2.gz AKXRWLILJXEUKD-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCC2)[C@H](C)C1 52210800 168057921 /nfs/dbraw/zinc/05/79/21/168057921.db2.gz AKXRWLILJXEUKD-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCC2)[C@H](C)C1 52210800 168057923 /nfs/dbraw/zinc/05/79/23/168057923.db2.gz AKXRWLILJXEUKD-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CCCC2)C[C@H]1C 49709041 168057970 /nfs/dbraw/zinc/05/79/70/168057970.db2.gz GSDTVSSCUCXNJO-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2CCCC2)C[C@H]1C 49709041 168057972 /nfs/dbraw/zinc/05/79/72/168057972.db2.gz GSDTVSSCUCXNJO-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](C2CCCC2)C[C@H]1C 49709041 168057973 /nfs/dbraw/zinc/05/79/73/168057973.db2.gz GSDTVSSCUCXNJO-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H]1CN1CCCC1 53861115 168057989 /nfs/dbraw/zinc/05/79/89/168057989.db2.gz PFMUJHORWREEDF-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@H]1CCC[C@@H]1C[NH+]1CCCC1 53861115 168057990 /nfs/dbraw/zinc/05/79/90/168057990.db2.gz PFMUJHORWREEDF-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)(C)C)C[C@@H]1C 49713168 168058034 /nfs/dbraw/zinc/05/80/34/168058034.db2.gz BNCHTGOHWPNMDO-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@H+](CC(C)(C)C)C[C@@H]1C 49713168 168058036 /nfs/dbraw/zinc/05/80/36/168058036.db2.gz BNCHTGOHWPNMDO-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1C 49713168 168058037 /nfs/dbraw/zinc/05/80/37/168058037.db2.gz BNCHTGOHWPNMDO-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)C)C[C@H]1C 49709006 168058053 /nfs/dbraw/zinc/05/80/53/168058053.db2.gz JZXRKTDYCWWMAX-MNOVXSKESA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H]1CN(C)C(C)C 53862401 168058065 /nfs/dbraw/zinc/05/80/65/168058065.db2.gz NJGHFXMYNFLNEC-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CC2)[C@@H](C)C1 49694114 168058162 /nfs/dbraw/zinc/05/81/62/168058162.db2.gz ZZBWRLMFVSJOEK-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2CC2)[C@@H](C)C1 49694114 168058164 /nfs/dbraw/zinc/05/81/64/168058164.db2.gz ZZBWRLMFVSJOEK-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2CC2)[C@@H](C)C1 49694114 168058166 /nfs/dbraw/zinc/05/81/66/168058166.db2.gz ZZBWRLMFVSJOEK-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)C)C[C@@H]1C 49694186 168058176 /nfs/dbraw/zinc/05/81/76/168058176.db2.gz OJSLQPHTVXWJSQ-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO C[NH2+][C@H]1CCCC[C@H]1CN(C)C 26443026 168058208 /nfs/dbraw/zinc/05/82/08/168058208.db2.gz SCFHAZLKFCAJFJ-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2CC2)[C@H](C)C1 49694113 168058222 /nfs/dbraw/zinc/05/82/22/168058222.db2.gz ZZBWRLMFVSJOEK-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2CC2)[C@H](C)C1 49694113 168058223 /nfs/dbraw/zinc/05/82/23/168058223.db2.gz ZZBWRLMFVSJOEK-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2CC2)[C@H](C)C1 49694113 168058225 /nfs/dbraw/zinc/05/82/25/168058225.db2.gz ZZBWRLMFVSJOEK-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)(C)C)C1 37240236 168058261 /nfs/dbraw/zinc/05/82/61/168058261.db2.gz VEQXDPGAOLOVBC-QMMMGPOBSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)(C)C)C1 37240236 168058263 /nfs/dbraw/zinc/05/82/63/168058263.db2.gz VEQXDPGAOLOVBC-QMMMGPOBSA-N 1 3 156.273 1.079 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H]1CN(C)C1CC1 53865480 168058301 /nfs/dbraw/zinc/05/83/01/168058301.db2.gz WNXFOVPKAPRXGX-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@H]1CCC[C@H]1CN1CCCCC1 53862520 168058414 /nfs/dbraw/zinc/05/84/14/168058414.db2.gz HEDDMOWHMRGBMN-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@H]1CCN(CC(C)C)C[C@@H]1C 49709008 168058445 /nfs/dbraw/zinc/05/84/45/168058445.db2.gz JZXRKTDYCWWMAX-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1C 43902444 168058452 /nfs/dbraw/zinc/05/84/52/168058452.db2.gz VFDQXQRDMSSMGI-GARJFASQSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CCC[C@H]1[N@H+]1CCC[C@@H]1C 43902444 168058453 /nfs/dbraw/zinc/05/84/53/168058453.db2.gz VFDQXQRDMSSMGI-GARJFASQSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 35733651 168058752 /nfs/dbraw/zinc/05/87/52/168058752.db2.gz ZDIQGLFXAQNRKW-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 35733651 168058755 /nfs/dbraw/zinc/05/87/55/168058755.db2.gz ZDIQGLFXAQNRKW-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 37264976 168058809 /nfs/dbraw/zinc/05/88/09/168058809.db2.gz IMHKSAYNQNFTKO-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 37264976 168058810 /nfs/dbraw/zinc/05/88/10/168058810.db2.gz IMHKSAYNQNFTKO-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 35733650 168059309 /nfs/dbraw/zinc/05/93/09/168059309.db2.gz ZDIQGLFXAQNRKW-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 35733650 168059311 /nfs/dbraw/zinc/05/93/11/168059311.db2.gz ZDIQGLFXAQNRKW-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 45630725 168059340 /nfs/dbraw/zinc/05/93/40/168059340.db2.gz OKWYBLMZIQRTIJ-RYUDHWBXSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 45630725 168059341 /nfs/dbraw/zinc/05/93/41/168059341.db2.gz OKWYBLMZIQRTIJ-RYUDHWBXSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 37242342 168059361 /nfs/dbraw/zinc/05/93/61/168059361.db2.gz PAILYCLLTICZQH-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 37242342 168059364 /nfs/dbraw/zinc/05/93/64/168059364.db2.gz PAILYCLLTICZQH-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)C(C)C)C[C@@H]1C 49710295 168059440 /nfs/dbraw/zinc/05/94/40/168059440.db2.gz TWBJISYWKAXJSW-SRVKXCTJSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)C(C)C)C[C@@H]1C 49710295 168059442 /nfs/dbraw/zinc/05/94/42/168059442.db2.gz TWBJISYWKAXJSW-SRVKXCTJSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@H]1CCN([C@@H](C)C(C)C)C[C@@H]1C 49710295 168059443 /nfs/dbraw/zinc/05/94/43/168059443.db2.gz TWBJISYWKAXJSW-SRVKXCTJSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@H](C)C(C)C)C1 37242340 168059543 /nfs/dbraw/zinc/05/95/43/168059543.db2.gz PAILYCLLTICZQH-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@H](C)C(C)C)C1 37242340 168059546 /nfs/dbraw/zinc/05/95/46/168059546.db2.gz PAILYCLLTICZQH-ZJUUUORDSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711048 168060044 /nfs/dbraw/zinc/06/00/44/168060044.db2.gz KINLQKGXGZFMSL-NHCYSSNCSA-N 1 3 196.338 1.857 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711048 168060048 /nfs/dbraw/zinc/06/00/48/168060048.db2.gz KINLQKGXGZFMSL-NHCYSSNCSA-N 1 3 196.338 1.857 10 0 ADAEHO C[NH2+][C@H]1CCN([C@@H](C)C2CC2)[C@@H](C)C1 49711048 168060049 /nfs/dbraw/zinc/06/00/49/168060049.db2.gz KINLQKGXGZFMSL-NHCYSSNCSA-N 1 3 196.338 1.857 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 37264977 168060200 /nfs/dbraw/zinc/06/02/00/168060200.db2.gz IMHKSAYNQNFTKO-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 37264977 168060201 /nfs/dbraw/zinc/06/02/01/168060201.db2.gz IMHKSAYNQNFTKO-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@](C)(C[NH3+])CCc1ccccc1 50269928 168061942 /nfs/dbraw/zinc/06/19/42/168061942.db2.gz ZLNYXPICPDMDIX-LBPRGKRZSA-N 1 3 192.306 1.556 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1CN(C)C1CC1 53865481 168041633 /nfs/dbraw/zinc/04/16/33/168041633.db2.gz WNXFOVPKAPRXGX-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CCC2)[C@@H](C)C1 49710583 168041674 /nfs/dbraw/zinc/04/16/74/168041674.db2.gz MZIGRXPDMYBGRI-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2CCC2)[C@@H](C)C1 49710583 168041676 /nfs/dbraw/zinc/04/16/76/168041676.db2.gz MZIGRXPDMYBGRI-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 49710583 168041678 /nfs/dbraw/zinc/04/16/78/168041678.db2.gz MZIGRXPDMYBGRI-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@H]1CN(C)C 26443024 168041710 /nfs/dbraw/zinc/04/17/10/168041710.db2.gz SCFHAZLKFCAJFJ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H](C)C1 49694135 168041716 /nfs/dbraw/zinc/04/17/16/168041716.db2.gz DVHBDKFSZQAHCJ-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)(C)C)[C@@H](C)C1 49694135 168041718 /nfs/dbraw/zinc/04/17/18/168041718.db2.gz DVHBDKFSZQAHCJ-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H](C)C1 49694135 168041720 /nfs/dbraw/zinc/04/17/20/168041720.db2.gz DVHBDKFSZQAHCJ-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)[C@H](C)C1 49694197 168041762 /nfs/dbraw/zinc/04/17/62/168041762.db2.gz YFXBKYAMOZCAAD-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)C)[C@H](C)C1 49694197 168041765 /nfs/dbraw/zinc/04/17/65/168041765.db2.gz YFXBKYAMOZCAAD-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694197 168041766 /nfs/dbraw/zinc/04/17/66/168041766.db2.gz YFXBKYAMOZCAAD-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO COP1NCC(C)(C)C[NH2+]1 1445037 168203237 /nfs/dbraw/zinc/20/32/37/168203237.db2.gz BALPOFHVDQQPOV-UHFFFAOYSA-N 1 3 162.173 1.079 10 0 ADAEHO COc1ccc(CN(C)C)cc1C[NH3+] 16942184 168248810 /nfs/dbraw/zinc/24/88/10/168248810.db2.gz LVEPDRZBMFLWDO-UHFFFAOYSA-N 1 3 194.278 1.216 10 0 ADAEHO COc1cccc([C@@H](N)CC[NH3+])c1 39648665 168271764 /nfs/dbraw/zinc/27/17/64/168271764.db2.gz CPHZNJNVFLINEX-JTQLQIEISA-N 1 3 180.251 1.044 10 0 ADAEHO COc1cccc([C@H](N)CC[NH3+])c1 39648664 168272399 /nfs/dbraw/zinc/27/23/99/168272399.db2.gz CPHZNJNVFLINEX-SNVBAGLBSA-N 1 3 180.251 1.044 10 0 ADAEHO CSCCCN1CCC([NH3+])CC1 37472255 168299499 /nfs/dbraw/zinc/29/94/99/168299499.db2.gz VMHHEDLEPVMYOK-UHFFFAOYSA-N 1 3 188.340 1.163 10 0 ADAEHO CSCCC[N@@H+]1CC[C@H](CN)C1 50245484 168299942 /nfs/dbraw/zinc/29/99/42/168299942.db2.gz RDWRYHNOTCSHCP-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CSCCC[N@H+]1CC[C@H](CN)C1 50245484 168299944 /nfs/dbraw/zinc/29/99/44/168299944.db2.gz RDWRYHNOTCSHCP-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CSCCCN1CC[C@H](C[NH3+])C1 50245484 168299945 /nfs/dbraw/zinc/29/99/45/168299945.db2.gz RDWRYHNOTCSHCP-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CSCCC[N@@H+]1CCCNCC1 38087068 168300234 /nfs/dbraw/zinc/30/02/34/168300234.db2.gz YLPDWSMPPQFQHU-UHFFFAOYSA-N 1 3 188.340 1.035 10 0 ADAEHO CSCCC[N@H+]1CCCNCC1 38087068 168300237 /nfs/dbraw/zinc/30/02/37/168300237.db2.gz YLPDWSMPPQFQHU-UHFFFAOYSA-N 1 3 188.340 1.035 10 0 ADAEHO CSCCC[N@@H+]1CC[C@@H](CN)C1 50245485 168301425 /nfs/dbraw/zinc/30/14/25/168301425.db2.gz RDWRYHNOTCSHCP-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO CSCCC[N@H+]1CC[C@@H](CN)C1 50245485 168301427 /nfs/dbraw/zinc/30/14/27/168301427.db2.gz RDWRYHNOTCSHCP-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO CSCCCN1CC[C@@H](C[NH3+])C1 50245485 168301429 /nfs/dbraw/zinc/30/14/29/168301429.db2.gz RDWRYHNOTCSHCP-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 35733664 168330799 /nfs/dbraw/zinc/33/07/99/168330799.db2.gz WJKHUNRPBCNFTE-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CC[C@H](CN)C1 35733664 168330802 /nfs/dbraw/zinc/33/08/02/168330802.db2.gz WJKHUNRPBCNFTE-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H](C1CCC1)N1CCC[NH2+]CC1 76580737 168331533 /nfs/dbraw/zinc/33/15/33/168331533.db2.gz NIOPTJBMRBGZAV-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CCCN[C@H](C)CC1 49666152 168331599 /nfs/dbraw/zinc/33/15/99/168331599.db2.gz ZFNDOWYWIFKARX-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CCCN[C@H](C)CC1 49666152 168331602 /nfs/dbraw/zinc/33/16/02/168331602.db2.gz ZFNDOWYWIFKARX-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CCCNC[C@@H](C)C1 49666170 168331629 /nfs/dbraw/zinc/33/16/29/168331629.db2.gz ZUAWXJSJEXMIKR-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CCCNC[C@@H](C)C1 49666170 168331631 /nfs/dbraw/zinc/33/16/31/168331631.db2.gz ZUAWXJSJEXMIKR-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@H](CN)C1 44527633 168331731 /nfs/dbraw/zinc/33/17/31/168331731.db2.gz UFCNPZPYECNAHA-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@H](CN)C1 44527633 168331733 /nfs/dbraw/zinc/33/17/33/168331733.db2.gz UFCNPZPYECNAHA-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](C1CCCC1)[NH+]1CCC(N)CC1 54081981 168331859 /nfs/dbraw/zinc/33/18/59/168331859.db2.gz KGWUAWKXUCKYND-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C1CCCC1)[N@@H+]1CC[C@H](CN)C1 54082036 168331986 /nfs/dbraw/zinc/33/19/86/168331986.db2.gz XYULSIRPMVZEGW-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](C1CCCC1)[N@H+]1CC[C@H](CN)C1 54082036 168331988 /nfs/dbraw/zinc/33/19/88/168331988.db2.gz XYULSIRPMVZEGW-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](C1CC1)[NH+]1CCCNCCC1 49666177 168332071 /nfs/dbraw/zinc/33/20/71/168332071.db2.gz FOICOIYKMATKCV-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H](C1CC1)N(C)C[C@@H]1CC[NH2+]C1 51889501 168332228 /nfs/dbraw/zinc/33/22/28/168332228.db2.gz TYOMJONIJLHFGF-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749070 168332481 /nfs/dbraw/zinc/33/24/81/168332481.db2.gz PTCGYHQIMQCUOG-OTQBISOXSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749070 168332483 /nfs/dbraw/zinc/33/24/83/168332483.db2.gz PTCGYHQIMQCUOG-OTQBISOXSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@@H](C1CC1)N1CC[NH2+]C[C@@H](C)C1 49661993 168332506 /nfs/dbraw/zinc/33/25/06/168332506.db2.gz KYMJCGLCVCZEHH-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H](C1CC1)N(C)CC[C@@H]1CCC[NH2+]1 42172087 168332556 /nfs/dbraw/zinc/33/25/56/168332556.db2.gz JBIZGKWVSCJLQY-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N1CCCCC1 48249857 168332937 /nfs/dbraw/zinc/33/29/37/168332937.db2.gz VOZTUYXDZHDDJA-QMMMGPOBSA-N 1 3 169.272 1.187 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N(C)CC(C)(C)C 45074252 168334329 /nfs/dbraw/zinc/33/43/29/168334329.db2.gz UKIZQJIAFDPHLO-QMMMGPOBSA-N 1 3 185.315 1.679 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCC[C@H]1C 36092210 168336607 /nfs/dbraw/zinc/33/66/07/168336607.db2.gz ZGOHJPWYHMZLNS-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCC[C@H]1C 36092210 168336609 /nfs/dbraw/zinc/33/66/09/168336609.db2.gz ZGOHJPWYHMZLNS-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)C1CCCCC1 41042498 168336923 /nfs/dbraw/zinc/33/69/23/168336923.db2.gz BLUFPJDRLVIYLM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)C1CCCCC1 41042498 168336926 /nfs/dbraw/zinc/33/69/26/168336926.db2.gz BLUFPJDRLVIYLM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCC[C@@H]1C 32006586 168337004 /nfs/dbraw/zinc/33/70/04/168337004.db2.gz ZGOHJPWYHMZLNS-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCC[C@@H]1C 32006586 168337006 /nfs/dbraw/zinc/33/70/06/168337006.db2.gz ZGOHJPWYHMZLNS-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CC[NH3+])CNCc1ccco1 49805786 168337173 /nfs/dbraw/zinc/33/71/73/168337173.db2.gz DUNPSMFUERQJAA-VIFPVBQESA-N 1 3 182.267 1.354 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)C(C)(C)C 49804679 168337223 /nfs/dbraw/zinc/33/72/23/168337223.db2.gz AEJQIDPVQVAPFG-QMMMGPOBSA-N 1 3 158.289 1.454 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)C(C)(C)C 49804679 168337225 /nfs/dbraw/zinc/33/72/25/168337225.db2.gz AEJQIDPVQVAPFG-QMMMGPOBSA-N 1 3 158.289 1.454 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H]1C 37910144 168337323 /nfs/dbraw/zinc/33/73/23/168337323.db2.gz GJYYZAWPWGJETN-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H]1C 37910144 168337326 /nfs/dbraw/zinc/33/73/26/168337326.db2.gz GJYYZAWPWGJETN-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H](C)C1 32006590 168337541 /nfs/dbraw/zinc/33/75/41/168337541.db2.gz TZKXBNIAYJIQLO-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H](C)C1 32006590 168337544 /nfs/dbraw/zinc/33/75/44/168337544.db2.gz TZKXBNIAYJIQLO-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CCN(C)C)N1CCCC1=[NH2+] 49558009 168337583 /nfs/dbraw/zinc/33/75/83/168337583.db2.gz RZBKDHSZARXLAQ-VIFPVBQESA-N 1 3 183.299 1.400 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC[C@H]1C 37910143 168337687 /nfs/dbraw/zinc/33/76/87/168337687.db2.gz GJYYZAWPWGJETN-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC[C@H]1C 37910143 168337689 /nfs/dbraw/zinc/33/76/89/168337689.db2.gz GJYYZAWPWGJETN-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](CC[NH3+])CNCc1ccccn1 49807275 168337758 /nfs/dbraw/zinc/33/77/58/168337758.db2.gz VYKYHXOSWPTELY-JTQLQIEISA-N 1 3 193.294 1.156 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)C1CCCC1 41042539 168337805 /nfs/dbraw/zinc/33/78/05/168337805.db2.gz UTTOIKXSJIJACU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)C1CCCC1 41042539 168337808 /nfs/dbraw/zinc/33/78/08/168337808.db2.gz UTTOIKXSJIJACU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)CC(C)(C)C 45068372 168337910 /nfs/dbraw/zinc/33/79/10/168337910.db2.gz JDKHWKXINOIWQT-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)CC(C)(C)C 45068372 168337912 /nfs/dbraw/zinc/33/79/12/168337912.db2.gz JDKHWKXINOIWQT-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)CC(C)(C)C 45068372 168337915 /nfs/dbraw/zinc/33/79/15/168337915.db2.gz JDKHWKXINOIWQT-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](CCN(C)C)N1CCCCC1=[NH2+] 49584377 168338018 /nfs/dbraw/zinc/33/80/18/168338018.db2.gz VVOOZNGJNRVOTC-JTQLQIEISA-N 1 3 197.326 1.790 10 0 ADAEHO C[C@@H](CCN)[NH+]1CCC(C)(C)CC1 61818751 168338152 /nfs/dbraw/zinc/33/81/52/168338152.db2.gz QHUNIMAVCFLRQF-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CC[NH+](C)C)Nc1ccncc1 49558713 168338162 /nfs/dbraw/zinc/33/81/62/168338162.db2.gz SLYYXZSOQCIKRJ-JTQLQIEISA-N 1 3 193.294 1.834 10 0 ADAEHO C[C@@H](CCN)[NH+]1CCCCCCC1 41042523 168338173 /nfs/dbraw/zinc/33/81/73/168338173.db2.gz WWTBTRGDVFUXGO-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@@H](CC[NH3+])N1CCCSCC1 48895986 168338185 /nfs/dbraw/zinc/33/81/85/168338185.db2.gz PVURNHUWZGOXKS-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCSCC1 48895986 168338187 /nfs/dbraw/zinc/33/81/87/168338187.db2.gz PVURNHUWZGOXKS-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCSCC1 48895986 168338188 /nfs/dbraw/zinc/33/81/88/168338188.db2.gz PVURNHUWZGOXKS-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@@H](CC[NH3+])N(C)[C@@H]1CCSC1 48247977 168338370 /nfs/dbraw/zinc/33/83/70/168338370.db2.gz GZZIAANHTGIVGE-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](CCN)[N@H+](C)[C@@H]1CCSC1 48247977 168338372 /nfs/dbraw/zinc/33/83/72/168338372.db2.gz GZZIAANHTGIVGE-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](CCN)[N@@H+](C)[C@@H]1CCSC1 48247977 168338374 /nfs/dbraw/zinc/33/83/74/168338374.db2.gz GZZIAANHTGIVGE-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](CCc1ccco1)[NH2+]CCCN 37713608 168339170 /nfs/dbraw/zinc/33/91/70/168339170.db2.gz NCMZFXFNGWHCAW-JTQLQIEISA-N 1 3 196.294 1.539 10 0 ADAEHO C[C@@H](CCc1ccco1)NCCC[NH3+] 37713608 168339172 /nfs/dbraw/zinc/33/91/72/168339172.db2.gz NCMZFXFNGWHCAW-JTQLQIEISA-N 1 3 196.294 1.539 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CC[C@@H](C)C1 40717086 168339604 /nfs/dbraw/zinc/33/96/04/168339604.db2.gz BDQKSRSASCQQOZ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CC[C@@H](C)C1 40717086 168339606 /nfs/dbraw/zinc/33/96/06/168339606.db2.gz BDQKSRSASCQQOZ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CCNCC[NH3+])c1ccccc1 44427750 168339705 /nfs/dbraw/zinc/33/97/05/168339705.db2.gz UJTADGQHLQRVGD-NSHDSACASA-N 1 3 192.306 1.729 10 0 ADAEHO C[C@@H](CCN)[NH+]1C[C@H](C)C[C@@H](C)C1 41042506 168339818 /nfs/dbraw/zinc/33/98/18/168339818.db2.gz YPVNGPBTHJGPFY-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN(C)CCC(C)(C)C)C(N)=[NH2+] 42459828 168340845 /nfs/dbraw/zinc/34/08/45/168340845.db2.gz MJSCBKWDIUMINY-VIFPVBQESA-N 1 3 199.342 1.926 10 0 ADAEHO C[C@@H](CN(C)CC(C)(C)C)C(N)=[NH2+] 45074249 168340867 /nfs/dbraw/zinc/34/08/67/168340867.db2.gz DUMLOEOSRGYLGU-QMMMGPOBSA-N 1 3 185.315 1.536 10 0 ADAEHO C[C@@H](CN(C)C)[C@@H]([NH3+])c1ccccc1 26510261 168340903 /nfs/dbraw/zinc/34/09/03/168340903.db2.gz YSAZLRHMUWIYBU-CMPLNLGQSA-N 1 3 192.306 1.884 10 0 ADAEHO C[C@@H](CN(C)C)[C@H]([NH3+])c1ccccc1 26510267 168341278 /nfs/dbraw/zinc/34/12/78/168341278.db2.gz YSAZLRHMUWIYBU-JQWIXIFHSA-N 1 3 192.306 1.884 10 0 ADAEHO C[C@@H](CN(C)c1ccncc1)C(N)=[NH2+] 42459903 168341976 /nfs/dbraw/zinc/34/19/76/168341976.db2.gz RUXWJTDFLQMZRP-QMMMGPOBSA-N 1 3 192.266 1.090 10 0 ADAEHO C[C@@H](CN(C)[C@@H](C)C(C)(C)C)C(N)=[NH2+] 42767676 168342032 /nfs/dbraw/zinc/34/20/32/168342032.db2.gz JPNXJGZPWOOSTI-IUCAKERBSA-N 1 3 199.342 1.925 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CC(C)(C)C 45068625 168342374 /nfs/dbraw/zinc/34/23/74/168342374.db2.gz WOMNQXGBOGGGEA-VIFPVBQESA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CC(C)(C)C 45068625 168342376 /nfs/dbraw/zinc/34/23/76/168342376.db2.gz WOMNQXGBOGGGEA-VIFPVBQESA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)CC(C)(C)C 45068625 168342378 /nfs/dbraw/zinc/34/23/78/168342378.db2.gz WOMNQXGBOGGGEA-VIFPVBQESA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCCC[C@@H]1C 11822414 168342590 /nfs/dbraw/zinc/34/25/90/168342590.db2.gz PGXBSYYCBMTSLT-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCCC[C@@H]1C 11822414 168342591 /nfs/dbraw/zinc/34/25/91/168342591.db2.gz PGXBSYYCBMTSLT-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)C(C)(C)C 49804677 168342613 /nfs/dbraw/zinc/34/26/13/168342613.db2.gz BCAHJFNFULTSBX-QMMMGPOBSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)C(C)(C)C 49804677 168342616 /nfs/dbraw/zinc/34/26/16/168342616.db2.gz BCAHJFNFULTSBX-QMMMGPOBSA-N 1 3 158.289 1.312 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCSC1 35725197 168342790 /nfs/dbraw/zinc/34/27/90/168342790.db2.gz MQULXIRVRUZTMB-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCSC1 35725197 168342792 /nfs/dbraw/zinc/34/27/92/168342792.db2.gz MQULXIRVRUZTMB-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCSC1 35725197 168342795 /nfs/dbraw/zinc/34/27/95/168342795.db2.gz MQULXIRVRUZTMB-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@@H](C)C(C)(C)C 42739358 168342845 /nfs/dbraw/zinc/34/28/45/168342845.db2.gz XRFIRSMJSVOCMM-UWVGGRQHSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)C(C)(C)C 42739358 168342847 /nfs/dbraw/zinc/34/28/47/168342847.db2.gz XRFIRSMJSVOCMM-UWVGGRQHSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H](CN)C[NH+]1CCC(C)(C)CC1 61818787 168343017 /nfs/dbraw/zinc/34/30/17/168343017.db2.gz MHKYSZOVACBMRR-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[NH+]1CCCCCCC1 36677587 168343074 /nfs/dbraw/zinc/34/30/74/168343074.db2.gz JYMPETCLDRYLJV-NSHDSACASA-N 1 3 184.327 1.847 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)C1CCCC1 37083958 168343146 /nfs/dbraw/zinc/34/31/46/168343146.db2.gz PVSCXCHJSYEEJR-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)C1CCCC1 37083958 168343147 /nfs/dbraw/zinc/34/31/47/168343147.db2.gz PVSCXCHJSYEEJR-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 11804659 168343260 /nfs/dbraw/zinc/34/32/60/168343260.db2.gz WUONXZWGQPLSIB-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@@H](CN)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 11804659 168343262 /nfs/dbraw/zinc/34/32/62/168343262.db2.gz WUONXZWGQPLSIB-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CCC(C)(C)C 42456074 168343273 /nfs/dbraw/zinc/34/32/73/168343273.db2.gz NLZDEKOIDIGOQP-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CCC(C)(C)C 42456074 168343276 /nfs/dbraw/zinc/34/32/76/168343276.db2.gz NLZDEKOIDIGOQP-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)CCC(C)(C)C 42456074 168343277 /nfs/dbraw/zinc/34/32/77/168343277.db2.gz NLZDEKOIDIGOQP-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CC1CCCC1 42456070 168343328 /nfs/dbraw/zinc/34/33/28/168343328.db2.gz CNQVOCSYGWCVHI-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CC1CCCC1 42456070 168343330 /nfs/dbraw/zinc/34/33/30/168343330.db2.gz CNQVOCSYGWCVHI-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[NH2+]C1(C)CCCCC1 54346014 168343365 /nfs/dbraw/zinc/34/33/65/168343365.db2.gz VPKWOJUKSKDGNP-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC[C@H](C)C1 36211059 168343430 /nfs/dbraw/zinc/34/34/30/168343430.db2.gz LJPRTOVKQFULBS-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC[C@H](C)C1 36211059 168343432 /nfs/dbraw/zinc/34/34/32/168343432.db2.gz LJPRTOVKQFULBS-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](C[NH3+])CCNCc1ccco1 49805785 168343522 /nfs/dbraw/zinc/34/35/22/168343522.db2.gz GCUICPSHRPJNPX-SECBINFHSA-N 1 3 182.267 1.354 10 0 ADAEHO C[C@@H](C[NH3+])CCNCc1ccccn1 49807270 168343631 /nfs/dbraw/zinc/34/36/31/168343631.db2.gz PGXCGHHFKSMZEF-SNVBAGLBSA-N 1 3 193.294 1.156 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H](C)C1 11822419 168343727 /nfs/dbraw/zinc/34/37/27/168343727.db2.gz LJPRTOVKQFULBS-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H](C)C1 11822419 168343728 /nfs/dbraw/zinc/34/37/28/168343728.db2.gz LJPRTOVKQFULBS-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](C[NH3+])CN1CCCSCC1 42443329 168343761 /nfs/dbraw/zinc/34/37/61/168343761.db2.gz FSVSGIKJKVKZND-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCCSCC1 42443329 168343762 /nfs/dbraw/zinc/34/37/62/168343762.db2.gz FSVSGIKJKVKZND-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCCSCC1 42443329 168343763 /nfs/dbraw/zinc/34/37/63/168343763.db2.gz FSVSGIKJKVKZND-VIFPVBQESA-N 1 3 188.340 1.020 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCCC[C@H]1C 36211057 168343839 /nfs/dbraw/zinc/34/38/39/168343839.db2.gz PGXBSYYCBMTSLT-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCCC[C@H]1C 36211057 168343841 /nfs/dbraw/zinc/34/38/41/168343841.db2.gz PGXBSYYCBMTSLT-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1[C@@H](C)CCC[C@H]1C 36677494 168344020 /nfs/dbraw/zinc/34/40/20/168344020.db2.gz RQTOQUIJAVNPJT-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)C[N@H+]1[C@@H](C)CCC[C@H]1C 36677494 168344022 /nfs/dbraw/zinc/34/40/22/168344022.db2.gz RQTOQUIJAVNPJT-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)c1ccncc1 42455602 168344202 /nfs/dbraw/zinc/34/42/02/168344202.db2.gz OBLCQSNBMPCBRQ-VIFPVBQESA-N 1 3 179.267 1.113 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)Cc1ccccc1 57402529 168344393 /nfs/dbraw/zinc/34/43/93/168344393.db2.gz BNCCJZLUVUSXKB-NSHDSACASA-N 1 3 192.306 1.713 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)C1CCCCC1 11822390 168344399 /nfs/dbraw/zinc/34/43/99/168344399.db2.gz OEDMCXIEMZOSHH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)C1CCCCC1 11822390 168344402 /nfs/dbraw/zinc/34/44/02/168344402.db2.gz OEDMCXIEMZOSHH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](C[NH3+])c1ccc(CN(C)C)cc1 41664045 168345850 /nfs/dbraw/zinc/34/58/50/168345850.db2.gz HAOIOIMJZPGLBY-JTQLQIEISA-N 1 3 192.306 1.810 10 0 ADAEHO C[C@@H](CN1CCCCC1)C(N)=[NH2+] 36678354 168346459 /nfs/dbraw/zinc/34/64/59/168346459.db2.gz GLSQEMUYLASULE-QMMMGPOBSA-N 1 3 169.272 1.044 10 0 ADAEHO C[C@@H](CNc1ccncc1)[NH+](C)C 38089184 168349505 /nfs/dbraw/zinc/34/95/05/168349505.db2.gz AGPRBFRMUGVRMZ-VIFPVBQESA-N 1 3 179.267 1.444 10 0 ADAEHO C[C@@H](Cc1ccco1)NCCC[NH3+] 42593933 168354093 /nfs/dbraw/zinc/35/40/93/168354093.db2.gz RHVVQHWWWXSPAO-VIFPVBQESA-N 1 3 182.267 1.149 10 0 ADAEHO C[C@@H](Cc1ccco1)NCC[C@@H](C)[NH3+] 42594122 168354124 /nfs/dbraw/zinc/35/41/24/168354124.db2.gz HFUIEEIRODUIAS-ZJUUUORDSA-N 1 3 196.294 1.538 10 0 ADAEHO C[C@@H](Cc1ccccc1)[NH2+]CCCN 62172592 168354796 /nfs/dbraw/zinc/35/47/96/168354796.db2.gz NRRFWAJFWHFQGN-NSHDSACASA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@@H](Cc1ccccc1)NCCC[NH3+] 62172592 168354798 /nfs/dbraw/zinc/35/47/98/168354798.db2.gz NRRFWAJFWHFQGN-NSHDSACASA-N 1 3 192.306 1.556 10 0 ADAEHO C[C@@H](N(C)CCC(N)=[NH2+])C(C)(C)C 42767667 168356164 /nfs/dbraw/zinc/35/61/64/168356164.db2.gz USXCNLJGPYORHS-MRVPVSSYSA-N 1 3 185.315 1.679 10 0 ADAEHO C[C@@H]([NH3+])CC(C)(C)N(C)C 39257693 168361035 /nfs/dbraw/zinc/36/10/35/168361035.db2.gz LGECWILINPRWCC-SSDOTTSWSA-N 1 3 144.262 1.064 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)C1CCCCC1 35221556 168361518 /nfs/dbraw/zinc/36/15/18/168361518.db2.gz IDYZVBJSNOOFTB-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)C1CCCCC1 35221556 168361519 /nfs/dbraw/zinc/36/15/19/168361519.db2.gz IDYZVBJSNOOFTB-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC(C)(C)C 40494990 168361608 /nfs/dbraw/zinc/36/16/08/168361608.db2.gz NQSQBFTXWQCSLL-MRVPVSSYSA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@H]1CC1(C)C 45137944 168361767 /nfs/dbraw/zinc/36/17/67/168361767.db2.gz BWBQQDCCWVBAJI-SFYZADRCSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H]1CC1(C)C 45137944 168361769 /nfs/dbraw/zinc/36/17/69/168361769.db2.gz BWBQQDCCWVBAJI-SFYZADRCSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H](N)CC[NH2+]C1CCCC1 40408962 168361956 /nfs/dbraw/zinc/36/19/56/168361956.db2.gz LTPRYHYUSGRKRI-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@@H](N)CC[NH+]1CCCCCCC1 20429224 168362102 /nfs/dbraw/zinc/36/21/02/168362102.db2.gz WAVOREREGJOAPB-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@@H]([NH3+])CCNCc1ccccc1 40409798 168362206 /nfs/dbraw/zinc/36/22/06/168362206.db2.gz UZOAKCPNZVTEIW-SNVBAGLBSA-N 1 3 178.279 1.514 10 0 ADAEHO C[C@@H](N)CC[NH2+]C1CCCCC1 40397773 168362398 /nfs/dbraw/zinc/36/23/98/168362398.db2.gz ZTJPWZKGFSTXOO-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H](N)CC[NH2+]C(C)(C)C 40398160 168362400 /nfs/dbraw/zinc/36/24/00/168362400.db2.gz PQZYPYWGLYMQJF-SSDOTTSWSA-N 1 3 144.262 1.112 10 0 ADAEHO C[C@@H]([NH3+])CCNCCc1ccco1 42594403 168362434 /nfs/dbraw/zinc/36/24/34/168362434.db2.gz WCAMAFOZWSFPPW-SECBINFHSA-N 1 3 182.267 1.149 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCCSCC1 42444954 168362656 /nfs/dbraw/zinc/36/26/56/168362656.db2.gz OQUUYLWSIRGYSV-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CC(C)(C)C 45072264 168362677 /nfs/dbraw/zinc/36/26/77/168362677.db2.gz IMFZRKZEGLOXPX-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)CC(C)(C)C 45072264 168362678 /nfs/dbraw/zinc/36/26/78/168362678.db2.gz IMFZRKZEGLOXPX-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)CC(C)(C)C 45072264 168362680 /nfs/dbraw/zinc/36/26/80/168362680.db2.gz IMFZRKZEGLOXPX-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)[C@@H]1CCSC1 37476754 168362739 /nfs/dbraw/zinc/36/27/39/168362739.db2.gz FMWRVFXMYMMSQT-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)C1CCCC1 37084325 168362760 /nfs/dbraw/zinc/36/27/60/168362760.db2.gz FZNZSSYIUXMMIY-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)C1CCCC1 37084325 168362762 /nfs/dbraw/zinc/36/27/62/168362762.db2.gz FZNZSSYIUXMMIY-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)C1CCCC1 37084325 168362764 /nfs/dbraw/zinc/36/27/64/168362764.db2.gz FZNZSSYIUXMMIY-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)CC[NH+]1CCC(C)(C)CC1 61819432 168362908 /nfs/dbraw/zinc/36/29/08/168362908.db2.gz FBPUOOIKMPHZJU-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCC(C)(C)CC1 61819432 168362909 /nfs/dbraw/zinc/36/29/09/168362909.db2.gz FBPUOOIKMPHZJU-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@@H+]1CCCC[C@H]1C 36906936 168363016 /nfs/dbraw/zinc/36/30/16/168363016.db2.gz FKJUBXOAFFYPRZ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)CC[N@H+]1CCCC[C@H]1C 36906936 168363020 /nfs/dbraw/zinc/36/30/20/168363020.db2.gz FKJUBXOAFFYPRZ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCCC[C@H]1C 36906936 168363021 /nfs/dbraw/zinc/36/30/21/168363021.db2.gz FKJUBXOAFFYPRZ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@H](C)Cc1ccco1 42594128 168363096 /nfs/dbraw/zinc/36/30/96/168363096.db2.gz HFUIEEIRODUIAS-NXEZZACHSA-N 1 3 196.294 1.538 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@@H]1CC1(C)C 45137939 168363129 /nfs/dbraw/zinc/36/31/29/168363129.db2.gz BWBQQDCCWVBAJI-HTQZYQBOSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H]1CC1(C)C 45137939 168363131 /nfs/dbraw/zinc/36/31/31/168363131.db2.gz BWBQQDCCWVBAJI-HTQZYQBOSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H](N)CC[NH2+]C(C1CC1)C1CC1 49237964 168363275 /nfs/dbraw/zinc/36/32/75/168363275.db2.gz KORMJSXCLOHHJV-MRVPVSSYSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H](N)C[NH2+]Cc1cccs1 40397576 168364162 /nfs/dbraw/zinc/36/41/62/168364162.db2.gz MZQBOEIRRSYUNU-SSDOTTSWSA-N 1 3 170.281 1.185 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@H+](CC2(C)CCC2)C1 307152823 168368563 /nfs/dbraw/zinc/36/85/63/168368563.db2.gz ZDJGFLBWUIHYHP-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@@H+](CC2(C)CCC2)C1 307152823 168368566 /nfs/dbraw/zinc/36/85/66/168368566.db2.gz ZDJGFLBWUIHYHP-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@H+](CC2(C)CCC2)C1 307152822 168368885 /nfs/dbraw/zinc/36/88/85/168368885.db2.gz ZDJGFLBWUIHYHP-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 307152822 168368887 /nfs/dbraw/zinc/36/88/87/168368887.db2.gz ZDJGFLBWUIHYHP-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]([NH3+])c1ccc(CN(C)C)cc1 58019896 168369581 /nfs/dbraw/zinc/36/95/81/168369581.db2.gz PFXFWYKBVKMVLY-SECBINFHSA-N 1 3 178.279 1.768 10 0 ADAEHO C[C@@H]([NH3+])c1nccn1-c1ccncc1 75845167 168375366 /nfs/dbraw/zinc/37/53/66/168375366.db2.gz LWWXRXLVRMVDJA-MRVPVSSYSA-N 1 3 188.234 1.287 10 0 ADAEHO C[C@@H]([NH2+]C1CCNCC1)[C@H]1CC1(C)C 306594447 168378279 /nfs/dbraw/zinc/37/82/79/168378279.db2.gz XKAGWRJMPGIRTQ-MWLCHTKSSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+]C1CCNCC1)C1CC1 38040852 168379107 /nfs/dbraw/zinc/37/91/07/168379107.db2.gz QPLGCOQEAQDTQA-MRVPVSSYSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]([NH2+]C1CCNCC1)[C@@H]1CC1(C)C 306594445 168379176 /nfs/dbraw/zinc/37/91/76/168379176.db2.gz XKAGWRJMPGIRTQ-KOLCDFICSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](NCCC[NH3+])c1cccs1 37713204 168382121 /nfs/dbraw/zinc/38/21/21/168382121.db2.gz YSBHFRBVGUBIJQ-MRVPVSSYSA-N 1 3 184.308 1.748 10 0 ADAEHO C[C@@H]([NH2+]CCCN)C1CCCC1 54080485 168382216 /nfs/dbraw/zinc/38/22/16/168382216.db2.gz PXCURMVSCFQZMT-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H](NCCC[NH3+])c1ccc(F)cc1 37713215 168382417 /nfs/dbraw/zinc/38/24/17/168382417.db2.gz BUGYODBGHJDHJC-SECBINFHSA-N 1 3 196.269 1.825 10 0 ADAEHO C[C@@H](N[C@@H]1CC12CCCC2)C1C[NH2+]C1 335006277 168382983 /nfs/dbraw/zinc/38/29/83/168382983.db2.gz CCKFQQFAIREIRU-MWLCHTKSSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CC12CCCC2)C1CNC1 335006277 168382984 /nfs/dbraw/zinc/38/29/84/168382984.db2.gz CCKFQQFAIREIRU-MWLCHTKSSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CC1 335060271 168383418 /nfs/dbraw/zinc/38/34/18/168383418.db2.gz DJIRUIZRBVXMCP-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CCC1 335269945 168383747 /nfs/dbraw/zinc/38/37/47/168383747.db2.gz LOHYSVCWQJLEEK-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H](N[C@H]1CCCC[NH2+]C1)C1CCC1 335269944 168385005 /nfs/dbraw/zinc/38/50/05/168385005.db2.gz LOHYSVCWQJLEEK-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H](N[C@H]1CCCC[NH2+]C1)C1CC1 335060270 168385077 /nfs/dbraw/zinc/38/50/77/168385077.db2.gz DJIRUIZRBVXMCP-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H](N[C@H]1CC12CCCC2)C1C[NH2+]C1 335006272 168385331 /nfs/dbraw/zinc/38/53/31/168385331.db2.gz CCKFQQFAIREIRU-KOLCDFICSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CC12CCCC2)C1CNC1 335006272 168385332 /nfs/dbraw/zinc/38/53/32/168385332.db2.gz CCKFQQFAIREIRU-KOLCDFICSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCN(C2CC2)CC[C@@H](C)[NH2+]1 49664833 168429268 /nfs/dbraw/zinc/42/92/68/168429268.db2.gz SCAYYRVUVSQKPM-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H](CCN(C)C)N1CCCCC1=[NH2+] 49584378 168524407 /nfs/dbraw/zinc/52/44/07/168524407.db2.gz VVOOZNGJNRVOTC-SNVBAGLBSA-N 1 3 197.326 1.790 10 0 ADAEHO C[C@H](CN(C)c1ccncc1)C(N)=[NH2+] 42459905 168527869 /nfs/dbraw/zinc/52/78/69/168527869.db2.gz RUXWJTDFLQMZRP-MRVPVSSYSA-N 1 3 192.266 1.090 10 0 ADAEHO C[C@H](Cc1ccco1)NCCC[NH3+] 42593935 168538936 /nfs/dbraw/zinc/53/89/36/168538936.db2.gz RHVVQHWWWXSPAO-SECBINFHSA-N 1 3 182.267 1.149 10 0 ADAEHO C[C@H](N)C[NH2+]Cc1cccs1 40397574 168548541 /nfs/dbraw/zinc/54/85/41/168548541.db2.gz MZQBOEIRRSYUNU-ZETCQYMHSA-N 1 3 170.281 1.185 10 0 ADAEHO C[C@H](N[C@H]1CCCC[NH2+]C1)C1CCC1 335269943 168570885 /nfs/dbraw/zinc/57/08/85/168570885.db2.gz LOHYSVCWQJLEEK-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CCN(CC[C@@H]2CCC[NH2+]2)C1 42172363 168617506 /nfs/dbraw/zinc/61/75/06/168617506.db2.gz LKKISQBZTZUBJS-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC2CNC2)C1 335551114 168648535 /nfs/dbraw/zinc/64/85/35/168648535.db2.gz ARAOAWSXHOQHNZ-IAZYJMLFSA-N 1 3 196.338 1.620 10 0 ADAEHO Cc1cc(F)ccc1CNCCC[NH3+] 50576570 168762708 /nfs/dbraw/zinc/76/27/08/168762708.db2.gz RNNNEPJSDRXBJD-UHFFFAOYSA-N 1 3 196.269 1.573 10 0 ADAEHO Cc1ccc([C@@H](C)NCCC[NH3+])cc1 37713164 168834888 /nfs/dbraw/zinc/83/48/88/168834888.db2.gz KFRMTWNCUQWDSW-LLVKDONJSA-N 1 3 192.306 1.994 10 0 ADAEHO Cc1oc(CN(C)C(C)C)cc1C[NH3+] 52419569 169009171 /nfs/dbraw/zinc/00/91/71/169009171.db2.gz ORTYKECFOKRCIL-UHFFFAOYSA-N 1 3 196.294 1.887 10 0 ADAEHO Cc1oc(CN2CCCC2)cc1C[NH3+] 52377402 169010128 /nfs/dbraw/zinc/01/01/28/169010128.db2.gz ABLVNDWXIRZLNH-UHFFFAOYSA-N 1 3 194.278 1.643 10 0 ADAEHO Cc1occc1CN(C)CCCC[NH3+] 42449220 169011481 /nfs/dbraw/zinc/01/14/81/169011481.db2.gz MQHJXUFWBNORAU-UHFFFAOYSA-N 1 3 196.294 1.759 10 0 ADAEHO Cn1ccnc1NC1CCC([NH3+])CC1 51693679 169052150 /nfs/dbraw/zinc/05/21/50/169052150.db2.gz OAQLPUDVVXTDSE-UHFFFAOYSA-N 1 3 194.282 1.102 10 0 ADAEHO Cn1ccnc1N[C@H]1CCCC[C@@H]1[NH3+] 50606827 169053606 /nfs/dbraw/zinc/05/36/06/169053606.db2.gz IETVSJZEDYVBGL-IUCAKERBSA-N 1 3 194.282 1.102 10 0 ADAEHO Cn1ccnc1N[C@H]1CCCC[C@H]1[NH3+] 50606833 169053913 /nfs/dbraw/zinc/05/39/13/169053913.db2.gz IETVSJZEDYVBGL-BDAKNGLRSA-N 1 3 194.282 1.102 10 0 ADAEHO Cn1ccnc1N[C@@H]1CCCC[C@H]1[NH3+] 50606830 169054541 /nfs/dbraw/zinc/05/45/41/169054541.db2.gz IETVSJZEDYVBGL-RKDXNWHRSA-N 1 3 194.282 1.102 10 0 ADAEHO Cn1ccnc1N[C@@H]1CCCC[C@@H]1[NH3+] 50606825 169054574 /nfs/dbraw/zinc/05/45/74/169054574.db2.gz IETVSJZEDYVBGL-DTWKUNHWSA-N 1 3 194.282 1.102 10 0 ADAEHO NC[C@H]1CCC[C@@H]1[NH+]1CCCCC1 37157522 169216533 /nfs/dbraw/zinc/21/65/33/169216533.db2.gz QAAAENOFEXNQEL-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+]C[C@H]1CCN(CCc2ccco2)C1 42590368 169216545 /nfs/dbraw/zinc/21/65/45/169216545.db2.gz LTMIWKBCYDCEEP-SNVBAGLBSA-N 1 3 194.278 1.103 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H]2CCCCN2C1 39438948 169216564 /nfs/dbraw/zinc/21/65/64/169216564.db2.gz YWPNNMXVGPOGSU-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@H]1CCC[C@H]1[NH+]1CCCC1 37156903 169216567 /nfs/dbraw/zinc/21/65/67/169216567.db2.gz IFNKMASEQYBDOM-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@H]1CCC[C@H]1[NH+]1CCCCC1 37157520 169216576 /nfs/dbraw/zinc/21/65/76/169216576.db2.gz QAAAENOFEXNQEL-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@H]1CCC[C@@H]1[NH+]1CCCCCC1 37157353 169216624 /nfs/dbraw/zinc/21/66/24/169216624.db2.gz RWUMBHZHUVZNSV-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 49235722 169216648 /nfs/dbraw/zinc/21/66/48/169216648.db2.gz YJHJAPCIRSUABO-SECBINFHSA-N 1 3 194.322 1.456 10 0 ADAEHO NC[C@H]1CC[N@H+](C(C2CC2)C2CC2)C1 49235722 169216649 /nfs/dbraw/zinc/21/66/49/169216649.db2.gz YJHJAPCIRSUABO-SECBINFHSA-N 1 3 194.322 1.456 10 0 ADAEHO [NH2+]=C1CCCN1CCN1CCCCC1 49575229 169144098 /nfs/dbraw/zinc/14/40/98/169144098.db2.gz HXIYVYZWDLQCHL-UHFFFAOYSA-N 1 3 195.310 1.545 10 0 ADAEHO [NH2+]=C1CCCN1[C@@H]1CN2CCC1CC2 20444219 169144710 /nfs/dbraw/zinc/14/47/10/169144710.db2.gz STMSAASSZCLBST-SNVBAGLBSA-N 1 3 193.294 1.154 10 0 ADAEHO [NH2+]=C1CCCN1[C@H]1CN2CCC1CC2 20444223 169144898 /nfs/dbraw/zinc/14/48/98/169144898.db2.gz STMSAASSZCLBST-JTQLQIEISA-N 1 3 193.294 1.154 10 0 ADAEHO [NH3+]C1CCC(NCc2ccco2)CC1 51692934 169172470 /nfs/dbraw/zinc/17/24/70/169172470.db2.gz QPPGBWKRFYBIJY-UHFFFAOYSA-N 1 3 194.278 1.639 10 0 ADAEHO [NH3+]C1CCC(Nc2ccncc2)CC1 51694077 169172663 /nfs/dbraw/zinc/17/26/63/169172663.db2.gz WXNVEOBPAYBUHL-UHFFFAOYSA-N 1 3 191.278 1.763 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CCCC1 20417469 169173954 /nfs/dbraw/zinc/17/39/54/169173954.db2.gz IHHCEPVWGCYULP-CLYYMRHHSA-N 1 3 194.322 1.883 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCCC1 20417469 169173956 /nfs/dbraw/zinc/17/39/56/169173956.db2.gz IHHCEPVWGCYULP-CLYYMRHHSA-N 1 3 194.322 1.883 10 0 ADAEHO [NH3+]CCC1CN(Cc2ccccc2)C1 82888874 169178484 /nfs/dbraw/zinc/17/84/84/169178484.db2.gz CLQYBLPTNWRVNO-UHFFFAOYSA-N 1 3 190.290 1.467 10 0 ADAEHO [NH3+]CCCCCCNCc1ccco1 40407552 169180533 /nfs/dbraw/zinc/18/05/33/169180533.db2.gz AVDHRQKQUJTWGT-UHFFFAOYSA-N 1 3 196.294 1.888 10 0 ADAEHO [NH3+]CCCN1CCC[C@H]2CCCC[C@@H]21 36826552 169182339 /nfs/dbraw/zinc/18/23/39/169182339.db2.gz HHZCFIZVEOXUAQ-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+]CCCN1CCC[C@@H]2CCCC[C@@H]21 36826548 169182529 /nfs/dbraw/zinc/18/25/29/169182529.db2.gz HHZCFIZVEOXUAQ-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO NCCC[N@H+](CC1CCCC1)C1CC1 48732564 169182769 /nfs/dbraw/zinc/18/27/69/169182769.db2.gz UPTPIBXSYKKDNB-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO NCCC[N@@H+](CC1CCCC1)C1CC1 48732564 169182770 /nfs/dbraw/zinc/18/27/70/169182770.db2.gz UPTPIBXSYKKDNB-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+]CCCN(CC1CCCC1)C1CC1 48732564 169182772 /nfs/dbraw/zinc/18/27/72/169182772.db2.gz UPTPIBXSYKKDNB-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+]CCCCN1Cc2ccccc2C1 50910513 169182794 /nfs/dbraw/zinc/18/27/94/169182794.db2.gz WRXRCHCRYZOLLB-UHFFFAOYSA-N 1 3 190.290 1.741 10 0 ADAEHO [NH3+]CCCN1CCC[C@H]2CCCC[C@H]21 36826550 169183048 /nfs/dbraw/zinc/18/30/48/169183048.db2.gz HHZCFIZVEOXUAQ-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+]CCCN1CCC[C@@H]2CCCC[C@H]21 36826547 169183059 /nfs/dbraw/zinc/18/30/59/169183059.db2.gz HHZCFIZVEOXUAQ-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+]CCCCNCc1ccco1 37714713 169183061 /nfs/dbraw/zinc/18/30/61/169183061.db2.gz WMEWCYYJJNSEDD-UHFFFAOYSA-N 1 3 168.240 1.108 10 0 ADAEHO [NH3+]CCCN[C@@H]1C[C@H]1c1ccccc1 44675805 169183168 /nfs/dbraw/zinc/18/31/68/169183168.db2.gz PQTROZRTUJHCTL-NWDGAFQWSA-N 1 3 190.290 1.481 10 0 ADAEHO NCCC[NH2+][C@@H]1C[C@H]1c1ccccc1 44675805 169183170 /nfs/dbraw/zinc/18/31/70/169183170.db2.gz PQTROZRTUJHCTL-NWDGAFQWSA-N 1 3 190.290 1.481 10 0 ADAEHO [NH3+]CCCN[C@H]1C[C@H]1c1ccccc1 44675803 169183379 /nfs/dbraw/zinc/18/33/79/169183379.db2.gz PQTROZRTUJHCTL-RYUDHWBXSA-N 1 3 190.290 1.481 10 0 ADAEHO NCCC[NH2+][C@H]1C[C@H]1c1ccccc1 44675803 169183380 /nfs/dbraw/zinc/18/33/80/169183380.db2.gz PQTROZRTUJHCTL-RYUDHWBXSA-N 1 3 190.290 1.481 10 0 ADAEHO NCCC[NH2+]C1Cc2ccccc2C1 37713622 169183442 /nfs/dbraw/zinc/18/34/42/169183442.db2.gz GTBYKVUZMZYWFI-UHFFFAOYSA-N 1 3 190.290 1.092 10 0 ADAEHO [NH3+]CCCNC1Cc2ccccc2C1 37713622 169183444 /nfs/dbraw/zinc/18/34/44/169183444.db2.gz GTBYKVUZMZYWFI-UHFFFAOYSA-N 1 3 190.290 1.092 10 0 ADAEHO NCCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 44376257 169183554 /nfs/dbraw/zinc/18/35/54/169183554.db2.gz NBUOEIMVUSRUBB-AEJSXWLSSA-N 1 3 168.284 1.113 10 0 ADAEHO NCCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 71790473 169183621 /nfs/dbraw/zinc/18/36/21/169183621.db2.gz QCUBQWNMMPXZFE-BKUVIOGVSA-N 1 3 192.306 1.089 10 0 ADAEHO NCCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 71790473 169183623 /nfs/dbraw/zinc/18/36/23/169183623.db2.gz QCUBQWNMMPXZFE-BKUVIOGVSA-N 1 3 192.306 1.089 10 0 ADAEHO NCCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 72236204 169184066 /nfs/dbraw/zinc/18/40/66/169184066.db2.gz QCUBQWNMMPXZFE-WRWGMCAJSA-N 1 3 192.306 1.089 10 0 ADAEHO NCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 72236204 169184067 /nfs/dbraw/zinc/18/40/67/169184067.db2.gz QCUBQWNMMPXZFE-WRWGMCAJSA-N 1 3 192.306 1.089 10 0 ADAEHO NCCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 71790474 169184239 /nfs/dbraw/zinc/18/42/39/169184239.db2.gz QCUBQWNMMPXZFE-IWDIQUIJSA-N 1 3 192.306 1.089 10 0 ADAEHO NCCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 71790474 169184240 /nfs/dbraw/zinc/18/42/40/169184240.db2.gz QCUBQWNMMPXZFE-IWDIQUIJSA-N 1 3 192.306 1.089 10 0 ADAEHO [NH3+]CCNCCCc1ccccc1 19732699 169191121 /nfs/dbraw/zinc/19/11/21/169191121.db2.gz UWQIWQFJCFEWND-UHFFFAOYSA-N 1 3 178.279 1.168 10 0 ADAEHO [NH3+]CCNCCc1cccc(Cl)c1 19732713 169191167 /nfs/dbraw/zinc/19/11/67/169191167.db2.gz UTWSUHNNQSNWAC-UHFFFAOYSA-N 1 3 198.697 1.431 10 0 ADAEHO N[C@H](CC[NH3+])c1ccc(F)cc1 39375625 169192688 /nfs/dbraw/zinc/19/26/88/169192688.db2.gz UTFMEQIDZIQDST-SECBINFHSA-N 1 3 168.215 1.174 10 0 ADAEHO [NH3+]CC[C@@H]1CCCN1c1ccncc1 82636683 169193032 /nfs/dbraw/zinc/19/30/32/169193032.db2.gz LUPZBHMOHPIZMF-JTQLQIEISA-N 1 3 191.278 1.399 10 0 ADAEHO NCC[C@@H]1CCCC[N@@H+]1C1CC1 82401789 169193416 /nfs/dbraw/zinc/19/34/16/169193416.db2.gz NKBKTGWXQAPCEJ-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO NCC[C@@H]1CCCC[N@H+]1C1CC1 82401789 169193417 /nfs/dbraw/zinc/19/34/17/169193417.db2.gz NKBKTGWXQAPCEJ-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO [NH3+]CC[C@@H]1CCCCN1C1CC1 82401789 169193418 /nfs/dbraw/zinc/19/34/18/169193418.db2.gz NKBKTGWXQAPCEJ-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO N[C@@H](CC[NH3+])c1ccc(F)cc1 39375626 169194429 /nfs/dbraw/zinc/19/44/29/169194429.db2.gz UTFMEQIDZIQDST-VIFPVBQESA-N 1 3 168.215 1.174 10 0 ADAEHO NCC[C@H]1CCCC[N@@H+]1C1CC1 82401790 169195107 /nfs/dbraw/zinc/19/51/07/169195107.db2.gz NKBKTGWXQAPCEJ-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO NCC[C@H]1CCCC[N@H+]1C1CC1 82401790 169195108 /nfs/dbraw/zinc/19/51/08/169195108.db2.gz NKBKTGWXQAPCEJ-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO [NH3+]CC[C@H]1CCCCN1C1CC1 82401790 169195110 /nfs/dbraw/zinc/19/51/10/169195110.db2.gz NKBKTGWXQAPCEJ-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO [NH3+]CC[C@H]1CCCN1c1ccncc1 82636682 169195728 /nfs/dbraw/zinc/19/57/28/169195728.db2.gz LUPZBHMOHPIZMF-SNVBAGLBSA-N 1 3 191.278 1.399 10 0 ADAEHO N[C@H](C[NH3+])CC1CCCCC1 87473522 169202313 /nfs/dbraw/zinc/20/23/13/169202313.db2.gz MDSKGSOOZVKZMD-VIFPVBQESA-N 1 3 156.273 1.243 10 0 ADAEHO N[C@H](C[NH3+])CCCCc1ccccc1 40939419 169202416 /nfs/dbraw/zinc/20/24/16/169202416.db2.gz XYKJRDDDFNUAKC-LBPRGKRZSA-N 1 3 192.306 1.685 10 0 ADAEHO N[C@H](C[NH3+])C1CCCCCCC1 44468980 169202799 /nfs/dbraw/zinc/20/27/99/169202799.db2.gz PAORRMKMKNKPSH-SNVBAGLBSA-N 1 3 170.300 1.633 10 0 ADAEHO NC[C@@H]1CCCCC[C@@H]1[NH+]1CCCC1 37156893 169206066 /nfs/dbraw/zinc/20/60/66/169206066.db2.gz VTGRRHHFVDZAHO-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CCCCC[C@H]1[NH+]1CCCC1 37156889 169206529 /nfs/dbraw/zinc/20/65/29/169206529.db2.gz VTGRRHHFVDZAHO-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 37157518 169206635 /nfs/dbraw/zinc/20/66/35/169206635.db2.gz KJUKWTVODAKJIV-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CC[N@@H+](C2CCCCCC2)C1 11891448 169207645 /nfs/dbraw/zinc/20/76/45/169207645.db2.gz XJLAQZRVBVLNFY-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CC[N@H+](C2CCCCCC2)C1 11891448 169207647 /nfs/dbraw/zinc/20/76/47/169207647.db2.gz XJLAQZRVBVLNFY-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCCCC1 37157524 169207844 /nfs/dbraw/zinc/20/78/44/169207844.db2.gz QAAAENOFEXNQEL-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCCC1 37156907 169207878 /nfs/dbraw/zinc/20/78/78/169207878.db2.gz IFNKMASEQYBDOM-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CCCCC1 37157526 169208004 /nfs/dbraw/zinc/20/80/04/169208004.db2.gz QAAAENOFEXNQEL-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CCCCCC1 37157357 169208150 /nfs/dbraw/zinc/20/81/50/169208150.db2.gz RWUMBHZHUVZNSV-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCCCCC1 37157355 169208350 /nfs/dbraw/zinc/20/83/50/169208350.db2.gz RWUMBHZHUVZNSV-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CCCC1 37156909 169208406 /nfs/dbraw/zinc/20/84/06/169208406.db2.gz IFNKMASEQYBDOM-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CCN(CCc2ccco2)C1 42590371 169208467 /nfs/dbraw/zinc/20/84/67/169208467.db2.gz LTMIWKBCYDCEEP-JTQLQIEISA-N 1 3 194.278 1.103 10 0 ADAEHO [NH3+]C[C@@H]1CCCN1c1ccncc1 53663302 169208602 /nfs/dbraw/zinc/20/86/02/169208602.db2.gz KVJVFYPDDMFUSS-JTQLQIEISA-N 1 3 177.251 1.009 10 0 ADAEHO NC[C@@H]1CCCC[C@H]1[NH+]1CCCCC1 37157516 169208660 /nfs/dbraw/zinc/20/86/60/169208660.db2.gz KJUKWTVODAKJIV-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 49235723 169208924 /nfs/dbraw/zinc/20/89/24/169208924.db2.gz YJHJAPCIRSUABO-VIFPVBQESA-N 1 3 194.322 1.456 10 0 ADAEHO NC[C@@H]1CC[N@H+](C(C2CC2)C2CC2)C1 49235723 169208926 /nfs/dbraw/zinc/20/89/26/169208926.db2.gz YJHJAPCIRSUABO-VIFPVBQESA-N 1 3 194.322 1.456 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]2CCCCN2C1 39438946 169209208 /nfs/dbraw/zinc/20/92/08/169209208.db2.gz YWPNNMXVGPOGSU-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO N[C@@H](C[NH3+])CC1CCCCC1 87473523 169211115 /nfs/dbraw/zinc/21/11/15/169211115.db2.gz MDSKGSOOZVKZMD-SECBINFHSA-N 1 3 156.273 1.243 10 0 ADAEHO N[C@@H](C[NH3+])C1CCCCCCC1 44468983 169211544 /nfs/dbraw/zinc/21/15/44/169211544.db2.gz PAORRMKMKNKPSH-JTQLQIEISA-N 1 3 170.300 1.633 10 0 ADAEHO N[C@@H](C[NH3+])CC1Cc2ccccc2C1 44138943 169211801 /nfs/dbraw/zinc/21/18/01/169211801.db2.gz BILHCHHGXWLLQT-GFCCVEGCSA-N 1 3 190.290 1.078 10 0 ADAEHO NC[C@H]1CCCCC[C@H]1[NH+]1CCCC1 37156887 169214640 /nfs/dbraw/zinc/21/46/40/169214640.db2.gz VTGRRHHFVDZAHO-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CCCC[C@@H]1[NH+]1CCCCC1 37157514 169215285 /nfs/dbraw/zinc/21/52/85/169215285.db2.gz KJUKWTVODAKJIV-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CCCCC[C@@H]1[NH+]1CCCC1 37156891 169215313 /nfs/dbraw/zinc/21/53/13/169215313.db2.gz VTGRRHHFVDZAHO-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CCCC[C@H]1[NH+]1CCCCC1 37157512 169215533 /nfs/dbraw/zinc/21/55/33/169215533.db2.gz KJUKWTVODAKJIV-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CC[N@@H+](C2CCCCCC2)C1 11891454 169215744 /nfs/dbraw/zinc/21/57/44/169215744.db2.gz XJLAQZRVBVLNFY-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CC[N@H+](C2CCCCCC2)C1 11891454 169215746 /nfs/dbraw/zinc/21/57/46/169215746.db2.gz XJLAQZRVBVLNFY-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CCC[C@H]1[NH+]1CCCCCC1 37157351 169215806 /nfs/dbraw/zinc/21/58/06/169215806.db2.gz RWUMBHZHUVZNSV-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO NC[C@H]1CCC[C@@H]1[NH+]1CCCC1 37156905 169215902 /nfs/dbraw/zinc/21/59/02/169215902.db2.gz IFNKMASEQYBDOM-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@H]1CCCN1c1ccncc1 53663299 169216298 /nfs/dbraw/zinc/21/62/98/169216298.db2.gz KVJVFYPDDMFUSS-SNVBAGLBSA-N 1 3 177.251 1.009 10 0 ADAEHO [NH3+]Cc1cc(CN2CCCC2)cs1 16943213 169219255 /nfs/dbraw/zinc/21/92/55/169219255.db2.gz FBXNCJJWECWLPG-UHFFFAOYSA-N 1 3 196.319 1.803 10 0 ADAEHO NCc1ccc(C[NH+]2CCCC2)s1 16942888 169221584 /nfs/dbraw/zinc/22/15/84/169221584.db2.gz KRORZJLFNSDDCC-UHFFFAOYSA-N 1 3 196.319 1.803 10 0 ADAEHO NCc1ccc(C[NH3+])cc1OC1CC1 95737746 169221946 /nfs/dbraw/zinc/22/19/46/169221946.db2.gz PGIUKWRIUOGKSU-UHFFFAOYSA-N 1 3 192.262 1.145 10 0 ADAEHO NCc1ccc([C@@H]2CCC[NH2+]2)cc1F 72201666 169223172 /nfs/dbraw/zinc/22/31/72/169223172.db2.gz FTNQUAYADNOXNZ-NSHDSACASA-N 1 3 194.253 1.709 10 0 ADAEHO NCc1cc(C[NH3+])ccc1OC1CC1 95737998 169223268 /nfs/dbraw/zinc/22/32/68/169223268.db2.gz XXIRWYWEMYFJOF-UHFFFAOYSA-N 1 3 192.262 1.145 10 0 ADAEHO NCc1ccc([C@H]2CCC[NH2+]2)cc1F 72201667 169223611 /nfs/dbraw/zinc/22/36/11/169223611.db2.gz FTNQUAYADNOXNZ-LLVKDONJSA-N 1 3 194.253 1.709 10 0 ADAEHO NCc1cccc(C[NH3+])c1OC1CC1 95737761 169224742 /nfs/dbraw/zinc/22/47/42/169224742.db2.gz BNHBITUKYBVHBH-UHFFFAOYSA-N 1 3 192.262 1.145 10 0 ADAEHO NCc1c(C[NH3+])cccc1OC1CC1 95738079 169224773 /nfs/dbraw/zinc/22/47/73/169224773.db2.gz SFEBEXPBIGFGNL-UHFFFAOYSA-N 1 3 192.262 1.145 10 0 ADAEHO [NH3+]Cc1ccoc1CN1CCCCC1 52421213 169225382 /nfs/dbraw/zinc/22/53/82/169225382.db2.gz AMCVSVYGNSGYAY-UHFFFAOYSA-N 1 3 194.278 1.724 10 0 ADAEHO [NH3+]Cc1cccnc1CN1CCCC1 82636673 169225761 /nfs/dbraw/zinc/22/57/61/169225761.db2.gz RTVOADAQGMTCLJ-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO [NH3+]Cc1coc(CN2CCCCC2)c1 52421248 169227240 /nfs/dbraw/zinc/22/72/40/169227240.db2.gz OIQVONAHTSENPE-UHFFFAOYSA-N 1 3 194.278 1.724 10 0 ADAEHO [NH3+]Cc1coc(CN2CCCC2)c1 52377463 169227727 /nfs/dbraw/zinc/22/77/27/169227727.db2.gz XAAJCUVMDSIGNU-UHFFFAOYSA-N 1 3 180.251 1.334 10 0 ADAEHO NCc1csc([C@@H]2CCC[NH2+]C2)n1 83342843 169228528 /nfs/dbraw/zinc/22/85/28/169228528.db2.gz KNLPUVPVQICZFF-SSDOTTSWSA-N 1 3 197.307 1.069 10 0 ADAEHO NCc1csc([C@H]2CCC[NH2+]2)n1 83340873 169228604 /nfs/dbraw/zinc/22/86/04/169228604.db2.gz LEDGXMQTJCIUQH-SSDOTTSWSA-N 1 3 183.280 1.026 10 0 ADAEHO [NH3+]Cc1csc(CN2CCCC2)c1 16943140 169229397 /nfs/dbraw/zinc/22/93/97/169229397.db2.gz KTLPSMOZNVADQF-UHFFFAOYSA-N 1 3 196.319 1.803 10 0 ADAEHO NCc1csc([C@@H]2CCC[NH2+]2)n1 83350230 169229423 /nfs/dbraw/zinc/22/94/23/169229423.db2.gz LEDGXMQTJCIUQH-ZETCQYMHSA-N 1 3 183.280 1.026 10 0 ADAEHO NCc1csc(C2CC[NH2+]CC2)n1 83342845 169229508 /nfs/dbraw/zinc/22/95/08/169229508.db2.gz PFXYFYHMYKIATR-UHFFFAOYSA-N 1 3 197.307 1.069 10 0 ADAEHO NCc1ncccc1C[NH+]1CCCC1 61656407 169231812 /nfs/dbraw/zinc/23/18/12/169231812.db2.gz ZYGXHSIQJLBTCM-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1C[NH+]1CCCCC1 40537864 169251620 /nfs/dbraw/zinc/25/16/20/169251620.db2.gz ZNYLMAISMHQMPI-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@@H]1CN1CCCCC1 40537864 169251622 /nfs/dbraw/zinc/25/16/22/169251622.db2.gz ZNYLMAISMHQMPI-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@@H]1CCCC[C@H]1C[NH+]1CCCCC1 40537863 169251715 /nfs/dbraw/zinc/25/17/15/169251715.db2.gz ZNYLMAISMHQMPI-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@H]1CN1CCCCC1 40537863 169251717 /nfs/dbraw/zinc/25/17/17/169251717.db2.gz ZNYLMAISMHQMPI-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@H]1Nc1ccncc1 38050700 169252121 /nfs/dbraw/zinc/25/21/21/169252121.db2.gz WGHJPYSBLSDFEQ-GHMZBOCLSA-N 1 3 191.278 1.763 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccncc1 38050701 169252311 /nfs/dbraw/zinc/25/23/11/169252311.db2.gz WGHJPYSBLSDFEQ-MNOVXSKESA-N 1 3 191.278 1.763 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH+]2CCCCC2)C1 71499205 169252955 /nfs/dbraw/zinc/25/29/55/169252955.db2.gz VISNPXSZWFBEPR-GHMZBOCLSA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@@H]1CCC[C@@H]1C[NH+]1CCCCC1 53862513 169253117 /nfs/dbraw/zinc/25/31/17/169253117.db2.gz WLQHKFALSVIYMK-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[C@H]1C[NH+]1CCCCCC1 53862028 169253335 /nfs/dbraw/zinc/25/33/35/169253335.db2.gz PKQBRNJYEVRMKS-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@@H]1CCC[C@@H]1C[NH+]1CCCCCC1 53862029 169253345 /nfs/dbraw/zinc/25/33/45/169253345.db2.gz PKQBRNJYEVRMKS-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@@H]1CCC[C@H]1C[NH+]1CCCCC1 53862512 169253364 /nfs/dbraw/zinc/25/33/64/169253364.db2.gz WLQHKFALSVIYMK-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH+]2CCCCC2)C1 71499208 169253608 /nfs/dbraw/zinc/25/36/08/169253608.db2.gz VISNPXSZWFBEPR-MNOVXSKESA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@@H]1CC[C@H]([NH+]2CCCCCC2)C1 71499229 169255345 /nfs/dbraw/zinc/25/53/45/169255345.db2.gz OQMJTFCSARMJPS-MNOVXSKESA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH+]2CCCCCC2)C1 71499226 169256134 /nfs/dbraw/zinc/25/61/34/169256134.db2.gz OQMJTFCSARMJPS-GHMZBOCLSA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@@H]1C[C@@H]([NH3+])c2ccccc21 21874 169258275 /nfs/dbraw/zinc/25/82/75/169258275.db2.gz CLTXLGPSIXHRDP-RKDXNWHRSA-N 1 3 148.209 1.090 10 0 ADAEHO N[C@H]1CCCC[C@@H]1C[NH+]1CCCCC1 40537862 169271799 /nfs/dbraw/zinc/27/17/99/169271799.db2.gz ZNYLMAISMHQMPI-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@H]1CCCC[C@@H]1CN1CCCCC1 40537862 169271800 /nfs/dbraw/zinc/27/18/00/169271800.db2.gz ZNYLMAISMHQMPI-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@H]1CCCC[C@@H]1Nc1ccncc1 38050699 169271924 /nfs/dbraw/zinc/27/19/24/169271924.db2.gz WGHJPYSBLSDFEQ-QWRGUYRKSA-N 1 3 191.278 1.763 10 0 ADAEHO N[C@H]1CCCC[C@H]1C[NH+]1CCCCC1 40537861 169272181 /nfs/dbraw/zinc/27/21/81/169272181.db2.gz ZNYLMAISMHQMPI-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@H]1CCCC[C@H]1CN1CCCCC1 40537861 169272182 /nfs/dbraw/zinc/27/21/82/169272182.db2.gz ZNYLMAISMHQMPI-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@H]1CCCC[C@H]1Nc1ccncc1 38050698 169272833 /nfs/dbraw/zinc/27/28/33/169272833.db2.gz WGHJPYSBLSDFEQ-WDEREUQCSA-N 1 3 191.278 1.763 10 0 ADAEHO N[C@H]1CCC[C@@H]([NH+]2CCCCC2)C1 71499199 169273217 /nfs/dbraw/zinc/27/32/17/169273217.db2.gz VISNPXSZWFBEPR-WDEREUQCSA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@H]1CCC[C@H]1C[NH+]1CCCCC1 53862510 169273292 /nfs/dbraw/zinc/27/32/92/169273292.db2.gz WLQHKFALSVIYMK-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@H]1CCC[C@H]([NH+]2CCCCC2)C1 71499202 169273464 /nfs/dbraw/zinc/27/34/64/169273464.db2.gz VISNPXSZWFBEPR-QWRGUYRKSA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@H]1CCC[C@H]1C[NH+]1CCCCCC1 53862025 169273555 /nfs/dbraw/zinc/27/35/55/169273555.db2.gz PKQBRNJYEVRMKS-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@H]1CCC[C@@H]1C[NH+]1CCCCCC1 53862027 169273684 /nfs/dbraw/zinc/27/36/84/169273684.db2.gz PKQBRNJYEVRMKS-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO N[C@H]1CCC[C@@H]1C[NH+]1CCCCC1 53862511 169273966 /nfs/dbraw/zinc/27/39/66/169273966.db2.gz WLQHKFALSVIYMK-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+][C@H]1CCN(C[C@H]2CC=CCC2)C1 45630710 169274144 /nfs/dbraw/zinc/27/41/44/169274144.db2.gz BEVUZSWIVZXGQQ-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+][C@H]1CCN(C[C@@H]2CC=CCC2)C1 45630708 169275036 /nfs/dbraw/zinc/27/50/36/169275036.db2.gz BEVUZSWIVZXGQQ-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO N[C@H]1CC[C@@H]([NH+]2CCCCCC2)C1 71499221 169275589 /nfs/dbraw/zinc/27/55/89/169275589.db2.gz OQMJTFCSARMJPS-WDEREUQCSA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@H]1CC[C@H]([NH+]2CCCCCC2)C1 71499224 169275644 /nfs/dbraw/zinc/27/56/44/169275644.db2.gz OQMJTFCSARMJPS-QWRGUYRKSA-N 1 3 182.311 1.742 10 0 ADAEHO N[C@@H]1C[C@H]([NH3+])c2ccccc21 15746152 169277921 /nfs/dbraw/zinc/27/79/21/169277921.db2.gz CLTXLGPSIXHRDP-DTORHVGOSA-N 1 3 148.209 1.090 10 0 ADAEHO N[C@H]1C[C@@H]([NH3+])c2ccccc21 15746152 169277923 /nfs/dbraw/zinc/27/79/23/169277923.db2.gz CLTXLGPSIXHRDP-DTORHVGOSA-N 1 3 148.209 1.090 10 0 ADAEHO N[C@H]1C[C@H]([NH3+])c2ccccc21 3936614 169278330 /nfs/dbraw/zinc/27/83/30/169278330.db2.gz CLTXLGPSIXHRDP-IUCAKERBSA-N 1 3 148.209 1.090 10 0 ADAEHO Nc1ccncc1-c1c[nH+]ccc1N 75577190 169300618 /nfs/dbraw/zinc/30/06/18/169300618.db2.gz VXNDIAQHUNNPGW-UHFFFAOYSA-N 1 3 186.218 1.308 10 0 ADAEHO c1cc(NC[C@H]2CCC[NH2+]2)ccn1 53255087 169470802 /nfs/dbraw/zinc/47/08/02/169470802.db2.gz DAAQPQNKCGBREW-SNVBAGLBSA-N 1 3 177.251 1.246 10 0 ADAEHO N[C@@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 142838208 344015425 /nfs/dbraw/zinc/01/54/25/344015425.db2.gz XVNCEYGZCTXFSZ-JGPRNRPPSA-N 1 3 180.295 1.351 10 0 ADAEHO N[C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 142838208 344015427 /nfs/dbraw/zinc/01/54/27/344015427.db2.gz XVNCEYGZCTXFSZ-JGPRNRPPSA-N 1 3 180.295 1.351 10 0 ADAEHO CC[NH+](CC)[C@@H](C)CCN 19673542 171034944 /nfs/dbraw/zinc/03/49/44/171034944.db2.gz LQUVKICAKFTPMW-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CCN(CC)[C@@H](C)CC[NH3+] 19673542 171034946 /nfs/dbraw/zinc/03/49/46/171034946.db2.gz LQUVKICAKFTPMW-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO Cc1ccccc1[C@H](C)NCCC[NH3+] 37713292 171037158 /nfs/dbraw/zinc/03/71/58/171037158.db2.gz SBTIYKAWZDNJIV-NSHDSACASA-N 1 3 192.306 1.994 10 0 ADAEHO CC(C)(C)[C@@H]([NH3+])CN1CCCCC1 23067236 171042945 /nfs/dbraw/zinc/04/29/45/171042945.db2.gz HBVFNLLTORWUQS-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO NC1(C[NH3+])CCCCCCC1 33878151 171052506 /nfs/dbraw/zinc/05/25/06/171052506.db2.gz JDPOGMLCKVQEPW-UHFFFAOYSA-N 1 3 156.273 1.387 10 0 ADAEHO NCC(C[NH3+])c1ccc(Cl)cc1 34205054 171053886 /nfs/dbraw/zinc/05/38/86/171053886.db2.gz IZEQKRAAUCABAR-UHFFFAOYSA-N 1 3 184.670 1.341 10 0 ADAEHO CN1CCC(Nc2cc[nH+]cc2)CC1 37267618 171062908 /nfs/dbraw/zinc/06/29/08/171062908.db2.gz CZQSQNWKMKJQPC-UHFFFAOYSA-N 1 3 191.278 1.588 10 0 ADAEHO C[NH+]1CCC(Nc2ccncc2)CC1 37267618 171062909 /nfs/dbraw/zinc/06/29/09/171062909.db2.gz CZQSQNWKMKJQPC-UHFFFAOYSA-N 1 3 191.278 1.588 10 0 ADAEHO CN1CCC(N2CCCC2=[NH2+])CC1 37267518 171063096 /nfs/dbraw/zinc/06/30/96/171063096.db2.gz NEYXIOPOJXVOHP-UHFFFAOYSA-N 1 3 181.283 1.154 10 0 ADAEHO CCN(CC)CCC(C)(C)[NH3+] 82405599 171086466 /nfs/dbraw/zinc/08/64/66/171086466.db2.gz LCERAMQUFXPAHV-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CCCC(=[NH2+])N(C)CCCN(C)C 82544126 171086813 /nfs/dbraw/zinc/08/68/13/171086813.db2.gz RPMFOEVKUHVRKW-UHFFFAOYSA-N 1 3 185.315 1.647 10 0 ADAEHO [NH3+]CC1CCN(C/C=C/Cl)CC1 44513344 171090502 /nfs/dbraw/zinc/09/05/02/171090502.db2.gz GGCSGIJTFXQDSQ-DAFODLJHSA-N 1 3 188.702 1.410 10 0 ADAEHO CC1(C)C[C@H]1N1CCC([NH3+])CC1 45135291 171091188 /nfs/dbraw/zinc/09/11/88/171091188.db2.gz RFNCOONWIRNKNR-SECBINFHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[C@@H]1N1CCC([NH3+])CC1 45135290 171091342 /nfs/dbraw/zinc/09/13/42/171091342.db2.gz RFNCOONWIRNKNR-VIFPVBQESA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[C@@H]1[N@@H+]1CC[C@H](CN)C1 45135398 171091580 /nfs/dbraw/zinc/09/15/80/171091580.db2.gz STSQPEYBLHDWGX-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@@H]1[N@H+]1CC[C@H](CN)C1 45135398 171091581 /nfs/dbraw/zinc/09/15/81/171091581.db2.gz STSQPEYBLHDWGX-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@@H]1N1CC[C@H](C[NH3+])C1 45135398 171091585 /nfs/dbraw/zinc/09/15/85/171091585.db2.gz STSQPEYBLHDWGX-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1[N@@H+]1CC[C@H](CN)C1 45135399 171091675 /nfs/dbraw/zinc/09/16/75/171091675.db2.gz STSQPEYBLHDWGX-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1[N@H+]1CC[C@H](CN)C1 45135399 171091677 /nfs/dbraw/zinc/09/16/77/171091677.db2.gz STSQPEYBLHDWGX-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1N1CC[C@H](C[NH3+])C1 45135399 171091679 /nfs/dbraw/zinc/09/16/79/171091679.db2.gz STSQPEYBLHDWGX-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@@H]1[NH+]1CCCNCCC1 45136738 171092040 /nfs/dbraw/zinc/09/20/40/171092040.db2.gz KTJGADVOYFVYCN-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)C[C@H]1[NH+]1CCCNCCC1 45136739 171092693 /nfs/dbraw/zinc/09/26/93/171092693.db2.gz KTJGADVOYFVYCN-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO NC1CC[NH+](C(C2CC2)C2CC2)CC1 49235709 171094028 /nfs/dbraw/zinc/09/40/28/171094028.db2.gz SPABNKPJTHOVHF-UHFFFAOYSA-N 1 3 194.322 1.598 10 0 ADAEHO CN1CCC(N2CCCCC2=[NH2+])CC1 49584212 171094559 /nfs/dbraw/zinc/09/45/59/171094559.db2.gz NSVRFDOLROUTQZ-UHFFFAOYSA-N 1 3 195.310 1.544 10 0 ADAEHO CC(=O)CCCCN1CC[C@H](C[NH3+])C1 50250112 171095480 /nfs/dbraw/zinc/09/54/80/171095480.db2.gz FFZZZWWYRCJPOG-LLVKDONJSA-N 1 3 198.310 1.026 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C2CCC2)CCN1 52213779 171097839 /nfs/dbraw/zinc/09/78/39/171097839.db2.gz ZKPRUSUCJHKLMY-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1CC[N@H+](C2CCC2)CCN1 52213779 171097841 /nfs/dbraw/zinc/09/78/41/171097841.db2.gz ZKPRUSUCJHKLMY-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO NCC(C[NH3+])c1cccc(Cl)c1 71499631 171107712 /nfs/dbraw/zinc/10/77/12/171107712.db2.gz LOBLOGTXZFTGJK-UHFFFAOYSA-N 1 3 184.670 1.341 10 0 ADAEHO C[N@@H+]1CCCCC[C@H]1CCN 76592093 171117214 /nfs/dbraw/zinc/11/72/14/171117214.db2.gz RQWVVARERACGMS-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO C[N@H+]1CCCCC[C@H]1CCN 76592093 171117216 /nfs/dbraw/zinc/11/72/16/171117216.db2.gz RQWVVARERACGMS-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO C[N@@H+]1CCCCC[C@@H]1CCN 76592090 171117233 /nfs/dbraw/zinc/11/72/33/171117233.db2.gz RQWVVARERACGMS-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO C[N@H+]1CCCCC[C@@H]1CCN 76592090 171117235 /nfs/dbraw/zinc/11/72/35/171117235.db2.gz RQWVVARERACGMS-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CN1CCc2c(C[NH3+])cccc2C1 82789736 171124558 /nfs/dbraw/zinc/12/45/58/171124558.db2.gz VJJMQCXLZFFMGT-UHFFFAOYSA-N 1 3 176.263 1.133 10 0 ADAEHO NC1CC[NH+](C[C@@H]2C=CCCC2)CC1 95931495 171140261 /nfs/dbraw/zinc/14/02/61/171140261.db2.gz KDBDWEFSZKKBLA-LLVKDONJSA-N 1 3 194.322 1.766 10 0 ADAEHO [NH3+]C1CCN(C[C@@H]2C=CCCC2)CC1 95931495 171140264 /nfs/dbraw/zinc/14/02/64/171140264.db2.gz KDBDWEFSZKKBLA-LLVKDONJSA-N 1 3 194.322 1.766 10 0 ADAEHO NC1CC[NH+](C[C@H]2C=CCCC2)CC1 95931494 171140448 /nfs/dbraw/zinc/14/04/48/171140448.db2.gz KDBDWEFSZKKBLA-NSHDSACASA-N 1 3 194.322 1.766 10 0 ADAEHO [NH3+]C1CCN(C[C@H]2C=CCCC2)CC1 95931494 171140451 /nfs/dbraw/zinc/14/04/51/171140451.db2.gz KDBDWEFSZKKBLA-NSHDSACASA-N 1 3 194.322 1.766 10 0 ADAEHO CCCCCCN[C@@H]1CCC[NH2+]C1 43324855 171150536 /nfs/dbraw/zinc/15/05/36/171150536.db2.gz MIHHUORANMBBKN-LLVKDONJSA-N 1 3 184.327 1.908 10 0 ADAEHO CCCCCCN[C@H]1CCC[NH2+]C1 43324857 171150633 /nfs/dbraw/zinc/15/06/33/171150633.db2.gz MIHHUORANMBBKN-NSHDSACASA-N 1 3 184.327 1.908 10 0 ADAEHO CCC[NH2+][C@@H](C)CCN(C)CC 43821152 171151541 /nfs/dbraw/zinc/15/15/41/171151541.db2.gz PWSCUZPKUKVDFH-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCN(CC)CC(C)(C)C[NH3+] 49804682 171154973 /nfs/dbraw/zinc/15/49/73/171154973.db2.gz VOPPDUQFENQNOL-UHFFFAOYSA-N 1 3 158.289 1.313 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1CCNC1CC1 49773068 171154985 /nfs/dbraw/zinc/15/49/85/171154985.db2.gz TVQJREZERXXZRZ-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@H+]1CCCC[C@H]1CCNC1CC1 49773068 171154986 /nfs/dbraw/zinc/15/49/86/171154986.db2.gz TVQJREZERXXZRZ-NSHDSACASA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1CCNC1CC1 49773067 171155020 /nfs/dbraw/zinc/15/50/20/171155020.db2.gz TVQJREZERXXZRZ-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1CCNC1CC1 49773067 171155021 /nfs/dbraw/zinc/15/50/21/171155021.db2.gz TVQJREZERXXZRZ-LLVKDONJSA-N 1 3 182.311 1.613 10 0 ADAEHO CCN(CC)CC1(C[NH3+])CCCC1 49805939 171155273 /nfs/dbraw/zinc/15/52/73/171155273.db2.gz LWZZZXFDMXNLSP-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO CC(=O)CCC[N@@H+](C)C1CCNCC1 50158757 171155396 /nfs/dbraw/zinc/15/53/96/171155396.db2.gz JNBIWAYFEVVBMV-UHFFFAOYSA-N 1 3 198.310 1.039 10 0 ADAEHO CC(=O)CCC[N@H+](C)C1CCNCC1 50158757 171155398 /nfs/dbraw/zinc/15/53/98/171155398.db2.gz JNBIWAYFEVVBMV-UHFFFAOYSA-N 1 3 198.310 1.039 10 0 ADAEHO CC(=O)CCCCN1CC[C@@H](C[NH3+])C1 50250114 171155738 /nfs/dbraw/zinc/15/57/38/171155738.db2.gz FFZZZWWYRCJPOG-NSHDSACASA-N 1 3 198.310 1.026 10 0 ADAEHO CCN(CC)CC(C)(C)C[NH2+]C 51208565 171159146 /nfs/dbraw/zinc/15/91/46/171159146.db2.gz RCPFDAWVKOFSKW-UHFFFAOYSA-N 1 3 172.316 1.574 10 0 ADAEHO CC[NH+](CC)[C@@H](C)[C@H]1CCCNC1 20216989 171169437 /nfs/dbraw/zinc/16/94/37/171169437.db2.gz BQGICRDAKZSYEA-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH+](CC)[C@@H](C)[C@@H]1CCCNC1 20216987 171169806 /nfs/dbraw/zinc/16/98/06/171169806.db2.gz BQGICRDAKZSYEA-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CCCC[C@@H]2C[NH2+]CC[C@H]21 82401797 171171468 /nfs/dbraw/zinc/17/14/68/171171468.db2.gz XAQVGTFVKOYXQP-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]2CNCC[C@H]21 82401797 171171470 /nfs/dbraw/zinc/17/14/70/171171470.db2.gz XAQVGTFVKOYXQP-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1CCCC[C@@H]2CNCC[C@H]21 82401797 171171472 /nfs/dbraw/zinc/17/14/72/171171472.db2.gz XAQVGTFVKOYXQP-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 82401781 171171632 /nfs/dbraw/zinc/17/16/32/171171632.db2.gz QWTCXAQKJWJRCV-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 82401782 171171661 /nfs/dbraw/zinc/17/16/61/171171661.db2.gz QWTCXAQKJWJRCV-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@@H+]1CCCCCC12CCNCC2 82875400 171176315 /nfs/dbraw/zinc/17/63/15/171176315.db2.gz MQTSEKWQYSOVHX-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO C[N@H+]1CCCCCC12CCNCC2 82875400 171176317 /nfs/dbraw/zinc/17/63/17/171176317.db2.gz MQTSEKWQYSOVHX-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CN1CCCC[C@@]2(CC[NH2+]C2)C1 83270891 171180255 /nfs/dbraw/zinc/18/02/55/171180255.db2.gz DMOKZPKTNBSENX-JTQLQIEISA-N 1 3 168.284 1.082 10 0 ADAEHO CN1CCCC[C@]2(CC[NH2+]C2)C1 83270890 171180359 /nfs/dbraw/zinc/18/03/59/171180359.db2.gz DMOKZPKTNBSENX-SNVBAGLBSA-N 1 3 168.284 1.082 10 0 ADAEHO C1C[NH2+]CC[C@@H](N[C@@H]2CC23CC3)C1 335077548 171182914 /nfs/dbraw/zinc/18/29/14/171182914.db2.gz MWJISLBZMCPBPA-VHSXEESVSA-N 1 3 180.295 1.271 10 0 ADAEHO CN1CCC([C@H](C[NH3+])C(C)(C)C)CC1 77296486 171195446 /nfs/dbraw/zinc/19/54/46/171195446.db2.gz XHJNJSGZIDXEPC-NSHDSACASA-N 1 3 198.354 1.949 10 0 ADAEHO CN1CCC([C@@H](C[NH3+])C(C)(C)C)CC1 77296487 171195739 /nfs/dbraw/zinc/19/57/39/171195739.db2.gz XHJNJSGZIDXEPC-LLVKDONJSA-N 1 3 198.354 1.949 10 0 ADAEHO C[NH+]1CCC([C@@H](N)c2ccc[nH]2)CC1 77278518 171196140 /nfs/dbraw/zinc/19/61/40/171196140.db2.gz PGHDDDVKAFZCRQ-LLVKDONJSA-N 1 3 193.294 1.356 10 0 ADAEHO CN1CCC([C@@H]([NH3+])c2ccc[nH]2)CC1 77278518 171196141 /nfs/dbraw/zinc/19/61/41/171196141.db2.gz PGHDDDVKAFZCRQ-LLVKDONJSA-N 1 3 193.294 1.356 10 0 ADAEHO C[NH+]1CCC([C@H](N)c2ccc[nH]2)CC1 77278514 171196512 /nfs/dbraw/zinc/19/65/12/171196512.db2.gz PGHDDDVKAFZCRQ-NSHDSACASA-N 1 3 193.294 1.356 10 0 ADAEHO CN1CCC([C@H]([NH3+])c2ccc[nH]2)CC1 77278514 171196514 /nfs/dbraw/zinc/19/65/14/171196514.db2.gz PGHDDDVKAFZCRQ-NSHDSACASA-N 1 3 193.294 1.356 10 0 ADAEHO C1C[NH2+]CC[C@H](N[C@@H]2CC23CC3)C1 335077546 171201540 /nfs/dbraw/zinc/20/15/40/171201540.db2.gz MWJISLBZMCPBPA-NXEZZACHSA-N 1 3 180.295 1.271 10 0 ADAEHO C1C[NH2+]CC[C@@H](N[C@H]2CC23CC3)C1 335077547 171202065 /nfs/dbraw/zinc/20/20/65/171202065.db2.gz MWJISLBZMCPBPA-UWVGGRQHSA-N 1 3 180.295 1.271 10 0 ADAEHO C1C[NH2+]CC[C@H](N[C@H]2CC23CC3)C1 335077549 171202213 /nfs/dbraw/zinc/20/22/13/171202213.db2.gz MWJISLBZMCPBPA-ZJUUUORDSA-N 1 3 180.295 1.271 10 0 ADAEHO C[C@@H]1CC([NH2+]CC2CNC2)C[C@@H](C)C1 335551116 171203607 /nfs/dbraw/zinc/20/36/07/171203607.db2.gz ARAOAWSXHOQHNZ-UWVGGRQHSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]1CC([NH2+]CC2CNC2)C[C@H](C)C1 335551115 171204207 /nfs/dbraw/zinc/20/42/07/171204207.db2.gz ARAOAWSXHOQHNZ-NXEZZACHSA-N 1 3 196.338 1.620 10 0 ADAEHO NCC(C[NH3+])c1ccccc1Cl 39375618 171078756 /nfs/dbraw/zinc/07/87/56/171078756.db2.gz NEYIANNXWQDZRP-UHFFFAOYSA-N 1 3 184.670 1.341 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@H](C)CCN)C1 149921420 344073254 /nfs/dbraw/zinc/07/32/54/344073254.db2.gz TZKXBNIAYJIQLO-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]([NH3+])CN1C[C@@H]2CCC[C@H]2C1 156546574 344091028 /nfs/dbraw/zinc/09/10/28/344091028.db2.gz NPADXJMQKICCOX-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C/C(=C\CC[NH3+])CCN1C 157022279 344099488 /nfs/dbraw/zinc/09/94/88/344099488.db2.gz KWZSTQXQAUOWPR-BABIGQSTSA-N 1 3 168.284 1.376 10 0 ADAEHO C[C@H]1C/C(=C\CC[NH3+])CCN1C 157022418 344099538 /nfs/dbraw/zinc/09/95/38/344099538.db2.gz KWZSTQXQAUOWPR-SGRPLGENSA-N 1 3 168.284 1.376 10 0 ADAEHO CC[C@H]1C[N@H+](C2CCCC2)CC[C@@H]1N 157894251 344115946 /nfs/dbraw/zinc/11/59/46/344115946.db2.gz CTKYCLGNYGBTKH-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO F[C@]1([C@H]2CCCCC[NH2+]2)CCNC1 158185382 344120665 /nfs/dbraw/zinc/12/06/65/344120665.db2.gz RQMFPFMEVDZYQO-NXEZZACHSA-N 1 3 186.274 1.220 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@@H+](C2CCCC2)C1 160580468 344170262 /nfs/dbraw/zinc/17/02/62/344170262.db2.gz PBTZMAUKBOQAFY-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@H+](C2CCCC2)C1 160580468 344170263 /nfs/dbraw/zinc/17/02/63/344170263.db2.gz PBTZMAUKBOQAFY-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@H+](CC(C)(C)C)C1 160578820 344170266 /nfs/dbraw/zinc/17/02/66/344170266.db2.gz RNEOYYJZWALCDF-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@@H+](CC(C)(C)C)C1 160578820 344170267 /nfs/dbraw/zinc/17/02/67/344170267.db2.gz RNEOYYJZWALCDF-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@H+](CC(C)(C)C)C1 160578589 344170285 /nfs/dbraw/zinc/17/02/85/344170285.db2.gz RNEOYYJZWALCDF-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@@H+](CC(C)(C)C)C1 160578589 344170286 /nfs/dbraw/zinc/17/02/86/344170286.db2.gz RNEOYYJZWALCDF-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+](CC(C)(C)C)C1 160578699 344170291 /nfs/dbraw/zinc/17/02/91/344170291.db2.gz RNEOYYJZWALCDF-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+](CC(C)(C)C)C1 160578699 344170292 /nfs/dbraw/zinc/17/02/92/344170292.db2.gz RNEOYYJZWALCDF-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+]([C@@H](C)C2(C)CC2)C1 160577677 344170310 /nfs/dbraw/zinc/17/03/10/344170310.db2.gz GNDKYTQQBIVKPB-DCAQKATOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 160577677 344170311 /nfs/dbraw/zinc/17/03/11/344170311.db2.gz GNDKYTQQBIVKPB-DCAQKATOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+]([C@@H](C)C2(C)CC2)C1 160577421 344170316 /nfs/dbraw/zinc/17/03/16/344170316.db2.gz GNDKYTQQBIVKPB-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 160577421 344170317 /nfs/dbraw/zinc/17/03/17/344170317.db2.gz GNDKYTQQBIVKPB-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)N)C1 160572827 344170325 /nfs/dbraw/zinc/17/03/25/344170325.db2.gz LLATYDIRAMZWFE-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)N)C1 160572827 344170326 /nfs/dbraw/zinc/17/03/26/344170326.db2.gz LLATYDIRAMZWFE-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+](C2CCCC2)C1 160580363 344170346 /nfs/dbraw/zinc/17/03/46/344170346.db2.gz PBTZMAUKBOQAFY-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+](C2CCCC2)C1 160580363 344170347 /nfs/dbraw/zinc/17/03/47/344170347.db2.gz PBTZMAUKBOQAFY-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+](CC(C)(C)C)C1 160578473 344170362 /nfs/dbraw/zinc/17/03/62/344170362.db2.gz RNEOYYJZWALCDF-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+](CC(C)(C)C)C1 160578473 344170363 /nfs/dbraw/zinc/17/03/63/344170363.db2.gz RNEOYYJZWALCDF-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO NC1(C[NH3+])CCC2(CCCC2)CC1 161375218 344190405 /nfs/dbraw/zinc/19/04/05/344190405.db2.gz GOBGJFRTQWPCFK-UHFFFAOYSA-N 1 3 182.311 1.777 10 0 ADAEHO CC1CC[NH+](C[C@H](C)[C@@H](C)N)CC1 164935644 344255035 /nfs/dbraw/zinc/25/50/35/344255035.db2.gz CALJFRJIORFXAY-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CC1CNC1 164970251 344255947 /nfs/dbraw/zinc/25/59/47/344255947.db2.gz UUTGPQFOLOYTEZ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([NH3+])[C@H](C)CNCc1ccccc1 165052732 344257699 /nfs/dbraw/zinc/25/76/99/344257699.db2.gz YFXLMUKABFMXTL-GHMZBOCLSA-N 1 3 192.306 1.760 10 0 ADAEHO C[C@H]1CCC[C@@H]([N@H+](C)CC2CNC2)C1 165098740 344258029 /nfs/dbraw/zinc/25/80/29/344258029.db2.gz SHCNVLXOAFYHCI-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCC[C@@H]([N@@H+](C)CC2CNC2)C1 165098740 344258030 /nfs/dbraw/zinc/25/80/30/344258030.db2.gz SHCNVLXOAFYHCI-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCC[C@@H](N(C)CC2C[NH2+]C2)C1 165098740 344258032 /nfs/dbraw/zinc/25/80/32/344258032.db2.gz SHCNVLXOAFYHCI-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1CNC1 165141812 344258975 /nfs/dbraw/zinc/25/89/75/344258975.db2.gz OPXGEOSWBLSDOX-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1CNC1 165141812 344258977 /nfs/dbraw/zinc/25/89/77/344258977.db2.gz OPXGEOSWBLSDOX-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1([NH2+]CC2CNC2)CCCCC1 165167261 344259035 /nfs/dbraw/zinc/25/90/35/344259035.db2.gz NIGDLEIUXXFEMJ-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@H]1CCCC[C@H]1[N@H+](C)CC1CNC1 165141928 344259048 /nfs/dbraw/zinc/25/90/48/344259048.db2.gz OPXGEOSWBLSDOX-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)CC1CNC1 165141928 344259049 /nfs/dbraw/zinc/25/90/49/344259049.db2.gz OPXGEOSWBLSDOX-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCCCC[N@@H+]1CC1CNC1 165220094 344260038 /nfs/dbraw/zinc/26/00/38/344260038.db2.gz RCWOUPAVUGUWMN-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCCCC[N@H+]1CC1CNC1 165220094 344260039 /nfs/dbraw/zinc/26/00/39/344260039.db2.gz RCWOUPAVUGUWMN-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CCC[N@@H+]1CC1CNC1 165201092 344260067 /nfs/dbraw/zinc/26/00/67/344260067.db2.gz CEGMGBQDMCRTFG-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1(C)CCC[N@H+]1CC1CNC1 165201092 344260068 /nfs/dbraw/zinc/26/00/68/344260068.db2.gz CEGMGBQDMCRTFG-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1(C)CCC[N@H+](CC2CNC2)CC1 165233201 344260499 /nfs/dbraw/zinc/26/04/99/344260499.db2.gz HCZRGFBSWWZIAV-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[C@H]1CC[C@H](C)[N@@H+]1CC1CNC1 165275531 344260881 /nfs/dbraw/zinc/26/08/81/344260881.db2.gz HUQHQJFMCPUXOW-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CC[C@H](C)[N@H+]1CC1CNC1 165275531 344260883 /nfs/dbraw/zinc/26/08/83/344260883.db2.gz HUQHQJFMCPUXOW-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[C@H](C)[N@H+]1CC1CNC1 165275420 344260939 /nfs/dbraw/zinc/26/09/39/344260939.db2.gz HUQHQJFMCPUXOW-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1CN1CC=CCC1 166086723 344274264 /nfs/dbraw/zinc/27/42/64/344274264.db2.gz OMQMQASFSNTPIJ-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO NCC1(C[N@H+]2CC=CCC2)CCCC1 166088530 344274297 /nfs/dbraw/zinc/27/42/97/344274297.db2.gz FPWGEUTWYDNSRM-UHFFFAOYSA-N 1 3 194.322 1.767 10 0 ADAEHO NCC1(C[N@@H+]2CC=CCC2)CCCC1 166088530 344274298 /nfs/dbraw/zinc/27/42/98/344274298.db2.gz FPWGEUTWYDNSRM-UHFFFAOYSA-N 1 3 194.322 1.767 10 0 ADAEHO [NH3+]CC1(CN2CC=CCC2)CCCC1 166088530 344274299 /nfs/dbraw/zinc/27/42/99/344274299.db2.gz FPWGEUTWYDNSRM-UHFFFAOYSA-N 1 3 194.322 1.767 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CC=CCC1 166108875 344274850 /nfs/dbraw/zinc/27/48/50/344274850.db2.gz DKUIIHJYUQKABD-GHMZBOCLSA-N 1 3 180.295 1.104 10 0 ADAEHO NCC1(C[N@H+]2CC=CCC2)CCC1 166119584 344275026 /nfs/dbraw/zinc/27/50/26/344275026.db2.gz GAHDBNUEKJPCQT-UHFFFAOYSA-N 1 3 180.295 1.377 10 0 ADAEHO CC1=CC[N@H+](C[C@@H](N)C(C)C)CC1 166151291 344275495 /nfs/dbraw/zinc/27/54/95/344275495.db2.gz CKWIYEBLCPSHRK-LLVKDONJSA-N 1 3 182.311 1.622 10 0 ADAEHO CC1=CC[N@@H+](C[C@@H](N)C(C)C)CC1 166151291 344275496 /nfs/dbraw/zinc/27/54/96/344275496.db2.gz CKWIYEBLCPSHRK-LLVKDONJSA-N 1 3 182.311 1.622 10 0 ADAEHO CC1=CCN(C[C@H]2C[NH2+]C[C@H]2C)CC1 166146714 344275500 /nfs/dbraw/zinc/27/55/00/344275500.db2.gz NKLPBSLRAMDCQV-VXGBXAGGSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCN(CC(C)(C)C[NH3+])CC1 166148239 344275504 /nfs/dbraw/zinc/27/55/04/344275504.db2.gz ROEBYZSDZDCMDQ-UHFFFAOYSA-N 1 3 182.311 1.623 10 0 ADAEHO CC1=CC[N@H+](CC(C)(C)CN)CC1 166148239 344275505 /nfs/dbraw/zinc/27/55/05/344275505.db2.gz ROEBYZSDZDCMDQ-UHFFFAOYSA-N 1 3 182.311 1.623 10 0 ADAEHO CC1=CC[N@@H+](CC(C)(C)CN)CC1 166148239 344275506 /nfs/dbraw/zinc/27/55/06/344275506.db2.gz ROEBYZSDZDCMDQ-UHFFFAOYSA-N 1 3 182.311 1.623 10 0 ADAEHO CC1=CCN(C[C@@H]2C[NH2+]C[C@@H]2C)CC1 166146959 344275518 /nfs/dbraw/zinc/27/55/18/344275518.db2.gz NKLPBSLRAMDCQV-RYUDHWBXSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 166146883 344275528 /nfs/dbraw/zinc/27/55/28/344275528.db2.gz NKLPBSLRAMDCQV-NEPJUHHUSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCN(C[C@H](C)C[NH3+])CC1 166141892 344275550 /nfs/dbraw/zinc/27/55/50/344275550.db2.gz OYUZIBYKPJPZGB-SNVBAGLBSA-N 1 3 168.284 1.233 10 0 ADAEHO CC(C[N@H+]1CC=CCC1)=C1CNC1 166126736 344275558 /nfs/dbraw/zinc/27/55/58/344275558.db2.gz ONBDQMQHDITUKT-UHFFFAOYSA-N 1 3 178.279 1.168 10 0 ADAEHO CC(C[N@@H+]1CC=CCC1)=C1CNC1 166126736 344275559 /nfs/dbraw/zinc/27/55/59/344275559.db2.gz ONBDQMQHDITUKT-UHFFFAOYSA-N 1 3 178.279 1.168 10 0 ADAEHO CC1=CCN(C[C@H]2C[NH2+]C[C@@H]2C)CC1 166146806 344275563 /nfs/dbraw/zinc/27/55/63/344275563.db2.gz NKLPBSLRAMDCQV-NWDGAFQWSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CC[N@@H+]([C@@H]2CCC[C@@H]2CN)CC1 168505318 344332024 /nfs/dbraw/zinc/33/20/24/344332024.db2.gz ZRVCVXCUCZMNNW-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=CC[N@H+]([C@@H]2CCC[C@@H]2CN)CC1 168505318 344332025 /nfs/dbraw/zinc/33/20/25/344332025.db2.gz ZRVCVXCUCZMNNW-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])C[C@@H]1C 168972347 344341707 /nfs/dbraw/zinc/34/17/07/344341707.db2.gz CCRXKIRSQVVNEL-OHINUGQQSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)(C[NH3+])CNc1ccncc1 168946776 344340903 /nfs/dbraw/zinc/34/09/03/344340903.db2.gz HJIWUPJPOIFGKY-UHFFFAOYSA-N 1 3 179.267 1.478 10 0 ADAEHO C[C@H]1CN[C@H](C)CC[N@H+](C2CCC2)C1 216372052 344397125 /nfs/dbraw/zinc/39/71/25/344397125.db2.gz SXXRLEBBPJYVDB-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@H+]([C@H]2C[C@H]2C)C1 216466321 344397539 /nfs/dbraw/zinc/39/75/39/344397539.db2.gz QRLCTBNPWXKJMJ-KKOKHZNYSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1C[C@@H]1[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 216466364 344397617 /nfs/dbraw/zinc/39/76/17/344397617.db2.gz QRLCTBNPWXKJMJ-KXNHARMFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1C[NH2+][C@H](C)CCN([C@@H]2C[C@H]2C)C1 216466410 344397667 /nfs/dbraw/zinc/39/76/67/344397667.db2.gz QRLCTBNPWXKJMJ-DDHJBXDOSA-N 1 3 196.338 1.715 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1C 216616246 344398714 /nfs/dbraw/zinc/39/87/14/344398714.db2.gz VFDQXQRDMSSMGI-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H]1C 216616329 344398793 /nfs/dbraw/zinc/39/87/93/344398793.db2.gz VFDQXQRDMSSMGI-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CCC[N@@H+](C[C@H](C)CN)CC1 216795589 344399376 /nfs/dbraw/zinc/39/93/76/344399376.db2.gz XDWCNLOZJNSWKY-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCC[N@H+](C[C@H](C)CN)CC1 216795589 344399377 /nfs/dbraw/zinc/39/93/77/344399377.db2.gz XDWCNLOZJNSWKY-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](C2CCC2)C1 215781764 344392041 /nfs/dbraw/zinc/39/20/41/344392041.db2.gz RYHAGTXNFCXDET-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H](C)C1 217718693 344405222 /nfs/dbraw/zinc/40/52/22/344405222.db2.gz OETNBEQQAVFWJE-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H](C)C1 217718693 344405223 /nfs/dbraw/zinc/40/52/23/344405223.db2.gz OETNBEQQAVFWJE-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@]1([NH3+])CCN(C2CCCC2)C1 218761160 344415722 /nfs/dbraw/zinc/41/57/22/344415722.db2.gz DHKPYMVIKFZHJC-SNVBAGLBSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@@H]1CCN(CC)C[C@@H](C)C[NH2+]1 219640780 344426220 /nfs/dbraw/zinc/42/62/20/344426220.db2.gz DBLOOTDCWCQFED-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1CC[C@H](C)NC[C@@H](C)C1 219641005 344426298 /nfs/dbraw/zinc/42/62/98/344426298.db2.gz OVGAIJJAYVSGPV-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 219642975 344426439 /nfs/dbraw/zinc/42/64/39/344426439.db2.gz BSMDHDBHJYCCFS-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 219642975 344426441 /nfs/dbraw/zinc/42/64/41/344426441.db2.gz BSMDHDBHJYCCFS-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 219779062 344428482 /nfs/dbraw/zinc/42/84/82/344428482.db2.gz XJWVCTBPKQYKTK-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@H](N)[C@@H](C)C1 219779062 344428483 /nfs/dbraw/zinc/42/84/83/344428483.db2.gz XJWVCTBPKQYKTK-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN2CCCC[C@@H]12 220687066 344434482 /nfs/dbraw/zinc/43/44/82/344434482.db2.gz ISZRZQQIXOOJJV-ZJUUUORDSA-N 1 3 195.310 1.590 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 221708236 344445683 /nfs/dbraw/zinc/44/56/83/344445683.db2.gz UNMQDQDLCZFPHU-KXNHARMFSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 221708236 344445684 /nfs/dbraw/zinc/44/56/84/344445684.db2.gz UNMQDQDLCZFPHU-KXNHARMFSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 221657433 344445046 /nfs/dbraw/zinc/44/50/46/344445046.db2.gz UCTGDYJUVSDRSU-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 221657433 344445047 /nfs/dbraw/zinc/44/50/47/344445047.db2.gz UCTGDYJUVSDRSU-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCCC[C@@H]1C 221639667 344445050 /nfs/dbraw/zinc/44/50/50/344445050.db2.gz QVNSDLPZPFYUEJ-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@H+](CC2CC2)[C@@H]1C 221777790 344445590 /nfs/dbraw/zinc/44/55/90/344445590.db2.gz LHQYQELUHPKMEX-IQJOONFLSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@@H+](CC2CC2)[C@@H]1C 221777790 344445592 /nfs/dbraw/zinc/44/55/92/344445592.db2.gz LHQYQELUHPKMEX-IQJOONFLSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN(CC2CC2)[C@@H]1C 221777790 344445594 /nfs/dbraw/zinc/44/55/94/344445594.db2.gz LHQYQELUHPKMEX-IQJOONFLSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@@H+](C(C)(C)C)[C@@H]1C 221778187 344445607 /nfs/dbraw/zinc/44/56/07/344445607.db2.gz GFQQCCUBTRKKRL-IVZWLZJFSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@H+](C(C)(C)C)[C@@H]1C 221778187 344445609 /nfs/dbraw/zinc/44/56/09/344445609.db2.gz GFQQCCUBTRKKRL-IVZWLZJFSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]1CC[C@H](N)[C@@H]([N@H+](C)C2CC2)C1 222002464 344447951 /nfs/dbraw/zinc/44/79/51/344447951.db2.gz KAQPBKGFKLZOTR-MIMYLULJSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@H](N)[C@@H]([N@@H+](C)C2CC2)C1 222002464 344447953 /nfs/dbraw/zinc/44/79/53/344447953.db2.gz KAQPBKGFKLZOTR-MIMYLULJSA-N 1 3 182.311 1.597 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 222864439 344454850 /nfs/dbraw/zinc/45/48/50/344454850.db2.gz OJKQAEAXMKXARP-GMTAPVOTSA-N 1 3 180.295 1.565 10 0 ADAEHO CCC[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221808517 344446205 /nfs/dbraw/zinc/44/62/05/344446205.db2.gz TXBVJMQYSIGRPT-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221808517 344446206 /nfs/dbraw/zinc/44/62/06/344446206.db2.gz TXBVJMQYSIGRPT-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 221808517 344446207 /nfs/dbraw/zinc/44/62/07/344446207.db2.gz TXBVJMQYSIGRPT-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221806387 344446211 /nfs/dbraw/zinc/44/62/11/344446211.db2.gz PMLJEEMQRMRBCO-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221806387 344446212 /nfs/dbraw/zinc/44/62/12/344446212.db2.gz PMLJEEMQRMRBCO-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 221806387 344446213 /nfs/dbraw/zinc/44/62/13/344446213.db2.gz PMLJEEMQRMRBCO-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](N)[C@@H](C)[C@@H]1C 221779364 344446219 /nfs/dbraw/zinc/44/62/19/344446219.db2.gz GQUINWVHTBVPRL-LPEHRKFASA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](N)[C@@H](C)[C@@H]1C 221779364 344446220 /nfs/dbraw/zinc/44/62/20/344446220.db2.gz GQUINWVHTBVPRL-LPEHRKFASA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])[C@@H](C)[C@@H]1C 221779364 344446221 /nfs/dbraw/zinc/44/62/21/344446221.db2.gz GQUINWVHTBVPRL-LPEHRKFASA-N 1 3 170.300 1.452 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC2)[C@@H](C)[C@@H]1C 221806670 344446224 /nfs/dbraw/zinc/44/62/24/344446224.db2.gz KYOXUPPZAPMMRM-ATZCPNFKSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](N)C1 223122937 344457506 /nfs/dbraw/zinc/45/75/06/344457506.db2.gz WCCUCNIAOOUZHC-HBNTYKKESA-N 1 3 184.327 1.843 10 0 ADAEHO CN(CC1CC1)[C@H]1CC[C@@H]([NH3+])C1 223134685 344457666 /nfs/dbraw/zinc/45/76/66/344457666.db2.gz LMEUFBKFYLEMCX-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@H]1CC[C@@H](N)C1 223176704 344457908 /nfs/dbraw/zinc/45/79/08/344457908.db2.gz MTOCQZFWICGEDA-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H](N)C1 223189171 344458088 /nfs/dbraw/zinc/45/80/88/344458088.db2.gz UHKYQRBDRHBAKC-WRWGMCAJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](N)C2)C[C@@H]1C 223192302 344458149 /nfs/dbraw/zinc/45/81/49/344458149.db2.gz WSZOXSKBXKZGIV-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](N)C2)C[C@@H]1C 223192302 344458150 /nfs/dbraw/zinc/45/81/50/344458150.db2.gz WSZOXSKBXKZGIV-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@@H]1CC[C@@H](N)C1 223176648 344458305 /nfs/dbraw/zinc/45/83/05/344458305.db2.gz MTOCQZFWICGEDA-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@@H]1CC[C@@H](N)C1 223176648 344458307 /nfs/dbraw/zinc/45/83/07/344458307.db2.gz MTOCQZFWICGEDA-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO [NH3+][C@@H]1CCN(C[C@@H]2CC=CCC2)C1 223314127 344459278 /nfs/dbraw/zinc/45/92/78/344459278.db2.gz BEVUZSWIVZXGQQ-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO CCC[C@H]1C[N@@H+](C)[C@@H](C)CCN1 224384619 344468549 /nfs/dbraw/zinc/46/85/49/344468549.db2.gz OXCYVZFFHFMMEK-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN1CC[C@@]2(CC[N@H+](C)C2)C1 226083429 344492141 /nfs/dbraw/zinc/49/21/41/344492141.db2.gz JKJRAMMTPPUSTB-SNVBAGLBSA-N 1 3 168.284 1.034 10 0 ADAEHO CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 226083429 344492142 /nfs/dbraw/zinc/49/21/42/344492142.db2.gz JKJRAMMTPPUSTB-SNVBAGLBSA-N 1 3 168.284 1.034 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@H+](C)C(C)C)C1 225389372 344480468 /nfs/dbraw/zinc/48/04/68/344480468.db2.gz NNIKEAZTCKAHQR-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](C)C2)C1 225397739 344481222 /nfs/dbraw/zinc/48/12/22/344481222.db2.gz AISCZRIFOXUADW-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](C)C2)C1 225397739 344481224 /nfs/dbraw/zinc/48/12/24/344481224.db2.gz AISCZRIFOXUADW-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H](C)CC[N@H+]1CCCN 225692102 344484302 /nfs/dbraw/zinc/48/43/02/344484302.db2.gz QDFUXIQGKKNUGV-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@@]2(F)CCNC2)C1 225688644 344484327 /nfs/dbraw/zinc/48/43/27/344484327.db2.gz VPDRJPDRCIFANB-KXUCPTDWSA-N 1 3 186.274 1.076 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@@]2(F)CCNC2)C1 225688585 344484356 /nfs/dbraw/zinc/48/43/56/344484356.db2.gz VPDRJPDRCIFANB-OPRDCNLKSA-N 1 3 186.274 1.076 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N2CC[C@@H](C)C2)C1 225718932 344485156 /nfs/dbraw/zinc/48/51/56/344485156.db2.gz FRNATULABJWNML-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1N 226347567 344500324 /nfs/dbraw/zinc/50/03/24/344500324.db2.gz QQCXDTONDCLBRY-IVZWLZJFSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1N 226347567 344500325 /nfs/dbraw/zinc/50/03/25/344500325.db2.gz QQCXDTONDCLBRY-IVZWLZJFSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]([NH3+])CCN1CCSC[C@@H]1C 226403281 344501682 /nfs/dbraw/zinc/50/16/82/344501682.db2.gz IWJBNDBCUYHILS-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CCC[NH2+]CC1 226482405 344504236 /nfs/dbraw/zinc/50/42/36/344504236.db2.gz ADLADZICACGTLM-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](CN(C)C)C1 226476186 344504239 /nfs/dbraw/zinc/50/42/39/344504239.db2.gz AXWHSRITMXSHSL-IJLUTSLNSA-N 1 3 198.354 1.948 10 0 ADAEHO CC1CN([C@@H]2CCC[NH2+]CC2)C1 226482902 344504678 /nfs/dbraw/zinc/50/46/78/344504678.db2.gz SYSLIOJIOQQFKT-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226575905 344506834 /nfs/dbraw/zinc/50/68/34/344506834.db2.gz XJCSHBWHUVSWEC-SRVKXCTJSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 226575905 344506836 /nfs/dbraw/zinc/50/68/36/344506836.db2.gz XJCSHBWHUVSWEC-SRVKXCTJSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226562851 344506730 /nfs/dbraw/zinc/50/67/30/344506730.db2.gz FPRWPBDHOFXTDC-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 226562851 344506731 /nfs/dbraw/zinc/50/67/31/344506731.db2.gz FPRWPBDHOFXTDC-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCN(C2CC([NH3+])C2)[C@@H](C)C1 226874902 344516447 /nfs/dbraw/zinc/51/64/47/344516447.db2.gz OATVCPQQGRGSFK-SAAXCQNUSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H](C1CCCC1)[N@@H+]1CC[C@@H](CN)C1 227162095 344523970 /nfs/dbraw/zinc/52/39/70/344523970.db2.gz XYULSIRPMVZEGW-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](C1CCCC1)[N@H+]1CC[C@@H](CN)C1 227162095 344523972 /nfs/dbraw/zinc/52/39/72/344523972.db2.gz XYULSIRPMVZEGW-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H](N)[C@@H]([NH+](C)C)C1 227340582 344528705 /nfs/dbraw/zinc/52/87/05/344528705.db2.gz YNVKVEAONSHOBY-MXWKQRLJSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@@H]1CC[C@H](N)[C@@H]([NH+](C)C)C1 227340597 344528710 /nfs/dbraw/zinc/52/87/10/344528710.db2.gz YNVKVEAONSHOBY-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H]([N@@H+]1CCC[C@@H](CN)C1)C1(C)CC1 227568881 344535606 /nfs/dbraw/zinc/53/56/06/344535606.db2.gz FMVWRKUTAKEYCN-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([N@H+]1CCC[C@@H](CN)C1)C1(C)CC1 227568881 344535607 /nfs/dbraw/zinc/53/56/07/344535607.db2.gz FMVWRKUTAKEYCN-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([N@@H+]1CC[C@@H](CN)C1)C1(C)CC1 227568921 344535638 /nfs/dbraw/zinc/53/56/38/344535638.db2.gz HWGMETSXLYGSQM-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]([N@H+]1CC[C@@H](CN)C1)C1(C)CC1 227568921 344535639 /nfs/dbraw/zinc/53/56/39/344535639.db2.gz HWGMETSXLYGSQM-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@H+]2CCC[C@@H]2C)C1 227937863 344551136 /nfs/dbraw/zinc/55/11/36/344551136.db2.gz IJIIMZHUCBOADZ-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 227937863 344551138 /nfs/dbraw/zinc/55/11/38/344551138.db2.gz IJIIMZHUCBOADZ-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CC[C@@H]2CCCC[C@H]21 227967635 344553386 /nfs/dbraw/zinc/55/33/86/344553386.db2.gz FPRWPBDHOFXTDC-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1([NH+]2CCC(N)CC2)CCC1 228868317 344572038 /nfs/dbraw/zinc/57/20/38/344572038.db2.gz BJBYDLJURIEIRK-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1(C)CC1 228867737 344572221 /nfs/dbraw/zinc/57/22/21/344572221.db2.gz LBQUVDKCGPMHFU-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1(C)CC1 228867724 344572247 /nfs/dbraw/zinc/57/22/47/344572247.db2.gz LBQUVDKCGPMHFU-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO CC1CC([N@@H+]2CC[C@H](N)[C@@H](C)C2)C1 228979405 344578471 /nfs/dbraw/zinc/57/84/71/344578471.db2.gz PRFSPTSYEHAVCL-YIYTYNFBSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@H+]2CC[C@H](N)[C@@H](C)C2)C1 228979405 344578472 /nfs/dbraw/zinc/57/84/72/344578472.db2.gz PRFSPTSYEHAVCL-YIYTYNFBSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC(N2CC[C@H]([NH3+])[C@@H](C)C2)C1 228979405 344578473 /nfs/dbraw/zinc/57/84/73/344578473.db2.gz PRFSPTSYEHAVCL-YIYTYNFBSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCN)C1 229368231 344593130 /nfs/dbraw/zinc/59/31/30/344593130.db2.gz BNRKBFSREWYTJW-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCN)C1 229368231 344593131 /nfs/dbraw/zinc/59/31/31/344593131.db2.gz BNRKBFSREWYTJW-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC1(N2CCC([NH3+])CC2)CCC1 229500776 344598807 /nfs/dbraw/zinc/59/88/07/344598807.db2.gz AQNRZEOEHIYTJT-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C)C2)CCN1 229543111 344602124 /nfs/dbraw/zinc/60/21/24/344602124.db2.gz BGQRFNRNYXFUIB-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)C2)CCN1 229543111 344602125 /nfs/dbraw/zinc/60/21/25/344602125.db2.gz BGQRFNRNYXFUIB-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CCCC(=[NH2+])N[C@H]1CCN(C)C[C@@H]1C 229670855 344610570 /nfs/dbraw/zinc/61/05/70/344610570.db2.gz AZDPWDDJZAHAGN-UWVGGRQHSA-N 1 3 197.326 1.694 10 0 ADAEHO CCCC(=[NH2+])N[C@@H]1CCN(C)C[C@@H]1C 229670841 344610598 /nfs/dbraw/zinc/61/05/98/344610598.db2.gz AZDPWDDJZAHAGN-VHSXEESVSA-N 1 3 197.326 1.694 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@@H]1C=CCCC1 230362605 344632010 /nfs/dbraw/zinc/63/20/10/344632010.db2.gz ZYXYDTYCPSJXPY-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 230361975 344631989 /nfs/dbraw/zinc/63/19/89/344631989.db2.gz OSIUYEFBFYKWHG-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 230361975 344631990 /nfs/dbraw/zinc/63/19/90/344631990.db2.gz OSIUYEFBFYKWHG-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+]C[C@@H]1CCN([C@@H]2C=CCCC2)C1 230361975 344631992 /nfs/dbraw/zinc/63/19/92/344631992.db2.gz OSIUYEFBFYKWHG-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@@H]1C=CCCC1 230362605 344632008 /nfs/dbraw/zinc/63/20/08/344632008.db2.gz ZYXYDTYCPSJXPY-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@H]1CC[C@@H](C[NH2+]C2CCNCC2)C1 230413421 344635464 /nfs/dbraw/zinc/63/54/64/344635464.db2.gz OEUSDOBRRDJDAE-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1CCC[C@@H]1C[NH2+]C1CCNCC1 230666470 344638765 /nfs/dbraw/zinc/63/87/65/344638765.db2.gz GQNUMAHDHHBZGJ-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@]1([NH2+]C2CCCCC2)CCNC1 230741467 344642005 /nfs/dbraw/zinc/64/20/05/344642005.db2.gz VKYAWEWCFNKKDF-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@]1(Nc2ccncc2)CC[NH2+]C1 230748471 344642010 /nfs/dbraw/zinc/64/20/10/344642010.db2.gz CSNUOZKCQDTVLV-JTQLQIEISA-N 1 3 177.251 1.246 10 0 ADAEHO CC[C@@H](C)[NH2+][C@@]1(C)CCNC1 230740218 344642015 /nfs/dbraw/zinc/64/20/15/344642015.db2.gz HXJBPNBFXUEOPL-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CC1=CCC[N@@H+]([C@H](C)CCN)C1 230880948 344644459 /nfs/dbraw/zinc/64/44/59/344644459.db2.gz JAMLHFBBDMXCHC-SNVBAGLBSA-N 1 3 168.284 1.376 10 0 ADAEHO CNC[C@]1(C)CC[N@H+](C2CCCC2)C1 230904070 344644715 /nfs/dbraw/zinc/64/47/15/344644715.db2.gz NDHGBBUKSXAXJC-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1CC([N@H+]2CCC[C@@H](CN)C2)C1 231423288 344653157 /nfs/dbraw/zinc/65/31/57/344653157.db2.gz WDJIRUFFVJOFKY-YVNMAJEFSA-N 1 3 182.311 1.456 10 0 ADAEHO C/C=C/C[N@H+]1CCNCC[C@@H]1C 232485449 344680062 /nfs/dbraw/zinc/68/00/62/344680062.db2.gz RPFSZDYDRJZIPU-FSIBCCDJSA-N 1 3 168.284 1.246 10 0 ADAEHO CC(C)C1CN([C@H]2CC[NH2+][C@H](C)C2)C1 232547451 344681931 /nfs/dbraw/zinc/68/19/31/344681931.db2.gz MPJBXPVZGQWAKW-PWSUYJOCSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1C[NH+]([C@H]2CCN[C@H](C)C2)C1 232547451 344681932 /nfs/dbraw/zinc/68/19/32/344681932.db2.gz MPJBXPVZGQWAKW-PWSUYJOCSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1CN([C@H]2CC[NH2+][C@@H](C)C2)C1 232547450 344681946 /nfs/dbraw/zinc/68/19/46/344681946.db2.gz MPJBXPVZGQWAKW-JQWIXIFHSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1C[NH+]([C@H]2CCN[C@@H](C)C2)C1 232547450 344681947 /nfs/dbraw/zinc/68/19/47/344681947.db2.gz MPJBXPVZGQWAKW-JQWIXIFHSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1CN([C@@H]2CC[NH2+][C@@H](C)C2)C1 232547430 344681985 /nfs/dbraw/zinc/68/19/85/344681985.db2.gz MPJBXPVZGQWAKW-CMPLNLGQSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1C[NH+]([C@@H]2CCN[C@@H](C)C2)C1 232547430 344681986 /nfs/dbraw/zinc/68/19/86/344681986.db2.gz MPJBXPVZGQWAKW-CMPLNLGQSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1CN([C@@H]2CC[NH2+][C@H](C)C2)C1 232547431 344682012 /nfs/dbraw/zinc/68/20/12/344682012.db2.gz MPJBXPVZGQWAKW-ZYHUDNBSSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C1C[NH+]([C@@H]2CCN[C@H](C)C2)C1 232547431 344682013 /nfs/dbraw/zinc/68/20/13/344682013.db2.gz MPJBXPVZGQWAKW-ZYHUDNBSSA-N 1 3 196.338 1.715 10 0 ADAEHO CC1CC(N2C[C@H](C)[C@@H]([NH3+])C2)C1 232820201 344692857 /nfs/dbraw/zinc/69/28/57/344692857.db2.gz TZEUCUYTKOVSET-LRHRNSLUSA-N 1 3 168.284 1.064 10 0 ADAEHO CC1(C)C[C@@H]1C[NH2+]C1CCNCC1 232908692 344696875 /nfs/dbraw/zinc/69/68/75/344696875.db2.gz SKLYDNWJQVETTM-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCC1CN([C@H]2CC[NH2+][C@H](C)C2)C1 232905509 344696888 /nfs/dbraw/zinc/69/68/88/344696888.db2.gz NJCXVSYANZRKRC-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCN[C@H](C)C2)C1 232905509 344696889 /nfs/dbraw/zinc/69/68/89/344696889.db2.gz NJCXVSYANZRKRC-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC1CN([C@H]2CC[NH2+][C@@H](C)C2)C1 232933132 344697444 /nfs/dbraw/zinc/69/74/44/344697444.db2.gz MHFQMGNAFCOFHM-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1C[NH+]([C@H]2CCN[C@@H](C)C2)C1 232933132 344697445 /nfs/dbraw/zinc/69/74/45/344697445.db2.gz MHFQMGNAFCOFHM-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1CN([C@@H]2CC[NH2+][C@@H](C)C2)C1 232932881 344697447 /nfs/dbraw/zinc/69/74/47/344697447.db2.gz MHFQMGNAFCOFHM-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCN[C@@H](C)C2)C1 232932881 344697448 /nfs/dbraw/zinc/69/74/48/344697448.db2.gz MHFQMGNAFCOFHM-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1CN([C@H]2CC[NH2+][C@H](C)C2)C1 232933177 344697540 /nfs/dbraw/zinc/69/75/40/344697540.db2.gz MHFQMGNAFCOFHM-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1C[NH+]([C@H]2CCN[C@H](C)C2)C1 232933177 344697543 /nfs/dbraw/zinc/69/75/43/344697543.db2.gz MHFQMGNAFCOFHM-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CCCCN1C[C@@H](C)[C@@H]([NH3+])C1 232963224 344698082 /nfs/dbraw/zinc/69/80/82/344698082.db2.gz HTMOSHHXOXADSI-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 233445438 344702186 /nfs/dbraw/zinc/70/21/86/344702186.db2.gz OPRBCTKFOSAGBN-DHHPTOIESA-N 1 3 194.322 1.754 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])[C@@H](C)C1 233929827 344707608 /nfs/dbraw/zinc/70/76/08/344707608.db2.gz IPRQJPVFWVUSRH-ZDCRXTMVSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CCC[NH2+][C@@H](C)C1 233929404 344707692 /nfs/dbraw/zinc/70/76/92/344707692.db2.gz KWUDLVQYXCQWTA-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[NH2+]C[C@@H](C)C1 233929584 344707722 /nfs/dbraw/zinc/70/77/22/344707722.db2.gz DUKBWIYYCWRUIC-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@@H+]1CCC[C@@H](N)C1 233934751 344708070 /nfs/dbraw/zinc/70/80/70/344708070.db2.gz APMLQCNRHSNHID-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@H+]1CCC[C@@H](N)C1 233934751 344708071 /nfs/dbraw/zinc/70/80/71/344708071.db2.gz APMLQCNRHSNHID-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1C[C@@H]1N1CCC[NH2+]CCC1 234062643 344711493 /nfs/dbraw/zinc/71/14/93/344711493.db2.gz JJNGAJHOVFJEDG-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1C[C@@H]1[NH+]1CCCNCCC1 234062643 344711494 /nfs/dbraw/zinc/71/14/94/344711494.db2.gz JJNGAJHOVFJEDG-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2(C)CC2)[C@@H](C)C1 234449154 344720860 /nfs/dbraw/zinc/72/08/60/344720860.db2.gz LPXLMKAJQBBPJZ-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)=CC[N@H+]1CCNCC[C@H]1C 235297092 344741761 /nfs/dbraw/zinc/74/17/61/344741761.db2.gz GCTJTOOCMNPADE-LLVKDONJSA-N 1 3 182.311 1.636 10 0 ADAEHO CC(C)=CC[N@@H+]1CCNCC[C@H]1C 235297092 344741762 /nfs/dbraw/zinc/74/17/62/344741762.db2.gz GCTJTOOCMNPADE-LLVKDONJSA-N 1 3 182.311 1.636 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(C)CCC2)CC[C@@H]1N 235352400 344745513 /nfs/dbraw/zinc/74/55/13/344745513.db2.gz MOGLZXNTTHABGM-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1N 235352400 344745514 /nfs/dbraw/zinc/74/55/14/344745514.db2.gz MOGLZXNTTHABGM-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CN(CC2(C)CCC2)CC[C@@H]1[NH3+] 235352400 344745515 /nfs/dbraw/zinc/74/55/15/344745515.db2.gz MOGLZXNTTHABGM-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CN(CCC2CC2)C[C@@H]1[NH3+] 235360932 344746087 /nfs/dbraw/zinc/74/60/87/344746087.db2.gz ANUIIYMVUBAMCJ-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1C1CC1 235264524 344738944 /nfs/dbraw/zinc/73/89/44/344738944.db2.gz ZASVNSWPUPMVHV-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH3+])CN1C1CC1 235264524 344738946 /nfs/dbraw/zinc/73/89/46/344738946.db2.gz ZASVNSWPUPMVHV-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](CC2(C)CC2)[C@@H]1C 235447775 344750051 /nfs/dbraw/zinc/75/00/51/344750051.db2.gz LHEUWESPXONTDB-AXFHLTTASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@@H+](CC2(C)CC2)[C@@H]1C 235469390 344750986 /nfs/dbraw/zinc/75/09/86/344750986.db2.gz LHEUWESPXONTDB-HBNTYKKESA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@H+](CC2(C)CC2)[C@@H]1C 235469390 344750987 /nfs/dbraw/zinc/75/09/87/344750987.db2.gz LHEUWESPXONTDB-HBNTYKKESA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN(CC2(C)CC2)[C@@H]1C 235469390 344750988 /nfs/dbraw/zinc/75/09/88/344750988.db2.gz LHEUWESPXONTDB-HBNTYKKESA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)=CC[N@@H+]1CCCN[C@@H](C)C1 235579948 344757058 /nfs/dbraw/zinc/75/70/58/344757058.db2.gz UBNKOXMKKJSXNU-NSHDSACASA-N 1 3 182.311 1.636 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1C1CC1 235597258 344758319 /nfs/dbraw/zinc/75/83/19/344758319.db2.gz ZASVNSWPUPMVHV-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCC[NH2+][C@H]1CNC1CCCC1 235594417 344758372 /nfs/dbraw/zinc/75/83/72/344758372.db2.gz VOUYBDNBEFFREF-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1(C)CC1 235683144 344762944 /nfs/dbraw/zinc/76/29/44/344762944.db2.gz QUDSQTFMQJAQBW-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@]1(NCC2([NH3+])CCC2)CCCOC1 235726687 344764974 /nfs/dbraw/zinc/76/49/74/344764974.db2.gz YQDPMFJMXRTXLG-JTQLQIEISA-N 1 3 198.310 1.027 10 0 ADAEHO CC(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238153420 344794149 /nfs/dbraw/zinc/79/41/49/344794149.db2.gz WYUAHOLALRZJFC-RTCCRHLQSA-N 1 3 182.311 1.597 10 0 ADAEHO C[N@@H+]1CCc2cccc3c2[C@@H]1C[C@H]3N 248027483 344827487 /nfs/dbraw/zinc/82/74/87/344827487.db2.gz MOWNEHUHHXNLML-MNOVXSKESA-N 1 3 188.274 1.619 10 0 ADAEHO CCN(C)C[C@H]1CCCC[C@H]1[NH3+] 250103808 344830003 /nfs/dbraw/zinc/83/00/03/344830003.db2.gz ZXIJBRDSYKKKNK-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(C)C[C@@H]1CCC[C@H]1[NH3+] 250080208 344830020 /nfs/dbraw/zinc/83/00/20/344830020.db2.gz UGAVWULJOSYEJJ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)C[C@H]1CCC[C@H]1[NH3+] 250080215 344830029 /nfs/dbraw/zinc/83/00/29/344830029.db2.gz UGAVWULJOSYEJJ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+](C)[C@H]1CCC[C@H]1CN 250083696 344830037 /nfs/dbraw/zinc/83/00/37/344830037.db2.gz VBBOXWWWMNSAHV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCC[C@H]1CN 250083696 344830038 /nfs/dbraw/zinc/83/00/38/344830038.db2.gz VBBOXWWWMNSAHV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)[C@H]1CCC[C@H]1C[NH3+] 250083696 344830039 /nfs/dbraw/zinc/83/00/39/344830039.db2.gz VBBOXWWWMNSAHV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+]1CCCC[C@H]1C[C@H](C)N 250267481 344831667 /nfs/dbraw/zinc/83/16/67/344831667.db2.gz KQXSARUBYWMAPH-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+]1CCCC[C@H]1C[C@H](C)N 250267481 344831668 /nfs/dbraw/zinc/83/16/68/344831668.db2.gz KQXSARUBYWMAPH-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN1CCCC[C@H]1C[C@H](C)[NH3+] 250267481 344831669 /nfs/dbraw/zinc/83/16/69/344831669.db2.gz KQXSARUBYWMAPH-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@@H+]1C[C@H](CN)CC[C@H]1C 250262579 344831708 /nfs/dbraw/zinc/83/17/08/344831708.db2.gz JZFHWDHUHGGENU-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1C[C@H](CN)CC[C@H]1C 250262579 344831709 /nfs/dbraw/zinc/83/17/09/344831709.db2.gz JZFHWDHUHGGENU-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN1C[C@H](C[NH3+])CC[C@H]1C 250262579 344831710 /nfs/dbraw/zinc/83/17/10/344831710.db2.gz JZFHWDHUHGGENU-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+]1C[C@@H](CN)CC[C@H]1C 250262581 344831717 /nfs/dbraw/zinc/83/17/17/344831717.db2.gz JZFHWDHUHGGENU-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1C[C@@H](CN)CC[C@H]1C 250262581 344831718 /nfs/dbraw/zinc/83/17/18/344831718.db2.gz JZFHWDHUHGGENU-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN1C[C@@H](C[NH3+])CC[C@H]1C 250262581 344831719 /nfs/dbraw/zinc/83/17/19/344831719.db2.gz JZFHWDHUHGGENU-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C[C@H]1CCC[C@H]1[NH3+])C1CC1 250492863 344834603 /nfs/dbraw/zinc/83/46/03/344834603.db2.gz YLFRQRZEKCFGNL-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C[C@@H]1CCC[C@H]1[NH3+])C1CC1 250492865 344834606 /nfs/dbraw/zinc/83/46/06/344834606.db2.gz YLFRQRZEKCFGNL-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCCC[C@H]1N 250352414 344832353 /nfs/dbraw/zinc/83/23/53/344832353.db2.gz AVRXTXXXPHJLHM-ZJUUUORDSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1N 250352414 344832354 /nfs/dbraw/zinc/83/23/54/344832354.db2.gz AVRXTXXXPHJLHM-ZJUUUORDSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCCCC[C@H]1CN 250361294 344832365 /nfs/dbraw/zinc/83/23/65/344832365.db2.gz DRCXNAONTCWKSF-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1CN 250361294 344832366 /nfs/dbraw/zinc/83/23/66/344832366.db2.gz DRCXNAONTCWKSF-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(C1CC1)[C@@H]1CCCCC[C@H]1C[NH3+] 250361294 344832367 /nfs/dbraw/zinc/83/23/67/344832367.db2.gz DRCXNAONTCWKSF-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(C[C@@H]1CCCCC[C@H]1[NH3+])C1CC1 250368508 344832866 /nfs/dbraw/zinc/83/28/66/344832866.db2.gz GPUVRPVHPAWLRE-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCC[C@H]1CN 250378912 344833435 /nfs/dbraw/zinc/83/34/35/344833435.db2.gz IUZNJUSOBCVBJT-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCC[C@H]1CN 250378912 344833436 /nfs/dbraw/zinc/83/34/36/344833436.db2.gz IUZNJUSOBCVBJT-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CC1)[C@H]1CCC[C@H]1C[NH3+] 250378912 344833437 /nfs/dbraw/zinc/83/34/37/344833437.db2.gz IUZNJUSOBCVBJT-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@@H]1CC[C@H]1CN 250407431 344833472 /nfs/dbraw/zinc/83/34/72/344833472.db2.gz NGJJRQNTYFQUBE-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](C1CCCC1)[C@@H]1CC[C@H]1CN 250407431 344833473 /nfs/dbraw/zinc/83/34/73/344833473.db2.gz NGJJRQNTYFQUBE-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C[C@@H]1CCCC[C@H]1[NH3+])C1CC1 250422696 344833641 /nfs/dbraw/zinc/83/36/41/344833641.db2.gz PNQJONKXUZRGAF-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCCCC1)[C@@H]1CC[C@H]1CN 250418512 344833942 /nfs/dbraw/zinc/83/39/42/344833942.db2.gz OWJQITUVEYOAHD-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCCCC1)[C@@H]1CC[C@H]1CN 250418512 344833943 /nfs/dbraw/zinc/83/39/43/344833943.db2.gz OWJQITUVEYOAHD-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]1CN 250418515 344833980 /nfs/dbraw/zinc/83/39/80/344833980.db2.gz OWJQITUVEYOAHD-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCCCC1)[C@H]1CC[C@H]1CN 250418515 344833981 /nfs/dbraw/zinc/83/39/81/344833981.db2.gz OWJQITUVEYOAHD-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 250532891 344835966 /nfs/dbraw/zinc/83/59/66/344835966.db2.gz XRZOARASXXZSEJ-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1[C@@H](N)C1CCC1 250580284 344836571 /nfs/dbraw/zinc/83/65/71/344836571.db2.gz FYESJIOKTHTGNO-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1[C@@H](N)C1CCC1 250580284 344836572 /nfs/dbraw/zinc/83/65/72/344836572.db2.gz FYESJIOKTHTGNO-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1[C@@H](N)C1CCC1 250580288 344836580 /nfs/dbraw/zinc/83/65/80/344836580.db2.gz FYESJIOKTHTGNO-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]1CCCC[C@H]1[C@@H](N)C1CCC1 250580288 344836581 /nfs/dbraw/zinc/83/65/81/344836581.db2.gz FYESJIOKTHTGNO-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO NC1CC[NH+]([C@@H]2CC[C@@H]3C[C@@H]32)CC1 250644618 344838398 /nfs/dbraw/zinc/83/83/98/344838398.db2.gz JBOOAXXVLZLPGU-DVVUODLYSA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+]C1CCN([C@@H]2CC[C@@H]3C[C@@H]32)CC1 250644618 344838399 /nfs/dbraw/zinc/83/83/99/344838399.db2.gz JBOOAXXVLZLPGU-DVVUODLYSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 250656507 344838947 /nfs/dbraw/zinc/83/89/47/344838947.db2.gz OCBBZIATXMGLBY-UKKRHICBSA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 250656507 344838948 /nfs/dbraw/zinc/83/89/48/344838948.db2.gz OCBBZIATXMGLBY-UKKRHICBSA-N 1 3 180.295 1.066 10 0 ADAEHO CC1(C)CC[N@H+](C[C@@H]2CCC[C@H]2N)C1 250787379 344841091 /nfs/dbraw/zinc/84/10/91/344841091.db2.gz GUEXCTBRJBAYBV-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[N@@H+](C[C@@H]2CCC[C@H]2N)C1 250787379 344841092 /nfs/dbraw/zinc/84/10/92/344841092.db2.gz GUEXCTBRJBAYBV-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]([NH3+])CN1CCC[C@H]1C 251050545 344845225 /nfs/dbraw/zinc/84/52/25/344845225.db2.gz FZLOVXQQBLYGIC-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H]([NH3+])CN1CCC[C@H]1C 251050542 344845295 /nfs/dbraw/zinc/84/52/95/344845295.db2.gz FZLOVXQQBLYGIC-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 250834023 344841885 /nfs/dbraw/zinc/84/18/85/344841885.db2.gz KEZZTJKRPPSKDM-IVZWLZJFSA-N 1 3 168.284 1.256 10 0 ADAEHO N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 250834024 344841893 /nfs/dbraw/zinc/84/18/93/344841893.db2.gz KEZZTJKRPPSKDM-OPRDCNLKSA-N 1 3 168.284 1.256 10 0 ADAEHO CC[C@@]1([NH3+])CCN(C)[C@@H](C)C1 251296753 344851500 /nfs/dbraw/zinc/85/15/00/344851500.db2.gz SNJNRLIZUFHXDJ-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](CN)[N@@H+]1CCSC[C@H]1C 251065179 344845839 /nfs/dbraw/zinc/84/58/39/344845839.db2.gz IPWWIUPHHDSVKE-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](CN)[N@H+]1CCSC[C@H]1C 251065179 344845841 /nfs/dbraw/zinc/84/58/41/344845841.db2.gz IPWWIUPHHDSVKE-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@H]1C 251557846 344857810 /nfs/dbraw/zinc/85/78/10/344857810.db2.gz AEXDHIJZAKJVHU-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](N)C2)C1 251582089 344859362 /nfs/dbraw/zinc/85/93/62/344859362.db2.gz BAXRGMISMFSZEX-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[N@@H+](CC(C)(C)[C@H](C)N)C1 251613522 344861312 /nfs/dbraw/zinc/86/13/12/344861312.db2.gz HBAFCCBRZCFVTR-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CN(c2ccncc2)CC[C@H]1[NH3+] 251690775 344866664 /nfs/dbraw/zinc/86/66/64/344866664.db2.gz IHPKGEAYDVRGMK-GXSJLCMTSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCC[C@H]1CN 251744712 344870025 /nfs/dbraw/zinc/87/00/25/344870025.db2.gz RSFNIHXDGOHKNX-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CC[C@@H](C)C1 251794010 344873929 /nfs/dbraw/zinc/87/39/29/344873929.db2.gz XHLQFFYAZLVRJW-GMTAPVOTSA-N 1 3 182.311 1.184 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@H]2C[C@@H]2C)CCCN1 251805791 344874513 /nfs/dbraw/zinc/87/45/13/344874513.db2.gz OIDFWMVJWUVDBM-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@H]2C[C@@H]2C)CCCN1 251805791 344874514 /nfs/dbraw/zinc/87/45/14/344874514.db2.gz OIDFWMVJWUVDBM-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](C)C2)CN1 251807113 344874750 /nfs/dbraw/zinc/87/47/50/344874750.db2.gz YLLAKCSMWLWGRQ-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH2+]C)[C@H](C)C1 251861669 344877478 /nfs/dbraw/zinc/87/74/78/344877478.db2.gz OMQUEIYVGGIWGW-OUAUKWLOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@H]1N 251872431 344877734 /nfs/dbraw/zinc/87/77/34/344877734.db2.gz UMQIOXROCRYAFE-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H](C)C(C)C)C[C@@H]1C 251868786 344877758 /nfs/dbraw/zinc/87/77/58/344877758.db2.gz TWBJISYWKAXJSW-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H]1N 251872432 344878287 /nfs/dbraw/zinc/87/82/87/344878287.db2.gz UMQIOXROCRYAFE-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2CN)C[C@@H]1C 251884497 344878831 /nfs/dbraw/zinc/87/88/31/344878831.db2.gz VBNFOCFYTGWJGW-ZRUFSTJUSA-N 1 3 182.311 1.312 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H]1CN 251463868 344854594 /nfs/dbraw/zinc/85/45/94/344854594.db2.gz ZISIQOGUHNKFCT-SRVKXCTJSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]1CN 251463868 344854595 /nfs/dbraw/zinc/85/45/95/344854595.db2.gz ZISIQOGUHNKFCT-SRVKXCTJSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CN([C@H](C)CC2CC2)CC[C@@H]1[NH3+] 251933293 344881658 /nfs/dbraw/zinc/88/16/58/344881658.db2.gz YYAAGNNUPHMJBO-FOGDFJRCSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[N@H+](C2CCCC2)CC[C@H]1N 251936476 344881792 /nfs/dbraw/zinc/88/17/92/344881792.db2.gz ZFQWODGNHWQPMN-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CN(C2CCCC2)CC[C@H]1[NH3+] 251936476 344881794 /nfs/dbraw/zinc/88/17/94/344881794.db2.gz ZFQWODGNHWQPMN-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H]1CN 252087900 344883963 /nfs/dbraw/zinc/88/39/63/344883963.db2.gz DBWXWRHFNPMSKF-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]1CN 252087900 344883964 /nfs/dbraw/zinc/88/39/64/344883964.db2.gz DBWXWRHFNPMSKF-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H]1CN 252087902 344884000 /nfs/dbraw/zinc/88/40/00/344884000.db2.gz DBWXWRHFNPMSKF-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]1CN 252087902 344884001 /nfs/dbraw/zinc/88/40/01/344884001.db2.gz DBWXWRHFNPMSKF-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H](N)C1 252087200 344884009 /nfs/dbraw/zinc/88/40/09/344884009.db2.gz DACRJYICGKVFAC-VWYCJHECSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H](N)C1 252087200 344884010 /nfs/dbraw/zinc/88/40/10/344884010.db2.gz DACRJYICGKVFAC-VWYCJHECSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]1CN 252087903 344884042 /nfs/dbraw/zinc/88/40/42/344884042.db2.gz DBWXWRHFNPMSKF-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@@H](C)C[C@H]1C 252113117 344885920 /nfs/dbraw/zinc/88/59/20/344885920.db2.gz IBEFWPFWUHDZGZ-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCCN1CC[C@H]1CCC[NH2+]1 252119553 344886691 /nfs/dbraw/zinc/88/66/91/344886691.db2.gz JCKDLCRNTDPXJJ-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCCN(CC[C@H]2CCC[NH2+]2)C1 252129367 344887035 /nfs/dbraw/zinc/88/70/35/344887035.db2.gz KNHNLHMRNRBIAV-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCCC[C@@H]1N 252140057 344887661 /nfs/dbraw/zinc/88/76/61/344887661.db2.gz NBNJACLPDWYAHZ-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@H]1CCCCC[C@@H]1[NH3+] 252140057 344887662 /nfs/dbraw/zinc/88/76/62/344887662.db2.gz NBNJACLPDWYAHZ-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CCNC[C@H]1C 252199450 344891256 /nfs/dbraw/zinc/89/12/56/344891256.db2.gz SYUREGQFKVHFSF-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CCNC[C@H]1C 252199450 344891257 /nfs/dbraw/zinc/89/12/57/344891257.db2.gz SYUREGQFKVHFSF-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CCCCNC1 252201462 344891640 /nfs/dbraw/zinc/89/16/40/344891640.db2.gz UDTIVMBDRHKWKD-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H]1CC[C@@H](N)C1 251915045 344879916 /nfs/dbraw/zinc/87/99/16/344879916.db2.gz UHKYQRBDRHBAKC-KXNHARMFSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)=CCN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252551977 344901898 /nfs/dbraw/zinc/90/18/98/344901898.db2.gz CBUUNHSKEFHPIN-WOPDTQHZSA-N 1 3 194.322 1.492 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN([C@H]2C[C@H]2C)[C@@H]1C 252600335 344904373 /nfs/dbraw/zinc/90/43/73/344904373.db2.gz LMKVHSGKDDEVTR-APLZJWDSSA-N 1 3 182.311 1.452 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252611621 344904612 /nfs/dbraw/zinc/90/46/12/344904612.db2.gz VRCIKRSZLIFJRZ-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252611621 344904614 /nfs/dbraw/zinc/90/46/14/344904614.db2.gz VRCIKRSZLIFJRZ-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252611621 344904616 /nfs/dbraw/zinc/90/46/16/344904616.db2.gz VRCIKRSZLIFJRZ-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252609444 344904807 /nfs/dbraw/zinc/90/48/07/344904807.db2.gz TXBVJMQYSIGRPT-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CC[C@@H](C)C1 252615785 344905483 /nfs/dbraw/zinc/90/54/83/344905483.db2.gz ZHTQLWPGHBJLIO-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H](CN)C[NH+]1[C@H](C)CCC[C@H]1C 252434605 344896013 /nfs/dbraw/zinc/89/60/13/344896013.db2.gz RQTOQUIJAVNPJT-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO C1C[C@@H]2CN([C@H]3CC[NH2+]C3)C[C@H]2C1 252707522 344909767 /nfs/dbraw/zinc/90/97/67/344909767.db2.gz XIYLKSGUKJQSBM-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2C[NH+]([C@H]3CCNC3)C[C@H]2C1 252707522 344909768 /nfs/dbraw/zinc/90/97/68/344909768.db2.gz XIYLKSGUKJQSBM-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@H+]2CCC[C@@H]2C)C1 252719594 344910374 /nfs/dbraw/zinc/91/03/74/344910374.db2.gz IJIIMZHUCBOADZ-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@@H+]2CCC[C@@H]2C)C1 252719594 344910375 /nfs/dbraw/zinc/91/03/75/344910375.db2.gz IJIIMZHUCBOADZ-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[C@@H](N2CC[C@H]([NH3+])C2)C[C@H]1C 252688595 344908364 /nfs/dbraw/zinc/90/83/64/344908364.db2.gz OTSJBYNORMRUEK-WISYIIOYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@@H+]1C1(C)CC1 252970481 344923597 /nfs/dbraw/zinc/92/35/97/344923597.db2.gz ZPRQAQWZHLXHHK-LPEHRKFASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@H+]1C1(C)CC1 252970481 344923598 /nfs/dbraw/zinc/92/35/98/344923598.db2.gz ZPRQAQWZHLXHHK-LPEHRKFASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1C1(C)CC1 252970481 344923599 /nfs/dbraw/zinc/92/35/99/344923599.db2.gz ZPRQAQWZHLXHHK-LPEHRKFASA-N 1 3 182.311 1.597 10 0 ADAEHO CC1CC([N@H+]2CC[C@@H](N)C[C@H]2C)C1 252909875 344918727 /nfs/dbraw/zinc/91/87/27/344918727.db2.gz BGUAISCPDMZYII-WYNUPADASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CC=CC2)CC[C@H]1N 252916062 344919554 /nfs/dbraw/zinc/91/95/54/344919554.db2.gz UXNNDYPHGJWZHO-MWLCHTKSSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1CN(C2(C)CC2)CC[C@H]1[NH3+] 252937220 344920168 /nfs/dbraw/zinc/92/01/68/344920168.db2.gz GRFYEDWQGDCPAY-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C2CC(N)C2)CC1 253135268 344928326 /nfs/dbraw/zinc/92/83/26/344928326.db2.gz REBBQZJKAUCRMX-RSIPAPEOSA-N 1 3 182.311 1.644 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]3C[C@@H]32)C1 253619120 344935040 /nfs/dbraw/zinc/93/50/40/344935040.db2.gz FXSUQZIMRAJGSN-WHOHXGKFSA-N 1 3 194.322 1.456 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]3C[C@H]32)C1 253619119 344935117 /nfs/dbraw/zinc/93/51/17/344935117.db2.gz FXSUQZIMRAJGSN-NNYUYHANSA-N 1 3 194.322 1.456 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1CC[C@H]1CN 253078589 344926741 /nfs/dbraw/zinc/92/67/41/344926741.db2.gz TWDOYXDZYQLFBC-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@H]1CN 253078589 344926742 /nfs/dbraw/zinc/92/67/42/344926742.db2.gz TWDOYXDZYQLFBC-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@@H]1CN 253078590 344926845 /nfs/dbraw/zinc/92/68/45/344926845.db2.gz TWDOYXDZYQLFBC-YTWAJWBKSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@H]1CN(C2CC2)CC[C@H]1[NH3+] 300035774 344963813 /nfs/dbraw/zinc/96/38/13/344963813.db2.gz LNOLTVJLCXQBKL-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H](CN2CC[C@H]([NH3+])C2)C1 300240643 344972862 /nfs/dbraw/zinc/97/28/62/344972862.db2.gz FHTLMYJNDICGLB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])[C@H](C)C1 300375762 344979087 /nfs/dbraw/zinc/97/90/87/344979087.db2.gz DFDCXCPJZNDZCM-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]CC2CNC2)CC1 300381434 344979437 /nfs/dbraw/zinc/97/94/37/344979437.db2.gz VHCSHDQWEAZTNG-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[N@H+](C)[C@H]1CCNCC1(C)C 300740125 344985451 /nfs/dbraw/zinc/98/54/51/344985451.db2.gz AFWISVQGKHLRPY-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCNCC1(C)C 300740125 344985452 /nfs/dbraw/zinc/98/54/52/344985452.db2.gz AFWISVQGKHLRPY-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CCN(C)[C@H]1CC[NH2+]CC1(C)C 300740125 344985454 /nfs/dbraw/zinc/98/54/54/344985454.db2.gz AFWISVQGKHLRPY-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCNCC1(C)C 300825450 345002956 /nfs/dbraw/zinc/00/29/56/345002956.db2.gz JMEKRUCZOVINRJ-UTLUCORTSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CC[NH2+]CC1(C)C 300825450 345002957 /nfs/dbraw/zinc/00/29/57/345002957.db2.gz JMEKRUCZOVINRJ-UTLUCORTSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCNCC1(C)C 300825448 345002967 /nfs/dbraw/zinc/00/29/67/345002967.db2.gz JMEKRUCZOVINRJ-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CC[NH2+]CC1(C)C 300825448 345002968 /nfs/dbraw/zinc/00/29/68/345002968.db2.gz JMEKRUCZOVINRJ-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+][C@H]1CCNCC1(C)C 300825444 345003020 /nfs/dbraw/zinc/00/30/20/345003020.db2.gz JMEKRUCZOVINRJ-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CC[NH2+]CC1(C)C 300825444 345003021 /nfs/dbraw/zinc/00/30/21/345003021.db2.gz JMEKRUCZOVINRJ-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCNCC1(C)C 300825446 345003056 /nfs/dbraw/zinc/00/30/56/345003056.db2.gz JMEKRUCZOVINRJ-KXUCPTDWSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[NH2+]CC1(C)C 300825446 345003057 /nfs/dbraw/zinc/00/30/57/345003057.db2.gz JMEKRUCZOVINRJ-KXUCPTDWSA-N 1 3 182.311 1.373 10 0 ADAEHO CCN(C1CC1)[C@H]1CC[NH2+]CC1(C)C 300908756 345011863 /nfs/dbraw/zinc/01/18/63/345011863.db2.gz XAOZVWGIFBPBBR-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CCNC[C@H]1C 306171327 345062790 /nfs/dbraw/zinc/06/27/90/345062790.db2.gz ZRXZOYIWWOXDLT-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H](N)C[N@@H+]1CC(C)(C)C1(C)C 306193980 345083596 /nfs/dbraw/zinc/08/35/96/345083596.db2.gz CZAVZKBDQGDWMV-QMMMGPOBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[N@H+]1CC(C)(C)C1(C)C 306193980 345083597 /nfs/dbraw/zinc/08/35/97/345083597.db2.gz CZAVZKBDQGDWMV-QMMMGPOBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+][C@H]1CC[C@H]1C 306191729 345081934 /nfs/dbraw/zinc/08/19/34/345081934.db2.gz IJJYKPAEFQOXNS-VPOLOUISSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)(N)C[N@@H+]1CC(C)(C)C1(C)C 306216981 345108821 /nfs/dbraw/zinc/10/88/21/345108821.db2.gz JQSPZXKQBQRQRN-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)(N)C[N@H+]1CC(C)(C)C1(C)C 306216981 345108822 /nfs/dbraw/zinc/10/88/22/345108822.db2.gz JQSPZXKQBQRQRN-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C1CN([C@H](C)[C@H]2CC[NH2+]C2)C1 306236601 345129173 /nfs/dbraw/zinc/12/91/73/345129173.db2.gz HVUNQUXEPIHJAU-MNOVXSKESA-N 1 3 196.338 1.572 10 0 ADAEHO CCC1(CC)CN([C@@H]2CC[C@@H]([NH3+])C2)C1 306247067 345138932 /nfs/dbraw/zinc/13/89/32/345138932.db2.gz RSGNYGKOCBHRRG-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@@H]([NH3+])C2)C[C@H]1C 306264577 345154902 /nfs/dbraw/zinc/15/49/02/345154902.db2.gz AMJGHWMFXVVUEQ-RGOKHQFPSA-N 1 3 168.284 1.064 10 0 ADAEHO CC[C@@](C)([C@H](C)N)[NH+]1CC(C)(C)C1 306297786 345178469 /nfs/dbraw/zinc/17/84/69/345178469.db2.gz CYHQNMAUBKUBQH-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)CC[C@@H](CN2CCC2)[C@@H]1[NH3+] 306348678 345222462 /nfs/dbraw/zinc/22/24/62/345222462.db2.gz JTAVIZVGAMVAAZ-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@H](CN2CCC2)[C@@H]1[NH3+] 306348680 345222465 /nfs/dbraw/zinc/22/24/65/345222465.db2.gz JTAVIZVGAMVAAZ-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@H](CN2CCC2)[C@H]1[NH3+] 306348677 345222468 /nfs/dbraw/zinc/22/24/68/345222468.db2.gz JTAVIZVGAMVAAZ-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@@H](CN2CCC2)[C@H]1[NH3+] 306348679 345222470 /nfs/dbraw/zinc/22/24/70/345222470.db2.gz JTAVIZVGAMVAAZ-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@H]([NH+]2CCC2)C1 306413638 345272159 /nfs/dbraw/zinc/27/21/59/345272159.db2.gz SWJMVVFFHVJHSZ-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO NC1CC([NH2+][C@@H]2[C@H]3CCCC[C@H]32)C1 306455034 345314903 /nfs/dbraw/zinc/31/49/03/345314903.db2.gz AAOKSTCSPLSNDH-AUYFUSPOSA-N 1 3 180.295 1.254 10 0 ADAEHO [NH3+]C1CC(N[C@@H]2[C@H]3CCCC[C@H]32)C1 306455034 345314904 /nfs/dbraw/zinc/31/49/04/345314904.db2.gz AAOKSTCSPLSNDH-AUYFUSPOSA-N 1 3 180.295 1.254 10 0 ADAEHO C1CCC2(CC1)C[C@@H]2[NH2+]C[C@H]1CCN1 306515659 345386682 /nfs/dbraw/zinc/38/66/82/345386682.db2.gz FBJKBHPWARYROM-MNOVXSKESA-N 1 3 194.322 1.661 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@H]2C)C[C@H]1[NH3+] 306533647 345405848 /nfs/dbraw/zinc/40/58/48/345405848.db2.gz NPVNEDJKISPIBI-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1CCC1CCCC1 306546179 345420625 /nfs/dbraw/zinc/42/06/25/345420625.db2.gz BISDDSHZWVVOMZ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]([NH3+])[C@@H]1CCN(CC2=CCCC2)C1 306561502 345437728 /nfs/dbraw/zinc/43/77/28/345437728.db2.gz BXGDONSLHICOAG-CMPLNLGQSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]([NH3+])[C@H]1CCN(CC2=CCCC2)C1 306561503 345437734 /nfs/dbraw/zinc/43/77/34/345437734.db2.gz BXGDONSLHICOAG-JQWIXIFHSA-N 1 3 194.322 1.766 10 0 ADAEHO CCC1([N@@H+]2CC[C@H](N)[C@H](C)C2)CC1 306569272 345445980 /nfs/dbraw/zinc/44/59/80/345445980.db2.gz WFQPFWGCFDXFLL-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@H]1[NH+]1CCC(N)CC1 306569206 345446010 /nfs/dbraw/zinc/44/60/10/345446010.db2.gz KRVBPVGYFSCVGZ-SNVBAGLBSA-N 1 3 182.311 1.598 10 0 ADAEHO [NH3+]C1(CN2CCC3(CCC3)C2)CC1 306562888 345438776 /nfs/dbraw/zinc/43/87/76/345438776.db2.gz UZWYQWMNOLEVOE-UHFFFAOYSA-N 1 3 180.295 1.354 10 0 ADAEHO CC[C@H]([NH3+])[C@H](C)N1CCC2(CCC2)C1 306563607 345439565 /nfs/dbraw/zinc/43/95/65/345439565.db2.gz VRAHKKBXCHHDOH-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C1=C(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 306564565 345440506 /nfs/dbraw/zinc/44/05/06/345440506.db2.gz DWKHWDHWQYHPMO-VXGBXAGGSA-N 1 3 192.306 1.248 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@@H+]1C1CCC1 306577413 345454950 /nfs/dbraw/zinc/45/49/50/345454950.db2.gz LGGBFTHJRKIULT-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@H+]1C1CCC1 306577413 345454951 /nfs/dbraw/zinc/45/49/51/345454951.db2.gz LGGBFTHJRKIULT-OUAUKWLOSA-N 1 3 196.338 1.844 10 0 ADAEHO C1C[NH2+]C[C@H](N[C@H]2C[C@@H]3C[C@@H]3C2)C1 306578164 345455359 /nfs/dbraw/zinc/45/53/59/345455359.db2.gz LWKXPXFHUPQJTE-LMLFDSFASA-N 1 3 180.295 1.127 10 0 ADAEHO C[C@H](NC1CC(C)(C)C1)[C@@H]1CC[NH2+]C1 306586346 345463295 /nfs/dbraw/zinc/46/32/95/345463295.db2.gz UCTMHSVKMAIWQL-VHSXEESVSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](N)CC[N@@H+]1C[C@H]2CCCC[C@H]2C1 306590026 345467579 /nfs/dbraw/zinc/46/75/79/345467579.db2.gz PCCGBABPXXCHRH-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N)CC[N@@H+]1C[C@H]2CCCC[C@H]2C1 306590024 345467655 /nfs/dbraw/zinc/46/76/55/345467655.db2.gz PCCGBABPXXCHRH-SDDRHHMPSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N)CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306590024 345467656 /nfs/dbraw/zinc/46/76/56/345467656.db2.gz PCCGBABPXXCHRH-SDDRHHMPSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[C@H](C)CC(C[NH3+])(N2CCC2)C1 306610245 345484534 /nfs/dbraw/zinc/48/45/34/345484534.db2.gz DYJMZUWXQGVPFB-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1N1C2CCC1CC2 306630248 345500776 /nfs/dbraw/zinc/50/07/76/345500776.db2.gz CQDYCAYJQDBQOX-LXKPXOPUSA-N 1 3 180.295 1.493 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1N1C2CCC1CC2 306630246 345500931 /nfs/dbraw/zinc/50/09/31/345500931.db2.gz CQDYCAYJQDBQOX-JPPWEJMLSA-N 1 3 180.295 1.493 10 0 ADAEHO CCN1CCC(NC(C)=[NH2+])CC1 306656228 345521972 /nfs/dbraw/zinc/52/19/72/345521972.db2.gz JCBJWCCIALZUED-UHFFFAOYSA-N 1 3 169.272 1.057 10 0 ADAEHO N[C@H]1CCC[C@]12CC[N@@H+](CC1CC1)C2 306677128 345539242 /nfs/dbraw/zinc/53/92/42/345539242.db2.gz YGUQQTUYSAUEEV-NWDGAFQWSA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)C(C)(C)C 306679941 345541825 /nfs/dbraw/zinc/54/18/25/345541825.db2.gz JGACQTRULDSFTL-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CCC[N@@H+](CC2(C)CNC2)C1 306695254 345552237 /nfs/dbraw/zinc/55/22/37/345552237.db2.gz VVTHJORGUHDMLM-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO C[Si](C)(C)CN1CC2=C(C[NH2+]C2)C1 306703799 345558366 /nfs/dbraw/zinc/55/83/66/345558366.db2.gz BKDQJGLGJWAADQ-UHFFFAOYSA-N 1 3 196.370 1.079 10 0 ADAEHO C[Si](C)(C)C[NH+]1CC2=C(CNC2)C1 306703799 345558367 /nfs/dbraw/zinc/55/83/67/345558367.db2.gz BKDQJGLGJWAADQ-UHFFFAOYSA-N 1 3 196.370 1.079 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@H]1CN1CC=CC1 306708832 345562429 /nfs/dbraw/zinc/56/24/29/345562429.db2.gz PDQBWSBCWQXCJI-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO NC1CC([N@H+]2CC[C@H](C3CC3)C2)C1 306722419 345573473 /nfs/dbraw/zinc/57/34/73/345573473.db2.gz ITWDOEIWMFGRPH-WHXUTIOJSA-N 1 3 180.295 1.208 10 0 ADAEHO CC(CN1CC(C)(C)C1)=C1C[NH2+]C1 306747182 345589072 /nfs/dbraw/zinc/58/90/72/345589072.db2.gz BXWXZYCNWYHELA-UHFFFAOYSA-N 1 3 180.295 1.248 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 306812233 345630925 /nfs/dbraw/zinc/63/09/25/345630925.db2.gz YSRSBEHDMYMWJC-OOCWMUITSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 306812233 345630926 /nfs/dbraw/zinc/63/09/26/345630926.db2.gz YSRSBEHDMYMWJC-OOCWMUITSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 306812235 345630962 /nfs/dbraw/zinc/63/09/62/345630962.db2.gz YSRSBEHDMYMWJC-ROHXPCBUSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 306812235 345630963 /nfs/dbraw/zinc/63/09/63/345630963.db2.gz YSRSBEHDMYMWJC-ROHXPCBUSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 306812232 345630991 /nfs/dbraw/zinc/63/09/91/345630991.db2.gz YSRSBEHDMYMWJC-CSYMLDBXSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 306812232 345630992 /nfs/dbraw/zinc/63/09/92/345630992.db2.gz YSRSBEHDMYMWJC-CSYMLDBXSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)CC[C@@H]1N 306821896 345636722 /nfs/dbraw/zinc/63/67/22/345636722.db2.gz LWKAMGMJRGEZAM-LDMBFOFVSA-N 1 3 194.322 1.454 10 0 ADAEHO N[C@]1(C[NH3+])CCCC12CCCC2 306844606 345652981 /nfs/dbraw/zinc/65/29/81/345652981.db2.gz HNCZYVQUUXZRAM-JTQLQIEISA-N 1 3 168.284 1.387 10 0 ADAEHO C1CNC[C@@H]([NH+]2C3CCC2CC3)C1 306864469 345666857 /nfs/dbraw/zinc/66/68/57/345666857.db2.gz KLFAHEVYICWAGC-ILDUYXDCSA-N 1 3 180.295 1.365 10 0 ADAEHO C1CNC[C@H]([NH+]2C3CCC2CC3)C1 306864470 345667052 /nfs/dbraw/zinc/66/70/52/345667052.db2.gz KLFAHEVYICWAGC-VQXHTEKXSA-N 1 3 180.295 1.365 10 0 ADAEHO CC[C@](N)(C[NH3+])[C@H]1CC1(C)C 306900658 345691589 /nfs/dbraw/zinc/69/15/89/345691589.db2.gz FMYJSKPYVUJGNM-CBAPKCEASA-N 1 3 156.273 1.099 10 0 ADAEHO [NH3+]C1(CN2C3CCC2CC3)CC1 306901939 345692241 /nfs/dbraw/zinc/69/22/41/345692241.db2.gz HLDPUQHZRXOGPS-UHFFFAOYSA-N 1 3 166.268 1.105 10 0 ADAEHO CC[C@]1(C)CCN(C2CC([NH3+])C2)C1 306906970 345694206 /nfs/dbraw/zinc/69/42/06/345694206.db2.gz MYFQKOWTIWBWQK-VQXHTEKXSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](N2CCC([NH3+])CC2)[C@@H]1C 306947462 345713039 /nfs/dbraw/zinc/71/30/39/345713039.db2.gz PREBWFGTGQACNN-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH+]1CCC(N)CC1 306947463 345713424 /nfs/dbraw/zinc/71/34/24/345713424.db2.gz PREBWFGTGQACNN-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)CN([C@@H]2CC[C@@H]2C[NH3+])C1 307007061 345747951 /nfs/dbraw/zinc/74/79/51/345747951.db2.gz LMCGBTXSFNOBRL-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)CN([C@@H]2CC[C@H]2C[NH3+])C1 307007057 345747979 /nfs/dbraw/zinc/74/79/79/345747979.db2.gz LMCGBTXSFNOBRL-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N2CC3(CC3)C2)C1 307034880 345768446 /nfs/dbraw/zinc/76/84/46/345768446.db2.gz NDKCLYQHRRAZES-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H](N2CC3(CC3)C2)C1 307034879 345768463 /nfs/dbraw/zinc/76/84/63/345768463.db2.gz NDKCLYQHRRAZES-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N2CC3(CC3)C2)C1 307034877 345768474 /nfs/dbraw/zinc/76/84/74/345768474.db2.gz NDKCLYQHRRAZES-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@H]1CCC[C@H](N2CC3(CC3)C2)C1 307034878 345768487 /nfs/dbraw/zinc/76/84/87/345768487.db2.gz NDKCLYQHRRAZES-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C[C@H]2CCCN2)C1 307039476 345771954 /nfs/dbraw/zinc/77/19/54/345771954.db2.gz JTYKKAQNJIEGGU-GARJFASQSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]([C@H]1CC[NH2+]C1)N1CC[C@H]1C 307058436 345784412 /nfs/dbraw/zinc/78/44/12/345784412.db2.gz GESRSPLOXAUJLC-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H](C[NH3+])N1CCC2(CCC2)C1 307088692 345803646 /nfs/dbraw/zinc/80/36/46/345803646.db2.gz UDNWPXADNRMOKE-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@]1(CN)CC[N@@H+](C2CCC2)C1 307092723 345805877 /nfs/dbraw/zinc/80/58/77/345805877.db2.gz BODPNABCOQGEKL-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@]1(CN)CC[N@H+](C2CCC2)C1 307092723 345805878 /nfs/dbraw/zinc/80/58/78/345805878.db2.gz BODPNABCOQGEKL-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 307222380 345901703 /nfs/dbraw/zinc/90/17/03/345901703.db2.gz QSQZOXDKXOKELE-IZJGZUANSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N[C@H]1CC1(C)C 307217757 345898313 /nfs/dbraw/zinc/89/83/13/345898313.db2.gz MZCIKLNUWKHZSH-RNJXMRFFSA-N 1 3 156.273 1.110 10 0 ADAEHO [NH3+][C@@H]1CC[C@H]2CN(CCF)C[C@@H]2C1 307221842 345901026 /nfs/dbraw/zinc/90/10/26/345901026.db2.gz YEXQHWIAGSYNNA-LPEHRKFASA-N 1 3 186.274 1.015 10 0 ADAEHO C[C@@H]1[C@@H]([N@@H+]2CC[C@@H](CN)C2)C[C@H]1C 307248594 345920871 /nfs/dbraw/zinc/92/08/71/345920871.db2.gz ARPJQAQCMPDYMI-RCWTZXSCSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1NCC[C@@H]1[NH2+]C1CCCCC1 307272248 345939075 /nfs/dbraw/zinc/93/90/75/345939075.db2.gz DMNKCNCGZYYRAX-ONGXEEELSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@H]1NCC[C@H]1[NH2+]C1CCCCC1 307272247 345939104 /nfs/dbraw/zinc/93/91/04/345939104.db2.gz DMNKCNCGZYYRAX-MWLCHTKSSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]C1CCCCC1 307272245 345939124 /nfs/dbraw/zinc/93/91/24/345939124.db2.gz DMNKCNCGZYYRAX-GXSJLCMTSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@H]1NCC[C@@H]1[NH2+]C1CCCCC1 307272246 345939145 /nfs/dbraw/zinc/93/91/45/345939145.db2.gz DMNKCNCGZYYRAX-KOLCDFICSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C2CCCCC2)CN1 307277313 345942934 /nfs/dbraw/zinc/94/29/34/345942934.db2.gz RJPROTUCRAJESM-KOLCDFICSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]C2CC(N)C2)C[C@H]1C 307287608 345948826 /nfs/dbraw/zinc/94/88/26/345948826.db2.gz VDEKOEAEIWVEHE-ACLMFKJJSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1[C@@H](NC2CC([NH3+])C2)C[C@H]1C 307287608 345948827 /nfs/dbraw/zinc/94/88/27/345948827.db2.gz VDEKOEAEIWVEHE-ACLMFKJJSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 307287610 345948901 /nfs/dbraw/zinc/94/89/01/345948901.db2.gz VDEKOEAEIWVEHE-IGLXGICUSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1CNC[C@@H]1[NH2+]C1CCCC1 307297402 345954150 /nfs/dbraw/zinc/95/41/50/345954150.db2.gz UIFXNPIPKVNNMT-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CNC[C@@H]1[NH2+]C1CCCC1 307297404 345954185 /nfs/dbraw/zinc/95/41/85/345954185.db2.gz UIFXNPIPKVNNMT-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]C1CCCC1 307297401 345954216 /nfs/dbraw/zinc/95/42/16/345954216.db2.gz UIFXNPIPKVNNMT-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C)[C@@H]([NH+]2CCCC2)C[C@H]1N 307311842 345963767 /nfs/dbraw/zinc/96/37/67/345963767.db2.gz JCUGIEBHBRNSFS-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[NH+]1CCCC1 307311847 345963786 /nfs/dbraw/zinc/96/37/86/345963786.db2.gz JCUGIEBHBRNSFS-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@]1(CN2CC=CC2)CCC[C@@H]1[NH3+] 307312545 345964350 /nfs/dbraw/zinc/96/43/50/345964350.db2.gz JSPJXBIBTIVWMA-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@@]1(CN2CC=CC2)CCC[C@H]1[NH3+] 307312544 345964372 /nfs/dbraw/zinc/96/43/72/345964372.db2.gz JSPJXBIBTIVWMA-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@]1(CN2CC=CC2)CCC[C@H]1[NH3+] 307312543 345964416 /nfs/dbraw/zinc/96/44/16/345964416.db2.gz JSPJXBIBTIVWMA-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@]1(CN2CC=CC2)CCC[C@@H]1[NH3+] 307312546 345964434 /nfs/dbraw/zinc/96/44/34/345964434.db2.gz JSPJXBIBTIVWMA-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1(C)CC([N@H+]2CC[C@@H](CN)C2)C1 307317787 345967121 /nfs/dbraw/zinc/96/71/21/345967121.db2.gz PHBCEUAROLFAEO-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CNC[C@@H](C[NH+]2CCCC2)C1 307326809 345973589 /nfs/dbraw/zinc/97/35/89/345973589.db2.gz ICCZLPPDGPVNII-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1[C@@H]1CCC1(C)C 307329297 345974774 /nfs/dbraw/zinc/97/47/74/345974774.db2.gz LGZHSSREQSCMRB-OUAUKWLOSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1[C@@H]1CCC1(C)C 307329297 345974775 /nfs/dbraw/zinc/97/47/75/345974775.db2.gz LGZHSSREQSCMRB-OUAUKWLOSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CCC1(C)C 307329294 345974944 /nfs/dbraw/zinc/97/49/44/345974944.db2.gz LGZHSSREQSCMRB-GMTAPVOTSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H]2CNC[C@@H]21 307346701 345985588 /nfs/dbraw/zinc/98/55/88/345985588.db2.gz WZZVDAAGJDKAMS-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H](N)C[N@H+]1C[C@H]2CCCCC[C@H]21 307323730 345971223 /nfs/dbraw/zinc/97/12/23/345971223.db2.gz JGEKGENPXTWPOY-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N[C@@H]1CCCSC1 307357623 345992481 /nfs/dbraw/zinc/99/24/81/345992481.db2.gz WYCVPSIVEKMUHH-DJLDLDEBSA-N 1 3 188.340 1.207 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CNC2)[C@@H](C)[C@H]1C 307351335 345988035 /nfs/dbraw/zinc/98/80/35/345988035.db2.gz UIQGBYFZPBFMLY-UTLUCORTSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@H+]1[C@H]1CC[C@H]1C 307351932 345988826 /nfs/dbraw/zinc/98/88/26/345988826.db2.gz LFRMQIWVVXHCCB-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1[C@H]1CC[C@H]1C 307351932 345988827 /nfs/dbraw/zinc/98/88/27/345988827.db2.gz LFRMQIWVVXHCCB-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H](CN)C[C@H]1C 307351931 345988837 /nfs/dbraw/zinc/98/88/37/345988837.db2.gz LFRMQIWVVXHCCB-DBIOUOCHSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1C[C@@H](CN)C[C@H]1C 307351931 345988838 /nfs/dbraw/zinc/98/88/38/345988838.db2.gz LFRMQIWVVXHCCB-DBIOUOCHSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)(N)C[N@@H+]1CCC1(C)C 307352187 345988850 /nfs/dbraw/zinc/98/88/50/345988850.db2.gz BVVHZOAYGIMANB-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)(N)C[N@H+]1CCC1(C)C 307352187 345988851 /nfs/dbraw/zinc/98/88/51/345988851.db2.gz BVVHZOAYGIMANB-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CC[C@@H](NC2CCCC2)C[NH2+]1 307393170 346013569 /nfs/dbraw/zinc/01/35/69/346013569.db2.gz LTBXAQSPLMTSTJ-GXSJLCMTSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](F)c1cnccc1N 307444529 346043791 /nfs/dbraw/zinc/04/37/91/346043791.db2.gz DRWRTTUPPNGSCE-RCOVLWMOSA-N 1 3 183.230 1.269 10 0 ADAEHO CC1C[NH+]([C@@H]2C[C@H](N)C2(C)C)C1 307444431 346043971 /nfs/dbraw/zinc/04/39/71/346043971.db2.gz DJXXZVXXLMWBNV-DTWKUNHWSA-N 1 3 168.284 1.064 10 0 ADAEHO C1CC(N2CCC3(CC3)C2)CC[NH2+]1 307495947 346074684 /nfs/dbraw/zinc/07/46/84/346074684.db2.gz JUOLTEJHSZVQEC-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO C[C@@H](C1CC1)N1C[C@@H]2C[C@H](C1)C2[NH3+] 307507015 346080404 /nfs/dbraw/zinc/08/04/04/346080404.db2.gz RVLFWYDNGWQXTG-ASMZKLSYSA-N 1 3 180.295 1.064 10 0 ADAEHO C[C@H]([C@@H]1CC1(C)C)N1CC[C@@H]([NH3+])C1 307513196 346084272 /nfs/dbraw/zinc/08/42/72/346084272.db2.gz YQYHMTCHLVSKRI-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N1C[C@H]2[C@@H](C1)C2(C)C 307536113 346098110 /nfs/dbraw/zinc/09/81/10/346098110.db2.gz PJPHFEIHCMPCBZ-QCLAVDOMSA-N 1 3 182.311 1.310 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N1C[C@H]2[C@@H](C1)C2(C)C 307536111 346098120 /nfs/dbraw/zinc/09/81/20/346098120.db2.gz PJPHFEIHCMPCBZ-AATLWQCWSA-N 1 3 182.311 1.310 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 307542103 346101832 /nfs/dbraw/zinc/10/18/32/346101832.db2.gz YODWNXIKAUBCEG-DBIOUOCHSA-N 1 3 196.338 1.558 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307542103 346101833 /nfs/dbraw/zinc/10/18/33/346101833.db2.gz YODWNXIKAUBCEG-DBIOUOCHSA-N 1 3 196.338 1.558 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 307542106 346101846 /nfs/dbraw/zinc/10/18/46/346101846.db2.gz YODWNXIKAUBCEG-YTWAJWBKSA-N 1 3 196.338 1.558 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307542106 346101847 /nfs/dbraw/zinc/10/18/47/346101847.db2.gz YODWNXIKAUBCEG-YTWAJWBKSA-N 1 3 196.338 1.558 10 0 ADAEHO CCN(C)C[C@H]1C[NH2+]C[C@H](C)C1 307582269 346127269 /nfs/dbraw/zinc/12/72/69/346127269.db2.gz UPVOZAXKWFRJCX-NXEZZACHSA-N 1 3 170.300 1.184 10 0 ADAEHO CCN(C)C[C@@H]1C[NH2+]C[C@@H](C)C1 307582270 346127302 /nfs/dbraw/zinc/12/73/02/346127302.db2.gz UPVOZAXKWFRJCX-UWVGGRQHSA-N 1 3 170.300 1.184 10 0 ADAEHO C[C@H]1C[N@H+](C2CC2)C[C@]1(C)CN 307631539 346158938 /nfs/dbraw/zinc/15/89/38/346158938.db2.gz YIRTVCSZGWFMFY-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[N@H+](C2CC2)C[C@]1(C)CN 307631530 346158990 /nfs/dbraw/zinc/15/89/90/346158990.db2.gz YIRTVCSZGWFMFY-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H]2CNCC[C@H]2C1 307621101 346152270 /nfs/dbraw/zinc/15/22/70/346152270.db2.gz JPQUVZKTJUCIQC-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H]2CNCC[C@H]2C1 307621101 346152271 /nfs/dbraw/zinc/15/22/71/346152271.db2.gz JPQUVZKTJUCIQC-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H]2CCNC[C@@H]2C1 307621104 346152369 /nfs/dbraw/zinc/15/23/69/346152369.db2.gz JPQUVZKTJUCIQC-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H]2CCNC[C@H]2C1 307621100 346152546 /nfs/dbraw/zinc/15/25/46/346152546.db2.gz JPQUVZKTJUCIQC-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1CC1(C)CNC1 307676162 346177501 /nfs/dbraw/zinc/17/75/01/346177501.db2.gz HNEOWKARKCYYCE-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 307712353 346197807 /nfs/dbraw/zinc/19/78/07/346197807.db2.gz WTOCUTPSVITOFM-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC1CC(N[C@H]2C[NH2+]CC[C@@H]2C)C1 335637581 346410821 /nfs/dbraw/zinc/41/08/21/346410821.db2.gz PRYKPBNFFIKUNW-YIYTYNFBSA-N 1 3 182.311 1.373 10 0 ADAEHO C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CN1 403785307 346638930 /nfs/dbraw/zinc/63/89/30/346638930.db2.gz YYAYYURZAVYLFC-DBIOUOCHSA-N 1 3 180.295 1.127 10 0 ADAEHO C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CN1 403785308 346638942 /nfs/dbraw/zinc/63/89/42/346638942.db2.gz YYAYYURZAVYLFC-MMWGEVLESA-N 1 3 180.295 1.127 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1C[C@H](N)C12CCC2 404646776 346648135 /nfs/dbraw/zinc/64/81/35/346648135.db2.gz LULKDWGKCGFTGR-KXUCPTDWSA-N 1 3 180.295 1.351 10 0 ADAEHO N[C@@H]1C[C@@H]([NH+]2CCCC2)C12CCC2 404679877 346649042 /nfs/dbraw/zinc/64/90/42/346649042.db2.gz ZYNYAUAGAYCTSJ-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO CN(C1CC1)[C@@H]1C[C@@H]([NH3+])C12CCC2 405253972 346661768 /nfs/dbraw/zinc/66/17/68/346661768.db2.gz JOTPYDHUGAFNJG-NXEZZACHSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1C[C@H](N)C1(C)C 405289497 346663103 /nfs/dbraw/zinc/66/31/03/346663103.db2.gz XHLSSKSMKUDGEI-DTWKUNHWSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1C[C@H]([NH3+])C1(C)C 405346652 346663933 /nfs/dbraw/zinc/66/39/33/346663933.db2.gz GQQNLOKLXCKTHT-RYPBNFRJSA-N 1 3 168.284 1.110 10 0 ADAEHO CC1(C)[C@@H](NC2CCC2)C[C@H]1[NH3+] 405389958 346664800 /nfs/dbraw/zinc/66/48/00/346664800.db2.gz MAHJUPPDKGIJNB-BDAKNGLRSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 405402634 346665658 /nfs/dbraw/zinc/66/56/58/346665658.db2.gz KNSAUGMDFMOSSU-XFWSIPNHSA-N 1 3 180.295 1.254 10 0 ADAEHO [NH3+][C@@H]1C[C@@H](NC2CC2)C12CCC2 405413533 346665812 /nfs/dbraw/zinc/66/58/12/346665812.db2.gz NTJUPQBPATVLSX-RKDXNWHRSA-N 1 3 166.268 1.008 10 0 ADAEHO [NH3+][C@@H]1C[C@H](NC2CCC2)C12CCC2 405444301 346666879 /nfs/dbraw/zinc/66/68/79/346666879.db2.gz WIICYYPOJZVGEO-ZJUUUORDSA-N 1 3 180.295 1.398 10 0 ADAEHO C[C@@H]([C@H]1C[C@H]1C)N1CC[C@](C)([NH3+])C1 405748339 346672218 /nfs/dbraw/zinc/67/22/18/346672218.db2.gz BZPPAXLPOZDBAJ-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO CN(C)C[C@@H]1C[NH2+]CC12CCCCC2 409420209 346678386 /nfs/dbraw/zinc/67/83/86/346678386.db2.gz XCLYCAFSPXUDGD-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H]2CCCC[C@@H]21 584881064 346748199 /nfs/dbraw/zinc/74/81/99/346748199.db2.gz CHIPNQGQWFLHIQ-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCN[C@H]2CCCC[C@@H]21 584881386 346748224 /nfs/dbraw/zinc/74/82/24/346748224.db2.gz IGDOTTPCFDSYRX-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCN[C@H]2CCCC[C@@H]21 584881386 346748227 /nfs/dbraw/zinc/74/82/27/346748227.db2.gz IGDOTTPCFDSYRX-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H]2CCCC[C@@H]21 584881067 346748276 /nfs/dbraw/zinc/74/82/76/346748276.db2.gz CHIPNQGQWFLHIQ-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C 622044504 347236648 /nfs/dbraw/zinc/23/66/48/347236648.db2.gz ILMKVDAPHAMSJI-GUBZILKMSA-N 1 3 184.327 1.748 10 0 ADAEHO CCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629404630 347342070 /nfs/dbraw/zinc/34/20/70/347342070.db2.gz APCRXNMKBUWDIA-OUAUKWLOSA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H]1CC1(C)C 629544372 347347275 /nfs/dbraw/zinc/34/72/75/347347275.db2.gz LDOBDDOVYPCDTP-LMLFDSFASA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H](C)[C@@H]2C[C@H]2C)C[NH2+]1 629542435 347347309 /nfs/dbraw/zinc/34/73/09/347347309.db2.gz ZITUJWASLKELFU-PZWNZHSQSA-N 1 3 196.338 1.761 10 0 ADAEHO C/C=C\CN[C@H](C)C[C@@H](C)[NH3+] 629541568 347347311 /nfs/dbraw/zinc/34/73/11/347347311.db2.gz XMLVXBYPMOYKPS-UVSMVFJQSA-N 1 3 156.273 1.278 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@@H]1CC1(C)C 629544374 347347314 /nfs/dbraw/zinc/34/73/14/347347314.db2.gz LDOBDDOVYPCDTP-VPOLOUISSA-N 1 3 196.338 1.761 10 0 ADAEHO C/C=C/C[NH2+][C@@H](C)[C@@H]1CCCCN1 629540504 347347321 /nfs/dbraw/zinc/34/73/21/347347321.db2.gz VBRLHKIHENOPOS-SEUFLZDSSA-N 1 3 182.311 1.683 10 0 ADAEHO CC[C@@H]1CC[C@@H]1N[C@H]1CC[C@H](C)[NH2+]C1 629541636 347347328 /nfs/dbraw/zinc/34/73/28/347347328.db2.gz SYYOJVFRJMJWKY-USZNOCQGSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1CC1(C)C 629544373 347347336 /nfs/dbraw/zinc/34/73/36/347347336.db2.gz LDOBDDOVYPCDTP-UKKRHICBSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@@H]1CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 629541637 347347352 /nfs/dbraw/zinc/34/73/52/347347352.db2.gz SYYOJVFRJMJWKY-WYUUTHIRSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629545396 347348036 /nfs/dbraw/zinc/34/80/36/347348036.db2.gz KHTZGSXLNIVXPD-ZDCRXTMVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1C[C@H]1C 629547110 347348067 /nfs/dbraw/zinc/34/80/67/347348067.db2.gz RLSRJWUGHQMBFL-ORMBPQIASA-N 1 3 182.311 1.371 10 0 ADAEHO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629546578 347348174 /nfs/dbraw/zinc/34/81/74/347348174.db2.gz ZVGHQMJQPUSXOY-VPOLOUISSA-N 1 3 184.327 1.761 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629549458 347348911 /nfs/dbraw/zinc/34/89/11/347348911.db2.gz VYKWQENHRAYJRE-QCNOEVLYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1CN 631836782 347389194 /nfs/dbraw/zinc/38/91/94/347389194.db2.gz GRIHXRAYFCKUQK-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO CCC(CC)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 631836669 347389349 /nfs/dbraw/zinc/38/93/49/347389349.db2.gz DWRFDQIZYJJCIE-PWSUYJOCSA-N 1 3 198.354 1.949 10 0 ADAEHO CCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 631842821 347390407 /nfs/dbraw/zinc/39/04/07/347390407.db2.gz GIDUGFXMCRQQHM-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO CCCC[N@H+]1C[C@H](C)[C@H](CN)C1 631842821 347390409 /nfs/dbraw/zinc/39/04/09/347390409.db2.gz GIDUGFXMCRQQHM-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 634998544 347435328 /nfs/dbraw/zinc/43/53/28/347435328.db2.gz HCOUZPLJRXSZHB-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 634998544 347435329 /nfs/dbraw/zinc/43/53/29/347435329.db2.gz HCOUZPLJRXSZHB-TUAOUCFPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CN)C1 634998541 347435577 /nfs/dbraw/zinc/43/55/77/347435577.db2.gz HCOUZPLJRXSZHB-QJPTWQEYSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1CN 634998968 347435983 /nfs/dbraw/zinc/43/59/83/347435983.db2.gz NVJVVXIXDCCDJW-MNOVXSKESA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1CN 634998968 347435984 /nfs/dbraw/zinc/43/59/84/347435984.db2.gz NVJVVXIXDCCDJW-MNOVXSKESA-N 1 3 198.354 1.949 10 0 ADAEHO NCCC[NH2+][C@]12CCCC[C@H]1C2 635001051 347435997 /nfs/dbraw/zinc/43/59/97/347435997.db2.gz DDEJGEZIICXKNG-UWVGGRQHSA-N 1 3 168.284 1.258 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH+]1CCCCC1 70536059 351603920 /nfs/dbraw/zinc/60/39/20/351603920.db2.gz OGXZDQYLOGRRLH-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH+]1CCCCC1 70536057 351603928 /nfs/dbraw/zinc/60/39/28/351603928.db2.gz OGXZDQYLOGRRLH-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]Cc1cccc2c1CNC2 258322998 351861323 /nfs/dbraw/zinc/86/13/23/351861323.db2.gz XSEAGGUYHGEGEO-UHFFFAOYSA-N 1 3 162.236 1.009 10 0 ADAEHO CC1(C)CN(C2CC2)CC[C@@H]1[NH3+] 259299726 351872502 /nfs/dbraw/zinc/87/25/02/351872502.db2.gz PPGBQCMOSZFJFZ-VIFPVBQESA-N 1 3 168.284 1.208 10 0 ADAEHO Cc1ccc([C@H](N)CC[NH3+])cc1C 259331528 351872906 /nfs/dbraw/zinc/87/29/06/351872906.db2.gz LFZLJOVHUKODHX-LLVKDONJSA-N 1 3 178.279 1.652 10 0 ADAEHO CC(C)C1CC(NC2CC[NH2+]CC2)C1 335177071 352089871 /nfs/dbraw/zinc/08/98/71/352089871.db2.gz UBAJKDAVXLZFNG-UHFFFAOYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1C[NH+]([C@H]2CCNC(C)(C)C2)C1 575478720 352296643 /nfs/dbraw/zinc/29/66/43/352296643.db2.gz KKMMSSYRGNQYEP-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](CN2CC[C@@H](F)C2)C1 575518372 352502192 /nfs/dbraw/zinc/50/21/92/352502192.db2.gz USKLXICGSYVCMN-IVZWLZJFSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](CN2CC[C@@H](F)C2)C1 575518376 352502199 /nfs/dbraw/zinc/50/21/99/352502199.db2.gz USKLXICGSYVCMN-OPRDCNLKSA-N 1 3 186.274 1.158 10 0 ADAEHO CC1CN(C[C@@H]2C[NH2+]CC[C@@H]2C)C1 575506924 352438260 /nfs/dbraw/zinc/43/82/60/352438260.db2.gz PGMQAUPRXDNRBK-QWRGUYRKSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1C[C@@H](N(C)C2CCC2)CC[NH2+]1 575511167 352464407 /nfs/dbraw/zinc/46/44/07/352464407.db2.gz CAHNZNKIHVKCNU-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[N@H+](CC2CC2)C[C@@H](C)[C@@H]1N 575525556 352536447 /nfs/dbraw/zinc/53/64/47/352536447.db2.gz LDAWDQXRIFVNJH-JZYVYDRUSA-N 1 3 182.311 1.312 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[NH+]1C[C@@H]2CC[C@H]2C1 575526279 352539368 /nfs/dbraw/zinc/53/93/68/352539368.db2.gz SCKDWHBMIBNTDL-NAKRPEOUSA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CC[C@H]1[N@H+]1C[C@H]2CC[C@H]2C1 575526280 352539669 /nfs/dbraw/zinc/53/96/69/352539669.db2.gz SCKDWHBMIBNTDL-UKKRHICBSA-N 1 3 180.295 1.066 10 0 ADAEHO NC1(C[N@@H+]2C[C@H]3CCC[C@H]32)CCC1 575537236 352588693 /nfs/dbraw/zinc/58/86/93/352588693.db2.gz CWRWJUHWPCVGFT-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2C[C@H]3CCC[C@H]32)CCC1 575537236 352588694 /nfs/dbraw/zinc/58/86/94/352588694.db2.gz CWRWJUHWPCVGFT-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2C[C@@H]3CCC[C@H]32)CCC1 575537238 352588861 /nfs/dbraw/zinc/58/88/61/352588861.db2.gz CWRWJUHWPCVGFT-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2C[C@H]3CCC[C@@H]32)CCC1 575537239 352588886 /nfs/dbraw/zinc/58/88/86/352588886.db2.gz CWRWJUHWPCVGFT-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO N[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575538279 352594126 /nfs/dbraw/zinc/59/41/26/352594126.db2.gz MBFDLQMHQRZFEZ-ZNSHCXBVSA-N 1 3 180.295 1.351 10 0 ADAEHO N[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575538281 352594406 /nfs/dbraw/zinc/59/44/06/352594406.db2.gz MBFDLQMHQRZFEZ-ZRUFSTJUSA-N 1 3 180.295 1.351 10 0 ADAEHO N[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575538281 352594408 /nfs/dbraw/zinc/59/44/08/352594408.db2.gz MBFDLQMHQRZFEZ-ZRUFSTJUSA-N 1 3 180.295 1.351 10 0 ADAEHO CC1(C)CCN1[C@H]1CC[C@H]1C[NH3+] 575541100 352606651 /nfs/dbraw/zinc/60/66/51/352606651.db2.gz DWZXHQWRUYMSQX-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)N1CCC([NH3+])(C2CC2)CC1 575553695 352649921 /nfs/dbraw/zinc/64/99/21/352649921.db2.gz FEXHDNMLXDSPSA-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 575549545 352634860 /nfs/dbraw/zinc/63/48/60/352634860.db2.gz KKBJEYWSPIMSGF-WDEREUQCSA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@](C)(N)CC1 575561706 352682624 /nfs/dbraw/zinc/68/26/24/352682624.db2.gz TWNYEGPHMMFYCA-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)[C@@H](C)[N@@H+]1CC(C)(C)C1(C)C 575568285 352715965 /nfs/dbraw/zinc/71/59/65/352715965.db2.gz NJTZMJIDWCEANY-DTWKUNHWSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[N@H+]1CC[C@@](N)(C2CCCC2)C1 575571490 352731170 /nfs/dbraw/zinc/73/11/70/352731170.db2.gz VWSKPIMDTHVWKN-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[C@H](C)[C@@]1(N)C[C@@H](C)[N@@H+](C)C1 575572694 352737254 /nfs/dbraw/zinc/73/72/54/352737254.db2.gz SLEGZOULIQSCOJ-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H](C)[C@@]1(N)C[C@@H](C)[N@H+](C)C1 575572808 352738179 /nfs/dbraw/zinc/73/81/79/352738179.db2.gz WWQWNLQVCKAFLX-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CN(C)CC[C@@]1([NH3+])C1CC1 575575823 352754138 /nfs/dbraw/zinc/75/41/38/352754138.db2.gz JGEJGTWUJBQKNA-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO CCN1CCC[C@]([NH3+])(C2CC2)CC1 575558944 352670284 /nfs/dbraw/zinc/67/02/84/352670284.db2.gz ZPIOMWMHXQXWLI-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1CC[C@H]([NH3+])[C@H]1C 575582007 352784806 /nfs/dbraw/zinc/78/48/06/352784806.db2.gz BIYMMBBMFGXUKS-KYXWUPHJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1[C@H](C)CN1C[C@]1(C)CC[NH2+]C1 575581975 352785045 /nfs/dbraw/zinc/78/50/45/352785045.db2.gz AWNHGGGUSDTKRG-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(N)CCCC2)[C@H]1C 575585058 352801089 /nfs/dbraw/zinc/80/10/89/352801089.db2.gz UBBFTMBKQVYNJF-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[N@H+](CC2(N)CCCC2)[C@@H]1C 575585059 352801165 /nfs/dbraw/zinc/80/11/65/352801165.db2.gz UBBFTMBKQVYNJF-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C[C@H]2CC2(C)C)C[C@H]1[NH3+] 575586547 352808219 /nfs/dbraw/zinc/80/82/19/352808219.db2.gz FENOXFMKYKHPAT-OPRDCNLKSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@H]1CN 575587081 352810369 /nfs/dbraw/zinc/81/03/69/352810369.db2.gz GDZSAYZUTJNRCZ-XFWSIPNHSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2CN)[C@@H]1C 575587077 352810467 /nfs/dbraw/zinc/81/04/67/352810467.db2.gz GDZSAYZUTJNRCZ-DOLQZWNJSA-N 1 3 168.284 1.064 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](N2CC(C3CC3)C2)C1 575587153 352811265 /nfs/dbraw/zinc/81/12/65/352811265.db2.gz LNMRTTKNZPKNOI-WDEREUQCSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CCNC[C@H]1C[N@@H+]1CC[C@H]1C 575589189 352821193 /nfs/dbraw/zinc/82/11/93/352821193.db2.gz CKOJRGKSNFWMLY-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC1(C)C 575590155 352826570 /nfs/dbraw/zinc/82/65/70/352826570.db2.gz ZWNPPOHKNZNQAJ-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C[N@@H+]1CC[C@@H]1C)=C1CNC1 575593031 352840992 /nfs/dbraw/zinc/84/09/92/352840992.db2.gz VCFAEQHNBBCDLE-VIFPVBQESA-N 1 3 166.268 1.000 10 0 ADAEHO NC1CC([N@H+]2C[C@H]3CCCC[C@H]32)C1 575593280 352841833 /nfs/dbraw/zinc/84/18/33/352841833.db2.gz ZWZHZFTXUNAJIG-AGVGLQIMSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2C[C@@H]3CCCC[C@H]32)C1 575593281 352842056 /nfs/dbraw/zinc/84/20/56/352842056.db2.gz ZWZHZFTXUNAJIG-IDWGSYCQSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H]1CCNC(C)(C)C1 575593224 352842175 /nfs/dbraw/zinc/84/21/75/352842175.db2.gz YXQQAQUGEKPFGE-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CC[C@@H](N)C1 575594019 352847232 /nfs/dbraw/zinc/84/72/32/352847232.db2.gz BASNXTLUAFNGOT-LMLFDSFASA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CC[C@@H](N)C1 575594019 352847233 /nfs/dbraw/zinc/84/72/33/352847233.db2.gz BASNXTLUAFNGOT-LMLFDSFASA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1CC[C@H](N)C1 575594020 352847276 /nfs/dbraw/zinc/84/72/76/352847276.db2.gz BASNXTLUAFNGOT-VLEAKVRGSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CC[C@H](N)C1 575594020 352847277 /nfs/dbraw/zinc/84/72/77/352847277.db2.gz BASNXTLUAFNGOT-VLEAKVRGSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@@H]1CN(C[C@H]2CC23CC3)C[C@@H]1[NH3+] 575594011 352847288 /nfs/dbraw/zinc/84/72/88/352847288.db2.gz AWPGIJNFLHIINR-BBBLOLIVSA-N 1 3 180.295 1.066 10 0 ADAEHO C1CC2(C1)CC[N@@H+]2C1CCNCC1 575594257 352848979 /nfs/dbraw/zinc/84/89/79/352848979.db2.gz FUKWCCVJNPYUKJ-UHFFFAOYSA-N 1 3 180.295 1.367 10 0 ADAEHO C1CC2(C1)CC[N@H+]2C1CCNCC1 575594257 352848981 /nfs/dbraw/zinc/84/89/81/352848981.db2.gz FUKWCCVJNPYUKJ-UHFFFAOYSA-N 1 3 180.295 1.367 10 0 ADAEHO C1CC2(C1)CCN2C1CC[NH2+]CC1 575594257 352848982 /nfs/dbraw/zinc/84/89/82/352848982.db2.gz FUKWCCVJNPYUKJ-UHFFFAOYSA-N 1 3 180.295 1.367 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCC1(C)C 575594441 352849761 /nfs/dbraw/zinc/84/97/61/352849761.db2.gz IMUCBCHYDNCXPV-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCCNC1 643484534 352962951 /nfs/dbraw/zinc/96/29/51/352962951.db2.gz YFVVLYBCUKYJCC-NEPJUHHUSA-N 1 3 196.338 1.930 10 0 ADAEHO C[C@H]([NH2+]C1CCNCC1)[C@H]1C[C@H]1C 643496282 352970031 /nfs/dbraw/zinc/97/00/31/352970031.db2.gz MPHXBVSMMGBPSE-YWVKMMECSA-N 1 3 182.311 1.373 10 0 ADAEHO NCCC[NH2+][C@H]1CCC12CCCC2 643496769 352970035 /nfs/dbraw/zinc/97/00/35/352970035.db2.gz GBDSXQDVGSTBOO-JTQLQIEISA-N 1 3 182.311 1.648 10 0 ADAEHO C[C@H](Cc1ccoc1)NCCC[NH3+] 643496804 352970044 /nfs/dbraw/zinc/97/00/44/352970044.db2.gz PEYYEWXTKSDENA-SECBINFHSA-N 1 3 182.267 1.149 10 0 ADAEHO C[C@H](Cc1ccoc1)[NH2+]CCCN 643496804 352970045 /nfs/dbraw/zinc/97/00/45/352970045.db2.gz PEYYEWXTKSDENA-SECBINFHSA-N 1 3 182.267 1.149 10 0 ADAEHO NCCC[NH2+][C@H](C1CCCC1)C1CC1 643496833 352971108 /nfs/dbraw/zinc/97/11/08/352971108.db2.gz ZODLYOKTQDQOQG-GFCCVEGCSA-N 1 3 196.338 1.894 10 0 ADAEHO CNCCC[NH2+]C1CC(C(C)C)C1 643498519 352971944 /nfs/dbraw/zinc/97/19/44/352971944.db2.gz ORPXBDQFFFMUGJ-UHFFFAOYSA-N 1 3 184.327 1.620 10 0 ADAEHO C[NH2+]CCCNC1CC(C(C)C)C1 643498519 352971945 /nfs/dbraw/zinc/97/19/45/352971945.db2.gz ORPXBDQFFFMUGJ-UHFFFAOYSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H]([NH2+]CC1CNC1)C1CCCCC1 643515646 352986392 /nfs/dbraw/zinc/98/63/92/352986392.db2.gz ANBYWXWSFLKEKN-JTQLQIEISA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]([NH2+]CC1CNC1)C1CCCCC1 643515647 352986585 /nfs/dbraw/zinc/98/65/85/352986585.db2.gz ANBYWXWSFLKEKN-SNVBAGLBSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 643515955 352987400 /nfs/dbraw/zinc/98/74/00/352987400.db2.gz AJIRENXVSZNGIE-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CN(CCCF)[C@H]1CCC[NH2+]CC1 213360388 409511957 /nfs/dbraw/zinc/51/19/57/409511957.db2.gz XHNUFSCOSYUUHR-JTQLQIEISA-N 1 3 188.290 1.420 10 0 ADAEHO CC1C[C@@H]2CC[C@H](C1)[N@H+]2CCCN 662320531 409717251 /nfs/dbraw/zinc/71/72/51/409717251.db2.gz UYPAFFOFFIFZKI-FGWVZKOKSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 3732453 342984123 /nfs/dbraw/zinc/98/41/23/342984123.db2.gz CULUXEMAMNOREK-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CN(C)Cc1cccc(C[NH+](C)C)c1 6437186 343014822 /nfs/dbraw/zinc/01/48/22/343014822.db2.gz OUWLQMIJGBZEME-UHFFFAOYSA-N 1 3 192.306 1.810 10 0 ADAEHO CC1CC[NH+](C[C@@H](C)CN)CC1 11804624 343024956 /nfs/dbraw/zinc/02/49/56/343024956.db2.gz XREYQFOXTJBLAS-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CC1CCN(C[C@@H](C)C[NH3+])CC1 11804624 343024958 /nfs/dbraw/zinc/02/49/58/343024958.db2.gz XREYQFOXTJBLAS-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CC1CC[NH+](C[C@H](C)CN)CC1 11804626 343025118 /nfs/dbraw/zinc/02/51/18/343025118.db2.gz XREYQFOXTJBLAS-SNVBAGLBSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCC[C@@H](C)C1 11822422 343025046 /nfs/dbraw/zinc/02/50/46/343025046.db2.gz LJPRTOVKQFULBS-NXEZZACHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCC[C@@H](C)C1 11822422 343025047 /nfs/dbraw/zinc/02/50/47/343025047.db2.gz LJPRTOVKQFULBS-NXEZZACHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC1CCN(C[C@H](C)C[NH3+])CC1 11804626 343025120 /nfs/dbraw/zinc/02/51/20/343025120.db2.gz XREYQFOXTJBLAS-SNVBAGLBSA-N 1 3 170.300 1.313 10 0 ADAEHO C[N@@H+]1C(C)(C)C[C@@H](CN)C1(C)C 14000369 343038273 /nfs/dbraw/zinc/03/82/73/343038273.db2.gz HKSRAKIZEQECFH-QMMMGPOBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+]1C(C)(C)C[C@@H](CN)C1(C)C 14000369 343038275 /nfs/dbraw/zinc/03/82/75/343038275.db2.gz HKSRAKIZEQECFH-QMMMGPOBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1C(C)(C)C[C@H](CN)C1(C)C 14000372 343038280 /nfs/dbraw/zinc/03/82/80/343038280.db2.gz HKSRAKIZEQECFH-MRVPVSSYSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+]1C(C)(C)C[C@H](CN)C1(C)C 14000372 343038282 /nfs/dbraw/zinc/03/82/82/343038282.db2.gz HKSRAKIZEQECFH-MRVPVSSYSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N)CC1 19802884 343060820 /nfs/dbraw/zinc/06/08/20/343060820.db2.gz YJORDFDZJVWWNU-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N)CC1 19802882 343060950 /nfs/dbraw/zinc/06/09/50/343060950.db2.gz YJORDFDZJVWWNU-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH+](C)CCNc1ccncc1 21510006 343075775 /nfs/dbraw/zinc/07/57/75/343075775.db2.gz VCPZESIOTVDMFZ-UHFFFAOYSA-N 1 3 165.240 1.055 10 0 ADAEHO CC[C@@H]([NH3+])[C@H](C)N1CCCC1 23066560 343082906 /nfs/dbraw/zinc/08/29/06/343082906.db2.gz GZPWUECYVMFUPA-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H]([NH3+])[C@H](C)N1CCCC1 23066562 343082951 /nfs/dbraw/zinc/08/29/51/343082951.db2.gz GZPWUECYVMFUPA-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H]([NH3+])[C@@H](C)N1CCCC1 23066557 343083006 /nfs/dbraw/zinc/08/30/06/343083006.db2.gz GZPWUECYVMFUPA-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[NH+](C)[C@@H]1CCCCC[C@H]1N 23070442 343083297 /nfs/dbraw/zinc/08/32/97/343083297.db2.gz HXBCNYLGCAGTHL-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[NH+](C)[C@H]1CCCCC[C@H]1N 23070443 343083306 /nfs/dbraw/zinc/08/33/06/343083306.db2.gz HXBCNYLGCAGTHL-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[NH+](C)[C@H]1CCCCCC[C@@H]1N 23069264 343083376 /nfs/dbraw/zinc/08/33/76/343083376.db2.gz MFJRDIFRRNSDQH-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CC[C@@H](N)[C@@H]([NH+](C)C)C1 23069942 343083495 /nfs/dbraw/zinc/08/34/95/343083495.db2.gz DPBRRQIRBCVDMK-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1CC[C@H](N)[C@@H]([NH+](C)C)C1 23069945 343083516 /nfs/dbraw/zinc/08/35/16/343083516.db2.gz DPBRRQIRBCVDMK-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@H]1CCCCC[C@@H]1N 23070440 343083603 /nfs/dbraw/zinc/08/36/03/343083603.db2.gz HXBCNYLGCAGTHL-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[NH+](C)[C@@H]1CCCCCC[C@H]1N 23069266 343083660 /nfs/dbraw/zinc/08/36/60/343083660.db2.gz MFJRDIFRRNSDQH-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[NH+](C)[C@H]1CCCCCC[C@H]1N 23069268 343083669 /nfs/dbraw/zinc/08/36/69/343083669.db2.gz MFJRDIFRRNSDQH-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]1CCC[C@@H](N2CCC([NH3+])CC2)C1 26516682 343089691 /nfs/dbraw/zinc/08/96/91/343089691.db2.gz XDTXXQOQNZFOEZ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCC[C@H]([NH+]2CCC(N)CC2)C1 26516686 343089769 /nfs/dbraw/zinc/08/97/69/343089769.db2.gz XDTXXQOQNZFOEZ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCC[C@H](N2CCC([NH3+])CC2)C1 26516686 343089772 /nfs/dbraw/zinc/08/97/72/343089772.db2.gz XDTXXQOQNZFOEZ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1C[C@@H]2C[C@H](C1)C[N@H+]1CCCC[C@@H]21 32250152 343101902 /nfs/dbraw/zinc/10/19/02/343101902.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 1 3 194.322 1.422 10 0 ADAEHO CN1C[C@@H]2C[C@H](C1)C[N@@H+]1CCCC[C@@H]21 32250152 343101904 /nfs/dbraw/zinc/10/19/04/343101904.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 1 3 194.322 1.422 10 0 ADAEHO CC(C)N1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629147 343103254 /nfs/dbraw/zinc/10/32/54/343103254.db2.gz KUIDTALBUSZCDI-ZACCUICWSA-N 1 3 182.311 1.454 10 0 ADAEHO CCCNCCC[NH2+]CCC 33647161 343106261 /nfs/dbraw/zinc/10/62/61/343106261.db2.gz PCRVCIMIOTWSNM-UHFFFAOYSA-N 1 3 158.289 1.376 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH2+]C1CC1 34370966 343117642 /nfs/dbraw/zinc/11/76/42/343117642.db2.gz GLXSANUPYLXYBF-SECBINFHSA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C)C[NH2+]CC[C@H]1NC1CC1 34370966 343117644 /nfs/dbraw/zinc/11/76/44/343117644.db2.gz GLXSANUPYLXYBF-SECBINFHSA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH2+]C1CC1 34370964 343117927 /nfs/dbraw/zinc/11/79/27/343117927.db2.gz GLXSANUPYLXYBF-VIFPVBQESA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C)C[NH2+]CC[C@@H]1NC1CC1 34370964 343117929 /nfs/dbraw/zinc/11/79/29/343117929.db2.gz GLXSANUPYLXYBF-VIFPVBQESA-N 1 3 168.284 1.127 10 0 ADAEHO C[N@@H+]1CCc2cccc3c2[C@@H]1C[C@@H]3N 35576816 343133021 /nfs/dbraw/zinc/13/30/21/343133021.db2.gz MOWNEHUHHXNLML-QWRGUYRKSA-N 1 3 188.274 1.619 10 0 ADAEHO C[N@H+]1CCc2cccc3c2[C@@H]1C[C@@H]3N 35576816 343133024 /nfs/dbraw/zinc/13/30/24/343133024.db2.gz MOWNEHUHHXNLML-QWRGUYRKSA-N 1 3 188.274 1.619 10 0 ADAEHO C[N@@H+]1CCc2cccc3c2[C@H]1C[C@@H]3N 35576819 343133082 /nfs/dbraw/zinc/13/30/82/343133082.db2.gz MOWNEHUHHXNLML-WDEREUQCSA-N 1 3 188.274 1.619 10 0 ADAEHO C[N@H+]1CCc2cccc3c2[C@H]1C[C@@H]3N 35576819 343133083 /nfs/dbraw/zinc/13/30/83/343133083.db2.gz MOWNEHUHHXNLML-WDEREUQCSA-N 1 3 188.274 1.619 10 0 ADAEHO CCC1CCC(N)(C[NH3+])CC1 35676979 343136684 /nfs/dbraw/zinc/13/66/84/343136684.db2.gz YCRSNISGAWKOMI-UHFFFAOYSA-N 1 3 156.273 1.243 10 0 ADAEHO C[C@H](CN)C[NH+]1CCCCCCC1 36677588 343147723 /nfs/dbraw/zinc/14/77/23/343147723.db2.gz JYMPETCLDRYLJV-LLVKDONJSA-N 1 3 184.327 1.847 10 0 ADAEHO C[C@H](CN1CCCCC1)C(N)=[NH2+] 36678355 343147791 /nfs/dbraw/zinc/14/77/91/343147791.db2.gz GLSQEMUYLASULE-MRVPVSSYSA-N 1 3 169.272 1.044 10 0 ADAEHO CNCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 36827247 343150494 /nfs/dbraw/zinc/15/04/94/343150494.db2.gz KTVKPWFSFNLGGA-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 36827247 343150497 /nfs/dbraw/zinc/15/04/97/343150497.db2.gz KTVKPWFSFNLGGA-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[C@@H](N)[C@H]([NH+](C)C)C1 36878865 343152693 /nfs/dbraw/zinc/15/26/93/343152693.db2.gz DPBRRQIRBCVDMK-OPRDCNLKSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1CC[C@H](N)[C@H]([NH+](C)C)C1 36878861 343152871 /nfs/dbraw/zinc/15/28/71/343152871.db2.gz DPBRRQIRBCVDMK-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](CN)C1 36915207 343154333 /nfs/dbraw/zinc/15/43/33/343154333.db2.gz WNGVMWLXARPKIK-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](CN)C1 36915207 343154335 /nfs/dbraw/zinc/15/43/35/343154335.db2.gz WNGVMWLXARPKIK-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CC[C@H](CN)C1 36915206 343154343 /nfs/dbraw/zinc/15/43/43/343154343.db2.gz WNGVMWLXARPKIK-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CC[C@H](CN)C1 36915206 343154344 /nfs/dbraw/zinc/15/43/44/343154344.db2.gz WNGVMWLXARPKIK-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1N 37080984 343158262 /nfs/dbraw/zinc/15/82/62/343158262.db2.gz AVRXTXXXPHJLHM-UWVGGRQHSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1N 37080984 343158263 /nfs/dbraw/zinc/15/82/63/343158263.db2.gz AVRXTXXXPHJLHM-UWVGGRQHSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](C)C2CC2)C1 37081079 343158504 /nfs/dbraw/zinc/15/85/04/343158504.db2.gz GGWSTQCEXJHCQY-YUSALJHKSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](C)C2CC2)C1 37081079 343158506 /nfs/dbraw/zinc/15/85/06/343158506.db2.gz GGWSTQCEXJHCQY-YUSALJHKSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C2CC2)C1 37081077 343158718 /nfs/dbraw/zinc/15/87/18/343158718.db2.gz GGWSTQCEXJHCQY-ADEWGFFLSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)C2CC2)C1 37081077 343158719 /nfs/dbraw/zinc/15/87/19/343158719.db2.gz GGWSTQCEXJHCQY-ADEWGFFLSA-N 1 3 196.338 1.987 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCC[C@@H]1CN 37159246 343161370 /nfs/dbraw/zinc/16/13/70/343161370.db2.gz IUZNJUSOBCVBJT-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1CN 37159246 343161373 /nfs/dbraw/zinc/16/13/73/343161373.db2.gz IUZNJUSOBCVBJT-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 37159246 343161374 /nfs/dbraw/zinc/16/13/74/343161374.db2.gz IUZNJUSOBCVBJT-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCC[C@H]2CN)CC1 37156836 343161398 /nfs/dbraw/zinc/16/13/98/343161398.db2.gz BSVZVPXKTOFWAW-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH+](C)[C@@H]1CCCC[C@H]1CN 37158311 343161413 /nfs/dbraw/zinc/16/14/13/343161413.db2.gz UDLUNWQKJHUDIW-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C)[C@@H]1CCCC[C@H]1C[NH3+] 37158311 343161415 /nfs/dbraw/zinc/16/14/15/343161415.db2.gz UDLUNWQKJHUDIW-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[NH+](C)[C@@H]1CCCCC[C@@H]1CN 37158299 343161448 /nfs/dbraw/zinc/16/14/48/343161448.db2.gz PQLQCDCWYSXZHS-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)[C@@H]1CCCCC[C@@H]1C[NH3+] 37158299 343161449 /nfs/dbraw/zinc/16/14/49/343161449.db2.gz PQLQCDCWYSXZHS-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[NH+](C)[C@H]1CCCC[C@H]1CN 37158313 343161454 /nfs/dbraw/zinc/16/14/54/343161454.db2.gz UDLUNWQKJHUDIW-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C)[C@H]1CCCC[C@H]1C[NH3+] 37158313 343161456 /nfs/dbraw/zinc/16/14/56/343161456.db2.gz UDLUNWQKJHUDIW-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1CC[NH+]([C@H]2CCC[C@@H]2CN)CC1 37156834 343161469 /nfs/dbraw/zinc/16/14/69/343161469.db2.gz BSVZVPXKTOFWAW-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1CN 37157452 343161476 /nfs/dbraw/zinc/16/14/76/343161476.db2.gz PBADDIXPGQOSCE-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 37157452 343161477 /nfs/dbraw/zinc/16/14/77/343161477.db2.gz PBADDIXPGQOSCE-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CN(C1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] 37159238 343161492 /nfs/dbraw/zinc/16/14/92/343161492.db2.gz DRCXNAONTCWKSF-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH+](C)[C@@H]1CCCC[C@@H]1CN 37158307 343161511 /nfs/dbraw/zinc/16/15/11/343161511.db2.gz UDLUNWQKJHUDIW-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] 37158307 343161513 /nfs/dbraw/zinc/16/15/13/343161513.db2.gz UDLUNWQKJHUDIW-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCC[C@@H]1CN 37157458 343161552 /nfs/dbraw/zinc/16/15/52/343161552.db2.gz TYGKHQIMSGVOLN-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCC[C@@H]1CN 37157458 343161553 /nfs/dbraw/zinc/16/15/53/343161553.db2.gz TYGKHQIMSGVOLN-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@H]1CCCC[C@@H]1CN 37158309 343161578 /nfs/dbraw/zinc/16/15/78/343161578.db2.gz UDLUNWQKJHUDIW-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C)[C@H]1CCCC[C@@H]1C[NH3+] 37158309 343161580 /nfs/dbraw/zinc/16/15/80/343161580.db2.gz UDLUNWQKJHUDIW-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[NH+](C)[C@H]1CCCCC[C@H]1CN 37158305 343161590 /nfs/dbraw/zinc/16/15/90/343161590.db2.gz PQLQCDCWYSXZHS-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)[C@H]1CCCCC[C@H]1C[NH3+] 37158305 343161591 /nfs/dbraw/zinc/16/15/91/343161591.db2.gz PQLQCDCWYSXZHS-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCC[C@@H]1CN 37159248 343161651 /nfs/dbraw/zinc/16/16/51/343161651.db2.gz IUZNJUSOBCVBJT-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCC[C@@H]1CN 37159248 343161653 /nfs/dbraw/zinc/16/16/53/343161653.db2.gz IUZNJUSOBCVBJT-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37159248 343161655 /nfs/dbraw/zinc/16/16/55/343161655.db2.gz IUZNJUSOBCVBJT-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1CN 37159240 343161672 /nfs/dbraw/zinc/16/16/72/343161672.db2.gz DRCXNAONTCWKSF-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1CN 37159240 343161673 /nfs/dbraw/zinc/16/16/73/343161673.db2.gz DRCXNAONTCWKSF-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(C1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] 37159240 343161675 /nfs/dbraw/zinc/16/16/75/343161675.db2.gz DRCXNAONTCWKSF-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH+](C)[C@@H]1CCCCC[C@H]1CN 37158303 343161707 /nfs/dbraw/zinc/16/17/07/343161707.db2.gz PQLQCDCWYSXZHS-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)[C@@H]1CCCCC[C@H]1C[NH3+] 37158303 343161709 /nfs/dbraw/zinc/16/17/09/343161709.db2.gz PQLQCDCWYSXZHS-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCC[C@@H]2CN)CC1 37156832 343161750 /nfs/dbraw/zinc/16/17/50/343161750.db2.gz BSVZVPXKTOFWAW-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+]C1CCN([C@H](C)C(C)C)CC1 37242352 343163600 /nfs/dbraw/zinc/16/36/00/343163600.db2.gz GXFCWFIGLMJCBN-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC1CC[NH+]([C@H](C)C(C)C)CC1 37242352 343163602 /nfs/dbraw/zinc/16/36/02/343163602.db2.gz GXFCWFIGLMJCBN-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC(C)(C)[NH+]1CCC(NC)CC1 37241725 343163618 /nfs/dbraw/zinc/16/36/18/343163618.db2.gz LBYKOWVYAVNMIN-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC(C)(C)N1CCC([NH2+]C)CC1 37241725 343163621 /nfs/dbraw/zinc/16/36/21/343163621.db2.gz LBYKOWVYAVNMIN-UHFFFAOYSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+]C1CCN(CC(C)C)CC1 37241654 343163674 /nfs/dbraw/zinc/16/36/74/343163674.db2.gz ZKBWGGQAHKJNNV-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC1CC[NH+](CC(C)C)CC1 37241654 343163677 /nfs/dbraw/zinc/16/36/77/343163677.db2.gz ZKBWGGQAHKJNNV-UHFFFAOYSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]C1CCN([C@@H](C)C(C)C)CC1 37242354 343163681 /nfs/dbraw/zinc/16/36/81/343163681.db2.gz GXFCWFIGLMJCBN-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO CNC1CC[NH+]([C@@H](C)C(C)C)CC1 37242354 343163683 /nfs/dbraw/zinc/16/36/83/343163683.db2.gz GXFCWFIGLMJCBN-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[C@@H](C)N1CC[C@H]([NH3+])C1 37242356 343163717 /nfs/dbraw/zinc/16/37/17/343163717.db2.gz BIGXRTZQXKXIGW-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[NH2+]C1CCN(CC2CC2)CC1 37240224 343163776 /nfs/dbraw/zinc/16/37/76/343163776.db2.gz MKJVVUYIOZQHLS-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH2+]C1CCN(C2CCCC2)CC1 37241674 343163789 /nfs/dbraw/zinc/16/37/89/343163789.db2.gz WOXFFEXUMWWAEC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CNC1CC[NH+](C2CCCC2)CC1 37241674 343163790 /nfs/dbraw/zinc/16/37/90/343163790.db2.gz WOXFFEXUMWWAEC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)[C@H](C)N1CC[C@H]([NH3+])C1 37242358 343163802 /nfs/dbraw/zinc/16/38/02/343163802.db2.gz BIGXRTZQXKXIGW-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@](N)(C[NH+]1CCCCC1)C1CC1 37479178 343170757 /nfs/dbraw/zinc/17/07/57/343170757.db2.gz LBPWTJYXSQQBOG-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[N@H+](C)CC1(N)CCCC1 37479578 343170815 /nfs/dbraw/zinc/17/08/15/343170815.db2.gz RXIXZPTVWBPTRP-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[N@@H+](C)CC1(N)CCCC1 37479578 343170818 /nfs/dbraw/zinc/17/08/18/343170818.db2.gz RXIXZPTVWBPTRP-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO C[NH2+]CCCCN1CCSCC1 37477924 343170958 /nfs/dbraw/zinc/17/09/58/343170958.db2.gz XWGFZFRDQKYGSI-UHFFFAOYSA-N 1 3 188.340 1.035 10 0 ADAEHO C[C@](N)(C[NH+]1CCCC1)C1CC1 37479123 343171102 /nfs/dbraw/zinc/17/11/02/343171102.db2.gz PRIBHFRBBKWUMB-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO CN1CC[C@H](CN2CCCC2=[NH2+])C1 37485162 343171701 /nfs/dbraw/zinc/17/17/01/343171701.db2.gz QFOCXIUTGACKJQ-VIFPVBQESA-N 1 3 181.283 1.011 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]CCCN 37713182 343176219 /nfs/dbraw/zinc/17/62/19/343176219.db2.gz YRDJPBPCGNJRBO-VIFPVBQESA-N 1 3 158.289 1.359 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]CCCN 37713181 343176341 /nfs/dbraw/zinc/17/63/41/343176341.db2.gz YRDJPBPCGNJRBO-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO CCN1CCC([NH3+])(CC)CC1 37717057 343176552 /nfs/dbraw/zinc/17/65/52/343176552.db2.gz LNTMJFMZLHWGJN-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CCN1CCC([NH3+])(C(C)C)CC1 37717058 343176764 /nfs/dbraw/zinc/17/67/64/343176764.db2.gz CUBIAMZVFVVLEF-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)N1CCC([NH3+])(C(C)C)CC1 37717120 343176821 /nfs/dbraw/zinc/17/68/21/343176821.db2.gz QKIRPEXPAVESPM-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC1([NH3+])CCN(C(C)C)CC1 37717119 343176837 /nfs/dbraw/zinc/17/68/37/343176837.db2.gz ARLSTYJRXNJGSJ-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC1CCC(N)(C[NH3+])CC1 37742967 343177280 /nfs/dbraw/zinc/17/72/80/343177280.db2.gz NDJJEDKNXDGZGK-UHFFFAOYSA-N 1 3 170.300 1.633 10 0 ADAEHO C[C@H]1CCCN1CC1([NH3+])CCCC1 37911237 343180234 /nfs/dbraw/zinc/18/02/34/343180234.db2.gz IYTYYAPQPGTJJV-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC[C@H]1C 37910079 343180270 /nfs/dbraw/zinc/18/02/70/343180270.db2.gz NJNVZNZRLCYXEP-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC[C@H]1C 37910079 343180272 /nfs/dbraw/zinc/18/02/72/343180272.db2.gz NJNVZNZRLCYXEP-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]([NH3+])CN1CCC[C@@H]1C 37911209 343180417 /nfs/dbraw/zinc/18/04/17/343180417.db2.gz FZLOVXQQBLYGIC-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN1CCC[C@H]1C 37911198 343180429 /nfs/dbraw/zinc/18/04/29/343180429.db2.gz CNQZLQYOOZNGPG-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H]([NH3+])CN1CCC[C@@H]1C 37911208 343180622 /nfs/dbraw/zinc/18/06/22/343180622.db2.gz FZLOVXQQBLYGIC-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 37916062 343181463 /nfs/dbraw/zinc/18/14/63/343181463.db2.gz XRZOARASXXZSEJ-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 37916063 343181642 /nfs/dbraw/zinc/18/16/42/343181642.db2.gz XRZOARASXXZSEJ-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 37916086 343181726 /nfs/dbraw/zinc/18/17/26/343181726.db2.gz JNTAYYOVWXSKOM-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 37916087 343181840 /nfs/dbraw/zinc/18/18/40/343181840.db2.gz JNTAYYOVWXSKOM-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)[NH2+]C1CCNCC1 38040472 343183414 /nfs/dbraw/zinc/18/34/14/343183414.db2.gz BJAUEWKNPMFTFC-QMMMGPOBSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@H]([NH2+]C1CCNCC1)C1CC1 38040851 343183607 /nfs/dbraw/zinc/18/36/07/343183607.db2.gz QPLGCOQEAQDTQA-QMMMGPOBSA-N 1 3 168.284 1.127 10 0 ADAEHO CC(C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 38343299 343187888 /nfs/dbraw/zinc/18/78/88/343187888.db2.gz SUBBDRAVZCPWEL-PBINXNQUSA-N 1 3 168.284 1.349 10 0 ADAEHO CC(C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 38343299 343187889 /nfs/dbraw/zinc/18/78/89/343187889.db2.gz SUBBDRAVZCPWEL-PBINXNQUSA-N 1 3 168.284 1.349 10 0 ADAEHO C[NH2+]C1(CCN)CCCCC1 39017321 343193036 /nfs/dbraw/zinc/19/30/36/343193036.db2.gz XQWUXBMMEWMWGM-UHFFFAOYSA-N 1 3 156.273 1.258 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]1CCN 39080892 343196898 /nfs/dbraw/zinc/19/68/98/343196898.db2.gz QYKOAEKWTUSAHH-VIFPVBQESA-N 1 3 156.273 1.208 10 0 ADAEHO Cc1nc(C2CC[NH2+]CC2)c(C)[nH]1 39133097 343203515 /nfs/dbraw/zinc/20/35/15/343203515.db2.gz HJFWTPBKEOHIBB-UHFFFAOYSA-N 1 3 179.267 1.494 10 0 ADAEHO C[NH+]1C(C)(C)CC(C)(N)CC1(C)C 39366175 343211335 /nfs/dbraw/zinc/21/13/35/343211335.db2.gz GAHYPBUFXOILCP-UHFFFAOYSA-N 1 3 184.327 1.987 10 0 ADAEHO CN1C(C)(C)CC(C)([NH3+])CC1(C)C 39366175 343211337 /nfs/dbraw/zinc/21/13/37/343211337.db2.gz GAHYPBUFXOILCP-UHFFFAOYSA-N 1 3 184.327 1.987 10 0 ADAEHO C[NH2+]C1CCN(CC(C)(C)C)CC1 40494669 343219796 /nfs/dbraw/zinc/21/97/96/343219796.db2.gz YHVHKAVWZFIGES-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CCC[C@@H](Nc2cc[nH+]cc2)C1 40673564 343220812 /nfs/dbraw/zinc/22/08/12/343220812.db2.gz LRUMMSPWWMWNOJ-LLVKDONJSA-N 1 3 191.278 1.588 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 40717050 343221845 /nfs/dbraw/zinc/22/18/45/343221845.db2.gz BLHVYDMAKAKBMB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 40717050 343221847 /nfs/dbraw/zinc/22/18/47/343221847.db2.gz BLHVYDMAKAKBMB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H](C)CCN)C1 40717087 343221887 /nfs/dbraw/zinc/22/18/87/343221887.db2.gz BDQKSRSASCQQOZ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H](C)CCN)C1 40717087 343221888 /nfs/dbraw/zinc/22/18/88/343221888.db2.gz BDQKSRSASCQQOZ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]([NH3+])CN1CC[C@H](C)C1 40725319 343222142 /nfs/dbraw/zinc/22/21/42/343222142.db2.gz YSBDIUUGSYFPPG-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]([NH3+])CN1CC[C@H](C)C1 40725318 343222159 /nfs/dbraw/zinc/22/21/59/343222159.db2.gz YSBDIUUGSYFPPG-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(CC1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746496 343222863 /nfs/dbraw/zinc/22/28/63/343222863.db2.gz WPWDPILALKTZML-FOSCPWQOSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@H](CCN)[NH+]1CCCCCCC1 41042524 343225959 /nfs/dbraw/zinc/22/59/59/343225959.db2.gz WWTBTRGDVFUXGO-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CC(C)(C)C)C1 41051405 343228022 /nfs/dbraw/zinc/22/80/22/343228022.db2.gz KEMGIOQVPBEYLR-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCN1CC[C@H](C[NH2+]CC(C)(C)C)C1 41051404 343228289 /nfs/dbraw/zinc/22/82/89/343228289.db2.gz KEMGIOQVPBEYLR-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H]1CCCN(CC[C@@H]2CCC[NH2+]2)C1 42171757 343237315 /nfs/dbraw/zinc/23/73/15/343237315.db2.gz KNHNLHMRNRBIAV-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCCN1CC[C@@H]1CCC[NH2+]1 42172201 343237525 /nfs/dbraw/zinc/23/75/25/343237525.db2.gz JCKDLCRNTDPXJJ-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1CCCSCC1 42444946 343242641 /nfs/dbraw/zinc/24/26/41/343242641.db2.gz XKKZZTCSRWZRRZ-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO CC[C@@H](N)C[N@H+]1CCCSCC1 42444946 343242643 /nfs/dbraw/zinc/24/26/43/343242643.db2.gz XKKZZTCSRWZRRZ-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](CN)CC[C@H]1C 42427356 343242757 /nfs/dbraw/zinc/24/27/57/343242757.db2.gz QZQADMYZCBMZKL-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](CN)CC[C@H]1C 42427356 343242758 /nfs/dbraw/zinc/24/27/58/343242758.db2.gz QZQADMYZCBMZKL-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](CN)CC[C@@H]1C 42427357 343242774 /nfs/dbraw/zinc/24/27/74/343242774.db2.gz QZQADMYZCBMZKL-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](CN)CC[C@@H]1C 42427357 343242775 /nfs/dbraw/zinc/24/27/75/343242775.db2.gz QZQADMYZCBMZKL-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)CC[C@H]1C 42427358 343242808 /nfs/dbraw/zinc/24/28/08/343242808.db2.gz QZQADMYZCBMZKL-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)CC[C@H]1C 42427358 343242809 /nfs/dbraw/zinc/24/28/09/343242809.db2.gz QZQADMYZCBMZKL-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](C[NH3+])CN1CCCSCC1 42443331 343242873 /nfs/dbraw/zinc/24/28/73/343242873.db2.gz FSVSGIKJKVKZND-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCCSCC1 42443331 343242876 /nfs/dbraw/zinc/24/28/76/343242876.db2.gz FSVSGIKJKVKZND-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCCSCC1 42443331 343242878 /nfs/dbraw/zinc/24/28/78/343242878.db2.gz FSVSGIKJKVKZND-SECBINFHSA-N 1 3 188.340 1.020 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)CC[C@@H]1C 42427359 343242906 /nfs/dbraw/zinc/24/29/06/343242906.db2.gz QZQADMYZCBMZKL-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)CC[C@@H]1C 42427359 343242907 /nfs/dbraw/zinc/24/29/07/343242907.db2.gz QZQADMYZCBMZKL-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])CCN1CCCSCC1 42444952 343242921 /nfs/dbraw/zinc/24/29/21/343242921.db2.gz OQUUYLWSIRGYSV-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO CN1CC[C@@H](Nc2cc[nH+]cc2)C1 42548250 343246083 /nfs/dbraw/zinc/24/60/83/343246083.db2.gz VMTAESDLODVUMY-SNVBAGLBSA-N 1 3 177.251 1.198 10 0 ADAEHO CN1CC[C@H](Nc2cc[nH+]cc2)C1 42548247 343246497 /nfs/dbraw/zinc/24/64/97/343246497.db2.gz VMTAESDLODVUMY-JTQLQIEISA-N 1 3 177.251 1.198 10 0 ADAEHO CCC1CCC(N2CC[C@H]([NH3+])C2)CC1 42580703 343247969 /nfs/dbraw/zinc/24/79/69/343247969.db2.gz HTUAUSPTOILHRU-CXQJBGSLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CCC2)CCCN1 44390307 343264817 /nfs/dbraw/zinc/26/48/17/343264817.db2.gz PVQLMLSAXQBTCB-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CCC2)CCCN1 44390307 343264819 /nfs/dbraw/zinc/26/48/19/343264819.db2.gz PVQLMLSAXQBTCB-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 44527580 343267054 /nfs/dbraw/zinc/26/70/54/343267054.db2.gz HHUUALDTEQECHJ-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@H](CN)C1 44527580 343267057 /nfs/dbraw/zinc/26/70/57/343267057.db2.gz HHUUALDTEQECHJ-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@H](CN)C1 44527634 343267071 /nfs/dbraw/zinc/26/70/71/343267071.db2.gz UFCNPZPYECNAHA-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1CCC[C@H](CN)C1 44527634 343267074 /nfs/dbraw/zinc/26/70/74/343267074.db2.gz UFCNPZPYECNAHA-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[C@@H](CN)[C@H]([NH3+])C1 50285727 343281092 /nfs/dbraw/zinc/28/10/92/343281092.db2.gz OMIONCHSXDKRCL-HRDYMLBCSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]1CC[N@H+](CCCN)[C@H](C)C1 51730067 343292498 /nfs/dbraw/zinc/29/24/98/343292498.db2.gz QDFUXIQGKKNUGV-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCN)[C@H](C)C1 51730067 343292499 /nfs/dbraw/zinc/29/24/99/343292499.db2.gz QDFUXIQGKKNUGV-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCN(CCC[NH3+])[C@H](C)C1 51730067 343292501 /nfs/dbraw/zinc/29/25/01/343292501.db2.gz QDFUXIQGKKNUGV-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CC[C@@H](C)C[C@H]1C 51730081 343292701 /nfs/dbraw/zinc/29/27/01/343292701.db2.gz IZICDEFJXZEWCF-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](C2CCC2)C1 52213833 343302110 /nfs/dbraw/zinc/30/21/10/343302110.db2.gz IQIHPMMMZSDJLD-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CNCCC[N@H+](C2CCC2)C1 52213833 343302111 /nfs/dbraw/zinc/30/21/11/343302111.db2.gz IQIHPMMMZSDJLD-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1CCC1 52210786 343302132 /nfs/dbraw/zinc/30/21/32/343302132.db2.gz HDOWBVZCKQGHOA-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1CCC1 52210786 343302133 /nfs/dbraw/zinc/30/21/33/343302133.db2.gz HDOWBVZCKQGHOA-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1C1CCC1 52210786 343302135 /nfs/dbraw/zinc/30/21/35/343302135.db2.gz HDOWBVZCKQGHOA-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@H]1CC[N@@H+](C2CCC2)CCN1 52213781 343302147 /nfs/dbraw/zinc/30/21/47/343302147.db2.gz ZKPRUSUCJHKLMY-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H]1CC[N@H+](C2CCC2)CCN1 52213781 343302149 /nfs/dbraw/zinc/30/21/49/343302149.db2.gz ZKPRUSUCJHKLMY-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CCC2)CCCN1 52213793 343302183 /nfs/dbraw/zinc/30/21/83/343302183.db2.gz QUPPNHPQWQAGTP-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CC[N@H+](C2CCC2)CCCN1 52213793 343302185 /nfs/dbraw/zinc/30/21/85/343302185.db2.gz QUPPNHPQWQAGTP-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCN(C2CCC2)CCC[NH2+]1 52213793 343302187 /nfs/dbraw/zinc/30/21/87/343302187.db2.gz QUPPNHPQWQAGTP-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CN(C2CCC2)CC[C@@H]1[NH3+] 52210760 343302277 /nfs/dbraw/zinc/30/22/77/343302277.db2.gz CXMVGGSELJODPM-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCC2)CC[C@@H]1N 52210760 343302279 /nfs/dbraw/zinc/30/22/79/343302279.db2.gz CXMVGGSELJODPM-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@H+](C2CCC2)CC[C@@H]1N 52210760 343302280 /nfs/dbraw/zinc/30/22/80/343302280.db2.gz CXMVGGSELJODPM-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CCC2)C[C@H](C)CN1 52213828 343302316 /nfs/dbraw/zinc/30/23/16/343302316.db2.gz SXXRLEBBPJYVDB-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@H+](C2CCC2)C[C@H](C)CN1 52213828 343302317 /nfs/dbraw/zinc/30/23/17/343302317.db2.gz SXXRLEBBPJYVDB-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCN(C2CCC2)C[C@H](C)C[NH2+]1 52213828 343302319 /nfs/dbraw/zinc/30/23/19/343302319.db2.gz SXXRLEBBPJYVDB-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CCC1 52210792 343302348 /nfs/dbraw/zinc/30/23/48/343302348.db2.gz HDOWBVZCKQGHOA-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CCC1 52210792 343302350 /nfs/dbraw/zinc/30/23/50/343302350.db2.gz HDOWBVZCKQGHOA-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1C1CCC1 52210792 343302351 /nfs/dbraw/zinc/30/23/51/343302351.db2.gz HDOWBVZCKQGHOA-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@@H+](C2CCC2)C1 52213836 343302638 /nfs/dbraw/zinc/30/26/38/343302638.db2.gz IAYIBJXWBUUCAB-PHIMTYICSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNC[C@@H](C)C[N@H+](C2CCC2)C1 52213836 343302640 /nfs/dbraw/zinc/30/26/40/343302640.db2.gz IAYIBJXWBUUCAB-PHIMTYICSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)CCN1 52298934 343305187 /nfs/dbraw/zinc/30/51/87/343305187.db2.gz KALJQZCWYBORRV-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)CCN1 52298934 343305189 /nfs/dbraw/zinc/30/51/89/343305189.db2.gz KALJQZCWYBORRV-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@H]1N1CC[C@@H](C)[NH2+][C@H](C)CC1 52298987 343305257 /nfs/dbraw/zinc/30/52/57/343305257.db2.gz JYSMUQAKKVULIO-IRCOFANPSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H]1C[C@@H]1N1CCC[NH2+]CCC1 52299016 343305319 /nfs/dbraw/zinc/30/53/19/343305319.db2.gz PXFURSJNJRQVCB-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@@H]1[NH+]1CCCNCCC1 52299016 343305320 /nfs/dbraw/zinc/30/53/20/343305320.db2.gz PXFURSJNJRQVCB-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CCN([C@@H]2C[C@@H]2C)CC[C@@H](C)[NH2+]1 52298982 343305325 /nfs/dbraw/zinc/30/53/25/343305325.db2.gz JYSMUQAKKVULIO-NNYUYHANSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H]1C[C@H]1N1CC[C@@H](C)[NH2+]C[C@@H](C)C1 52298988 343305374 /nfs/dbraw/zinc/30/53/74/343305374.db2.gz QRLCTBNPWXKJMJ-WRWGMCAJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1C[C@H]1[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 52298988 343305375 /nfs/dbraw/zinc/30/53/75/343305375.db2.gz QRLCTBNPWXKJMJ-WRWGMCAJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1C[C@H]1[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 52298988 343305376 /nfs/dbraw/zinc/30/53/76/343305376.db2.gz QRLCTBNPWXKJMJ-WRWGMCAJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1C[C@@H]1NCC1([NH3+])CCCC1 52294650 343305381 /nfs/dbraw/zinc/30/53/81/343305381.db2.gz FUABSUPLTJQALV-IUCAKERBSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@H]1C[C@H]1N1CCC[NH2+]CCC1 52299020 343305392 /nfs/dbraw/zinc/30/53/92/343305392.db2.gz PXFURSJNJRQVCB-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@H]1[NH+]1CCCNCCC1 52299020 343305393 /nfs/dbraw/zinc/30/53/93/343305393.db2.gz PXFURSJNJRQVCB-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1C[C@H]1NCC1([NH3+])CCCC1 52294656 343305416 /nfs/dbraw/zinc/30/54/16/343305416.db2.gz FUABSUPLTJQALV-DTWKUNHWSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@H]1CC[N@H+](Cc2occc2CN)C1 52484429 343305969 /nfs/dbraw/zinc/30/59/69/343305969.db2.gz YKICUGCDIKMSOW-VIFPVBQESA-N 1 3 194.278 1.580 10 0 ADAEHO C[C@H]1CC[N@@H+](Cc2occc2CN)C1 52484429 343305970 /nfs/dbraw/zinc/30/59/70/343305970.db2.gz YKICUGCDIKMSOW-VIFPVBQESA-N 1 3 194.278 1.580 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CC1CC1 53255642 343313657 /nfs/dbraw/zinc/31/36/57/343313657.db2.gz ILRFUBQDRBDUMZ-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CC1CC1 53255642 343313658 /nfs/dbraw/zinc/31/36/58/343313658.db2.gz ILRFUBQDRBDUMZ-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H]1N 53859983 343316616 /nfs/dbraw/zinc/31/66/16/343316616.db2.gz UMQIOXROCRYAFE-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1N 53859983 343316617 /nfs/dbraw/zinc/31/66/17/343316617.db2.gz UMQIOXROCRYAFE-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@H](CN(C)C)C1 53864550 343316888 /nfs/dbraw/zinc/31/68/88/343316888.db2.gz JYJPBJYDKBVBEM-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(C[C@H]1CCC[C@@H]1[NH3+])C1CC1 53865477 343316896 /nfs/dbraw/zinc/31/68/96/343316896.db2.gz YLFRQRZEKCFGNL-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CN(C)C 53864525 343317032 /nfs/dbraw/zinc/31/70/32/343317032.db2.gz OKGMOIWMIMJPQQ-OUAUKWLOSA-N 1 3 184.327 1.572 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](C)C[C@H]1CN(C)C 53864527 343316907 /nfs/dbraw/zinc/31/69/07/343316907.db2.gz OKGMOIWMIMJPQQ-GARJFASQSA-N 1 3 184.327 1.572 10 0 ADAEHO CN(C)C[C@H]1CCCCC[C@@H]1[NH3+] 53864646 343316910 /nfs/dbraw/zinc/31/69/10/343316910.db2.gz GLADQBHOQXCBQZ-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C[C@@H]1CCC[C@@H]1[NH3+])C1CC1 53865476 343316923 /nfs/dbraw/zinc/31/69/23/343316923.db2.gz YLFRQRZEKCFGNL-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C)C[C@H]1CCCCC[C@H]1[NH3+] 53864650 343316926 /nfs/dbraw/zinc/31/69/26/343316926.db2.gz GLADQBHOQXCBQZ-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN(C)C)C1 53864513 343316931 /nfs/dbraw/zinc/31/69/31/343316931.db2.gz YBLCYUZCPUIGBM-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO CN(C[C@H]1CCCCC[C@@H]1[NH3+])C1CC1 53865487 343317066 /nfs/dbraw/zinc/31/70/66/343317066.db2.gz GPUVRPVHPAWLRE-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH3+])[C@H](CN(C)C)C1 53864516 343317082 /nfs/dbraw/zinc/31/70/82/343317082.db2.gz YBLCYUZCPUIGBM-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH3+])[C@H](CN(C)C)C1 53864546 343317168 /nfs/dbraw/zinc/31/71/68/343317168.db2.gz JYJPBJYDKBVBEM-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](C1CCCC1)[N@@H+]1CC[C@H](CN)C1 54082038 343317779 /nfs/dbraw/zinc/31/77/79/343317779.db2.gz XYULSIRPMVZEGW-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](C1CCCC1)[N@H+]1CC[C@H](CN)C1 54082038 343317781 /nfs/dbraw/zinc/31/77/81/343317781.db2.gz XYULSIRPMVZEGW-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH2+]=C1CCCCN1CCN1CCCC1 54127782 343317832 /nfs/dbraw/zinc/31/78/32/343317832.db2.gz DXOAWNXBRQEJNT-UHFFFAOYSA-N 1 3 195.310 1.545 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CCCCNC1 54134823 343317917 /nfs/dbraw/zinc/31/79/17/343317917.db2.gz UDTIVMBDRHKWKD-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CCCCNC1 54134823 343317918 /nfs/dbraw/zinc/31/79/18/343317918.db2.gz UDTIVMBDRHKWKD-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CCCN[C@@H]1CCCC[NH2+]C1 54135144 343318304 /nfs/dbraw/zinc/31/83/04/343318304.db2.gz HPWMHIFWLWMONS-SECBINFHSA-N 1 3 156.273 1.128 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CCCCNC2)C1 54135177 343318397 /nfs/dbraw/zinc/31/83/97/343318397.db2.gz MRLZHQLSZNPAJT-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CCCCNC2)C1 54135177 343318398 /nfs/dbraw/zinc/31/83/98/343318398.db2.gz MRLZHQLSZNPAJT-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CCCNC[C@H](C)C1 54490927 343324936 /nfs/dbraw/zinc/32/49/36/343324936.db2.gz AQBLYJAZQXUMRW-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)C[N@H+]1CCCNC[C@H](C)C1 54490927 343324937 /nfs/dbraw/zinc/32/49/37/343324937.db2.gz AQBLYJAZQXUMRW-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H](N)[C@H]([NH+](C)C)C1 54554742 343325832 /nfs/dbraw/zinc/32/58/32/343325832.db2.gz YNVKVEAONSHOBY-GMTAPVOTSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](CN(C)C)C1 54559679 343325905 /nfs/dbraw/zinc/32/59/05/343325905.db2.gz AXWHSRITMXSHSL-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](CN(C)C)C1 54559681 343325920 /nfs/dbraw/zinc/32/59/20/343325920.db2.gz AXWHSRITMXSHSL-GRYCIOLGSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@@H]1CC[C@H](N)[C@H]([NH+](C)C)C1 54554740 343325966 /nfs/dbraw/zinc/32/59/66/343325966.db2.gz YNVKVEAONSHOBY-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C 54627113 343326905 /nfs/dbraw/zinc/32/69/05/343326905.db2.gz CACYAPMDTSAOKH-FGWVZKOKSA-N 1 3 182.311 1.610 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C(C)C 54627113 343326906 /nfs/dbraw/zinc/32/69/06/343326906.db2.gz CACYAPMDTSAOKH-FGWVZKOKSA-N 1 3 182.311 1.610 10 0 ADAEHO C[NH2+]C1C[C@@H]2CC[C@H](C1)N2C(C)C 54627113 343326908 /nfs/dbraw/zinc/32/69/08/343326908.db2.gz CACYAPMDTSAOKH-FGWVZKOKSA-N 1 3 182.311 1.610 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CC1 54603338 343327020 /nfs/dbraw/zinc/32/70/20/343327020.db2.gz ZEIRYKFSGDHAFA-UQPYNNQESA-N 1 3 180.295 1.364 10 0 ADAEHO CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 54603338 343327024 /nfs/dbraw/zinc/32/70/24/343327024.db2.gz ZEIRYKFSGDHAFA-UQPYNNQESA-N 1 3 180.295 1.364 10 0 ADAEHO NCC(C[NH3+])C1CCCCC1 59847528 343348370 /nfs/dbraw/zinc/34/83/70/343348370.db2.gz GIFMKJCFZSEQSQ-UHFFFAOYSA-N 1 3 156.273 1.100 10 0 ADAEHO C1CC[C@]2(CCCNC2)C[NH2+]C1 59693273 343346829 /nfs/dbraw/zinc/34/68/29/343346829.db2.gz PNLISWHFEAXCNA-JTQLQIEISA-N 1 3 168.284 1.130 10 0 ADAEHO CN(C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 60744085 343354478 /nfs/dbraw/zinc/35/44/78/343354478.db2.gz PNQJONKXUZRGAF-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 60744087 343354583 /nfs/dbraw/zinc/35/45/83/343354583.db2.gz PNQJONKXUZRGAF-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CNC(C)(C)C[N@H+]1CCC[C@H]1C 61319624 343356035 /nfs/dbraw/zinc/35/60/35/343356035.db2.gz XDWKRQUAQIUDDP-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CNC(C)(C)C[N@@H+]1CCC[C@H]1C 61319624 343356034 /nfs/dbraw/zinc/35/60/34/343356034.db2.gz XDWKRQUAQIUDDP-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CNC(C)(C)C[N@@H+]1CCC[C@@H]1C 61319625 343356124 /nfs/dbraw/zinc/35/61/24/343356124.db2.gz XDWKRQUAQIUDDP-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CNC(C)(C)C[N@H+]1CCC[C@@H]1C 61319625 343356125 /nfs/dbraw/zinc/35/61/25/343356125.db2.gz XDWKRQUAQIUDDP-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)(C)[NH2+]C[C@]1(C)CCCNC1 62862214 343383453 /nfs/dbraw/zinc/38/34/53/343383453.db2.gz USRPSYLAUVHCDX-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@]1(C[NH+]2CCCC2)CCCNC1 62861595 343383475 /nfs/dbraw/zinc/38/34/75/343383475.db2.gz ZOJHLFDZIAGZHF-GFCCVEGCSA-N 1 3 196.338 1.862 10 0 ADAEHO CCC[C@@]1(CN)CCC[NH2+]C1 62862294 343383515 /nfs/dbraw/zinc/38/35/15/343383515.db2.gz FADWGFUATDYWQV-VIFPVBQESA-N 1 3 156.273 1.115 10 0 ADAEHO C[C@]1(CNC2CC2)CCC[NH2+]C1 62862243 343383541 /nfs/dbraw/zinc/38/35/41/343383541.db2.gz KJVOEXLHMILTDF-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@]1(C[NH2+]C2CC2)CCCNC1 62862243 343383543 /nfs/dbraw/zinc/38/35/43/343383543.db2.gz KJVOEXLHMILTDF-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO CC(C)(C)[NH2+]C[C@@]1(C)CCCNC1 62862213 343383559 /nfs/dbraw/zinc/38/35/59/343383559.db2.gz USRPSYLAUVHCDX-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO CCN(C)C[C@]1(C)CCC[NH2+]C1 62861885 343383641 /nfs/dbraw/zinc/38/36/41/343383641.db2.gz ULEBLVUOFZNQKA-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@H+](C)C[C@]1(C)CCCNC1 62861885 343383643 /nfs/dbraw/zinc/38/36/43/343383643.db2.gz ULEBLVUOFZNQKA-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@@H+](C)C[C@]1(C)CCCNC1 62861885 343383645 /nfs/dbraw/zinc/38/36/45/343383645.db2.gz ULEBLVUOFZNQKA-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@@H+](C)C[C@@]1(C)CCCNC1 62861886 343383663 /nfs/dbraw/zinc/38/36/63/343383663.db2.gz ULEBLVUOFZNQKA-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO C[C@@]1(C[NH2+]C2CCC2)CCCNC1 62867917 343384110 /nfs/dbraw/zinc/38/41/10/343384110.db2.gz KQCCKULBJOQXJL-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@]1(C[NH2+]C2CCC2)CCCNC1 62867916 343384120 /nfs/dbraw/zinc/38/41/20/343384120.db2.gz KQCCKULBJOQXJL-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@]1(CNC2CCC2)CC[NH2+]C1 62912377 343384509 /nfs/dbraw/zinc/38/45/09/343384509.db2.gz IWDOTOWCRPQXHP-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@H]1CCCCN1C[C@]1(C)CC[NH2+]C1 62910733 343384580 /nfs/dbraw/zinc/38/45/80/343384580.db2.gz UVCBSEFEHZOPLQ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(CN2CCCC2)CC[NH2+]C1 62910717 343384591 /nfs/dbraw/zinc/38/45/91/343384591.db2.gz JEMBUSDXMQXSDB-LLVKDONJSA-N 1 3 182.311 1.472 10 0 ADAEHO C[C@@]1(CNC2CCC2)CC[NH2+]C1 62912378 343384634 /nfs/dbraw/zinc/38/46/34/343384634.db2.gz IWDOTOWCRPQXHP-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@]1(C)CC[NH2+]C1 62912185 343384648 /nfs/dbraw/zinc/38/46/48/343384648.db2.gz HNLLFOFKVZEZAX-ONGXEEELSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@H]1NC[C@@]1(C)CC[NH2+]C1 62912186 343384722 /nfs/dbraw/zinc/38/47/22/343384722.db2.gz HNLLFOFKVZEZAX-KOLCDFICSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@]1(C)CC[NH2+]C1 62912183 343384732 /nfs/dbraw/zinc/38/47/32/343384732.db2.gz HNLLFOFKVZEZAX-GXSJLCMTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@]1(CN2CCCCC2)CC[NH2+]C1 62910936 343384775 /nfs/dbraw/zinc/38/47/75/343384775.db2.gz QPNXJEKMTDCAPD-NSHDSACASA-N 1 3 182.311 1.472 10 0 ADAEHO C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 62911504 343384780 /nfs/dbraw/zinc/38/47/80/343384780.db2.gz IWQYSHFWXCWFJM-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@]1(CN2CCCC2)CC[NH2+]C1 62910716 343384801 /nfs/dbraw/zinc/38/48/01/343384801.db2.gz JEMBUSDXMQXSDB-NSHDSACASA-N 1 3 182.311 1.472 10 0 ADAEHO CC1(C)C[C@H]1NC[C@]1(C)CC[NH2+]C1 62912184 343384807 /nfs/dbraw/zinc/38/48/07/343384807.db2.gz HNLLFOFKVZEZAX-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C)NC1 62948744 343387007 /nfs/dbraw/zinc/38/70/07/343387007.db2.gz OSMBXWSSGHOJEN-VWYCJHECSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)NC1 62948744 343387010 /nfs/dbraw/zinc/38/70/10/343387010.db2.gz OSMBXWSSGHOJEN-VWYCJHECSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C)NC1 62948746 343387068 /nfs/dbraw/zinc/38/70/68/343387068.db2.gz OSMBXWSSGHOJEN-OUAUKWLOSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C)NC1 62948746 343387072 /nfs/dbraw/zinc/38/70/72/343387072.db2.gz OSMBXWSSGHOJEN-OUAUKWLOSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)C2)CN1 62948760 343387338 /nfs/dbraw/zinc/38/73/38/343387338.db2.gz YLLAKCSMWLWGRQ-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](C)C2)CN1 62948760 343387341 /nfs/dbraw/zinc/38/73/41/343387341.db2.gz YLLAKCSMWLWGRQ-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H](N)C[NH+]1CCC2(CCCC2)CC1 62953576 343388228 /nfs/dbraw/zinc/38/82/28/343388228.db2.gz BDOQULAUNLFRIE-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(=[NH2+])N(C)C1CCN(C)CC1 62987079 343389823 /nfs/dbraw/zinc/38/98/23/343389823.db2.gz UFRTYCDLSPZCBX-UHFFFAOYSA-N 1 3 169.272 1.010 10 0 ADAEHO CC(=[NH2+])N1CCC(N(C)C)CC1 62987199 343390257 /nfs/dbraw/zinc/39/02/57/343390257.db2.gz IZYHMWHBWLKXKK-UHFFFAOYSA-N 1 3 169.272 1.010 10 0 ADAEHO CC(=[NH2+])N[C@H]1CCN2CCCC[C@H]12 62987524 343391048 /nfs/dbraw/zinc/39/10/48/343391048.db2.gz GHSUMXVUYCDVFH-VHSXEESVSA-N 1 3 181.283 1.200 10 0 ADAEHO CC(=[NH2+])N[C@H](C)CN1CCCC1 62987516 343391075 /nfs/dbraw/zinc/39/10/75/343391075.db2.gz HPGZQLJVTQGEFX-MRVPVSSYSA-N 1 3 169.272 1.057 10 0 ADAEHO CC(=[NH2+])N1CC[C@@H](N2CCCCC2)C1 62987650 343391087 /nfs/dbraw/zinc/39/10/87/343391087.db2.gz JKZXGTGCQVERHV-LLVKDONJSA-N 1 3 195.310 1.544 10 0 ADAEHO CC(=[NH2+])N[C@@H]1CCN2CCCC[C@H]12 62987523 343391114 /nfs/dbraw/zinc/39/11/14/343391114.db2.gz GHSUMXVUYCDVFH-NXEZZACHSA-N 1 3 181.283 1.200 10 0 ADAEHO CC(=[NH2+])N1CC[C@H](N2CCCC2)C1 62987619 343391143 /nfs/dbraw/zinc/39/11/43/343391143.db2.gz NEMOWLUCAFFJCO-JTQLQIEISA-N 1 3 181.283 1.154 10 0 ADAEHO CC(=[NH2+])N[C@@H](C)CN1CCCC1 62987515 343391168 /nfs/dbraw/zinc/39/11/68/343391168.db2.gz HPGZQLJVTQGEFX-QMMMGPOBSA-N 1 3 169.272 1.057 10 0 ADAEHO CC(=[NH2+])N1CC[C@H](N2CCCCC2)C1 62987649 343391225 /nfs/dbraw/zinc/39/12/25/343391225.db2.gz JKZXGTGCQVERHV-NSHDSACASA-N 1 3 195.310 1.544 10 0 ADAEHO CC(=[NH2+])N1CC[C@@H](N2CCCC2)C1 62987620 343391250 /nfs/dbraw/zinc/39/12/50/343391250.db2.gz NEMOWLUCAFFJCO-SNVBAGLBSA-N 1 3 181.283 1.154 10 0 ADAEHO CN1CCC(NC(=[NH2+])C2CC2)CC1 62990263 343393211 /nfs/dbraw/zinc/39/32/11/343393211.db2.gz IFEBTGZAMVVHNL-UHFFFAOYSA-N 1 3 181.283 1.057 10 0 ADAEHO CCCC(=[NH2+])NC1CCN(C)CC1 62990261 343393249 /nfs/dbraw/zinc/39/32/49/343393249.db2.gz GINIAMHMKNCQNN-UHFFFAOYSA-N 1 3 183.299 1.448 10 0 ADAEHO CC(C)C(=[NH2+])NC1CCN(C)CC1 62990262 343393293 /nfs/dbraw/zinc/39/32/93/343393293.db2.gz ZESSXTDFGNSFFL-UHFFFAOYSA-N 1 3 183.299 1.303 10 0 ADAEHO CCC(=[NH2+])NC1CCN(C)CC1 62990260 343393353 /nfs/dbraw/zinc/39/33/53/343393353.db2.gz VXCJTTDGLXFRPC-UHFFFAOYSA-N 1 3 169.272 1.057 10 0 ADAEHO CN(C)C1CCN(C(=[NH2+])C2CC2)CC1 62990623 343393616 /nfs/dbraw/zinc/39/36/16/343393616.db2.gz NSSNLYBJMMARIJ-UHFFFAOYSA-N 1 3 195.310 1.400 10 0 ADAEHO CCC(=[NH2+])N1CC[C@@H](N2CCCC2)C1 62994098 343394991 /nfs/dbraw/zinc/39/49/91/343394991.db2.gz UQLKNHUGXXFGGW-SNVBAGLBSA-N 1 3 195.310 1.544 10 0 ADAEHO CCC(=[NH2+])N1CC[C@H](N2CCCC2)C1 62994097 343395068 /nfs/dbraw/zinc/39/50/68/343395068.db2.gz UQLKNHUGXXFGGW-JTQLQIEISA-N 1 3 195.310 1.544 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN2CCCC[C@H]12 62993317 343395089 /nfs/dbraw/zinc/39/50/89/343395089.db2.gz ISZRZQQIXOOJJV-NXEZZACHSA-N 1 3 195.310 1.590 10 0 ADAEHO C[C@@H](N)CC[N@@H+]1CCCC1(C)C 63066899 343399506 /nfs/dbraw/zinc/39/95/06/343399506.db2.gz ORHJJGPTQNGOOU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)CC[N@H+]1CCCC1(C)C 63066899 343399508 /nfs/dbraw/zinc/39/95/08/343399508.db2.gz ORHJJGPTQNGOOU-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CNCC[N@@H+]1CCCC1(C)C 63066851 343399582 /nfs/dbraw/zinc/39/95/82/343399582.db2.gz WZMNKYWTWHWIEO-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CNCC[N@H+]1CCCC1(C)C 63066851 343399583 /nfs/dbraw/zinc/39/95/83/343399583.db2.gz WZMNKYWTWHWIEO-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCC1(C)C 63066048 343399589 /nfs/dbraw/zinc/39/95/89/343399589.db2.gz UOOVSWIXKBNEPH-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCC1(C)C 63066048 343399590 /nfs/dbraw/zinc/39/95/90/343399590.db2.gz UOOVSWIXKBNEPH-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CCCC1(C)C 63066898 343399674 /nfs/dbraw/zinc/39/96/74/343399674.db2.gz ORHJJGPTQNGOOU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[N@H+]1CCCC1(C)C 63066898 343399675 /nfs/dbraw/zinc/39/96/75/343399675.db2.gz ORHJJGPTQNGOOU-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCCC1(C)C 63066049 343399719 /nfs/dbraw/zinc/39/97/19/343399719.db2.gz UOOVSWIXKBNEPH-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCCC1(C)C 63066049 343399721 /nfs/dbraw/zinc/39/97/21/343399721.db2.gz UOOVSWIXKBNEPH-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC1(C)CCC[N@@H+]1CCCN 63066095 343399859 /nfs/dbraw/zinc/39/98/59/343399859.db2.gz SNSFWSBQAZMXMN-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CC1(C)CCC[N@H+]1CCCN 63066095 343399861 /nfs/dbraw/zinc/39/98/61/343399861.db2.gz SNSFWSBQAZMXMN-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@H]1CCC[C@@H]1N 63073267 343400950 /nfs/dbraw/zinc/40/09/50/343400950.db2.gz GIIJVZPRQMHCPY-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@H]1CCC[C@@H]1N 63073267 343400951 /nfs/dbraw/zinc/40/09/51/343400951.db2.gz GIIJVZPRQMHCPY-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@@H]1CCC[C@@H]1N 63073266 343401025 /nfs/dbraw/zinc/40/10/25/343401025.db2.gz GIIJVZPRQMHCPY-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@@H]1CCC[C@@H]1N 63073266 343401027 /nfs/dbraw/zinc/40/10/27/343401027.db2.gz GIIJVZPRQMHCPY-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]([NH3+])CCNc1ccncc1 63171671 343403974 /nfs/dbraw/zinc/40/39/74/343403974.db2.gz YOCSXRRBLMVQKO-MRVPVSSYSA-N 1 3 165.240 1.231 10 0 ADAEHO C[C@H]([NH3+])CCNc1ccncc1 63171670 343404051 /nfs/dbraw/zinc/40/40/51/343404051.db2.gz YOCSXRRBLMVQKO-QMMMGPOBSA-N 1 3 165.240 1.231 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1Nc1ccncc1 63177579 343405353 /nfs/dbraw/zinc/40/53/53/343405353.db2.gz UAFJPHQEGJVSRO-UWVGGRQHSA-N 1 3 177.251 1.373 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1Nc1ccncc1 63177577 343405450 /nfs/dbraw/zinc/40/54/50/343405450.db2.gz UAFJPHQEGJVSRO-VHSXEESVSA-N 1 3 177.251 1.373 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1Nc1ccncc1 63177583 343405504 /nfs/dbraw/zinc/40/55/04/343405504.db2.gz UAFJPHQEGJVSRO-ZJUUUORDSA-N 1 3 177.251 1.373 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1Nc1ccncc1 63177581 343405689 /nfs/dbraw/zinc/40/56/89/343405689.db2.gz UAFJPHQEGJVSRO-NXEZZACHSA-N 1 3 177.251 1.373 10 0 ADAEHO C[C@H]1CCCN1C[C@H]([NH3+])C1CC1 68894709 343414054 /nfs/dbraw/zinc/41/40/54/343414054.db2.gz FMIBTBLLZOZFTP-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CSCCN1CC[C@H]([NH3+])[C@H](C)C1 69012069 343420577 /nfs/dbraw/zinc/42/05/77/343420577.db2.gz WYJMSZZREJPCLU-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO CSCCN1CC[C@H]([NH3+])[C@@H](C)C1 69012071 343420742 /nfs/dbraw/zinc/42/07/42/343420742.db2.gz WYJMSZZREJPCLU-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO CCCN1CCC(=CC[NH3+])CC1 69049611 343424167 /nfs/dbraw/zinc/42/41/67/343424167.db2.gz UTVWIYYZKGNTOB-UHFFFAOYSA-N 1 3 168.284 1.377 10 0 ADAEHO CC(C)N1CCC(=CC[NH3+])CC1 69049760 343424401 /nfs/dbraw/zinc/42/44/01/343424401.db2.gz AAPKATDKKCJSIS-UHFFFAOYSA-N 1 3 168.284 1.376 10 0 ADAEHO C[C@@H](CC1CC1)[N@@H+]1CC[C@H](N)[C@H](C)C1 69666561 343431742 /nfs/dbraw/zinc/43/17/42/343431742.db2.gz YYAAGNNUPHMJBO-SCVCMEIPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CC1CC1)[N@H+]1CC[C@H](N)[C@H](C)C1 69666561 343431744 /nfs/dbraw/zinc/43/17/44/343431744.db2.gz YYAAGNNUPHMJBO-SCVCMEIPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CC1CC1)N1CC[C@H]([NH3+])[C@H](C)C1 69666561 343431747 /nfs/dbraw/zinc/43/17/47/343431747.db2.gz YYAAGNNUPHMJBO-SCVCMEIPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](CC1CC1)[NH+]1CCCNCCC1 69669796 343431861 /nfs/dbraw/zinc/43/18/61/343431861.db2.gz QKYYHENMXJJUJP-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H](CC1CC1)[NH+]1CCC(N)CC1 69666555 343431900 /nfs/dbraw/zinc/43/19/00/343431900.db2.gz CXVNLQZCPBUHFE-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](CC1CC1)N1CCC([NH3+])CC1 69666555 343431903 /nfs/dbraw/zinc/43/19/03/343431903.db2.gz CXVNLQZCPBUHFE-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](CC1CC1)[NH+]1CCC(N)CC1 69666558 343431915 /nfs/dbraw/zinc/43/19/15/343431915.db2.gz CXVNLQZCPBUHFE-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](CC1CC1)N1CCC([NH3+])CC1 69666558 343431917 /nfs/dbraw/zinc/43/19/17/343431917.db2.gz CXVNLQZCPBUHFE-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](CC1CC1)[NH+]1CCCNCCC1 69669792 343432022 /nfs/dbraw/zinc/43/20/22/343432022.db2.gz QKYYHENMXJJUJP-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO c1cc(N[C@@H]2CCCC[NH2+]C2)ccn1 69683954 343434228 /nfs/dbraw/zinc/43/42/28/343434228.db2.gz SVHCDJCUCXKMGY-LLVKDONJSA-N 1 3 191.278 1.636 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1N 69718130 343435706 /nfs/dbraw/zinc/43/57/06/343435706.db2.gz VWRSVFNKOKXVKN-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1N 69718130 343435707 /nfs/dbraw/zinc/43/57/07/343435707.db2.gz VWRSVFNKOKXVKN-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1N 69718131 343435759 /nfs/dbraw/zinc/43/57/59/343435759.db2.gz VWRSVFNKOKXVKN-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[N@H+](C2CCC2)C[C@@H]1N 69718131 343435762 /nfs/dbraw/zinc/43/57/62/343435762.db2.gz VWRSVFNKOKXVKN-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 69718212 343435822 /nfs/dbraw/zinc/43/58/22/343435822.db2.gz SRONFJIUDMTGPX-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@@H](C)[C@H](N)C1 69718212 343435823 /nfs/dbraw/zinc/43/58/23/343435823.db2.gz SRONFJIUDMTGPX-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+]1CC[C@H](C)[C@H](N)C1 69718210 343435834 /nfs/dbraw/zinc/43/58/34/343435834.db2.gz SRONFJIUDMTGPX-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@H](C)[C@H](N)C1 69718210 343435837 /nfs/dbraw/zinc/43/58/37/343435837.db2.gz SRONFJIUDMTGPX-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCN(c2ccncc2)C[C@@H]1[NH3+] 69720504 343436807 /nfs/dbraw/zinc/43/68/07/343436807.db2.gz DATIARSXYYJRDW-ONGXEEELSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@@H]1CCN(c2ccncc2)C[C@@H]1[NH3+] 69720502 343436852 /nfs/dbraw/zinc/43/68/52/343436852.db2.gz DATIARSXYYJRDW-KOLCDFICSA-N 1 3 191.278 1.255 10 0 ADAEHO NCC[C@H]1CCCC[N@@H+]1C1CCC1 69720635 343437228 /nfs/dbraw/zinc/43/72/28/343437228.db2.gz OISGSWLUJABEDK-LLVKDONJSA-N 1 3 182.311 1.742 10 0 ADAEHO NCC[C@H]1CCCC[N@H+]1C1CCC1 69720635 343437230 /nfs/dbraw/zinc/43/72/30/343437230.db2.gz OISGSWLUJABEDK-LLVKDONJSA-N 1 3 182.311 1.742 10 0 ADAEHO NCC[C@@H]1CCCC[N@@H+]1C1CCC1 69720633 343437274 /nfs/dbraw/zinc/43/72/74/343437274.db2.gz OISGSWLUJABEDK-NSHDSACASA-N 1 3 182.311 1.742 10 0 ADAEHO NCC[C@@H]1CCCC[N@H+]1C1CCC1 69720633 343437276 /nfs/dbraw/zinc/43/72/76/343437276.db2.gz OISGSWLUJABEDK-NSHDSACASA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1C1CCC1 69727622 343438024 /nfs/dbraw/zinc/43/80/24/343438024.db2.gz WZKUOEUGFNVYSP-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1C1CCC1 69727622 343438028 /nfs/dbraw/zinc/43/80/28/343438028.db2.gz WZKUOEUGFNVYSP-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1C1CCCC1 69727952 343438175 /nfs/dbraw/zinc/43/81/75/343438175.db2.gz RQMIYDDXDAMHHE-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1C1CCCC1 69727952 343438178 /nfs/dbraw/zinc/43/81/78/343438178.db2.gz RQMIYDDXDAMHHE-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1C1CCC1 69727627 343438297 /nfs/dbraw/zinc/43/82/97/343438297.db2.gz WZKUOEUGFNVYSP-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1C1CCC1 69727627 343438300 /nfs/dbraw/zinc/43/83/00/343438300.db2.gz WZKUOEUGFNVYSP-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1C1CCCC1 69727948 343438308 /nfs/dbraw/zinc/43/83/08/343438308.db2.gz RQMIYDDXDAMHHE-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1C1CCCC1 69727948 343438310 /nfs/dbraw/zinc/43/83/10/343438310.db2.gz RQMIYDDXDAMHHE-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1C1CCCC1 69727951 343438406 /nfs/dbraw/zinc/43/84/06/343438406.db2.gz RQMIYDDXDAMHHE-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1C1CCCC1 69727951 343438410 /nfs/dbraw/zinc/43/84/10/343438410.db2.gz RQMIYDDXDAMHHE-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1C1CCC1 69727626 343438443 /nfs/dbraw/zinc/43/84/43/343438443.db2.gz WZKUOEUGFNVYSP-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1C1CCC1 69727626 343438445 /nfs/dbraw/zinc/43/84/45/343438445.db2.gz WZKUOEUGFNVYSP-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1C1CCCC1 69727945 343438509 /nfs/dbraw/zinc/43/85/09/343438509.db2.gz RQMIYDDXDAMHHE-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1C1CCCC1 69727945 343438511 /nfs/dbraw/zinc/43/85/11/343438511.db2.gz RQMIYDDXDAMHHE-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](CC[NH3+])N1CCSC[C@@H]1C 69760701 343439218 /nfs/dbraw/zinc/43/92/18/343439218.db2.gz MPAWDKJIDREKHA-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](CC[NH3+])N1CCSC[C@H]1C 69760700 343439279 /nfs/dbraw/zinc/43/92/79/343439279.db2.gz MPAWDKJIDREKHA-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1CSCC[N@@H+]1C(C)(C)CN 69760855 343439326 /nfs/dbraw/zinc/43/93/26/343439326.db2.gz NCXXHSIBKHFFJG-QMMMGPOBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1CSCC[N@H+]1C(C)(C)CN 69760855 343439329 /nfs/dbraw/zinc/43/93/29/343439329.db2.gz NCXXHSIBKHFFJG-QMMMGPOBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](CN)[N@H+]1CCSC[C@@H]1C 69760692 343439344 /nfs/dbraw/zinc/43/93/44/343439344.db2.gz IPWWIUPHHDSVKE-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](CN)[N@@H+]1CCSC[C@@H]1C 69760693 343439500 /nfs/dbraw/zinc/43/95/00/343439500.db2.gz IPWWIUPHHDSVKE-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@H](CN)[N@H+]1CCSC[C@@H]1C 69760693 343439502 /nfs/dbraw/zinc/43/95/02/343439502.db2.gz IPWWIUPHHDSVKE-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1CSCC[N@@H+]1C(C)(C)CN 69760854 343439517 /nfs/dbraw/zinc/43/95/17/343439517.db2.gz NCXXHSIBKHFFJG-MRVPVSSYSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1CSCC[N@H+]1C(C)(C)CN 69760854 343439518 /nfs/dbraw/zinc/43/95/18/343439518.db2.gz NCXXHSIBKHFFJG-MRVPVSSYSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCSC[C@H]1C 69762582 343439980 /nfs/dbraw/zinc/43/99/80/343439980.db2.gz IWJBNDBCUYHILS-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1CSCCN1CC[C@@H](C)[NH3+] 69762584 343440104 /nfs/dbraw/zinc/44/01/04/343440104.db2.gz IWJBNDBCUYHILS-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCCC(C)(C)C1 69792846 343441484 /nfs/dbraw/zinc/44/14/84/343441484.db2.gz QLNWUTKKSITWGP-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCCC(C)(C)C1 69792846 343441487 /nfs/dbraw/zinc/44/14/87/343441487.db2.gz QLNWUTKKSITWGP-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H](C[NH3+])CN1CCCC(C)(C)C1 69792846 343441489 /nfs/dbraw/zinc/44/14/89/343441489.db2.gz QLNWUTKKSITWGP-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCC(C)(C)C1 69792858 343441714 /nfs/dbraw/zinc/44/17/14/343441714.db2.gz AKHRTIKWGGLOSP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCC(C)(C)C1 69792858 343441716 /nfs/dbraw/zinc/44/17/16/343441716.db2.gz AKHRTIKWGGLOSP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CC[NH3+])N1CCCC(C)(C)C1 69792858 343441718 /nfs/dbraw/zinc/44/17/18/343441718.db2.gz AKHRTIKWGGLOSP-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCCC(C)(C)C1 69792860 343441798 /nfs/dbraw/zinc/44/17/98/343441798.db2.gz AKHRTIKWGGLOSP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCCC(C)(C)C1 69792860 343441799 /nfs/dbraw/zinc/44/17/99/343441799.db2.gz AKHRTIKWGGLOSP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CC[NH3+])N1CCCC(C)(C)C1 69792860 343441803 /nfs/dbraw/zinc/44/18/03/343441803.db2.gz AKHRTIKWGGLOSP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCCC(C)(C)C1 69792844 343441837 /nfs/dbraw/zinc/44/18/37/343441837.db2.gz QLNWUTKKSITWGP-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCCC(C)(C)C1 69792844 343441839 /nfs/dbraw/zinc/44/18/39/343441839.db2.gz QLNWUTKKSITWGP-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H](C[NH3+])CN1CCCC(C)(C)C1 69792844 343441842 /nfs/dbraw/zinc/44/18/42/343441842.db2.gz QLNWUTKKSITWGP-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC1(C)CCCN(C2CC[NH2+]CC2)C1 69793403 343441947 /nfs/dbraw/zinc/44/19/47/343441947.db2.gz JBOHBSPVBUOSBA-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CCCN(CCC(N)=[NH2+])C1 69793434 343442263 /nfs/dbraw/zinc/44/22/63/343442263.db2.gz RIVDUPIOZPDJSZ-UHFFFAOYSA-N 1 3 183.299 1.434 10 0 ADAEHO CC1(C)C[C@](C[NH3+])(NC2CC2)CCO1 69892557 343451590 /nfs/dbraw/zinc/45/15/90/343451590.db2.gz QZZFMSBJNVXBHC-LLVKDONJSA-N 1 3 198.310 1.025 10 0 ADAEHO CC1(C)C[C@@](C[NH3+])(NC2CC2)CCO1 69892555 343451794 /nfs/dbraw/zinc/45/17/94/343451794.db2.gz QZZFMSBJNVXBHC-NSHDSACASA-N 1 3 198.310 1.025 10 0 ADAEHO CC[C@@H]1CCCC[C@]1(N)C[NH3+] 70568384 343493744 /nfs/dbraw/zinc/49/37/44/343493744.db2.gz MMOXEIPDFAWISZ-BDAKNGLRSA-N 1 3 156.273 1.243 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCCC[C@H]1C 69944402 343459128 /nfs/dbraw/zinc/45/91/28/343459128.db2.gz KDOLBSTVHOPXFK-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCCC[C@H]1C 69944402 343459130 /nfs/dbraw/zinc/45/91/30/343459130.db2.gz KDOLBSTVHOPXFK-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCCCC[C@@H]1C 69944404 343459342 /nfs/dbraw/zinc/45/93/42/343459342.db2.gz KDOLBSTVHOPXFK-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCCCC[C@@H]1C 69944404 343459347 /nfs/dbraw/zinc/45/93/47/343459347.db2.gz KDOLBSTVHOPXFK-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)[C@@H]([NH3+])CNc1ccncc1 70010670 343465534 /nfs/dbraw/zinc/46/55/34/343465534.db2.gz MQWLQEOQJPWVRJ-JTQLQIEISA-N 1 3 179.267 1.477 10 0 ADAEHO CC(C)[C@H]([NH3+])CNc1ccncc1 70010666 343465616 /nfs/dbraw/zinc/46/56/16/343465616.db2.gz MQWLQEOQJPWVRJ-SNVBAGLBSA-N 1 3 179.267 1.477 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCNC[C@H]1C 70045666 343468830 /nfs/dbraw/zinc/46/88/30/343468830.db2.gz IEHDFTSDTPBDSZ-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCNC[C@H]1C 70045666 343468831 /nfs/dbraw/zinc/46/88/31/343468831.db2.gz IEHDFTSDTPBDSZ-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCCC1(C)C 70046190 343468840 /nfs/dbraw/zinc/46/88/40/343468840.db2.gz AFGYMRJWOKUFEP-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC1CC[NH+]([C@H]2CCNC[C@H]2C)CC1 70045447 343468861 /nfs/dbraw/zinc/46/88/61/343468861.db2.gz VAAOTAASTQRJKI-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CCCC1(C)C 70046191 343468873 /nfs/dbraw/zinc/46/88/73/343468873.db2.gz AFGYMRJWOKUFEP-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CCCC1(C)C 70046191 343468874 /nfs/dbraw/zinc/46/88/74/343468874.db2.gz AFGYMRJWOKUFEP-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@H]1CCNC[C@@H]1C 70045664 343468889 /nfs/dbraw/zinc/46/88/89/343468889.db2.gz IEHDFTSDTPBDSZ-SRVKXCTJSA-N 1 3 198.354 1.961 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045664 343468891 /nfs/dbraw/zinc/46/88/91/343468891.db2.gz IEHDFTSDTPBDSZ-SRVKXCTJSA-N 1 3 198.354 1.961 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCNC[C@@H]2C)CC1 70045443 343468937 /nfs/dbraw/zinc/46/89/37/343468937.db2.gz VAAOTAASTQRJKI-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH+]1CCCCCC1 70045504 343468941 /nfs/dbraw/zinc/46/89/41/343468941.db2.gz MHHKTNIEDUPMIY-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCNC[C@H]2C)CC1 70045446 343468978 /nfs/dbraw/zinc/46/89/78/343468978.db2.gz VAAOTAASTQRJKI-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@H]1CCNC[C@H]1C 70045663 343468986 /nfs/dbraw/zinc/46/89/86/343468986.db2.gz IEHDFTSDTPBDSZ-WOPDTQHZSA-N 1 3 198.354 1.961 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCNC[C@H]1C 70045663 343468988 /nfs/dbraw/zinc/46/89/88/343468988.db2.gz IEHDFTSDTPBDSZ-WOPDTQHZSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH+]1CCCCCC1 70045505 343469013 /nfs/dbraw/zinc/46/90/13/343469013.db2.gz MHHKTNIEDUPMIY-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH+]1CCCC1 70045454 343469022 /nfs/dbraw/zinc/46/90/22/343469022.db2.gz LYEIRPAJLQVCSL-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH+]1CCCCCC1 70045502 343469034 /nfs/dbraw/zinc/46/90/34/343469034.db2.gz MHHKTNIEDUPMIY-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1CC[NH+]([C@H]2CCNC[C@@H]2C)CC1 70045444 343469049 /nfs/dbraw/zinc/46/90/49/343469049.db2.gz VAAOTAASTQRJKI-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCNC[C@@H]1C 70045560 343469059 /nfs/dbraw/zinc/46/90/59/343469059.db2.gz KPZBXPGXDUWNLU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCNC[C@@H]1C 70045560 343469062 /nfs/dbraw/zinc/46/90/62/343469062.db2.gz KPZBXPGXDUWNLU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CC[C@@H](C)C1 70045756 343469090 /nfs/dbraw/zinc/46/90/90/343469090.db2.gz CINOQYYQPCWTKY-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CC[C@@H](C)C1 70045756 343469092 /nfs/dbraw/zinc/46/90/92/343469092.db2.gz CINOQYYQPCWTKY-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045667 343469107 /nfs/dbraw/zinc/46/91/07/343469107.db2.gz IEHDFTSDTPBDSZ-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045667 343469110 /nfs/dbraw/zinc/46/91/10/343469110.db2.gz IEHDFTSDTPBDSZ-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045522 343469118 /nfs/dbraw/zinc/46/91/18/343469118.db2.gz ZZGDBRWOBXZFBR-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045522 343469120 /nfs/dbraw/zinc/46/91/20/343469120.db2.gz ZZGDBRWOBXZFBR-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCCC1(C)C 70046192 343469129 /nfs/dbraw/zinc/46/91/29/343469129.db2.gz AFGYMRJWOKUFEP-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCCC1(C)C 70046192 343469132 /nfs/dbraw/zinc/46/91/32/343469132.db2.gz AFGYMRJWOKUFEP-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCNC[C@H]1C 70045520 343469185 /nfs/dbraw/zinc/46/91/85/343469185.db2.gz ZZGDBRWOBXZFBR-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCNC[C@H]1C 70045520 343469188 /nfs/dbraw/zinc/46/91/88/343469188.db2.gz ZZGDBRWOBXZFBR-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCNC[C@@H]1C 70045518 343469196 /nfs/dbraw/zinc/46/91/96/343469196.db2.gz ZZGDBRWOBXZFBR-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045518 343469200 /nfs/dbraw/zinc/46/92/00/343469200.db2.gz ZZGDBRWOBXZFBR-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCNC[C@@H]1C 70045558 343469224 /nfs/dbraw/zinc/46/92/24/343469224.db2.gz KPZBXPGXDUWNLU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCNC[C@@H]1C 70045558 343469226 /nfs/dbraw/zinc/46/92/26/343469226.db2.gz KPZBXPGXDUWNLU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH+]1CCCCCC1 70045501 343469249 /nfs/dbraw/zinc/46/92/49/343469249.db2.gz MHHKTNIEDUPMIY-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCC[C@@H](C)C1 70045497 343469258 /nfs/dbraw/zinc/46/92/58/343469258.db2.gz XHFGHCZMJJPIGD-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045592 343469283 /nfs/dbraw/zinc/46/92/83/343469283.db2.gz IPXQKVJVHBXFEY-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCC[C@@H](C)C1 70045497 343469261 /nfs/dbraw/zinc/46/92/61/343469261.db2.gz XHFGHCZMJJPIGD-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH+]1CCCC1 70045451 343469268 /nfs/dbraw/zinc/46/92/68/343469268.db2.gz LYEIRPAJLQVCSL-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045592 343469279 /nfs/dbraw/zinc/46/92/79/343469279.db2.gz IPXQKVJVHBXFEY-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH+]1CCCCC1 70536060 343489503 /nfs/dbraw/zinc/48/95/03/343489503.db2.gz OGXZDQYLOGRRLH-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH+]1CCCCC1 70536058 343489729 /nfs/dbraw/zinc/48/97/29/343489729.db2.gz OGXZDQYLOGRRLH-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H](CC1CC1)N1CC[C@H]([NH3+])C1 70559244 343490040 /nfs/dbraw/zinc/49/00/40/343490040.db2.gz AHHXOFPFDNLGBB-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H](CC1CC1)N1CC[C@H]([NH3+])C1 70559243 343490377 /nfs/dbraw/zinc/49/03/77/343490377.db2.gz AHHXOFPFDNLGBB-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1CCC[C@](N)(C[NH3+])C1 70563127 343491682 /nfs/dbraw/zinc/49/16/82/343491682.db2.gz OWKJEGJXRSPWOM-RKDXNWHRSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@H]1CCC[C@](N)(C[NH3+])C1 70563128 343491819 /nfs/dbraw/zinc/49/18/19/343491819.db2.gz OWKJEGJXRSPWOM-DTWKUNHWSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@@H]1CCC[C@@](N)(C[NH3+])C1 70563129 343491862 /nfs/dbraw/zinc/49/18/62/343491862.db2.gz OWKJEGJXRSPWOM-BDAKNGLRSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@H]1CCC[C@@](N)(C[NH3+])C1 70563130 343491869 /nfs/dbraw/zinc/49/18/69/343491869.db2.gz OWKJEGJXRSPWOM-IUCAKERBSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@H]1CCCC[C@@]1(N)C[NH3+] 70568387 343493715 /nfs/dbraw/zinc/49/37/15/343493715.db2.gz MMOXEIPDFAWISZ-DTWKUNHWSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@@H]1CCCC[C@@]1(N)C[NH3+] 70568386 343493823 /nfs/dbraw/zinc/49/38/23/343493823.db2.gz MMOXEIPDFAWISZ-RKDXNWHRSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@H]1CCCC[C@]1(N)C[NH3+] 70568385 343493857 /nfs/dbraw/zinc/49/38/57/343493857.db2.gz MMOXEIPDFAWISZ-IUCAKERBSA-N 1 3 156.273 1.243 10 0 ADAEHO [NH3+][C@@H]1CCCN(C(C2CC2)C2CC2)C1 70586283 343497152 /nfs/dbraw/zinc/49/71/52/343497152.db2.gz AZDOFNKEEAXEEF-LLVKDONJSA-N 1 3 194.322 1.598 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@H](NC2CC2)C1 70584691 343497324 /nfs/dbraw/zinc/49/73/24/343497324.db2.gz GQVABTSUKIANBL-JTQLQIEISA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@H](NC2CC2)C1 70584691 343497325 /nfs/dbraw/zinc/49/73/25/343497325.db2.gz GQVABTSUKIANBL-JTQLQIEISA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@]1(C[NH2+]C2CCCC2)CCCN1 70619682 343504561 /nfs/dbraw/zinc/50/45/61/343504561.db2.gz BVBOFLJTPXZAMA-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@]1(C[NH2+]C2CCCC2)CCCN1 70619681 343504633 /nfs/dbraw/zinc/50/46/33/343504633.db2.gz BVBOFLJTPXZAMA-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C[NH+](C)[C@H]1CC(C)(C)CC[C@@H]1N 70622994 343505583 /nfs/dbraw/zinc/50/55/83/343505583.db2.gz DTDMDXSAPJPVAV-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@@H]1CC(C)(C)CC[C@@H]1N 70622992 343505671 /nfs/dbraw/zinc/50/56/71/343505671.db2.gz DTDMDXSAPJPVAV-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@@H]1CC(C)(C)CC[C@H]1N 70622993 343505762 /nfs/dbraw/zinc/50/57/62/343505762.db2.gz DTDMDXSAPJPVAV-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH+](C)[C@H]1CC(C)(C)CC[C@H]1N 70622995 343505832 /nfs/dbraw/zinc/50/58/32/343505832.db2.gz DTDMDXSAPJPVAV-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)C 70623336 343506077 /nfs/dbraw/zinc/50/60/77/343506077.db2.gz GRWFTTHFEWYFTD-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC1(C)CCC(N2CC[C@@H]([NH3+])C2)CC1 70623266 343506128 /nfs/dbraw/zinc/50/61/28/343506128.db2.gz ICUFONJJNHDSNJ-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(C)C[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623331 343506208 /nfs/dbraw/zinc/50/62/08/343506208.db2.gz ASBMAGVKTJCYMJ-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN(C)C 70623338 343506346 /nfs/dbraw/zinc/50/63/46/343506346.db2.gz GRWFTTHFEWYFTD-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CN(C)C[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 70623332 343506406 /nfs/dbraw/zinc/50/64/06/343506406.db2.gz ASBMAGVKTJCYMJ-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1(C)CCC(N)(C[NH3+])CC1 70623212 343506425 /nfs/dbraw/zinc/50/64/25/343506425.db2.gz ZHDVMPMLHDKRED-UHFFFAOYSA-N 1 3 156.273 1.243 10 0 ADAEHO CN(C)C[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623333 343506434 /nfs/dbraw/zinc/50/64/34/343506434.db2.gz ASBMAGVKTJCYMJ-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(C)C[C@H]1CC(C)(C)CC[C@H]1[NH3+] 70623334 343506441 /nfs/dbraw/zinc/50/64/41/343506441.db2.gz ASBMAGVKTJCYMJ-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN(C)C 70623337 343506495 /nfs/dbraw/zinc/50/64/95/343506495.db2.gz GRWFTTHFEWYFTD-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC1(C)CCC(N2CC[C@H]([NH3+])C2)CC1 70623265 343506456 /nfs/dbraw/zinc/50/64/56/343506456.db2.gz ICUFONJJNHDSNJ-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+][C@H]1CCC(C)(C)C[C@H]1CN(C)C 70623335 343506512 /nfs/dbraw/zinc/50/65/12/343506512.db2.gz GRWFTTHFEWYFTD-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC1(C)CCC[C@](N)(C[NH3+])C1 70629078 343508859 /nfs/dbraw/zinc/50/88/59/343508859.db2.gz JQLVRBZMBKPOHP-SECBINFHSA-N 1 3 156.273 1.243 10 0 ADAEHO CC[C@H]1CC[C@@H](N2CC[C@H]([NH3+])C2)C1 70644869 343515770 /nfs/dbraw/zinc/51/57/70/343515770.db2.gz TTZCUSRRBVQGMT-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CC[C@H](N2CC[C@H]([NH3+])C2)C1 70644867 343515796 /nfs/dbraw/zinc/51/57/96/343515796.db2.gz TTZCUSRRBVQGMT-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](N2CC[C@H]([NH3+])C2)C1 70644873 343515843 /nfs/dbraw/zinc/51/58/43/343515843.db2.gz LDACUOZSTQKMOG-LPEHRKFASA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 70644808 343515885 /nfs/dbraw/zinc/51/58/85/343515885.db2.gz HGHDEWXMSOOFRQ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@H]([NH3+])C2)C1 70644870 343515901 /nfs/dbraw/zinc/51/59/01/343515901.db2.gz LDACUOZSTQKMOG-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CN)C2)C1 70644874 343515946 /nfs/dbraw/zinc/51/59/46/343515946.db2.gz CTYQLDHEBSYHPY-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@H+]2CC[C@H](CN)C2)C1 70644874 343515950 /nfs/dbraw/zinc/51/59/50/343515950.db2.gz CTYQLDHEBSYHPY-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH+]2CCC(N)CC2)C1 70644806 343515971 /nfs/dbraw/zinc/51/59/71/343515971.db2.gz HGHDEWXMSOOFRQ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[C@H](N2CCC([NH3+])CC2)C1 70644806 343515974 /nfs/dbraw/zinc/51/59/74/343515974.db2.gz HGHDEWXMSOOFRQ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[C@@H](N2CC[C@H]([NH3+])C2)C1 70644868 343516002 /nfs/dbraw/zinc/51/60/02/343516002.db2.gz TTZCUSRRBVQGMT-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH+]2CCC(N)CC2)C1 70644812 343516031 /nfs/dbraw/zinc/51/60/31/343516031.db2.gz CVBKWTWICRZJGK-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H]([NH+]2CCC(N)CC2)C1 70644810 343516099 /nfs/dbraw/zinc/51/60/99/343516099.db2.gz CVBKWTWICRZJGK-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H](N2CCC([NH3+])CC2)C1 70644810 343516103 /nfs/dbraw/zinc/51/61/03/343516103.db2.gz CVBKWTWICRZJGK-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@H](N2CC[C@H]([NH3+])C2)C1 70644871 343516142 /nfs/dbraw/zinc/51/61/42/343516142.db2.gz LDACUOZSTQKMOG-GUBZILKMSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H](N2CC[C@H]([NH3+])C2)C1 70644872 343516159 /nfs/dbraw/zinc/51/61/59/343516159.db2.gz LDACUOZSTQKMOG-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1CC[C@@H]([NH+]2CCC(N)CC2)C1 70644809 343516169 /nfs/dbraw/zinc/51/61/69/343516169.db2.gz HGHDEWXMSOOFRQ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 70644809 343516171 /nfs/dbraw/zinc/51/61/71/343516171.db2.gz HGHDEWXMSOOFRQ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[C@H](N2CC[C@H]([NH3+])C2)C1 70644866 343516178 /nfs/dbraw/zinc/51/61/78/343516178.db2.gz TTZCUSRRBVQGMT-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CN)C2)C1 70644878 343516183 /nfs/dbraw/zinc/51/61/83/343516183.db2.gz LRCWVLAQDOLIFT-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)N1CCC[C@H](C(N)=[NH2+])C1 70663800 343523000 /nfs/dbraw/zinc/52/30/00/343523000.db2.gz FQNJLSGIZLGGHX-QMMMGPOBSA-N 1 3 169.272 1.043 10 0 ADAEHO CCCN1CCC[C@H](C(N)=[NH2+])C1 70663783 343523044 /nfs/dbraw/zinc/52/30/44/343523044.db2.gz IIGDQPGVNNSTAA-QMMMGPOBSA-N 1 3 169.272 1.044 10 0 ADAEHO CNC[C@]1([NH3+])CCC[C@H](C)C1 70905947 343540809 /nfs/dbraw/zinc/54/08/09/343540809.db2.gz PDOFWGWTBTZXFT-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+]C[C@@H]1CCN(c2ccncc2)C1 70800378 343532207 /nfs/dbraw/zinc/53/22/07/343532207.db2.gz PRYOTPQXFAOJHP-JTQLQIEISA-N 1 3 191.278 1.127 10 0 ADAEHO C[NH2+]C[C@H]1CCN(c2ccncc2)C1 70800380 343532224 /nfs/dbraw/zinc/53/22/24/343532224.db2.gz PRYOTPQXFAOJHP-SNVBAGLBSA-N 1 3 191.278 1.127 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH+]1CCC(N)CC1 70831949 343534689 /nfs/dbraw/zinc/53/46/89/343534689.db2.gz MVWHENHAWOTNAM-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[C@H]1N1CCC([NH3+])CC1 70831949 343534692 /nfs/dbraw/zinc/53/46/92/343534692.db2.gz MVWHENHAWOTNAM-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@H]1[NH+]1CCC(N)CC1 70831944 343534778 /nfs/dbraw/zinc/53/47/78/343534778.db2.gz MVWHENHAWOTNAM-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@H]1N1CCC([NH3+])CC1 70831944 343534779 /nfs/dbraw/zinc/53/47/79/343534779.db2.gz MVWHENHAWOTNAM-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH+]1CCC(N)CC1 70831940 343534791 /nfs/dbraw/zinc/53/47/91/343534791.db2.gz MVWHENHAWOTNAM-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[C@@H]1N1CCC([NH3+])CC1 70831940 343534792 /nfs/dbraw/zinc/53/47/92/343534792.db2.gz MVWHENHAWOTNAM-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](CN)C1 70832102 343534811 /nfs/dbraw/zinc/53/48/11/343534811.db2.gz HSEBFRIZPKYULR-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](CN)C1 70832102 343534813 /nfs/dbraw/zinc/53/48/13/343534813.db2.gz HSEBFRIZPKYULR-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH+]1CCC(N)CC1 70831938 343534823 /nfs/dbraw/zinc/53/48/23/343534823.db2.gz MVWHENHAWOTNAM-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@@H]1N1CCC([NH3+])CC1 70831938 343534824 /nfs/dbraw/zinc/53/48/24/343534824.db2.gz MVWHENHAWOTNAM-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](CN)C1 70832097 343534916 /nfs/dbraw/zinc/53/49/16/343534916.db2.gz HSEBFRIZPKYULR-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](CN)C1 70832097 343534918 /nfs/dbraw/zinc/53/49/18/343534918.db2.gz HSEBFRIZPKYULR-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH+]1CCCNCCC1 70834676 343535630 /nfs/dbraw/zinc/53/56/30/343535630.db2.gz MVBMBJVSKNNWTP-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH+]1CCCNCCC1 70834684 343535656 /nfs/dbraw/zinc/53/56/56/343535656.db2.gz MVBMBJVSKNNWTP-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH+]1CCCNCCC1 70834679 343535768 /nfs/dbraw/zinc/53/57/68/343535768.db2.gz MVBMBJVSKNNWTP-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCC[C@H]1[NH+]1CCCNCCC1 70834682 343535819 /nfs/dbraw/zinc/53/58/19/343535819.db2.gz MVBMBJVSKNNWTP-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(c1ccncc1)[C@@H]1CC[NH2+]C1 70901482 343540342 /nfs/dbraw/zinc/54/03/42/343540342.db2.gz ZHNAIQORBIKZRI-LLVKDONJSA-N 1 3 191.278 1.270 10 0 ADAEHO CNC[C@@]1([NH3+])CCC[C@H](C)C1 70905939 343540787 /nfs/dbraw/zinc/54/07/87/343540787.db2.gz PDOFWGWTBTZXFT-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H]1CCC[C@@]([NH3+])(CNC2CC2)C1 70905885 343540794 /nfs/dbraw/zinc/54/07/94/343540794.db2.gz SVEIAWDEJSGRGR-ONGXEEELSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@H]1CCC[C@@]([NH3+])(CNC2CC2)C1 70905882 343540803 /nfs/dbraw/zinc/54/08/03/343540803.db2.gz SVEIAWDEJSGRGR-KOLCDFICSA-N 1 3 182.311 1.646 10 0 ADAEHO CCN(c1ccncc1)[C@H]1CC[NH2+]C1 70901493 343540889 /nfs/dbraw/zinc/54/08/89/343540889.db2.gz ZHNAIQORBIKZRI-NSHDSACASA-N 1 3 191.278 1.270 10 0 ADAEHO C[C@@H]1CCC[C@]([NH3+])(CNC2CC2)C1 70905876 343540969 /nfs/dbraw/zinc/54/09/69/343540969.db2.gz SVEIAWDEJSGRGR-MWLCHTKSSA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@H]1CCC[C@]([NH3+])(CNC2CC2)C1 70905879 343541111 /nfs/dbraw/zinc/54/11/11/343541111.db2.gz SVEIAWDEJSGRGR-GXSJLCMTSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[N@H+](C)C[C@@]1(N)CCC[C@H](C)C1 70905339 343541138 /nfs/dbraw/zinc/54/11/38/343541138.db2.gz VHOFOJQFEVBSBD-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)C[C@@]1(N)CCC[C@H](C)C1 70905339 343541141 /nfs/dbraw/zinc/54/11/41/343541141.db2.gz VHOFOJQFEVBSBD-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CNC[C@@]1([NH3+])CCC[C@@H](C)C1 70905935 343541165 /nfs/dbraw/zinc/54/11/65/343541165.db2.gz PDOFWGWTBTZXFT-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[N@H+](C)C[C@]1(N)CCC[C@H](C)C1 70905333 343541219 /nfs/dbraw/zinc/54/12/19/343541219.db2.gz VHOFOJQFEVBSBD-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)C[C@]1(N)CCC[C@H](C)C1 70905333 343541221 /nfs/dbraw/zinc/54/12/21/343541221.db2.gz VHOFOJQFEVBSBD-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CNC[C@]1([NH3+])CCC[C@@H](C)C1 70905943 343541227 /nfs/dbraw/zinc/54/12/27/343541227.db2.gz PDOFWGWTBTZXFT-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO c1cc(N[C@H]2CCC[NH2+]C2)ccn1 70950529 343543569 /nfs/dbraw/zinc/54/35/69/343543569.db2.gz GIRTZPHCSWNEBN-JTQLQIEISA-N 1 3 177.251 1.246 10 0 ADAEHO CC1CC[NH+]([C@@H]2CC[C@H](N)C2)CC1 71499211 343555009 /nfs/dbraw/zinc/55/50/09/343555009.db2.gz ASTJQXCDFXJBNC-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1CC[NH+]([C@H]2CC[C@@H](N)C2)CC1 71499218 343555027 /nfs/dbraw/zinc/55/50/27/343555027.db2.gz ASTJQXCDFXJBNC-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC1CC[NH+]([C@H]2CC[C@H](N)C2)CC1 71499214 343555314 /nfs/dbraw/zinc/55/53/14/343555314.db2.gz ASTJQXCDFXJBNC-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1CC[NH+]([C@@H]2CC[C@@H](N)C2)CC1 71499216 343555370 /nfs/dbraw/zinc/55/53/70/343555370.db2.gz ASTJQXCDFXJBNC-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCC[C@@H](N)C2)CC1 71507419 343555584 /nfs/dbraw/zinc/55/55/84/343555584.db2.gz GJYZMCYCNVIYMF-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1CC[NH+]([C@@H]2CCC[C@H](N)C2)CC1 71507417 343555605 /nfs/dbraw/zinc/55/56/05/343555605.db2.gz GJYZMCYCNVIYMF-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1CC[NH+]([C@H]2CCC[C@@H](N)C2)CC1 71507420 343555629 /nfs/dbraw/zinc/55/56/29/343555629.db2.gz GJYZMCYCNVIYMF-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1CC[NH+]([C@H]2CCC[C@H](N)C2)CC1 71507418 343555733 /nfs/dbraw/zinc/55/57/33/343555733.db2.gz GJYZMCYCNVIYMF-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+]CCCN(C)C(C)(C)C 77261186 343580609 /nfs/dbraw/zinc/58/06/09/343580609.db2.gz CVJLDKIKUUHTIA-UHFFFAOYSA-N 1 3 158.289 1.326 10 0 ADAEHO CNCCC[N@H+](C)C(C)(C)C 77261186 343580606 /nfs/dbraw/zinc/58/06/06/343580606.db2.gz CVJLDKIKUUHTIA-UHFFFAOYSA-N 1 3 158.289 1.326 10 0 ADAEHO CNCCC[N@@H+](C)C(C)(C)C 77261186 343580608 /nfs/dbraw/zinc/58/06/08/343580608.db2.gz CVJLDKIKUUHTIA-UHFFFAOYSA-N 1 3 158.289 1.326 10 0 ADAEHO CC1(C)CCN[C@@H]2CCCC[C@H]2[NH2+]1 79274989 343586878 /nfs/dbraw/zinc/58/68/78/343586878.db2.gz UYWXCFKJZLYAEV-NXEZZACHSA-N 1 3 182.311 1.659 10 0 ADAEHO CC1(C)CC[NH2+][C@@H]2CCCC[C@H]2N1 79274989 343586879 /nfs/dbraw/zinc/58/68/79/343586879.db2.gz UYWXCFKJZLYAEV-NXEZZACHSA-N 1 3 182.311 1.659 10 0 ADAEHO CC1(C)CCN[C@H]2CCCC[C@@H]2[NH2+]1 79274988 343586901 /nfs/dbraw/zinc/58/69/01/343586901.db2.gz UYWXCFKJZLYAEV-UWVGGRQHSA-N 1 3 182.311 1.659 10 0 ADAEHO CC1(C)CC[NH2+][C@H]2CCCC[C@@H]2N1 79274988 343586902 /nfs/dbraw/zinc/58/69/02/343586902.db2.gz UYWXCFKJZLYAEV-UWVGGRQHSA-N 1 3 182.311 1.659 10 0 ADAEHO CCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 79618556 343589909 /nfs/dbraw/zinc/58/99/09/343589909.db2.gz HJXJDTGTZSGOQT-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO CCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 79618553 343589977 /nfs/dbraw/zinc/58/99/77/343589977.db2.gz HJXJDTGTZSGOQT-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO C1=CC[C@H]([NH2+]C2CCNCC2)CC1 84066273 343630342 /nfs/dbraw/zinc/63/03/42/343630342.db2.gz JVLYVHNVQKYBGZ-JTQLQIEISA-N 1 3 180.295 1.437 10 0 ADAEHO C1=CC[C@@H]([NH2+]C2CCNCC2)CC1 84066272 343630448 /nfs/dbraw/zinc/63/04/48/343630448.db2.gz JVLYVHNVQKYBGZ-SNVBAGLBSA-N 1 3 180.295 1.437 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCC[C@@H]1CN 84217314 343632164 /nfs/dbraw/zinc/63/21/64/343632164.db2.gz BTYPESIFEZBUPY-RKDXNWHRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCC[C@H]1CN 84217318 343632169 /nfs/dbraw/zinc/63/21/69/343632169.db2.gz BTYPESIFEZBUPY-DTWKUNHWSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)[NH2+][C@H]1CCC[C@@H]1CN 84217316 343632209 /nfs/dbraw/zinc/63/22/09/343632209.db2.gz BTYPESIFEZBUPY-BDAKNGLRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)[NH2+][C@H]1CCC[C@H]1CN 84217321 343632265 /nfs/dbraw/zinc/63/22/65/343632265.db2.gz BTYPESIFEZBUPY-IUCAKERBSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)CN1CC[C@@H]([NH3+])[C@H]1C 84329181 343634079 /nfs/dbraw/zinc/63/40/79/343634079.db2.gz AJJLMAVYNSDTLV-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)CN1CC[C@@H]([NH3+])[C@@H]1C 84329183 343634088 /nfs/dbraw/zinc/63/40/88/343634088.db2.gz AJJLMAVYNSDTLV-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)CN1CC[C@H]([NH3+])[C@H]1C 84329185 343634271 /nfs/dbraw/zinc/63/42/71/343634271.db2.gz AJJLMAVYNSDTLV-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[NH2+]CCCN(C)c1ccncc1 84446036 343637074 /nfs/dbraw/zinc/63/70/74/343637074.db2.gz AHSVOGAEORROSK-UHFFFAOYSA-N 1 3 179.267 1.127 10 0 ADAEHO c1ccc2c(NC3C[NH2+]C3)ccnc2c1 85256855 343642388 /nfs/dbraw/zinc/64/23/88/343642388.db2.gz CAUURKBIBIGFNY-UHFFFAOYSA-N 1 3 199.257 1.619 10 0 ADAEHO CC[C@H](C)N[C@@H]1CCCC[NH2+]C1 86679262 343653307 /nfs/dbraw/zinc/65/33/07/343653307.db2.gz JMSKRZVMYLQTKO-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@H](C)N[C@@H]1CCCC[NH2+]C1 86679261 343653631 /nfs/dbraw/zinc/65/36/31/343653631.db2.gz JMSKRZVMYLQTKO-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO C1CCC(C[NH2+][C@@H]2CCNC2)C1 86726221 343653898 /nfs/dbraw/zinc/65/38/98/343653898.db2.gz ANPZKPBCBYRJDA-SNVBAGLBSA-N 1 3 168.284 1.128 10 0 ADAEHO C1=CC[C@@H](C[NH2+][C@H]2CCNC2)CC1 86729611 343653979 /nfs/dbraw/zinc/65/39/79/343653979.db2.gz PMSMSOIWZUGSID-MNOVXSKESA-N 1 3 180.295 1.294 10 0 ADAEHO CC[C@@H](C)N[C@H]1CCCC[NH2+]C1 86679264 343654147 /nfs/dbraw/zinc/65/41/47/343654147.db2.gz JMSKRZVMYLQTKO-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO C1=CC[C@H](C[NH2+][C@@H]2CCNC2)CC1 86729608 343654162 /nfs/dbraw/zinc/65/41/62/343654162.db2.gz PMSMSOIWZUGSID-WDEREUQCSA-N 1 3 180.295 1.294 10 0 ADAEHO C1CCC(C[NH2+][C@H]2CCNC2)C1 86726224 343654230 /nfs/dbraw/zinc/65/42/30/343654230.db2.gz ANPZKPBCBYRJDA-JTQLQIEISA-N 1 3 168.284 1.128 10 0 ADAEHO C1=CC[C@H](C[NH2+][C@H]2CCNC2)CC1 86729612 343654243 /nfs/dbraw/zinc/65/42/43/343654243.db2.gz PMSMSOIWZUGSID-QWRGUYRKSA-N 1 3 180.295 1.294 10 0 ADAEHO C1=CC[C@@H](C[NH2+][C@@H]2CCNC2)CC1 86729607 343654280 /nfs/dbraw/zinc/65/42/80/343654280.db2.gz PMSMSOIWZUGSID-GHMZBOCLSA-N 1 3 180.295 1.294 10 0 ADAEHO C1=CC[C@H]([NH2+][C@@H]2CCNC2)CC1 86730773 343654679 /nfs/dbraw/zinc/65/46/79/343654679.db2.gz LYUHTIYZYHOJRV-VHSXEESVSA-N 1 3 166.268 1.047 10 0 ADAEHO C1=CC[C@H]([NH2+][C@H]2CCNC2)CC1 86730776 343654733 /nfs/dbraw/zinc/65/47/33/343654733.db2.gz LYUHTIYZYHOJRV-UWVGGRQHSA-N 1 3 166.268 1.047 10 0 ADAEHO C1=CC[C@@H]([NH2+][C@@H]2CCNC2)CC1 86730768 343654809 /nfs/dbraw/zinc/65/48/09/343654809.db2.gz LYUHTIYZYHOJRV-NXEZZACHSA-N 1 3 166.268 1.047 10 0 ADAEHO CC1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 87255101 343658722 /nfs/dbraw/zinc/65/87/22/343658722.db2.gz FAXDPWTXLUNQLO-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+]C1CCN(CC2CCCC2)CC1 87876321 343665702 /nfs/dbraw/zinc/66/57/02/343665702.db2.gz KWRYCKUORWTAFK-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC1CC[NH+](CC2CCCC2)CC1 87876321 343665703 /nfs/dbraw/zinc/66/57/03/343665703.db2.gz KWRYCKUORWTAFK-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO N[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107127805 343742834 /nfs/dbraw/zinc/74/28/34/343742834.db2.gz ZQJMOOYTHGNJOA-YTWAJWBKSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107127805 343742835 /nfs/dbraw/zinc/74/28/35/343742835.db2.gz ZQJMOOYTHGNJOA-YTWAJWBKSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107127800 343742959 /nfs/dbraw/zinc/74/29/59/343742959.db2.gz ZQJMOOYTHGNJOA-LMLFDSFASA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107127800 343742962 /nfs/dbraw/zinc/74/29/62/343742962.db2.gz ZQJMOOYTHGNJOA-LMLFDSFASA-N 1 3 180.295 1.208 10 0 ADAEHO NC1CC[NH+]([C@@H]2CC[C@H]3C[C@H]32)CC1 107168960 343746192 /nfs/dbraw/zinc/74/61/92/343746192.db2.gz JBOOAXXVLZLPGU-JMJZKYOTSA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+]C1CCN([C@@H]2CC[C@H]3C[C@H]32)CC1 107168960 343746194 /nfs/dbraw/zinc/74/61/94/343746194.db2.gz JBOOAXXVLZLPGU-JMJZKYOTSA-N 1 3 180.295 1.208 10 0 ADAEHO CC(C)N(C1CC[NH2+]CC1)C1CC1 107171032 343746214 /nfs/dbraw/zinc/74/62/14/343746214.db2.gz HYWKVQXTROWOCK-UHFFFAOYSA-N 1 3 182.311 1.611 10 0 ADAEHO C1CNCC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107168997 343746295 /nfs/dbraw/zinc/74/62/95/343746295.db2.gz HSIDRQOBGILQKM-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNCC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107168997 343746299 /nfs/dbraw/zinc/74/62/99/343746299.db2.gz HSIDRQOBGILQKM-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNCC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107168994 343746352 /nfs/dbraw/zinc/74/63/52/343746352.db2.gz HSIDRQOBGILQKM-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO CCc1cc(N2CC[C@H]([NH3+])C2)ccn1 107177737 343746738 /nfs/dbraw/zinc/74/67/38/343746738.db2.gz YSGQAJGTZQQKNN-VIFPVBQESA-N 1 3 191.278 1.181 10 0 ADAEHO CCc1cc(N2CC[C@@H]([NH3+])C2)ccn1 107177740 343746757 /nfs/dbraw/zinc/74/67/57/343746757.db2.gz YSGQAJGTZQQKNN-SECBINFHSA-N 1 3 191.278 1.181 10 0 ADAEHO [NH3+]C1CCN([C@@H]2CCC[C@@H]3C[C@@H]32)CC1 107184209 343747454 /nfs/dbraw/zinc/74/74/54/343747454.db2.gz CIQSHPHQFLZYFR-ADEWGFFLSA-N 1 3 194.322 1.598 10 0 ADAEHO [NH3+]C1CCN([C@@H]2CCC[C@H]3C[C@H]32)CC1 107184216 343747510 /nfs/dbraw/zinc/74/75/10/343747510.db2.gz CIQSHPHQFLZYFR-MVWJERBFSA-N 1 3 194.322 1.598 10 0 ADAEHO [NH3+][C@@H]1CN[C@H](c2ccccc2)C1 107266824 343748399 /nfs/dbraw/zinc/74/83/99/343748399.db2.gz HTIRVJVIYKKJSD-UWVGGRQHSA-N 1 3 162.236 1.048 10 0 ADAEHO [NH3+][C@H]1CN[C@H](c2ccccc2)C1 107266829 343748432 /nfs/dbraw/zinc/74/84/32/343748432.db2.gz HTIRVJVIYKKJSD-ZJUUUORDSA-N 1 3 162.236 1.048 10 0 ADAEHO [NH3+][C@@H]1CN[C@@H](c2ccccc2)C1 107266827 343748492 /nfs/dbraw/zinc/74/84/92/343748492.db2.gz HTIRVJVIYKKJSD-VHSXEESVSA-N 1 3 162.236 1.048 10 0 ADAEHO [NH3+][C@H]1CN[C@@H](c2ccccc2)C1 107266832 343748508 /nfs/dbraw/zinc/74/85/08/343748508.db2.gz HTIRVJVIYKKJSD-NXEZZACHSA-N 1 3 162.236 1.048 10 0 ADAEHO NC1CC([N@@H+]2C[C@H]3CCC[C@H]3C2)C1 126657446 343795307 /nfs/dbraw/zinc/79/53/07/343795307.db2.gz XVULISDBEMNSQO-IXBNRNDTSA-N 1 3 180.295 1.208 10 0 ADAEHO NC1CC([NH+]2C[C@H]3CCC[C@@H]3C2)C1 126657899 343795579 /nfs/dbraw/zinc/79/55/79/343795579.db2.gz XVULISDBEMNSQO-NKVNRFPTSA-N 1 3 180.295 1.208 10 0 ADAEHO NC1CC([NH+]2C[C@@H]3CCC[C@H]3C2)C1 126657691 343795599 /nfs/dbraw/zinc/79/55/99/343795599.db2.gz XVULISDBEMNSQO-SAAXCQNUSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C1CCCC1 126744989 343796396 /nfs/dbraw/zinc/79/63/96/343796396.db2.gz UZPZNOHAHSWIGA-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C1CCCC1 126744989 343796398 /nfs/dbraw/zinc/79/63/98/343796398.db2.gz UZPZNOHAHSWIGA-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C1CCCC1 126744500 343796417 /nfs/dbraw/zinc/79/64/17/343796417.db2.gz UZPZNOHAHSWIGA-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C1CCCC1 126744500 343796419 /nfs/dbraw/zinc/79/64/19/343796419.db2.gz UZPZNOHAHSWIGA-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1C1CCCC1 126745237 343796430 /nfs/dbraw/zinc/79/64/30/343796430.db2.gz UZPZNOHAHSWIGA-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@H+]1C1CCCC1 126745237 343796432 /nfs/dbraw/zinc/79/64/32/343796432.db2.gz UZPZNOHAHSWIGA-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C1CCC1 126751685 343796592 /nfs/dbraw/zinc/79/65/92/343796592.db2.gz NNLZKZAQPNEJER-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C1CCC1 126751685 343796596 /nfs/dbraw/zinc/79/65/96/343796596.db2.gz NNLZKZAQPNEJER-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@H+]1C1CCCC1 126744742 343796625 /nfs/dbraw/zinc/79/66/25/343796625.db2.gz UZPZNOHAHSWIGA-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@@H+]1C1CCCC1 126744742 343796623 /nfs/dbraw/zinc/79/66/23/343796623.db2.gz UZPZNOHAHSWIGA-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@H+]1C1CCC1 126751883 343796653 /nfs/dbraw/zinc/79/66/53/343796653.db2.gz NNLZKZAQPNEJER-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@@H+]1C1CCC1 126751455 343796720 /nfs/dbraw/zinc/79/67/20/343796720.db2.gz NNLZKZAQPNEJER-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@H+]1C1CCC1 126751455 343796723 /nfs/dbraw/zinc/79/67/23/343796723.db2.gz NNLZKZAQPNEJER-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C1CCC1 126751203 343796855 /nfs/dbraw/zinc/79/68/55/343796855.db2.gz NNLZKZAQPNEJER-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C1CCC1 126751203 343796856 /nfs/dbraw/zinc/79/68/56/343796856.db2.gz NNLZKZAQPNEJER-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C 126784893 343797072 /nfs/dbraw/zinc/79/70/72/343797072.db2.gz HOKBTAQIMFTYPQ-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C 126784893 343797073 /nfs/dbraw/zinc/79/70/73/343797073.db2.gz HOKBTAQIMFTYPQ-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C 126784458 343797088 /nfs/dbraw/zinc/79/70/88/343797088.db2.gz HOKBTAQIMFTYPQ-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C 126784458 343797089 /nfs/dbraw/zinc/79/70/89/343797089.db2.gz HOKBTAQIMFTYPQ-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 126785139 343797445 /nfs/dbraw/zinc/79/74/45/343797445.db2.gz HOKBTAQIMFTYPQ-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 126785139 343797446 /nfs/dbraw/zinc/79/74/46/343797446.db2.gz HOKBTAQIMFTYPQ-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 126784680 343797530 /nfs/dbraw/zinc/79/75/30/343797530.db2.gz HOKBTAQIMFTYPQ-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C 126784680 343797532 /nfs/dbraw/zinc/79/75/32/343797532.db2.gz HOKBTAQIMFTYPQ-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+](C2CCCCC2)C1 126866481 343798634 /nfs/dbraw/zinc/79/86/34/343798634.db2.gz WJLNKXHMBQEDLR-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+](C2CCCCC2)C1 126866481 343798635 /nfs/dbraw/zinc/79/86/35/343798635.db2.gz WJLNKXHMBQEDLR-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+](C2CCCCC2)C1 126866914 343798641 /nfs/dbraw/zinc/79/86/41/343798641.db2.gz WJLNKXHMBQEDLR-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+](C2CCCCC2)C1 126866914 343798642 /nfs/dbraw/zinc/79/86/42/343798642.db2.gz WJLNKXHMBQEDLR-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@@H+](C2CCCCC2)C1 126866705 343798646 /nfs/dbraw/zinc/79/86/46/343798646.db2.gz WJLNKXHMBQEDLR-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@@H]1CC[N@H+](C2CCCCC2)C1 126866705 343798647 /nfs/dbraw/zinc/79/86/47/343798647.db2.gz WJLNKXHMBQEDLR-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@@H+](C2CCCCC2)C1 126867147 343798677 /nfs/dbraw/zinc/79/86/77/343798677.db2.gz WJLNKXHMBQEDLR-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@H+](C2CCCCC2)C1 126867147 343798678 /nfs/dbraw/zinc/79/86/78/343798678.db2.gz WJLNKXHMBQEDLR-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CC[C@H](N)C1 127292106 343808950 /nfs/dbraw/zinc/80/89/50/343808950.db2.gz ZTUPYNMHWKXGNM-WPRPVWTQSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CC[C@H](N)C1 127292106 343808951 /nfs/dbraw/zinc/80/89/51/343808951.db2.gz ZTUPYNMHWKXGNM-WPRPVWTQSA-N 1 3 168.284 1.351 10 0 ADAEHO CN(C1CCC1)[C@H]1CC[C@H]([NH3+])C1 127292106 343808953 /nfs/dbraw/zinc/80/89/53/343808953.db2.gz ZTUPYNMHWKXGNM-WPRPVWTQSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CC[C@H](N)C1 127291872 343808975 /nfs/dbraw/zinc/80/89/75/343808975.db2.gz ZTUPYNMHWKXGNM-WCBMZHEXSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CC[C@H](N)C1 127291872 343808977 /nfs/dbraw/zinc/80/89/77/343808977.db2.gz ZTUPYNMHWKXGNM-WCBMZHEXSA-N 1 3 168.284 1.351 10 0 ADAEHO CN(C1CCC1)[C@@H]1CC[C@H]([NH3+])C1 127291872 343808978 /nfs/dbraw/zinc/80/89/78/343808978.db2.gz ZTUPYNMHWKXGNM-WCBMZHEXSA-N 1 3 168.284 1.351 10 0 ADAEHO CC(C)NC[C@]1(C)CCCC[NH2+]1 127355297 343810236 /nfs/dbraw/zinc/81/02/36/343810236.db2.gz DVCQWXGEGROBEI-JTQLQIEISA-N 1 3 170.300 1.517 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CCC[C@H](N)C1 127340548 343810259 /nfs/dbraw/zinc/81/02/59/343810259.db2.gz BAJIRCCCGNXYGO-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CCC[C@H](N)C1 127340548 343810261 /nfs/dbraw/zinc/81/02/61/343810261.db2.gz BAJIRCCCGNXYGO-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO CN(C1CCC1)[C@H]1CCC[C@H]([NH3+])C1 127340548 343810262 /nfs/dbraw/zinc/81/02/62/343810262.db2.gz BAJIRCCCGNXYGO-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)(C)NC[C@@]1(C)CCCC[NH2+]1 127354785 343810281 /nfs/dbraw/zinc/81/02/81/343810281.db2.gz HFTWINAWYPIQEC-LLVKDONJSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)NC[C@@]1(C)CCCC[NH2+]1 127355489 343810582 /nfs/dbraw/zinc/81/05/82/343810582.db2.gz DVCQWXGEGROBEI-SNVBAGLBSA-N 1 3 170.300 1.517 10 0 ADAEHO CCNC[C@@]1(C)CCCC[NH2+]1 127359199 343810380 /nfs/dbraw/zinc/81/03/80/343810380.db2.gz JZBOJEDBOPIOAQ-SECBINFHSA-N 1 3 156.273 1.128 10 0 ADAEHO CC(C)(C)NC[C@]1(C)CCCC[NH2+]1 127355019 343810386 /nfs/dbraw/zinc/81/03/86/343810386.db2.gz HFTWINAWYPIQEC-NSHDSACASA-N 1 3 184.327 1.907 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CCC[C@H](N)C1 127340303 343810508 /nfs/dbraw/zinc/81/05/08/343810508.db2.gz BAJIRCCCGNXYGO-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CCC[C@H](N)C1 127340303 343810511 /nfs/dbraw/zinc/81/05/11/343810511.db2.gz BAJIRCCCGNXYGO-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO CN(C1CCC1)[C@@H]1CCC[C@H]([NH3+])C1 127340303 343810512 /nfs/dbraw/zinc/81/05/12/343810512.db2.gz BAJIRCCCGNXYGO-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO CCNC[C@]1(C)CCCC[NH2+]1 127358997 343810532 /nfs/dbraw/zinc/81/05/32/343810532.db2.gz JZBOJEDBOPIOAQ-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO C[C@]1(CNC2CCC2)CCCC[NH2+]1 127388313 343811027 /nfs/dbraw/zinc/81/10/27/343811027.db2.gz VUVLOFDACGBXEX-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@H]1CC[N@H+](C[C@]2(C)CCCCN2)C1 127364297 343811067 /nfs/dbraw/zinc/81/10/67/343811067.db2.gz HIDOLGOYUUQCJG-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@]1(CNC2CCC2)CCCC[NH2+]1 127388527 343811154 /nfs/dbraw/zinc/81/11/54/343811154.db2.gz VUVLOFDACGBXEX-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCCN2)C1 127364112 343811330 /nfs/dbraw/zinc/81/13/30/343811330.db2.gz HIDOLGOYUUQCJG-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCCN2)C1 127364112 343811332 /nfs/dbraw/zinc/81/13/32/343811332.db2.gz HIDOLGOYUUQCJG-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)C1CCC1 127527108 343813060 /nfs/dbraw/zinc/81/30/60/343813060.db2.gz SWWZOLUMEGAEBD-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)C1CCC1 127526870 343813287 /nfs/dbraw/zinc/81/32/87/343813287.db2.gz SWWZOLUMEGAEBD-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)C1CCC1 127526647 343813338 /nfs/dbraw/zinc/81/33/38/343813338.db2.gz SWWZOLUMEGAEBD-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCCNCC2)C1 127791898 343818920 /nfs/dbraw/zinc/81/89/20/343818920.db2.gz LAHBANPTCGDYCX-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCCNCC2)C1 127791898 343818922 /nfs/dbraw/zinc/81/89/22/343818922.db2.gz LAHBANPTCGDYCX-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@@H+]([C@@H]2CCCNCC2)C1 127792110 343819005 /nfs/dbraw/zinc/81/90/05/343819005.db2.gz LAHBANPTCGDYCX-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@H+]([C@@H]2CCCNCC2)C1 127792110 343819007 /nfs/dbraw/zinc/81/90/07/343819007.db2.gz LAHBANPTCGDYCX-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CC[C@@H]1CN 127882571 343821089 /nfs/dbraw/zinc/82/10/89/343821089.db2.gz YDXRMPVFEZIHHK-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CC[C@@H]1CN 127882571 343821091 /nfs/dbraw/zinc/82/10/91/343821091.db2.gz YDXRMPVFEZIHHK-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CCC1)[C@@H]1CC[C@@H]1C[NH3+] 127882571 343821093 /nfs/dbraw/zinc/82/10/93/343821093.db2.gz YDXRMPVFEZIHHK-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 128428319 343831239 /nfs/dbraw/zinc/83/12/39/343831239.db2.gz QXGMSTYCSMNGAF-QJPTWQEYSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 128427905 343831282 /nfs/dbraw/zinc/83/12/82/343831282.db2.gz QXGMSTYCSMNGAF-TUAOUCFPSA-N 1 3 196.338 1.764 10 0 ADAEHO C[NH2+]Cc1ccc2c(c1)CNCC2 128524855 343833248 /nfs/dbraw/zinc/83/32/48/343833248.db2.gz VOVRBFFFJVNFLJ-UHFFFAOYSA-N 1 3 176.263 1.052 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](N)C2)C1 128518452 343833381 /nfs/dbraw/zinc/83/33/81/343833381.db2.gz CATWCXNAFPVHAK-VPOLOUISSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[NH2+]Cc1ccc2c(c1)CNCC2 128525086 343833546 /nfs/dbraw/zinc/83/35/46/343833546.db2.gz KVVAPVQHDMWBII-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 128557969 343833967 /nfs/dbraw/zinc/83/39/67/343833967.db2.gz MPPMMELRRDVTAZ-FMLYDFSMSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H]1CC[C@H](NC2CC([NH3+])C2)C1 128557969 343833969 /nfs/dbraw/zinc/83/39/69/343833969.db2.gz MPPMMELRRDVTAZ-FMLYDFSMSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 128558214 343834003 /nfs/dbraw/zinc/83/40/03/343834003.db2.gz MPPMMELRRDVTAZ-PRWFHZCQSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CC[C@@H](NC2CC([NH3+])C2)C1 128558214 343834004 /nfs/dbraw/zinc/83/40/04/343834004.db2.gz MPPMMELRRDVTAZ-PRWFHZCQSA-N 1 3 168.284 1.254 10 0 ADAEHO NCC1C[NH+](C2CCCCCC2)C1 128559560 343834049 /nfs/dbraw/zinc/83/40/49/343834049.db2.gz IZQFMMRFTMWEQQ-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+]CC1CN(C2CCCCCC2)C1 128559560 343834051 /nfs/dbraw/zinc/83/40/51/343834051.db2.gz IZQFMMRFTMWEQQ-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 128557767 343834063 /nfs/dbraw/zinc/83/40/63/343834063.db2.gz MPPMMELRRDVTAZ-RJQCTPFPSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CC[C@H](NC2CC([NH3+])C2)C1 128557767 343834064 /nfs/dbraw/zinc/83/40/64/343834064.db2.gz MPPMMELRRDVTAZ-RJQCTPFPSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 128558450 343834174 /nfs/dbraw/zinc/83/41/74/343834174.db2.gz MPPMMELRRDVTAZ-QGVKSAJWSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H]1CC[C@@H](NC2CC([NH3+])C2)C1 128558450 343834176 /nfs/dbraw/zinc/83/41/76/343834176.db2.gz MPPMMELRRDVTAZ-QGVKSAJWSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]([NH3+])C(C)(C)Nc1ccncc1 128995684 343841758 /nfs/dbraw/zinc/84/17/58/343841758.db2.gz ZGBYMXJBRLZPMT-MRVPVSSYSA-N 1 3 179.267 1.619 10 0 ADAEHO C[C@H]([NH3+])C(C)(C)Nc1ccncc1 128995426 343842005 /nfs/dbraw/zinc/84/20/05/343842005.db2.gz ZGBYMXJBRLZPMT-QMMMGPOBSA-N 1 3 179.267 1.619 10 0 ADAEHO C[C@H]1CCN1CC(C)(C)C[NH3+] 129237851 343846499 /nfs/dbraw/zinc/84/64/99/343846499.db2.gz NYXOJRMNVQCWIC-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@@H+]1CC(C)(C)CN 129237851 343846501 /nfs/dbraw/zinc/84/65/01/343846501.db2.gz NYXOJRMNVQCWIC-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@H+]1CC(C)(C)CN 129237851 343846503 /nfs/dbraw/zinc/84/65/03/343846503.db2.gz NYXOJRMNVQCWIC-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CCN1CC(C)(C)C[NH3+] 129237636 343846597 /nfs/dbraw/zinc/84/65/97/343846597.db2.gz NYXOJRMNVQCWIC-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+]1CC(C)(C)CN 129237636 343846600 /nfs/dbraw/zinc/84/66/00/343846600.db2.gz NYXOJRMNVQCWIC-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+]1CC(C)(C)CN 129237636 343846603 /nfs/dbraw/zinc/84/66/03/343846603.db2.gz NYXOJRMNVQCWIC-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CC[C@@H](C)C2)CC1 129255322 343847003 /nfs/dbraw/zinc/84/70/03/343847003.db2.gz OSQCDSURXONLAE-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 129255322 343847006 /nfs/dbraw/zinc/84/70/06/343847006.db2.gz OSQCDSURXONLAE-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[C@H](NC[C@]2(C)CCC[NH2+]2)C1 129353316 343848594 /nfs/dbraw/zinc/84/85/94/343848594.db2.gz YORCAPOOEMRSFH-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCN2)C1 129353316 343848596 /nfs/dbraw/zinc/84/85/96/343848596.db2.gz YORCAPOOEMRSFH-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H](NC[C@]2(C)CCC[NH2+]2)C1 129353713 343848685 /nfs/dbraw/zinc/84/86/85/343848685.db2.gz YORCAPOOEMRSFH-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCCN2)C1 129353713 343848687 /nfs/dbraw/zinc/84/86/87/343848687.db2.gz YORCAPOOEMRSFH-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2N)C1 129386449 343849502 /nfs/dbraw/zinc/84/95/02/343849502.db2.gz JYCQJMDUHVFMMG-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C[N@H+]1CCCC[C@H]1C)=C1CNC1 129437818 343850019 /nfs/dbraw/zinc/85/00/19/343850019.db2.gz GWPNDVXNEUULCA-LLVKDONJSA-N 1 3 194.322 1.781 10 0 ADAEHO CC(C[N@@H+]1CCCC[C@H]1C)=C1CNC1 129437818 343850022 /nfs/dbraw/zinc/85/00/22/343850022.db2.gz GWPNDVXNEUULCA-LLVKDONJSA-N 1 3 194.322 1.781 10 0 ADAEHO CC(C[N@H+]1CCCC[C@@H]1C)=C1CNC1 129438023 343850043 /nfs/dbraw/zinc/85/00/43/343850043.db2.gz GWPNDVXNEUULCA-NSHDSACASA-N 1 3 194.322 1.781 10 0 ADAEHO CC(C[N@@H+]1CCCC[C@@H]1C)=C1CNC1 129438023 343850046 /nfs/dbraw/zinc/85/00/46/343850046.db2.gz GWPNDVXNEUULCA-NSHDSACASA-N 1 3 194.322 1.781 10 0 ADAEHO CC(C[NH+]1CCCCC1)=C1CNC1 129459912 343850546 /nfs/dbraw/zinc/85/05/46/343850546.db2.gz YWTMFDIMMHXATQ-UHFFFAOYSA-N 1 3 180.295 1.392 10 0 ADAEHO CC(C[N@@H+](C)C(C)C)=C1CNC1 129453300 343850627 /nfs/dbraw/zinc/85/06/27/343850627.db2.gz HEUQLHUPCNVWQS-UHFFFAOYSA-N 1 3 168.284 1.246 10 0 ADAEHO CC(C[N@H+](C)C(C)C)=C1CNC1 129453300 343850630 /nfs/dbraw/zinc/85/06/30/343850630.db2.gz HEUQLHUPCNVWQS-UHFFFAOYSA-N 1 3 168.284 1.246 10 0 ADAEHO CC(C[N@H+]1CCC[C@@H]1C)=C1CNC1 129519502 343852135 /nfs/dbraw/zinc/85/21/35/343852135.db2.gz OBBWPCZPIJFUJD-JTQLQIEISA-N 1 3 180.295 1.390 10 0 ADAEHO CC(C[N@@H+]1CCC[C@@H]1C)=C1CNC1 129519502 343852136 /nfs/dbraw/zinc/85/21/36/343852136.db2.gz OBBWPCZPIJFUJD-JTQLQIEISA-N 1 3 180.295 1.390 10 0 ADAEHO CC(C[N@H+]1CCC[C@H]1C)=C1CNC1 129519280 343852180 /nfs/dbraw/zinc/85/21/80/343852180.db2.gz OBBWPCZPIJFUJD-SNVBAGLBSA-N 1 3 180.295 1.390 10 0 ADAEHO CC(C[N@@H+]1CCC[C@H]1C)=C1CNC1 129519280 343852181 /nfs/dbraw/zinc/85/21/81/343852181.db2.gz OBBWPCZPIJFUJD-SNVBAGLBSA-N 1 3 180.295 1.390 10 0 ADAEHO CC(C[NH2+]C1CCCCC1)=C1CNC1 129524957 343852315 /nfs/dbraw/zinc/85/23/15/343852315.db2.gz BEHKBIXWOPSAQB-UHFFFAOYSA-N 1 3 194.322 1.828 10 0 ADAEHO CC(C[NH2+]C(C)(C)C)=C1CNC1 129527649 343852444 /nfs/dbraw/zinc/85/24/44/343852444.db2.gz BWBNDGOMLBNSPJ-UHFFFAOYSA-N 1 3 168.284 1.294 10 0 ADAEHO CC(C[N@H+]1CC[C@@H](C)C1)=C1CNC1 129544471 343852475 /nfs/dbraw/zinc/85/24/75/343852475.db2.gz IVAKJAGEAWPRMZ-SECBINFHSA-N 1 3 180.295 1.248 10 0 ADAEHO CC(C[N@@H+]1CC[C@@H](C)C1)=C1CNC1 129544471 343852478 /nfs/dbraw/zinc/85/24/78/343852478.db2.gz IVAKJAGEAWPRMZ-SECBINFHSA-N 1 3 180.295 1.248 10 0 ADAEHO CC(C[N@H+]1CC[C@H](C)C1)=C1CNC1 129544702 343852568 /nfs/dbraw/zinc/85/25/68/343852568.db2.gz IVAKJAGEAWPRMZ-VIFPVBQESA-N 1 3 180.295 1.248 10 0 ADAEHO CC(C[N@@H+]1CC[C@H](C)C1)=C1CNC1 129544702 343852570 /nfs/dbraw/zinc/85/25/70/343852570.db2.gz IVAKJAGEAWPRMZ-VIFPVBQESA-N 1 3 180.295 1.248 10 0 ADAEHO CC(C[NH2+]C1CCCC1)=C1CNC1 129533695 343852601 /nfs/dbraw/zinc/85/26/01/343852601.db2.gz UWDJYVSCINDRPT-UHFFFAOYSA-N 1 3 180.295 1.438 10 0 ADAEHO CCC1CN(C2(C)CC[NH2+]CC2)C1 129660771 343854805 /nfs/dbraw/zinc/85/48/05/343854805.db2.gz MLBAEDWKXWPULW-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C1CC[C@@H](NC2CCCC2)C[NH2+]C1 129804507 343856482 /nfs/dbraw/zinc/85/64/82/343856482.db2.gz PKIJBYXRDNDSJQ-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C1CC[C@H](NC2CCCC2)C[NH2+]C1 129804712 343856983 /nfs/dbraw/zinc/85/69/83/343856983.db2.gz PKIJBYXRDNDSJQ-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO [NH3+]CC1(Nc2ccncc2)CCC1 129849828 343857393 /nfs/dbraw/zinc/85/73/93/343857393.db2.gz ZKTAEUBQOOGCDO-UHFFFAOYSA-N 1 3 177.251 1.375 10 0 ADAEHO Nc1ccncc1[C@@H](F)CC[NH3+] 130434620 343868588 /nfs/dbraw/zinc/86/85/88/343868588.db2.gz SKPHNKPMKKWZNR-ZETCQYMHSA-N 1 3 169.203 1.023 10 0 ADAEHO Nc1ccncc1[C@H](F)CC[NH3+] 130434406 343868604 /nfs/dbraw/zinc/86/86/04/343868604.db2.gz SKPHNKPMKKWZNR-SSDOTTSWSA-N 1 3 169.203 1.023 10 0 ADAEHO C[C@@H](C[NH+](C)C)Nc1ccncc1 130636266 343871440 /nfs/dbraw/zinc/87/14/40/343871440.db2.gz NUJCCSATRIWZIE-VIFPVBQESA-N 1 3 179.267 1.444 10 0 ADAEHO CC[C@@H]1CCC[C@H](N2CC[C@@H]([NH3+])C2)C1 130863673 343876484 /nfs/dbraw/zinc/87/64/84/343876484.db2.gz XLNKUWIOXRMEJR-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1CCC[C@@H](N2CC[C@@H]([NH3+])C2)C1 130864319 343876562 /nfs/dbraw/zinc/87/65/62/343876562.db2.gz XLNKUWIOXRMEJR-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1CCC[C@H](N2CC[C@@H]([NH3+])C2)C1 130863886 343876728 /nfs/dbraw/zinc/87/67/28/343876728.db2.gz XLNKUWIOXRMEJR-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[C@@H](N2CC[C@@H]([NH3+])C2)C1 130864098 343876751 /nfs/dbraw/zinc/87/67/51/343876751.db2.gz XLNKUWIOXRMEJR-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CNC2)C[C@@H]1C 132033355 343892889 /nfs/dbraw/zinc/89/28/89/343892889.db2.gz OAMYYEGQFQNJPK-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CNC2)C[C@@H]1C 132033355 343892892 /nfs/dbraw/zinc/89/28/92/343892892.db2.gz OAMYYEGQFQNJPK-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CCN(CC2C[NH2+]C2)C[C@@H]1C 132033355 343892894 /nfs/dbraw/zinc/89/28/94/343892894.db2.gz OAMYYEGQFQNJPK-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1CC[N@H+](CC2CNC2)C[C@@H]1C 132033131 343893031 /nfs/dbraw/zinc/89/30/31/343893031.db2.gz OAMYYEGQFQNJPK-ZJUUUORDSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC2CNC2)C[C@@H]1C 132033131 343893033 /nfs/dbraw/zinc/89/30/33/343893033.db2.gz OAMYYEGQFQNJPK-ZJUUUORDSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1CCN(CC2C[NH2+]C2)C[C@@H]1C 132033131 343893034 /nfs/dbraw/zinc/89/30/34/343893034.db2.gz OAMYYEGQFQNJPK-ZJUUUORDSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CCN(C2CC([NH3+])C2)C[C@@H]1C 132201217 343895744 /nfs/dbraw/zinc/89/57/44/343895744.db2.gz UZRRGASPVGAFME-SAAXCQNUSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1SCC[N@@H+]([C@@H](C)CN)[C@@H]1C 132282886 343896025 /nfs/dbraw/zinc/89/60/25/343896025.db2.gz OVPTYVZTRNNLHT-YIZRAAEISA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@@H]1SCC[N@H+]([C@@H](C)CN)[C@@H]1C 132282886 343896027 /nfs/dbraw/zinc/89/60/27/343896027.db2.gz OVPTYVZTRNNLHT-YIZRAAEISA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@@H]1SCC[N@@H+]([C@@H](C)CN)[C@H]1C 132283158 343896222 /nfs/dbraw/zinc/89/62/22/343896222.db2.gz OVPTYVZTRNNLHT-CIUDSAMLSA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@@H]1SCC[N@H+]([C@@H](C)CN)[C@H]1C 132283158 343896223 /nfs/dbraw/zinc/89/62/23/343896223.db2.gz OVPTYVZTRNNLHT-CIUDSAMLSA-N 1 3 188.340 1.159 10 0 ADAEHO N[C@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 132536857 343900146 /nfs/dbraw/zinc/90/01/46/343900146.db2.gz KUVKXSMQEOGCEK-ONGXEEELSA-N 1 3 180.295 1.565 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH2+]C2CC=CC2)C1 132537034 343900339 /nfs/dbraw/zinc/90/03/39/343900339.db2.gz KUVKXSMQEOGCEK-KOLCDFICSA-N 1 3 180.295 1.565 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]C2CC=CC2)C1 132583461 343900723 /nfs/dbraw/zinc/90/07/23/343900723.db2.gz JFHCMLMXTAXTCB-WPRPVWTQSA-N 1 3 166.268 1.174 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]C2CC=CC2)C1 132583662 343900832 /nfs/dbraw/zinc/90/08/32/343900832.db2.gz JFHCMLMXTAXTCB-WCBMZHEXSA-N 1 3 166.268 1.174 10 0 ADAEHO C1=CCC([NH2+][C@H]2CCCNCC2)C1 132570139 343900965 /nfs/dbraw/zinc/90/09/65/343900965.db2.gz FQQUXPHVIPQZEU-NSHDSACASA-N 1 3 180.295 1.437 10 0 ADAEHO C1=CCC([NH2+][C@@H]2CCCNCC2)C1 132570359 343901059 /nfs/dbraw/zinc/90/10/59/343901059.db2.gz FQQUXPHVIPQZEU-LLVKDONJSA-N 1 3 180.295 1.437 10 0 ADAEHO C1=CCC([NH2+]C2CCNCC2)C1 132600886 343901432 /nfs/dbraw/zinc/90/14/32/343901432.db2.gz OGDUMXDPJVRKFU-UHFFFAOYSA-N 1 3 166.268 1.047 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 132819453 343905276 /nfs/dbraw/zinc/90/52/76/343905276.db2.gz BYUNPTNFPBXCMF-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 132819654 343905303 /nfs/dbraw/zinc/90/53/03/343905303.db2.gz BYUNPTNFPBXCMF-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 132819042 343905335 /nfs/dbraw/zinc/90/53/35/343905335.db2.gz BYUNPTNFPBXCMF-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CC=CC2)C[C@@H]1C 133112703 343911818 /nfs/dbraw/zinc/91/18/18/343911818.db2.gz ARZSEYQKXFDIOW-JQWIXIFHSA-N 1 3 194.322 1.635 10 0 ADAEHO C[NH2+]C1CCN(C2CC=CC2)CC1 133107816 343911886 /nfs/dbraw/zinc/91/18/86/343911886.db2.gz VRYLZDVYXRSLKE-UHFFFAOYSA-N 1 3 180.295 1.389 10 0 ADAEHO CNC1CC[NH+](C2CC=CC2)CC1 133107816 343911889 /nfs/dbraw/zinc/91/18/89/343911889.db2.gz VRYLZDVYXRSLKE-UHFFFAOYSA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1CC=CC1 133113112 343911907 /nfs/dbraw/zinc/91/19/07/343911907.db2.gz OKCJFVCODVLRLS-VHSXEESVSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1CC=CC1 133113112 343911908 /nfs/dbraw/zinc/91/19/08/343911908.db2.gz OKCJFVCODVLRLS-VHSXEESVSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1C1CC=CC1 133113112 343911911 /nfs/dbraw/zinc/91/19/11/343911911.db2.gz OKCJFVCODVLRLS-VHSXEESVSA-N 1 3 180.295 1.517 10 0 ADAEHO [NH3+]C1CCN(C2CC=CC2)CC1 133112265 343911973 /nfs/dbraw/zinc/91/19/73/343911973.db2.gz ZPBFCTKZFYFUJJ-UHFFFAOYSA-N 1 3 166.268 1.128 10 0 ADAEHO NC1CC[NH+](C2CC=CC2)CC1 133112265 343911974 /nfs/dbraw/zinc/91/19/74/343911974.db2.gz ZPBFCTKZFYFUJJ-UHFFFAOYSA-N 1 3 166.268 1.128 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C1CC=CC1 133113308 343912030 /nfs/dbraw/zinc/91/20/30/343912030.db2.gz OKCJFVCODVLRLS-ZJUUUORDSA-N 1 3 180.295 1.517 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CC=CC2)C[C@H]1C 133112493 343912048 /nfs/dbraw/zinc/91/20/48/343912048.db2.gz ARZSEYQKXFDIOW-PWSUYJOCSA-N 1 3 194.322 1.635 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1CC=CC1 133112926 343912128 /nfs/dbraw/zinc/91/21/28/343912128.db2.gz OKCJFVCODVLRLS-NXEZZACHSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1CC=CC1 133112926 343912130 /nfs/dbraw/zinc/91/21/30/343912130.db2.gz OKCJFVCODVLRLS-NXEZZACHSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C1CC=CC1 133112926 343912133 /nfs/dbraw/zinc/91/21/33/343912133.db2.gz OKCJFVCODVLRLS-NXEZZACHSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CC=CC1 133113470 343912176 /nfs/dbraw/zinc/91/21/76/343912176.db2.gz OKCJFVCODVLRLS-UWVGGRQHSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CC=CC1 133113470 343912178 /nfs/dbraw/zinc/91/21/78/343912178.db2.gz OKCJFVCODVLRLS-UWVGGRQHSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1C1CC=CC1 133113470 343912181 /nfs/dbraw/zinc/91/21/81/343912181.db2.gz OKCJFVCODVLRLS-UWVGGRQHSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CC=CC2)CC[C@@H]1N 133106090 343912207 /nfs/dbraw/zinc/91/22/07/343912207.db2.gz UXNNDYPHGJWZHO-KOLCDFICSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1C[N@H+](C2CC=CC2)CC[C@@H]1N 133106090 343912210 /nfs/dbraw/zinc/91/22/10/343912210.db2.gz UXNNDYPHGJWZHO-KOLCDFICSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1CN(C2CC=CC2)CC[C@@H]1[NH3+] 133106090 343912212 /nfs/dbraw/zinc/91/22/12/343912212.db2.gz UXNNDYPHGJWZHO-KOLCDFICSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1C[N@@H+](C2CC=CC2)CC[C@@H]1N 133106323 343912231 /nfs/dbraw/zinc/91/22/31/343912231.db2.gz UXNNDYPHGJWZHO-ONGXEEELSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1C[N@H+](C2CC=CC2)CC[C@@H]1N 133106323 343912234 /nfs/dbraw/zinc/91/22/34/343912234.db2.gz UXNNDYPHGJWZHO-ONGXEEELSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1CN(C2CC=CC2)CC[C@@H]1[NH3+] 133106323 343912238 /nfs/dbraw/zinc/91/22/38/343912238.db2.gz UXNNDYPHGJWZHO-ONGXEEELSA-N 1 3 180.295 1.374 10 0 ADAEHO CC1(C)CN(c2ccncc2)CC[NH2+]1 133195035 343913296 /nfs/dbraw/zinc/91/32/96/343913296.db2.gz UZPHVWLYUGIZFR-UHFFFAOYSA-N 1 3 191.278 1.270 10 0 ADAEHO C[NH2+]C1(C)CCN(CC(C)C)CC1 133279217 343915062 /nfs/dbraw/zinc/91/50/62/343915062.db2.gz WOVCUYMTTXQNKN-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC1(C)CC[NH+](CC(C)C)CC1 133279217 343915065 /nfs/dbraw/zinc/91/50/65/343915065.db2.gz WOVCUYMTTXQNKN-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CC(C[NH3+])(NC2CC2)C[C@H](C)O1 133455199 343919283 /nfs/dbraw/zinc/91/92/83/343919283.db2.gz MLYVRNQUMLNQSF-IUCAKERBSA-N 1 3 198.310 1.023 10 0 ADAEHO C[C@@H]1CC(C[NH3+])(NC2CC2)C[C@@H](C)O1 133455418 343919351 /nfs/dbraw/zinc/91/93/51/343919351.db2.gz MLYVRNQUMLNQSF-RKDXNWHRSA-N 1 3 198.310 1.023 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH+]1CCCCC1 133660417 343923677 /nfs/dbraw/zinc/92/36/77/343923677.db2.gz ZMJFQHSCXQRDRA-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN1CCCCC1 133660417 343923679 /nfs/dbraw/zinc/92/36/79/343923679.db2.gz ZMJFQHSCXQRDRA-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](N)[C@H](C)C[NH+]1CCCCC1 133660024 343923854 /nfs/dbraw/zinc/92/38/54/343923854.db2.gz ZMJFQHSCXQRDRA-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]([NH3+])[C@H](C)CN1CCCCC1 133660024 343923855 /nfs/dbraw/zinc/92/38/55/343923855.db2.gz ZMJFQHSCXQRDRA-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](C[NH+]1CCCCC1)[C@@H](C)N 133659813 343923871 /nfs/dbraw/zinc/92/38/71/343923871.db2.gz ZMJFQHSCXQRDRA-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN1CCCCC1)[C@@H](C)[NH3+] 133659813 343923872 /nfs/dbraw/zinc/92/38/72/343923872.db2.gz ZMJFQHSCXQRDRA-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH+]1CCCCC1 133660225 343923920 /nfs/dbraw/zinc/92/39/20/343923920.db2.gz ZMJFQHSCXQRDRA-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CN1CCCCC1 133660225 343923921 /nfs/dbraw/zinc/92/39/21/343923921.db2.gz ZMJFQHSCXQRDRA-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[N@@H+]1CC1CNC1 134203520 343936625 /nfs/dbraw/zinc/93/66/25/343936625.db2.gz UUTGPQFOLOYTEZ-AOOOYVTPSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[C@@H](C)[N@H+]1CC1CNC1 134203520 343936627 /nfs/dbraw/zinc/93/66/27/343936627.db2.gz UUTGPQFOLOYTEZ-AOOOYVTPSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[C@@H](C)N1CC1C[NH2+]C1 134203520 343936628 /nfs/dbraw/zinc/93/66/28/343936628.db2.gz UUTGPQFOLOYTEZ-AOOOYVTPSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H](CC[NH3+])Nc1ccncc1 134270945 343938451 /nfs/dbraw/zinc/93/84/51/343938451.db2.gz BGGKKYHAGGHSAZ-QMMMGPOBSA-N 1 3 165.240 1.231 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)CC[N@H+]2[C@@H]1CCNC1 134822144 343949527 /nfs/dbraw/zinc/94/95/27/343949527.db2.gz QDGRMZIXGUXBOC-QJPTWQEYSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2[C@@H]1CCNC1 134822144 343949530 /nfs/dbraw/zinc/94/95/30/343949530.db2.gz QDGRMZIXGUXBOC-QJPTWQEYSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)CCN2[C@@H]1CC[NH2+]C1 134822144 343949533 /nfs/dbraw/zinc/94/95/33/343949533.db2.gz QDGRMZIXGUXBOC-QJPTWQEYSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CC[N@H+]2[C@@H]1CCNC1 134822187 343949603 /nfs/dbraw/zinc/94/96/03/343949603.db2.gz QDGRMZIXGUXBOC-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CC[N@@H+]2[C@@H]1CCNC1 134822187 343949605 /nfs/dbraw/zinc/94/96/05/343949605.db2.gz QDGRMZIXGUXBOC-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CCN2[C@@H]1CC[NH2+]C1 134822187 343949610 /nfs/dbraw/zinc/94/96/10/343949610.db2.gz QDGRMZIXGUXBOC-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO NCCC[N@@H+]1CC[C@H]2CCCC[C@@H]21 134811624 343949623 /nfs/dbraw/zinc/94/96/23/343949623.db2.gz OOVZKAVXVQYVOU-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@H+]1CC[C@H]2CCCC[C@@H]21 134811624 343949624 /nfs/dbraw/zinc/94/96/24/343949624.db2.gz OOVZKAVXVQYVOU-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@@H+]1CC[C@@H]2CCCC[C@H]21 134811559 343949641 /nfs/dbraw/zinc/94/96/41/343949641.db2.gz OOVZKAVXVQYVOU-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@H+]1CC[C@@H]2CCCC[C@H]21 134811559 343949642 /nfs/dbraw/zinc/94/96/42/343949642.db2.gz OOVZKAVXVQYVOU-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@@H+]1CC[C@H]2CCCC[C@H]21 134811601 343949675 /nfs/dbraw/zinc/94/96/75/343949675.db2.gz OOVZKAVXVQYVOU-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO NCCC[N@H+]1CC[C@H]2CCCC[C@H]21 134811601 343949676 /nfs/dbraw/zinc/94/96/76/343949676.db2.gz OOVZKAVXVQYVOU-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@H]2CCCC[C@@H]21 134816861 343949897 /nfs/dbraw/zinc/94/98/97/343949897.db2.gz XJCSHBWHUVSWEC-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@H]2CCCC[C@@H]21 134816861 343949900 /nfs/dbraw/zinc/94/99/00/343949900.db2.gz XJCSHBWHUVSWEC-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@]1(C[NH+]2CCCCC2)CCC[C@@H]1N 134947526 343951583 /nfs/dbraw/zinc/95/15/83/343951583.db2.gz YVVVIQKGZKLOPO-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@]1(CN2CCCCC2)CCC[C@@H]1[NH3+] 134947526 343951586 /nfs/dbraw/zinc/95/15/86/343951586.db2.gz YVVVIQKGZKLOPO-RYUDHWBXSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@]1(C[NH+]2CCCCC2)CCC[C@@H]1N 134947508 343951592 /nfs/dbraw/zinc/95/15/92/343951592.db2.gz YVVVIQKGZKLOPO-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@]1(CN2CCCCC2)CCC[C@@H]1[NH3+] 134947508 343951596 /nfs/dbraw/zinc/95/15/96/343951596.db2.gz YVVVIQKGZKLOPO-NWDGAFQWSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@]1(C[NH+]2CCCCC2)CCC[C@H]1N 134947559 343951630 /nfs/dbraw/zinc/95/16/30/343951630.db2.gz YVVVIQKGZKLOPO-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@]1(CN2CCCCC2)CCC[C@H]1[NH3+] 134947559 343951634 /nfs/dbraw/zinc/95/16/34/343951634.db2.gz YVVVIQKGZKLOPO-NEPJUHHUSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)[NH2+]C[C@@]1(C)CCC[C@H]1N 134950915 343951663 /nfs/dbraw/zinc/95/16/63/343951663.db2.gz AQXKUCYSOAYPQV-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[NH2+]C[C@]1(C)CCC[C@H]1N 134951456 343951700 /nfs/dbraw/zinc/95/17/00/343951700.db2.gz WWVAVBJMAXKZCR-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@]1(C[NH+]2CCCC2)CCC[C@H]1N 134946473 343951710 /nfs/dbraw/zinc/95/17/10/343951710.db2.gz QACMXUZSBDCQFH-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[N@H+](C)C[C@]1(C)CCC[C@@H]1N 134947396 343951736 /nfs/dbraw/zinc/95/17/36/343951736.db2.gz NIDDYOPRRSRUBO-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)C[C@]1(C)CCC[C@@H]1N 134947396 343951739 /nfs/dbraw/zinc/95/17/39/343951739.db2.gz NIDDYOPRRSRUBO-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)N(C)C[C@]1(C)CCC[C@@H]1[NH3+] 134947396 343951741 /nfs/dbraw/zinc/95/17/41/343951741.db2.gz NIDDYOPRRSRUBO-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH2+]C[C@@]1(C)CCC[C@H]1N 134951478 343951759 /nfs/dbraw/zinc/95/17/59/343951759.db2.gz WWVAVBJMAXKZCR-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO CN(C[C@]1(C)CCC[C@H]1[NH3+])C1CC1 134948245 343951850 /nfs/dbraw/zinc/95/18/50/343951850.db2.gz UJOVMXCNJVFEFV-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C[C@@]1(C)CCC[C@@H]1[NH3+])C1CC1 134948192 343951862 /nfs/dbraw/zinc/95/18/62/343951862.db2.gz UJOVMXCNJVFEFV-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[NH2+]C[C@]1(C)CCC[C@@H]1N 134950857 343951915 /nfs/dbraw/zinc/95/19/15/343951915.db2.gz AQXKUCYSOAYPQV-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO CN(C)C[C@@]1(C)CCC[C@H]1[NH3+] 134947755 343951921 /nfs/dbraw/zinc/95/19/21/343951921.db2.gz MVXOYNMHNQKXHM-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH2+]C[C@@]1(C)CCC[C@@H]1N 134951440 343951939 /nfs/dbraw/zinc/95/19/39/343951939.db2.gz WWVAVBJMAXKZCR-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@]1(C[NH2+]C2CC2)CCC[C@H]1N 134951131 343951944 /nfs/dbraw/zinc/95/19/44/343951944.db2.gz VWQGGHKFOVVYAB-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@]1(CNC2CC2)CCC[C@H]1[NH3+] 134951131 343951945 /nfs/dbraw/zinc/95/19/45/343951945.db2.gz VWQGGHKFOVVYAB-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO CN(C[C@@]1(C)CCC[C@H]1[NH3+])C1CC1 134948228 343951967 /nfs/dbraw/zinc/95/19/67/343951967.db2.gz UJOVMXCNJVFEFV-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@]1(C[NH+]2CCCC2)CCC[C@@H]1N 134946416 343951974 /nfs/dbraw/zinc/95/19/74/343951974.db2.gz QACMXUZSBDCQFH-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@]1(C[NH+]2CCCC2)CCC[C@H]1N 134946450 343951978 /nfs/dbraw/zinc/95/19/78/343951978.db2.gz QACMXUZSBDCQFH-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO CN(C)C[C@@]1(C)CCC[C@@H]1[NH3+] 134947719 343952023 /nfs/dbraw/zinc/95/20/23/343952023.db2.gz MVXOYNMHNQKXHM-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH2+]C[C@]1(C)CCC[C@@H]1N 134951420 343952028 /nfs/dbraw/zinc/95/20/28/343952028.db2.gz WWVAVBJMAXKZCR-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO CN(C)C[C@]1(C)CCC[C@H]1[NH3+] 134947776 343952049 /nfs/dbraw/zinc/95/20/49/343952049.db2.gz MVXOYNMHNQKXHM-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@]1(C[NH+]2CCCCC2)CCC[C@H]1N 134947542 343952061 /nfs/dbraw/zinc/95/20/61/343952061.db2.gz YVVVIQKGZKLOPO-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@]1(CN2CCCCC2)CCC[C@H]1[NH3+] 134947542 343952063 /nfs/dbraw/zinc/95/20/63/343952063.db2.gz YVVVIQKGZKLOPO-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO CN(C)C[C@]1(C)CCC[C@@H]1[NH3+] 134947738 343952086 /nfs/dbraw/zinc/95/20/86/343952086.db2.gz MVXOYNMHNQKXHM-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@]1(C[NH2+]C2CC2)CCC[C@@H]1N 134951114 343952093 /nfs/dbraw/zinc/95/20/93/343952093.db2.gz VWQGGHKFOVVYAB-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@]1(CNC2CC2)CCC[C@@H]1[NH3+] 134951114 343952094 /nfs/dbraw/zinc/95/20/94/343952094.db2.gz VWQGGHKFOVVYAB-UWVGGRQHSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)[N@H+](C)C[C@@]1(C)CCC[C@@H]1N 134947417 343952098 /nfs/dbraw/zinc/95/20/98/343952098.db2.gz NIDDYOPRRSRUBO-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@]1(C)CCC[C@@H]1N 134947417 343952099 /nfs/dbraw/zinc/95/20/99/343952099.db2.gz NIDDYOPRRSRUBO-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)N(C)C[C@@]1(C)CCC[C@@H]1[NH3+] 134947417 343952100 /nfs/dbraw/zinc/95/21/00/343952100.db2.gz NIDDYOPRRSRUBO-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@]1(C[NH+]2CCCC2)CCC[C@@H]1N 134946435 343952104 /nfs/dbraw/zinc/95/21/04/343952104.db2.gz QACMXUZSBDCQFH-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CN(C[C@]1(C)CCC[C@@H]1[NH3+])C1CC1 134948208 343952107 /nfs/dbraw/zinc/95/21/07/343952107.db2.gz UJOVMXCNJVFEFV-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CCN1CCC[C@H]1CN1CCCC1=[NH2+] 138878785 343990888 /nfs/dbraw/zinc/99/08/88/343990888.db2.gz UKIBDCZSIWWHRN-JTQLQIEISA-N 1 3 195.310 1.544 10 0 ADAEHO C1CC[C@@]2(CCCNC2)C[NH2+]C1 139072005 343992526 /nfs/dbraw/zinc/99/25/26/343992526.db2.gz PNLISWHFEAXCNA-SNVBAGLBSA-N 1 3 168.284 1.130 10 0 ADAEHO NCC1(C[NH3+])CCCCCC1 140865825 344002507 /nfs/dbraw/zinc/00/25/07/344002507.db2.gz WRRWTQOGUQOYOF-UHFFFAOYSA-N 1 3 156.273 1.244 10 0 ADAEHO CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 141555653 344006761 /nfs/dbraw/zinc/00/67/61/344006761.db2.gz PDLVIAZUWPLUFC-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 141555456 344006964 /nfs/dbraw/zinc/00/69/64/344006964.db2.gz PDLVIAZUWPLUFC-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO Cc1ccccc1[C@H](N)CC[NH3+] 142218646 344010715 /nfs/dbraw/zinc/01/07/15/344010715.db2.gz HLPUUXVYFSXPQV-SNVBAGLBSA-N 1 3 164.252 1.344 10 0 ADAEHO Cc1ccccc1[C@@H](N)CC[NH3+] 142218431 344010775 /nfs/dbraw/zinc/01/07/75/344010775.db2.gz HLPUUXVYFSXPQV-JTQLQIEISA-N 1 3 164.252 1.344 10 0 ADAEHO F[C@@H]1CCN(CC2CC[NH2+]CC2)C1 142408532 344012600 /nfs/dbraw/zinc/01/26/00/344012600.db2.gz JUYGUEGYFDCWAE-SNVBAGLBSA-N 1 3 186.274 1.030 10 0 ADAEHO CN(C)[C@H]1CCC[N@H+](C)CC1 142792125 344014626 /nfs/dbraw/zinc/01/46/26/344014626.db2.gz HKKTWRWISKQDIA-VIFPVBQESA-N 1 3 156.273 1.032 10 0 ADAEHO CN(C)[C@H]1CCC[N@@H+](C)CC1 142792125 344014628 /nfs/dbraw/zinc/01/46/28/344014628.db2.gz HKKTWRWISKQDIA-VIFPVBQESA-N 1 3 156.273 1.032 10 0 ADAEHO CN(C)[C@@H]1CCC[N@H+](C)CC1 142791914 344014787 /nfs/dbraw/zinc/01/47/87/344014787.db2.gz HKKTWRWISKQDIA-SECBINFHSA-N 1 3 156.273 1.032 10 0 ADAEHO CN(C)[C@@H]1CCC[N@@H+](C)CC1 142791914 344014789 /nfs/dbraw/zinc/01/47/89/344014789.db2.gz HKKTWRWISKQDIA-SECBINFHSA-N 1 3 156.273 1.032 10 0 ADAEHO N[C@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 142838434 344015213 /nfs/dbraw/zinc/01/52/13/344015213.db2.gz XVNCEYGZCTXFSZ-RTCCRHLQSA-N 1 3 180.295 1.351 10 0 ADAEHO N[C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 142838434 344015216 /nfs/dbraw/zinc/01/52/16/344015216.db2.gz XVNCEYGZCTXFSZ-RTCCRHLQSA-N 1 3 180.295 1.351 10 0 ADAEHO CC(C)(C)[N@@H+]1CCC[C@H]1CCN 143563013 344020322 /nfs/dbraw/zinc/02/03/22/344020322.db2.gz XGWFMRIWARDLIZ-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)(C)[N@H+]1CCC[C@H]1CCN 143563013 344020323 /nfs/dbraw/zinc/02/03/23/344020323.db2.gz XGWFMRIWARDLIZ-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](N2CC[C@H]([NH3+])C2)CC1 144355304 344026119 /nfs/dbraw/zinc/02/61/19/344026119.db2.gz HATVPLVUTQKPEI-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)CC1 144355093 344026135 /nfs/dbraw/zinc/02/61/35/344026135.db2.gz HATVPLVUTQKPEI-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)C[C@H](CN)C(C)(C)[NH2+]1 144705921 344028844 /nfs/dbraw/zinc/02/88/44/344028844.db2.gz YSRBXNPQMZXJNE-SSDOTTSWSA-N 1 3 156.273 1.112 10 0 ADAEHO CC1(C)C[C@@H](CN)C(C)(C)[NH2+]1 144705703 344028998 /nfs/dbraw/zinc/02/89/98/344028998.db2.gz YSRBXNPQMZXJNE-ZETCQYMHSA-N 1 3 156.273 1.112 10 0 ADAEHO CCN1CC[C@]2(CCC[NH2+]C2)C1 149030876 344061021 /nfs/dbraw/zinc/06/10/21/344061021.db2.gz NZHDQASRNPSMKZ-JTQLQIEISA-N 1 3 168.284 1.082 10 0 ADAEHO CC[N@@H+]1CC[C@]2(CCCNC2)C1 149030876 344061022 /nfs/dbraw/zinc/06/10/22/344061022.db2.gz NZHDQASRNPSMKZ-JTQLQIEISA-N 1 3 168.284 1.082 10 0 ADAEHO CC[N@H+]1CC[C@]2(CCCNC2)C1 149030876 344061024 /nfs/dbraw/zinc/06/10/24/344061024.db2.gz NZHDQASRNPSMKZ-JTQLQIEISA-N 1 3 168.284 1.082 10 0 ADAEHO CCN1CCC([NH3+])(C2CC2)CC1 149023059 344061219 /nfs/dbraw/zinc/06/12/19/344061219.db2.gz QXMQUDIGDHNXQD-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CC[C@@]2(CCC[NH2+]C2)C1 149031071 344061300 /nfs/dbraw/zinc/06/13/00/344061300.db2.gz NZHDQASRNPSMKZ-SNVBAGLBSA-N 1 3 168.284 1.082 10 0 ADAEHO CC[N@@H+]1CC[C@@]2(CCCNC2)C1 149031071 344061301 /nfs/dbraw/zinc/06/13/01/344061301.db2.gz NZHDQASRNPSMKZ-SNVBAGLBSA-N 1 3 168.284 1.082 10 0 ADAEHO CC[N@H+]1CC[C@@]2(CCCNC2)C1 149031071 344061304 /nfs/dbraw/zinc/06/13/04/344061304.db2.gz NZHDQASRNPSMKZ-SNVBAGLBSA-N 1 3 168.284 1.082 10 0 ADAEHO CC(C)(C)[N@@H+]1CCC[C@H](N)CC1 149357744 344064720 /nfs/dbraw/zinc/06/47/20/344064720.db2.gz SRCGQYISXWAUTA-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)(C)[N@H+]1CCC[C@H](N)CC1 149357744 344064723 /nfs/dbraw/zinc/06/47/23/344064723.db2.gz SRCGQYISXWAUTA-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)(C)[N@@H+]1CCC[C@@H](N)CC1 149357532 344064820 /nfs/dbraw/zinc/06/48/20/344064820.db2.gz SRCGQYISXWAUTA-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)(C)[N@H+]1CCC[C@@H](N)CC1 149357532 344064822 /nfs/dbraw/zinc/06/48/22/344064822.db2.gz SRCGQYISXWAUTA-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@H](C)CCN)C1 149921420 344073253 /nfs/dbraw/zinc/07/32/53/344073253.db2.gz TZKXBNIAYJIQLO-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](NC)C2)C1 150067145 344076032 /nfs/dbraw/zinc/07/60/32/344076032.db2.gz PTSRZXYVIAUXQT-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H](NC)C2)C1 150067145 344076035 /nfs/dbraw/zinc/07/60/35/344076035.db2.gz PTSRZXYVIAUXQT-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H](NC)C2)C1 150066686 344076262 /nfs/dbraw/zinc/07/62/62/344076262.db2.gz PTSRZXYVIAUXQT-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@H+]2CC[C@H](NC)C2)C1 150066686 344076263 /nfs/dbraw/zinc/07/62/63/344076263.db2.gz PTSRZXYVIAUXQT-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 156083901 344080387 /nfs/dbraw/zinc/08/03/87/344080387.db2.gz IHSFMLQXQNHMHC-DDHJBXDOSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 156083901 344080388 /nfs/dbraw/zinc/08/03/88/344080388.db2.gz IHSFMLQXQNHMHC-DDHJBXDOSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@](F)(C[NH3+])[C@H]1CCCCCN1 156444399 344087461 /nfs/dbraw/zinc/08/74/61/344087461.db2.gz XGHAYBUADORLCJ-RKDXNWHRSA-N 1 3 174.263 1.206 10 0 ADAEHO C[C@](F)(C[NH3+])[C@H]1CCCCCN1 156444520 344087542 /nfs/dbraw/zinc/08/75/42/344087542.db2.gz XGHAYBUADORLCJ-BDAKNGLRSA-N 1 3 174.263 1.206 10 0 ADAEHO C[C@@](F)(C[NH3+])[C@@H]1CCCCCN1 156444140 344087622 /nfs/dbraw/zinc/08/76/22/344087622.db2.gz XGHAYBUADORLCJ-DTWKUNHWSA-N 1 3 174.263 1.206 10 0 ADAEHO C[C@](F)(C[NH3+])[C@@H]1CCCCCN1 156444271 344087667 /nfs/dbraw/zinc/08/76/67/344087667.db2.gz XGHAYBUADORLCJ-IUCAKERBSA-N 1 3 174.263 1.206 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)N)C1 157381018 344105223 /nfs/dbraw/zinc/10/52/23/344105223.db2.gz CCYTWJAQOFOMDY-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H]([C@@H](C)N)C1 157381018 344105225 /nfs/dbraw/zinc/10/52/25/344105225.db2.gz CCYTWJAQOFOMDY-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO C1CC([NH2+][C@@H]2CCCNCC2)C1 157403916 344105765 /nfs/dbraw/zinc/10/57/65/344105765.db2.gz CEXRIVXOLMBGME-SNVBAGLBSA-N 1 3 168.284 1.271 10 0 ADAEHO N[C@@H]1CC[NH2+]Cc2ccccc21 157399782 344105773 /nfs/dbraw/zinc/10/57/73/344105773.db2.gz YUUADCOBJYHKNU-SNVBAGLBSA-N 1 3 162.236 1.180 10 0 ADAEHO N[C@H]1CC[NH2+]Cc2ccccc21 157399632 344105859 /nfs/dbraw/zinc/10/58/59/344105859.db2.gz YUUADCOBJYHKNU-JTQLQIEISA-N 1 3 162.236 1.180 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCNCC1 157404211 344106129 /nfs/dbraw/zinc/10/61/29/344106129.db2.gz AIYIKRQHJHZESG-BBBLOLIVSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[NH2+]CC1 157404211 344106132 /nfs/dbraw/zinc/10/61/32/344106132.db2.gz AIYIKRQHJHZESG-BBBLOLIVSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCNCC1 157404508 344106214 /nfs/dbraw/zinc/10/62/14/344106214.db2.gz AIYIKRQHJHZESG-OPRDCNLKSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CCC[NH2+]CC1 157404508 344106216 /nfs/dbraw/zinc/10/62/16/344106216.db2.gz AIYIKRQHJHZESG-OPRDCNLKSA-N 1 3 168.284 1.127 10 0 ADAEHO CSCCN[C@@H]1CCC[NH2+]CC1 157404809 344106245 /nfs/dbraw/zinc/10/62/45/344106245.db2.gz PFCYKDYYQHIVBF-SECBINFHSA-N 1 3 188.340 1.081 10 0 ADAEHO CSCCN[C@H]1CCC[NH2+]CC1 157404975 344106310 /nfs/dbraw/zinc/10/63/10/344106310.db2.gz PFCYKDYYQHIVBF-VIFPVBQESA-N 1 3 188.340 1.081 10 0 ADAEHO C1CC([NH2+][C@H]2CCCNCC2)C1 157404066 344106340 /nfs/dbraw/zinc/10/63/40/344106340.db2.gz CEXRIVXOLMBGME-JTQLQIEISA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@H]1C[N@@H+](C2CCCC2)CC[C@@H]1N 157894251 344115944 /nfs/dbraw/zinc/11/59/44/344115944.db2.gz CTKYCLGNYGBTKH-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCN(C[C@H]([NH3+])C2CCCC2)C1 157877747 344115980 /nfs/dbraw/zinc/11/59/80/344115980.db2.gz RQMYJBRUFXYUEW-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1C[N@@H+](C2CCCC2)CC[C@@H]1N 157894095 344116311 /nfs/dbraw/zinc/11/63/11/344116311.db2.gz CTKYCLGNYGBTKH-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1C[N@H+](C2CCCC2)CC[C@@H]1N 157894095 344116313 /nfs/dbraw/zinc/11/63/13/344116313.db2.gz CTKYCLGNYGBTKH-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CCN(C[C@H]([NH3+])C2CCCC2)C1 157877896 344116331 /nfs/dbraw/zinc/11/63/31/344116331.db2.gz RQMYJBRUFXYUEW-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO Nc1ccncc1C1(F)CC[NH2+]CC1 158107927 344118769 /nfs/dbraw/zinc/11/87/69/344118769.db2.gz RPIVLVUACLHORX-UHFFFAOYSA-N 1 3 195.241 1.212 10 0 ADAEHO F[C@]1([C@@H]2CCCCC[NH2+]2)CCNC1 158185542 344120675 /nfs/dbraw/zinc/12/06/75/344120675.db2.gz RQMFPFMEVDZYQO-VHSXEESVSA-N 1 3 186.274 1.220 10 0 ADAEHO F[C@@]1([C@@H]2CCCCC[NH2+]2)CCNC1 158185231 344120771 /nfs/dbraw/zinc/12/07/71/344120771.db2.gz RQMFPFMEVDZYQO-UWVGGRQHSA-N 1 3 186.274 1.220 10 0 ADAEHO F[C@@]1([C@H]2CCCCC[NH2+]2)CCNC1 158185097 344120788 /nfs/dbraw/zinc/12/07/88/344120788.db2.gz RQMFPFMEVDZYQO-ZJUUUORDSA-N 1 3 186.274 1.220 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@]2(F)CCNC2)C1 158189540 344121399 /nfs/dbraw/zinc/12/13/99/344121399.db2.gz VPDRJPDRCIFANB-BBBLOLIVSA-N 1 3 186.274 1.076 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@]2(F)CCNC2)C1 158189248 344121523 /nfs/dbraw/zinc/12/15/23/344121523.db2.gz VPDRJPDRCIFANB-UTLUCORTSA-N 1 3 186.274 1.076 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H]1CN 158276772 344123231 /nfs/dbraw/zinc/12/32/31/344123231.db2.gz TWDOYXDZYQLFBC-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H]1CN 158276772 344123233 /nfs/dbraw/zinc/12/32/33/344123233.db2.gz TWDOYXDZYQLFBC-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@H](N2CCCC2=[NH2+])CCN1C 158347076 344124877 /nfs/dbraw/zinc/12/48/77/344124877.db2.gz VBLYBKSEZWRCSG-VHSXEESVSA-N 1 3 195.310 1.542 10 0 ADAEHO C[C@@H]1C[C@H](N2CCCC2=[NH2+])CCN1C 158346939 344125078 /nfs/dbraw/zinc/12/50/78/344125078.db2.gz VBLYBKSEZWRCSG-NXEZZACHSA-N 1 3 195.310 1.542 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 158485735 344127655 /nfs/dbraw/zinc/12/76/55/344127655.db2.gz INFOFSRVSWOXFA-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 158485735 344127656 /nfs/dbraw/zinc/12/76/56/344127656.db2.gz INFOFSRVSWOXFA-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C1 158595777 344129443 /nfs/dbraw/zinc/12/94/43/344129443.db2.gz KDQZVHIZUWXLBD-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 158595777 344129446 /nfs/dbraw/zinc/12/94/46/344129446.db2.gz KDQZVHIZUWXLBD-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H](C)[N@H+](C[C@@H]2CCCNC2)C1 158595509 344129648 /nfs/dbraw/zinc/12/96/48/344129648.db2.gz KDQZVHIZUWXLBD-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 158595509 344129649 /nfs/dbraw/zinc/12/96/49/344129649.db2.gz KDQZVHIZUWXLBD-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H](NC(=[NH2+])C2CC2)CCN1C 159105368 344138711 /nfs/dbraw/zinc/13/87/11/344138711.db2.gz MVICTIITDXSZFL-WCBMZHEXSA-N 1 3 195.310 1.446 10 0 ADAEHO CC(=[NH2+])N[C@@H]1CCN(C)[C@H](C)C1 159104310 344138764 /nfs/dbraw/zinc/13/87/64/344138764.db2.gz VHKRRQXOHFEQOL-VXNVDRBHSA-N 1 3 169.272 1.056 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN(C)[C@H](C)C1 159102634 344138804 /nfs/dbraw/zinc/13/88/04/344138804.db2.gz JEIWRMZNKJURAM-RKDXNWHRSA-N 1 3 183.299 1.446 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN(C)[C@H](C)C1 159102777 344138893 /nfs/dbraw/zinc/13/88/93/344138893.db2.gz JEIWRMZNKJURAM-BDAKNGLRSA-N 1 3 183.299 1.446 10 0 ADAEHO CC(=[NH2+])N[C@@H]1CCN(C)[C@@H](C)C1 159104521 344139022 /nfs/dbraw/zinc/13/90/22/344139022.db2.gz VHKRRQXOHFEQOL-IONNQARKSA-N 1 3 169.272 1.056 10 0 ADAEHO C[C@@H]1C[C@H](NC(=[NH2+])C2CC2)CCN1C 159105215 344139094 /nfs/dbraw/zinc/13/90/94/344139094.db2.gz MVICTIITDXSZFL-PSASIEDQSA-N 1 3 195.310 1.446 10 0 ADAEHO c1cc(NCC[C@H]2CCC[NH2+]2)ccn1 159288881 344141745 /nfs/dbraw/zinc/14/17/45/344141745.db2.gz OBVYMPLCEVTCGJ-SNVBAGLBSA-N 1 3 191.278 1.636 10 0 ADAEHO c1cc(NCC[C@@H]2CCC[NH2+]2)ccn1 159288743 344142076 /nfs/dbraw/zinc/14/20/76/344142076.db2.gz OBVYMPLCEVTCGJ-JTQLQIEISA-N 1 3 191.278 1.636 10 0 ADAEHO CSC[C@@H](C)N1CCC([NH3+])CC1 159501259 344146245 /nfs/dbraw/zinc/14/62/45/344146245.db2.gz CYLNQMKXLPEUBI-MRVPVSSYSA-N 1 3 188.340 1.161 10 0 ADAEHO CSC[C@H](C)N1CCC([NH3+])CC1 159501129 344146415 /nfs/dbraw/zinc/14/64/15/344146415.db2.gz CYLNQMKXLPEUBI-QMMMGPOBSA-N 1 3 188.340 1.161 10 0 ADAEHO CC1(C)CC(C)(C)CC(N)(C[NH3+])C1 160443201 344166570 /nfs/dbraw/zinc/16/65/70/344166570.db2.gz ABHSRJOGYGTRKJ-UHFFFAOYSA-N 1 3 184.327 1.879 10 0 ADAEHO CC1(C)CN(CC2=CC[NH2+]CC2)C1 160527288 344168581 /nfs/dbraw/zinc/16/85/81/344168581.db2.gz MUOPNPXPNDAMMT-UHFFFAOYSA-N 1 3 180.295 1.248 10 0 ADAEHO CC(C)N[C@@H]1CCC[NH2+][C@@H]1C 160559993 344169628 /nfs/dbraw/zinc/16/96/28/344169628.db2.gz MCWXTHTUONWWHL-RKDXNWHRSA-N 1 3 156.273 1.125 10 0 ADAEHO CC(C)N[C@H]1CCC[NH2+][C@H]1C 160560371 344169877 /nfs/dbraw/zinc/16/98/77/344169877.db2.gz MCWXTHTUONWWHL-IUCAKERBSA-N 1 3 156.273 1.125 10 0 ADAEHO CC(C)N[C@H]1CCC[NH2+][C@@H]1C 160560248 344169882 /nfs/dbraw/zinc/16/98/82/344169882.db2.gz MCWXTHTUONWWHL-BDAKNGLRSA-N 1 3 156.273 1.125 10 0 ADAEHO CC(C)N[C@@H]1CCC[NH2+][C@H]1C 160560129 344169899 /nfs/dbraw/zinc/16/98/99/344169899.db2.gz MCWXTHTUONWWHL-DTWKUNHWSA-N 1 3 156.273 1.125 10 0 ADAEHO CC1(C)C[NH+](C2(C)CCNCC2)C1 160587852 344170717 /nfs/dbraw/zinc/17/07/17/344170717.db2.gz WKCAVVWAKZNYCR-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@@H+](C2CCCC2)C1 160580655 344170734 /nfs/dbraw/zinc/17/07/34/344170734.db2.gz PBTZMAUKBOQAFY-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)[C@H]1CC[N@H+](C2CCCC2)C1 160580655 344170737 /nfs/dbraw/zinc/17/07/37/344170737.db2.gz PBTZMAUKBOQAFY-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+](C2CCCC2)C1 160580526 344170807 /nfs/dbraw/zinc/17/08/07/344170807.db2.gz PBTZMAUKBOQAFY-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+](C2CCCC2)C1 160580526 344170809 /nfs/dbraw/zinc/17/08/09/344170809.db2.gz PBTZMAUKBOQAFY-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1([NH+]2CC=CC2)CCNCC1 160586069 344170837 /nfs/dbraw/zinc/17/08/37/344170837.db2.gz NHGZXLUUUKQAPR-UHFFFAOYSA-N 1 3 166.268 1.000 10 0 ADAEHO CC1(N2CC=CC2)CC[NH2+]CC1 160586069 344170838 /nfs/dbraw/zinc/17/08/38/344170838.db2.gz NHGZXLUUUKQAPR-UHFFFAOYSA-N 1 3 166.268 1.000 10 0 ADAEHO C[C@@H]1CC[N@@H+]1C1(C)CCNCC1 160587974 344170863 /nfs/dbraw/zinc/17/08/63/344170863.db2.gz LHXPTKQWLCTCGT-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CC[N@H+]1C1(C)CCNCC1 160587974 344170864 /nfs/dbraw/zinc/17/08/64/344170864.db2.gz LHXPTKQWLCTCGT-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CCN1C1(C)CC[NH2+]CC1 160587974 344170867 /nfs/dbraw/zinc/17/08/67/344170867.db2.gz LHXPTKQWLCTCGT-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CC[N@@H+]1C1(C)CCNCC1 160588097 344171006 /nfs/dbraw/zinc/17/10/06/344171006.db2.gz LHXPTKQWLCTCGT-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CC[N@H+]1C1(C)CCNCC1 160588097 344171007 /nfs/dbraw/zinc/17/10/07/344171007.db2.gz LHXPTKQWLCTCGT-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CCN1C1(C)CC[NH2+]CC1 160588097 344171009 /nfs/dbraw/zinc/17/10/09/344171009.db2.gz LHXPTKQWLCTCGT-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC1([NH2+]C2CCCC2)CCNCC1 160586353 344171021 /nfs/dbraw/zinc/17/10/21/344171021.db2.gz DIKGSAHNEZCWTH-UHFFFAOYSA-N 1 3 182.311 1.661 10 0 ADAEHO CC1C[NH+](C2(C)CCNCC2)C1 160585512 344171056 /nfs/dbraw/zinc/17/10/56/344171056.db2.gz WDQOXYZKIPEYDQ-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1CN(C2(C)CC[NH2+]CC2)C1 160585512 344171057 /nfs/dbraw/zinc/17/10/57/344171057.db2.gz WDQOXYZKIPEYDQ-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]([NH3+])[C@H]1CCN(c2ccncc2)C1 160622477 344171675 /nfs/dbraw/zinc/17/16/75/344171675.db2.gz VIBAOTBTFHKIPG-ZJUUUORDSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@@H]([NH3+])[C@@H]1CCN(c2ccncc2)C1 160622239 344171786 /nfs/dbraw/zinc/17/17/86/344171786.db2.gz VIBAOTBTFHKIPG-NXEZZACHSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@H]([NH3+])[C@@H]1CCN(c2ccncc2)C1 160622116 344171862 /nfs/dbraw/zinc/17/18/62/344171862.db2.gz VIBAOTBTFHKIPG-VHSXEESVSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@H]([NH3+])[C@H]1CCN(c2ccncc2)C1 160622361 344172021 /nfs/dbraw/zinc/17/20/21/344172021.db2.gz VIBAOTBTFHKIPG-UWVGGRQHSA-N 1 3 191.278 1.255 10 0 ADAEHO C1CC(C[NH2+][C@H]2CCCNCC2)C1 160661987 344173131 /nfs/dbraw/zinc/17/31/31/344173131.db2.gz GPJPSTNZEHYCTN-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO CN[C@@H]1CC[NH2+]Cc2ccccc21 160654078 344173146 /nfs/dbraw/zinc/17/31/46/344173146.db2.gz GRIOGHSNGNKXSI-LLVKDONJSA-N 1 3 176.263 1.440 10 0 ADAEHO C1CCC(C[NH2+][C@H]2CCCNCC2)C1 160662796 344173196 /nfs/dbraw/zinc/17/31/96/344173196.db2.gz CEMPCXGNBLVJAV-LBPRGKRZSA-N 1 3 196.338 1.908 10 0 ADAEHO CN[C@H]1CC[NH2+]Cc2ccccc21 160654196 344173402 /nfs/dbraw/zinc/17/34/02/344173402.db2.gz GRIOGHSNGNKXSI-NSHDSACASA-N 1 3 176.263 1.440 10 0 ADAEHO C1CCC(C[NH2+][C@@H]2CCCNCC2)C1 160662686 344173454 /nfs/dbraw/zinc/17/34/54/344173454.db2.gz CEMPCXGNBLVJAV-GFCCVEGCSA-N 1 3 196.338 1.908 10 0 ADAEHO C1=C(CN2CC3(CC3)C2)CC[NH2+]C1 160702474 344174524 /nfs/dbraw/zinc/17/45/24/344174524.db2.gz DBEFKHXKVIDWKT-UHFFFAOYSA-N 1 3 178.279 1.002 10 0 ADAEHO CC1([NH+]2CC3(CC3)C2)CCNCC1 160705822 344175126 /nfs/dbraw/zinc/17/51/26/344175126.db2.gz VHGREVNLWCWSNY-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO CC(C)N(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 162318447 344205785 /nfs/dbraw/zinc/20/57/85/344205785.db2.gz AFMUTNPZIUKLMS-ZACCUICWSA-N 1 3 182.311 1.610 10 0 ADAEHO C[C@@H]([NH+]1CCC(N)CC1)C(C)(C)C 162813921 344214187 /nfs/dbraw/zinc/21/41/87/344214187.db2.gz VDVNPSIWCFWYFW-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]([NH+]1CCC(N)CC1)C(C)(C)C 162813844 344214078 /nfs/dbraw/zinc/21/40/78/344214078.db2.gz VDVNPSIWCFWYFW-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N1CCC([NH3+])CC1)C(C)(C)C 162813844 344214080 /nfs/dbraw/zinc/21/40/80/344214080.db2.gz VDVNPSIWCFWYFW-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N1CCC([NH3+])CC1)C(C)(C)C 162813921 344214189 /nfs/dbraw/zinc/21/41/89/344214189.db2.gz VDVNPSIWCFWYFW-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+]C/C=C/CNc1ccncc1 164536926 344246410 /nfs/dbraw/zinc/24/64/10/344246410.db2.gz ZRVVRZRZNDLQFC-OWOJBTEDSA-N 1 3 163.224 1.008 10 0 ADAEHO CC1CC[NH+](C[C@@H](C)[C@@H](C)N)CC1 164935519 344254855 /nfs/dbraw/zinc/25/48/55/344254855.db2.gz CALJFRJIORFXAY-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1CC1CNC1 164940146 344255054 /nfs/dbraw/zinc/25/50/54/344255054.db2.gz DLJLLEXOOXDXKG-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CCCC[N@H+]1CC1CNC1 164940146 344255057 /nfs/dbraw/zinc/25/50/57/344255057.db2.gz DLJLLEXOOXDXKG-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CCCCN1CC1C[NH2+]C1 164940146 344255059 /nfs/dbraw/zinc/25/50/59/344255059.db2.gz DLJLLEXOOXDXKG-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1CC1CNC1 164940053 344255146 /nfs/dbraw/zinc/25/51/46/344255146.db2.gz DLJLLEXOOXDXKG-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1CC1CNC1 164940053 344255148 /nfs/dbraw/zinc/25/51/48/344255148.db2.gz DLJLLEXOOXDXKG-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCCCN1CC1C[NH2+]C1 164940053 344255152 /nfs/dbraw/zinc/25/51/52/344255152.db2.gz DLJLLEXOOXDXKG-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1CC[NH+](C[C@H](C)[C@H](C)N)CC1 164935895 344255320 /nfs/dbraw/zinc/25/53/20/344255320.db2.gz CALJFRJIORFXAY-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1CC[NH+](C[C@@H](C)[C@H](C)N)CC1 164935758 344255392 /nfs/dbraw/zinc/25/53/92/344255392.db2.gz CALJFRJIORFXAY-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)[C@@H](C)C[NH+]1CCCCCC1 164947277 344255519 /nfs/dbraw/zinc/25/55/19/344255519.db2.gz LCWWURWXMFGFOW-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)[C@H](C)C[NH+]1CCCCCC1 164947139 344255561 /nfs/dbraw/zinc/25/55/61/344255561.db2.gz LCWWURWXMFGFOW-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH+]1CCCCCC1 164947396 344255568 /nfs/dbraw/zinc/25/55/68/344255568.db2.gz LCWWURWXMFGFOW-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1C[C@@H](C)C[NH+](CC2CNC2)C1 164966922 344255754 /nfs/dbraw/zinc/25/57/54/344255754.db2.gz XJRBJQMSQVZYQZ-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1C[C@@H](C)CN(CC2C[NH2+]C2)C1 164966922 344255757 /nfs/dbraw/zinc/25/57/57/344255757.db2.gz XJRBJQMSQVZYQZ-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1C[C@H](C)C[NH+](CC2CNC2)C1 164966794 344255769 /nfs/dbraw/zinc/25/57/69/344255769.db2.gz XJRBJQMSQVZYQZ-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1C[C@H](C)CN(CC2C[NH2+]C2)C1 164966794 344255772 /nfs/dbraw/zinc/25/57/72/344255772.db2.gz XJRBJQMSQVZYQZ-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H](C[NH+]1CCCCCC1)[C@@H](C)N 164947018 344255819 /nfs/dbraw/zinc/25/58/19/344255819.db2.gz LCWWURWXMFGFOW-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+](CC2CNC2)C1 164966673 344255852 /nfs/dbraw/zinc/25/58/52/344255852.db2.gz XJRBJQMSQVZYQZ-AOOOYVTPSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+](CC2CNC2)C1 164966673 344255853 /nfs/dbraw/zinc/25/58/53/344255853.db2.gz XJRBJQMSQVZYQZ-AOOOYVTPSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1C[C@@H](C)CN(CC2C[NH2+]C2)C1 164966673 344255855 /nfs/dbraw/zinc/25/58/55/344255855.db2.gz XJRBJQMSQVZYQZ-AOOOYVTPSA-N 1 3 182.311 1.184 10 0 ADAEHO C1CCC[NH+](CC2CNC2)CC1 164946908 344255859 /nfs/dbraw/zinc/25/58/59/344255859.db2.gz WFHYSEKIVAKEGQ-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C1CCCN(CC2C[NH2+]C2)CC1 164946908 344255861 /nfs/dbraw/zinc/25/58/61/344255861.db2.gz WFHYSEKIVAKEGQ-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C[C@@H]1CCC[C@@H](C)N1CC1C[NH2+]C1 164970251 344255950 /nfs/dbraw/zinc/25/59/50/344255950.db2.gz UUTGPQFOLOYTEZ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[C@H](C)[NH+]1CC1CNC1 164970113 344256200 /nfs/dbraw/zinc/25/62/00/344256200.db2.gz UUTGPQFOLOYTEZ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[C@H](C)N1CC1C[NH2+]C1 164970113 344256203 /nfs/dbraw/zinc/25/62/03/344256203.db2.gz UUTGPQFOLOYTEZ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+](CC1CNC1)C1CCCC1 164981400 344256267 /nfs/dbraw/zinc/25/62/67/344256267.db2.gz IFRKJYMVPRLBSZ-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@@H+](CC1CNC1)C1CCCC1 164981400 344256269 /nfs/dbraw/zinc/25/62/69/344256269.db2.gz IFRKJYMVPRLBSZ-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CN(CC1C[NH2+]C1)C1CCCC1 164981400 344256272 /nfs/dbraw/zinc/25/62/72/344256272.db2.gz IFRKJYMVPRLBSZ-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@H]1CCCC[N@@H+]1CC1CNC1 164980896 344256302 /nfs/dbraw/zinc/25/63/02/344256302.db2.gz IEAWUPKCTMGGOO-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1CCCC[N@H+]1CC1CNC1 164980896 344256304 /nfs/dbraw/zinc/25/63/04/344256304.db2.gz IEAWUPKCTMGGOO-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1CCCCN1CC1C[NH2+]C1 164980896 344256306 /nfs/dbraw/zinc/25/63/06/344256306.db2.gz IEAWUPKCTMGGOO-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO C1CCC[NH+](CC2CNC2)CCC1 164976318 344256323 /nfs/dbraw/zinc/25/63/23/344256323.db2.gz VSMMVZBJXHJSGR-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CC[C@H]1CCCC[N@@H+]1CC1CNC1 164981013 344256328 /nfs/dbraw/zinc/25/63/28/344256328.db2.gz IEAWUPKCTMGGOO-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1CCCC[N@H+]1CC1CNC1 164981013 344256330 /nfs/dbraw/zinc/25/63/30/344256330.db2.gz IEAWUPKCTMGGOO-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1CCCCN1CC1C[NH2+]C1 164981013 344256331 /nfs/dbraw/zinc/25/63/31/344256331.db2.gz IEAWUPKCTMGGOO-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1CC1CNC1 165034871 344256972 /nfs/dbraw/zinc/25/69/72/344256972.db2.gz JQLIDRUKAVCWBE-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H]1CCC[N@H+]1CC1CNC1 165034871 344256975 /nfs/dbraw/zinc/25/69/75/344256975.db2.gz JQLIDRUKAVCWBE-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1CC1CNC1 165034739 344257106 /nfs/dbraw/zinc/25/71/06/344257106.db2.gz JQLIDRUKAVCWBE-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1CC1CNC1 165034739 344257109 /nfs/dbraw/zinc/25/71/09/344257109.db2.gz JQLIDRUKAVCWBE-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@H]1CCC[N@H+](CC2CNC2)C1 165017408 344257194 /nfs/dbraw/zinc/25/71/94/344257194.db2.gz FYMZDPSDHVTPLJ-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](CC2CNC2)C1 165017408 344257195 /nfs/dbraw/zinc/25/71/95/344257195.db2.gz FYMZDPSDHVTPLJ-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@@H]1CCCN(CC2C[NH2+]C2)C1 165017408 344257197 /nfs/dbraw/zinc/25/71/97/344257197.db2.gz FYMZDPSDHVTPLJ-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@H]1CCC[N@H+](CC2CNC2)C1 165017519 344257223 /nfs/dbraw/zinc/25/72/23/344257223.db2.gz FYMZDPSDHVTPLJ-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@H]1CCC[N@@H+](CC2CNC2)C1 165017519 344257225 /nfs/dbraw/zinc/25/72/25/344257225.db2.gz FYMZDPSDHVTPLJ-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO CC[C@H]1CCCN(CC2C[NH2+]C2)C1 165017519 344257227 /nfs/dbraw/zinc/25/72/27/344257227.db2.gz FYMZDPSDHVTPLJ-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C1CCCC([NH2+]CC2CNC2)CC1 165037064 344257234 /nfs/dbraw/zinc/25/72/34/344257234.db2.gz BTKFBKFUVISVQF-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@@H](CNCc1ccccc1)[C@@H](C)[NH3+] 165052610 344257384 /nfs/dbraw/zinc/25/73/84/344257384.db2.gz YFXLMUKABFMXTL-WDEREUQCSA-N 1 3 192.306 1.760 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CNCc1ccccc1 165052987 344257485 /nfs/dbraw/zinc/25/74/85/344257485.db2.gz YFXLMUKABFMXTL-MNOVXSKESA-N 1 3 192.306 1.760 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CNCc1ccccc1 165052857 344257630 /nfs/dbraw/zinc/25/76/30/344257630.db2.gz YFXLMUKABFMXTL-QWRGUYRKSA-N 1 3 192.306 1.760 10 0 ADAEHO C[C@@H]1CCC[C@H]([N@H+](C)CC2CNC2)C1 165098448 344257900 /nfs/dbraw/zinc/25/79/00/344257900.db2.gz SHCNVLXOAFYHCI-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[C@H]([N@@H+](C)CC2CNC2)C1 165098448 344257903 /nfs/dbraw/zinc/25/79/03/344257903.db2.gz SHCNVLXOAFYHCI-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[C@H](N(C)CC2C[NH2+]C2)C1 165098448 344257905 /nfs/dbraw/zinc/25/79/05/344257905.db2.gz SHCNVLXOAFYHCI-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[C@@H]([N@H+](C)CC2CNC2)C1 165098655 344258007 /nfs/dbraw/zinc/25/80/07/344258007.db2.gz SHCNVLXOAFYHCI-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[C@@H]([N@@H+](C)CC2CNC2)C1 165098655 344258008 /nfs/dbraw/zinc/25/80/08/344258008.db2.gz SHCNVLXOAFYHCI-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[C@@H](N(C)CC2C[NH2+]C2)C1 165098655 344258009 /nfs/dbraw/zinc/25/80/09/344258009.db2.gz SHCNVLXOAFYHCI-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCC[C@H]([N@H+](C)CC2CNC2)C1 165098562 344258123 /nfs/dbraw/zinc/25/81/23/344258123.db2.gz SHCNVLXOAFYHCI-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCC[C@H]([N@@H+](C)CC2CNC2)C1 165098562 344258124 /nfs/dbraw/zinc/25/81/24/344258124.db2.gz SHCNVLXOAFYHCI-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCC[C@H](N(C)CC2C[NH2+]C2)C1 165098562 344258125 /nfs/dbraw/zinc/25/81/25/344258125.db2.gz SHCNVLXOAFYHCI-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1CNC1 165141698 344258916 /nfs/dbraw/zinc/25/89/16/344258916.db2.gz OPXGEOSWBLSDOX-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1CNC1 165141698 344258918 /nfs/dbraw/zinc/25/89/18/344258918.db2.gz OPXGEOSWBLSDOX-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1CNC1 165141588 344259135 /nfs/dbraw/zinc/25/91/35/344259135.db2.gz OPXGEOSWBLSDOX-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1CNC1 165141588 344259137 /nfs/dbraw/zinc/25/91/37/344259137.db2.gz OPXGEOSWBLSDOX-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CCN(CC2C[NH2+]C2)CC1 165191596 344259410 /nfs/dbraw/zinc/25/94/10/344259410.db2.gz QWIDREZZJGTPSX-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CC[NH+](CC2CNC2)CC1 165191596 344259412 /nfs/dbraw/zinc/25/94/12/344259412.db2.gz QWIDREZZJGTPSX-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCC[N@H+](CC2CNC2)[C@@H]1C 165181766 344259452 /nfs/dbraw/zinc/25/94/52/344259452.db2.gz JDWKEEKEXYFCII-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCC[N@@H+](CC2CNC2)[C@@H]1C 165181766 344259455 /nfs/dbraw/zinc/25/94/55/344259455.db2.gz JDWKEEKEXYFCII-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCCN(CC2C[NH2+]C2)[C@@H]1C 165181766 344259456 /nfs/dbraw/zinc/25/94/56/344259456.db2.gz JDWKEEKEXYFCII-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCC[N@H+](CC2CNC2)[C@@H]1C 165181884 344259611 /nfs/dbraw/zinc/25/96/11/344259611.db2.gz JDWKEEKEXYFCII-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCC[N@@H+](CC2CNC2)[C@@H]1C 165181884 344259612 /nfs/dbraw/zinc/25/96/12/344259612.db2.gz JDWKEEKEXYFCII-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCCN(CC2C[NH2+]C2)[C@@H]1C 165181884 344259613 /nfs/dbraw/zinc/25/96/13/344259613.db2.gz JDWKEEKEXYFCII-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CNC2)[C@H](C)C1 165184602 344259637 /nfs/dbraw/zinc/25/96/37/344259637.db2.gz UWEFAVGZQVVLFQ-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CNC2)[C@H](C)C1 165184602 344259638 /nfs/dbraw/zinc/25/96/38/344259638.db2.gz UWEFAVGZQVVLFQ-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCN(CC2C[NH2+]C2)[C@H](C)C1 165184602 344259639 /nfs/dbraw/zinc/25/96/39/344259639.db2.gz UWEFAVGZQVVLFQ-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCC[N@H+](CC2CNC2)CC1 165209259 344259974 /nfs/dbraw/zinc/25/99/74/344259974.db2.gz FELLPEFRNCIAPK-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCC[N@@H+](CC2CNC2)CC1 165209259 344259976 /nfs/dbraw/zinc/25/99/76/344259976.db2.gz FELLPEFRNCIAPK-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCCN(CC2C[NH2+]C2)CC1 165209259 344259977 /nfs/dbraw/zinc/25/99/77/344259977.db2.gz FELLPEFRNCIAPK-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CCCN(CC2C[NH2+]C2)C1 165218884 344260006 /nfs/dbraw/zinc/26/00/06/344260006.db2.gz BKXOERHDEBFABR-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CCC[N@H+](CC2CNC2)C1 165218884 344260007 /nfs/dbraw/zinc/26/00/07/344260007.db2.gz BKXOERHDEBFABR-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CCC[N@@H+](CC2CNC2)C1 165218884 344260008 /nfs/dbraw/zinc/26/00/08/344260008.db2.gz BKXOERHDEBFABR-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCCCC[N@@H+]1CC1CNC1 165219976 344260085 /nfs/dbraw/zinc/26/00/85/344260085.db2.gz RCWOUPAVUGUWMN-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCCCC[N@H+]1CC1CNC1 165219976 344260087 /nfs/dbraw/zinc/26/00/87/344260087.db2.gz RCWOUPAVUGUWMN-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCC[N@H+](CC2CNC2)CC1 165209380 344260093 /nfs/dbraw/zinc/26/00/93/344260093.db2.gz FELLPEFRNCIAPK-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCC[N@@H+](CC2CNC2)CC1 165209380 344260094 /nfs/dbraw/zinc/26/00/94/344260094.db2.gz FELLPEFRNCIAPK-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCCN(CC2C[NH2+]C2)CC1 165209380 344260095 /nfs/dbraw/zinc/26/00/95/344260095.db2.gz FELLPEFRNCIAPK-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)C(NCC2C[NH2+]C2)C1(C)C 165246907 344260459 /nfs/dbraw/zinc/26/04/59/344260459.db2.gz XNHVHFVBJRISLK-UHFFFAOYSA-N 1 3 182.311 1.230 10 0 ADAEHO CC1(C)C([NH2+]CC2CNC2)C1(C)C 165246907 344260461 /nfs/dbraw/zinc/26/04/61/344260461.db2.gz XNHVHFVBJRISLK-UHFFFAOYSA-N 1 3 182.311 1.230 10 0 ADAEHO CC1(C)CCC[N@@H+](CC2CNC2)CC1 165233201 344260501 /nfs/dbraw/zinc/26/05/01/344260501.db2.gz HCZRGFBSWWZIAV-UHFFFAOYSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1CC1CNC1 165238667 344260505 /nfs/dbraw/zinc/26/05/05/344260505.db2.gz ONTPPNGZSZTSAE-NSHDSACASA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1CC1CNC1 165238667 344260506 /nfs/dbraw/zinc/26/05/06/344260506.db2.gz ONTPPNGZSZTSAE-NSHDSACASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@H](C)[N@H+](CC2CNC2)C1 165237958 344260515 /nfs/dbraw/zinc/26/05/15/344260515.db2.gz XIEXTUHYMSXWIY-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@H](C)[N@@H+](CC2CNC2)C1 165237958 344260516 /nfs/dbraw/zinc/26/05/16/344260516.db2.gz XIEXTUHYMSXWIY-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@H](C)N(CC2C[NH2+]C2)C1 165237958 344260517 /nfs/dbraw/zinc/26/05/17/344260517.db2.gz XIEXTUHYMSXWIY-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+](CC2CNC2)C1 165238142 344260556 /nfs/dbraw/zinc/26/05/56/344260556.db2.gz XIEXTUHYMSXWIY-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+](CC2CNC2)C1 165238142 344260557 /nfs/dbraw/zinc/26/05/57/344260557.db2.gz XIEXTUHYMSXWIY-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)N(CC2C[NH2+]C2)C1 165238142 344260558 /nfs/dbraw/zinc/26/05/58/344260558.db2.gz XIEXTUHYMSXWIY-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+]1CC1CNC1 165238755 344260622 /nfs/dbraw/zinc/26/06/22/344260622.db2.gz ONTPPNGZSZTSAE-LLVKDONJSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+]1CC1CNC1 165238755 344260623 /nfs/dbraw/zinc/26/06/23/344260623.db2.gz ONTPPNGZSZTSAE-LLVKDONJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[N@H+](CC2CNC2)C1 165238059 344260630 /nfs/dbraw/zinc/26/06/30/344260630.db2.gz XIEXTUHYMSXWIY-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[N@@H+](CC2CNC2)C1 165238059 344260632 /nfs/dbraw/zinc/26/06/32/344260632.db2.gz XIEXTUHYMSXWIY-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[C@@H](C)N(CC2C[NH2+]C2)C1 165238059 344260634 /nfs/dbraw/zinc/26/06/34/344260634.db2.gz XIEXTUHYMSXWIY-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1CC1CNC1 165237878 344260651 /nfs/dbraw/zinc/26/06/51/344260651.db2.gz XIEXTUHYMSXWIY-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1CC1CNC1 165237878 344260653 /nfs/dbraw/zinc/26/06/53/344260653.db2.gz XIEXTUHYMSXWIY-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)CN1CC1C[NH2+]C1 165237878 344260654 /nfs/dbraw/zinc/26/06/54/344260654.db2.gz XIEXTUHYMSXWIY-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1CC[C@H](C)[N@@H+]1CC1CNC1 165275420 344260937 /nfs/dbraw/zinc/26/09/37/344260937.db2.gz HUQHQJFMCPUXOW-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC1CNC1 165275654 344261035 /nfs/dbraw/zinc/26/10/35/344261035.db2.gz HUQHQJFMCPUXOW-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[C@@H](C)[N@H+]1CC1CNC1 165275654 344261036 /nfs/dbraw/zinc/26/10/36/344261036.db2.gz HUQHQJFMCPUXOW-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CC[C@@H](C)[N@@H+]1CC1CNC1 165275777 344261062 /nfs/dbraw/zinc/26/10/62/344261062.db2.gz HUQHQJFMCPUXOW-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CC[C@@H](C)[N@H+]1CC1CNC1 165275777 344261064 /nfs/dbraw/zinc/26/10/64/344261064.db2.gz HUQHQJFMCPUXOW-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)Nc1ccncc1 165745264 344268723 /nfs/dbraw/zinc/26/87/23/344268723.db2.gz VFKCWFWDUGBHMH-RKDXNWHRSA-N 1 3 179.267 1.619 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)Nc1ccncc1 165745383 344268797 /nfs/dbraw/zinc/26/87/97/344268797.db2.gz VFKCWFWDUGBHMH-IUCAKERBSA-N 1 3 179.267 1.619 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])Nc1ccncc1 165745488 344268884 /nfs/dbraw/zinc/26/88/84/344268884.db2.gz VFKCWFWDUGBHMH-BDAKNGLRSA-N 1 3 179.267 1.619 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)Nc1ccncc1 165745142 344269004 /nfs/dbraw/zinc/26/90/04/344269004.db2.gz VFKCWFWDUGBHMH-DTWKUNHWSA-N 1 3 179.267 1.619 10 0 ADAEHO C[C@@H]([NH3+])CN1CC[C@@H](C(C)(C)C)C1 166042522 344273631 /nfs/dbraw/zinc/27/36/31/344273631.db2.gz XMBXZQMMQULFOO-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1CN1CC=CCC1 166086599 344274183 /nfs/dbraw/zinc/27/41/83/344274183.db2.gz OMQMQASFSNTPIJ-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1CN1CC=CCC1 166086829 344274240 /nfs/dbraw/zinc/27/42/40/344274240.db2.gz OMQMQASFSNTPIJ-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CC=CCC1 166086482 344274376 /nfs/dbraw/zinc/27/43/76/344274376.db2.gz OMQMQASFSNTPIJ-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CC=CCC1 166098852 344274718 /nfs/dbraw/zinc/27/47/18/344274718.db2.gz KUAPZJMAXANZFJ-QWRGUYRKSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN1CC=CCC1 166108988 344274793 /nfs/dbraw/zinc/27/47/93/344274793.db2.gz DKUIIHJYUQKABD-WDEREUQCSA-N 1 3 180.295 1.104 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN1CC=CCC1 166109223 344274866 /nfs/dbraw/zinc/27/48/66/344274866.db2.gz DKUIIHJYUQKABD-QWRGUYRKSA-N 1 3 180.295 1.104 10 0 ADAEHO CC(C)(C[NH3+])CN1CC=CCC1 166111041 344274874 /nfs/dbraw/zinc/27/48/74/344274874.db2.gz YEDBTXRENZQGFH-UHFFFAOYSA-N 1 3 168.284 1.233 10 0 ADAEHO CC(C)(CN)C[N@H+]1CC=CCC1 166111041 344274876 /nfs/dbraw/zinc/27/48/76/344274876.db2.gz YEDBTXRENZQGFH-UHFFFAOYSA-N 1 3 168.284 1.233 10 0 ADAEHO CC(C)(CN)C[N@@H+]1CC=CCC1 166111041 344274878 /nfs/dbraw/zinc/27/48/78/344274878.db2.gz YEDBTXRENZQGFH-UHFFFAOYSA-N 1 3 168.284 1.233 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CC=CCC1 166109100 344274905 /nfs/dbraw/zinc/27/49/05/344274905.db2.gz DKUIIHJYUQKABD-MNOVXSKESA-N 1 3 180.295 1.104 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN1CC=CCC1 166098742 344274913 /nfs/dbraw/zinc/27/49/13/344274913.db2.gz KUAPZJMAXANZFJ-MNOVXSKESA-N 1 3 180.295 1.246 10 0 ADAEHO NC1(C[N@H+]2CC=CCC2)CCC1 166111411 344274951 /nfs/dbraw/zinc/27/49/51/344274951.db2.gz HIRXMEBYRXQCMQ-UHFFFAOYSA-N 1 3 166.268 1.130 10 0 ADAEHO NC1(C[N@@H+]2CC=CCC2)CCC1 166111411 344274952 /nfs/dbraw/zinc/27/49/52/344274952.db2.gz HIRXMEBYRXQCMQ-UHFFFAOYSA-N 1 3 166.268 1.130 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC=CCC1 166099089 344275016 /nfs/dbraw/zinc/27/50/16/344275016.db2.gz KUAPZJMAXANZFJ-WDEREUQCSA-N 1 3 180.295 1.246 10 0 ADAEHO [NH3+]CC1(CN2CC=CCC2)CCC1 166119584 344275025 /nfs/dbraw/zinc/27/50/25/344275025.db2.gz GAHDBNUEKJPCQT-UHFFFAOYSA-N 1 3 180.295 1.377 10 0 ADAEHO NCC1(C[N@@H+]2CC=CCC2)CCC1 166119584 344275028 /nfs/dbraw/zinc/27/50/28/344275028.db2.gz GAHDBNUEKJPCQT-UHFFFAOYSA-N 1 3 180.295 1.377 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN1CC=CCC1 166098977 344275076 /nfs/dbraw/zinc/27/50/76/344275076.db2.gz KUAPZJMAXANZFJ-GHMZBOCLSA-N 1 3 180.295 1.246 10 0 ADAEHO CC1=CC[N@H+](CC2(N)CCC2)CC1 166148626 344275401 /nfs/dbraw/zinc/27/54/01/344275401.db2.gz JSQJYFKABKALTB-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO CC1=CC[N@@H+](CC2(N)CCC2)CC1 166148626 344275403 /nfs/dbraw/zinc/27/54/03/344275403.db2.gz JSQJYFKABKALTB-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO CC1=CCN(C[C@@H](C)C[NH3+])CC1 166141767 344275469 /nfs/dbraw/zinc/27/54/69/344275469.db2.gz OYUZIBYKPJPZGB-JTQLQIEISA-N 1 3 168.284 1.233 10 0 ADAEHO CC1=CCN([C@H]2CC[C@@H]2C[NH3+])CC1 166275568 344277922 /nfs/dbraw/zinc/27/79/22/344277922.db2.gz JJJTZOXFLFNLAE-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCN([C@@H]2CC[C@@H]2C[NH3+])CC1 166275444 344277975 /nfs/dbraw/zinc/27/79/75/344277975.db2.gz JJJTZOXFLFNLAE-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO CC(C)(C)[C@@H]1CC[N@H+](CC2CNC2)C1 166291214 344278279 /nfs/dbraw/zinc/27/82/79/344278279.db2.gz VSPIDMAGLUMYEW-LLVKDONJSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)(C)[C@@H]1CC[N@@H+](CC2CNC2)C1 166291214 344278281 /nfs/dbraw/zinc/27/82/81/344278281.db2.gz VSPIDMAGLUMYEW-LLVKDONJSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)(C)[C@H]1CC[N@H+](CC2CNC2)C1 166291335 344278436 /nfs/dbraw/zinc/27/84/36/344278436.db2.gz VSPIDMAGLUMYEW-NSHDSACASA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)(C)[C@H]1CC[N@@H+](CC2CNC2)C1 166291335 344278437 /nfs/dbraw/zinc/27/84/37/344278437.db2.gz VSPIDMAGLUMYEW-NSHDSACASA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1[C@H](C)C[C@@H](C)C[N@H+]1CCCN 166325697 344279382 /nfs/dbraw/zinc/27/93/82/344279382.db2.gz BNRKBFSREWYTJW-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CCCN 166325697 344279385 /nfs/dbraw/zinc/27/93/85/344279385.db2.gz BNRKBFSREWYTJW-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+](CCCN)[C@H]1C 166325459 344279646 /nfs/dbraw/zinc/27/96/46/344279646.db2.gz BNRKBFSREWYTJW-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+](CCCN)[C@H]1C 166325459 344279649 /nfs/dbraw/zinc/27/96/49/344279649.db2.gz BNRKBFSREWYTJW-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CCN(CC2([NH3+])CCCC2)C1 166356391 344279906 /nfs/dbraw/zinc/27/99/06/344279906.db2.gz XMKQFTIPQRZCMF-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@H]1CCN(CC2([NH3+])CCCC2)C1 166356509 344279984 /nfs/dbraw/zinc/27/99/84/344279984.db2.gz XMKQFTIPQRZCMF-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 166351053 344280119 /nfs/dbraw/zinc/28/01/19/344280119.db2.gz CESCDLUBAAMCIR-VXGBXAGGSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 166351161 344280204 /nfs/dbraw/zinc/28/02/04/344280204.db2.gz CESCDLUBAAMCIR-NWDGAFQWSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 166690056 344287022 /nfs/dbraw/zinc/28/70/22/344287022.db2.gz LKXWTQMCXQPTNO-IJLUTSLNSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 166690056 344287025 /nfs/dbraw/zinc/28/70/25/344287025.db2.gz LKXWTQMCXQPTNO-IJLUTSLNSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 166700026 344287218 /nfs/dbraw/zinc/28/72/18/344287218.db2.gz RKDMIRONVBXHME-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 166700026 344287220 /nfs/dbraw/zinc/28/72/20/344287220.db2.gz RKDMIRONVBXHME-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[C@H]1CC[N@@H+](C2CC(N)C2)C1 166826051 344290080 /nfs/dbraw/zinc/29/00/80/344290080.db2.gz MCEKQBPXAFPJEQ-WHXUTIOJSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@H]1CC[N@H+](C2CC(N)C2)C1 166826051 344290083 /nfs/dbraw/zinc/29/00/83/344290083.db2.gz MCEKQBPXAFPJEQ-WHXUTIOJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C2CC(N)C2)C1 166825434 344290096 /nfs/dbraw/zinc/29/00/96/344290096.db2.gz FLKQBMUKWMRYCO-XNWIYYODSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1CC[N@H+](C2CC(N)C2)C1 166825434 344290098 /nfs/dbraw/zinc/29/00/98/344290098.db2.gz FLKQBMUKWMRYCO-XNWIYYODSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@H]1CC[N@@H+](C2CC(N)C2)C1 166825065 344290135 /nfs/dbraw/zinc/29/01/35/344290135.db2.gz PSSODNYYERAJNZ-WHXUTIOJSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@H]1CC[N@H+](C2CC(N)C2)C1 166825065 344290137 /nfs/dbraw/zinc/29/01/37/344290137.db2.gz PSSODNYYERAJNZ-WHXUTIOJSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC[C@@H]1CC[N@@H+](C2CC(N)C2)C1 166825938 344290178 /nfs/dbraw/zinc/29/01/78/344290178.db2.gz MCEKQBPXAFPJEQ-KPPDAEKUSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@@H]1CC[N@H+](C2CC(N)C2)C1 166825938 344290181 /nfs/dbraw/zinc/29/01/81/344290181.db2.gz MCEKQBPXAFPJEQ-KPPDAEKUSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+](C2CC(N)C2)C1 166824947 344290366 /nfs/dbraw/zinc/29/03/66/344290366.db2.gz PSSODNYYERAJNZ-KPPDAEKUSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+](C2CC(N)C2)C1 166824947 344290369 /nfs/dbraw/zinc/29/03/69/344290369.db2.gz PSSODNYYERAJNZ-KPPDAEKUSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@H]1CC[N@@H+](C2CC(N)C2)C1 166825550 344290411 /nfs/dbraw/zinc/29/04/11/344290411.db2.gz FLKQBMUKWMRYCO-IDKOKCKLSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1CC[N@H+](C2CC(N)C2)C1 166825550 344290412 /nfs/dbraw/zinc/29/04/12/344290412.db2.gz FLKQBMUKWMRYCO-IDKOKCKLSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+]C1CCN(C[C@H]2C[C@H]2C)CC1 167065310 344296299 /nfs/dbraw/zinc/29/62/99/344296299.db2.gz YDNFHXPACYDJFD-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC1CC[NH+](C[C@H]2C[C@H]2C)CC1 167065310 344296301 /nfs/dbraw/zinc/29/63/01/344296301.db2.gz YDNFHXPACYDJFD-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+]C1CCN(C[C@H]2C[C@@H]2C)CC1 167065422 344296888 /nfs/dbraw/zinc/29/68/88/344296888.db2.gz YDNFHXPACYDJFD-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC1CC[NH+](C[C@H]2C[C@@H]2C)CC1 167065422 344296890 /nfs/dbraw/zinc/29/68/90/344296890.db2.gz YDNFHXPACYDJFD-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+]C1CCN(C[C@@H]2C[C@@H]2C)CC1 167065622 344297038 /nfs/dbraw/zinc/29/70/38/344297038.db2.gz YDNFHXPACYDJFD-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 167065622 344297041 /nfs/dbraw/zinc/29/70/41/344297041.db2.gz YDNFHXPACYDJFD-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+]C1CCN(C[C@@H]2C[C@H]2C)CC1 167065518 344297105 /nfs/dbraw/zinc/29/71/05/344297105.db2.gz YDNFHXPACYDJFD-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC1CC[NH+](C[C@@H]2C[C@H]2C)CC1 167065518 344297108 /nfs/dbraw/zinc/29/71/08/344297108.db2.gz YDNFHXPACYDJFD-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)CC1 167166967 344299051 /nfs/dbraw/zinc/29/90/51/344299051.db2.gz QPDQGGGORBYQKN-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2)CC1 167167072 344299364 /nfs/dbraw/zinc/29/93/64/344299364.db2.gz QPDQGGGORBYQKN-DCAQKATOSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH+]1CCCNCCC1 167257048 344301192 /nfs/dbraw/zinc/30/11/92/344301192.db2.gz DFDUVHMDQJUGET-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1C[C@@H]1C[NH+]1CCCNCCC1 167257159 344301368 /nfs/dbraw/zinc/30/13/68/344301368.db2.gz DFDUVHMDQJUGET-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1C[C@H]1C[NH+]1CCCNCCC1 167257376 344301501 /nfs/dbraw/zinc/30/15/01/344301501.db2.gz DFDUVHMDQJUGET-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[C@H]1C[NH+]1CCCNCCC1 167257268 344301557 /nfs/dbraw/zinc/30/15/57/344301557.db2.gz DFDUVHMDQJUGET-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO CCCC[N@@H+]1CCC[C@@H](N)CC1 167438176 344305317 /nfs/dbraw/zinc/30/53/17/344305317.db2.gz ASQMKKFSNZASBS-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[N@H+]1CCC[C@@H](N)CC1 167438176 344305318 /nfs/dbraw/zinc/30/53/18/344305318.db2.gz ASQMKKFSNZASBS-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[N@@H+]1CCC[C@H](N)CC1 167438286 344305492 /nfs/dbraw/zinc/30/54/92/344305492.db2.gz ASQMKKFSNZASBS-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[N@H+]1CCC[C@H](N)CC1 167438286 344305493 /nfs/dbraw/zinc/30/54/93/344305493.db2.gz ASQMKKFSNZASBS-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CCC2)C[C@@H]1CN 167601837 344309110 /nfs/dbraw/zinc/30/91/10/344309110.db2.gz HYRJZLAPUVKMNH-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[N@H+](C2CCC2)C[C@@H]1CN 167601837 344309112 /nfs/dbraw/zinc/30/91/12/344309112.db2.gz HYRJZLAPUVKMNH-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCN(C2CCC2)C[C@@H]1C[NH3+] 167601837 344309115 /nfs/dbraw/zinc/30/91/15/344309115.db2.gz HYRJZLAPUVKMNH-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 167607747 344309202 /nfs/dbraw/zinc/30/92/02/344309202.db2.gz VTIKRCCCZDGNDC-SRVKXCTJSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 167607747 344309205 /nfs/dbraw/zinc/30/92/05/344309205.db2.gz VTIKRCCCZDGNDC-SRVKXCTJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CCC2)C[C@@H]1CN 167601741 344309226 /nfs/dbraw/zinc/30/92/26/344309226.db2.gz HYRJZLAPUVKMNH-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1CN 167601741 344309227 /nfs/dbraw/zinc/30/92/27/344309227.db2.gz HYRJZLAPUVKMNH-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCN(C2CCC2)C[C@@H]1C[NH3+] 167601741 344309228 /nfs/dbraw/zinc/30/92/28/344309228.db2.gz HYRJZLAPUVKMNH-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 167607640 344309275 /nfs/dbraw/zinc/30/92/75/344309275.db2.gz VTIKRCCCZDGNDC-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 167607640 344309278 /nfs/dbraw/zinc/30/92/78/344309278.db2.gz VTIKRCCCZDGNDC-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO C/C=C/CN1CC[C@H](C)[C@H](C[NH3+])C1 167654987 344310723 /nfs/dbraw/zinc/31/07/23/344310723.db2.gz HWTCOSUCFVLRBG-MJKAUQOVSA-N 1 3 182.311 1.479 10 0 ADAEHO C1=C[C@@H]([N@@H+]2CCCNCC2)CCC1 167725653 344312870 /nfs/dbraw/zinc/31/28/70/344312870.db2.gz YBGWBYYQWXYPET-LLVKDONJSA-N 1 3 180.295 1.390 10 0 ADAEHO C1=C[C@@H]([N@H+]2CCCNCC2)CCC1 167725653 344312872 /nfs/dbraw/zinc/31/28/72/344312872.db2.gz YBGWBYYQWXYPET-LLVKDONJSA-N 1 3 180.295 1.390 10 0 ADAEHO C1=C[C@H]([N@@H+]2CCCNCC2)CCC1 167725533 344312912 /nfs/dbraw/zinc/31/29/12/344312912.db2.gz YBGWBYYQWXYPET-NSHDSACASA-N 1 3 180.295 1.390 10 0 ADAEHO C1=C[C@H]([N@H+]2CCCNCC2)CCC1 167725533 344312914 /nfs/dbraw/zinc/31/29/14/344312914.db2.gz YBGWBYYQWXYPET-NSHDSACASA-N 1 3 180.295 1.390 10 0 ADAEHO CN(C1CC[NH2+]CC1)[C@H]1C=CCCC1 167818508 344314845 /nfs/dbraw/zinc/31/48/45/344314845.db2.gz KONOVGDAPACFSJ-NSHDSACASA-N 1 3 194.322 1.779 10 0 ADAEHO C[N@H+](C1CCNCC1)[C@H]1C=CCCC1 167818508 344314847 /nfs/dbraw/zinc/31/48/47/344314847.db2.gz KONOVGDAPACFSJ-NSHDSACASA-N 1 3 194.322 1.779 10 0 ADAEHO C[N@@H+](C1CCNCC1)[C@H]1C=CCCC1 167818508 344314848 /nfs/dbraw/zinc/31/48/48/344314848.db2.gz KONOVGDAPACFSJ-NSHDSACASA-N 1 3 194.322 1.779 10 0 ADAEHO [NH3+]C1CCN([C@H]2C=CCCC2)CC1 167818286 344314892 /nfs/dbraw/zinc/31/48/92/344314892.db2.gz HYGJYCMZWTVGNP-NSHDSACASA-N 1 3 180.295 1.518 10 0 ADAEHO [NH3+]C1CCN([C@@H]2C=CCCC2)CC1 167818390 344314913 /nfs/dbraw/zinc/31/49/13/344314913.db2.gz HYGJYCMZWTVGNP-LLVKDONJSA-N 1 3 180.295 1.518 10 0 ADAEHO CN(C1CC[NH2+]CC1)[C@@H]1C=CCCC1 167818624 344314957 /nfs/dbraw/zinc/31/49/57/344314957.db2.gz KONOVGDAPACFSJ-LLVKDONJSA-N 1 3 194.322 1.779 10 0 ADAEHO C[N@H+](C1CCNCC1)[C@@H]1C=CCCC1 167818624 344314961 /nfs/dbraw/zinc/31/49/61/344314961.db2.gz KONOVGDAPACFSJ-LLVKDONJSA-N 1 3 194.322 1.779 10 0 ADAEHO C[N@@H+](C1CCNCC1)[C@@H]1C=CCCC1 167818624 344314962 /nfs/dbraw/zinc/31/49/62/344314962.db2.gz KONOVGDAPACFSJ-LLVKDONJSA-N 1 3 194.322 1.779 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@H]2C=CCCC2)C1 167836757 344315274 /nfs/dbraw/zinc/31/52/74/344315274.db2.gz KALXITBGRMWESM-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@H]2C=CCCC2)C1 167836757 344315276 /nfs/dbraw/zinc/31/52/76/344315276.db2.gz KALXITBGRMWESM-WOPDTQHZSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@@H+]([C@H]2C=CCCC2)C1 167836980 344315315 /nfs/dbraw/zinc/31/53/15/344315315.db2.gz KALXITBGRMWESM-UTUOFQBUSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@H+]([C@H]2C=CCCC2)C1 167836980 344315317 /nfs/dbraw/zinc/31/53/17/344315317.db2.gz KALXITBGRMWESM-UTUOFQBUSA-N 1 3 194.322 1.764 10 0 ADAEHO [NH3+]Cc1ccc(CN2CC=CC2)cc1 168161804 344322772 /nfs/dbraw/zinc/32/27/72/344322772.db2.gz SWTPCHQJSQWMHO-UHFFFAOYSA-N 1 3 188.274 1.517 10 0 ADAEHO C[NH2+]CC1(CN)CCCCC1 168227058 344325910 /nfs/dbraw/zinc/32/59/10/344325910.db2.gz MOYWUMOJXKRPTL-UHFFFAOYSA-N 1 3 156.273 1.115 10 0 ADAEHO C[C@@H]1CCN(C2(C)CC2)CCC[NH2+]1 168352778 344328957 /nfs/dbraw/zinc/32/89/57/344328957.db2.gz HBYKQYZLJJBPGW-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1C[N@@H+](C(C)(C)C)CC[C@H]1N 168341002 344329027 /nfs/dbraw/zinc/32/90/27/344329027.db2.gz IMKOHHJXKFYSBR-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1C[N@H+](C(C)(C)C)CC[C@H]1N 168341002 344329028 /nfs/dbraw/zinc/32/90/28/344329028.db2.gz IMKOHHJXKFYSBR-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CN(C(C)(C)C)CC[C@H]1[NH3+] 168341002 344329031 /nfs/dbraw/zinc/32/90/31/344329031.db2.gz IMKOHHJXKFYSBR-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CCN(C2(C)CC2)CCC[NH2+]1 168352878 344329110 /nfs/dbraw/zinc/32/91/10/344329110.db2.gz HBYKQYZLJJBPGW-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[NH2+]CC1(CN)CCCCCC1 168389741 344329841 /nfs/dbraw/zinc/32/98/41/344329841.db2.gz YMHAPISQAMDDKT-UHFFFAOYSA-N 1 3 170.300 1.505 10 0 ADAEHO CC(C)([NH3+])CNc1ccncc1 168406167 344330378 /nfs/dbraw/zinc/33/03/78/344330378.db2.gz IHWZAHGIQOVRRH-UHFFFAOYSA-N 1 3 165.240 1.231 10 0 ADAEHO CC(C)(N)C[NH+]1CC(C(C)(C)C)C1 168413486 344330408 /nfs/dbraw/zinc/33/04/08/344330408.db2.gz DRFUSDVFNXICJR-UHFFFAOYSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+]C1(C)CCN([C@@H](C)C2CC2)CC1 168438802 344330913 /nfs/dbraw/zinc/33/09/13/344330913.db2.gz UIIRUAJZAUDHCQ-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1(C)CCN(C(C)C)CC1 168422150 344330929 /nfs/dbraw/zinc/33/09/29/344330929.db2.gz LASBARJCWQNFIA-UHFFFAOYSA-N 1 3 170.300 1.469 10 0 ADAEHO CCCN1CCC(C)([NH2+]C)CC1 168421460 344330932 /nfs/dbraw/zinc/33/09/32/344330932.db2.gz QKIYJWCDVKDTDE-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO C[NH2+]C1(C)CCN([C@H](C)C2CC2)CC1 168438892 344330951 /nfs/dbraw/zinc/33/09/51/344330951.db2.gz UIIRUAJZAUDHCQ-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1=CC[N@@H+]([C@H]2CCC[C@@H]2CN)CC1 168505412 344331821 /nfs/dbraw/zinc/33/18/21/344331821.db2.gz ZRVCVXCUCZMNNW-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=CC[N@H+]([C@H]2CCC[C@@H]2CN)CC1 168505412 344331823 /nfs/dbraw/zinc/33/18/23/344331823.db2.gz ZRVCVXCUCZMNNW-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H]1CCN1[C@@](C)(C[NH3+])C1CC1 168597968 344333478 /nfs/dbraw/zinc/33/34/78/344333478.db2.gz XRHDRADADJRXCC-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCN1[C@@](C)(C[NH3+])C1CC1 168598062 344333575 /nfs/dbraw/zinc/33/35/75/344333575.db2.gz XRHDRADADJRXCC-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCCC[C@@]1(C[NH3+])N1CC=CC1 168661166 344334568 /nfs/dbraw/zinc/33/45/68/344334568.db2.gz JZVOZOSHZZRFSX-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1CCCC[C@@]1(C[NH3+])N1CC=CC1 168661248 344334630 /nfs/dbraw/zinc/33/46/30/344334630.db2.gz JZVOZOSHZZRFSX-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H]1CCCC[C@]1(C[NH3+])N1CC=CC1 168661348 344334712 /nfs/dbraw/zinc/33/47/12/344334712.db2.gz JZVOZOSHZZRFSX-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1CCCC[C@]1(C[NH3+])N1CC=CC1 168661439 344334743 /nfs/dbraw/zinc/33/47/43/344334743.db2.gz JZVOZOSHZZRFSX-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO CC(C)[C@](C)(C[NH3+])N1CC=CC1 168770155 344336413 /nfs/dbraw/zinc/33/64/13/344336413.db2.gz MSCILUZTKJNJJO-JTQLQIEISA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)[C@@](C)(C[NH3+])N1CC=CC1 168770061 344336551 /nfs/dbraw/zinc/33/65/51/344336551.db2.gz MSCILUZTKJNJJO-SNVBAGLBSA-N 1 3 168.284 1.232 10 0 ADAEHO CC1(C)CCCN(CC2(C[NH3+])CC2)C1 168788410 344337549 /nfs/dbraw/zinc/33/75/49/344337549.db2.gz ZCMJSSHYHBANNB-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO CC(C)=CCN1CC[C@@H]([NH3+])C[C@@H]1C 168982507 344341367 /nfs/dbraw/zinc/34/13/67/344341367.db2.gz PUJBRHNKGFNUCZ-WDEREUQCSA-N 1 3 182.311 1.764 10 0 ADAEHO CC(C)=CCN1CC[C@@H]([NH3+])C[C@H]1C 168982425 344341378 /nfs/dbraw/zinc/34/13/78/344341378.db2.gz PUJBRHNKGFNUCZ-GHMZBOCLSA-N 1 3 182.311 1.764 10 0 ADAEHO CC(C)=CCN1CC[C@H]([NH3+])C[C@H]1C 168982594 344341514 /nfs/dbraw/zinc/34/15/14/344341514.db2.gz PUJBRHNKGFNUCZ-MNOVXSKESA-N 1 3 182.311 1.764 10 0 ADAEHO C/C=C/CN1CC[C@@H]([NH3+])C[C@@H]1C 168972440 344341559 /nfs/dbraw/zinc/34/15/59/344341559.db2.gz CCRXKIRSQVVNEL-FCVPOFOPSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CCN1CC[C@H]([NH3+])C[C@@H]1C 168982694 344341729 /nfs/dbraw/zinc/34/17/29/344341729.db2.gz PUJBRHNKGFNUCZ-QWRGUYRKSA-N 1 3 182.311 1.764 10 0 ADAEHO [NH3+]CC1(CNc2ccncc2)CC1 169007334 344342102 /nfs/dbraw/zinc/34/21/02/344342102.db2.gz SSFCBOOQPJCLLG-UHFFFAOYSA-N 1 3 177.251 1.232 10 0 ADAEHO c1cc2c(cc1C[NH2+]C1CC1)CNC2 169149828 344346707 /nfs/dbraw/zinc/34/67/07/344346707.db2.gz WPQUUGGXAHIBTA-UHFFFAOYSA-N 1 3 188.274 1.542 10 0 ADAEHO CC[N@H+](C)Cc1ccc2c(c1)CNC2 169148713 344346934 /nfs/dbraw/zinc/34/69/34/344346934.db2.gz DJNMPNVYACDKDW-UHFFFAOYSA-N 1 3 190.290 1.742 10 0 ADAEHO CC[N@@H+](C)Cc1ccc2c(c1)CNC2 169148713 344346936 /nfs/dbraw/zinc/34/69/36/344346936.db2.gz DJNMPNVYACDKDW-UHFFFAOYSA-N 1 3 190.290 1.742 10 0 ADAEHO C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 169228937 344348828 /nfs/dbraw/zinc/34/88/28/344348828.db2.gz AXUAYPRNWPXCIP-NXEZZACHSA-N 1 3 162.236 1.351 10 0 ADAEHO C[NH2+][C@H]1C[C@@H](N)c2ccccc21 169229008 344348900 /nfs/dbraw/zinc/34/89/00/344348900.db2.gz AXUAYPRNWPXCIP-ZJUUUORDSA-N 1 3 162.236 1.351 10 0 ADAEHO C[NH2+][C@@H]1C[C@H](N)c2ccccc21 169228797 344349001 /nfs/dbraw/zinc/34/90/01/344349001.db2.gz AXUAYPRNWPXCIP-VHSXEESVSA-N 1 3 162.236 1.351 10 0 ADAEHO C[NH2+][C@H]1C[C@H](N)c2ccccc21 169228869 344349058 /nfs/dbraw/zinc/34/90/58/344349058.db2.gz AXUAYPRNWPXCIP-UWVGGRQHSA-N 1 3 162.236 1.351 10 0 ADAEHO C[NH+](C)[C@H]1C[C@@H](N)c2ccccc21 169251057 344349802 /nfs/dbraw/zinc/34/98/02/344349802.db2.gz RABPSTHGNXQMHS-MNOVXSKESA-N 1 3 176.263 1.693 10 0 ADAEHO C[NH+](C)[C@@H]1C[C@@H](N)c2ccccc21 169250986 344349876 /nfs/dbraw/zinc/34/98/76/344349876.db2.gz RABPSTHGNXQMHS-GHMZBOCLSA-N 1 3 176.263 1.693 10 0 ADAEHO C[NH+](C)[C@@H]1C[C@H](N)c2ccccc21 169250831 344349989 /nfs/dbraw/zinc/34/99/89/344349989.db2.gz RABPSTHGNXQMHS-WDEREUQCSA-N 1 3 176.263 1.693 10 0 ADAEHO C[NH+](C)[C@H]1C[C@H](N)c2ccccc21 169250904 344350126 /nfs/dbraw/zinc/35/01/26/344350126.db2.gz RABPSTHGNXQMHS-QWRGUYRKSA-N 1 3 176.263 1.693 10 0 ADAEHO C[Si](C)(N1CCCC1)[NH+]1CCCC1 196084014 344355492 /nfs/dbraw/zinc/35/54/92/344355492.db2.gz OFKNHDDXWSOGKH-UHFFFAOYSA-N 1 3 198.386 1.880 10 0 ADAEHO CCN1CCC[C@]2(CC[NH2+]C2)C1 211343498 344377306 /nfs/dbraw/zinc/37/73/06/344377306.db2.gz GDORNWZPLNDHTP-SNVBAGLBSA-N 1 3 168.284 1.082 10 0 ADAEHO CCCN1CCC[C@]2(CC[NH2+]C2)C1 211343336 344377338 /nfs/dbraw/zinc/37/73/38/344377338.db2.gz GEVWQEITOIQELW-LLVKDONJSA-N 1 3 182.311 1.472 10 0 ADAEHO CC(C)N1CCC[C@@]2(CC[NH2+]C2)C1 211356187 344377430 /nfs/dbraw/zinc/37/74/30/344377430.db2.gz AZURIPFEHSTNKK-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)N1CCC[C@]2(CC[NH2+]C2)C1 211356109 344377444 /nfs/dbraw/zinc/37/74/44/344377444.db2.gz AZURIPFEHSTNKK-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[C@@]2(CC[NH2+]C2)C1 211343564 344377599 /nfs/dbraw/zinc/37/75/99/344377599.db2.gz GDORNWZPLNDHTP-JTQLQIEISA-N 1 3 168.284 1.082 10 0 ADAEHO CCCN1CCC[C@@]2(CC[NH2+]C2)C1 211343401 344377681 /nfs/dbraw/zinc/37/76/81/344377681.db2.gz GEVWQEITOIQELW-NSHDSACASA-N 1 3 182.311 1.472 10 0 ADAEHO [NH3+]CC/C=C1\CCN(C2CC2)C1 214913044 344384092 /nfs/dbraw/zinc/38/40/92/344384092.db2.gz GIOJQVSCGZXMRP-XNWCZRBMSA-N 1 3 166.268 1.130 10 0 ADAEHO C[C@@H](N)C[C@H]1CCCCC[N@@H+]1C 215723945 344391378 /nfs/dbraw/zinc/39/13/78/344391378.db2.gz KFPIPINIUNMKST-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)C[C@H]1CCCCC[N@H+]1C 215723945 344391382 /nfs/dbraw/zinc/39/13/82/344391382.db2.gz KFPIPINIUNMKST-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)C[C@H]1CCCCC[N@@H+]1C 215723898 344391469 /nfs/dbraw/zinc/39/14/69/344391469.db2.gz KFPIPINIUNMKST-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)C[C@H]1CCCCC[N@H+]1C 215723898 344391472 /nfs/dbraw/zinc/39/14/72/344391472.db2.gz KFPIPINIUNMKST-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)C[C@@H]1CCCCC[N@@H+]1C 215723802 344391481 /nfs/dbraw/zinc/39/14/81/344391481.db2.gz KFPIPINIUNMKST-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)C[C@@H]1CCCCC[N@H+]1C 215723802 344391482 /nfs/dbraw/zinc/39/14/82/344391482.db2.gz KFPIPINIUNMKST-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCCCC[N@@H+]1C 215723849 344391501 /nfs/dbraw/zinc/39/15/01/344391501.db2.gz KFPIPINIUNMKST-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCCCC[N@H+]1C 215723849 344391503 /nfs/dbraw/zinc/39/15/03/344391503.db2.gz KFPIPINIUNMKST-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO NC[C@H]1CCCC[N@H+](CC2CC2)C1 215781131 344391913 /nfs/dbraw/zinc/39/19/13/344391913.db2.gz FYCZXSZJZHUJNQ-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](CC2CC2)C1 215781131 344391915 /nfs/dbraw/zinc/39/19/15/344391915.db2.gz FYCZXSZJZHUJNQ-LLVKDONJSA-N 1 3 182.311 1.457 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](CC2CC2)C1 215781085 344391974 /nfs/dbraw/zinc/39/19/74/344391974.db2.gz FYCZXSZJZHUJNQ-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](CC2CC2)C1 215781085 344391975 /nfs/dbraw/zinc/39/19/75/344391975.db2.gz FYCZXSZJZHUJNQ-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](C2CCC2)C1 215781764 344392039 /nfs/dbraw/zinc/39/20/39/344392039.db2.gz RYHAGTXNFCXDET-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@H]1CCCC[N@H+](CC2CCC2)C1 215781240 344392081 /nfs/dbraw/zinc/39/20/81/344392081.db2.gz PRDYWOOFTKYNIV-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](CC2CCC2)C1 215781240 344392083 /nfs/dbraw/zinc/39/20/83/344392083.db2.gz PRDYWOOFTKYNIV-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](C2CC2)C1 215781692 344392118 /nfs/dbraw/zinc/39/21/18/344392118.db2.gz WPRRZYYBQXEPEO-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@H]1CCCC[N@H+](C2CC2)C1 215781692 344392119 /nfs/dbraw/zinc/39/21/19/344392119.db2.gz WPRRZYYBQXEPEO-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@H]1CCCCN(C2CC2)C1 215781692 344392121 /nfs/dbraw/zinc/39/21/21/344392121.db2.gz WPRRZYYBQXEPEO-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](C2CC2)C1 215781647 344392185 /nfs/dbraw/zinc/39/21/85/344392185.db2.gz WPRRZYYBQXEPEO-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](C2CC2)C1 215781647 344392188 /nfs/dbraw/zinc/39/21/88/344392188.db2.gz WPRRZYYBQXEPEO-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CCCCN(C2CC2)C1 215781647 344392190 /nfs/dbraw/zinc/39/21/90/344392190.db2.gz WPRRZYYBQXEPEO-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@@H]1CCCC[N@H+](CC2CCC2)C1 215781192 344392293 /nfs/dbraw/zinc/39/22/93/344392293.db2.gz PRDYWOOFTKYNIV-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@@H]1CCCC[N@@H+](CC2CCC2)C1 215781192 344392296 /nfs/dbraw/zinc/39/22/96/344392296.db2.gz PRDYWOOFTKYNIV-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO NC[C@H]1CCCC[N@@H+](C2CCC2)C1 215781814 344392445 /nfs/dbraw/zinc/39/24/45/344392445.db2.gz RYHAGTXNFCXDET-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@H]1CCCC[N@H+](C2CCC2)C1 215781814 344392447 /nfs/dbraw/zinc/39/24/47/344392447.db2.gz RYHAGTXNFCXDET-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[N@H+](CC2CCC2)CC1 215787345 344392586 /nfs/dbraw/zinc/39/25/86/344392586.db2.gz GZNYSUOSKZITJH-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 215787345 344392587 /nfs/dbraw/zinc/39/25/87/344392587.db2.gz GZNYSUOSKZITJH-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@H]1CCC[N@H+](CC2CC2)CC1 215787193 344392649 /nfs/dbraw/zinc/39/26/49/344392649.db2.gz STJBEJHWKPQUMD-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO N[C@H]1CCC[N@@H+](CC2CC2)CC1 215787193 344392652 /nfs/dbraw/zinc/39/26/52/344392652.db2.gz STJBEJHWKPQUMD-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO N[C@H]1CCC[N@H+](CC2CCC2)CC1 215787298 344392712 /nfs/dbraw/zinc/39/27/12/344392712.db2.gz GZNYSUOSKZITJH-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@H]1CCC[N@@H+](CC2CCC2)CC1 215787298 344392714 /nfs/dbraw/zinc/39/27/14/344392714.db2.gz GZNYSUOSKZITJH-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[N@H+](CC2CC2)CC1 215787234 344392900 /nfs/dbraw/zinc/39/29/00/344392900.db2.gz STJBEJHWKPQUMD-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO N[C@@H]1CCC[N@@H+](CC2CC2)CC1 215787234 344392903 /nfs/dbraw/zinc/39/29/03/344392903.db2.gz STJBEJHWKPQUMD-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[NH2+][C@H]1CCCN(C(C)(C)C)CC1 215852551 344393653 /nfs/dbraw/zinc/39/36/53/344393653.db2.gz MWDULCDFIKJPTR-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H]1CCC[N@@H+](C(C)(C)C)CC1 215852600 344393565 /nfs/dbraw/zinc/39/35/65/344393565.db2.gz MWDULCDFIKJPTR-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@@H]1CCC[N@H+](C(C)(C)C)CC1 215852600 344393567 /nfs/dbraw/zinc/39/35/67/344393567.db2.gz MWDULCDFIKJPTR-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCCN(C(C)(C)C)CC1 215852600 344393571 /nfs/dbraw/zinc/39/35/71/344393571.db2.gz MWDULCDFIKJPTR-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H]1CCC[N@@H+](C(C)(C)C)CC1 215852551 344393647 /nfs/dbraw/zinc/39/36/47/344393647.db2.gz MWDULCDFIKJPTR-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H]1CCC[N@H+](C(C)(C)C)CC1 215852551 344393650 /nfs/dbraw/zinc/39/36/50/344393650.db2.gz MWDULCDFIKJPTR-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](CN)C1 216236159 344396051 /nfs/dbraw/zinc/39/60/51/344396051.db2.gz HSEBFRIZPKYULR-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](CN)C1 216236159 344396052 /nfs/dbraw/zinc/39/60/52/344396052.db2.gz HSEBFRIZPKYULR-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCC[N@H+]1C[C@H](C)CN 216239569 344396228 /nfs/dbraw/zinc/39/62/28/344396228.db2.gz NJNVZNZRLCYXEP-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCC[N@@H+]1C[C@H](C)CN 216239569 344396230 /nfs/dbraw/zinc/39/62/30/344396230.db2.gz NJNVZNZRLCYXEP-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@H](C)CCN 216240383 344396272 /nfs/dbraw/zinc/39/62/72/344396272.db2.gz GJYYZAWPWGJETN-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@H](C)CCN 216240383 344396274 /nfs/dbraw/zinc/39/62/74/344396274.db2.gz GJYYZAWPWGJETN-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 216236071 344396388 /nfs/dbraw/zinc/39/63/88/344396388.db2.gz HSEBFRIZPKYULR-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](CN)C1 216236071 344396390 /nfs/dbraw/zinc/39/63/90/344396390.db2.gz HSEBFRIZPKYULR-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CCC2)C[C@@H]1C 216369203 344397014 /nfs/dbraw/zinc/39/70/14/344397014.db2.gz GWZIFFNRFXBTSB-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CN[C@@H](C)CC[N@@H+](C2CCC2)C1 216372001 344397064 /nfs/dbraw/zinc/39/70/64/344397064.db2.gz SXXRLEBBPJYVDB-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CN[C@@H](C)CC[N@H+](C2CCC2)C1 216372001 344397065 /nfs/dbraw/zinc/39/70/65/344397065.db2.gz SXXRLEBBPJYVDB-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[NH2+][C@@H](C)CCN(C2CCC2)C1 216372001 344397068 /nfs/dbraw/zinc/39/70/68/344397068.db2.gz SXXRLEBBPJYVDB-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CN[C@H](C)CC[N@@H+](C2CCC2)C1 216372052 344397124 /nfs/dbraw/zinc/39/71/24/344397124.db2.gz SXXRLEBBPJYVDB-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[NH2+][C@H](C)CCN(C2CCC2)C1 216372052 344397128 /nfs/dbraw/zinc/39/71/28/344397128.db2.gz SXXRLEBBPJYVDB-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[NH2+][C@H](C)CCN([C@H]2C[C@H]2C)C1 216466321 344397535 /nfs/dbraw/zinc/39/75/35/344397535.db2.gz QRLCTBNPWXKJMJ-KKOKHZNYSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@@H+]([C@H]2C[C@H]2C)C1 216466321 344397537 /nfs/dbraw/zinc/39/75/37/344397537.db2.gz QRLCTBNPWXKJMJ-KKOKHZNYSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN([C@@H]2C[C@H]2C)C1 216466544 344397555 /nfs/dbraw/zinc/39/75/55/344397555.db2.gz BZCRZBQEZOMLSP-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+]([C@@H]2C[C@H]2C)C1 216466544 344397557 /nfs/dbraw/zinc/39/75/57/344397557.db2.gz BZCRZBQEZOMLSP-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCCC[N@H+]([C@@H]2C[C@H]2C)C1 216466544 344397559 /nfs/dbraw/zinc/39/75/59/344397559.db2.gz BZCRZBQEZOMLSP-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@@H]1N1CC[C@@H](C)[NH2+]C[C@@H](C)C1 216466364 344397613 /nfs/dbraw/zinc/39/76/13/344397613.db2.gz QRLCTBNPWXKJMJ-KXNHARMFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1C[C@@H]1[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 216466364 344397615 /nfs/dbraw/zinc/39/76/15/344397615.db2.gz QRLCTBNPWXKJMJ-KXNHARMFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1C[C@@H]1N1CCC[NH2+]C[C@@H](C)C1 216466496 344397629 /nfs/dbraw/zinc/39/76/29/344397629.db2.gz BZCRZBQEZOMLSP-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@@H]1[N@@H+]1CCCNC[C@@H](C)C1 216466496 344397631 /nfs/dbraw/zinc/39/76/31/344397631.db2.gz BZCRZBQEZOMLSP-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@@H]1[N@H+]1CCCNC[C@@H](C)C1 216466496 344397633 /nfs/dbraw/zinc/39/76/33/344397633.db2.gz BZCRZBQEZOMLSP-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@@H+]([C@@H]2C[C@H]2C)C1 216466410 344397669 /nfs/dbraw/zinc/39/76/69/344397669.db2.gz QRLCTBNPWXKJMJ-DDHJBXDOSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@H+]([C@@H]2C[C@H]2C)C1 216466410 344397672 /nfs/dbraw/zinc/39/76/72/344397672.db2.gz QRLCTBNPWXKJMJ-DDHJBXDOSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CCN([C@@H]2C[C@H]2C)CC[C@@H](C)[NH2+]1 216466273 344397719 /nfs/dbraw/zinc/39/77/19/344397719.db2.gz JYSMUQAKKVULIO-WISYIIOYSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@H]1C[C@H]1N1CCC[NH2+]C[C@@H](C)C1 216466588 344397728 /nfs/dbraw/zinc/39/77/28/344397728.db2.gz BZCRZBQEZOMLSP-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H]1[N@@H+]1CCCNC[C@@H](C)C1 216466588 344397730 /nfs/dbraw/zinc/39/77/30/344397730.db2.gz BZCRZBQEZOMLSP-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H]1[N@H+]1CCCNC[C@@H](C)C1 216466588 344397732 /nfs/dbraw/zinc/39/77/32/344397732.db2.gz BZCRZBQEZOMLSP-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN([C@H]2C[C@H]2C)C1 216466464 344397767 /nfs/dbraw/zinc/39/77/67/344397767.db2.gz BZCRZBQEZOMLSP-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+]([C@H]2C[C@H]2C)C1 216466464 344397769 /nfs/dbraw/zinc/39/77/69/344397769.db2.gz BZCRZBQEZOMLSP-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCCC[N@H+]([C@H]2C[C@H]2C)C1 216466464 344397770 /nfs/dbraw/zinc/39/77/70/344397770.db2.gz BZCRZBQEZOMLSP-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1[C@H]1C[C@H]1C 216451229 344397788 /nfs/dbraw/zinc/39/77/88/344397788.db2.gz WMDJAYJCFXKSQL-RGOKHQFPSA-N 1 3 168.284 1.206 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CCC[C@@H]1C 216617721 344398701 /nfs/dbraw/zinc/39/87/01/344398701.db2.gz XRTAFEYOOSHLEG-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CCC[C@@H]1C 216617721 344398704 /nfs/dbraw/zinc/39/87/04/344398704.db2.gz XRTAFEYOOSHLEG-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]1C 216616246 344398716 /nfs/dbraw/zinc/39/87/16/344398716.db2.gz VFDQXQRDMSSMGI-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C)C1 216633773 344398732 /nfs/dbraw/zinc/39/87/32/344398732.db2.gz GBHCVSFXDJEGFA-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](C)C1 216633773 344398735 /nfs/dbraw/zinc/39/87/35/344398735.db2.gz GBHCVSFXDJEGFA-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](C)C1 216633687 344398780 /nfs/dbraw/zinc/39/87/80/344398780.db2.gz GBHCVSFXDJEGFA-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](C)C1 216633687 344398781 /nfs/dbraw/zinc/39/87/81/344398781.db2.gz GBHCVSFXDJEGFA-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1C 216616329 344398791 /nfs/dbraw/zinc/39/87/91/344398791.db2.gz VFDQXQRDMSSMGI-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CCC[C@@H](C)CC1 216817010 344399509 /nfs/dbraw/zinc/39/95/09/344399509.db2.gz GEYSFXSBHWMPPY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@H+]1CCC[C@@H](C)CC1 216817010 344399513 /nfs/dbraw/zinc/39/95/13/344399513.db2.gz GEYSFXSBHWMPPY-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](CN)C1 217507575 344402340 /nfs/dbraw/zinc/40/23/40/344402340.db2.gz UFCNPZPYECNAHA-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](CN)C1 217507575 344402341 /nfs/dbraw/zinc/40/23/41/344402341.db2.gz UFCNPZPYECNAHA-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](CN)C1 217503914 344402372 /nfs/dbraw/zinc/40/23/72/344402372.db2.gz HHUUALDTEQECHJ-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](CN)C1 217503914 344402374 /nfs/dbraw/zinc/40/23/74/344402374.db2.gz HHUUALDTEQECHJ-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1CCC[C@@H](CN)C1 217507648 344402432 /nfs/dbraw/zinc/40/24/32/344402432.db2.gz UFCNPZPYECNAHA-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1CCC[C@@H](CN)C1 217507648 344402436 /nfs/dbraw/zinc/40/24/36/344402436.db2.gz UFCNPZPYECNAHA-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@H](CN)C1 217503982 344402531 /nfs/dbraw/zinc/40/25/31/344402531.db2.gz HHUUALDTEQECHJ-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@H](CN)C1 217503982 344402533 /nfs/dbraw/zinc/40/25/33/344402533.db2.gz HHUUALDTEQECHJ-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(C/C=C\C[NH3+])Cc1ccccc1 217595382 344403953 /nfs/dbraw/zinc/40/39/53/344403953.db2.gz LMRBGJWBHKIKBQ-WAYWQWQTSA-N 1 3 190.290 1.633 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H](C)C1 217697838 344404975 /nfs/dbraw/zinc/40/49/75/344404975.db2.gz LKFUIHFZDCALRY-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N1CC[C@@H](C)C1 217707437 344405154 /nfs/dbraw/zinc/40/51/54/344405154.db2.gz OCPUPUAXKCFMJC-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H](C)C1 217697838 344404977 /nfs/dbraw/zinc/40/49/77/344404977.db2.gz LKFUIHFZDCALRY-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CCC[C@@H](C)C1 217697838 344404978 /nfs/dbraw/zinc/40/49/78/344404978.db2.gz LKFUIHFZDCALRY-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@@H](C)C1 217707518 344404995 /nfs/dbraw/zinc/40/49/95/344404995.db2.gz OCPUPUAXKCFMJC-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H]1C 217695226 344405020 /nfs/dbraw/zinc/40/50/20/344405020.db2.gz AEXDHIJZAKJVHU-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 217695226 344405021 /nfs/dbraw/zinc/40/50/21/344405021.db2.gz AEXDHIJZAKJVHU-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 217695832 344405032 /nfs/dbraw/zinc/40/50/32/344405032.db2.gz CRPNVBNTTLNVKZ-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@H]1CC[N@H+]2CCCC[C@@H]12 217695832 344405033 /nfs/dbraw/zinc/40/50/33/344405033.db2.gz CRPNVBNTTLNVKZ-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H](C)C1 217697995 344405120 /nfs/dbraw/zinc/40/51/20/344405120.db2.gz LKFUIHFZDCALRY-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H](C)C1 217697995 344405122 /nfs/dbraw/zinc/40/51/22/344405122.db2.gz LKFUIHFZDCALRY-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CCC[C@@H](C)C1 217697995 344405123 /nfs/dbraw/zinc/40/51/23/344405123.db2.gz LKFUIHFZDCALRY-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 217695749 344405141 /nfs/dbraw/zinc/40/51/41/344405141.db2.gz CRPNVBNTTLNVKZ-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 217695749 344405143 /nfs/dbraw/zinc/40/51/43/344405143.db2.gz CRPNVBNTTLNVKZ-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CC[C@@H](C)C1 217718877 344405173 /nfs/dbraw/zinc/40/51/73/344405173.db2.gz OETNBEQQAVFWJE-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CC[C@@H](C)C1 217718877 344405175 /nfs/dbraw/zinc/40/51/75/344405175.db2.gz OETNBEQQAVFWJE-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]1C 217695066 344405185 /nfs/dbraw/zinc/40/51/85/344405185.db2.gz AEXDHIJZAKJVHU-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H]1C 217695066 344405187 /nfs/dbraw/zinc/40/51/87/344405187.db2.gz AEXDHIJZAKJVHU-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN([C@H](C)[C@@H](C)[NH3+])C1 217707369 344405196 /nfs/dbraw/zinc/40/51/96/344405196.db2.gz OCPUPUAXKCFMJC-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CCCC1(C)C 217758109 344405582 /nfs/dbraw/zinc/40/55/82/344405582.db2.gz YZDIPCIRGNYTGO-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CCCC1(C)C 217758109 344405585 /nfs/dbraw/zinc/40/55/85/344405585.db2.gz YZDIPCIRGNYTGO-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CCCC1(C)C 217758029 344405628 /nfs/dbraw/zinc/40/56/28/344405628.db2.gz YZDIPCIRGNYTGO-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CCCC1(C)C 217758029 344405629 /nfs/dbraw/zinc/40/56/29/344405629.db2.gz YZDIPCIRGNYTGO-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CCC(C)(C)C1 217792764 344406193 /nfs/dbraw/zinc/40/61/93/344406193.db2.gz ACLRRZKOZNPOFU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CCC(C)(C)C1 217792764 344406195 /nfs/dbraw/zinc/40/61/95/344406195.db2.gz ACLRRZKOZNPOFU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CCC(C)(C)C1 217792764 344406197 /nfs/dbraw/zinc/40/61/97/344406197.db2.gz ACLRRZKOZNPOFU-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CCC(C)(C)C1 217792680 344406215 /nfs/dbraw/zinc/40/62/15/344406215.db2.gz ACLRRZKOZNPOFU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CCC(C)(C)C1 217792680 344406218 /nfs/dbraw/zinc/40/62/18/344406218.db2.gz ACLRRZKOZNPOFU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CCC(C)(C)C1 217792680 344406219 /nfs/dbraw/zinc/40/62/19/344406219.db2.gz ACLRRZKOZNPOFU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)N1CC[C@@](C)([NH3+])C1 218634686 344414280 /nfs/dbraw/zinc/41/42/80/344414280.db2.gz LXNZAXFFVAKAKT-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)CN1CC[C@@](C)([NH3+])C1 218634401 344414296 /nfs/dbraw/zinc/41/42/96/344414296.db2.gz RVAZLXZMDSEORH-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+]1CC[C@@H](C)C1 218635136 344414371 /nfs/dbraw/zinc/41/43/71/344414371.db2.gz VVQUSLYYFWSLKR-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+]1CC[C@@H](C)C1 218635136 344414372 /nfs/dbraw/zinc/41/43/72/344414372.db2.gz VVQUSLYYFWSLKR-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)CN1CC[C@](C)([NH3+])C1 218634494 344414400 /nfs/dbraw/zinc/41/44/00/344414400.db2.gz RVAZLXZMDSEORH-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+]1CC[C@@H](C)C1 218635209 344414427 /nfs/dbraw/zinc/41/44/27/344414427.db2.gz VVQUSLYYFWSLKR-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+]1CC[C@@H](C)C1 218635209 344414428 /nfs/dbraw/zinc/41/44/28/344414428.db2.gz VVQUSLYYFWSLKR-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C)N1CC[C@@](C)([NH3+])C1 218634609 344414484 /nfs/dbraw/zinc/41/44/84/344414484.db2.gz LXNZAXFFVAKAKT-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@]1([NH3+])CCN(C2CCCC2)C1 218761113 344415814 /nfs/dbraw/zinc/41/58/14/344415814.db2.gz DHKPYMVIKFZHJC-JTQLQIEISA-N 1 3 168.284 1.352 10 0 ADAEHO CC1(C)C[C@@H]1[N@@H+]1CC[C@@H](CN)C1 218766373 344416210 /nfs/dbraw/zinc/41/62/10/344416210.db2.gz STSQPEYBLHDWGX-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@@H]1[N@H+]1CC[C@@H](CN)C1 218766373 344416211 /nfs/dbraw/zinc/41/62/11/344416211.db2.gz STSQPEYBLHDWGX-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@@H]1N1CC[C@@H](C[NH3+])C1 218766373 344416213 /nfs/dbraw/zinc/41/62/13/344416213.db2.gz STSQPEYBLHDWGX-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1[N@@H+]1CC[C@@H](CN)C1 218766405 344416228 /nfs/dbraw/zinc/41/62/28/344416228.db2.gz STSQPEYBLHDWGX-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1[N@H+]1CC[C@@H](CN)C1 218766405 344416229 /nfs/dbraw/zinc/41/62/29/344416229.db2.gz STSQPEYBLHDWGX-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1N1CC[C@@H](C[NH3+])C1 218766405 344416231 /nfs/dbraw/zinc/41/62/31/344416231.db2.gz STSQPEYBLHDWGX-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@]1([NH3+])CCN(C2CCCCC2)C1 219038598 344419048 /nfs/dbraw/zinc/41/90/48/344419048.db2.gz OBFYIZDXTOEYBK-NSHDSACASA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@@]1([NH3+])CCN(C2CCCCC2)C1 219038677 344419289 /nfs/dbraw/zinc/41/92/89/344419289.db2.gz OBFYIZDXTOEYBK-LLVKDONJSA-N 1 3 182.311 1.742 10 0 ADAEHO [NH2+]=C1CCCN1[C@H]1CCN2CCC[C@@H]12 219295189 344421956 /nfs/dbraw/zinc/42/19/56/344421956.db2.gz MATHITWFQWRALA-UWVGGRQHSA-N 1 3 193.294 1.296 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@H](C)CN)C[C@@H]1C 219606416 344425503 /nfs/dbraw/zinc/42/55/03/344425503.db2.gz MZAQFGKAEOWCPH-BBBLOLIVSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@H](C)CN)C[C@@H]1C 219606416 344425505 /nfs/dbraw/zinc/42/55/05/344425505.db2.gz MZAQFGKAEOWCPH-BBBLOLIVSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@H](CN)C[NH+]1C[C@H](C)[C@@H](C)C1 219606508 344425590 /nfs/dbraw/zinc/42/55/90/344425590.db2.gz MZAQFGKAEOWCPH-UTLUCORTSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@@H]1C[NH2+]CCN([C@H](C)C2CC2)C1 219601057 344425609 /nfs/dbraw/zinc/42/56/09/344425609.db2.gz KYMJCGLCVCZEHH-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H]1CC[N@H+]([C@H](C)CC)CCN1 219598590 344425746 /nfs/dbraw/zinc/42/57/46/344425746.db2.gz NRYITMZMGGGUGQ-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CC[N@@H+]([C@H](C)CC)CCN1 219598590 344425748 /nfs/dbraw/zinc/42/57/48/344425748.db2.gz NRYITMZMGGGUGQ-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCN([C@H](C)CC)CC[NH2+]1 219598590 344425750 /nfs/dbraw/zinc/42/57/50/344425750.db2.gz NRYITMZMGGGUGQ-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 219640943 344426144 /nfs/dbraw/zinc/42/61/44/344426144.db2.gz OVGAIJJAYVSGPV-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCN[C@@H](C)CC1 219633799 344426005 /nfs/dbraw/zinc/42/60/05/344426005.db2.gz AZSCMHNRMMYEIE-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCN[C@@H](C)CC1 219633799 344426007 /nfs/dbraw/zinc/42/60/07/344426007.db2.gz AZSCMHNRMMYEIE-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCN(C2CC2)C[C@@H](C)C[NH2+]1 219641316 344426033 /nfs/dbraw/zinc/42/60/33/344426033.db2.gz XQDBAXIHDDFULA-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CCN(CC)CC[C@@H](C)[NH2+]1 219640619 344426054 /nfs/dbraw/zinc/42/60/54/344426054.db2.gz RJNOJMHTBDQAAV-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1C[NH2+][C@@H](C)CCN(C2CC2)C1 219641393 344426075 /nfs/dbraw/zinc/42/60/75/344426075.db2.gz HGVUNRKFPPEZPZ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN1CC[C@@H](C)[NH2+]C[C@@H](C)C1 219640943 344426138 /nfs/dbraw/zinc/42/61/38/344426138.db2.gz OVGAIJJAYVSGPV-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 219640943 344426141 /nfs/dbraw/zinc/42/61/41/344426141.db2.gz OVGAIJJAYVSGPV-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CCN(C2CC2)C[C@@H](C)C[NH2+]1 219641245 344426171 /nfs/dbraw/zinc/42/61/71/344426171.db2.gz XQDBAXIHDDFULA-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCNC[C@@H](C)C1 219634480 344426225 /nfs/dbraw/zinc/42/62/25/344426225.db2.gz VXAGDKXSIARYSP-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCNC[C@@H](C)C1 219634480 344426228 /nfs/dbraw/zinc/42/62/28/344426228.db2.gz VXAGDKXSIARYSP-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1CC[C@H](C)[NH2+]C[C@@H](C)C1 219641005 344426294 /nfs/dbraw/zinc/42/62/94/344426294.db2.gz OVGAIJJAYVSGPV-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+]1CC[C@H](C)NC[C@@H](C)C1 219641005 344426296 /nfs/dbraw/zinc/42/62/96/344426296.db2.gz OVGAIJJAYVSGPV-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CCN(C)C[C@@H](C)C[NH2+]1 219613020 344426305 /nfs/dbraw/zinc/42/63/05/344426305.db2.gz NHBDWXMCXNLWOX-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CCCNC[C@@H](C)C1 219608436 344426345 /nfs/dbraw/zinc/42/63/45/344426345.db2.gz LGZGKWJJOAWIFL-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CCCNC[C@@H](C)C1 219608436 344426346 /nfs/dbraw/zinc/42/63/46/344426346.db2.gz LGZGKWJJOAWIFL-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCN[C@@H](C)CC1 219633729 344426359 /nfs/dbraw/zinc/42/63/59/344426359.db2.gz AZSCMHNRMMYEIE-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCN[C@@H](C)CC1 219633729 344426360 /nfs/dbraw/zinc/42/63/60/344426360.db2.gz AZSCMHNRMMYEIE-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+]1CC[C@H](C)NC[C@@H](C)C1 219643046 344426371 /nfs/dbraw/zinc/42/63/71/344426371.db2.gz BSMDHDBHJYCCFS-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1CC[C@H](C)NC[C@@H](C)C1 219643046 344426372 /nfs/dbraw/zinc/42/63/72/344426372.db2.gz BSMDHDBHJYCCFS-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCN(CC)C[C@@H](C)C[NH2+]1 219640857 344426382 /nfs/dbraw/zinc/42/63/82/344426382.db2.gz DBLOOTDCWCQFED-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCN(C)C[C@@H](C)C[NH2+]1 219613090 344426404 /nfs/dbraw/zinc/42/64/04/344426404.db2.gz NHBDWXMCXNLWOX-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H]1CCN(CC)CC[C@@H](C)[NH2+]1 219640692 344426419 /nfs/dbraw/zinc/42/64/19/344426419.db2.gz RJNOJMHTBDQAAV-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCNC[C@@H](C)C1 219634417 344426425 /nfs/dbraw/zinc/42/64/25/344426425.db2.gz VXAGDKXSIARYSP-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCNC[C@@H](C)C1 219634417 344426426 /nfs/dbraw/zinc/42/64/26/344426426.db2.gz VXAGDKXSIARYSP-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCN(C)CC[C@@H](C)[NH2+]1 219612956 344426458 /nfs/dbraw/zinc/42/64/58/344426458.db2.gz OZLRYLUVIFHZSH-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H]1C[NH2+][C@H](C)CCN(C2CC2)C1 219641468 344426477 /nfs/dbraw/zinc/42/64/77/344426477.db2.gz HGVUNRKFPPEZPZ-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CCN(C)CC[C@@H](C)[NH2+]1 219612896 344426492 /nfs/dbraw/zinc/42/64/92/344426492.db2.gz OZLRYLUVIFHZSH-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+]([C@H](C)C2CC2)C1 219663824 344426703 /nfs/dbraw/zinc/42/67/03/344426703.db2.gz ZUAWXJSJEXMIKR-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@H+]([C@H](C)C2CC2)C1 219663824 344426706 /nfs/dbraw/zinc/42/67/06/344426706.db2.gz ZUAWXJSJEXMIKR-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)C[NH+]1C[C@H](C)[C@@H](C)C1 219662320 344427054 /nfs/dbraw/zinc/42/70/54/344427054.db2.gz JFHWBZPCTQODTI-GUBZILKMSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H](C)C2CC2)CCCN1 219663189 344427068 /nfs/dbraw/zinc/42/70/68/344427068.db2.gz ZFNDOWYWIFKARX-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H](C)C2CC2)CCCN1 219663189 344427070 /nfs/dbraw/zinc/42/70/70/344427070.db2.gz ZFNDOWYWIFKARX-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 219662239 344427086 /nfs/dbraw/zinc/42/70/86/344427086.db2.gz JFHWBZPCTQODTI-AEJSXWLSSA-N 1 3 170.300 1.182 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 219662239 344427088 /nfs/dbraw/zinc/42/70/88/344427088.db2.gz JFHWBZPCTQODTI-AEJSXWLSSA-N 1 3 170.300 1.182 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CC2)C[C@@H]1C 219744919 344427383 /nfs/dbraw/zinc/42/73/83/344427383.db2.gz ZNFKBWMUNPRYOY-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CCCC2)C[C@@H]1C 219777327 344427455 /nfs/dbraw/zinc/42/74/55/344427455.db2.gz GSDTVSSCUCXNJO-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCCC2)C[C@@H]1C 219777327 344427457 /nfs/dbraw/zinc/42/74/57/344427457.db2.gz GSDTVSSCUCXNJO-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCCC2)C[C@@H]1C 219777327 344427459 /nfs/dbraw/zinc/42/74/59/344427459.db2.gz GSDTVSSCUCXNJO-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)(C)C)C[C@@H]1C 219745345 344427523 /nfs/dbraw/zinc/42/75/23/344427523.db2.gz BTEMHVQTZPXBGD-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C 219745345 344427524 /nfs/dbraw/zinc/42/75/24/344427524.db2.gz BTEMHVQTZPXBGD-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C 219745345 344427527 /nfs/dbraw/zinc/42/75/27/344427527.db2.gz BTEMHVQTZPXBGD-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH2+]C)C[C@@H]1C 219769926 344427598 /nfs/dbraw/zinc/42/75/98/344427598.db2.gz YBESTTGSXUUQMK-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](NC)C[C@@H]1C 219769926 344427600 /nfs/dbraw/zinc/42/76/00/344427600.db2.gz YBESTTGSXUUQMK-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](NC)C[C@@H]1C 219769926 344427603 /nfs/dbraw/zinc/42/76/03/344427603.db2.gz YBESTTGSXUUQMK-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH2+]C)[C@@H](C)C1 219769488 344427621 /nfs/dbraw/zinc/42/76/21/344427621.db2.gz OMQUEIYVGGIWGW-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 219769784 344427681 /nfs/dbraw/zinc/42/76/81/344427681.db2.gz WMKBLWWHJHZQBU-LPEHRKFASA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](N)C[C@@H]1C 219769784 344427683 /nfs/dbraw/zinc/42/76/83/344427683.db2.gz WMKBLWWHJHZQBU-LPEHRKFASA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])C[C@@H]1C 219769784 344427684 /nfs/dbraw/zinc/42/76/84/344427684.db2.gz WMKBLWWHJHZQBU-LPEHRKFASA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219769323 344427739 /nfs/dbraw/zinc/42/77/39/344427739.db2.gz WBWGGMINPRUJCC-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219769323 344427741 /nfs/dbraw/zinc/42/77/41/344427741.db2.gz WBWGGMINPRUJCC-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 219769323 344427742 /nfs/dbraw/zinc/42/77/42/344427742.db2.gz WBWGGMINPRUJCC-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@@H](N)C[C@@H]1C 219762789 344427751 /nfs/dbraw/zinc/42/77/51/344427751.db2.gz WREQHRONXPLSGV-GARJFASQSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@@H](N)C[C@@H]1C 219762789 344427753 /nfs/dbraw/zinc/42/77/53/344427753.db2.gz WREQHRONXPLSGV-GARJFASQSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)N1CC[C@@H]([NH3+])C[C@@H]1C 219762789 344427755 /nfs/dbraw/zinc/42/77/55/344427755.db2.gz WREQHRONXPLSGV-GARJFASQSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[NH2+][C@H]1CCN(C(C)C)[C@@H](C)C1 219746652 344427796 /nfs/dbraw/zinc/42/77/96/344427796.db2.gz PITJZPYBBRRRRU-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[NH2+][C@@H]1CCN(C(C)C)[C@@H](C)C1 219746574 344427847 /nfs/dbraw/zinc/42/78/47/344427847.db2.gz PITJZPYBBRRRRU-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)C[C@@H]1C 219746478 344427912 /nfs/dbraw/zinc/42/79/12/344427912.db2.gz OJSLQPHTVXWJSQ-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C[C@@H]1C 219794950 344428235 /nfs/dbraw/zinc/42/82/35/344428235.db2.gz TWBJISYWKAXJSW-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C(C)C)C[C@@H]1C 219794950 344428236 /nfs/dbraw/zinc/42/82/36/344428236.db2.gz TWBJISYWKAXJSW-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN([C@@H](C)C(C)C)C[C@@H]1C 219794950 344428238 /nfs/dbraw/zinc/42/82/38/344428238.db2.gz TWBJISYWKAXJSW-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CCC2)C[C@@H]1C 219797954 344428345 /nfs/dbraw/zinc/42/83/45/344428345.db2.gz UOPYDJYSQJFTQP-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1C 219797954 344428346 /nfs/dbraw/zinc/42/83/46/344428346.db2.gz UOPYDJYSQJFTQP-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C 219797954 344428348 /nfs/dbraw/zinc/42/83/48/344428348.db2.gz UOPYDJYSQJFTQP-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219778987 344428353 /nfs/dbraw/zinc/42/83/53/344428353.db2.gz XJWVCTBPKQYKTK-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219778987 344428355 /nfs/dbraw/zinc/42/83/55/344428355.db2.gz XJWVCTBPKQYKTK-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CNC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 219788288 344428395 /nfs/dbraw/zinc/42/83/95/344428395.db2.gz XOHMQIDNISMPMM-KXUCPTDWSA-N 1 3 170.300 1.182 10 0 ADAEHO CNC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219788288 344428397 /nfs/dbraw/zinc/42/83/97/344428397.db2.gz XOHMQIDNISMPMM-KXUCPTDWSA-N 1 3 170.300 1.182 10 0 ADAEHO CCC(CC)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219777711 344428429 /nfs/dbraw/zinc/42/84/29/344428429.db2.gz KNJZUOBAIQETLJ-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219777711 344428430 /nfs/dbraw/zinc/42/84/30/344428430.db2.gz KNJZUOBAIQETLJ-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@@H+]1CC[C@H](N)[C@@H](C)C1 219777781 344428450 /nfs/dbraw/zinc/42/84/50/344428450.db2.gz KNJZUOBAIQETLJ-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC(CC)[N@H+]1CC[C@H](N)[C@@H](C)C1 219777781 344428452 /nfs/dbraw/zinc/42/84/52/344428452.db2.gz KNJZUOBAIQETLJ-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 219794883 344428455 /nfs/dbraw/zinc/42/84/55/344428455.db2.gz XMKPZYDZYKGJHW-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 219794883 344428456 /nfs/dbraw/zinc/42/84/56/344428456.db2.gz XMKPZYDZYKGJHW-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H]1CCCCN1C[C@@]1(C)CC[NH2+]C1 219851829 344428713 /nfs/dbraw/zinc/42/87/13/344428713.db2.gz UVCBSEFEHZOPLQ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCCCN1C[C@@]1(C)CC[NH2+]C1 219851772 344429008 /nfs/dbraw/zinc/42/90/08/344429008.db2.gz UVCBSEFEHZOPLQ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H]([NH3+])[C@@H]1CN(C)C 219942029 344429516 /nfs/dbraw/zinc/42/95/16/344429516.db2.gz JOEPMOLZCUTZJX-YTWAJWBKSA-N 1 3 184.327 1.558 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)NC2)C1 219957130 344430008 /nfs/dbraw/zinc/43/00/08/344430008.db2.gz YLLAKCSMWLWGRQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)NC2)C1 219957130 344430010 /nfs/dbraw/zinc/43/00/10/344430010.db2.gz YLLAKCSMWLWGRQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C)CN1 219956668 344430039 /nfs/dbraw/zinc/43/00/39/344430039.db2.gz OSMBXWSSGHOJEN-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C)CN1 219956668 344430041 /nfs/dbraw/zinc/43/00/41/344430041.db2.gz OSMBXWSSGHOJEN-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN2CCC[C@@H]12 220684445 344434177 /nfs/dbraw/zinc/43/41/77/344434177.db2.gz QVPBLSDKGPIHNB-BDAKNGLRSA-N 1 3 181.283 1.200 10 0 ADAEHO CC(=[NH2+])N[C@H]1CCN2CCCC[C@@H]12 220671374 344434201 /nfs/dbraw/zinc/43/42/01/344434201.db2.gz GHSUMXVUYCDVFH-UWVGGRQHSA-N 1 3 181.283 1.200 10 0 ADAEHO CC(=[NH2+])N[C@@H]1CCN2CCCC[C@@H]12 220671314 344434300 /nfs/dbraw/zinc/43/43/00/344434300.db2.gz GHSUMXVUYCDVFH-ZJUUUORDSA-N 1 3 181.283 1.200 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN2CCCC[C@@H]12 220687139 344434316 /nfs/dbraw/zinc/43/43/16/344434316.db2.gz ISZRZQQIXOOJJV-UWVGGRQHSA-N 1 3 195.310 1.590 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN2CCC[C@@H]12 220684504 344434451 /nfs/dbraw/zinc/43/44/51/344434451.db2.gz QVPBLSDKGPIHNB-IUCAKERBSA-N 1 3 181.283 1.200 10 0 ADAEHO C[C@H]1CN([C@H](C)CC[NH3+])CCS1 220924571 344436846 /nfs/dbraw/zinc/43/68/46/344436846.db2.gz XVEAQXQYUHOPQM-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N)C1)C1CCC1 221074316 344437367 /nfs/dbraw/zinc/43/73/67/344437367.db2.gz LMJJYTVKCADNMF-JMJZKYOTSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N)C1)C1CCC1 221074444 344437577 /nfs/dbraw/zinc/43/75/77/344437577.db2.gz LMJJYTVKCADNMF-GDPRMGEGSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H](C1CCC1)N1CC[C@@H]([NH3+])C1 221082847 344438018 /nfs/dbraw/zinc/43/80/18/344438018.db2.gz XXIRCICAVHKTCI-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](C1CCC1)N1CC[C@@H]([NH3+])C1 221082912 344438185 /nfs/dbraw/zinc/43/81/85/344438185.db2.gz XXIRCICAVHKTCI-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C2CCC2)C1 221082334 344438205 /nfs/dbraw/zinc/43/82/05/344438205.db2.gz DSQVZSVSAMIBFO-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C2CCC2)C1 221082334 344438206 /nfs/dbraw/zinc/43/82/06/344438206.db2.gz DSQVZSVSAMIBFO-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CC[C@@H](N)C1 221382264 344442549 /nfs/dbraw/zinc/44/25/49/344442549.db2.gz ZTUPYNMHWKXGNM-PSASIEDQSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CC[C@@H](N)C1 221382264 344442552 /nfs/dbraw/zinc/44/25/52/344442552.db2.gz ZTUPYNMHWKXGNM-PSASIEDQSA-N 1 3 168.284 1.351 10 0 ADAEHO CN(C1CCC1)[C@@H]1CC[C@@H]([NH3+])C1 221382264 344442555 /nfs/dbraw/zinc/44/25/55/344442555.db2.gz ZTUPYNMHWKXGNM-PSASIEDQSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CC[C@@H](N)C1 221382325 344442663 /nfs/dbraw/zinc/44/26/63/344442663.db2.gz ZTUPYNMHWKXGNM-SCZZXKLOSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CC[C@@H](N)C1 221382325 344442666 /nfs/dbraw/zinc/44/26/66/344442666.db2.gz ZTUPYNMHWKXGNM-SCZZXKLOSA-N 1 3 168.284 1.351 10 0 ADAEHO CN(C1CCC1)[C@H]1CC[C@@H]([NH3+])C1 221382325 344442669 /nfs/dbraw/zinc/44/26/69/344442669.db2.gz ZTUPYNMHWKXGNM-SCZZXKLOSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CCC[C@@H](N)C1 221386022 344442836 /nfs/dbraw/zinc/44/28/36/344442836.db2.gz BAJIRCCCGNXYGO-KOLCDFICSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CCC[C@@H](N)C1 221386022 344442838 /nfs/dbraw/zinc/44/28/38/344442838.db2.gz BAJIRCCCGNXYGO-KOLCDFICSA-N 1 3 182.311 1.741 10 0 ADAEHO CN(C1CCC1)[C@H]1CCC[C@@H]([NH3+])C1 221386022 344442839 /nfs/dbraw/zinc/44/28/39/344442839.db2.gz BAJIRCCCGNXYGO-KOLCDFICSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CCC[C@@H](N)C1 221385968 344442969 /nfs/dbraw/zinc/44/29/69/344442969.db2.gz BAJIRCCCGNXYGO-MWLCHTKSSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CCC[C@@H](N)C1 221385968 344442970 /nfs/dbraw/zinc/44/29/70/344442970.db2.gz BAJIRCCCGNXYGO-MWLCHTKSSA-N 1 3 182.311 1.741 10 0 ADAEHO CN(C1CCC1)[C@@H]1CCC[C@@H]([NH3+])C1 221385968 344442971 /nfs/dbraw/zinc/44/29/71/344442971.db2.gz BAJIRCCCGNXYGO-MWLCHTKSSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCCC[C@@H]1C 221639555 344444873 /nfs/dbraw/zinc/44/48/73/344444873.db2.gz QVNSDLPZPFYUEJ-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221782031 344445937 /nfs/dbraw/zinc/44/59/37/344445937.db2.gz VRCIKRSZLIFJRZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 221782031 344445941 /nfs/dbraw/zinc/44/59/41/344445941.db2.gz VRCIKRSZLIFJRZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 221782031 344445945 /nfs/dbraw/zinc/44/59/45/344445945.db2.gz VRCIKRSZLIFJRZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC)[C@@H](C)[C@@H]1C 221806113 344445956 /nfs/dbraw/zinc/44/59/56/344445956.db2.gz YWTWRHLORXVBJJ-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN(C2CC2)[C@@H]1C 221806726 344446098 /nfs/dbraw/zinc/44/60/98/344446098.db2.gz VMPFADNXQSRGED-QXFUBDJGSA-N 1 3 168.284 1.206 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)[C@@H](C)[C@@H]1C 221779300 344446117 /nfs/dbraw/zinc/44/61/17/344446117.db2.gz GWVWMGALMGOKML-GARJFASQSA-N 1 3 184.327 1.713 10 0 ADAEHO C[N@H+]1C[C@H](C2CCCCC2)[C@@H](N)C1 221780928 344446141 /nfs/dbraw/zinc/44/61/41/344446141.db2.gz FBCKDUCZBBCBMU-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[N@@H+]1C[C@H](C2CCCCC2)[C@@H](N)C1 221780928 344446142 /nfs/dbraw/zinc/44/61/42/344446142.db2.gz FBCKDUCZBBCBMU-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)[C@@H]1C 221807042 344446190 /nfs/dbraw/zinc/44/61/90/344446190.db2.gz SCGMQQBFHGUDAM-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)[C@@H]1C 221807042 344446191 /nfs/dbraw/zinc/44/61/91/344446191.db2.gz SCGMQQBFHGUDAM-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)[C@@H](C)[C@@H]1C 221807042 344446192 /nfs/dbraw/zinc/44/61/92/344446192.db2.gz SCGMQQBFHGUDAM-SDDRHHMPSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN1CC[C@H]([NH2+]C)[C@@H](C)[C@@H]1C 221806276 344446201 /nfs/dbraw/zinc/44/62/01/344446201.db2.gz FGBRNGCZUSGASI-GUBZILKMSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](C)CN 221890058 344447066 /nfs/dbraw/zinc/44/70/66/344447066.db2.gz RQTOQUIJAVNPJT-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@H+](C2CCC2)[C@@H]1C 221936195 344447361 /nfs/dbraw/zinc/44/73/61/344447361.db2.gz ULDZYGRMCXTYAJ-IQJOONFLSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@@H+](C2CCC2)[C@@H]1C 221936195 344447364 /nfs/dbraw/zinc/44/73/64/344447364.db2.gz ULDZYGRMCXTYAJ-IQJOONFLSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN(C2CCC2)[C@@H]1C 221936195 344447365 /nfs/dbraw/zinc/44/73/65/344447365.db2.gz ULDZYGRMCXTYAJ-IQJOONFLSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H](N)[C@@H]([N@H+](C)C2CC2)C1 222002348 344447702 /nfs/dbraw/zinc/44/77/02/344447702.db2.gz KAQPBKGFKLZOTR-IEBDPFPHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H](N)[C@@H]([N@@H+](C)C2CC2)C1 222002348 344447705 /nfs/dbraw/zinc/44/77/05/344447705.db2.gz KAQPBKGFKLZOTR-IEBDPFPHSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1CC[C@@H](N)[C@@H]([N@H+](C)C2CC2)C1 222003806 344447747 /nfs/dbraw/zinc/44/77/47/344447747.db2.gz GGWSTQCEXJHCQY-JLLWLGSASA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1CC[C@@H](N)[C@@H]([N@@H+](C)C2CC2)C1 222003806 344447748 /nfs/dbraw/zinc/44/77/48/344447748.db2.gz GGWSTQCEXJHCQY-JLLWLGSASA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1CC[C@H](N)[C@@H]([N@H+](C)C2CC2)C1 222003903 344447761 /nfs/dbraw/zinc/44/77/61/344447761.db2.gz GGWSTQCEXJHCQY-USWWRNFRSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1CC[C@H](N)[C@@H]([N@@H+](C)C2CC2)C1 222003903 344447763 /nfs/dbraw/zinc/44/77/63/344447763.db2.gz GGWSTQCEXJHCQY-USWWRNFRSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1SCC[N@@H+]([C@H](C)CN)[C@H]1C 221964379 344448025 /nfs/dbraw/zinc/44/80/25/344448025.db2.gz OVPTYVZTRNNLHT-VGMNWLOBSA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@@H]1SCC[N@H+]([C@H](C)CN)[C@H]1C 221964379 344448026 /nfs/dbraw/zinc/44/80/26/344448026.db2.gz OVPTYVZTRNNLHT-VGMNWLOBSA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@H]1CCCC[N@H+]1[C@@H](C)[C@H](C)CN 222120877 344448977 /nfs/dbraw/zinc/44/89/77/344448977.db2.gz TXBWATYHXGVRQO-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1[C@@H](C)[C@H](C)CN 222120877 344448979 /nfs/dbraw/zinc/44/89/79/344448979.db2.gz TXBWATYHXGVRQO-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[C@]1(N)C[NH3+] 222118835 344448991 /nfs/dbraw/zinc/44/89/91/344448991.db2.gz GNHDJRGXWLHZDA-VGMNWLOBSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[C@@](N)(C[NH3+])C1 222118725 344449044 /nfs/dbraw/zinc/44/90/44/344449044.db2.gz GNHDJRGXWLHZDA-HLTSFMKQSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)[C@H](C)CN)C1 222124868 344449082 /nfs/dbraw/zinc/44/90/82/344449082.db2.gz ZFBOGNKXJODATM-KXNHARMFSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@H](C)CN)C1 222124868 344449086 /nfs/dbraw/zinc/44/90/86/344449086.db2.gz ZFBOGNKXJODATM-KXNHARMFSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@H](C)[C@@H](C)CN)C1 222124760 344449167 /nfs/dbraw/zinc/44/91/67/344449167.db2.gz ZFBOGNKXJODATM-WHOHXGKFSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)[C@@H](C)CN)C1 222124760 344449169 /nfs/dbraw/zinc/44/91/69/344449169.db2.gz ZFBOGNKXJODATM-WHOHXGKFSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@H](C)[C@H](C)CN)C1 222124814 344449283 /nfs/dbraw/zinc/44/92/83/344449283.db2.gz ZFBOGNKXJODATM-WRWGMCAJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)[C@H](C)CN)C1 222124814 344449287 /nfs/dbraw/zinc/44/92/87/344449287.db2.gz ZFBOGNKXJODATM-WRWGMCAJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1CCCC[N@H+]1[C@H](C)[C@H](C)CN 222120825 344449394 /nfs/dbraw/zinc/44/93/94/344449394.db2.gz TXBWATYHXGVRQO-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1[C@H](C)[C@H](C)CN 222120825 344449395 /nfs/dbraw/zinc/44/93/95/344449395.db2.gz TXBWATYHXGVRQO-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@@H]([NH+](C)C)C1 222306415 344451199 /nfs/dbraw/zinc/45/11/99/344451199.db2.gz YWWFIHMYWJRUAX-BBBLOLIVSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH3+])[C@@H](N(C)C)C1 222306415 344451201 /nfs/dbraw/zinc/45/12/01/344451201.db2.gz YWWFIHMYWJRUAX-BBBLOLIVSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@@H]([NH+](C)C)C1 222306302 344451332 /nfs/dbraw/zinc/45/13/32/344451332.db2.gz YWWFIHMYWJRUAX-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](N(C)C)C1 222306302 344451334 /nfs/dbraw/zinc/45/13/34/344451334.db2.gz YWWFIHMYWJRUAX-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@H](C)N1CC[C@@H]([NH3+])C1 222495050 344452298 /nfs/dbraw/zinc/45/22/98/344452298.db2.gz SWTPZMPXDZOYIZ-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@H](C)N1CC[C@@H]([NH3+])C1 222494989 344452319 /nfs/dbraw/zinc/45/23/19/344452319.db2.gz SWTPZMPXDZOYIZ-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[C@@H](C)N1CC[C@@H]([NH3+])C1 222498407 344452789 /nfs/dbraw/zinc/45/27/89/344452789.db2.gz BIGXRTZQXKXIGW-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 222498319 344452806 /nfs/dbraw/zinc/45/28/06/344452806.db2.gz PAILYCLLTICZQH-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C(C)C)C1 222498319 344452807 /nfs/dbraw/zinc/45/28/07/344452807.db2.gz PAILYCLLTICZQH-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@H](C)N1CC[C@@H]([NH3+])C1 222498460 344452886 /nfs/dbraw/zinc/45/28/86/344452886.db2.gz BIGXRTZQXKXIGW-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H](N)C1 222533300 344452989 /nfs/dbraw/zinc/45/29/89/344452989.db2.gz RPYSIQCOWMOADB-LMLFDSFASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H](N)C1 222533300 344452991 /nfs/dbraw/zinc/45/29/91/344452991.db2.gz RPYSIQCOWMOADB-LMLFDSFASA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](N)C1 222724840 344454185 /nfs/dbraw/zinc/45/41/85/344454185.db2.gz ZFFSXEGHEDUALC-IVZWLZJFSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CC[C@@H](N)C1 222724961 344454281 /nfs/dbraw/zinc/45/42/81/344454281.db2.gz ZFFSXEGHEDUALC-AEJSXWLSSA-N 1 3 170.300 1.500 10 0 ADAEHO CC1(C)C[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 222819360 344454459 /nfs/dbraw/zinc/45/44/59/344454459.db2.gz KGCUYLARALMJQK-HLTSFMKQSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 222819360 344454461 /nfs/dbraw/zinc/45/44/61/344454461.db2.gz KGCUYLARALMJQK-HLTSFMKQSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)C[C@@H]1N[C@H]1CC[C@@H]([NH3+])C1 222819487 344454474 /nfs/dbraw/zinc/45/44/74/344454474.db2.gz KGCUYLARALMJQK-VGMNWLOBSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](N)C1 222819487 344454475 /nfs/dbraw/zinc/45/44/75/344454475.db2.gz KGCUYLARALMJQK-VGMNWLOBSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 222837646 344454814 /nfs/dbraw/zinc/45/48/14/344454814.db2.gz JRVOQMXJVNELOJ-DBIOUOCHSA-N 1 3 182.311 1.644 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C1 222864492 344454865 /nfs/dbraw/zinc/45/48/65/344454865.db2.gz OJKQAEAXMKXARP-MXWKQRLJSA-N 1 3 180.295 1.565 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 223000739 344455377 /nfs/dbraw/zinc/45/53/77/344455377.db2.gz SUZDMZNJFPSOSR-KYXWUPHJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 223000739 344455378 /nfs/dbraw/zinc/45/53/78/344455378.db2.gz SUZDMZNJFPSOSR-KYXWUPHJSA-N 1 3 168.284 1.254 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCC[C@@H](N)C1 223117265 344456477 /nfs/dbraw/zinc/45/64/77/344456477.db2.gz LBZLFIOEUFTUHO-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCC[C@@H](N)C1 223117265 344456478 /nfs/dbraw/zinc/45/64/78/344456478.db2.gz LBZLFIOEUFTUHO-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCN(C)[C@@H]1CCC[C@@H]([NH3+])C1 223117265 344456480 /nfs/dbraw/zinc/45/64/80/344456480.db2.gz LBZLFIOEUFTUHO-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CN(C1CC1)[C@H]1CCC[C@@H]([NH3+])C1 223115653 344456502 /nfs/dbraw/zinc/45/65/02/344456502.db2.gz BEMMPNALWHDCNC-SCZZXKLOSA-N 1 3 168.284 1.351 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCC[C@@H](N)C1 223106251 344456510 /nfs/dbraw/zinc/45/65/10/344456510.db2.gz FFPGLWBNTDZFHU-ZJUUUORDSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCC[C@@H](N)C1 223106251 344456512 /nfs/dbraw/zinc/45/65/12/344456512.db2.gz FFPGLWBNTDZFHU-ZJUUUORDSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)N(C)[C@H]1CCC[C@@H]([NH3+])C1 223106251 344456514 /nfs/dbraw/zinc/45/65/14/344456514.db2.gz FFPGLWBNTDZFHU-ZJUUUORDSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CC[C@@H](N)C1 223116027 344456560 /nfs/dbraw/zinc/45/65/60/344456560.db2.gz MGAIZMKKWDLRMF-ZJUUUORDSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CC[C@@H](N)C1 223116027 344456562 /nfs/dbraw/zinc/45/65/62/344456562.db2.gz MGAIZMKKWDLRMF-ZJUUUORDSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CC[C@@H](N)C1 223106307 344456574 /nfs/dbraw/zinc/45/65/74/344456574.db2.gz ROTRRMNXQLWHKN-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223106307 344456575 /nfs/dbraw/zinc/45/65/75/344456575.db2.gz ROTRRMNXQLWHKN-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[C@@H]([NH3+])C1 223106307 344456578 /nfs/dbraw/zinc/45/65/78/344456578.db2.gz ROTRRMNXQLWHKN-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CC[C@@H](N)C1 223106373 344456634 /nfs/dbraw/zinc/45/66/34/344456634.db2.gz ROTRRMNXQLWHKN-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CC[C@@H](N)C1 223106373 344456637 /nfs/dbraw/zinc/45/66/37/344456637.db2.gz ROTRRMNXQLWHKN-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N(C)[C@H]1CC[C@@H]([NH3+])C1 223106373 344456640 /nfs/dbraw/zinc/45/66/40/344456640.db2.gz ROTRRMNXQLWHKN-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CN(C1CC1)[C@@H]1CCC[C@@H]([NH3+])C1 223115597 344456711 /nfs/dbraw/zinc/45/67/11/344456711.db2.gz BEMMPNALWHDCNC-PSASIEDQSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@H+](C1CCCC1)[C@H]1CC[C@@H](N)C1 223116545 344456717 /nfs/dbraw/zinc/45/67/17/344456717.db2.gz YJSKOHQKAGALAV-KOLCDFICSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@H]1CC[C@@H](N)C1 223116545 344456719 /nfs/dbraw/zinc/45/67/19/344456719.db2.gz YJSKOHQKAGALAV-KOLCDFICSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@H+](C1CCCC1)[C@@H]1CC[C@@H](N)C1 223116490 344456788 /nfs/dbraw/zinc/45/67/88/344456788.db2.gz YJSKOHQKAGALAV-MWLCHTKSSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@@H]1CC[C@@H](N)C1 223116490 344456790 /nfs/dbraw/zinc/45/67/90/344456790.db2.gz YJSKOHQKAGALAV-MWLCHTKSSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC[N@H+](C)[C@H]1CC[C@@H](N)C1 223117431 344456807 /nfs/dbraw/zinc/45/68/07/344456807.db2.gz LKBUIKVSSFNMQL-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CC[C@@H](N)C1 223117431 344456810 /nfs/dbraw/zinc/45/68/10/344456810.db2.gz LKBUIKVSSFNMQL-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCN(C)[C@H]1CC[C@@H]([NH3+])C1 223117431 344456812 /nfs/dbraw/zinc/45/68/12/344456812.db2.gz LKBUIKVSSFNMQL-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](N)C1 223104767 344456841 /nfs/dbraw/zinc/45/68/41/344456841.db2.gz VWFMTMIXFPOEFB-GMTAPVOTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](N)C1 223104767 344456842 /nfs/dbraw/zinc/45/68/42/344456842.db2.gz VWFMTMIXFPOEFB-GMTAPVOTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](N)C2)C1 223105527 344456862 /nfs/dbraw/zinc/45/68/62/344456862.db2.gz BAXRGMISMFSZEX-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](N)C2)C1 223105527 344456865 /nfs/dbraw/zinc/45/68/65/344456865.db2.gz BAXRGMISMFSZEX-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@@H](N)C1 223117376 344456884 /nfs/dbraw/zinc/45/68/84/344456884.db2.gz LKBUIKVSSFNMQL-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223117376 344456885 /nfs/dbraw/zinc/45/68/85/344456885.db2.gz LKBUIKVSSFNMQL-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@@H]([NH3+])C1 223117376 344456887 /nfs/dbraw/zinc/45/68/87/344456887.db2.gz LKBUIKVSSFNMQL-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCC[C@@H](N)C1 223106182 344456915 /nfs/dbraw/zinc/45/69/15/344456915.db2.gz FFPGLWBNTDZFHU-NXEZZACHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCC[C@@H](N)C1 223106182 344456917 /nfs/dbraw/zinc/45/69/17/344456917.db2.gz FFPGLWBNTDZFHU-NXEZZACHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)N(C)[C@@H]1CCC[C@@H]([NH3+])C1 223106182 344456919 /nfs/dbraw/zinc/45/69/19/344456919.db2.gz FFPGLWBNTDZFHU-NXEZZACHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CC[C@@H](N)C1 223115974 344456942 /nfs/dbraw/zinc/45/69/42/344456942.db2.gz MGAIZMKKWDLRMF-NXEZZACHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CC[C@@H](N)C1 223115974 344456944 /nfs/dbraw/zinc/45/69/44/344456944.db2.gz MGAIZMKKWDLRMF-NXEZZACHSA-N 1 3 170.300 1.597 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCC[C@@H](N)C1 223117317 344456989 /nfs/dbraw/zinc/45/69/89/344456989.db2.gz LBZLFIOEUFTUHO-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCC[C@@H](N)C1 223117317 344456991 /nfs/dbraw/zinc/45/69/91/344456991.db2.gz LBZLFIOEUFTUHO-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCN(C)[C@H]1CCC[C@@H]([NH3+])C1 223117317 344456994 /nfs/dbraw/zinc/45/69/94/344456994.db2.gz LBZLFIOEUFTUHO-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 223100361 344457003 /nfs/dbraw/zinc/45/70/03/344457003.db2.gz ZDIQGLFXAQNRKW-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 223100361 344457004 /nfs/dbraw/zinc/45/70/04/344457004.db2.gz ZDIQGLFXAQNRKW-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CCC[C@@H](N)C1 223134500 344457215 /nfs/dbraw/zinc/45/72/15/344457215.db2.gz QNLUAYIFGUUVDH-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CCC[C@@H](N)C1 223134500 344457216 /nfs/dbraw/zinc/45/72/16/344457216.db2.gz QNLUAYIFGUUVDH-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](N)C2)C1 223135084 344457286 /nfs/dbraw/zinc/45/72/86/344457286.db2.gz DERMVFAKZXACNO-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](N)C2)C1 223135084 344457287 /nfs/dbraw/zinc/45/72/87/344457287.db2.gz DERMVFAKZXACNO-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H](N)C1 223134005 344457293 /nfs/dbraw/zinc/45/72/93/344457293.db2.gz DACRJYICGKVFAC-GMTAPVOTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H](N)C1 223134005 344457295 /nfs/dbraw/zinc/45/72/95/344457295.db2.gz DACRJYICGKVFAC-GMTAPVOTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@H+](CC1CCC1)[C@@H]1CCC[C@@H](N)C1 223169655 344457331 /nfs/dbraw/zinc/45/73/31/344457331.db2.gz QPUIXPXPRKCKME-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@@H]1CCC[C@@H](N)C1 223169655 344457333 /nfs/dbraw/zinc/45/73/33/344457333.db2.gz QPUIXPXPRKCKME-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CC[C@@H](N)C1 223134627 344457365 /nfs/dbraw/zinc/45/73/65/344457365.db2.gz LMEUFBKFYLEMCX-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CC[C@@H](N)C1 223134627 344457367 /nfs/dbraw/zinc/45/73/67/344457367.db2.gz LMEUFBKFYLEMCX-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(CC1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223134627 344457369 /nfs/dbraw/zinc/45/73/69/344457369.db2.gz LMEUFBKFYLEMCX-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](N)C1 223134115 344457475 /nfs/dbraw/zinc/45/74/75/344457475.db2.gz ZEZWUSUSBSDCEL-OPRDCNLKSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](N)C1 223134115 344457476 /nfs/dbraw/zinc/45/74/76/344457476.db2.gz ZEZWUSUSBSDCEL-OPRDCNLKSA-N 1 3 168.284 1.351 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](N)C1 223122937 344457510 /nfs/dbraw/zinc/45/75/10/344457510.db2.gz WCCUCNIAOOUZHC-HBNTYKKESA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](N)C2)C1 223135214 344457560 /nfs/dbraw/zinc/45/75/60/344457560.db2.gz AFYCQVZNIBMDHB-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](N)C2)C1 223135214 344457562 /nfs/dbraw/zinc/45/75/62/344457562.db2.gz AFYCQVZNIBMDHB-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CCC[C@@H](N)C1 223134566 344457598 /nfs/dbraw/zinc/45/75/98/344457598.db2.gz QNLUAYIFGUUVDH-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CCC[C@@H](N)C1 223134566 344457601 /nfs/dbraw/zinc/45/76/01/344457601.db2.gz QNLUAYIFGUUVDH-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](N)C1 223134375 344457647 /nfs/dbraw/zinc/45/76/47/344457647.db2.gz OSFOULWHCWPPLE-GMTAPVOTSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](N)C1 223134375 344457650 /nfs/dbraw/zinc/45/76/50/344457650.db2.gz OSFOULWHCWPPLE-GMTAPVOTSA-N 1 3 182.311 1.741 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CC[C@@H](N)C1 223134685 344457662 /nfs/dbraw/zinc/45/76/62/344457662.db2.gz LMEUFBKFYLEMCX-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CC[C@@H](N)C1 223134685 344457664 /nfs/dbraw/zinc/45/76/64/344457664.db2.gz LMEUFBKFYLEMCX-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@H]1CC[C@@H](N)C1 223176704 344457906 /nfs/dbraw/zinc/45/79/06/344457906.db2.gz MTOCQZFWICGEDA-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H](N)C1 223189171 344458087 /nfs/dbraw/zinc/45/80/87/344458087.db2.gz UHKYQRBDRHBAKC-WRWGMCAJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[N@H+](CC1CCC1)[C@H]1CCC[C@@H](N)C1 223169714 344458314 /nfs/dbraw/zinc/45/83/14/344458314.db2.gz QPUIXPXPRKCKME-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@H]1CCC[C@@H](N)C1 223169714 344458316 /nfs/dbraw/zinc/45/83/16/344458316.db2.gz QPUIXPXPRKCKME-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C)N1CCC([NH+](C)C)CC1 223253666 344458579 /nfs/dbraw/zinc/45/85/79/344458579.db2.gz ROVXNHXETZMNNW-SNVBAGLBSA-N 1 3 184.327 1.811 10 0 ADAEHO CC[C@H](C)N1CCC([NH+](C)C)CC1 223253716 344458648 /nfs/dbraw/zinc/45/86/48/344458648.db2.gz ROVXNHXETZMNNW-JTQLQIEISA-N 1 3 184.327 1.811 10 0 ADAEHO CN[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 223314267 344459217 /nfs/dbraw/zinc/45/92/17/344459217.db2.gz OKWYBLMZIQRTIJ-NEPJUHHUSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 223314267 344459218 /nfs/dbraw/zinc/45/92/18/344459218.db2.gz OKWYBLMZIQRTIJ-NEPJUHHUSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 223314208 344459578 /nfs/dbraw/zinc/45/95/78/344459578.db2.gz OKWYBLMZIQRTIJ-VXGBXAGGSA-N 1 3 194.322 1.636 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 223314208 344459581 /nfs/dbraw/zinc/45/95/81/344459581.db2.gz OKWYBLMZIQRTIJ-VXGBXAGGSA-N 1 3 194.322 1.636 10 0 ADAEHO F[C@H]1CCN(CC2CC[NH2+]CC2)C1 223639096 344460721 /nfs/dbraw/zinc/46/07/21/344460721.db2.gz JUYGUEGYFDCWAE-JTQLQIEISA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC[C@@H]1C 223931568 344464070 /nfs/dbraw/zinc/46/40/70/344464070.db2.gz PZDQKOQHECDXSG-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 224116247 344466268 /nfs/dbraw/zinc/46/62/68/344466268.db2.gz KEZZTJKRPPSKDM-AEJSXWLSSA-N 1 3 168.284 1.256 10 0 ADAEHO N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 224116294 344466545 /nfs/dbraw/zinc/46/65/45/344466545.db2.gz KEZZTJKRPPSKDM-BBBLOLIVSA-N 1 3 168.284 1.256 10 0 ADAEHO CC[C@@H]1CC[C@H](CN)[C@@H]([NH3+])C1 224326111 344467848 /nfs/dbraw/zinc/46/78/48/344467848.db2.gz OMIONCHSXDKRCL-HLTSFMKQSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@H](CN)[C@@H]([NH3+])C1 224325615 344468059 /nfs/dbraw/zinc/46/80/59/344468059.db2.gz DTFWREXGUOEOCU-BBBLOLIVSA-N 1 3 184.327 1.735 10 0 ADAEHO CC[C@@H]1CC[C@@H](CN)[C@@H]([NH3+])C1 224325999 344468064 /nfs/dbraw/zinc/46/80/64/344468064.db2.gz OMIONCHSXDKRCL-VGMNWLOBSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@@H](CN)[C@@H]([NH3+])C1 224325509 344468078 /nfs/dbraw/zinc/46/80/78/344468078.db2.gz DTFWREXGUOEOCU-AEJSXWLSSA-N 1 3 184.327 1.735 10 0 ADAEHO CC[C@H]1C[N@H+](C)[C@@H](C)CCN1 224400907 344468280 /nfs/dbraw/zinc/46/82/80/344468280.db2.gz WQDGRMYILVAFDX-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@H]1C[N@@H+](C)[C@@H](C)CCN1 224400907 344468283 /nfs/dbraw/zinc/46/82/83/344468283.db2.gz WQDGRMYILVAFDX-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CCC[C@H]1C[N@H+](CC)[C@@H](C)CCN1 224377134 344468456 /nfs/dbraw/zinc/46/84/56/344468456.db2.gz NTUWORPEMOZQQI-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]1C[N@@H+](CC)[C@@H](C)CCN1 224377134 344468458 /nfs/dbraw/zinc/46/84/58/344468458.db2.gz NTUWORPEMOZQQI-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H]1CN(CC)[C@@H](C)CC[NH2+]1 224377134 344468460 /nfs/dbraw/zinc/46/84/60/344468460.db2.gz NTUWORPEMOZQQI-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1C[N@H+](C)[C@@H](C)CCN1 224400861 344468496 /nfs/dbraw/zinc/46/84/96/344468496.db2.gz WQDGRMYILVAFDX-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO CCC[C@@H]1C[N@H+](C)[C@@H](C)CCN1 224384564 344468522 /nfs/dbraw/zinc/46/85/22/344468522.db2.gz OXCYVZFFHFMMEK-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H]1C[N@@H+](C)[C@@H](C)CCN1 224400861 344468498 /nfs/dbraw/zinc/46/84/98/344468498.db2.gz WQDGRMYILVAFDX-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO CCC[C@@H]1C[N@@H+](C)[C@@H](C)CCN1 224384564 344468524 /nfs/dbraw/zinc/46/85/24/344468524.db2.gz OXCYVZFFHFMMEK-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@H]1C[N@H+](C)[C@@H](C)CCN1 224384619 344468547 /nfs/dbraw/zinc/46/85/47/344468547.db2.gz OXCYVZFFHFMMEK-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@@H]1C[N@H+](CC)[C@@H](C)CCN1 224377086 344468637 /nfs/dbraw/zinc/46/86/37/344468637.db2.gz NTUWORPEMOZQQI-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1C[N@@H+](CC)[C@@H](C)CCN1 224377086 344468638 /nfs/dbraw/zinc/46/86/38/344468638.db2.gz NTUWORPEMOZQQI-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1CN(CC)[C@@H](C)CC[NH2+]1 224377086 344468639 /nfs/dbraw/zinc/46/86/39/344468639.db2.gz NTUWORPEMOZQQI-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@H+](C)[C@@H](C)CCN1 224366433 344468655 /nfs/dbraw/zinc/46/86/55/344468655.db2.gz OBOZXZWMNDOWPB-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@@H+](C)[C@@H](C)CCN1 224366433 344468656 /nfs/dbraw/zinc/46/86/56/344468656.db2.gz OBOZXZWMNDOWPB-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@H+](C)[C@@H](C)CCN1 224366330 344468671 /nfs/dbraw/zinc/46/86/71/344468671.db2.gz OBOZXZWMNDOWPB-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H](C)CCN1 224366330 344468673 /nfs/dbraw/zinc/46/86/73/344468673.db2.gz OBOZXZWMNDOWPB-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@]1(C)C[N@H+](C)[C@@H](C)CCN1 224414466 344468923 /nfs/dbraw/zinc/46/89/23/344468923.db2.gz NCZOZNYNUHLPDY-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@]1(C)C[N@@H+](C)[C@@H](C)CCN1 224414466 344468924 /nfs/dbraw/zinc/46/89/24/344468924.db2.gz NCZOZNYNUHLPDY-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@]1(C)CN(C)[C@@H](C)CC[NH2+]1 224414466 344468925 /nfs/dbraw/zinc/46/89/25/344468925.db2.gz NCZOZNYNUHLPDY-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@]1(C)C[N@H+](C)[C@@H](C)CCN1 224414412 344469206 /nfs/dbraw/zinc/46/92/06/344469206.db2.gz NCZOZNYNUHLPDY-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@]1(C)C[N@@H+](C)[C@@H](C)CCN1 224414412 344469208 /nfs/dbraw/zinc/46/92/08/344469208.db2.gz NCZOZNYNUHLPDY-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@]1(C)CN(C)[C@@H](C)CC[NH2+]1 224414412 344469209 /nfs/dbraw/zinc/46/92/09/344469209.db2.gz NCZOZNYNUHLPDY-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H](C)[C@H]1CN[C@@H](C)CC[NH2+]1 224651486 344471251 /nfs/dbraw/zinc/47/12/51/344471251.db2.gz FJRDVZLDKKWTBT-LPEHRKFASA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[C@H]1C[NH2+][C@@H](C)CCN1 224651486 344471254 /nfs/dbraw/zinc/47/12/54/344471254.db2.gz FJRDVZLDKKWTBT-LPEHRKFASA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[C@@H]1CN[C@@H](C)CC[NH2+]1 224651400 344471285 /nfs/dbraw/zinc/47/12/85/344471285.db2.gz FJRDVZLDKKWTBT-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[C@@H]1C[NH2+][C@@H](C)CCN1 224651400 344471289 /nfs/dbraw/zinc/47/12/89/344471289.db2.gz FJRDVZLDKKWTBT-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1[C@H](C)CCC[N@H+]1C[C@H](C)CN 224671162 344472049 /nfs/dbraw/zinc/47/20/49/344472049.db2.gz LCDSTKRZGDHNES-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1[C@H](C)CCC[N@@H+]1C[C@H](C)CN 224671162 344472051 /nfs/dbraw/zinc/47/20/51/344472051.db2.gz LCDSTKRZGDHNES-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H]1CC[C@@H](N)[C@@H]([NH+](C)C)C1 225337078 344479874 /nfs/dbraw/zinc/47/98/74/344479874.db2.gz MDKHKFVNDRIHGU-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@@H]1CC[C@H](N)[C@@H]([NH+](C)C)C1 225337149 344480147 /nfs/dbraw/zinc/48/01/47/344480147.db2.gz MDKHKFVNDRIHGU-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C)[C@@H]1CCC[C@@H]([NH2+]C)C1 225390467 344480216 /nfs/dbraw/zinc/48/02/16/344480216.db2.gz FNPWAXAOZIAPAH-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(C)[C@H]1CCC[C@@H]([NH2+]C)C1 225390513 344480360 /nfs/dbraw/zinc/48/03/60/344480360.db2.gz FNPWAXAOZIAPAH-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@H+](C)C(C)C)C1 225389413 344480457 /nfs/dbraw/zinc/48/04/57/344480457.db2.gz NNIKEAZTCKAHQR-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@@H+](C)C(C)C)C1 225389413 344480459 /nfs/dbraw/zinc/48/04/59/344480459.db2.gz NNIKEAZTCKAHQR-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N(C)C(C)C)C1 225389413 344480461 /nfs/dbraw/zinc/48/04/61/344480461.db2.gz NNIKEAZTCKAHQR-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@@H+](C)C(C)C)C1 225389372 344480470 /nfs/dbraw/zinc/48/04/70/344480470.db2.gz NNIKEAZTCKAHQR-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H](N(C)C(C)C)C1 225389372 344480473 /nfs/dbraw/zinc/48/04/73/344480473.db2.gz NNIKEAZTCKAHQR-GHMZBOCLSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](C)C2)C1 225397785 344481016 /nfs/dbraw/zinc/48/10/16/344481016.db2.gz AISCZRIFOXUADW-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](C)C2)C1 225397785 344481019 /nfs/dbraw/zinc/48/10/19/344481019.db2.gz AISCZRIFOXUADW-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCCN1C[C@@H]([NH3+])C1CC1 225497634 344482422 /nfs/dbraw/zinc/48/24/22/344482422.db2.gz FMIBTBLLZOZFTP-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCCN1C[C@@H]([NH3+])C1CC1 225497595 344482363 /nfs/dbraw/zinc/48/23/63/344482363.db2.gz FMIBTBLLZOZFTP-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@H](C)CC[N@@H+]1CCCN 225692102 344484298 /nfs/dbraw/zinc/48/42/98/344484298.db2.gz QDFUXIQGKKNUGV-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1C[C@H](C)CCN1CCC[NH3+] 225692102 344484304 /nfs/dbraw/zinc/48/43/04/344484304.db2.gz QDFUXIQGKKNUGV-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1C[C@H](C)CC[N@H+]1C[C@H](C)CN 225692440 344484335 /nfs/dbraw/zinc/48/43/35/344484335.db2.gz IZICDEFJXZEWCF-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@H](C)CC[N@@H+]1C[C@H](C)CN 225692440 344484337 /nfs/dbraw/zinc/48/43/37/344484337.db2.gz IZICDEFJXZEWCF-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 225718441 344484383 /nfs/dbraw/zinc/48/43/83/344484383.db2.gz AMZBVCRDOQFSLN-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C)C1 225718441 344484380 /nfs/dbraw/zinc/48/43/80/344484380.db2.gz AMZBVCRDOQFSLN-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)C2)C1 225718733 344484446 /nfs/dbraw/zinc/48/44/46/344484446.db2.gz YXAJWSRXXJUSLH-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C)C2)C1 225718733 344484449 /nfs/dbraw/zinc/48/44/49/344484449.db2.gz YXAJWSRXXJUSLH-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C 225703845 344484492 /nfs/dbraw/zinc/48/44/92/344484492.db2.gz IBEFWPFWUHDZGZ-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@@H](C)C[C@@H]1C 225703845 344484495 /nfs/dbraw/zinc/48/44/95/344484495.db2.gz IBEFWPFWUHDZGZ-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 225718413 344484501 /nfs/dbraw/zinc/48/45/01/344484501.db2.gz AMZBVCRDOQFSLN-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 225718413 344484503 /nfs/dbraw/zinc/48/45/03/344484503.db2.gz AMZBVCRDOQFSLN-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO CCN(C)[C@@H]1CC[C@@H]([NH2+]C)C1 225713754 344484526 /nfs/dbraw/zinc/48/45/26/344484526.db2.gz LWKQBILVRFNWLI-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@H]1CC[N@H+](CCCN)[C@@H](C)C1 225692126 344484610 /nfs/dbraw/zinc/48/46/10/344484610.db2.gz QDFUXIQGKKNUGV-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCN)[C@@H](C)C1 225692126 344484612 /nfs/dbraw/zinc/48/46/12/344484612.db2.gz QDFUXIQGKKNUGV-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCN(CCC[NH3+])[C@@H](C)C1 225692126 344484615 /nfs/dbraw/zinc/48/46/15/344484615.db2.gz QDFUXIQGKKNUGV-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CC[C@@H](C)C[C@@H]1C 225692416 344484662 /nfs/dbraw/zinc/48/46/62/344484662.db2.gz IZICDEFJXZEWCF-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CC[C@@H](C)C[C@@H]1C 225692416 344484665 /nfs/dbraw/zinc/48/46/65/344484665.db2.gz IZICDEFJXZEWCF-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+](C)C(C)C)C1 225710665 344484706 /nfs/dbraw/zinc/48/47/06/344484706.db2.gz HPYULLMQPLICMG-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 225710665 344484708 /nfs/dbraw/zinc/48/47/08/344484708.db2.gz HPYULLMQPLICMG-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](N(C)C(C)C)C1 225710665 344484710 /nfs/dbraw/zinc/48/47/10/344484710.db2.gz HPYULLMQPLICMG-NXEZZACHSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+](C)C(C)C)C1 225710688 344484772 /nfs/dbraw/zinc/48/47/72/344484772.db2.gz HPYULLMQPLICMG-ZJUUUORDSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+](C)C(C)C)C1 225710688 344484774 /nfs/dbraw/zinc/48/47/74/344484774.db2.gz HPYULLMQPLICMG-ZJUUUORDSA-N 1 3 170.300 1.467 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](N(C)C(C)C)C1 225710688 344484775 /nfs/dbraw/zinc/48/47/75/344484775.db2.gz HPYULLMQPLICMG-ZJUUUORDSA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C)C2)C1 225718759 344484811 /nfs/dbraw/zinc/48/48/11/344484811.db2.gz YXAJWSRXXJUSLH-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)C2)C1 225718759 344484812 /nfs/dbraw/zinc/48/48/12/344484812.db2.gz YXAJWSRXXJUSLH-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN(C)[C@H]1CC[C@@H]([NH2+]C)C1 225713784 344484816 /nfs/dbraw/zinc/48/48/16/344484816.db2.gz LWKQBILVRFNWLI-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C)C2)C1 225718982 344485001 /nfs/dbraw/zinc/48/50/01/344485001.db2.gz FRNATULABJWNML-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)C2)C1 225718982 344485005 /nfs/dbraw/zinc/48/50/05/344485005.db2.gz FRNATULABJWNML-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N2CC[C@@H](C)C2)C1 225718982 344485007 /nfs/dbraw/zinc/48/50/07/344485007.db2.gz FRNATULABJWNML-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)C2)C1 225718932 344485150 /nfs/dbraw/zinc/48/51/50/344485150.db2.gz FRNATULABJWNML-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C)C2)C1 225718932 344485153 /nfs/dbraw/zinc/48/51/53/344485153.db2.gz FRNATULABJWNML-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CN1CCC[C@@H]1CN1CCCCC1=[NH2+] 225788141 344486752 /nfs/dbraw/zinc/48/67/52/344486752.db2.gz ZLRKTJCNLIUHGL-SNVBAGLBSA-N 1 3 195.310 1.544 10 0 ADAEHO CCN1CC[C@]2(CC[N@H+](C)C2)C1 226083413 344491979 /nfs/dbraw/zinc/49/19/79/344491979.db2.gz JKJRAMMTPPUSTB-JTQLQIEISA-N 1 3 168.284 1.034 10 0 ADAEHO CCN1CC[C@]2(CC[N@@H+](C)C2)C1 226083413 344491981 /nfs/dbraw/zinc/49/19/81/344491981.db2.gz JKJRAMMTPPUSTB-JTQLQIEISA-N 1 3 168.284 1.034 10 0 ADAEHO C[C@H](CC1CC1)N1CC[C@@H]([NH3+])C1 226134487 344492238 /nfs/dbraw/zinc/49/22/38/344492238.db2.gz AHHXOFPFDNLGBB-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H](CC1CC1)N1CC[C@@H]([NH3+])C1 226134480 344492541 /nfs/dbraw/zinc/49/25/41/344492541.db2.gz AHHXOFPFDNLGBB-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 226297052 344497930 /nfs/dbraw/zinc/49/79/30/344497930.db2.gz SRONFJIUDMTGPX-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 226297052 344497932 /nfs/dbraw/zinc/49/79/32/344497932.db2.gz SRONFJIUDMTGPX-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+]1CC[C@H](C)[C@@H](N)C1 226297060 344497992 /nfs/dbraw/zinc/49/79/92/344497992.db2.gz SRONFJIUDMTGPX-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@H](C)[C@@H](N)C1 226297060 344497994 /nfs/dbraw/zinc/49/79/94/344497994.db2.gz SRONFJIUDMTGPX-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1N 226347561 344500479 /nfs/dbraw/zinc/50/04/79/344500479.db2.gz QQCXDTONDCLBRY-OPRDCNLKSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1N 226347561 344500481 /nfs/dbraw/zinc/50/04/81/344500481.db2.gz QQCXDTONDCLBRY-OPRDCNLKSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](CN)C1 226373895 344500861 /nfs/dbraw/zinc/50/08/61/344500861.db2.gz GWFKNANEIRWJCR-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H](CN)C1 226373895 344500863 /nfs/dbraw/zinc/50/08/63/344500863.db2.gz GWFKNANEIRWJCR-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H](CN)C1 226373886 344500878 /nfs/dbraw/zinc/50/08/78/344500878.db2.gz GWFKNANEIRWJCR-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H](CN)C1 226373886 344500880 /nfs/dbraw/zinc/50/08/80/344500880.db2.gz GWFKNANEIRWJCR-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@H](C)[N@H+](C[C@H](C)CN)C1 226392772 344501359 /nfs/dbraw/zinc/50/13/59/344501359.db2.gz DPAHXVHZGWDBRU-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[C@H](C)[N@@H+](C[C@H](C)CN)C1 226392772 344501361 /nfs/dbraw/zinc/50/13/61/344501361.db2.gz DPAHXVHZGWDBRU-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CSCCN1[C@H](C)CC[NH3+] 226392801 344501449 /nfs/dbraw/zinc/50/14/49/344501449.db2.gz MPAWDKJIDREKHA-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@@H]2CC=CCC2)C1 226432561 344502631 /nfs/dbraw/zinc/50/26/31/344502631.db2.gz QRWVHYQGZNHLLP-WDEREUQCSA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@@H]2CC=CCC2)C1 226432561 344502633 /nfs/dbraw/zinc/50/26/33/344502633.db2.gz QRWVHYQGZNHLLP-WDEREUQCSA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H]2CC=CCC2)C1 226432557 344502724 /nfs/dbraw/zinc/50/27/24/344502724.db2.gz QRWVHYQGZNHLLP-GHMZBOCLSA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H]2CC=CCC2)C1 226432557 344502726 /nfs/dbraw/zinc/50/27/26/344502726.db2.gz QRWVHYQGZNHLLP-GHMZBOCLSA-N 1 3 180.295 1.389 10 0 ADAEHO [NH3+][C@@H]1CCN([C@@H]2CC=CCC2)C1 226433073 344502736 /nfs/dbraw/zinc/50/27/36/344502736.db2.gz QTYKJLFCAZWVEX-NXEZZACHSA-N 1 3 166.268 1.128 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H](CN(C)C)C1 226476199 344504120 /nfs/dbraw/zinc/50/41/20/344504120.db2.gz AXWHSRITMXSHSL-UTUOFQBUSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1CCN1[C@@H]1CCC[NH2+]CC1 226482410 344504174 /nfs/dbraw/zinc/50/41/74/344504174.db2.gz ADLADZICACGTLM-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO C1=CCN([C@H]2CCC[NH2+]CC2)C1 226482436 344504294 /nfs/dbraw/zinc/50/42/94/344504294.db2.gz FWTHDDDZCUMWJP-JTQLQIEISA-N 1 3 166.268 1.000 10 0 ADAEHO CCC1CN([C@H]2CCC[NH2+]CC2)C1 226482399 344504339 /nfs/dbraw/zinc/50/43/39/344504339.db2.gz YBAFRESIWGGTAP-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CCC1CN([C@@H]2CCC[NH2+]CC2)C1 226482395 344504346 /nfs/dbraw/zinc/50/43/46/344504346.db2.gz YBAFRESIWGGTAP-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO C1=CCN([C@@H]2CCC[NH2+]CC2)C1 226482430 344504357 /nfs/dbraw/zinc/50/43/57/344504357.db2.gz FWTHDDDZCUMWJP-SNVBAGLBSA-N 1 3 166.268 1.000 10 0 ADAEHO CC1CN([C@H]2CCC[NH2+]CC2)C1 226482907 344504606 /nfs/dbraw/zinc/50/46/06/344504606.db2.gz SYSLIOJIOQQFKT-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH2+][C@@H](C)CN1CC[C@@H]2CCCC[C@@H]21 226562851 344506729 /nfs/dbraw/zinc/50/67/29/344506729.db2.gz FPRWPBDHOFXTDC-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C[C@H](C)N1CC[C@@H]2CCCC[C@@H]21 226612999 344508687 /nfs/dbraw/zinc/50/86/87/344508687.db2.gz VXVMMMUOYFNKLG-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226612999 344508690 /nfs/dbraw/zinc/50/86/90/344508690.db2.gz VXVMMMUOYFNKLG-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]21 226612999 344508691 /nfs/dbraw/zinc/50/86/91/344508691.db2.gz VXVMMMUOYFNKLG-SRVKXCTJSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C[C@@H](C)N1CC[C@@H]2CCCC[C@@H]21 226612985 344508847 /nfs/dbraw/zinc/50/88/47/344508847.db2.gz VXVMMMUOYFNKLG-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226612985 344508848 /nfs/dbraw/zinc/50/88/48/344508848.db2.gz VXVMMMUOYFNKLG-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]21 226612985 344508850 /nfs/dbraw/zinc/50/88/50/344508850.db2.gz VXVMMMUOYFNKLG-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CC2(C)C)C1 226640115 344509063 /nfs/dbraw/zinc/50/90/63/344509063.db2.gz AQVYEEYAUATALR-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@](C)([NH3+])CN1CC[C@@H](C)C1 226693346 344510268 /nfs/dbraw/zinc/51/02/68/344510268.db2.gz SHRBYKFFMHEAIL-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@](C)([NH3+])CN1CC[C@@H](C)C1 226693354 344510443 /nfs/dbraw/zinc/51/04/43/344510443.db2.gz SHRBYKFFMHEAIL-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCCCC[N@H+]1[C@H](C)CCN 226728099 344511203 /nfs/dbraw/zinc/51/12/03/344511203.db2.gz KDOLBSTVHOPXFK-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCCCC[N@@H+]1[C@H](C)CCN 226728099 344511204 /nfs/dbraw/zinc/51/12/04/344511204.db2.gz KDOLBSTVHOPXFK-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H]([NH3+])CN1CC[C@@H](C)C1 226761906 344512612 /nfs/dbraw/zinc/51/26/12/344512612.db2.gz YSBDIUUGSYFPPG-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H](C)CCN)C1 226755996 344512624 /nfs/dbraw/zinc/51/26/24/344512624.db2.gz BDQKSRSASCQQOZ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H](C)CCN)C1 226755996 344512626 /nfs/dbraw/zinc/51/26/26/344512626.db2.gz BDQKSRSASCQQOZ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]([NH3+])CN1CC[C@@H](C)C1 226761914 344512764 /nfs/dbraw/zinc/51/27/64/344512764.db2.gz YSBDIUUGSYFPPG-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1C[C@@H](N2CCCC2=[NH2+])CCN1C 226878713 344516277 /nfs/dbraw/zinc/51/62/77/344516277.db2.gz VBLYBKSEZWRCSG-UWVGGRQHSA-N 1 3 195.310 1.542 10 0 ADAEHO C[C@H]1C[C@H](C)CCN1C1CC([NH3+])C1 226874894 344516591 /nfs/dbraw/zinc/51/65/91/344516591.db2.gz OATVCPQQGRGSFK-MFQSTILNSA-N 1 3 182.311 1.597 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN(C)[C@@H](C)C1 226896112 344516949 /nfs/dbraw/zinc/51/69/49/344516949.db2.gz JEIWRMZNKJURAM-DTWKUNHWSA-N 1 3 183.299 1.446 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN(C)[C@@H](C)C1 226896119 344516973 /nfs/dbraw/zinc/51/69/73/344516973.db2.gz JEIWRMZNKJURAM-IUCAKERBSA-N 1 3 183.299 1.446 10 0 ADAEHO CC1(C)CCC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 226947033 344517911 /nfs/dbraw/zinc/51/79/11/344517911.db2.gz VEMTWUWIYXODBS-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@@H]1[N@H+]1CC[C@@H](CN)C1 226947033 344517914 /nfs/dbraw/zinc/51/79/14/344517914.db2.gz VEMTWUWIYXODBS-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@H]1[N@@H+]1CC[C@@H](CN)C1 226947042 344518017 /nfs/dbraw/zinc/51/80/17/344518017.db2.gz VEMTWUWIYXODBS-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@H]1[N@H+]1CC[C@@H](CN)C1 226947042 344518020 /nfs/dbraw/zinc/51/80/20/344518020.db2.gz VEMTWUWIYXODBS-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@H+](C)C[C@]1(N)CCC[C@@H](C)C1 226976106 344518270 /nfs/dbraw/zinc/51/82/70/344518270.db2.gz VHOFOJQFEVBSBD-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)C[C@]1(N)CCC[C@@H](C)C1 226976106 344518272 /nfs/dbraw/zinc/51/82/72/344518272.db2.gz VHOFOJQFEVBSBD-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@H+](C)C[C@@]1(N)CCC[C@@H](C)C1 226976100 344518315 /nfs/dbraw/zinc/51/83/15/344518315.db2.gz VHOFOJQFEVBSBD-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+](C)C[C@@]1(N)CCC[C@@H](C)C1 226976100 344518317 /nfs/dbraw/zinc/51/83/17/344518317.db2.gz VHOFOJQFEVBSBD-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CC[C@H]([NH3+])[C@@H](CN(C)C)C1 226980680 344518723 /nfs/dbraw/zinc/51/87/23/344518723.db2.gz YBLCYUZCPUIGBM-BBBLOLIVSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH3+])[C@@H](CN(C)C)C1 226980668 344518750 /nfs/dbraw/zinc/51/87/50/344518750.db2.gz YBLCYUZCPUIGBM-OPRDCNLKSA-N 1 3 170.300 1.312 10 0 ADAEHO [NH3+][C@@H]1CCN(C[C@H]2CC=CCC2)C1 226996929 344518781 /nfs/dbraw/zinc/51/87/81/344518781.db2.gz BEVUZSWIVZXGQQ-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](CN(C)C)C1 226980747 344518784 /nfs/dbraw/zinc/51/87/84/344518784.db2.gz JYJPBJYDKBVBEM-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)C 226980710 344518805 /nfs/dbraw/zinc/51/88/05/344518805.db2.gz OKGMOIWMIMJPQQ-HBNTYKKESA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH3+])[C@@H](CN(C)C)C1 226980763 344518834 /nfs/dbraw/zinc/51/88/34/344518834.db2.gz JYJPBJYDKBVBEM-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)C 226980696 344518875 /nfs/dbraw/zinc/51/88/75/344518875.db2.gz OKGMOIWMIMJPQQ-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@@H](C)C1 227070549 344521055 /nfs/dbraw/zinc/52/10/55/344521055.db2.gz SSHKOVPYPOBNSW-OHINUGQQSA-N 1 3 168.284 1.232 10 0 ADAEHO C/C=C/CN1CC[C@@H]([NH3+])[C@@H](C)C1 227070543 344521078 /nfs/dbraw/zinc/52/10/78/344521078.db2.gz SSHKOVPYPOBNSW-FCVPOFOPSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=CCN1CC[C@@H]([NH3+])[C@@H](C)C1 227069435 344521158 /nfs/dbraw/zinc/52/11/58/344521158.db2.gz PRRQJCGXNBWETH-WDEREUQCSA-N 1 3 182.311 1.622 10 0 ADAEHO C[C@@H](C1CCCC1)[N@@H+]1CC[C@@H](CN)C1 227162090 344524085 /nfs/dbraw/zinc/52/40/85/344524085.db2.gz XYULSIRPMVZEGW-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](C1CCCC1)[N@H+]1CC[C@@H](CN)C1 227162090 344524086 /nfs/dbraw/zinc/52/40/86/344524086.db2.gz XYULSIRPMVZEGW-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](CC[NH3+])N1CCC[C@@H]2CCC[C@@H]21 227159746 344524133 /nfs/dbraw/zinc/52/41/33/344524133.db2.gz BZTQFLYAXWANEE-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)N)C1 227199620 344524939 /nfs/dbraw/zinc/52/49/39/344524939.db2.gz LLATYDIRAMZWFE-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)N)C1 227199620 344524942 /nfs/dbraw/zinc/52/49/42/344524942.db2.gz LLATYDIRAMZWFE-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)N)C1 227201256 344525146 /nfs/dbraw/zinc/52/51/46/344525146.db2.gz CCYTWJAQOFOMDY-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)N)C1 227201256 344525149 /nfs/dbraw/zinc/52/51/49/344525149.db2.gz CCYTWJAQOFOMDY-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C1 227216297 344525389 /nfs/dbraw/zinc/52/53/89/344525389.db2.gz LDACUOZSTQKMOG-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CN)C2)C1 227216340 344525502 /nfs/dbraw/zinc/52/55/02/344525502.db2.gz CTYQLDHEBSYHPY-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](CN)C2)C1 227216340 344525504 /nfs/dbraw/zinc/52/55/04/344525504.db2.gz CTYQLDHEBSYHPY-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](CN)C2)C1 227216326 344525603 /nfs/dbraw/zinc/52/56/03/344525603.db2.gz CTYQLDHEBSYHPY-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H](CN)C2)C1 227216326 344525605 /nfs/dbraw/zinc/52/56/05/344525605.db2.gz CTYQLDHEBSYHPY-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C)C[N@@H+]1CCCNC[C@@H](C)C1 227213326 344525613 /nfs/dbraw/zinc/52/56/13/344525613.db2.gz AQBLYJAZQXUMRW-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)C[N@H+]1CCCNC[C@@H](C)C1 227213326 344525614 /nfs/dbraw/zinc/52/56/14/344525614.db2.gz AQBLYJAZQXUMRW-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1CCCNC[C@@H](C)C1 227213317 344525719 /nfs/dbraw/zinc/52/57/19/344525719.db2.gz AQBLYJAZQXUMRW-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)C[N@H+]1CCCNC[C@@H](C)C1 227213317 344525722 /nfs/dbraw/zinc/52/57/22/344525722.db2.gz AQBLYJAZQXUMRW-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)C1 227216313 344525753 /nfs/dbraw/zinc/52/57/53/344525753.db2.gz LDACUOZSTQKMOG-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CN)C2)C1 227216366 344525771 /nfs/dbraw/zinc/52/57/71/344525771.db2.gz LRCWVLAQDOLIFT-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](CN)C2)C1 227216366 344525774 /nfs/dbraw/zinc/52/57/74/344525774.db2.gz LRCWVLAQDOLIFT-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)C1 227216321 344525833 /nfs/dbraw/zinc/52/58/33/344525833.db2.gz LDACUOZSTQKMOG-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C1 227216304 344525855 /nfs/dbraw/zinc/52/58/55/344525855.db2.gz LDACUOZSTQKMOG-AEJSXWLSSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](CN)C2)C1 227216352 344525866 /nfs/dbraw/zinc/52/58/66/344525866.db2.gz LRCWVLAQDOLIFT-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](CN)C2)C1 227216352 344525868 /nfs/dbraw/zinc/52/58/68/344525868.db2.gz LRCWVLAQDOLIFT-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@@H+]1CC[C@@H](C)C1 227288021 344527208 /nfs/dbraw/zinc/52/72/08/344527208.db2.gz HBAFCCBRZCFVTR-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@H+]1CC[C@@H](C)C1 227288021 344527211 /nfs/dbraw/zinc/52/72/11/344527211.db2.gz HBAFCCBRZCFVTR-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCC[N@H+]1CC(C)(C)[C@H](C)N 227285341 344527318 /nfs/dbraw/zinc/52/73/18/344527318.db2.gz NHVWTHMQNGTQFO-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1CCC[N@@H+]1CC(C)(C)[C@H](C)N 227285341 344527319 /nfs/dbraw/zinc/52/73/19/344527319.db2.gz NHVWTHMQNGTQFO-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)CC[C@H]([N@@H+]2CC[C@@H](CN)C2)C1 227289768 344527645 /nfs/dbraw/zinc/52/76/45/344527645.db2.gz OHUGAZPJKRMVPO-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@H]([N@H+]2CC[C@@H](CN)C2)C1 227289768 344527647 /nfs/dbraw/zinc/52/76/47/344527647.db2.gz OHUGAZPJKRMVPO-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@@H]([N@@H+]2CC[C@@H](CN)C2)C1 227289775 344527969 /nfs/dbraw/zinc/52/79/69/344527969.db2.gz OHUGAZPJKRMVPO-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@@H]([N@H+]2CC[C@@H](CN)C2)C1 227289775 344527972 /nfs/dbraw/zinc/52/79/72/344527972.db2.gz OHUGAZPJKRMVPO-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@H](N2CC[C@@H]([NH3+])C2)C1 227289754 344527991 /nfs/dbraw/zinc/52/79/91/344527991.db2.gz KOHOZLDMFZOSOO-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@@H](N2CC[C@@H]([NH3+])C2)C1 227289760 344528057 /nfs/dbraw/zinc/52/80/57/344528057.db2.gz KOHOZLDMFZOSOO-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C1 227469873 344530863 /nfs/dbraw/zinc/53/08/63/344530863.db2.gz OJKQAEAXMKXARP-VWYCJHECSA-N 1 3 180.295 1.565 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C1 227469880 344531006 /nfs/dbraw/zinc/53/10/06/344531006.db2.gz OJKQAEAXMKXARP-OUAUKWLOSA-N 1 3 180.295 1.565 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CC[C@@H](N)C2)C1 227479058 344531495 /nfs/dbraw/zinc/53/14/95/344531495.db2.gz JGZXNEQAYQTGIH-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CC[C@@H](N)C2)C1 227479058 344531496 /nfs/dbraw/zinc/53/14/96/344531496.db2.gz JGZXNEQAYQTGIH-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CC[C@@H](N)C2)C1 227479049 344531519 /nfs/dbraw/zinc/53/15/19/344531519.db2.gz JGZXNEQAYQTGIH-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CC[C@@H](N)C2)C1 227479049 344531520 /nfs/dbraw/zinc/53/15/20/344531520.db2.gz JGZXNEQAYQTGIH-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CCC[C@@H](N)C2)C1 227477861 344531600 /nfs/dbraw/zinc/53/16/00/344531600.db2.gz WCNOVVPTBLTULI-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CCC[C@@H](N)C2)C1 227477861 344531601 /nfs/dbraw/zinc/53/16/01/344531601.db2.gz WCNOVVPTBLTULI-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CCC[C@@H](N)C2)C1 227477855 344531615 /nfs/dbraw/zinc/53/16/15/344531615.db2.gz WCNOVVPTBLTULI-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CCC[C@@H](N)C2)C1 227477855 344531617 /nfs/dbraw/zinc/53/16/17/344531617.db2.gz WCNOVVPTBLTULI-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CC[C@@H](N)C2)C[C@H]1C 227489033 344532233 /nfs/dbraw/zinc/53/22/33/344532233.db2.gz WSZOXSKBXKZGIV-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([N@@H+]1CC[C@@H](CN)C1)C1(C)CC1 227568916 344535296 /nfs/dbraw/zinc/53/52/96/344535296.db2.gz HWGMETSXLYGSQM-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]([N@H+]1CC[C@@H](CN)C1)C1(C)CC1 227568916 344535299 /nfs/dbraw/zinc/53/52/99/344535299.db2.gz HWGMETSXLYGSQM-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]([N@@H+]1CCC[C@@H](CN)C1)C1(C)CC1 227568873 344535309 /nfs/dbraw/zinc/53/53/09/344535309.db2.gz FMVWRKUTAKEYCN-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]([N@H+]1CCC[C@@H](CN)C1)C1(C)CC1 227568873 344535311 /nfs/dbraw/zinc/53/53/11/344535311.db2.gz FMVWRKUTAKEYCN-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](NC)C2)C1 227667113 344543299 /nfs/dbraw/zinc/54/32/99/344543299.db2.gz PTSRZXYVIAUXQT-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H](NC)C2)C1 227667113 344543303 /nfs/dbraw/zinc/54/33/03/344543303.db2.gz PTSRZXYVIAUXQT-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)C2)C1 227665813 344543352 /nfs/dbraw/zinc/54/33/52/344543352.db2.gz WRPACKFSELNVQQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)C2)C1 227665813 344543354 /nfs/dbraw/zinc/54/33/54/344543354.db2.gz WRPACKFSELNVQQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](NC)C2)C1 227667101 344543422 /nfs/dbraw/zinc/54/34/22/344543422.db2.gz PTSRZXYVIAUXQT-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](NC)C2)C1 227667101 344543424 /nfs/dbraw/zinc/54/34/24/344543424.db2.gz PTSRZXYVIAUXQT-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@H+]2CCC[C@H]2C)C1 227937855 344551192 /nfs/dbraw/zinc/55/11/92/344551192.db2.gz IJIIMZHUCBOADZ-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@@H+]2CCC[C@H]2C)C1 227937855 344551194 /nfs/dbraw/zinc/55/11/94/344551194.db2.gz IJIIMZHUCBOADZ-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@@H+]2CC[C@@H](C)C2)C1 227937962 344551254 /nfs/dbraw/zinc/55/12/54/344551254.db2.gz APOQNLVRAKYUKQ-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@H+]2CC[C@@H](C)C2)C1 227937962 344551256 /nfs/dbraw/zinc/55/12/56/344551256.db2.gz APOQNLVRAKYUKQ-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@@H+]2CC[C@H](C)C2)C1 227937970 344551284 /nfs/dbraw/zinc/55/12/84/344551284.db2.gz APOQNLVRAKYUKQ-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@@H]([N@H+]2CC[C@H](C)C2)C1 227937970 344551287 /nfs/dbraw/zinc/55/12/87/344551287.db2.gz APOQNLVRAKYUKQ-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCCN2)C1 227955048 344552262 /nfs/dbraw/zinc/55/22/62/344552262.db2.gz HIDOLGOYUUQCJG-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCCN2)C1 227955048 344552264 /nfs/dbraw/zinc/55/22/64/344552264.db2.gz HIDOLGOYUUQCJG-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@H+](C[C@@]2(C)CCCCN2)C1 227955058 344552340 /nfs/dbraw/zinc/55/23/40/344552340.db2.gz HIDOLGOYUUQCJG-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@@H+](C[C@@]2(C)CCCCN2)C1 227955058 344552341 /nfs/dbraw/zinc/55/23/41/344552341.db2.gz HIDOLGOYUUQCJG-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@@H]2CCCC[C@H]21 227969565 344553273 /nfs/dbraw/zinc/55/32/73/344553273.db2.gz XJCSHBWHUVSWEC-SDDRHHMPSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@@H]2CCCC[C@H]21 227969565 344553276 /nfs/dbraw/zinc/55/32/76/344553276.db2.gz XJCSHBWHUVSWEC-SDDRHHMPSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+][C@@H](C)CN1CC[C@@H]2CCCC[C@H]21 227967635 344553381 /nfs/dbraw/zinc/55/33/81/344553381.db2.gz FPRWPBDHOFXTDC-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CC[C@@H]2CCCC[C@H]21 227967635 344553384 /nfs/dbraw/zinc/55/33/84/344553384.db2.gz FPRWPBDHOFXTDC-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)CC[N@H+]2[C@H]1CCNC1 227980224 344553961 /nfs/dbraw/zinc/55/39/61/344553961.db2.gz QDGRMZIXGUXBOC-SDDRHHMPSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2[C@H]1CCNC1 227980224 344553964 /nfs/dbraw/zinc/55/39/64/344553964.db2.gz QDGRMZIXGUXBOC-SDDRHHMPSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)CCN2[C@H]1CC[NH2+]C1 227980224 344553966 /nfs/dbraw/zinc/55/39/66/344553966.db2.gz QDGRMZIXGUXBOC-SDDRHHMPSA-N 1 3 194.322 1.613 10 0 ADAEHO CNCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 228008719 344554391 /nfs/dbraw/zinc/55/43/91/344554391.db2.gz ODVQGMWARKIRAA-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC[N@H+]1CCC[C@@H]2CCC[C@H]21 228008719 344554392 /nfs/dbraw/zinc/55/43/92/344554392.db2.gz ODVQGMWARKIRAA-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC[N@@H+]1CCC[C@H]2CCC[C@H]21 228008730 344554441 /nfs/dbraw/zinc/55/44/41/344554441.db2.gz ODVQGMWARKIRAA-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CNCC[N@H+]1CCC[C@H]2CCC[C@H]21 228008730 344554443 /nfs/dbraw/zinc/55/44/43/344554443.db2.gz ODVQGMWARKIRAA-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H](CC[NH3+])N1CCC[C@@H]2CCC[C@H]21 227996729 344554581 /nfs/dbraw/zinc/55/45/81/344554581.db2.gz BZTQFLYAXWANEE-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228005525 344554816 /nfs/dbraw/zinc/55/48/16/344554816.db2.gz INFOFSRVSWOXFA-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1CCC[C@@H]2CCC[C@H]21 228005525 344554819 /nfs/dbraw/zinc/55/48/19/344554819.db2.gz INFOFSRVSWOXFA-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CCC[C@H]2CCC[C@H]21 228085130 344557386 /nfs/dbraw/zinc/55/73/86/344557386.db2.gz INFOFSRVSWOXFA-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1CCC[C@H]2CCC[C@H]21 228085130 344557387 /nfs/dbraw/zinc/55/73/87/344557387.db2.gz INFOFSRVSWOXFA-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO [NH3+][C@@H]1CCN([C@H]2CC=CCC2)C1 228118805 344557756 /nfs/dbraw/zinc/55/77/56/344557756.db2.gz QTYKJLFCAZWVEX-ZJUUUORDSA-N 1 3 166.268 1.128 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](N)C2)C1 228162868 344558605 /nfs/dbraw/zinc/55/86/05/344558605.db2.gz XBOPPEGAFNXINB-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](N)C2)C1 228162868 344558608 /nfs/dbraw/zinc/55/86/08/344558608.db2.gz XBOPPEGAFNXINB-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](N)C2)C1 228206926 344559379 /nfs/dbraw/zinc/55/93/79/344559379.db2.gz LJFHHPIFFJBOBU-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](N)C2)C1 228206926 344559382 /nfs/dbraw/zinc/55/93/82/344559382.db2.gz LJFHHPIFFJBOBU-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CNC2)[C@@H](C)C1 228598490 344564140 /nfs/dbraw/zinc/56/41/40/344564140.db2.gz UWEFAVGZQVVLFQ-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CNC2)[C@@H](C)C1 228598490 344564143 /nfs/dbraw/zinc/56/41/43/344564143.db2.gz UWEFAVGZQVVLFQ-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCN(CC2C[NH2+]C2)[C@@H](C)C1 228598490 344564145 /nfs/dbraw/zinc/56/41/45/344564145.db2.gz UWEFAVGZQVVLFQ-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 228602859 344564218 /nfs/dbraw/zinc/56/42/18/344564218.db2.gz OTDXPIWYDLBLBC-KXNHARMFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 228602859 344564219 /nfs/dbraw/zinc/56/42/19/344564219.db2.gz OTDXPIWYDLBLBC-KXNHARMFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)[C@@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 228602849 344564250 /nfs/dbraw/zinc/56/42/50/344564250.db2.gz OTDXPIWYDLBLBC-FIQHERPVSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)[C@@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 228602849 344564252 /nfs/dbraw/zinc/56/42/52/344564252.db2.gz OTDXPIWYDLBLBC-FIQHERPVSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)=CCN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 228594322 344564326 /nfs/dbraw/zinc/56/43/26/344564326.db2.gz CBUUNHSKEFHPIN-SDDRHHMPSA-N 1 3 194.322 1.492 10 0 ADAEHO C[C@H]1C[C@H](C)CC[N@@H+]1CC1CNC1 228598482 344564458 /nfs/dbraw/zinc/56/44/58/344564458.db2.gz UWEFAVGZQVVLFQ-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H](C)CC[N@H+]1CC1CNC1 228598482 344564461 /nfs/dbraw/zinc/56/44/61/344564461.db2.gz UWEFAVGZQVVLFQ-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H](C)CCN1CC1C[NH2+]C1 228598482 344564465 /nfs/dbraw/zinc/56/44/65/344564465.db2.gz UWEFAVGZQVVLFQ-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO N[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 228760051 344567819 /nfs/dbraw/zinc/56/78/19/344567819.db2.gz KICQNKBOOROUKJ-MNOVXSKESA-N 1 3 180.295 1.518 10 0 ADAEHO N[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 228760051 344567820 /nfs/dbraw/zinc/56/78/20/344567820.db2.gz KICQNKBOOROUKJ-MNOVXSKESA-N 1 3 180.295 1.518 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 228760119 344567906 /nfs/dbraw/zinc/56/79/06/344567906.db2.gz OSIUYEFBFYKWHG-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 228760119 344567908 /nfs/dbraw/zinc/56/79/08/344567908.db2.gz OSIUYEFBFYKWHG-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+]C[C@@H]1CCN([C@H]2C=CCCC2)C1 228760119 344567909 /nfs/dbraw/zinc/56/79/09/344567909.db2.gz OSIUYEFBFYKWHG-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+]C[C@@H]1CCCN([C@H]2C=CCCC2)C1 228760081 344567974 /nfs/dbraw/zinc/56/79/74/344567974.db2.gz HIGBAPIMDPFRCP-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO NC[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 228760081 344567975 /nfs/dbraw/zinc/56/79/75/344567975.db2.gz HIGBAPIMDPFRCP-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO NC[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 228760081 344567976 /nfs/dbraw/zinc/56/79/76/344567976.db2.gz HIGBAPIMDPFRCP-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO CCC(C)(C)CN1CCC([NH3+])CC1 228780051 344568587 /nfs/dbraw/zinc/56/85/87/344568587.db2.gz HLWPXYXWXYOKLQ-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC(C)(C)C[NH+]1CCC(N)CC1 228780051 344568588 /nfs/dbraw/zinc/56/85/88/344568588.db2.gz HLWPXYXWXYOKLQ-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC=CC2)C[C@@H]1C 228777704 344568711 /nfs/dbraw/zinc/56/87/11/344568711.db2.gz ARZSEYQKXFDIOW-CMPLNLGQSA-N 1 3 194.322 1.635 10 0 ADAEHO CC(C)=CCNC1CC([NH3+])C1 228848969 344570840 /nfs/dbraw/zinc/57/08/40/344570840.db2.gz BALNXQNUCDAOTI-UHFFFAOYSA-N 1 3 154.257 1.032 10 0 ADAEHO C[C@@H]1CN(C2(C)CC2)CC[C@@H]1[NH3+] 228867231 344571553 /nfs/dbraw/zinc/57/15/53/344571553.db2.gz GRFYEDWQGDCPAY-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+][C@H]1CCN(C2(C)CC2)[C@@H](C)C1 228867119 344571596 /nfs/dbraw/zinc/57/15/96/344571596.db2.gz RNQUCBWJMGNJRN-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](C2(C)CC2)[C@@H]1C 228867493 344571603 /nfs/dbraw/zinc/57/16/03/344571603.db2.gz ZPRQAQWZHLXHHK-AEJSXWLSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](C2(C)CC2)[C@@H]1C 228867493 344571605 /nfs/dbraw/zinc/57/16/05/344571605.db2.gz ZPRQAQWZHLXHHK-AEJSXWLSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN(C2(C)CC2)[C@@H]1C 228867493 344571607 /nfs/dbraw/zinc/57/16/07/344571607.db2.gz ZPRQAQWZHLXHHK-AEJSXWLSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2(C)CC2)[C@@H](C)C1 228867107 344571704 /nfs/dbraw/zinc/57/17/04/344571704.db2.gz RNQUCBWJMGNJRN-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CN(C2(C)CC2)CC[C@@H]1[NH3+] 228867243 344571769 /nfs/dbraw/zinc/57/17/69/344571769.db2.gz GRFYEDWQGDCPAY-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(N2CCC([NH3+])CC2)CCC1 228868317 344572041 /nfs/dbraw/zinc/57/20/41/344572041.db2.gz BJBYDLJURIEIRK-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1(C)CCC1 228868548 344572049 /nfs/dbraw/zinc/57/20/49/344572049.db2.gz NDHNVFNZAOXCMN-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1(C)CCC1 228868548 344572050 /nfs/dbraw/zinc/57/20/50/344572050.db2.gz NDHNVFNZAOXCMN-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1C1(C)CCC1 228868548 344572053 /nfs/dbraw/zinc/57/20/53/344572053.db2.gz NDHNVFNZAOXCMN-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1(C)CCC1 228868518 344572061 /nfs/dbraw/zinc/57/20/61/344572061.db2.gz NDHNVFNZAOXCMN-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1(C)CCC1 228868518 344572063 /nfs/dbraw/zinc/57/20/63/344572063.db2.gz NDHNVFNZAOXCMN-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1C1(C)CCC1 228868518 344572066 /nfs/dbraw/zinc/57/20/66/344572066.db2.gz NDHNVFNZAOXCMN-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[NH2+][C@H]1CCN(C2(C)CC2)C[C@@H]1C 228867698 344572084 /nfs/dbraw/zinc/57/20/84/344572084.db2.gz WLMVXPYJFHZYMI-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C1(C)CC1 228867719 344572118 /nfs/dbraw/zinc/57/21/18/344572118.db2.gz LBQUVDKCGPMHFU-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1(C)CC1 228867719 344572120 /nfs/dbraw/zinc/57/21/20/344572120.db2.gz LBQUVDKCGPMHFU-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1(C)CC1 228867719 344572123 /nfs/dbraw/zinc/57/21/23/344572123.db2.gz LBQUVDKCGPMHFU-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1C1(C)CC1 228867514 344572198 /nfs/dbraw/zinc/57/21/98/344572198.db2.gz ZPRQAQWZHLXHHK-GUBZILKMSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1C1(C)CC1 228867514 344572200 /nfs/dbraw/zinc/57/22/00/344572200.db2.gz ZPRQAQWZHLXHHK-GUBZILKMSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1C1(C)CC1 228867514 344572202 /nfs/dbraw/zinc/57/22/02/344572202.db2.gz ZPRQAQWZHLXHHK-GUBZILKMSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C1(C)CC1 228867737 344572216 /nfs/dbraw/zinc/57/22/16/344572216.db2.gz LBQUVDKCGPMHFU-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1(C)CC1 228867737 344572219 /nfs/dbraw/zinc/57/22/19/344572219.db2.gz LBQUVDKCGPMHFU-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1C1(C)CC1 228867724 344572244 /nfs/dbraw/zinc/57/22/44/344572244.db2.gz LBQUVDKCGPMHFU-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1(C)CC1 228867724 344572249 /nfs/dbraw/zinc/57/22/49/344572249.db2.gz LBQUVDKCGPMHFU-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO CC1([N@@H+]2CC[C@H](CN)C2)CCC1 228868920 344572260 /nfs/dbraw/zinc/57/22/60/344572260.db2.gz JFTOKZPDFDSJCI-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC1([N@H+]2CC[C@H](CN)C2)CCC1 228868920 344572262 /nfs/dbraw/zinc/57/22/62/344572262.db2.gz JFTOKZPDFDSJCI-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1C1(C)CC1 228867746 344572269 /nfs/dbraw/zinc/57/22/69/344572269.db2.gz LBQUVDKCGPMHFU-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1(C)CC1 228867746 344572270 /nfs/dbraw/zinc/57/22/70/344572270.db2.gz LBQUVDKCGPMHFU-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1(C)CC1 228867746 344572273 /nfs/dbraw/zinc/57/22/73/344572273.db2.gz LBQUVDKCGPMHFU-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[N@@H+](C2(C)CCC2)CC[C@@H]1N 228868013 344572284 /nfs/dbraw/zinc/57/22/84/344572284.db2.gz IBVSMLJFJYBKJH-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+](C2(C)CCC2)CC[C@@H]1N 228868013 344572285 /nfs/dbraw/zinc/57/22/85/344572285.db2.gz IBVSMLJFJYBKJH-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C2(C)CCC2)CC[C@@H]1[NH3+] 228868013 344572288 /nfs/dbraw/zinc/57/22/88/344572288.db2.gz IBVSMLJFJYBKJH-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1(C)CCC1 228868504 344572328 /nfs/dbraw/zinc/57/23/28/344572328.db2.gz NDHNVFNZAOXCMN-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1(C)CCC1 228868504 344572329 /nfs/dbraw/zinc/57/23/29/344572329.db2.gz NDHNVFNZAOXCMN-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C1(C)CCC1 228868504 344572331 /nfs/dbraw/zinc/57/23/31/344572331.db2.gz NDHNVFNZAOXCMN-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2(C)CC2)C[C@@H]1C 228867690 344572357 /nfs/dbraw/zinc/57/23/57/344572357.db2.gz WLMVXPYJFHZYMI-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1(C)CCC1 228868535 344572389 /nfs/dbraw/zinc/57/23/89/344572389.db2.gz NDHNVFNZAOXCMN-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1(C)CCC1 228868535 344572391 /nfs/dbraw/zinc/57/23/91/344572391.db2.gz NDHNVFNZAOXCMN-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C1(C)CCC1 228868535 344572394 /nfs/dbraw/zinc/57/23/94/344572394.db2.gz NDHNVFNZAOXCMN-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[NH2+]C1CCN(C2(C)CCC2)CC1 228867758 344572424 /nfs/dbraw/zinc/57/24/24/344572424.db2.gz XPKQCPVXLRVYDG-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CNC1CC[NH+](C2(C)CCC2)CC1 228867758 344572426 /nfs/dbraw/zinc/57/24/26/344572426.db2.gz XPKQCPVXLRVYDG-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1C[N@@H+](C2(C)CCC2)CC[C@@H]1N 228868022 344572503 /nfs/dbraw/zinc/57/25/03/344572503.db2.gz IBVSMLJFJYBKJH-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[N@H+](C2(C)CCC2)CC[C@@H]1N 228868022 344572504 /nfs/dbraw/zinc/57/25/04/344572504.db2.gz IBVSMLJFJYBKJH-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CN(C2(C)CCC2)CC[C@@H]1[NH3+] 228868022 344572507 /nfs/dbraw/zinc/57/25/07/344572507.db2.gz IBVSMLJFJYBKJH-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1([N@@H+]2CC[C@@H](CN)C2)CCC1 228868908 344572555 /nfs/dbraw/zinc/57/25/55/344572555.db2.gz JFTOKZPDFDSJCI-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CC1([N@H+]2CC[C@@H](CN)C2)CCC1 228868908 344572556 /nfs/dbraw/zinc/57/25/56/344572556.db2.gz JFTOKZPDFDSJCI-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CC1([NH2+]C[C@@]2(C)CCC[C@H]2N)CC1 228873756 344572754 /nfs/dbraw/zinc/57/27/54/344572754.db2.gz ZZXLEJJLZNBRIB-NXEZZACHSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(NC[C@@]2(C)CCC[C@H]2[NH3+])CC1 228873756 344572756 /nfs/dbraw/zinc/57/27/56/344572756.db2.gz ZZXLEJJLZNBRIB-NXEZZACHSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1([NH2+]C[C@]2(C)CCC[C@@H]2N)CC1 228873747 344572842 /nfs/dbraw/zinc/57/28/42/344572842.db2.gz ZZXLEJJLZNBRIB-UWVGGRQHSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(NC[C@]2(C)CCC[C@@H]2[NH3+])CC1 228873747 344572843 /nfs/dbraw/zinc/57/28/43/344572843.db2.gz ZZXLEJJLZNBRIB-UWVGGRQHSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1([NH2+]C[C@@]2(C)CCC[C@@H]2N)CC1 228873734 344572867 /nfs/dbraw/zinc/57/28/67/344572867.db2.gz ZZXLEJJLZNBRIB-VHSXEESVSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(NC[C@@]2(C)CCC[C@@H]2[NH3+])CC1 228873734 344572869 /nfs/dbraw/zinc/57/28/69/344572869.db2.gz ZZXLEJJLZNBRIB-VHSXEESVSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1([NH2+]C[C@]2(C)CCC[C@H]2N)CC1 228873769 344572888 /nfs/dbraw/zinc/57/28/88/344572888.db2.gz ZZXLEJJLZNBRIB-ZJUUUORDSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(NC[C@]2(C)CCC[C@H]2[NH3+])CC1 228873769 344572890 /nfs/dbraw/zinc/57/28/90/344572890.db2.gz ZZXLEJJLZNBRIB-ZJUUUORDSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(NCC2([NH3+])CCC2)CC1 228876485 344572949 /nfs/dbraw/zinc/57/29/49/344572949.db2.gz DFXCJYZUGHIADJ-UHFFFAOYSA-N 1 3 154.257 1.010 10 0 ADAEHO CC1(NCC2([NH3+])CCCC2)CC1 228874710 344573026 /nfs/dbraw/zinc/57/30/26/344573026.db2.gz NZAHHRKTHMKWIZ-UHFFFAOYSA-N 1 3 168.284 1.400 10 0 ADAEHO CC(C)([NH3+])CNC1(C)CCC1 228881235 344573055 /nfs/dbraw/zinc/57/30/55/344573055.db2.gz HXPOCNUYXDUCJX-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC1(N2CCC[NH2+]CCC2)CC1 228916517 344574971 /nfs/dbraw/zinc/57/49/71/344574971.db2.gz CTVUROHBIGCOAI-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO CC1([NH+]2CCCNCCC2)CC1 228916517 344574973 /nfs/dbraw/zinc/57/49/73/344574973.db2.gz CTVUROHBIGCOAI-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](N)C2)C1 228910137 344575022 /nfs/dbraw/zinc/57/50/22/344575022.db2.gz CATWCXNAFPVHAK-CHWFTXMASA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@H]1CC[N@@H+](C2(C)CC2)CCN1 228916546 344575090 /nfs/dbraw/zinc/57/50/90/344575090.db2.gz UUGRGYDEISDCAM-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H]1CC[N@H+](C2(C)CC2)CCN1 228916546 344575091 /nfs/dbraw/zinc/57/50/91/344575091.db2.gz UUGRGYDEISDCAM-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C2(C)CC2)CCN1 228916532 344575118 /nfs/dbraw/zinc/57/51/18/344575118.db2.gz UUGRGYDEISDCAM-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1CC[N@H+](C2(C)CC2)CCN1 228916532 344575119 /nfs/dbraw/zinc/57/51/19/344575119.db2.gz UUGRGYDEISDCAM-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1([NH+]2CCCNCCC2)CCC1 228916872 344575177 /nfs/dbraw/zinc/57/51/77/344575177.db2.gz BCKVNLYUWCWVCW-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CC[C@@H]1CN(C2(C)CC2)CCC[NH2+]1 228931436 344576251 /nfs/dbraw/zinc/57/62/51/344576251.db2.gz FNFQAOWHHMJOFA-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1C[N@@H+](C2(C)CC2)CCCN1 228931436 344576254 /nfs/dbraw/zinc/57/62/54/344576254.db2.gz FNFQAOWHHMJOFA-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1C[N@H+](C2(C)CC2)CCCN1 228931436 344576256 /nfs/dbraw/zinc/57/62/56/344576256.db2.gz FNFQAOWHHMJOFA-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CN(C2(C)CC2)CCC[NH2+]1 228931580 344576291 /nfs/dbraw/zinc/57/62/91/344576291.db2.gz HYULSRYBOZCYRC-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CN(C2(C)CC2)CCC[NH2+]1 228931592 344576316 /nfs/dbraw/zinc/57/63/16/344576316.db2.gz HYULSRYBOZCYRC-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC[C@H]1CN(C2(C)CC2)CCC[NH2+]1 228931452 344576380 /nfs/dbraw/zinc/57/63/80/344576380.db2.gz FNFQAOWHHMJOFA-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H]1C[N@@H+](C2(C)CC2)CCCN1 228931452 344576383 /nfs/dbraw/zinc/57/63/83/344576383.db2.gz FNFQAOWHHMJOFA-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H]1C[N@H+](C2(C)CC2)CCCN1 228931452 344576385 /nfs/dbraw/zinc/57/63/85/344576385.db2.gz FNFQAOWHHMJOFA-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCN(C[C@@H]([NH3+])C2CCCC2)C1 228945561 344576737 /nfs/dbraw/zinc/57/67/37/344576737.db2.gz RQMYJBRUFXYUEW-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCN(C[C@@H]([NH3+])C2CCCC2)C1 228945547 344577002 /nfs/dbraw/zinc/57/70/02/344577002.db2.gz RQMYJBRUFXYUEW-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]2)C1 228977285 344578397 /nfs/dbraw/zinc/57/83/97/344578397.db2.gz YORCAPOOEMRSFH-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCCN2)C1 228977285 344578399 /nfs/dbraw/zinc/57/83/99/344578399.db2.gz YORCAPOOEMRSFH-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC(C)C2)C[C@@H]1C 228979594 344578422 /nfs/dbraw/zinc/57/84/22/344578422.db2.gz DTJLPYCOPUUCLI-POSLAHMBSA-N 1 3 196.338 1.715 10 0 ADAEHO CC1CC([N@@H+]2CC[C@@H](N)[C@@H](C)C2)C1 228979388 344578437 /nfs/dbraw/zinc/57/84/37/344578437.db2.gz PRFSPTSYEHAVCL-QONHTCSSSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@H+]2CC[C@@H](N)[C@@H](C)C2)C1 228979388 344578439 /nfs/dbraw/zinc/57/84/39/344578439.db2.gz PRFSPTSYEHAVCL-QONHTCSSSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC(N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 228979388 344578440 /nfs/dbraw/zinc/57/84/40/344578440.db2.gz PRFSPTSYEHAVCL-QONHTCSSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@H](NC[C@@]2(C)CCC[NH2+]2)C1 228977260 344578495 /nfs/dbraw/zinc/57/84/95/344578495.db2.gz YORCAPOOEMRSFH-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCN2)C1 228977260 344578496 /nfs/dbraw/zinc/57/84/96/344578496.db2.gz YORCAPOOEMRSFH-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H]1CCN(C2CC(C)C2)C[C@@H]1C 228979609 344578560 /nfs/dbraw/zinc/57/85/60/344578560.db2.gz DTJLPYCOPUUCLI-ADPBJBESSA-N 1 3 196.338 1.715 10 0 ADAEHO C/C=C/CN1CC[C@H](C)[C@@H](C[NH3+])C1 229084239 344581479 /nfs/dbraw/zinc/58/14/79/344581479.db2.gz HWTCOSUCFVLRBG-SEUFLZDSSA-N 1 3 182.311 1.479 10 0 ADAEHO Cc1cc(C[NH3+])ccc1CN(C)C 229126606 344583160 /nfs/dbraw/zinc/58/31/60/344583160.db2.gz OQDFRXHTJOMRDI-UHFFFAOYSA-N 1 3 178.279 1.515 10 0 ADAEHO Cc1cc(C(N)=[NH2+])ccc1CN(C)C 229170431 344584793 /nfs/dbraw/zinc/58/47/93/344584793.db2.gz IXKFHCBQYAQBJZ-UHFFFAOYSA-N 1 3 191.278 1.341 10 0 ADAEHO CSCCCC[NH2+][C@@H]1CCNC1 229209315 344585857 /nfs/dbraw/zinc/58/58/57/344585857.db2.gz LPSQNSLVEGZUPX-SECBINFHSA-N 1 3 188.340 1.081 10 0 ADAEHO CSCCCC[NH2+][C@H]1CCNC1 229209326 344585867 /nfs/dbraw/zinc/58/58/67/344585867.db2.gz LPSQNSLVEGZUPX-VIFPVBQESA-N 1 3 188.340 1.081 10 0 ADAEHO C1C[C@@H]2CN([C@H]3CC[NH2+]C3)C[C@@H]2C1 229249290 344587782 /nfs/dbraw/zinc/58/77/82/344587782.db2.gz XIYLKSGUKJQSBM-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2C[N@H+]([C@H]3CCNC3)C[C@@H]2C1 229249290 344587784 /nfs/dbraw/zinc/58/77/84/344587784.db2.gz XIYLKSGUKJQSBM-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2C[N@@H+]([C@H]3CCNC3)C[C@@H]2C1 229249290 344587785 /nfs/dbraw/zinc/58/77/85/344587785.db2.gz XIYLKSGUKJQSBM-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+](CCCN)[C@@H]1C 229368252 344593162 /nfs/dbraw/zinc/59/31/62/344593162.db2.gz BNRKBFSREWYTJW-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+](CCCN)[C@@H]1C 229368252 344593164 /nfs/dbraw/zinc/59/31/64/344593164.db2.gz BNRKBFSREWYTJW-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC1([NH+]2CCC(N)CC2)CCC1 229500776 344598806 /nfs/dbraw/zinc/59/88/06/344598806.db2.gz AQNRZEOEHIYTJT-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CCC1(N2CC[C@H]([NH3+])C2)CCC1 229500648 344598831 /nfs/dbraw/zinc/59/88/31/344598831.db2.gz RSFAHLIXVUDWCX-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CCC1(N2CC[C@@H]([NH3+])C2)CCC1 229500635 344598881 /nfs/dbraw/zinc/59/88/81/344598881.db2.gz RSFAHLIXVUDWCX-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CCC1([N@@H+]2CC[C@@H](CN)C2)CCC1 229501399 344598890 /nfs/dbraw/zinc/59/88/90/344598890.db2.gz AKUFFYMFRZLOEP-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CCC1([N@H+]2CC[C@@H](CN)C2)CCC1 229501399 344598892 /nfs/dbraw/zinc/59/88/92/344598892.db2.gz AKUFFYMFRZLOEP-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CCC1([N@@H+]2CC[C@H](CN)C2)CCC1 229501411 344598918 /nfs/dbraw/zinc/59/89/18/344598918.db2.gz AKUFFYMFRZLOEP-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC1([N@H+]2CC[C@H](CN)C2)CCC1 229501411 344598919 /nfs/dbraw/zinc/59/89/19/344598919.db2.gz AKUFFYMFRZLOEP-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC1(N2CCC[NH2+]CC2)CCC1 229541786 344601764 /nfs/dbraw/zinc/60/17/64/344601764.db2.gz YTJWIYXEMGXFLL-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO C[C@@H]1CN(C)CC[C@@H]1N1CCCC1=[NH2+] 229631186 344608181 /nfs/dbraw/zinc/60/81/81/344608181.db2.gz PWBPHIMRYWCDFR-ZJUUUORDSA-N 1 3 195.310 1.400 10 0 ADAEHO C[C@H]1CN(C)CC[C@@H]1N1CCCC1=[NH2+] 229631199 344608338 /nfs/dbraw/zinc/60/83/38/344608338.db2.gz PWBPHIMRYWCDFR-UWVGGRQHSA-N 1 3 195.310 1.400 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN(C)C[C@@H]1C 229670828 344610617 /nfs/dbraw/zinc/61/06/17/344610617.db2.gz SKIUGIKJDCHJKX-IUCAKERBSA-N 1 3 183.299 1.303 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN(C)C[C@@H]1C 229670818 344610625 /nfs/dbraw/zinc/61/06/25/344610625.db2.gz SKIUGIKJDCHJKX-DTWKUNHWSA-N 1 3 183.299 1.303 10 0 ADAEHO C[NH2+]C[C@H]1CCN([C@@H]2C=CCCC2)C1 230362053 344631855 /nfs/dbraw/zinc/63/18/55/344631855.db2.gz WHEKWDFDBKGLFL-VXGBXAGGSA-N 1 3 194.322 1.636 10 0 ADAEHO C[NH2+]C[C@@H]1CCN([C@@H]2C=CCCC2)C1 230362049 344631864 /nfs/dbraw/zinc/63/18/64/344631864.db2.gz WHEKWDFDBKGLFL-NWDGAFQWSA-N 1 3 194.322 1.636 10 0 ADAEHO [NH3+]C[C@@H]1CCCN([C@@H]2C=CCCC2)C1 230361959 344631970 /nfs/dbraw/zinc/63/19/70/344631970.db2.gz HIGBAPIMDPFRCP-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO NC[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 230361959 344631972 /nfs/dbraw/zinc/63/19/72/344631972.db2.gz HIGBAPIMDPFRCP-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO NC[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 230361959 344631974 /nfs/dbraw/zinc/63/19/74/344631974.db2.gz HIGBAPIMDPFRCP-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1[C@@H]1C=CCCC1 230362600 344632195 /nfs/dbraw/zinc/63/21/95/344632195.db2.gz ZYXYDTYCPSJXPY-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1[C@@H]1C=CCCC1 230362600 344632197 /nfs/dbraw/zinc/63/21/97/344632197.db2.gz ZYXYDTYCPSJXPY-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@@H+]([C@@H]2C=CCCC2)C1 230362482 344632250 /nfs/dbraw/zinc/63/22/50/344632250.db2.gz KALXITBGRMWESM-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@H+]([C@@H]2C=CCCC2)C1 230362482 344632251 /nfs/dbraw/zinc/63/22/51/344632251.db2.gz KALXITBGRMWESM-IJLUTSLNSA-N 1 3 194.322 1.764 10 0 ADAEHO N[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 230361953 344632292 /nfs/dbraw/zinc/63/22/92/344632292.db2.gz KICQNKBOOROUKJ-GHMZBOCLSA-N 1 3 180.295 1.518 10 0 ADAEHO N[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 230361953 344632295 /nfs/dbraw/zinc/63/22/95/344632295.db2.gz KICQNKBOOROUKJ-GHMZBOCLSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@@H]2C=CCCC2)C1 230362488 344632399 /nfs/dbraw/zinc/63/23/99/344632399.db2.gz KALXITBGRMWESM-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@@H]2C=CCCC2)C1 230362488 344632401 /nfs/dbraw/zinc/63/24/01/344632401.db2.gz KALXITBGRMWESM-GRYCIOLGSA-N 1 3 194.322 1.764 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH2+]C2CCNCC2)C1 230413424 344635588 /nfs/dbraw/zinc/63/55/88/344635588.db2.gz OEUSDOBRRDJDAE-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH2+]C2CC(N)C2)C1 230403776 344634895 /nfs/dbraw/zinc/63/48/95/344634895.db2.gz FMDPBPFEDMBHGW-MFQSTILNSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]1CC[C@H](C[NH2+]C2CC(N)C2)C1 230403778 344634983 /nfs/dbraw/zinc/63/49/83/344634983.db2.gz FMDPBPFEDMBHGW-SAAXCQNUSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]1CC[C@@H](C[NH2+]C2CC(N)C2)C1 230403773 344635215 /nfs/dbraw/zinc/63/52/15/344635215.db2.gz FMDPBPFEDMBHGW-IZUQBHJASA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH2+]C2CCNCC2)C1 230413419 344635243 /nfs/dbraw/zinc/63/52/43/344635243.db2.gz OEUSDOBRRDJDAE-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH2+]C2CC(N)C2)C1 230403770 344635258 /nfs/dbraw/zinc/63/52/58/344635258.db2.gz FMDPBPFEDMBHGW-NKVNRFPTSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]1CC[C@H](C[NH2+]C2CCNCC2)C1 230413428 344635688 /nfs/dbraw/zinc/63/56/88/344635688.db2.gz OEUSDOBRRDJDAE-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](CN)C2)C1 230428313 344635923 /nfs/dbraw/zinc/63/59/23/344635923.db2.gz HTWPQESQBWSIFV-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](CN)C2)C1 230428313 344635924 /nfs/dbraw/zinc/63/59/24/344635924.db2.gz HTWPQESQBWSIFV-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 230427441 344636015 /nfs/dbraw/zinc/63/60/15/344636015.db2.gz FHTLMYJNDICGLB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)C1 230427448 344636084 /nfs/dbraw/zinc/63/60/84/344636084.db2.gz FHTLMYJNDICGLB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CN)C2)C1 230428318 344636287 /nfs/dbraw/zinc/63/62/87/344636287.db2.gz HTWPQESQBWSIFV-WOPDTQHZSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CN)C2)C1 230428318 344636289 /nfs/dbraw/zinc/63/62/89/344636289.db2.gz HTWPQESQBWSIFV-WOPDTQHZSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCNCC1 230666466 344638584 /nfs/dbraw/zinc/63/85/84/344638584.db2.gz GQNUMAHDHHBZGJ-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCC[C@H]1C[NH2+]C1CCNCC1 230666473 344638742 /nfs/dbraw/zinc/63/87/42/344638742.db2.gz GQNUMAHDHHBZGJ-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCC[C@H]1CN1CC[C@@H]([NH3+])C1 230686129 344639506 /nfs/dbraw/zinc/63/95/06/344639506.db2.gz AVSPBSDTAIMTTL-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H]1CN1CC[C@@H]([NH3+])C1 230686124 344639576 /nfs/dbraw/zinc/63/95/76/344639576.db2.gz AVSPBSDTAIMTTL-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@]1(Nc2ccncc2)CC[NH2+]C1 230748468 344641943 /nfs/dbraw/zinc/64/19/43/344641943.db2.gz CSNUOZKCQDTVLV-SNVBAGLBSA-N 1 3 177.251 1.246 10 0 ADAEHO CC[C@H](C)[NH2+][C@]1(C)CCNC1 230740226 344641973 /nfs/dbraw/zinc/64/19/73/344641973.db2.gz HXJBPNBFXUEOPL-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@@H](C)[NH2+][C@]1(C)CCNC1 230740224 344641992 /nfs/dbraw/zinc/64/19/92/344641992.db2.gz HXJBPNBFXUEOPL-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@]1([NH2+]C2CCCC2)CCNC1 230742181 344642067 /nfs/dbraw/zinc/64/20/67/344642067.db2.gz DLDWAJGZHCPTSQ-SNVBAGLBSA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@]1([NH2+]C2CCCC2)CCNC1 230742183 344642080 /nfs/dbraw/zinc/64/20/80/344642080.db2.gz DLDWAJGZHCPTSQ-JTQLQIEISA-N 1 3 168.284 1.271 10 0 ADAEHO CC1CCC([NH2+][C@]2(C)CCNC2)CC1 230743041 344642100 /nfs/dbraw/zinc/64/21/00/344642100.db2.gz XYKFANOJNBSDAX-HTAVTVPLSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1CCC([NH2+][C@@]2(C)CCNC2)CC1 230743038 344642105 /nfs/dbraw/zinc/64/21/05/344642105.db2.gz XYKFANOJNBSDAX-MCIGGMRASA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@]1([NH2+]C2CCCCC2)CCNC1 230741470 344642126 /nfs/dbraw/zinc/64/21/26/344642126.db2.gz VKYAWEWCFNKKDF-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO CC[C@H](C)[NH2+][C@@]1(C)CCNC1 230740221 344642142 /nfs/dbraw/zinc/64/21/42/344642142.db2.gz HXJBPNBFXUEOPL-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CC(C)C[C@H]1CCC[C@@](N)(C[NH3+])C1 230776752 344643223 /nfs/dbraw/zinc/64/32/23/344643223.db2.gz JQXNQORDTWGYMQ-MNOVXSKESA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)C[C@@H]1CCC[C@@](N)(C[NH3+])C1 230776750 344643310 /nfs/dbraw/zinc/64/33/10/344643310.db2.gz JQXNQORDTWGYMQ-QWRGUYRKSA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)C[C@H]1CCC[C@](N)(C[NH3+])C1 230776757 344643353 /nfs/dbraw/zinc/64/33/53/344643353.db2.gz JQXNQORDTWGYMQ-GHMZBOCLSA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)C[C@@H]1CCC[C@](N)(C[NH3+])C1 230776754 344643367 /nfs/dbraw/zinc/64/33/67/344643367.db2.gz JQXNQORDTWGYMQ-WDEREUQCSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[C@H](N)C[N@@H+]1CCC=C(C)C1 230819601 344643610 /nfs/dbraw/zinc/64/36/10/344643610.db2.gz CPHUMVQYEUHDBP-JTQLQIEISA-N 1 3 168.284 1.376 10 0 ADAEHO CC[C@H](N)C[N@H+]1CCC=C(C)C1 230819601 344643611 /nfs/dbraw/zinc/64/36/11/344643611.db2.gz CPHUMVQYEUHDBP-JTQLQIEISA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCC[N@@H+](C[C@@H](N)C(C)C)C1 230819066 344643734 /nfs/dbraw/zinc/64/37/34/344643734.db2.gz VCXFSFMPYXBIIC-LLVKDONJSA-N 1 3 182.311 1.622 10 0 ADAEHO CC1=CCC[N@H+](C[C@@H](N)C(C)C)C1 230819066 344643737 /nfs/dbraw/zinc/64/37/37/344643737.db2.gz VCXFSFMPYXBIIC-LLVKDONJSA-N 1 3 182.311 1.622 10 0 ADAEHO CC1=CCCN(CCC(C)(C)[NH3+])C1 230822574 344643745 /nfs/dbraw/zinc/64/37/45/344643745.db2.gz NETYESBHUXDLDP-UHFFFAOYSA-N 1 3 182.311 1.766 10 0 ADAEHO CC1=CCCN(C[C@@H]2CC[NH2+]C2)C1 230825975 344643777 /nfs/dbraw/zinc/64/37/77/344643777.db2.gz GJGYLORFQIRTBL-LLVKDONJSA-N 1 3 180.295 1.248 10 0 ADAEHO CC1=CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 230825174 344643833 /nfs/dbraw/zinc/64/38/33/344643833.db2.gz AQQVCUUDHHQFOD-NEPJUHHUSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCC[N@@H+](C[C@H](N)C(C)C)C1 230819100 344643845 /nfs/dbraw/zinc/64/38/45/344643845.db2.gz VCXFSFMPYXBIIC-NSHDSACASA-N 1 3 182.311 1.622 10 0 ADAEHO CC1=CCC[N@H+](C[C@H](N)C(C)C)C1 230819100 344643847 /nfs/dbraw/zinc/64/38/47/344643847.db2.gz VCXFSFMPYXBIIC-NSHDSACASA-N 1 3 182.311 1.622 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1CCC=C(C)C1 230819558 344643890 /nfs/dbraw/zinc/64/38/90/344643890.db2.gz CPHUMVQYEUHDBP-SNVBAGLBSA-N 1 3 168.284 1.376 10 0 ADAEHO CC[C@@H](N)C[N@H+]1CCC=C(C)C1 230819558 344643891 /nfs/dbraw/zinc/64/38/91/344643891.db2.gz CPHUMVQYEUHDBP-SNVBAGLBSA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCCN(C[C@H]2C[NH2+]C[C@@H]2C)C1 230836303 344644153 /nfs/dbraw/zinc/64/41/53/344644153.db2.gz AQQVCUUDHHQFOD-NWDGAFQWSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCC[N@@H+]([C@@H](C)CCN)C1 230880942 344644176 /nfs/dbraw/zinc/64/41/76/344644176.db2.gz JAMLHFBBDMXCHC-JTQLQIEISA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCC[N@H+]([C@@H](C)CCN)C1 230880942 344644178 /nfs/dbraw/zinc/64/41/78/344644178.db2.gz JAMLHFBBDMXCHC-JTQLQIEISA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCCN([C@@H](C)CC[NH3+])C1 230880942 344644181 /nfs/dbraw/zinc/64/41/81/344644181.db2.gz JAMLHFBBDMXCHC-JTQLQIEISA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCCN([C@H]2CC[C@@H]2C[NH3+])C1 230882068 344644217 /nfs/dbraw/zinc/64/42/17/344644217.db2.gz PIQNDORURXYZAN-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@@H+]([C@H]2CC[C@@H]2CN)C1 230882068 344644218 /nfs/dbraw/zinc/64/42/18/344644218.db2.gz PIQNDORURXYZAN-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@H+]([C@H]2CC[C@@H]2CN)C1 230882068 344644220 /nfs/dbraw/zinc/64/42/20/344644220.db2.gz PIQNDORURXYZAN-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCCN([C@@H]2CC[C@@H]2C[NH3+])C1 230882060 344644246 /nfs/dbraw/zinc/64/42/46/344644246.db2.gz PIQNDORURXYZAN-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 230882060 344644247 /nfs/dbraw/zinc/64/42/47/344644247.db2.gz PIQNDORURXYZAN-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 230882060 344644249 /nfs/dbraw/zinc/64/42/49/344644249.db2.gz PIQNDORURXYZAN-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCCN(C[C@@H]2C[NH2+]C[C@@H]2C)C1 230836268 344644262 /nfs/dbraw/zinc/64/42/62/344644262.db2.gz AQQVCUUDHHQFOD-RYUDHWBXSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCC[N@H+](CC(C)(C)N)C1 230835709 344644281 /nfs/dbraw/zinc/64/42/81/344644281.db2.gz WZLJZQNAWHSSRC-UHFFFAOYSA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCC[N@@H+](CC(C)(C)N)C1 230835709 344644283 /nfs/dbraw/zinc/64/42/83/344644283.db2.gz WZLJZQNAWHSSRC-UHFFFAOYSA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCC[N@H+](CC2(N)CCC2)C1 230828063 344644290 /nfs/dbraw/zinc/64/42/90/344644290.db2.gz YNBCTJWSAUQOOE-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO CC1=CCC[N@@H+](CC2(N)CCC2)C1 230828063 344644292 /nfs/dbraw/zinc/64/42/92/344644292.db2.gz YNBCTJWSAUQOOE-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO CC1=CCCN(C[C@H]2CC[NH2+]C2)C1 230826008 344644362 /nfs/dbraw/zinc/64/43/62/344644362.db2.gz GJGYLORFQIRTBL-NSHDSACASA-N 1 3 180.295 1.248 10 0 ADAEHO CC1=CCC[N@H+]([C@H](C)CCN)C1 230880948 344644461 /nfs/dbraw/zinc/64/44/61/344644461.db2.gz JAMLHFBBDMXCHC-SNVBAGLBSA-N 1 3 168.284 1.376 10 0 ADAEHO CC1=CCCN([C@H](C)CC[NH3+])C1 230880948 344644462 /nfs/dbraw/zinc/64/44/62/344644462.db2.gz JAMLHFBBDMXCHC-SNVBAGLBSA-N 1 3 168.284 1.376 10 0 ADAEHO CNC[C@]1(C)CC[N@@H+](C2CCCC2)C1 230904070 344644713 /nfs/dbraw/zinc/64/47/13/344644713.db2.gz NDHGBBUKSXAXJC-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@]1(C)CC[N@@H+](C2CCCC2)C1 230904066 344644816 /nfs/dbraw/zinc/64/48/16/344644816.db2.gz NDHGBBUKSXAXJC-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@]1(C)CC[N@H+](C2CCCC2)C1 230904066 344644817 /nfs/dbraw/zinc/64/48/17/344644817.db2.gz NDHGBBUKSXAXJC-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[C@H]1CCC[C@](N)(C[NH3+])C1 231000434 344647206 /nfs/dbraw/zinc/64/72/06/344647206.db2.gz VNKYDJZGOPNDEP-VHSXEESVSA-N 1 3 170.300 1.489 10 0 ADAEHO CC(C)[C@@H]1CCC[C@@](N)(C[NH3+])C1 231000425 344647238 /nfs/dbraw/zinc/64/72/38/344647238.db2.gz VNKYDJZGOPNDEP-ZJUUUORDSA-N 1 3 170.300 1.489 10 0 ADAEHO CC(C)[C@@H]1CCC[C@](N)(C[NH3+])C1 231000432 344647320 /nfs/dbraw/zinc/64/73/20/344647320.db2.gz VNKYDJZGOPNDEP-NXEZZACHSA-N 1 3 170.300 1.489 10 0 ADAEHO CC(C)[C@H]1CCC[C@@](N)(C[NH3+])C1 231000429 344647361 /nfs/dbraw/zinc/64/73/61/344647361.db2.gz VNKYDJZGOPNDEP-UWVGGRQHSA-N 1 3 170.300 1.489 10 0 ADAEHO CC1CC([N@@H+]2CCC[C@H](CN)C2)C1 231423314 344653053 /nfs/dbraw/zinc/65/30/53/344653053.db2.gz WDJIRUFFVJOFKY-HSOILSAZSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC([N@H+]2CCC[C@H](CN)C2)C1 231423314 344653055 /nfs/dbraw/zinc/65/30/55/344653055.db2.gz WDJIRUFFVJOFKY-HSOILSAZSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC(N2CCC[C@H](C[NH3+])C2)C1 231423314 344653057 /nfs/dbraw/zinc/65/30/57/344653057.db2.gz WDJIRUFFVJOFKY-HSOILSAZSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC([N@@H+]2CCC[C@@H](CN)C2)C1 231423288 344653155 /nfs/dbraw/zinc/65/31/55/344653155.db2.gz WDJIRUFFVJOFKY-YVNMAJEFSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC(N2CCC[C@@H](C[NH3+])C2)C1 231423288 344653161 /nfs/dbraw/zinc/65/31/61/344653161.db2.gz WDJIRUFFVJOFKY-YVNMAJEFSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC([N@@H+]2C[C@@H](CN)C[C@@H]2C)C1 231436511 344653487 /nfs/dbraw/zinc/65/34/87/344653487.db2.gz PZIWQRSZEBLBDB-LIZLNQBYSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@H+]2C[C@@H](CN)C[C@@H]2C)C1 231436511 344653489 /nfs/dbraw/zinc/65/34/89/344653489.db2.gz PZIWQRSZEBLBDB-LIZLNQBYSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC(N2CCC[C@H]2C[NH3+])C1 231432946 344653634 /nfs/dbraw/zinc/65/36/34/344653634.db2.gz GVEWMSUFRVPFKA-KYHHOPLUSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1CC([N@@H+]2C[C@H](CN)C[C@@H]2C)C1 231436538 344653659 /nfs/dbraw/zinc/65/36/59/344653659.db2.gz PZIWQRSZEBLBDB-SEQHWMEXSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@H+]2C[C@H](CN)C[C@@H]2C)C1 231436538 344653660 /nfs/dbraw/zinc/65/36/60/344653660.db2.gz PZIWQRSZEBLBDB-SEQHWMEXSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC(N2CCC[C@@H]2C[NH3+])C1 231432914 344653680 /nfs/dbraw/zinc/65/36/80/344653680.db2.gz GVEWMSUFRVPFKA-HWOCKDDLSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@H+](C2(C)CC2)[C@@H]1C 232089194 344671942 /nfs/dbraw/zinc/67/19/42/344671942.db2.gz ZPRQAQWZHLXHHK-IVZWLZJFSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@H](N)CC[N@@H+](C2(C)CC2)[C@@H]1C 232089194 344671944 /nfs/dbraw/zinc/67/19/44/344671944.db2.gz ZPRQAQWZHLXHHK-IVZWLZJFSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN(C2(C)CC2)[C@@H]1C 232089194 344671945 /nfs/dbraw/zinc/67/19/45/344671945.db2.gz ZPRQAQWZHLXHHK-IVZWLZJFSA-N 1 3 182.311 1.597 10 0 ADAEHO C/C=C/C[N@@H+]1C[C@H](C)NCC[C@@H]1C 232450133 344677108 /nfs/dbraw/zinc/67/71/08/344677108.db2.gz ATWCYQOAPUJDEJ-NNOMMRTBSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@H+]1C[C@H](C)NCC[C@@H]1C 232450133 344677111 /nfs/dbraw/zinc/67/71/11/344677111.db2.gz ATWCYQOAPUJDEJ-NNOMMRTBSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 232467379 344678730 /nfs/dbraw/zinc/67/87/30/344678730.db2.gz QDGXQSRMIQVPJO-BXXZLRJFSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 232467379 344678731 /nfs/dbraw/zinc/67/87/31/344678731.db2.gz QDGXQSRMIQVPJO-BXXZLRJFSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@@H+]1CCCNC(C)(C)C1 232484701 344679920 /nfs/dbraw/zinc/67/99/20/344679920.db2.gz JFDRZQPTJIHUFE-SNAWJCMRSA-N 1 3 182.311 1.636 10 0 ADAEHO C/C=C/C[N@H+]1CCCNC(C)(C)C1 232484701 344679923 /nfs/dbraw/zinc/67/99/23/344679923.db2.gz JFDRZQPTJIHUFE-SNAWJCMRSA-N 1 3 182.311 1.636 10 0 ADAEHO C/C=C/C[N@@H+]1CCNCC[C@H]1C 232485457 344680041 /nfs/dbraw/zinc/68/00/41/344680041.db2.gz RPFSZDYDRJZIPU-HMDXOVGESA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C/C[N@H+]1CCNCC[C@H]1C 232485457 344680042 /nfs/dbraw/zinc/68/00/42/344680042.db2.gz RPFSZDYDRJZIPU-HMDXOVGESA-N 1 3 168.284 1.246 10 0 ADAEHO C/C=C/C[N@@H+]1C[C@@H](C)NCC[C@@H]1C 232486357 344680051 /nfs/dbraw/zinc/68/00/51/344680051.db2.gz ATWCYQOAPUJDEJ-ZJRFNNFUSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@H+]1C[C@@H](C)NCC[C@@H]1C 232486357 344680052 /nfs/dbraw/zinc/68/00/52/344680052.db2.gz ATWCYQOAPUJDEJ-ZJRFNNFUSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@@H+]1CCNCC[C@@H]1C 232485449 344680061 /nfs/dbraw/zinc/68/00/61/344680061.db2.gz RPFSZDYDRJZIPU-FSIBCCDJSA-N 1 3 168.284 1.246 10 0 ADAEHO CC(C)(C1CC1)[NH+]1CCC(N)CC1 232516647 344680415 /nfs/dbraw/zinc/68/04/15/344680415.db2.gz CMJPRMZKLNGRRR-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)C1CCN(C2CC([NH3+])C2)CC1 232536439 344681438 /nfs/dbraw/zinc/68/14/38/344681438.db2.gz SOVWQMXMTNWCDU-UHFFFAOYSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C1CC(C[NH3+])(N2CCCC2)C1 232533651 344681474 /nfs/dbraw/zinc/68/14/74/344681474.db2.gz YBNYQMVACDRDOK-UHFFFAOYSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[C@H]1C[N@@H+]1CC[C@@H](CN)C1 232801146 344691280 /nfs/dbraw/zinc/69/12/80/344691280.db2.gz MYBLTJPPPGMWGO-UWVGGRQHSA-N 1 3 182.311 1.313 10 0 ADAEHO CC1(C)C[C@H]1C[N@H+]1CC[C@@H](CN)C1 232801146 344691283 /nfs/dbraw/zinc/69/12/83/344691283.db2.gz MYBLTJPPPGMWGO-UWVGGRQHSA-N 1 3 182.311 1.313 10 0 ADAEHO CC1(C)C[C@H]1CN1CC[C@@H]([NH3+])C1 232801270 344691398 /nfs/dbraw/zinc/69/13/98/344691398.db2.gz GRFSECOBLSDPMF-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@H]1C[NH+]1CCC(N)CC1 232800202 344691435 /nfs/dbraw/zinc/69/14/35/344691435.db2.gz GTDINFQXCKGMFS-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@H]1CN1CCC([NH3+])CC1 232800202 344691438 /nfs/dbraw/zinc/69/14/38/344691438.db2.gz GTDINFQXCKGMFS-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC(C[NH3+])(N2CCCC2)C1 232803324 344691872 /nfs/dbraw/zinc/69/18/72/344691872.db2.gz QPEBCDREJQCIMO-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CC1CC([N@H+](C)C[C@H]2CCCNC2)C1 232811860 344692390 /nfs/dbraw/zinc/69/23/90/344692390.db2.gz DLZGUXORYKIBKV-CXQJBGSLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CC([N@@H+](C)C[C@H]2CCCNC2)C1 232811860 344692391 /nfs/dbraw/zinc/69/23/91/344692391.db2.gz DLZGUXORYKIBKV-CXQJBGSLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CC(N(C)C[C@H]2CCC[NH2+]C2)C1 232811860 344692394 /nfs/dbraw/zinc/69/23/94/344692394.db2.gz DLZGUXORYKIBKV-CXQJBGSLSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CC([N@H+](C)C[C@@H]2CCCNC2)C1 232811716 344692434 /nfs/dbraw/zinc/69/24/34/344692434.db2.gz DLZGUXORYKIBKV-MOENNCHZSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CC([N@@H+](C)C[C@@H]2CCCNC2)C1 232811716 344692436 /nfs/dbraw/zinc/69/24/36/344692436.db2.gz DLZGUXORYKIBKV-MOENNCHZSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CC(N(C)C[C@@H]2CCC[NH2+]C2)C1 232811716 344692438 /nfs/dbraw/zinc/69/24/38/344692438.db2.gz DLZGUXORYKIBKV-MOENNCHZSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CC(N2C[C@@H](C)[C@@H]([NH3+])C2)C1 232819954 344692673 /nfs/dbraw/zinc/69/26/73/344692673.db2.gz TZEUCUYTKOVSET-RGWUEKKESA-N 1 3 168.284 1.064 10 0 ADAEHO CC1(CN2CCC([NH3+])CC2)CCC1 232822467 344693113 /nfs/dbraw/zinc/69/31/13/344693113.db2.gz XWPRRXPCMRUZIP-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CC1(C[NH+]2CCC(N)CC2)CCC1 232822467 344693115 /nfs/dbraw/zinc/69/31/15/344693115.db2.gz XWPRRXPCMRUZIP-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CC1(CN2CCC[NH2+]CCC2)CC1 232823569 344693438 /nfs/dbraw/zinc/69/34/38/344693438.db2.gz UCSRQAFKBBMSIS-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CC1(C[NH+]2CCCNCCC2)CC1 232823569 344693441 /nfs/dbraw/zinc/69/34/41/344693441.db2.gz UCSRQAFKBBMSIS-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CC1C[NH+]([C@H]2CCN[C@H](C)C2)C1 232829722 344693619 /nfs/dbraw/zinc/69/36/19/344693619.db2.gz BVADEYPROYEYAP-ZJUUUORDSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1C[NH+]([C@@H]2CCN[C@@H](C)C2)C1 232829451 344693801 /nfs/dbraw/zinc/69/38/01/344693801.db2.gz BVADEYPROYEYAP-VHSXEESVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1C[NH+]([C@H]2CCN[C@@H](C)C2)C1 232829671 344693839 /nfs/dbraw/zinc/69/38/39/344693839.db2.gz BVADEYPROYEYAP-UWVGGRQHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1C[NH+]([C@@H]2CCN[C@H](C)C2)C1 232829482 344693885 /nfs/dbraw/zinc/69/38/85/344693885.db2.gz BVADEYPROYEYAP-NXEZZACHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1(C)C[C@H]1C[NH2+]C1CC(N)C1 232849988 344694765 /nfs/dbraw/zinc/69/47/65/344694765.db2.gz MFFPILCJPKZQPF-UEJVZZJDSA-N 1 3 168.284 1.112 10 0 ADAEHO CC1(C)C[C@H]1CNC1CC([NH3+])C1 232849988 344694767 /nfs/dbraw/zinc/69/47/67/344694767.db2.gz MFFPILCJPKZQPF-UEJVZZJDSA-N 1 3 168.284 1.112 10 0 ADAEHO CC1(C[NH2+]C2CCNCC2)CCC1 232848027 344694858 /nfs/dbraw/zinc/69/48/58/344694858.db2.gz SYEIWZTVVFJLLY-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO CC1(C)C[C@H]1C[NH2+]C1CCNCC1 232850280 344694870 /nfs/dbraw/zinc/69/48/70/344694870.db2.gz SKLYDNWJQVETTM-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@@H]1C[N@@H+]1CC[C@@H](CN)C1 232865704 344695651 /nfs/dbraw/zinc/69/56/51/344695651.db2.gz MYBLTJPPPGMWGO-VHSXEESVSA-N 1 3 182.311 1.313 10 0 ADAEHO CC1(C)C[C@@H]1C[N@H+]1CC[C@@H](CN)C1 232865704 344695653 /nfs/dbraw/zinc/69/56/53/344695653.db2.gz MYBLTJPPPGMWGO-VHSXEESVSA-N 1 3 182.311 1.313 10 0 ADAEHO CC1(C)C[C@@H]1C[NH+]1CCC(N)CC1 232865096 344695672 /nfs/dbraw/zinc/69/56/72/344695672.db2.gz GTDINFQXCKGMFS-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@H]1CN1CCC([NH3+])CC1 232865096 344695674 /nfs/dbraw/zinc/69/56/74/344695674.db2.gz GTDINFQXCKGMFS-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@H]1CN1CC[C@@H]([NH3+])C1 232865777 344695765 /nfs/dbraw/zinc/69/57/65/344695765.db2.gz GRFSECOBLSDPMF-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CCCC1CN([C@@H]2CC[NH2+][C@H](C)C2)C1 232905228 344696895 /nfs/dbraw/zinc/69/68/95/344696895.db2.gz NJCXVSYANZRKRC-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCN[C@H](C)C2)C1 232905228 344696897 /nfs/dbraw/zinc/69/68/97/344696897.db2.gz NJCXVSYANZRKRC-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC1CN([C@H]2CC[NH2+][C@@H](C)C2)C1 232905468 344696982 /nfs/dbraw/zinc/69/69/82/344696982.db2.gz NJCXVSYANZRKRC-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC1C[NH+]([C@H]2CCN[C@@H](C)C2)C1 232905468 344696984 /nfs/dbraw/zinc/69/69/84/344696984.db2.gz NJCXVSYANZRKRC-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC1CN([C@@H]2CC[NH2+][C@@H](C)C2)C1 232905179 344696993 /nfs/dbraw/zinc/69/69/93/344696993.db2.gz NJCXVSYANZRKRC-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC1C[NH+]([C@@H]2CCN[C@@H](C)C2)C1 232905179 344696995 /nfs/dbraw/zinc/69/69/95/344696995.db2.gz NJCXVSYANZRKRC-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1(C)C[C@@H]1C[NH2+]C1CC(N)C1 232908468 344697037 /nfs/dbraw/zinc/69/70/37/344697037.db2.gz MFFPILCJPKZQPF-AFPNSQJFSA-N 1 3 168.284 1.112 10 0 ADAEHO CC1(C)C[C@@H]1CNC1CC([NH3+])C1 232908468 344697039 /nfs/dbraw/zinc/69/70/39/344697039.db2.gz MFFPILCJPKZQPF-AFPNSQJFSA-N 1 3 168.284 1.112 10 0 ADAEHO CC1(C)C[C@H]1C[NH2+][C@@H]1CCCNCC1 232915186 344697070 /nfs/dbraw/zinc/69/70/70/344697070.db2.gz ARNGBGQLMVWDED-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)C[C@H]1C[NH2+][C@H]1CCCNCC1 232920455 344697139 /nfs/dbraw/zinc/69/71/39/344697139.db2.gz ARNGBGQLMVWDED-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC1CN([C@@H]2CC[NH2+][C@H](C)C2)C1 232932928 344697582 /nfs/dbraw/zinc/69/75/82/344697582.db2.gz MHFQMGNAFCOFHM-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCN[C@H](C)C2)C1 232932928 344697583 /nfs/dbraw/zinc/69/75/83/344697583.db2.gz MHFQMGNAFCOFHM-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCNCC1 232958101 344697587 /nfs/dbraw/zinc/69/75/87/344697587.db2.gz ARNGBGQLMVWDED-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCNCC1 232962351 344698030 /nfs/dbraw/zinc/69/80/30/344698030.db2.gz ARNGBGQLMVWDED-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO CCCCN1C[C@H](C)[C@@H]([NH3+])C1 232963795 344698214 /nfs/dbraw/zinc/69/82/14/344698214.db2.gz HTMOSHHXOXADSI-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C[NH2+][C@@H]2CCCNCC2)CCC1 233021143 344698597 /nfs/dbraw/zinc/69/85/97/344698597.db2.gz LQZQGTANNJQAPH-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(C[NH2+][C@@H]2CC[C@H](N)C2)CC1 233024313 344698689 /nfs/dbraw/zinc/69/86/89/344698689.db2.gz BZPVPTLQGHKKTQ-DTWKUNHWSA-N 1 3 168.284 1.256 10 0 ADAEHO CC1(C[NH2+][C@@H]2CC[C@@H](N)C2)CC1 233023837 344698695 /nfs/dbraw/zinc/69/86/95/344698695.db2.gz BZPVPTLQGHKKTQ-RKDXNWHRSA-N 1 3 168.284 1.256 10 0 ADAEHO CC1(C[NH2+][C@@H]2CCNC2)CCC1 233023517 344698750 /nfs/dbraw/zinc/69/87/50/344698750.db2.gz QCMZNGZNLJQGEU-SECBINFHSA-N 1 3 168.284 1.128 10 0 ADAEHO CC1(C[NH2+][C@H]2CCCNCC2)CCC1 233028463 344699248 /nfs/dbraw/zinc/69/92/48/344699248.db2.gz LQZQGTANNJQAPH-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(C[NH2+][C@H]2CC[C@H](N)C2)CC1 233030658 344699353 /nfs/dbraw/zinc/69/93/53/344699353.db2.gz BZPVPTLQGHKKTQ-IUCAKERBSA-N 1 3 168.284 1.256 10 0 ADAEHO CC1(C[NH2+][C@H]2CCNC2)CCC1 233030162 344699386 /nfs/dbraw/zinc/69/93/86/344699386.db2.gz QCMZNGZNLJQGEU-VIFPVBQESA-N 1 3 168.284 1.128 10 0 ADAEHO CC1(C[NH2+][C@H]2CC[C@@H](N)C2)CC1 233030374 344699462 /nfs/dbraw/zinc/69/94/62/344699462.db2.gz BZPVPTLQGHKKTQ-BDAKNGLRSA-N 1 3 168.284 1.256 10 0 ADAEHO CCC[C@@H](C)[NH2+]CC[C@H](C)N 233280783 344699825 /nfs/dbraw/zinc/69/98/25/344699825.db2.gz GOVUUOVLTVWIRL-DTWKUNHWSA-N 1 3 158.289 1.502 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])[C@@H](C)C1 233301313 344700186 /nfs/dbraw/zinc/70/01/86/344700186.db2.gz DFDCXCPJZNDZCM-QCNOEVLYSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@@H]1C[C@H]1N1CCC[NH2+]CCC1 233300428 344700228 /nfs/dbraw/zinc/70/02/28/344700228.db2.gz DNALWIGJYXISGV-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH+]1CCCNCCC1 233300428 344700229 /nfs/dbraw/zinc/70/02/29/344700229.db2.gz DNALWIGJYXISGV-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N1CCC[NH2+]CCC1 233301191 344700351 /nfs/dbraw/zinc/70/03/51/344700351.db2.gz DNALWIGJYXISGV-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH+]1CCCNCCC1 233301191 344700354 /nfs/dbraw/zinc/70/03/54/344700354.db2.gz DNALWIGJYXISGV-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@H](C)[NH2+]CC[C@H](C)N 233337426 344700718 /nfs/dbraw/zinc/70/07/18/344700718.db2.gz GOVUUOVLTVWIRL-IUCAKERBSA-N 1 3 158.289 1.502 10 0 ADAEHO CCC[C@H]1C[C@H]1N1CCC[NH2+]CCC1 233361734 344701110 /nfs/dbraw/zinc/70/11/10/344701110.db2.gz DNALWIGJYXISGV-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@H]1C[C@H]1[NH+]1CCCNCCC1 233361734 344701112 /nfs/dbraw/zinc/70/11/12/344701112.db2.gz DNALWIGJYXISGV-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@H]1C[C@@H]1N1CCC[NH2+]CCC1 233368659 344701119 /nfs/dbraw/zinc/70/11/19/344701119.db2.gz DNALWIGJYXISGV-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@H]1C[C@@H]1[NH+]1CCCNCCC1 233368659 344701120 /nfs/dbraw/zinc/70/11/20/344701120.db2.gz DNALWIGJYXISGV-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCSCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 233828182 344704728 /nfs/dbraw/zinc/70/47/28/344704728.db2.gz DWYZUCUHNRXFCK-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO CCSCC[N@H+]1C[C@@H](C)[C@@H](N)C1 233828182 344704731 /nfs/dbraw/zinc/70/47/31/344704731.db2.gz DWYZUCUHNRXFCK-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO CCSCC[N@@H+]1C[C@H](C)[C@@H](N)C1 233828856 344704807 /nfs/dbraw/zinc/70/48/07/344704807.db2.gz DWYZUCUHNRXFCK-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO CCSCC[N@H+]1C[C@H](C)[C@@H](N)C1 233828856 344704809 /nfs/dbraw/zinc/70/48/09/344704809.db2.gz DWYZUCUHNRXFCK-IUCAKERBSA-N 1 3 188.340 1.019 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])C[C@@H]1C 233929812 344707594 /nfs/dbraw/zinc/70/75/94/344707594.db2.gz VWHDJZXWXQUVFO-ZDCRXTMVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H](N)C[C@@H]1C 233929812 344707595 /nfs/dbraw/zinc/70/75/95/344707595.db2.gz VWHDJZXWXQUVFO-ZDCRXTMVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H](N)C[C@@H]1C 233929812 344707596 /nfs/dbraw/zinc/70/75/96/344707596.db2.gz VWHDJZXWXQUVFO-ZDCRXTMVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CCC([NH3+])CC1 233929292 344707713 /nfs/dbraw/zinc/70/77/13/344707713.db2.gz SAHDBLZCOOEUGO-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CCC[NH2+]CCC1 233929367 344707774 /nfs/dbraw/zinc/70/77/74/344707774.db2.gz JJNGAJHOVFJEDG-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH+]1CCCNCCC1 233929367 344707775 /nfs/dbraw/zinc/70/77/75/344707775.db2.gz JJNGAJHOVFJEDG-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@H](N)C1 233929462 344707797 /nfs/dbraw/zinc/70/77/97/344707797.db2.gz APMLQCNRHSNHID-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CCC[C@@H](N)C1 233929462 344707798 /nfs/dbraw/zinc/70/77/98/344707798.db2.gz APMLQCNRHSNHID-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CCC[NH2+]CCC1 233934693 344708112 /nfs/dbraw/zinc/70/81/12/344708112.db2.gz JJNGAJHOVFJEDG-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1C[C@H]1[NH+]1CCCNCCC1 233934693 344708113 /nfs/dbraw/zinc/70/81/13/344708113.db2.gz JJNGAJHOVFJEDG-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CC[NH2+]C[C@@H](C)C1 233934839 344708148 /nfs/dbraw/zinc/70/81/48/344708148.db2.gz DUKBWIYYCWRUIC-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CCC[NH2+][C@@H](C)C1 233934719 344708160 /nfs/dbraw/zinc/70/81/60/344708160.db2.gz KWUDLVQYXCQWTA-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CN(C2CC2)CC[C@@H]1[NH3+] 233937920 344708187 /nfs/dbraw/zinc/70/81/87/344708187.db2.gz LNOLTVJLCXQBKL-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CCC([NH3+])CC1 233934653 344708197 /nfs/dbraw/zinc/70/81/97/344708197.db2.gz SAHDBLZCOOEUGO-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 234018701 344710302 /nfs/dbraw/zinc/71/03/02/344710302.db2.gz FLGJRKYGGOWYHY-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H]1C[C@H]1N1CCC([NH3+])CC1 234054731 344711008 /nfs/dbraw/zinc/71/10/08/344711008.db2.gz SAHDBLZCOOEUGO-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1C[C@H]1N1CCC[NH2+]CCC1 234054835 344711056 /nfs/dbraw/zinc/71/10/56/344711056.db2.gz JJNGAJHOVFJEDG-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1C[C@H]1[NH+]1CCCNCCC1 234054835 344711058 /nfs/dbraw/zinc/71/10/58/344711058.db2.gz JJNGAJHOVFJEDG-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1C[C@@H]1N1CCC([NH3+])CC1 234062541 344711761 /nfs/dbraw/zinc/71/17/61/344711761.db2.gz SAHDBLZCOOEUGO-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1CN(C2CC2)CC[C@@H]1[NH3+] 234109687 344712404 /nfs/dbraw/zinc/71/24/04/344712404.db2.gz LNOLTVJLCXQBKL-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2(C)CC2)[C@@H](C)C1 234449154 344720862 /nfs/dbraw/zinc/72/08/62/344720862.db2.gz LPXLMKAJQBBPJZ-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2(C)CC2)[C@@H](C)C1 234449154 344720865 /nfs/dbraw/zinc/72/08/65/344720865.db2.gz LPXLMKAJQBBPJZ-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2(C)CC2)C[C@@H]1C 234449110 344721012 /nfs/dbraw/zinc/72/10/12/344721012.db2.gz CTGVOUZVXPJGCZ-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2(C)CC2)C[C@@H]1C 234511095 344722132 /nfs/dbraw/zinc/72/21/32/344722132.db2.gz CTGVOUZVXPJGCZ-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2(C)CC2)[C@@H](C)C1 234511132 344722167 /nfs/dbraw/zinc/72/21/67/344722167.db2.gz LPXLMKAJQBBPJZ-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2(C)CC2)[C@@H](C)C1 234511132 344722168 /nfs/dbraw/zinc/72/21/68/344722168.db2.gz LPXLMKAJQBBPJZ-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2(C)CC2)[C@@H](C)C1 234511132 344722170 /nfs/dbraw/zinc/72/21/70/344722170.db2.gz LPXLMKAJQBBPJZ-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]([NH3+])[C@@H]1CCCN(C2CC2)C1 235167718 344734941 /nfs/dbraw/zinc/73/49/41/344734941.db2.gz XMZKWCUZOWHRAW-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]([NH3+])[C@H]1CCCN(C2CC2)C1 235167939 344735073 /nfs/dbraw/zinc/73/50/73/344735073.db2.gz XMZKWCUZOWHRAW-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1C1CC1 235264524 344738943 /nfs/dbraw/zinc/73/89/43/344738943.db2.gz ZASVNSWPUPMVHV-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@@]1(N)C[NH3+] 235266325 344738889 /nfs/dbraw/zinc/73/88/89/344738889.db2.gz BEIQYFSWXCVJIJ-VXNVDRBHSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1CC1(C)CC1 235290612 344741295 /nfs/dbraw/zinc/74/12/95/344741295.db2.gz QUDSQTFMQJAQBW-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1(C)CC1 235290612 344741297 /nfs/dbraw/zinc/74/12/97/344741297.db2.gz QUDSQTFMQJAQBW-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1(C)CC1 235290612 344741298 /nfs/dbraw/zinc/74/12/98/344741298.db2.gz QUDSQTFMQJAQBW-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1C1CC1 235293565 344741334 /nfs/dbraw/zinc/74/13/34/344741334.db2.gz ZASVNSWPUPMVHV-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1C1CC1 235293565 344741335 /nfs/dbraw/zinc/74/13/35/344741335.db2.gz ZASVNSWPUPMVHV-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1C1CC1 235293565 344741339 /nfs/dbraw/zinc/74/13/39/344741339.db2.gz ZASVNSWPUPMVHV-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)CC1 235303935 344742284 /nfs/dbraw/zinc/74/22/84/344742284.db2.gz VHCSHDQWEAZTNG-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@H]1CNC1CCCC1 235312714 344742814 /nfs/dbraw/zinc/74/28/14/344742814.db2.gz VOUYBDNBEFFREF-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1CNC1CCCC1 235324164 344743144 /nfs/dbraw/zinc/74/31/44/344743144.db2.gz VOUYBDNBEFFREF-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CN(C2(C[NH3+])CC2)C[C@H]1C 235330830 344743900 /nfs/dbraw/zinc/74/39/00/344743900.db2.gz SDWKSTUAHFMHEQ-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@]1(N)C[NH3+] 235337529 344744241 /nfs/dbraw/zinc/74/42/41/344744241.db2.gz BEIQYFSWXCVJIJ-APPZFPTMSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CCN(C2CC2)C[C@@H]1C[NH3+] 235353146 344745585 /nfs/dbraw/zinc/74/55/85/344745585.db2.gz IHNHACJUUOPBTE-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CC2)C[C@@H]1CN 235353146 344745587 /nfs/dbraw/zinc/74/55/87/344745587.db2.gz IHNHACJUUOPBTE-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CC2)C[C@@H]1CN 235353146 344745590 /nfs/dbraw/zinc/74/55/90/344745590.db2.gz IHNHACJUUOPBTE-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)=CC[N@@H+]1CCCN[C@H](C)C1 235357904 344745645 /nfs/dbraw/zinc/74/56/45/344745645.db2.gz UBNKOXMKKJSXNU-LLVKDONJSA-N 1 3 182.311 1.636 10 0 ADAEHO CC(C)=CC[N@H+]1CCCN[C@H](C)C1 235357904 344745648 /nfs/dbraw/zinc/74/56/48/344745648.db2.gz UBNKOXMKKJSXNU-LLVKDONJSA-N 1 3 182.311 1.636 10 0 ADAEHO C[C@@H]1CN(CC2CCCC2)C[C@@H]1[NH3+] 235356039 344745723 /nfs/dbraw/zinc/74/57/23/344745723.db2.gz RNMZRCMRGDEUIE-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CN(CC2CCC2)C[C@@H]1[NH3+] 235355916 344745839 /nfs/dbraw/zinc/74/58/39/344745839.db2.gz XJYRTBKXYDPYQL-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@@H](Nc2ccncc2)CC[NH2+]1 235356142 344745887 /nfs/dbraw/zinc/74/58/87/344745887.db2.gz BVRSEMLVTVWVQY-KOLCDFICSA-N 1 3 191.278 1.634 10 0 ADAEHO C[C@@H]1CC[N@H+](CC2(C)CC2)CCCN1 235363128 344746485 /nfs/dbraw/zinc/74/64/85/344746485.db2.gz OYTDUOVTTONRJL-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC2(C)CC2)CCCN1 235363128 344746486 /nfs/dbraw/zinc/74/64/86/344746486.db2.gz OYTDUOVTTONRJL-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCN(CC2(C)CC2)CCC[NH2+]1 235363128 344746488 /nfs/dbraw/zinc/74/64/88/344746488.db2.gz OYTDUOVTTONRJL-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1(C)CC1 235394446 344747901 /nfs/dbraw/zinc/74/79/01/344747901.db2.gz QUDSQTFMQJAQBW-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1(C)CC1 235394446 344747904 /nfs/dbraw/zinc/74/79/04/344747904.db2.gz QUDSQTFMQJAQBW-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1(C)CC1 235394446 344747906 /nfs/dbraw/zinc/74/79/06/344747906.db2.gz QUDSQTFMQJAQBW-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](Nc2ccncc2)CC[NH2+]1 235412165 344749040 /nfs/dbraw/zinc/74/90/40/344749040.db2.gz BVRSEMLVTVWVQY-MWLCHTKSSA-N 1 3 191.278 1.634 10 0 ADAEHO C[C@@]1(NCC2([NH3+])CCC2)CCCOC1 235445330 344749766 /nfs/dbraw/zinc/74/97/66/344749766.db2.gz YQDPMFJMXRTXLG-SNVBAGLBSA-N 1 3 198.310 1.027 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](CC2(C)CC2)[C@@H]1C 235447775 344750054 /nfs/dbraw/zinc/75/00/54/344750054.db2.gz LHEUWESPXONTDB-AXFHLTTASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN(CC2(C)CC2)[C@@H]1C 235447775 344750055 /nfs/dbraw/zinc/75/00/55/344750055.db2.gz LHEUWESPXONTDB-AXFHLTTASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@]1(C[NH3+])CCN(c2ccncc2)C1 235441223 344750079 /nfs/dbraw/zinc/75/00/79/344750079.db2.gz XSUHYSPHIZXIFF-NSHDSACASA-N 1 3 191.278 1.257 10 0 ADAEHO C[C@H]([NH3+])[C@@H]1CCCN(C2CC2)C1 235498473 344752070 /nfs/dbraw/zinc/75/20/70/344752070.db2.gz XMZKWCUZOWHRAW-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]([NH3+])[C@H]1CCCN(C2CC2)C1 235498715 344752240 /nfs/dbraw/zinc/75/22/40/344752240.db2.gz XMZKWCUZOWHRAW-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCC[NH2+][C@@H]1CNC1CCCC1 235549243 344754061 /nfs/dbraw/zinc/75/40/61/344754061.db2.gz VOUYBDNBEFFREF-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@@]1(N)C[NH3+] 235559691 344755030 /nfs/dbraw/zinc/75/50/30/344755030.db2.gz BEIQYFSWXCVJIJ-IONNQARKSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)=CC[N@H+]1CCNCC[C@@H]1C 235567570 344755834 /nfs/dbraw/zinc/75/58/34/344755834.db2.gz GCTJTOOCMNPADE-NSHDSACASA-N 1 3 182.311 1.636 10 0 ADAEHO CC(C)=CC[N@@H+]1CCNCC[C@@H]1C 235567570 344755835 /nfs/dbraw/zinc/75/58/35/344755835.db2.gz GCTJTOOCMNPADE-NSHDSACASA-N 1 3 182.311 1.636 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1CC1(C)CC1 235579466 344756998 /nfs/dbraw/zinc/75/69/98/344756998.db2.gz QUDSQTFMQJAQBW-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1(C)CC1 235579466 344757000 /nfs/dbraw/zinc/75/70/00/344757000.db2.gz QUDSQTFMQJAQBW-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1CC1(C)CC1 235579466 344757001 /nfs/dbraw/zinc/75/70/01/344757001.db2.gz QUDSQTFMQJAQBW-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)=CC[N@H+]1CCCN[C@@H](C)C1 235579948 344757060 /nfs/dbraw/zinc/75/70/60/344757060.db2.gz UBNKOXMKKJSXNU-NSHDSACASA-N 1 3 182.311 1.636 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1C1CC1 235597258 344758321 /nfs/dbraw/zinc/75/83/21/344758321.db2.gz ZASVNSWPUPMVHV-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@@H](C[NH3+])CN1C1CC1 235597258 344758322 /nfs/dbraw/zinc/75/83/22/344758322.db2.gz ZASVNSWPUPMVHV-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC(C)(C)C[C@]1(N)C[NH3+] 235603967 344758911 /nfs/dbraw/zinc/75/89/11/344758911.db2.gz BEIQYFSWXCVJIJ-CBAPKCEASA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]CC2CNC2)CC1 235605639 344759237 /nfs/dbraw/zinc/75/92/37/344759237.db2.gz VHCSHDQWEAZTNG-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1C1CC1 235607419 344759378 /nfs/dbraw/zinc/75/93/78/344759378.db2.gz ZASVNSWPUPMVHV-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1C1CC1 235607419 344759379 /nfs/dbraw/zinc/75/93/79/344759379.db2.gz ZASVNSWPUPMVHV-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@H](C[NH3+])CN1C1CC1 235607419 344759381 /nfs/dbraw/zinc/75/93/81/344759381.db2.gz ZASVNSWPUPMVHV-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCN(C2CC2)C[C@@H]1C[NH3+] 235623424 344760093 /nfs/dbraw/zinc/76/00/93/344760093.db2.gz IHNHACJUUOPBTE-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CC2)C[C@@H]1CN 235623424 344760094 /nfs/dbraw/zinc/76/00/94/344760094.db2.gz IHNHACJUUOPBTE-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[N@H+](C2CC2)C[C@@H]1CN 235623424 344760096 /nfs/dbraw/zinc/76/00/96/344760096.db2.gz IHNHACJUUOPBTE-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[N@H+](CC2(C)CC2)CCCN1 235633720 344760598 /nfs/dbraw/zinc/76/05/98/344760598.db2.gz OYTDUOVTTONRJL-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2(C)CC2)CCCN1 235633720 344760600 /nfs/dbraw/zinc/76/06/00/344760600.db2.gz OYTDUOVTTONRJL-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCN(CC2(C)CC2)CCC[NH2+]1 235633720 344760601 /nfs/dbraw/zinc/76/06/01/344760601.db2.gz OYTDUOVTTONRJL-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CN(C2(C[NH3+])CC2)C[C@@H]1C 235638060 344761164 /nfs/dbraw/zinc/76/11/64/344761164.db2.gz SDWKSTUAHFMHEQ-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CN(C2(C[NH3+])CC2)C[C@@H]1C 235638235 344761178 /nfs/dbraw/zinc/76/11/78/344761178.db2.gz SDWKSTUAHFMHEQ-DTORHVGOSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1C[C@@H](Nc2ccncc2)CC[NH2+]1 235668679 344762127 /nfs/dbraw/zinc/76/21/27/344762127.db2.gz BVRSEMLVTVWVQY-ONGXEEELSA-N 1 3 191.278 1.634 10 0 ADAEHO C[C@H]1C[N@H+](CC2(C)CCC2)CC[C@@H]1N 235664170 344762167 /nfs/dbraw/zinc/76/21/67/344762167.db2.gz MOGLZXNTTHABGM-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1N 235664170 344762169 /nfs/dbraw/zinc/76/21/69/344762169.db2.gz MOGLZXNTTHABGM-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CN(CC2(C)CCC2)CC[C@@H]1[NH3+] 235664170 344762170 /nfs/dbraw/zinc/76/21/70/344762170.db2.gz MOGLZXNTTHABGM-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CN(CC2CCCC2)C[C@@H]1[NH3+] 235669236 344762251 /nfs/dbraw/zinc/76/22/51/344762251.db2.gz RNMZRCMRGDEUIE-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CN(CC2CCC2)C[C@@H]1[NH3+] 235669094 344762383 /nfs/dbraw/zinc/76/23/83/344762383.db2.gz XJYRTBKXYDPYQL-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CN(CCC2CC2)C[C@@H]1[NH3+] 235675610 344762933 /nfs/dbraw/zinc/76/29/33/344762933.db2.gz ANUIIYMVUBAMCJ-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1CC1(C)CC1 235683144 344762941 /nfs/dbraw/zinc/76/29/41/344762941.db2.gz QUDSQTFMQJAQBW-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1(C)CC1 235683144 344762942 /nfs/dbraw/zinc/76/29/42/344762942.db2.gz QUDSQTFMQJAQBW-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]CC2CNC2)CC1 235699338 344763650 /nfs/dbraw/zinc/76/36/50/344763650.db2.gz VHCSHDQWEAZTNG-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1C[C@H](Nc2ccncc2)CC[NH2+]1 235709488 344764014 /nfs/dbraw/zinc/76/40/14/344764014.db2.gz BVRSEMLVTVWVQY-GXSJLCMTSA-N 1 3 191.278 1.634 10 0 ADAEHO C[C@]1(C[NH3+])CCN(c2ccncc2)C1 235710312 344764034 /nfs/dbraw/zinc/76/40/34/344764034.db2.gz XSUHYSPHIZXIFF-LLVKDONJSA-N 1 3 191.278 1.257 10 0 ADAEHO [NH3+]C1(CNc2ccncc2)CCC1 236193467 344777108 /nfs/dbraw/zinc/77/71/08/344777108.db2.gz HBZKGKFFFPRVDT-UHFFFAOYSA-N 1 3 177.251 1.375 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CC[C@H]1CN 250521159 344835954 /nfs/dbraw/zinc/83/59/54/344835954.db2.gz SREGHSRENNUKQN-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CC[C@H]1CN 250521159 344835955 /nfs/dbraw/zinc/83/59/55/344835955.db2.gz SREGHSRENNUKQN-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)N(C)[C@H]1CC[C@H]1C[NH3+] 250521159 344835956 /nfs/dbraw/zinc/83/59/56/344835956.db2.gz SREGHSRENNUKQN-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)(CN)[NH+]1CCC2(CC1)CC2 238105188 344793069 /nfs/dbraw/zinc/79/30/69/344793069.db2.gz CXBYPDSRGRPEIJ-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 in-vitro ADAEHO CC(C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238153442 344794111 /nfs/dbraw/zinc/79/41/11/344794111.db2.gz WYUAHOLALRZJFC-JGPRNRPPSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238153442 344794114 /nfs/dbraw/zinc/79/41/14/344794114.db2.gz WYUAHOLALRZJFC-JGPRNRPPSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238153420 344794146 /nfs/dbraw/zinc/79/41/46/344794146.db2.gz WYUAHOLALRZJFC-RTCCRHLQSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238186650 344795452 /nfs/dbraw/zinc/79/54/52/344795452.db2.gz SUBBDRAVZCPWEL-ILWJIGKKSA-N 1 3 168.284 1.349 10 0 ADAEHO CC(C)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238186650 344795453 /nfs/dbraw/zinc/79/54/53/344795453.db2.gz SUBBDRAVZCPWEL-ILWJIGKKSA-N 1 3 168.284 1.349 10 0 ADAEHO CCN1CCC[C@@](C)(C[NH3+])C1 238233424 344796526 /nfs/dbraw/zinc/79/65/26/344796526.db2.gz PKNUNTQZAXDJNM-VIFPVBQESA-N 1 3 156.273 1.067 10 0 ADAEHO CCN1CCC[C@](C)(C[NH3+])C1 238237161 344796692 /nfs/dbraw/zinc/79/66/92/344796692.db2.gz PKNUNTQZAXDJNM-SECBINFHSA-N 1 3 156.273 1.067 10 0 ADAEHO CC[C@H]1C[C@H]([NH+](C)C)CCN1 238266288 344798006 /nfs/dbraw/zinc/79/80/06/344798006.db2.gz TUZVIHFKJQMHTB-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@]1([NH3+])CCN(C)[C@@H](C)C1 251296757 344851465 /nfs/dbraw/zinc/85/14/65/344851465.db2.gz SNJNRLIZUFHXDJ-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H]1C[C@@H]([NH+](C)C)CCN1 238279840 344798426 /nfs/dbraw/zinc/79/84/26/344798426.db2.gz TUZVIHFKJQMHTB-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@@H]1C[C@H]([NH+](C)C)CCN1 238282953 344798641 /nfs/dbraw/zinc/79/86/41/344798641.db2.gz TUZVIHFKJQMHTB-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@H]1C[C@@H]([NH+](C)C)CCN1 238320964 344800532 /nfs/dbraw/zinc/80/05/32/344800532.db2.gz TUZVIHFKJQMHTB-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CC2CCC1CC2 238423028 344805977 /nfs/dbraw/zinc/80/59/77/344805977.db2.gz VZDLQNUJDGTUTH-XNWIYYODSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H](N)C[N@H+]1CC2CCC1CC2 238423028 344805979 /nfs/dbraw/zinc/80/59/79/344805979.db2.gz VZDLQNUJDGTUTH-XNWIYYODSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)C[N@@H+]1CC2CCC1CC2 238421582 344806019 /nfs/dbraw/zinc/80/60/19/344806019.db2.gz VZDLQNUJDGTUTH-IDKOKCKLSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)C[N@H+]1CC2CCC1CC2 238421582 344806022 /nfs/dbraw/zinc/80/60/22/344806022.db2.gz VZDLQNUJDGTUTH-IDKOKCKLSA-N 1 3 168.284 1.208 10 0 ADAEHO Cc1cc(-n2cc[nH+]c2N)ccn1 238538721 344811530 /nfs/dbraw/zinc/81/15/30/344811530.db2.gz DDIKJWOIYSWEKW-UHFFFAOYSA-N 1 3 174.207 1.158 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](Nc2ccncc2)CC1 238689609 344819417 /nfs/dbraw/zinc/81/94/17/344819417.db2.gz WXNVEOBPAYBUHL-MGCOHNPYSA-N 1 3 191.278 1.763 10 0 ADAEHO C[N@H+]1CCc2cccc3c2[C@@H]1C[C@H]3N 248027483 344827490 /nfs/dbraw/zinc/82/74/90/344827490.db2.gz MOWNEHUHHXNLML-MNOVXSKESA-N 1 3 188.274 1.619 10 0 ADAEHO C[N@@H+]1CCc2cccc3c2[C@H]1C[C@H]3N 248027481 344827594 /nfs/dbraw/zinc/82/75/94/344827594.db2.gz MOWNEHUHHXNLML-GHMZBOCLSA-N 1 3 188.274 1.619 10 0 ADAEHO C[N@H+]1CCc2cccc3c2[C@H]1C[C@H]3N 248027481 344827597 /nfs/dbraw/zinc/82/75/97/344827597.db2.gz MOWNEHUHHXNLML-GHMZBOCLSA-N 1 3 188.274 1.619 10 0 ADAEHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCNC1 249878693 344827787 /nfs/dbraw/zinc/82/77/87/344827787.db2.gz FGDLRTHVXLDYSW-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCNC1 249878693 344827789 /nfs/dbraw/zinc/82/77/89/344827789.db2.gz FGDLRTHVXLDYSW-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCNC1 249878694 344828156 /nfs/dbraw/zinc/82/81/56/344828156.db2.gz FGDLRTHVXLDYSW-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCNC1 249878694 344828157 /nfs/dbraw/zinc/82/81/57/344828157.db2.gz FGDLRTHVXLDYSW-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH+](CC)[C@H]1C[C@H](C)N[C@H](C)C1 249952310 344828307 /nfs/dbraw/zinc/82/83/07/344828307.db2.gz KMUYOVQZMGCIRO-JGPRNRPPSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(CC)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 249952310 344828310 /nfs/dbraw/zinc/82/83/10/344828310.db2.gz KMUYOVQZMGCIRO-JGPRNRPPSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(C1CC1)[C@H]1CCC(C)(C)[C@H]1[NH3+] 249909827 344828321 /nfs/dbraw/zinc/82/83/21/344828321.db2.gz IGYPNWLPLSLDAE-QWRGUYRKSA-N 1 3 196.338 1.987 10 0 ADAEHO CCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 249960090 344828478 /nfs/dbraw/zinc/82/84/78/344828478.db2.gz JNTAYYOVWXSKOM-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCNC[C@H]1C 249918771 344828538 /nfs/dbraw/zinc/82/85/38/344828538.db2.gz KPZBXPGXDUWNLU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCNC[C@H]1C 249918771 344828542 /nfs/dbraw/zinc/82/85/42/344828542.db2.gz KPZBXPGXDUWNLU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 249960088 344828674 /nfs/dbraw/zinc/82/86/74/344828674.db2.gz JNTAYYOVWXSKOM-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(C1CC1)[C@@H]1CCC(C)(C)[C@H]1[NH3+] 249909825 344828697 /nfs/dbraw/zinc/82/86/97/344828697.db2.gz IGYPNWLPLSLDAE-MNOVXSKESA-N 1 3 196.338 1.987 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCNC[C@H]1C 249918774 344828737 /nfs/dbraw/zinc/82/87/37/344828737.db2.gz KPZBXPGXDUWNLU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCNC[C@H]1C 249918774 344828740 /nfs/dbraw/zinc/82/87/40/344828740.db2.gz KPZBXPGXDUWNLU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(C)[C@@H]1CCC(C)(C)[C@H]1[NH3+] 250058619 344829308 /nfs/dbraw/zinc/82/93/08/344829308.db2.gz OMFQWZHQCOJUCC-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCN(C)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] 249995012 344829432 /nfs/dbraw/zinc/82/94/32/344829432.db2.gz NPJADCXARKQFGR-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C)[C@H]1CCCC(C)(C)[C@H]1[NH3+] 249995008 344829473 /nfs/dbraw/zinc/82/94/73/344829473.db2.gz NPJADCXARKQFGR-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCN(C)[C@H]1CCC(C)(C)[C@H]1[NH3+] 250058622 344829539 /nfs/dbraw/zinc/82/95/39/344829539.db2.gz OMFQWZHQCOJUCC-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@H+](C)[C@H]1CCCC[C@H]1CN 250079798 344829930 /nfs/dbraw/zinc/82/99/30/344829930.db2.gz UEBQCLSYGSAHOL-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCCC[C@H]1CN 250079798 344829932 /nfs/dbraw/zinc/82/99/32/344829932.db2.gz UEBQCLSYGSAHOL-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(C)C[C@@H]1CCC(C)(C)[C@H]1[NH3+] 250087897 344829941 /nfs/dbraw/zinc/82/99/41/344829941.db2.gz WAXBHAWSLPLSEC-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](C)C[C@@H]1CCC(C)(C)[C@H]1N 250087897 344829942 /nfs/dbraw/zinc/82/99/42/344829942.db2.gz WAXBHAWSLPLSEC-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C)C[C@@H]1CCC(C)(C)[C@H]1N 250087897 344829943 /nfs/dbraw/zinc/82/99/43/344829943.db2.gz WAXBHAWSLPLSEC-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO CCN(C)C[C@@H]1CCCC[C@H]1[NH3+] 250103810 344830045 /nfs/dbraw/zinc/83/00/45/344830045.db2.gz ZXIJBRDSYKKKNK-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCCC[C@H]1CN 250079807 344830066 /nfs/dbraw/zinc/83/00/66/344830066.db2.gz UEBQCLSYGSAHOL-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCCC[C@H]1CN 250079807 344830068 /nfs/dbraw/zinc/83/00/68/344830068.db2.gz UEBQCLSYGSAHOL-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCC[C@H]1CN 250083694 344830078 /nfs/dbraw/zinc/83/00/78/344830078.db2.gz VBBOXWWWMNSAHV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCC[C@H]1CN 250083694 344830079 /nfs/dbraw/zinc/83/00/79/344830079.db2.gz VBBOXWWWMNSAHV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)[C@@H]1CCC[C@H]1C[NH3+] 250083694 344830081 /nfs/dbraw/zinc/83/00/81/344830081.db2.gz VBBOXWWWMNSAHV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C)C[C@H]1CCC(C)(C)[C@H]1[NH3+] 250087900 344830178 /nfs/dbraw/zinc/83/01/78/344830178.db2.gz WAXBHAWSLPLSEC-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](C)C[C@H]1CCC(C)(C)[C@H]1N 250087900 344830180 /nfs/dbraw/zinc/83/01/80/344830180.db2.gz WAXBHAWSLPLSEC-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C)C[C@H]1CCC(C)(C)[C@H]1N 250087900 344830182 /nfs/dbraw/zinc/83/01/82/344830182.db2.gz WAXBHAWSLPLSEC-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 250212862 344830642 /nfs/dbraw/zinc/83/06/42/344830642.db2.gz CULUXEMAMNOREK-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H]1C[C@H](C)N 250267483 344831634 /nfs/dbraw/zinc/83/16/34/344831634.db2.gz KQXSARUBYWMAPH-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[N@H+]1CCCC[C@@H]1C[C@H](C)N 250267483 344831635 /nfs/dbraw/zinc/83/16/35/344831635.db2.gz KQXSARUBYWMAPH-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCN1CCCC[C@@H]1C[C@H](C)[NH3+] 250267483 344831636 /nfs/dbraw/zinc/83/16/36/344831636.db2.gz KQXSARUBYWMAPH-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCCCC[C@H]1CN 250361298 344832036 /nfs/dbraw/zinc/83/20/36/344832036.db2.gz DRCXNAONTCWKSF-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1CN 250361298 344832041 /nfs/dbraw/zinc/83/20/41/344832041.db2.gz DRCXNAONTCWKSF-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO CN(C1CC1)[C@H]1CCCCC[C@H]1C[NH3+] 250361298 344832043 /nfs/dbraw/zinc/83/20/43/344832043.db2.gz DRCXNAONTCWKSF-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCCC[C@H]1N 250352412 344832298 /nfs/dbraw/zinc/83/22/98/344832298.db2.gz AVRXTXXXPHJLHM-NXEZZACHSA-N 1 3 168.284 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1N 250352412 344832299 /nfs/dbraw/zinc/83/22/99/344832299.db2.gz AVRXTXXXPHJLHM-NXEZZACHSA-N 1 3 168.284 1.351 10 0 ADAEHO CN(C[C@H]1CCCCC[C@H]1[NH3+])C1CC1 250368511 344832593 /nfs/dbraw/zinc/83/25/93/344832593.db2.gz GPUVRPVHPAWLRE-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CCC[C@H]1CN 250408559 344833117 /nfs/dbraw/zinc/83/31/17/344833117.db2.gz NKXMWVZIQURZDB-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CCC[C@H]1CN 250408559 344833120 /nfs/dbraw/zinc/83/31/20/344833120.db2.gz NKXMWVZIQURZDB-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCCC1)[C@H]1CC[C@H]1CN 250407437 344833134 /nfs/dbraw/zinc/83/31/34/344833134.db2.gz NGJJRQNTYFQUBE-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](C1CCCC1)[C@H]1CC[C@H]1CN 250407437 344833136 /nfs/dbraw/zinc/83/31/36/344833136.db2.gz NGJJRQNTYFQUBE-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCC[C@H]1CN 250378908 344833144 /nfs/dbraw/zinc/83/31/44/344833144.db2.gz IUZNJUSOBCVBJT-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCC[C@H]1CN 250378908 344833147 /nfs/dbraw/zinc/83/31/47/344833147.db2.gz IUZNJUSOBCVBJT-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CC1)[C@@H]1CCC[C@H]1C[NH3+] 250378908 344833150 /nfs/dbraw/zinc/83/31/50/344833150.db2.gz IUZNJUSOBCVBJT-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1[C@H]1CCCNC1 250383578 344833171 /nfs/dbraw/zinc/83/31/71/344833171.db2.gz XFNPKFKICDZHEC-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@H]1[C@H]1CCCNC1 250383578 344833175 /nfs/dbraw/zinc/83/31/75/344833175.db2.gz XFNPKFKICDZHEC-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CCC[C@H]1CN 250408564 344833187 /nfs/dbraw/zinc/83/31/87/344833187.db2.gz NKXMWVZIQURZDB-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CCC[C@H]1CN 250408564 344833189 /nfs/dbraw/zinc/83/31/89/344833189.db2.gz NKXMWVZIQURZDB-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCNC1 250383581 344833410 /nfs/dbraw/zinc/83/34/10/344833410.db2.gz XFNPKFKICDZHEC-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1[C@H]1CCCNC1 250383581 344833411 /nfs/dbraw/zinc/83/34/11/344833411.db2.gz XFNPKFKICDZHEC-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CN(C[C@H]1CCCC[C@H]1[NH3+])C1CC1 250422699 344833774 /nfs/dbraw/zinc/83/37/74/344833774.db2.gz PNQJONKXUZRGAF-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1CN 250511978 344835069 /nfs/dbraw/zinc/83/50/69/344835069.db2.gz PBADDIXPGQOSCE-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCCC[C@H]1CN 250511978 344835068 /nfs/dbraw/zinc/83/50/68/344835068.db2.gz PBADDIXPGQOSCE-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)C[C@@]1(C)CCC[C@H]1N 250506404 344835091 /nfs/dbraw/zinc/83/50/91/344835091.db2.gz NIDDYOPRRSRUBO-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@]1(C)CCC[C@H]1N 250506404 344835093 /nfs/dbraw/zinc/83/50/93/344835093.db2.gz NIDDYOPRRSRUBO-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)N(C)C[C@@]1(C)CCC[C@H]1[NH3+] 250506404 344835094 /nfs/dbraw/zinc/83/50/94/344835094.db2.gz NIDDYOPRRSRUBO-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)C[C@]1(C)CCC[C@H]1N 250506409 344835249 /nfs/dbraw/zinc/83/52/49/344835249.db2.gz NIDDYOPRRSRUBO-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)C[C@]1(C)CCC[C@H]1N 250506409 344835252 /nfs/dbraw/zinc/83/52/52/344835252.db2.gz NIDDYOPRRSRUBO-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)N(C)C[C@]1(C)CCC[C@H]1[NH3+] 250506409 344835254 /nfs/dbraw/zinc/83/52/54/344835254.db2.gz NIDDYOPRRSRUBO-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1CN 250511981 344835316 /nfs/dbraw/zinc/83/53/16/344835316.db2.gz PBADDIXPGQOSCE-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1CN 250511981 344835318 /nfs/dbraw/zinc/83/53/18/344835318.db2.gz PBADDIXPGQOSCE-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCC[C@H]1CN 250522388 344835645 /nfs/dbraw/zinc/83/56/45/344835645.db2.gz TYGKHQIMSGVOLN-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCC[C@H]1CN 250522388 344835648 /nfs/dbraw/zinc/83/56/48/344835648.db2.gz TYGKHQIMSGVOLN-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCC[C@H]1CN 250522384 344835691 /nfs/dbraw/zinc/83/56/91/344835691.db2.gz TYGKHQIMSGVOLN-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCC[C@H]1CN 250522384 344835694 /nfs/dbraw/zinc/83/56/94/344835694.db2.gz TYGKHQIMSGVOLN-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CC[C@H]1CN 250521155 344835878 /nfs/dbraw/zinc/83/58/78/344835878.db2.gz SREGHSRENNUKQN-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@H]1CN 250521155 344835880 /nfs/dbraw/zinc/83/58/80/344835880.db2.gz SREGHSRENNUKQN-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[C@H]1C[NH3+] 250521155 344835882 /nfs/dbraw/zinc/83/58/82/344835882.db2.gz SREGHSRENNUKQN-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 250532887 344835898 /nfs/dbraw/zinc/83/58/98/344835898.db2.gz XRZOARASXXZSEJ-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CN1CC[C@@H]([C@@H]([NH3+])C2CCCC2)C1 250603599 344836837 /nfs/dbraw/zinc/83/68/37/344836837.db2.gz KRHLXPUJKVUNMK-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CC[C@H]([C@@H]([NH3+])C2CCCC2)C1 250603601 344836881 /nfs/dbraw/zinc/83/68/81/344836881.db2.gz KRHLXPUJKVUNMK-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C 250597560 344837071 /nfs/dbraw/zinc/83/70/71/344837071.db2.gz DIGXQUUNGYRLKM-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[NH2+][C@H]1CCN(C(C)C)C[C@H]1C 250597562 344837121 /nfs/dbraw/zinc/83/71/21/344837121.db2.gz DIGXQUUNGYRLKM-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 250656511 344838889 /nfs/dbraw/zinc/83/88/89/344838889.db2.gz OCBBZIATXMGLBY-ZRUFSTJUSA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 250656511 344838891 /nfs/dbraw/zinc/83/88/91/344838891.db2.gz OCBBZIATXMGLBY-ZRUFSTJUSA-N 1 3 180.295 1.066 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 250696473 344839601 /nfs/dbraw/zinc/83/96/01/344839601.db2.gz BNBZOLCUBNNMMJ-OPRDCNLKSA-N 1 3 168.284 1.127 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 250696471 344839606 /nfs/dbraw/zinc/83/96/06/344839606.db2.gz BNBZOLCUBNNMMJ-IVZWLZJFSA-N 1 3 168.284 1.127 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]2CCCC[C@H]2N1 250692467 344839671 /nfs/dbraw/zinc/83/96/71/344839671.db2.gz AHDJKCMHVZAZKT-GARJFASQSA-N 1 3 182.311 1.517 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]2CCCC[C@H]2N1 250692470 344839722 /nfs/dbraw/zinc/83/97/22/344839722.db2.gz AHDJKCMHVZAZKT-OUAUKWLOSA-N 1 3 182.311 1.517 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 250699702 344839953 /nfs/dbraw/zinc/83/99/53/344839953.db2.gz CLBGZPGXXDOHOJ-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 250699702 344839954 /nfs/dbraw/zinc/83/99/54/344839954.db2.gz CLBGZPGXXDOHOJ-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]1[C@H]1CCCNC1 250726059 344839984 /nfs/dbraw/zinc/83/99/84/344839984.db2.gz HRVMOHQIZIRLND-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]1[C@H]1CCCNC1 250726059 344839987 /nfs/dbraw/zinc/83/99/87/344839987.db2.gz HRVMOHQIZIRLND-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 250699705 344840024 /nfs/dbraw/zinc/84/00/24/344840024.db2.gz CLBGZPGXXDOHOJ-HBNTYKKESA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 250699705 344840026 /nfs/dbraw/zinc/84/00/26/344840026.db2.gz CLBGZPGXXDOHOJ-HBNTYKKESA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]1[C@H]1CCCNC1 250726055 344840044 /nfs/dbraw/zinc/84/00/44/344840044.db2.gz HRVMOHQIZIRLND-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]1[C@H]1CCCNC1 250726055 344840045 /nfs/dbraw/zinc/84/00/45/344840045.db2.gz HRVMOHQIZIRLND-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@@H]1CCC[C@H]1N 250786405 344840880 /nfs/dbraw/zinc/84/08/80/344840880.db2.gz GIIJVZPRQMHCPY-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@@H]1CCC[C@H]1N 250786405 344840881 /nfs/dbraw/zinc/84/08/81/344840881.db2.gz GIIJVZPRQMHCPY-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@@H]1CC[C@H]1CN 250780668 344840901 /nfs/dbraw/zinc/84/09/01/344840901.db2.gz CSQHULQPTGCSTM-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@@H]1CC[C@H]1CN 250780668 344840903 /nfs/dbraw/zinc/84/09/03/344840903.db2.gz CSQHULQPTGCSTM-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+](C[C@H]2CCC[C@H]2N)C1 250787375 344840953 /nfs/dbraw/zinc/84/09/53/344840953.db2.gz GUEXCTBRJBAYBV-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[N@@H+](C[C@H]2CCC[C@H]2N)C1 250787375 344840955 /nfs/dbraw/zinc/84/09/55/344840955.db2.gz GUEXCTBRJBAYBV-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@H]1CCC[C@H]1N 250786401 344840965 /nfs/dbraw/zinc/84/09/65/344840965.db2.gz GIIJVZPRQMHCPY-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@H]1CCC[C@H]1N 250786401 344840967 /nfs/dbraw/zinc/84/09/67/344840967.db2.gz GIIJVZPRQMHCPY-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@@H]1CCCC[C@H]1[C@H]1CCC[NH2+]1 250786606 344840981 /nfs/dbraw/zinc/84/09/81/344840981.db2.gz ZOYUPRLQYCXEMZ-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@H]1CC[C@H]1CN 250780667 344841070 /nfs/dbraw/zinc/84/10/70/344841070.db2.gz CSQHULQPTGCSTM-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@H]1CC[C@H]1CN 250780667 344841071 /nfs/dbraw/zinc/84/10/71/344841071.db2.gz CSQHULQPTGCSTM-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CC[C@H]2CN)C1 250779647 344841099 /nfs/dbraw/zinc/84/10/99/344841099.db2.gz BZQFYZAGZJAXPS-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CC[C@H]2CN)C1 250779647 344841101 /nfs/dbraw/zinc/84/11/01/344841101.db2.gz BZQFYZAGZJAXPS-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CC[C@H]2CN)C1 250779644 344841112 /nfs/dbraw/zinc/84/11/12/344841112.db2.gz BZQFYZAGZJAXPS-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CC[C@H]2CN)C1 250779644 344841115 /nfs/dbraw/zinc/84/11/15/344841115.db2.gz BZQFYZAGZJAXPS-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CN[C@@H]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 250786611 344841127 /nfs/dbraw/zinc/84/11/27/344841127.db2.gz ZOYUPRLQYCXEMZ-HBNTYKKESA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)CCC[N@@H+]([C@@H]2CC[C@H]2CN)C1 250789447 344841344 /nfs/dbraw/zinc/84/13/44/344841344.db2.gz HUPSRRZHVKNKIC-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[N@H+]([C@@H]2CC[C@H]2CN)C1 250789447 344841346 /nfs/dbraw/zinc/84/13/46/344841346.db2.gz HUPSRRZHVKNKIC-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCCN([C@@H]2CC[C@H]2C[NH3+])C1 250789447 344841347 /nfs/dbraw/zinc/84/13/47/344841347.db2.gz HUPSRRZHVKNKIC-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[N@@H+]([C@H]2CC[C@H]2CN)C1 250789441 344841515 /nfs/dbraw/zinc/84/15/15/344841515.db2.gz HUPSRRZHVKNKIC-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[N@H+]([C@H]2CC[C@H]2CN)C1 250789441 344841516 /nfs/dbraw/zinc/84/15/16/344841516.db2.gz HUPSRRZHVKNKIC-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCCN([C@H]2CC[C@H]2C[NH3+])C1 250789441 344841517 /nfs/dbraw/zinc/84/15/17/344841517.db2.gz HUPSRRZHVKNKIC-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CC[N@H+]2[C@H]1CCNC1 250860050 344842325 /nfs/dbraw/zinc/84/23/25/344842325.db2.gz QDGRMZIXGUXBOC-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CC[N@@H+]2[C@H]1CCNC1 250860050 344842327 /nfs/dbraw/zinc/84/23/27/344842327.db2.gz QDGRMZIXGUXBOC-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CCN2[C@H]1CC[NH2+]C1 250860050 344842328 /nfs/dbraw/zinc/84/23/28/344842328.db2.gz QDGRMZIXGUXBOC-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CCCN([C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 250865891 344842344 /nfs/dbraw/zinc/84/23/44/344842344.db2.gz RICIRBWQUDNABU-URLYPYJESA-N 1 3 180.295 1.080 10 0 ADAEHO CC[C@@H](CN)[N@@H+]1CCSC[C@H]1C 251065175 344845558 /nfs/dbraw/zinc/84/55/58/344845558.db2.gz IPWWIUPHHDSVKE-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](CN)[N@H+]1CCSC[C@H]1C 251065175 344845561 /nfs/dbraw/zinc/84/55/61/344845561.db2.gz IPWWIUPHHDSVKE-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[NH2+]C[C@@H]1CCN([C@H]2CC2(C)C)C1 251103267 344847030 /nfs/dbraw/zinc/84/70/30/344847030.db2.gz AQVYEEYAUATALR-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@H]1CCC[C@H]1[NH3+] 251105656 344847560 /nfs/dbraw/zinc/84/75/60/344847560.db2.gz BHOZLIVMTBDRSM-AEJSXWLSSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1N 251105656 344847562 /nfs/dbraw/zinc/84/75/62/344847562.db2.gz BHOZLIVMTBDRSM-AEJSXWLSSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@H]1CCC[C@H]1[NH3+] 251105658 344847629 /nfs/dbraw/zinc/84/76/29/344847629.db2.gz BHOZLIVMTBDRSM-BBBLOLIVSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1N 251105658 344847631 /nfs/dbraw/zinc/84/76/31/344847631.db2.gz BHOZLIVMTBDRSM-BBBLOLIVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H](CC[NH3+])N1CCC[C@H]2CCC[C@H]21 251159261 344848649 /nfs/dbraw/zinc/84/86/49/344848649.db2.gz BZTQFLYAXWANEE-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[C@]1([NH3+])CCN2CCC[C@H]1C2 251158707 344848691 /nfs/dbraw/zinc/84/86/91/344848691.db2.gz OEAQNQIZDNOLIO-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCCC[C@H]1[C@H]1CCCC[NH2+]1 251211629 344849627 /nfs/dbraw/zinc/84/96/27/344849627.db2.gz LJSKXZFRFDQWMX-GMTAPVOTSA-N 1 3 182.311 1.646 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 251211631 344849662 /nfs/dbraw/zinc/84/96/62/344849662.db2.gz LJSKXZFRFDQWMX-HBNTYKKESA-N 1 3 182.311 1.646 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@H](N)C[C@H]1C 251250102 344850585 /nfs/dbraw/zinc/85/05/85/344850585.db2.gz JZWFBGIVMKMLJO-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@H](N)C[C@H]1C 251250102 344850586 /nfs/dbraw/zinc/85/05/86/344850586.db2.gz JZWFBGIVMKMLJO-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@@H+]1CC[C@@H](N)C[C@H]1C 251250097 344850658 /nfs/dbraw/zinc/85/06/58/344850658.db2.gz JZWFBGIVMKMLJO-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@H+]1CC[C@@H](N)C[C@H]1C 251250097 344850661 /nfs/dbraw/zinc/85/06/61/344850661.db2.gz JZWFBGIVMKMLJO-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@](C)([NH3+])CN1CCC[C@H]1C 251260101 344850876 /nfs/dbraw/zinc/85/08/76/344850876.db2.gz LEOKGZCAADFHFP-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@H]2CCCC[C@H]21 251269944 344850978 /nfs/dbraw/zinc/85/09/78/344850978.db2.gz XJCSHBWHUVSWEC-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@H]2CCCC[C@H]21 251269944 344850979 /nfs/dbraw/zinc/85/09/79/344850979.db2.gz XJCSHBWHUVSWEC-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@](C)([NH3+])CN1CCC[C@H]1C 251260098 344851011 /nfs/dbraw/zinc/85/10/11/344851011.db2.gz LEOKGZCAADFHFP-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H](C)C(C)C)C1 251334426 344852253 /nfs/dbraw/zinc/85/22/53/344852253.db2.gz PAILYCLLTICZQH-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H](C)C(C)C)C1 251334426 344852255 /nfs/dbraw/zinc/85/22/55/344852255.db2.gz PAILYCLLTICZQH-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@H]1CC[C@@H](N)C1 251364600 344852650 /nfs/dbraw/zinc/85/26/50/344852650.db2.gz WCCUCNIAOOUZHC-AXFHLTTASA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](N)C1 251364600 344852652 /nfs/dbraw/zinc/85/26/52/344852652.db2.gz WCCUCNIAOOUZHC-AXFHLTTASA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@H+](C)[C@H]1CC[C@H](N)C1 251364602 344852749 /nfs/dbraw/zinc/85/27/49/344852749.db2.gz WCCUCNIAOOUZHC-DCAQKATOSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[C@H](N)C1 251364602 344852751 /nfs/dbraw/zinc/85/27/51/344852751.db2.gz WCCUCNIAOOUZHC-DCAQKATOSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@@H](N)C[C@H]1C 251384123 344853281 /nfs/dbraw/zinc/85/32/81/344853281.db2.gz WREQHRONXPLSGV-HBNTYKKESA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@@H](N)C[C@H]1C 251384123 344853282 /nfs/dbraw/zinc/85/32/82/344853282.db2.gz WREQHRONXPLSGV-HBNTYKKESA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C 251384123 344853283 /nfs/dbraw/zinc/85/32/83/344853283.db2.gz WREQHRONXPLSGV-HBNTYKKESA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)[N@@H+]1CC[C@H](N)C[C@H]1C 251384120 344853352 /nfs/dbraw/zinc/85/33/52/344853352.db2.gz WREQHRONXPLSGV-AXFHLTTASA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)[N@H+]1CC[C@H](N)C[C@H]1C 251384120 344853353 /nfs/dbraw/zinc/85/33/53/344853353.db2.gz WREQHRONXPLSGV-AXFHLTTASA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C 251384120 344853354 /nfs/dbraw/zinc/85/33/54/344853354.db2.gz WREQHRONXPLSGV-AXFHLTTASA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H]1CN 251463872 344854566 /nfs/dbraw/zinc/85/45/66/344854566.db2.gz ZISIQOGUHNKFCT-WOPDTQHZSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]1CN 251463872 344854567 /nfs/dbraw/zinc/85/45/67/344854567.db2.gz ZISIQOGUHNKFCT-WOPDTQHZSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H]1CN 251463865 344854552 /nfs/dbraw/zinc/85/45/52/344854552.db2.gz ZISIQOGUHNKFCT-SDDRHHMPSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]1CN 251463865 344854553 /nfs/dbraw/zinc/85/45/53/344854553.db2.gz ZISIQOGUHNKFCT-SDDRHHMPSA-N 1 3 196.338 1.844 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@@H+]2CC[C@H](C)C2)C1 251525062 344855681 /nfs/dbraw/zinc/85/56/81/344855681.db2.gz AISCZRIFOXUADW-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@H]([N@H+]2CC[C@H](C)C2)C1 251525062 344855682 /nfs/dbraw/zinc/85/56/82/344855682.db2.gz AISCZRIFOXUADW-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H](C)C2)C1 251525049 344855794 /nfs/dbraw/zinc/85/57/94/344855794.db2.gz AISCZRIFOXUADW-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([N@H+]2CC[C@H](C)C2)C1 251525049 344855796 /nfs/dbraw/zinc/85/57/96/344855796.db2.gz AISCZRIFOXUADW-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](N1C[C@@H]2C[NH2+]C[C@H]2C1)C1(C)CC1 251519604 344855871 /nfs/dbraw/zinc/85/58/71/344855871.db2.gz JHLNAQPHRXEOKS-DCAQKATOSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](N)C2)C1 251523308 344855948 /nfs/dbraw/zinc/85/59/48/344855948.db2.gz AFYCQVZNIBMDHB-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](N)C2)C1 251523308 344855951 /nfs/dbraw/zinc/85/59/51/344855951.db2.gz AFYCQVZNIBMDHB-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](N)C2)C1 251523321 344855964 /nfs/dbraw/zinc/85/59/64/344855964.db2.gz AFYCQVZNIBMDHB-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](N)C2)C1 251523321 344855967 /nfs/dbraw/zinc/85/59/67/344855967.db2.gz AFYCQVZNIBMDHB-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2CN)C1 251540769 344856299 /nfs/dbraw/zinc/85/62/99/344856299.db2.gz BLHVYDMAKAKBMB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2CN)C1 251540769 344856302 /nfs/dbraw/zinc/85/63/02/344856302.db2.gz BLHVYDMAKAKBMB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2CN)C1 251540787 344856363 /nfs/dbraw/zinc/85/63/63/344856363.db2.gz BLHVYDMAKAKBMB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2CN)C1 251540787 344856366 /nfs/dbraw/zinc/85/63/66/344856366.db2.gz BLHVYDMAKAKBMB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H](C)CCN)C1 251536661 344856473 /nfs/dbraw/zinc/85/64/73/344856473.db2.gz BDQKSRSASCQQOZ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H](C)CCN)C1 251536661 344856475 /nfs/dbraw/zinc/85/64/75/344856475.db2.gz BDQKSRSASCQQOZ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2CN)C1 251540781 344856652 /nfs/dbraw/zinc/85/66/52/344856652.db2.gz BLHVYDMAKAKBMB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2CN)C1 251540781 344856656 /nfs/dbraw/zinc/85/66/56/344856656.db2.gz BLHVYDMAKAKBMB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)(C)C)C[C@H]1C 251563821 344857543 /nfs/dbraw/zinc/85/75/43/344857543.db2.gz BTEMHVQTZPXBGD-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C(C)(C)C)C[C@H]1C 251563821 344857545 /nfs/dbraw/zinc/85/75/45/344857545.db2.gz BTEMHVQTZPXBGD-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@@H]1CC[N@H+](C(C)(C)C)C[C@H]1C 251563821 344857548 /nfs/dbraw/zinc/85/75/48/344857548.db2.gz BTEMHVQTZPXBGD-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CCN(c2ccncc2)C[C@H]1[NH3+] 251565312 344857597 /nfs/dbraw/zinc/85/75/97/344857597.db2.gz DATIARSXYYJRDW-GXSJLCMTSA-N 1 3 191.278 1.255 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](C)NC[C@H](C)C1 251563019 344857622 /nfs/dbraw/zinc/85/76/22/344857622.db2.gz CWUPOZZRUCIXNE-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](C)NC[C@H](C)C1 251563019 344857625 /nfs/dbraw/zinc/85/76/25/344857625.db2.gz CWUPOZZRUCIXNE-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)C[C@H]1C 251554265 344857669 /nfs/dbraw/zinc/85/76/69/344857669.db2.gz BCSSDEZPWYPUSH-HBUVQDDESA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@@H]1CN([C@H](C)C2CC2)CCC[NH2+]1 251559164 344857709 /nfs/dbraw/zinc/85/77/09/344857709.db2.gz BKSGZKGAMCHBAB-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1CN([C@H](C)C2CC2)CCC[NH2+]1 251559159 344857736 /nfs/dbraw/zinc/85/77/36/344857736.db2.gz BKSGZKGAMCHBAB-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCNC[C@H]2C)C1 251554516 344857754 /nfs/dbraw/zinc/85/77/54/344857754.db2.gz CINOQYYQPCWTKY-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCNC[C@H]2C)C1 251554516 344857757 /nfs/dbraw/zinc/85/77/57/344857757.db2.gz CINOQYYQPCWTKY-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](C)NC[C@H](C)C1 251563011 344857768 /nfs/dbraw/zinc/85/77/68/344857768.db2.gz CWUPOZZRUCIXNE-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](C)NC[C@H](C)C1 251563011 344857770 /nfs/dbraw/zinc/85/77/70/344857770.db2.gz CWUPOZZRUCIXNE-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H]1C 251557846 344857813 /nfs/dbraw/zinc/85/78/13/344857813.db2.gz AEXDHIJZAKJVHU-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN(c2ccncc2)C[C@H]1[NH3+] 251565319 344857817 /nfs/dbraw/zinc/85/78/17/344857817.db2.gz DATIARSXYYJRDW-MWLCHTKSSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)C[C@H]1C 251554261 344857850 /nfs/dbraw/zinc/85/78/50/344857850.db2.gz BCSSDEZPWYPUSH-GRGSRKJBSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H]2CN)C1 251563720 344857856 /nfs/dbraw/zinc/85/78/56/344857856.db2.gz AKMNIGANJSWNIB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@H]2CC[C@H]2CN)C1 251563720 344857857 /nfs/dbraw/zinc/85/78/57/344857857.db2.gz AKMNIGANJSWNIB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H]2CN)C1 251563700 344857902 /nfs/dbraw/zinc/85/79/02/344857902.db2.gz AKMNIGANJSWNIB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H]2CN)C1 251563700 344857903 /nfs/dbraw/zinc/85/79/03/344857903.db2.gz AKMNIGANJSWNIB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCNC[C@H]2C)C1 251554530 344857935 /nfs/dbraw/zinc/85/79/35/344857935.db2.gz CINOQYYQPCWTKY-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCNC[C@H]2C)C1 251554530 344857936 /nfs/dbraw/zinc/85/79/36/344857936.db2.gz CINOQYYQPCWTKY-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CC[C@@H](C)C1 251554543 344857995 /nfs/dbraw/zinc/85/79/95/344857995.db2.gz CINOQYYQPCWTKY-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CC[C@@H](C)C1 251554543 344857996 /nfs/dbraw/zinc/85/79/96/344857996.db2.gz CINOQYYQPCWTKY-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]2CN)C1 251563710 344858004 /nfs/dbraw/zinc/85/80/04/344858004.db2.gz AKMNIGANJSWNIB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]2CN)C1 251563710 344858006 /nfs/dbraw/zinc/85/80/06/344858006.db2.gz AKMNIGANJSWNIB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CCC[C@H]1C 251557836 344858044 /nfs/dbraw/zinc/85/80/44/344858044.db2.gz AEXDHIJZAKJVHU-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CCC[C@H]1C 251557836 344858045 /nfs/dbraw/zinc/85/80/45/344858045.db2.gz AEXDHIJZAKJVHU-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C)C1 251566517 344858298 /nfs/dbraw/zinc/85/82/98/344858298.db2.gz AMZBVCRDOQFSLN-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C)C1 251566517 344858300 /nfs/dbraw/zinc/85/83/00/344858300.db2.gz AMZBVCRDOQFSLN-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCC[C@H](N)C2)C1 251568378 344858443 /nfs/dbraw/zinc/85/84/43/344858443.db2.gz DERMVFAKZXACNO-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCC[C@H](N)C2)C1 251568378 344858447 /nfs/dbraw/zinc/85/84/47/344858447.db2.gz DERMVFAKZXACNO-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](N)C2)C1 251568364 344858515 /nfs/dbraw/zinc/85/85/15/344858515.db2.gz DERMVFAKZXACNO-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H](N)C2)C1 251568364 344858517 /nfs/dbraw/zinc/85/85/17/344858517.db2.gz DERMVFAKZXACNO-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C)C1 251566507 344858683 /nfs/dbraw/zinc/85/86/83/344858683.db2.gz AMZBVCRDOQFSLN-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C)C1 251566507 344858685 /nfs/dbraw/zinc/85/86/85/344858685.db2.gz AMZBVCRDOQFSLN-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@H]1CCCNCC1 251583801 344859313 /nfs/dbraw/zinc/85/93/13/344859313.db2.gz BCCWTAXNYLULHF-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@H]1CCCNCC1 251583801 344859314 /nfs/dbraw/zinc/85/93/14/344859314.db2.gz BCCWTAXNYLULHF-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](N)C2)C1 251582089 344859364 /nfs/dbraw/zinc/85/93/64/344859364.db2.gz BAXRGMISMFSZEX-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CCCNCC1 251583796 344859450 /nfs/dbraw/zinc/85/94/50/344859450.db2.gz BCCWTAXNYLULHF-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CCCNCC1 251583796 344859451 /nfs/dbraw/zinc/85/94/51/344859451.db2.gz BCCWTAXNYLULHF-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](N)C2)C1 251582086 344859513 /nfs/dbraw/zinc/85/95/13/344859513.db2.gz BAXRGMISMFSZEX-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](N)C2)C1 251582086 344859515 /nfs/dbraw/zinc/85/95/15/344859515.db2.gz BAXRGMISMFSZEX-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C2CCC2)CC[C@H]1[NH3+] 251595302 344859972 /nfs/dbraw/zinc/85/99/72/344859972.db2.gz CXMVGGSELJODPM-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCC2)CC[C@H]1N 251595302 344859974 /nfs/dbraw/zinc/85/99/74/344859974.db2.gz CXMVGGSELJODPM-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCC2)CC[C@H]1N 251595302 344859976 /nfs/dbraw/zinc/85/99/76/344859976.db2.gz CXMVGGSELJODPM-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1C[N@@H+](C2CCCC2)CC[C@H]1N 251593129 344859991 /nfs/dbraw/zinc/85/99/91/344859991.db2.gz CTKYCLGNYGBTKH-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@H]1C[N@H+](C2CCCC2)CC[C@H]1N 251593129 344859993 /nfs/dbraw/zinc/85/99/93/344859993.db2.gz CTKYCLGNYGBTKH-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CN(C2CCC2)CC[C@H]1[NH3+] 251595307 344860022 /nfs/dbraw/zinc/86/00/22/344860022.db2.gz CXMVGGSELJODPM-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCC2)CC[C@H]1N 251595307 344860024 /nfs/dbraw/zinc/86/00/24/344860024.db2.gz CXMVGGSELJODPM-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@H+](C2CCC2)CC[C@H]1N 251595307 344860028 /nfs/dbraw/zinc/86/00/28/344860028.db2.gz CXMVGGSELJODPM-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C)C1 251597969 344860040 /nfs/dbraw/zinc/86/00/40/344860040.db2.gz GBHCVSFXDJEGFA-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](C)C1 251597969 344860042 /nfs/dbraw/zinc/86/00/42/344860042.db2.gz GBHCVSFXDJEGFA-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](C)C1 251597963 344860209 /nfs/dbraw/zinc/86/02/09/344860209.db2.gz GBHCVSFXDJEGFA-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](C)C1 251597963 344860210 /nfs/dbraw/zinc/86/02/10/344860210.db2.gz GBHCVSFXDJEGFA-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[N@@H+](C2CCCC2)CC[C@H]1N 251593136 344860219 /nfs/dbraw/zinc/86/02/19/344860219.db2.gz CTKYCLGNYGBTKH-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1N 251593136 344860220 /nfs/dbraw/zinc/86/02/20/344860220.db2.gz CTKYCLGNYGBTKH-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1CN 251602028 344860424 /nfs/dbraw/zinc/86/04/24/344860424.db2.gz GHZZWQWJVHDYCS-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1CN 251602028 344860426 /nfs/dbraw/zinc/86/04/26/344860426.db2.gz GHZZWQWJVHDYCS-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCCC[C@@H]1CN 251602020 344860437 /nfs/dbraw/zinc/86/04/37/344860437.db2.gz GHZZWQWJVHDYCS-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@@H]1CN 251602020 344860439 /nfs/dbraw/zinc/86/04/39/344860439.db2.gz GHZZWQWJVHDYCS-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCCC[C@H]1CN 251602037 344860567 /nfs/dbraw/zinc/86/05/67/344860567.db2.gz GHZZWQWJVHDYCS-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@H]1CN 251602037 344860570 /nfs/dbraw/zinc/86/05/70/344860570.db2.gz GHZZWQWJVHDYCS-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[N@H+](CC(C)(C)[C@H](C)N)C1 251613522 344861315 /nfs/dbraw/zinc/86/13/15/344861315.db2.gz HBAFCCBRZCFVTR-UWVGGRQHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@H](C)CC[C@H]1C 251626796 344861876 /nfs/dbraw/zinc/86/18/76/344861876.db2.gz DPAHXVHZGWDBRU-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@H](C)CC[C@H]1C 251626796 344861878 /nfs/dbraw/zinc/86/18/78/344861878.db2.gz DPAHXVHZGWDBRU-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+](C[C@H](C)CN)C1 251626802 344861914 /nfs/dbraw/zinc/86/19/14/344861914.db2.gz DPAHXVHZGWDBRU-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+](C[C@H](C)CN)C1 251626802 344861917 /nfs/dbraw/zinc/86/19/17/344861917.db2.gz DPAHXVHZGWDBRU-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1C[C@H](C)CN 251626807 344862063 /nfs/dbraw/zinc/86/20/63/344862063.db2.gz DPAHXVHZGWDBRU-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H](C)CN 251626807 344862067 /nfs/dbraw/zinc/86/20/67/344862067.db2.gz DPAHXVHZGWDBRU-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CCN1[C@H](C)[C@@H]1CCC[NH2+]C1 251636803 344862501 /nfs/dbraw/zinc/86/25/01/344862501.db2.gz IVGAIEOMSOAXFF-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H](C)[C@@H]1CCCNC1 251636803 344862504 /nfs/dbraw/zinc/86/25/04/344862504.db2.gz IVGAIEOMSOAXFF-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H](C)[C@@H]1CCCNC1 251636803 344862505 /nfs/dbraw/zinc/86/25/05/344862505.db2.gz IVGAIEOMSOAXFF-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@@H]1N1CCC[NH2+][C@H](C)CC1 251648477 344862673 /nfs/dbraw/zinc/86/26/73/344862673.db2.gz JTLZNIDQCSNVDZ-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+](C[C@H]2CCCCN2)C1 251643729 344862738 /nfs/dbraw/zinc/86/27/38/344862738.db2.gz GCDCIMQIJDHNJI-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C[C@H]2CCCCN2)C1 251643729 344862740 /nfs/dbraw/zinc/86/27/40/344862740.db2.gz GCDCIMQIJDHNJI-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCN([C@H]2C[C@H]2C)CCC[NH2+]1 251648484 344862853 /nfs/dbraw/zinc/86/28/53/344862853.db2.gz JTLZNIDQCSNVDZ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H]1CC[N@H+](C[C@H]2CCCCN2)C1 251643728 344862905 /nfs/dbraw/zinc/86/29/05/344862905.db2.gz GCDCIMQIJDHNJI-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@@H+](C[C@H]2CCCCN2)C1 251643728 344862906 /nfs/dbraw/zinc/86/29/06/344862906.db2.gz GCDCIMQIJDHNJI-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCN1[C@H](C)[C@H]1CCC[NH2+]C1 251636807 344862918 /nfs/dbraw/zinc/86/29/18/344862918.db2.gz IVGAIEOMSOAXFF-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H](C)[C@H]1CCCNC1 251636807 344862919 /nfs/dbraw/zinc/86/29/19/344862919.db2.gz IVGAIEOMSOAXFF-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H](C)[C@H]1CCCNC1 251636807 344862920 /nfs/dbraw/zinc/86/29/20/344862920.db2.gz IVGAIEOMSOAXFF-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@H]1CCC[NH2+]C1)N1CC[C@H]1C 251636808 344862926 /nfs/dbraw/zinc/86/29/26/344862926.db2.gz IVGAIEOMSOAXFF-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@H]1CCCNC1)[N@@H+]1CC[C@H]1C 251636808 344862927 /nfs/dbraw/zinc/86/29/27/344862927.db2.gz IVGAIEOMSOAXFF-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@H]1CCCNC1)[N@H+]1CC[C@H]1C 251636808 344862929 /nfs/dbraw/zinc/86/29/29/344862929.db2.gz IVGAIEOMSOAXFF-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN([C@@H]2C[C@H]2C)CCC[NH2+]1 251648481 344862980 /nfs/dbraw/zinc/86/29/80/344862980.db2.gz JTLZNIDQCSNVDZ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN([C@@H]2C[C@H]2C)CC[C@@H](C)[NH2+]1 251650831 344863297 /nfs/dbraw/zinc/86/32/97/344863297.db2.gz JYSMUQAKKVULIO-DDHJBXDOSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H]1CC[C@@](N)(C[NH3+])C[C@H]1C 251658948 344863428 /nfs/dbraw/zinc/86/34/28/344863428.db2.gz FXZUJSBSNLCVFD-HLTSFMKQSA-N 1 3 156.273 1.099 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CCCC2)C[C@H]1C 251657903 344863458 /nfs/dbraw/zinc/86/34/58/344863458.db2.gz GSDTVSSCUCXNJO-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2CCCC2)C[C@H]1C 251657903 344863461 /nfs/dbraw/zinc/86/34/61/344863461.db2.gz GSDTVSSCUCXNJO-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2CCCC2)C[C@H]1C 251657903 344863465 /nfs/dbraw/zinc/86/34/65/344863465.db2.gz GSDTVSSCUCXNJO-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2CN)C1 251656030 344863562 /nfs/dbraw/zinc/86/35/62/344863562.db2.gz GTPCCROVJQVZNT-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2CN)C1 251656030 344863564 /nfs/dbraw/zinc/86/35/64/344863564.db2.gz GTPCCROVJQVZNT-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@](N)(C[NH3+])C[C@H]1C 251658950 344863641 /nfs/dbraw/zinc/86/36/41/344863641.db2.gz FXZUJSBSNLCVFD-IWSPIJDZSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2CN)C1 251656033 344863660 /nfs/dbraw/zinc/86/36/60/344863660.db2.gz GTPCCROVJQVZNT-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2CN)C1 251656033 344863662 /nfs/dbraw/zinc/86/36/62/344863662.db2.gz GTPCCROVJQVZNT-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[NH2+]CCCN([C@H]2CC2(C)C)C1 251649692 344863723 /nfs/dbraw/zinc/86/37/23/344863723.db2.gz GHZIQXHBKQGXSU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@@H+]([C@H]2CC2(C)C)C1 251649692 344863725 /nfs/dbraw/zinc/86/37/25/344863725.db2.gz GHZIQXHBKQGXSU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@H+]([C@H]2CC2(C)C)C1 251649692 344863726 /nfs/dbraw/zinc/86/37/26/344863726.db2.gz GHZIQXHBKQGXSU-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+]([C@H]2CC2(C)C)C1 251649689 344863802 /nfs/dbraw/zinc/86/38/02/344863802.db2.gz GHZIQXHBKQGXSU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2CN)C1 251656028 344863772 /nfs/dbraw/zinc/86/37/72/344863772.db2.gz GTPCCROVJQVZNT-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2CN)C1 251656028 344863775 /nfs/dbraw/zinc/86/37/75/344863775.db2.gz GTPCCROVJQVZNT-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[NH2+]CCCN([C@H]2CC2(C)C)C1 251649689 344863799 /nfs/dbraw/zinc/86/37/99/344863799.db2.gz GHZIQXHBKQGXSU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@H+]([C@H]2CC2(C)C)C1 251649689 344863805 /nfs/dbraw/zinc/86/38/05/344863805.db2.gz GHZIQXHBKQGXSU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCN(CC[C@H]2CCC[NH2+]2)C1 251668626 344864200 /nfs/dbraw/zinc/86/42/00/344864200.db2.gz LKKISQBZTZUBJS-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCN(CC[C@H]2CCC[NH2+]2)C1 251668628 344864464 /nfs/dbraw/zinc/86/44/64/344864464.db2.gz LKKISQBZTZUBJS-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CCC2)C[C@H]1C 251661609 344864516 /nfs/dbraw/zinc/86/45/16/344864516.db2.gz GWZIFFNRFXBTSB-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H]([NH2+]C2CC(N)C2)C1 251681012 344865682 /nfs/dbraw/zinc/86/56/82/344865682.db2.gz ALDQSOMBSABBMZ-NWBXKSJZSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1CCN1C1C[C@@H]2CC[C@H](C1)[NH2+]2 251680582 344865709 /nfs/dbraw/zinc/86/57/09/344865709.db2.gz MKBVDHDNZCGEDO-NFLHVTIKSA-N 1 3 180.295 1.364 10 0 ADAEHO C[C@H]1CCN1C1C[C@@H]2CC[C@H](C1)[NH2+]2 251680581 344865731 /nfs/dbraw/zinc/86/57/31/344865731.db2.gz MKBVDHDNZCGEDO-GKDVJIACSA-N 1 3 180.295 1.364 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H]2CCCCNC2)C1 251684190 344865831 /nfs/dbraw/zinc/86/58/31/344865831.db2.gz MRLZHQLSZNPAJT-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H]2CCCCNC2)C1 251684190 344865833 /nfs/dbraw/zinc/86/58/33/344865833.db2.gz MRLZHQLSZNPAJT-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCCCNC2)C1 251684187 344865861 /nfs/dbraw/zinc/86/58/61/344865861.db2.gz MRLZHQLSZNPAJT-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCCCNC2)C1 251684187 344865863 /nfs/dbraw/zinc/86/58/63/344865863.db2.gz MRLZHQLSZNPAJT-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CN(c2ccncc2)CC[C@H]1[NH3+] 251690777 344866269 /nfs/dbraw/zinc/86/62/69/344866269.db2.gz IHPKGEAYDVRGMK-MWLCHTKSSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H]2CN)C1 251703663 344867034 /nfs/dbraw/zinc/86/70/34/344867034.db2.gz OGXSWHXEYMIUCA-BBBLOLIVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2CN)C1 251703663 344867035 /nfs/dbraw/zinc/86/70/35/344867035.db2.gz OGXSWHXEYMIUCA-BBBLOLIVSA-N 1 3 168.284 1.066 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H](C)C1 251702672 344867046 /nfs/dbraw/zinc/86/70/46/344867046.db2.gz OETNBEQQAVFWJE-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](C)C1 251702672 344867048 /nfs/dbraw/zinc/86/70/48/344867048.db2.gz OETNBEQQAVFWJE-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2CN)C1 251703665 344867187 /nfs/dbraw/zinc/86/71/87/344867187.db2.gz OGXSWHXEYMIUCA-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC[C@H]2CN)C1 251703665 344867191 /nfs/dbraw/zinc/86/71/91/344867191.db2.gz OGXSWHXEYMIUCA-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]([NH3+])CCN1CCSC[C@H]1C 251701046 344867235 /nfs/dbraw/zinc/86/72/35/344867235.db2.gz IWJBNDBCUYHILS-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2CN)C1 251703664 344867383 /nfs/dbraw/zinc/86/73/83/344867383.db2.gz OGXSWHXEYMIUCA-KXUCPTDWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2CN)C1 251703664 344867387 /nfs/dbraw/zinc/86/73/87/344867387.db2.gz OGXSWHXEYMIUCA-KXUCPTDWSA-N 1 3 168.284 1.066 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CC[C@H](C)C1 251702674 344867466 /nfs/dbraw/zinc/86/74/66/344867466.db2.gz OETNBEQQAVFWJE-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CC[C@H](C)C1 251702674 344867469 /nfs/dbraw/zinc/86/74/69/344867469.db2.gz OETNBEQQAVFWJE-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H](N)CC[NH+]1C[C@@H](C)C[C@H](C)C1 251707988 344868029 /nfs/dbraw/zinc/86/80/29/344868029.db2.gz BNJBPLNHRPWIBO-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2C[C@H]2C)CCN1 251722110 344868490 /nfs/dbraw/zinc/86/84/90/344868490.db2.gz KALJQZCWYBORRV-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2C[C@H]2C)CCN1 251722110 344868492 /nfs/dbraw/zinc/86/84/92/344868492.db2.gz KALJQZCWYBORRV-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 251722031 344868561 /nfs/dbraw/zinc/86/85/61/344868561.db2.gz ZDIQGLFXAQNRKW-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 251722031 344868565 /nfs/dbraw/zinc/86/85/65/344868565.db2.gz ZDIQGLFXAQNRKW-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2C)CCN1 251722101 344868639 /nfs/dbraw/zinc/86/86/39/344868639.db2.gz KALJQZCWYBORRV-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2C[C@@H]2C)CCN1 251722101 344868642 /nfs/dbraw/zinc/86/86/42/344868642.db2.gz KALJQZCWYBORRV-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C)CCN1 251722105 344868856 /nfs/dbraw/zinc/86/88/56/344868856.db2.gz KALJQZCWYBORRV-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)CCN1 251722105 344868860 /nfs/dbraw/zinc/86/88/60/344868860.db2.gz KALJQZCWYBORRV-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCCC[C@H]1N 251732317 344869375 /nfs/dbraw/zinc/86/93/75/344869375.db2.gz QQCXDTONDCLBRY-BBBLOLIVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@H]1N 251732317 344869377 /nfs/dbraw/zinc/86/93/77/344869377.db2.gz QQCXDTONDCLBRY-BBBLOLIVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCCC[C@@H]1N 251732321 344869420 /nfs/dbraw/zinc/86/94/20/344869420.db2.gz QQCXDTONDCLBRY-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@@H]1N 251732321 344869422 /nfs/dbraw/zinc/86/94/22/344869422.db2.gz QQCXDTONDCLBRY-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H]2CC2(C)C)CCN1 251744926 344869792 /nfs/dbraw/zinc/86/97/92/344869792.db2.gz RTBALRDVDCONDU-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H]2CC2(C)C)CCN1 251744926 344869794 /nfs/dbraw/zinc/86/97/94/344869794.db2.gz RTBALRDVDCONDU-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCC[C@H]1CN 251744712 344870021 /nfs/dbraw/zinc/87/00/21/344870021.db2.gz RSFNIHXDGOHKNX-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[NH2+]CCN([C@H](C)C2CC2)C1 251743410 344870072 /nfs/dbraw/zinc/87/00/72/344870072.db2.gz KYMJCGLCVCZEHH-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC2(C)C)CCN1 251744932 344870176 /nfs/dbraw/zinc/87/01/76/344870176.db2.gz RTBALRDVDCONDU-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC2(C)C)CCN1 251744932 344870178 /nfs/dbraw/zinc/87/01/78/344870178.db2.gz RTBALRDVDCONDU-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@H]1CN 251744706 344870210 /nfs/dbraw/zinc/87/02/10/344870210.db2.gz RSFNIHXDGOHKNX-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@H]1CN 251744706 344870214 /nfs/dbraw/zinc/87/02/14/344870214.db2.gz RSFNIHXDGOHKNX-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCC[C@@H]1CN 251744701 344870237 /nfs/dbraw/zinc/87/02/37/344870237.db2.gz RSFNIHXDGOHKNX-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCC[C@@H]1CN 251744701 344870241 /nfs/dbraw/zinc/87/02/41/344870241.db2.gz RSFNIHXDGOHKNX-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](N)C2)C1 251750923 344870671 /nfs/dbraw/zinc/87/06/71/344870671.db2.gz LJFHHPIFFJBOBU-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](N)C2)C1 251750923 344870673 /nfs/dbraw/zinc/87/06/73/344870673.db2.gz LJFHHPIFFJBOBU-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](N)C2)C1 251750925 344870865 /nfs/dbraw/zinc/87/08/65/344870865.db2.gz LJFHHPIFFJBOBU-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CC[C@H](N)C2)C1 251750925 344870867 /nfs/dbraw/zinc/87/08/67/344870867.db2.gz LJFHHPIFFJBOBU-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CCCNC[C@H](C)C1 251749941 344870910 /nfs/dbraw/zinc/87/09/10/344870910.db2.gz LGZGKWJJOAWIFL-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CCCNC[C@H](C)C1 251749941 344870912 /nfs/dbraw/zinc/87/09/12/344870912.db2.gz LGZGKWJJOAWIFL-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCNC[C@@H]1C 251774567 344872442 /nfs/dbraw/zinc/87/24/42/344872442.db2.gz IPXQKVJVHBXFEY-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCNC[C@@H]1C 251774567 344872443 /nfs/dbraw/zinc/87/24/43/344872443.db2.gz IPXQKVJVHBXFEY-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H](CC[NH3+])N1CCSC[C@H]1C 251774631 344872619 /nfs/dbraw/zinc/87/26/19/344872619.db2.gz MPAWDKJIDREKHA-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+]1CC[C@H](C)C1 251777954 344872656 /nfs/dbraw/zinc/87/26/56/344872656.db2.gz VVQUSLYYFWSLKR-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+]1CC[C@H](C)C1 251777954 344872658 /nfs/dbraw/zinc/87/26/58/344872658.db2.gz VVQUSLYYFWSLKR-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+]1CC[C@H](C)C1 251777955 344872668 /nfs/dbraw/zinc/87/26/68/344872668.db2.gz VVQUSLYYFWSLKR-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+]1CC[C@H](C)C1 251777955 344872670 /nfs/dbraw/zinc/87/26/70/344872670.db2.gz VVQUSLYYFWSLKR-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CCC[C@@]1(N)C[NH3+] 251775420 344872747 /nfs/dbraw/zinc/87/27/47/344872747.db2.gz KXMFRBRTGLTBEP-HRDYMLBCSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CCC2)C[C@H]1N 251777993 344872767 /nfs/dbraw/zinc/87/27/67/344872767.db2.gz VWRSVFNKOKXVKN-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[N@H+](C2CCC2)C[C@H]1N 251777993 344872770 /nfs/dbraw/zinc/87/27/70/344872770.db2.gz VWRSVFNKOKXVKN-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CCNC[C@H]1C 251774570 344872802 /nfs/dbraw/zinc/87/28/02/344872802.db2.gz IPXQKVJVHBXFEY-OUAUKWLOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CCNC[C@H]1C 251774570 344872804 /nfs/dbraw/zinc/87/28/04/344872804.db2.gz IPXQKVJVHBXFEY-OUAUKWLOSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CCC2)C[C@H]1N 251777992 344872815 /nfs/dbraw/zinc/87/28/15/344872815.db2.gz VWRSVFNKOKXVKN-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CCC2)C[C@H]1N 251777992 344872817 /nfs/dbraw/zinc/87/28/17/344872817.db2.gz VWRSVFNKOKXVKN-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCNC[C@H]1C 251774573 344872871 /nfs/dbraw/zinc/87/28/71/344872871.db2.gz IPXQKVJVHBXFEY-VWYCJHECSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCNC[C@H]1C 251774573 344872872 /nfs/dbraw/zinc/87/28/72/344872872.db2.gz IPXQKVJVHBXFEY-VWYCJHECSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1[C@H](C)CCC[C@]1(N)C[NH3+] 251775428 344872936 /nfs/dbraw/zinc/87/29/36/344872936.db2.gz KXMFRBRTGLTBEP-VGMNWLOBSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@H]1C[C@H]([NH+](C)C)C[C@@H](C)N1 251798008 344873812 /nfs/dbraw/zinc/87/38/12/344873812.db2.gz GFDSIANBKATBQV-AYMMMOKOSA-N 1 3 156.273 1.077 10 0 ADAEHO C[C@@H]1CCN(C[C@H]2C[NH2+]C[C@@H]2C)C1 251794013 344873833 /nfs/dbraw/zinc/87/38/33/344873833.db2.gz XHLQFFYAZLVRJW-OUAUKWLOSA-N 1 3 182.311 1.184 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H](C)CC)CCN1 251793338 344874024 /nfs/dbraw/zinc/87/40/24/344874024.db2.gz NRYITMZMGGGUGQ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H](C)CC)CCN1 251793338 344874026 /nfs/dbraw/zinc/87/40/26/344874026.db2.gz NRYITMZMGGGUGQ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CCN([C@H](C)CC)CC[NH2+]1 251793338 344874027 /nfs/dbraw/zinc/87/40/27/344874027.db2.gz NRYITMZMGGGUGQ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CCN([C@H]2CC2(C)C)CCC[NH2+]1 251804733 344874486 /nfs/dbraw/zinc/87/44/86/344874486.db2.gz YGDHXJHDKQYJPL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC2(C)C)CCCN1 251804733 344874487 /nfs/dbraw/zinc/87/44/87/344874487.db2.gz YGDHXJHDKQYJPL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC2(C)C)CCCN1 251804733 344874489 /nfs/dbraw/zinc/87/44/89/344874489.db2.gz YGDHXJHDKQYJPL-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@@H]2C[C@H]2C)CCCN1 251805797 344874543 /nfs/dbraw/zinc/87/45/43/344874543.db2.gz OIDFWMVJWUVDBM-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@@H]2C[C@H]2C)CCCN1 251805797 344874544 /nfs/dbraw/zinc/87/45/44/344874544.db2.gz OIDFWMVJWUVDBM-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC2(C)C)CC[C@H]1N 251806468 344874570 /nfs/dbraw/zinc/87/45/70/344874570.db2.gz OFVDVNJKMNKISH-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC2(C)C)CC[C@H]1N 251806468 344874573 /nfs/dbraw/zinc/87/45/73/344874573.db2.gz OFVDVNJKMNKISH-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@H]2C[C@H]2C)CCCN1 251805799 344874641 /nfs/dbraw/zinc/87/46/41/344874641.db2.gz OIDFWMVJWUVDBM-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@H]2C[C@H]2C)CCCN1 251805799 344874643 /nfs/dbraw/zinc/87/46/43/344874643.db2.gz OIDFWMVJWUVDBM-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C)C2)C1 251812273 344874653 /nfs/dbraw/zinc/87/46/53/344874653.db2.gz YXAJWSRXXJUSLH-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C)C2)C1 251812273 344874655 /nfs/dbraw/zinc/87/46/55/344874655.db2.gz YXAJWSRXXJUSLH-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)C[C@H]1C 251809480 344874667 /nfs/dbraw/zinc/87/46/67/344874667.db2.gz OJSLQPHTVXWJSQ-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](N)C1 251812721 344874673 /nfs/dbraw/zinc/87/46/73/344874673.db2.gz OSFOULWHCWPPLE-MXWKQRLJSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](N)C1 251812721 344874675 /nfs/dbraw/zinc/87/46/75/344874675.db2.gz OSFOULWHCWPPLE-MXWKQRLJSA-N 1 3 182.311 1.741 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C)C2)C1 251812271 344874740 /nfs/dbraw/zinc/87/47/40/344874740.db2.gz YXAJWSRXXJUSLH-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)C2)C1 251812271 344874742 /nfs/dbraw/zinc/87/47/42/344874742.db2.gz YXAJWSRXXJUSLH-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@H]([N@H+]2CC[C@@H](C)C2)CN1 251807113 344874753 /nfs/dbraw/zinc/87/47/53/344874753.db2.gz YLLAKCSMWLWGRQ-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](N)C1 251812717 344874768 /nfs/dbraw/zinc/87/47/68/344874768.db2.gz OSFOULWHCWPPLE-AXFHLTTASA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](N)C1 251812717 344874770 /nfs/dbraw/zinc/87/47/70/344874770.db2.gz OSFOULWHCWPPLE-AXFHLTTASA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H]2CC2(C)C)CC[C@@H]1N 251806469 344874790 /nfs/dbraw/zinc/87/47/90/344874790.db2.gz OFVDVNJKMNKISH-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H]2CC2(C)C)CC[C@@H]1N 251806469 344874791 /nfs/dbraw/zinc/87/47/91/344874791.db2.gz OFVDVNJKMNKISH-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)NC2)C1 251807110 344874862 /nfs/dbraw/zinc/87/48/62/344874862.db2.gz YLLAKCSMWLWGRQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)NC2)C1 251807110 344874864 /nfs/dbraw/zinc/87/48/64/344874864.db2.gz YLLAKCSMWLWGRQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCN([C@H]2CC2(C)C)CCC[NH2+]1 251804736 344874901 /nfs/dbraw/zinc/87/49/01/344874901.db2.gz YGDHXJHDKQYJPL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H]2CC2(C)C)CCCN1 251804736 344874902 /nfs/dbraw/zinc/87/49/02/344874902.db2.gz YGDHXJHDKQYJPL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H]2CC2(C)C)CCCN1 251804736 344874903 /nfs/dbraw/zinc/87/49/03/344874903.db2.gz YGDHXJHDKQYJPL-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H]2CC2(C)C)CC[C@H]1N 251806467 344874920 /nfs/dbraw/zinc/87/49/20/344874920.db2.gz OFVDVNJKMNKISH-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H]2CC2(C)C)CC[C@H]1N 251806467 344874922 /nfs/dbraw/zinc/87/49/22/344874922.db2.gz OFVDVNJKMNKISH-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H](C)C2CC2)CCCN1 251815723 344875118 /nfs/dbraw/zinc/87/51/18/344875118.db2.gz ZFNDOWYWIFKARX-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)CCCN1 251815723 344875122 /nfs/dbraw/zinc/87/51/22/344875122.db2.gz ZFNDOWYWIFKARX-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCC[NH2+]C1 251819545 344875184 /nfs/dbraw/zinc/87/51/84/344875184.db2.gz ZPJJTFQDHGDFSL-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H]2CCCNCC2)C1 251818730 344875265 /nfs/dbraw/zinc/87/52/65/344875265.db2.gz ZOTAIFXDSGSWKO-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H]2CCCNCC2)C1 251818730 344875267 /nfs/dbraw/zinc/87/52/67/344875267.db2.gz ZOTAIFXDSGSWKO-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCCNCC2)C1 251818727 344875317 /nfs/dbraw/zinc/87/53/17/344875317.db2.gz ZOTAIFXDSGSWKO-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCCNCC2)C1 251818727 344875319 /nfs/dbraw/zinc/87/53/19/344875319.db2.gz ZOTAIFXDSGSWKO-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCN1C[C@H]1CCC[NH2+]C1 251819543 344875415 /nfs/dbraw/zinc/87/54/15/344875415.db2.gz ZPJJTFQDHGDFSL-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)=CCN1CC[C@@H]([NH3+])[C@H](C)C1 251832782 344875740 /nfs/dbraw/zinc/87/57/40/344875740.db2.gz PRRQJCGXNBWETH-GHMZBOCLSA-N 1 3 182.311 1.622 10 0 ADAEHO CC[C@@H](C)N1CC[C@](C)([NH3+])C1 251844076 344876477 /nfs/dbraw/zinc/87/64/77/344876477.db2.gz LXNZAXFFVAKAKT-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@H]([NH3+])C2)C[C@H]1C 251848460 344876643 /nfs/dbraw/zinc/87/66/43/344876643.db2.gz OTSJBYNORMRUEK-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C)CN1 251847977 344876712 /nfs/dbraw/zinc/87/67/12/344876712.db2.gz OSMBXWSSGHOJEN-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C)CN1 251847977 344876714 /nfs/dbraw/zinc/87/67/14/344876714.db2.gz OSMBXWSSGHOJEN-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO CC[C@H](C)N1CC[C@](C)([NH3+])C1 251844078 344876775 /nfs/dbraw/zinc/87/67/75/344876775.db2.gz LXNZAXFFVAKAKT-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)[C@@H](C)C1 251861668 344877103 /nfs/dbraw/zinc/87/71/03/344877103.db2.gz OMQUEIYVGGIWGW-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1C[N@@H+](C2(C)CCCC2)CC[C@H]1N 251865672 344877716 /nfs/dbraw/zinc/87/77/16/344877716.db2.gz SWFJFZUOLVGXDQ-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[N@H+](C2(C)CCCC2)CC[C@H]1N 251865672 344877718 /nfs/dbraw/zinc/87/77/18/344877718.db2.gz SWFJFZUOLVGXDQ-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H]1N 251872431 344877731 /nfs/dbraw/zinc/87/77/31/344877731.db2.gz UMQIOXROCRYAFE-IJLUTSLNSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H](C)C(C)C)C[C@@H]1C 251868786 344877754 /nfs/dbraw/zinc/87/77/54/344877754.db2.gz TWBJISYWKAXJSW-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN([C@H](C)C(C)C)C[C@@H]1C 251868786 344877761 /nfs/dbraw/zinc/87/77/61/344877761.db2.gz TWBJISYWKAXJSW-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1C[N@@H+](C2(C)CCCC2)CC[C@H]1N 251865673 344878094 /nfs/dbraw/zinc/87/80/94/344878094.db2.gz SWFJFZUOLVGXDQ-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[N@H+](C2(C)CCCC2)CC[C@H]1N 251865673 344878097 /nfs/dbraw/zinc/87/80/97/344878097.db2.gz SWFJFZUOLVGXDQ-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C[C@H]1C 251868784 344878202 /nfs/dbraw/zinc/87/82/02/344878202.db2.gz TWBJISYWKAXJSW-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H](C)C(C)C)C[C@H]1C 251868784 344878207 /nfs/dbraw/zinc/87/82/07/344878207.db2.gz TWBJISYWKAXJSW-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN([C@@H](C)C(C)C)C[C@H]1C 251868784 344878211 /nfs/dbraw/zinc/87/82/11/344878211.db2.gz TWBJISYWKAXJSW-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@H]1N 251872432 344878289 /nfs/dbraw/zinc/87/82/89/344878289.db2.gz UMQIOXROCRYAFE-QJPTWQEYSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H]1N 251872433 344878314 /nfs/dbraw/zinc/87/83/14/344878314.db2.gz UMQIOXROCRYAFE-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@@H]1N 251872433 344878316 /nfs/dbraw/zinc/87/83/16/344878316.db2.gz UMQIOXROCRYAFE-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H](C)C(C)C)C[C@H]1C 251868785 344878326 /nfs/dbraw/zinc/87/83/26/344878326.db2.gz TWBJISYWKAXJSW-IJLUTSLNSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H](C)C(C)C)C[C@H]1C 251868785 344878327 /nfs/dbraw/zinc/87/83/27/344878327.db2.gz TWBJISYWKAXJSW-IJLUTSLNSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN([C@H](C)C(C)C)C[C@H]1C 251868785 344878328 /nfs/dbraw/zinc/87/83/28/344878328.db2.gz TWBJISYWKAXJSW-IJLUTSLNSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H](C)C2CC2)CC[C@@H]1N 251888181 344878674 /nfs/dbraw/zinc/87/86/74/344878674.db2.gz VHZNXOBGOXDWJA-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CC[C@@H]1N 251888181 344878677 /nfs/dbraw/zinc/87/86/77/344878677.db2.gz VHZNXOBGOXDWJA-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN([C@H](C)C2CC2)CC[C@@H]1[NH3+] 251888181 344878678 /nfs/dbraw/zinc/87/86/78/344878678.db2.gz VHZNXOBGOXDWJA-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@H]1C[N@@H+](C2CCC2)CC[C@H]1N 251883861 344878720 /nfs/dbraw/zinc/87/87/20/344878720.db2.gz VKXMIEZYHHLBMU-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1C[N@H+](C2CCC2)CC[C@H]1N 251883861 344878721 /nfs/dbraw/zinc/87/87/21/344878721.db2.gz VKXMIEZYHHLBMU-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CN(C2CCC2)CC[C@H]1[NH3+] 251883861 344878725 /nfs/dbraw/zinc/87/87/25/344878725.db2.gz VKXMIEZYHHLBMU-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H](C)C2CC2)CC[C@H]1N 251888179 344878783 /nfs/dbraw/zinc/87/87/83/344878783.db2.gz VHZNXOBGOXDWJA-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CC[C@H]1N 251888179 344878784 /nfs/dbraw/zinc/87/87/84/344878784.db2.gz VHZNXOBGOXDWJA-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN([C@H](C)C2CC2)CC[C@H]1[NH3+] 251888179 344878786 /nfs/dbraw/zinc/87/87/86/344878786.db2.gz VHZNXOBGOXDWJA-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2CN)C[C@@H]1C 251884497 344878829 /nfs/dbraw/zinc/87/88/29/344878829.db2.gz VBNFOCFYTGWJGW-ZRUFSTJUSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](N)[C@H](C)C1 251888183 344878921 /nfs/dbraw/zinc/87/89/21/344878921.db2.gz VHZNXOBGOXDWJA-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H](C1CC1)[N@H+]1CC[C@@H](N)[C@H](C)C1 251888183 344878922 /nfs/dbraw/zinc/87/89/22/344878922.db2.gz VHZNXOBGOXDWJA-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H](C1CC1)N1CC[C@@H]([NH3+])[C@H](C)C1 251888183 344878924 /nfs/dbraw/zinc/87/89/24/344878924.db2.gz VHZNXOBGOXDWJA-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CC[C@H]2CN)C[C@H]1C 251884495 344878958 /nfs/dbraw/zinc/87/89/58/344878958.db2.gz VBNFOCFYTGWJGW-CHWFTXMASA-N 1 3 182.311 1.312 10 0 ADAEHO CC[C@@H]1C[N@@H+](C2CCC2)CC[C@H]1N 251883862 344878970 /nfs/dbraw/zinc/87/89/70/344878970.db2.gz VKXMIEZYHHLBMU-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1C[N@H+](C2CCC2)CC[C@H]1N 251883862 344878973 /nfs/dbraw/zinc/87/89/73/344878973.db2.gz VKXMIEZYHHLBMU-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CN(C2CCC2)CC[C@H]1[NH3+] 251883862 344878975 /nfs/dbraw/zinc/87/89/75/344878975.db2.gz VKXMIEZYHHLBMU-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CCC2)C[C@H]1C 251878205 344879042 /nfs/dbraw/zinc/87/90/42/344879042.db2.gz UOPYDJYSQJFTQP-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1C 251878205 344879044 /nfs/dbraw/zinc/87/90/44/344879044.db2.gz UOPYDJYSQJFTQP-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1C 251878205 344879046 /nfs/dbraw/zinc/87/90/46/344879046.db2.gz UOPYDJYSQJFTQP-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[N@H+](CC(C)(C)C)CC[C@H]1N 251891136 344879185 /nfs/dbraw/zinc/87/91/85/344879185.db2.gz VOFNCSCKQYGLDX-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[N@@H+](CC(C)(C)C)CC[C@H]1N 251891136 344879186 /nfs/dbraw/zinc/87/91/86/344879186.db2.gz VOFNCSCKQYGLDX-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CN(CC(C)(C)C)CC[C@H]1[NH3+] 251891136 344879189 /nfs/dbraw/zinc/87/91/89/344879189.db2.gz VOFNCSCKQYGLDX-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[N@H+](CC(C)(C)C)CC[C@H]1N 251891137 344879223 /nfs/dbraw/zinc/87/92/23/344879223.db2.gz VOFNCSCKQYGLDX-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[N@@H+](CC(C)(C)C)CC[C@H]1N 251891137 344879226 /nfs/dbraw/zinc/87/92/26/344879226.db2.gz VOFNCSCKQYGLDX-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CN(CC(C)(C)C)CC[C@H]1[NH3+] 251891137 344879230 /nfs/dbraw/zinc/87/92/30/344879230.db2.gz VOFNCSCKQYGLDX-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@H](N)C2)C1 251903568 344879283 /nfs/dbraw/zinc/87/92/83/344879283.db2.gz XBOPPEGAFNXINB-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCC[C@H](N)C2)C1 251903568 344879285 /nfs/dbraw/zinc/87/92/85/344879285.db2.gz XBOPPEGAFNXINB-WOPDTQHZSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCCCC2)CC[C@H]1N 251901267 344879355 /nfs/dbraw/zinc/87/93/55/344879355.db2.gz WJVLROWHAJQXFL-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[N@H+](C2CCCCC2)CC[C@H]1N 251901267 344879358 /nfs/dbraw/zinc/87/93/58/344879358.db2.gz WJVLROWHAJQXFL-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](N)C2)C1 251903567 344879608 /nfs/dbraw/zinc/87/96/08/344879608.db2.gz XBOPPEGAFNXINB-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H](N)C2)C1 251903567 344879611 /nfs/dbraw/zinc/87/96/11/344879611.db2.gz XBOPPEGAFNXINB-UTUOFQBUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@H]1N 251901270 344879647 /nfs/dbraw/zinc/87/96/47/344879647.db2.gz WJVLROWHAJQXFL-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCCCC2)CC[C@H]1N 251901270 344879649 /nfs/dbraw/zinc/87/96/49/344879649.db2.gz WJVLROWHAJQXFL-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CSCCN1CC[C@@H]([NH3+])[C@H](C)C1 251908005 344879852 /nfs/dbraw/zinc/87/98/52/344879852.db2.gz WYJMSZZREJPCLU-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1CC[C@@H](N)C1 251915045 344879920 /nfs/dbraw/zinc/87/99/20/344879920.db2.gz UHKYQRBDRHBAKC-KXNHARMFSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 251915167 344879942 /nfs/dbraw/zinc/87/99/42/344879942.db2.gz XMKPZYDZYKGJHW-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](N)[C@H](C)C1 251915167 344879943 /nfs/dbraw/zinc/87/99/43/344879943.db2.gz XMKPZYDZYKGJHW-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H]1CC[C@H](N)C1 251915046 344880234 /nfs/dbraw/zinc/88/02/34/344880234.db2.gz UHKYQRBDRHBAKC-RHYQMDGZSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1CC[C@H](N)C1 251915046 344880237 /nfs/dbraw/zinc/88/02/37/344880237.db2.gz UHKYQRBDRHBAKC-RHYQMDGZSA-N 1 3 196.338 1.987 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2CC2)C[C@H]1C 251940112 344881436 /nfs/dbraw/zinc/88/14/36/344881436.db2.gz ZNFKBWMUNPRYOY-MWLCHTKSSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H](CC1CC1)[N@@H+]1CC[C@@H](N)[C@H](C)C1 251933294 344881458 /nfs/dbraw/zinc/88/14/58/344881458.db2.gz YYAAGNNUPHMJBO-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CC1CC1)[N@H+]1CC[C@@H](N)[C@H](C)C1 251933294 344881460 /nfs/dbraw/zinc/88/14/60/344881460.db2.gz YYAAGNNUPHMJBO-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CC1CC1)N1CC[C@@H]([NH3+])[C@H](C)C1 251933294 344881462 /nfs/dbraw/zinc/88/14/62/344881462.db2.gz YYAAGNNUPHMJBO-JFGNBEQYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCCC2)CC[C@H]1N 251936480 344881617 /nfs/dbraw/zinc/88/16/17/344881617.db2.gz ZFQWODGNHWQPMN-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1N 251936480 344881620 /nfs/dbraw/zinc/88/16/20/344881620.db2.gz ZFQWODGNHWQPMN-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C2CCCC2)CC[C@H]1[NH3+] 251936480 344881622 /nfs/dbraw/zinc/88/16/22/344881622.db2.gz ZFQWODGNHWQPMN-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H](C)CC2CC2)CC[C@@H]1N 251933293 344881653 /nfs/dbraw/zinc/88/16/53/344881653.db2.gz YYAAGNNUPHMJBO-FOGDFJRCSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H](C)CC2CC2)CC[C@@H]1N 251933293 344881656 /nfs/dbraw/zinc/88/16/56/344881656.db2.gz YYAAGNNUPHMJBO-FOGDFJRCSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H](C)CC2CC2)CC[C@H]1N 251933291 344881691 /nfs/dbraw/zinc/88/16/91/344881691.db2.gz YYAAGNNUPHMJBO-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H](C)CC2CC2)CC[C@H]1N 251933291 344881693 /nfs/dbraw/zinc/88/16/93/344881693.db2.gz YYAAGNNUPHMJBO-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CN([C@H](C)CC2CC2)CC[C@H]1[NH3+] 251933291 344881694 /nfs/dbraw/zinc/88/16/94/344881694.db2.gz YYAAGNNUPHMJBO-CKYFFXLPSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCCC2)CC[C@H]1N 251936476 344881788 /nfs/dbraw/zinc/88/17/88/344881788.db2.gz ZFQWODGNHWQPMN-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@H]1CCCNCC1 251949750 344881988 /nfs/dbraw/zinc/88/19/88/344881988.db2.gz UHCWJPGAKFTESY-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@H]1CCCNCC1 251949750 344881989 /nfs/dbraw/zinc/88/19/89/344881989.db2.gz UHCWJPGAKFTESY-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CNCCC[N@@H+]([C@H](C)C2CC2)C1 251943609 344882131 /nfs/dbraw/zinc/88/21/31/344882131.db2.gz ZUAWXJSJEXMIKR-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCCC[N@H+]([C@H](C)C2CC2)C1 251943609 344882134 /nfs/dbraw/zinc/88/21/34/344882134.db2.gz ZUAWXJSJEXMIKR-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C)[N@H+](C)[C@H]1CCCNCC1 251949748 344882327 /nfs/dbraw/zinc/88/23/27/344882327.db2.gz UHCWJPGAKFTESY-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)[C@H]1CCCNCC1 251949748 344882328 /nfs/dbraw/zinc/88/23/28/344882328.db2.gz UHCWJPGAKFTESY-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 251965432 344882638 /nfs/dbraw/zinc/88/26/38/344882638.db2.gz WBWGGMINPRUJCC-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](C)C1 251965432 344882639 /nfs/dbraw/zinc/88/26/39/344882639.db2.gz WBWGGMINPRUJCC-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 251965432 344882641 /nfs/dbraw/zinc/88/26/41/344882641.db2.gz WBWGGMINPRUJCC-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 251965431 344882833 /nfs/dbraw/zinc/88/28/33/344882833.db2.gz WBWGGMINPRUJCC-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)C1 251965431 344882835 /nfs/dbraw/zinc/88/28/35/344882835.db2.gz WBWGGMINPRUJCC-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 251965431 344882837 /nfs/dbraw/zinc/88/28/37/344882837.db2.gz WBWGGMINPRUJCC-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH2+]C)C[C@H]1C 252024965 344883326 /nfs/dbraw/zinc/88/33/26/344883326.db2.gz YBESTTGSXUUQMK-AXFHLTTASA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](NC)C[C@H]1C 252024965 344883330 /nfs/dbraw/zinc/88/33/30/344883330.db2.gz YBESTTGSXUUQMK-AXFHLTTASA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](NC)C[C@H]1C 252024965 344883331 /nfs/dbraw/zinc/88/33/31/344883331.db2.gz YBESTTGSXUUQMK-AXFHLTTASA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH2+]C)C[C@H]1C 252024966 344883401 /nfs/dbraw/zinc/88/34/01/344883401.db2.gz YBESTTGSXUUQMK-HBNTYKKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](NC)C[C@H]1C 252024966 344883402 /nfs/dbraw/zinc/88/34/02/344883402.db2.gz YBESTTGSXUUQMK-HBNTYKKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](NC)C[C@H]1C 252024966 344883406 /nfs/dbraw/zinc/88/34/06/344883406.db2.gz YBESTTGSXUUQMK-HBNTYKKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)C[C@H]1C 252004078 344883489 /nfs/dbraw/zinc/88/34/89/344883489.db2.gz WMKBLWWHJHZQBU-AEJSXWLSSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)C[C@H]1C 252004078 344883491 /nfs/dbraw/zinc/88/34/91/344883491.db2.gz WMKBLWWHJHZQBU-AEJSXWLSSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C 252004078 344883493 /nfs/dbraw/zinc/88/34/93/344883493.db2.gz WMKBLWWHJHZQBU-AEJSXWLSSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](N)C[C@H]1C 252004079 344883597 /nfs/dbraw/zinc/88/35/97/344883597.db2.gz WMKBLWWHJHZQBU-IVZWLZJFSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](N)C[C@H]1C 252004079 344883598 /nfs/dbraw/zinc/88/35/98/344883598.db2.gz WMKBLWWHJHZQBU-IVZWLZJFSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C 252004079 344883601 /nfs/dbraw/zinc/88/36/01/344883601.db2.gz WMKBLWWHJHZQBU-IVZWLZJFSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H]1CN 252087903 344884039 /nfs/dbraw/zinc/88/40/39/344884039.db2.gz DBWXWRHFNPMSKF-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@](N)(C[NH3+])C1 252092310 344884058 /nfs/dbraw/zinc/88/40/58/344884058.db2.gz HHEQNCNNTGMLBS-AYMMMOKOSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H](N)C1 252087199 344884073 /nfs/dbraw/zinc/88/40/73/344884073.db2.gz DACRJYICGKVFAC-MXWKQRLJSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H](N)C1 252087199 344884075 /nfs/dbraw/zinc/88/40/75/344884075.db2.gz DACRJYICGKVFAC-MXWKQRLJSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1[C@H](C)C1CC1 252099038 344884583 /nfs/dbraw/zinc/88/45/83/344884583.db2.gz IDPHWFFDOPQXAX-KKZNHRDASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1[C@H](C)C1CC1 252099038 344884585 /nfs/dbraw/zinc/88/45/85/344884585.db2.gz IDPHWFFDOPQXAX-KKZNHRDASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H](C)C1CC1 252099037 344884681 /nfs/dbraw/zinc/88/46/81/344884681.db2.gz IDPHWFFDOPQXAX-FXPVBKGRSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H](C)C1CC1 252099037 344884683 /nfs/dbraw/zinc/88/46/83/344884683.db2.gz IDPHWFFDOPQXAX-FXPVBKGRSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CCC[C@H](C)CC1 252100674 344884699 /nfs/dbraw/zinc/88/46/99/344884699.db2.gz GEYSFXSBHWMPPY-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@H+]1CCC[C@H](C)CC1 252100674 344884701 /nfs/dbraw/zinc/88/47/01/344884701.db2.gz GEYSFXSBHWMPPY-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCC[C@H]1C 252101983 344885365 /nfs/dbraw/zinc/88/53/65/344885365.db2.gz GJYYZAWPWGJETN-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCC[C@H]1C 252101983 344885366 /nfs/dbraw/zinc/88/53/66/344885366.db2.gz GJYYZAWPWGJETN-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H]([NH+]2CC(CN)C2)C1 252102959 344885458 /nfs/dbraw/zinc/88/54/58/344885458.db2.gz IPQMQJRSJZXKGN-IAZYJMLFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H](N2CC(C[NH3+])C2)C1 252102959 344885459 /nfs/dbraw/zinc/88/54/59/344885459.db2.gz IPQMQJRSJZXKGN-IAZYJMLFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@@H](C)C[C@H]1C 252113117 344885918 /nfs/dbraw/zinc/88/59/18/344885918.db2.gz IBEFWPFWUHDZGZ-OUAUKWLOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@H](C)C[C@@H]1C 252113114 344886026 /nfs/dbraw/zinc/88/60/26/344886026.db2.gz IBEFWPFWUHDZGZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@H](C)C[C@@H]1C 252113114 344886028 /nfs/dbraw/zinc/88/60/28/344886028.db2.gz IBEFWPFWUHDZGZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@H](C)C[C@H]1C 252113116 344886167 /nfs/dbraw/zinc/88/61/67/344886167.db2.gz IBEFWPFWUHDZGZ-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@H](C)C[C@H]1C 252113116 344886169 /nfs/dbraw/zinc/88/61/69/344886169.db2.gz IBEFWPFWUHDZGZ-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 252123347 344886350 /nfs/dbraw/zinc/88/63/50/344886350.db2.gz JRVOQMXJVNELOJ-RCWTZXSCSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1CC[N@@H+](C[C@H](C)CN)[C@H](C)C1 252118461 344886402 /nfs/dbraw/zinc/88/64/02/344886402.db2.gz IZICDEFJXZEWCF-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[N@H+](C[C@H](C)CN)[C@H](C)C1 252118461 344886406 /nfs/dbraw/zinc/88/64/06/344886406.db2.gz IZICDEFJXZEWCF-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](N)C1 252123349 344886492 /nfs/dbraw/zinc/88/64/92/344886492.db2.gz JRVOQMXJVNELOJ-ZNSHCXBVSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCCCC[C@H]1C 252126441 344886508 /nfs/dbraw/zinc/88/65/08/344886508.db2.gz KDOLBSTVHOPXFK-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCCCC[C@H]1C 252126441 344886509 /nfs/dbraw/zinc/88/65/09/344886509.db2.gz KDOLBSTVHOPXFK-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCCN1CC[C@H]1CCC[NH2+]1 252119554 344886625 /nfs/dbraw/zinc/88/66/25/344886625.db2.gz JCKDLCRNTDPXJJ-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCCN(C2CC([NH3+])C2)[C@H]1C 252120984 344886719 /nfs/dbraw/zinc/88/67/19/344886719.db2.gz JIJIVXKFIGKKRC-SAAXCQNUSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)CCCN1C1CC([NH3+])C1 252120983 344886784 /nfs/dbraw/zinc/88/67/84/344886784.db2.gz JIJIVXKFIGKKRC-MFQSTILNSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H]1CN 252127485 344886996 /nfs/dbraw/zinc/88/69/96/344886996.db2.gz KGUAKBUUUXXYIF-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H]1CN 252127485 344886998 /nfs/dbraw/zinc/88/69/98/344886998.db2.gz KGUAKBUUUXXYIF-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]2)C1 252129368 344887028 /nfs/dbraw/zinc/88/70/28/344887028.db2.gz KNHNLHMRNRBIAV-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H]1CN 252127483 344887052 /nfs/dbraw/zinc/88/70/52/344887052.db2.gz KGUAKBUUUXXYIF-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H]1CN 252127483 344887055 /nfs/dbraw/zinc/88/70/55/344887055.db2.gz KGUAKBUUUXXYIF-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[N@@H+](C[C@H](C)CN)[C@@H]1C 252132936 344887079 /nfs/dbraw/zinc/88/70/79/344887079.db2.gz LCDSTKRZGDHNES-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCC[N@H+](C[C@H](C)CN)[C@@H]1C 252132936 344887081 /nfs/dbraw/zinc/88/70/81/344887081.db2.gz LCDSTKRZGDHNES-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCC[C@@H](C)[C@H]1C 252132935 344887208 /nfs/dbraw/zinc/88/72/08/344887208.db2.gz LCDSTKRZGDHNES-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCC[C@@H](C)[C@H]1C 252132935 344887210 /nfs/dbraw/zinc/88/72/10/344887210.db2.gz LCDSTKRZGDHNES-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCC[N@@H+](C[C@H](C)CN)C1 252134985 344887216 /nfs/dbraw/zinc/88/72/16/344887216.db2.gz LJPRTOVKQFULBS-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H]1CCC[N@H+](C[C@H](C)CN)C1 252134985 344887217 /nfs/dbraw/zinc/88/72/17/344887217.db2.gz LJPRTOVKQFULBS-VHSXEESVSA-N 1 3 170.300 1.313 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@@H+]1CCC[C@H](C)C1 252135103 344887281 /nfs/dbraw/zinc/88/72/81/344887281.db2.gz LKFUIHFZDCALRY-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@H]1[N@H+]1CCC[C@H](C)C1 252135103 344887282 /nfs/dbraw/zinc/88/72/82/344887282.db2.gz LKFUIHFZDCALRY-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CCC[C@H](C)C1 252135103 344887284 /nfs/dbraw/zinc/88/72/84/344887284.db2.gz LKFUIHFZDCALRY-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H]1CN 252127484 344887326 /nfs/dbraw/zinc/88/73/26/344887326.db2.gz KGUAKBUUUXXYIF-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H]1CN 252127484 344887331 /nfs/dbraw/zinc/88/73/31/344887331.db2.gz KGUAKBUUUXXYIF-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[N@@H+](C[C@H](C)CN)[C@H]1C 252132937 344887342 /nfs/dbraw/zinc/88/73/42/344887342.db2.gz LCDSTKRZGDHNES-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CCC[N@H+](C[C@H](C)CN)[C@H]1C 252132937 344887344 /nfs/dbraw/zinc/88/73/44/344887344.db2.gz LCDSTKRZGDHNES-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@](C[NH3+])(NC2CC2)C[C@@H](C)O1 252135116 344887367 /nfs/dbraw/zinc/88/73/67/344887367.db2.gz MLYVRNQUMLNQSF-DOFRTFSJSA-N 1 3 198.310 1.023 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@H](C)C1 252135105 344887375 /nfs/dbraw/zinc/88/73/75/344887375.db2.gz LKFUIHFZDCALRY-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H](C)C1 252135105 344887377 /nfs/dbraw/zinc/88/73/77/344887377.db2.gz LKFUIHFZDCALRY-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CCC[C@H](C)C1 252135105 344887378 /nfs/dbraw/zinc/88/73/78/344887378.db2.gz LKFUIHFZDCALRY-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCC[C@H]1N 252140056 344887775 /nfs/dbraw/zinc/88/77/75/344887775.db2.gz NBNJACLPDWYAHZ-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CCCCC[C@H]1[NH3+] 252140056 344887776 /nfs/dbraw/zinc/88/77/76/344887776.db2.gz NBNJACLPDWYAHZ-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]C2CC(N)C2)CC[C@H]1C 252137712 344887905 /nfs/dbraw/zinc/88/79/05/344887905.db2.gz MTEZLXWZMNSRBF-JOUYRYFISA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@H]1[C@H](C)CC[C@H]1[NH2+]C1CC(N)C1 252137713 344887931 /nfs/dbraw/zinc/88/79/31/344887931.db2.gz MTEZLXWZMNSRBF-QNDJDPKUSA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCCC[C@H]1N 252140055 344888034 /nfs/dbraw/zinc/88/80/34/344888034.db2.gz NBNJACLPDWYAHZ-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@H]1CCCCC[C@H]1[NH3+] 252140055 344888039 /nfs/dbraw/zinc/88/80/39/344888039.db2.gz NBNJACLPDWYAHZ-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@@H+]1CCC[C@H]1C 252156111 344888757 /nfs/dbraw/zinc/88/87/57/344888757.db2.gz NHVWTHMQNGTQFO-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@H+]1CCC[C@H]1C 252156111 344888758 /nfs/dbraw/zinc/88/87/58/344888758.db2.gz NHVWTHMQNGTQFO-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]1C[C@H]1N1CC[C@@H]([NH3+])[C@H](C)C1 252166874 344888805 /nfs/dbraw/zinc/88/88/05/344888805.db2.gz QOQFFBKDFXVWNW-SGIHWFKDSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCC[C@H]1C 252156474 344889036 /nfs/dbraw/zinc/88/90/36/344889036.db2.gz NJNVZNZRLCYXEP-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCC[C@H]1C 252156474 344889037 /nfs/dbraw/zinc/88/90/37/344889037.db2.gz NJNVZNZRLCYXEP-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CN([C@@H]2C[C@H]2C)CC[C@H]1[NH3+] 252166876 344889132 /nfs/dbraw/zinc/88/91/32/344889132.db2.gz QOQFFBKDFXVWNW-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H]1CN 252170438 344889498 /nfs/dbraw/zinc/88/94/98/344889498.db2.gz NVTJDMPTFVORPE-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1CN 252170438 344889500 /nfs/dbraw/zinc/88/95/00/344889500.db2.gz NVTJDMPTFVORPE-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1CN 252170633 344889536 /nfs/dbraw/zinc/88/95/36/344889536.db2.gz NVTJDMPTFVORPE-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1CN 252170633 344889538 /nfs/dbraw/zinc/88/95/38/344889538.db2.gz NVTJDMPTFVORPE-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H]1CN 252170634 344889707 /nfs/dbraw/zinc/88/97/07/344889707.db2.gz NVTJDMPTFVORPE-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1CN 252170634 344889710 /nfs/dbraw/zinc/88/97/10/344889710.db2.gz NVTJDMPTFVORPE-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC[C@H]1C 252180658 344890107 /nfs/dbraw/zinc/89/01/07/344890107.db2.gz PZDQKOQHECDXSG-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 252180444 344890261 /nfs/dbraw/zinc/89/02/61/344890261.db2.gz SUZDMZNJFPSOSR-KATARQTJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 252180444 344890262 /nfs/dbraw/zinc/89/02/62/344890262.db2.gz SUZDMZNJFPSOSR-KATARQTJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 252180443 344890381 /nfs/dbraw/zinc/89/03/81/344890381.db2.gz SUZDMZNJFPSOSR-IMSYWVGJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 252180443 344890382 /nfs/dbraw/zinc/89/03/82/344890382.db2.gz SUZDMZNJFPSOSR-IMSYWVGJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@H]1CCNC[C@H]1C 252199451 344891089 /nfs/dbraw/zinc/89/10/89/344891089.db2.gz SYUREGQFKVHFSF-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@H]1CCNC[C@H]1C 252199451 344891090 /nfs/dbraw/zinc/89/10/90/344891090.db2.gz SYUREGQFKVHFSF-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCC[C@H]1C 252199448 344891128 /nfs/dbraw/zinc/89/11/28/344891128.db2.gz SYUREGQFKVHFSF-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCC[C@H]1C 252199448 344891130 /nfs/dbraw/zinc/89/11/30/344891130.db2.gz SYUREGQFKVHFSF-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCC[C@H]1C 252199449 344891169 /nfs/dbraw/zinc/89/11/69/344891169.db2.gz SYUREGQFKVHFSF-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CCCCN1C[C@H](C)[C@H]([NH3+])C1 300048130 344966080 /nfs/dbraw/zinc/96/60/80/344966080.db2.gz HTMOSHHXOXADSI-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCC[C@H]1C 252199449 344891171 /nfs/dbraw/zinc/89/11/71/344891171.db2.gz SYUREGQFKVHFSF-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])C[C@H]1C 252202083 344891367 /nfs/dbraw/zinc/89/13/67/344891367.db2.gz WMDJAYJCFXKSQL-IMSYWVGJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])C[C@H]1C 252202084 344891497 /nfs/dbraw/zinc/89/14/97/344891497.db2.gz WMDJAYJCFXKSQL-KYXWUPHJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CCCCNC1 252201462 344891639 /nfs/dbraw/zinc/89/16/39/344891639.db2.gz UDTIVMBDRHKWKD-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@H]1CCCCNC1 252201463 344891751 /nfs/dbraw/zinc/89/17/51/344891751.db2.gz UDTIVMBDRHKWKD-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@H]1CCCCNC1 252201463 344891752 /nfs/dbraw/zinc/89/17/52/344891752.db2.gz UDTIVMBDRHKWKD-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@H](C)CCN)C1 252200724 344891770 /nfs/dbraw/zinc/89/17/70/344891770.db2.gz TZKXBNIAYJIQLO-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@H](C)CCN)C1 252200724 344891771 /nfs/dbraw/zinc/89/17/71/344891771.db2.gz TZKXBNIAYJIQLO-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](N)C1 252209204 344891912 /nfs/dbraw/zinc/89/19/12/344891912.db2.gz VWFMTMIXFPOEFB-MXWKQRLJSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](N)C1 252209204 344891915 /nfs/dbraw/zinc/89/19/15/344891915.db2.gz VWFMTMIXFPOEFB-MXWKQRLJSA-N 1 3 182.311 1.741 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H]1C 252206422 344891940 /nfs/dbraw/zinc/89/19/40/344891940.db2.gz VFDQXQRDMSSMGI-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H]1C 252206422 344891945 /nfs/dbraw/zinc/89/19/45/344891945.db2.gz VFDQXQRDMSSMGI-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H]1C 252206423 344892104 /nfs/dbraw/zinc/89/21/04/344892104.db2.gz VFDQXQRDMSSMGI-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H]1C 252206423 344892105 /nfs/dbraw/zinc/89/21/05/344892105.db2.gz VFDQXQRDMSSMGI-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](N)C1 252209205 344892119 /nfs/dbraw/zinc/89/21/19/344892119.db2.gz VWFMTMIXFPOEFB-VWYCJHECSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](N)C1 252209205 344892121 /nfs/dbraw/zinc/89/21/21/344892121.db2.gz VWFMTMIXFPOEFB-VWYCJHECSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]1CCC[N@@H+](C[C@H](C)CN)CC1 252214044 344892652 /nfs/dbraw/zinc/89/26/52/344892652.db2.gz XDWCNLOZJNSWKY-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1CCC[N@H+](C[C@H](C)CN)CC1 252214044 344892655 /nfs/dbraw/zinc/89/26/55/344892655.db2.gz XDWCNLOZJNSWKY-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@H]2CCNC[C@H]2C)C1 252214489 344892707 /nfs/dbraw/zinc/89/27/07/344892707.db2.gz XHFGHCZMJJPIGD-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@H]2CCNC[C@H]2C)C1 252214489 344892710 /nfs/dbraw/zinc/89/27/10/344892710.db2.gz XHFGHCZMJJPIGD-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H]1CC1(C)C 252213376 344892721 /nfs/dbraw/zinc/89/27/21/344892721.db2.gz YQWXYLFXBYRHQY-BBBLOLIVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H]1CC1(C)C 252213376 344892724 /nfs/dbraw/zinc/89/27/24/344892724.db2.gz YQWXYLFXBYRHQY-BBBLOLIVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CCC[C@@H](C)C1 252214490 344892748 /nfs/dbraw/zinc/89/27/48/344892748.db2.gz XHFGHCZMJJPIGD-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CCC[C@@H](C)C1 252214490 344892750 /nfs/dbraw/zinc/89/27/50/344892750.db2.gz XHFGHCZMJJPIGD-WOPDTQHZSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1[C@H]1CC1(C)C 252213377 344892984 /nfs/dbraw/zinc/89/29/84/344892984.db2.gz YQWXYLFXBYRHQY-UTLUCORTSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1[C@H]1CC1(C)C 252213377 344892988 /nfs/dbraw/zinc/89/29/88/344892988.db2.gz YQWXYLFXBYRHQY-UTLUCORTSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC[C@H]2C)C1 252214488 344892998 /nfs/dbraw/zinc/89/29/98/344892998.db2.gz XHFGHCZMJJPIGD-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CCNC[C@H]2C)C1 252214488 344892999 /nfs/dbraw/zinc/89/29/99/344892999.db2.gz XHFGHCZMJJPIGD-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCNC2)CC[C@H]1C 252217096 344893346 /nfs/dbraw/zinc/89/33/46/344893346.db2.gz ZLJRWNYWZZDAOB-YTWAJWBKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)[C@@H]1C 252217097 344893476 /nfs/dbraw/zinc/89/34/76/344893476.db2.gz ZLJRWNYWZZDAOB-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CCC[C@H]1C 252216003 344893514 /nfs/dbraw/zinc/89/35/14/344893514.db2.gz XRTAFEYOOSHLEG-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CCC[C@H]1C 252216003 344893516 /nfs/dbraw/zinc/89/35/16/344893516.db2.gz XRTAFEYOOSHLEG-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@H]2CCNC2)CC[C@H]1C 252217095 344893569 /nfs/dbraw/zinc/89/35/69/344893569.db2.gz ZLJRWNYWZZDAOB-RCWTZXSCSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](N)C1 252221750 344894044 /nfs/dbraw/zinc/89/40/44/344894044.db2.gz ZEZWUSUSBSDCEL-BBBLOLIVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](N)C1 252221750 344894046 /nfs/dbraw/zinc/89/40/46/344894046.db2.gz ZEZWUSUSBSDCEL-BBBLOLIVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](N)C1 252221751 344894056 /nfs/dbraw/zinc/89/40/56/344894056.db2.gz ZEZWUSUSBSDCEL-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](N)C1 252221751 344894059 /nfs/dbraw/zinc/89/40/59/344894059.db2.gz ZEZWUSUSBSDCEL-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO CCN(C)C[C@H]1CCCCC[C@H]1[NH3+] 252458165 344898078 /nfs/dbraw/zinc/89/80/78/344898078.db2.gz OKWYRZGIHZESHZ-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C)C[C@@H]1CCCCC[C@H]1[NH3+] 252458166 344898199 /nfs/dbraw/zinc/89/81/99/344898199.db2.gz OKWYRZGIHZESHZ-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@@H]([NH3+])[C@@H]1CN(C)C 252471560 344899020 /nfs/dbraw/zinc/89/90/20/344899020.db2.gz JOEPMOLZCUTZJX-LMLFDSFASA-N 1 3 184.327 1.558 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@H]([NH3+])[C@H]1CN(C)C 252471561 344899078 /nfs/dbraw/zinc/89/90/78/344899078.db2.gz JOEPMOLZCUTZJX-RCWTZXSCSA-N 1 3 184.327 1.558 10 0 ADAEHO C/C=C/CN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252551950 344901137 /nfs/dbraw/zinc/90/11/37/344901137.db2.gz BXBOAZJUTLHBQE-DYSSWMIWSA-N 1 3 180.295 1.102 10 0 ADAEHO CC(C)=CCN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252551975 344901864 /nfs/dbraw/zinc/90/18/64/344901864.db2.gz CBUUNHSKEFHPIN-GRYCIOLGSA-N 1 3 194.322 1.492 10 0 ADAEHO CC(C)=CCN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252551976 344901942 /nfs/dbraw/zinc/90/19/42/344901942.db2.gz CBUUNHSKEFHPIN-SRVKXCTJSA-N 1 3 194.322 1.492 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCC[C@@H]1C 252590083 344903521 /nfs/dbraw/zinc/90/35/21/344903521.db2.gz CMNBESSRBWUUNK-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@H+]1C(C)(C)C 252593979 344903564 /nfs/dbraw/zinc/90/35/64/344903564.db2.gz GFQQCCUBTRKKRL-LPEHRKFASA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@@H+]1C(C)(C)C 252593979 344903566 /nfs/dbraw/zinc/90/35/66/344903566.db2.gz GFQQCCUBTRKKRL-LPEHRKFASA-N 1 3 184.327 1.843 10 0 ADAEHO CCN1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 252592533 344903582 /nfs/dbraw/zinc/90/35/82/344903582.db2.gz FGBRNGCZUSGASI-BBBLOLIVSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCC[C@@H]1C 252590084 344903634 /nfs/dbraw/zinc/90/36/34/344903634.db2.gz CMNBESSRBWUUNK-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](N)[C@@H](C)[C@H]1C 252594553 344903648 /nfs/dbraw/zinc/90/36/48/344903648.db2.gz GQUINWVHTBVPRL-IVZWLZJFSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](N)[C@@H](C)[C@H]1C 252594553 344903650 /nfs/dbraw/zinc/90/36/50/344903650.db2.gz GQUINWVHTBVPRL-IVZWLZJFSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])[C@@H](C)[C@H]1C 252594553 344903651 /nfs/dbraw/zinc/90/36/51/344903651.db2.gz GQUINWVHTBVPRL-IVZWLZJFSA-N 1 3 170.300 1.452 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCC[C@H]1C 252590086 344903677 /nfs/dbraw/zinc/90/36/77/344903677.db2.gz CMNBESSRBWUUNK-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCC[C@H]1C 252590085 344903703 /nfs/dbraw/zinc/90/37/03/344903703.db2.gz CMNBESSRBWUUNK-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN1CC[C@H]([NH2+]C)[C@@H](C)[C@H]1C 252592532 344903781 /nfs/dbraw/zinc/90/37/81/344903781.db2.gz FGBRNGCZUSGASI-AEJSXWLSSA-N 1 3 170.300 1.325 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)[C@H](C)[C@H]1C 252594777 344903799 /nfs/dbraw/zinc/90/37/99/344903799.db2.gz GWVWMGALMGOKML-GMTAPVOTSA-N 1 3 184.327 1.713 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)[C@H](C)[C@@H]1C 252594778 344903815 /nfs/dbraw/zinc/90/38/15/344903815.db2.gz GWVWMGALMGOKML-HBNTYKKESA-N 1 3 184.327 1.713 10 0 ADAEHO CC[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252605235 344903977 /nfs/dbraw/zinc/90/39/77/344903977.db2.gz PMLJEEMQRMRBCO-YIZRAAEISA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252605235 344903980 /nfs/dbraw/zinc/90/39/80/344903980.db2.gz PMLJEEMQRMRBCO-YIZRAAEISA-N 1 3 156.273 1.064 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252605235 344903982 /nfs/dbraw/zinc/90/39/82/344903982.db2.gz PMLJEEMQRMRBCO-YIZRAAEISA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@@H+]1CC1CC1 252600086 344904038 /nfs/dbraw/zinc/90/40/38/344904038.db2.gz LHQYQELUHPKMEX-ATZCPNFKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@H+]1CC1CC1 252600086 344904041 /nfs/dbraw/zinc/90/40/41/344904041.db2.gz LHQYQELUHPKMEX-ATZCPNFKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1CC1CC1 252600086 344904042 /nfs/dbraw/zinc/90/40/42/344904042.db2.gz LHQYQELUHPKMEX-ATZCPNFKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[NH2+][C@@H]1CCN(C(C)C)[C@@H](C)[C@H]1C 252594779 344904075 /nfs/dbraw/zinc/90/40/75/344904075.db2.gz GWVWMGALMGOKML-OUAUKWLOSA-N 1 3 184.327 1.713 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC2)[C@H](C)[C@H]1C 252599646 344904089 /nfs/dbraw/zinc/90/40/89/344904089.db2.gz KYOXUPPZAPMMRM-FXPVBKGRSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1[C@H]1C[C@H]1C 252600336 344904097 /nfs/dbraw/zinc/90/40/97/344904097.db2.gz LMKVHSGKDDEVTR-NMUGVGKYSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1[C@H]1C[C@H]1C 252600336 344904100 /nfs/dbraw/zinc/90/41/00/344904100.db2.gz LMKVHSGKDDEVTR-NMUGVGKYSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1[C@H]1C[C@H]1C 252600336 344904102 /nfs/dbraw/zinc/90/41/02/344904102.db2.gz LMKVHSGKDDEVTR-NMUGVGKYSA-N 1 3 182.311 1.452 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC2)[C@H](C)[C@@H]1C 252599647 344904162 /nfs/dbraw/zinc/90/41/62/344904162.db2.gz KYOXUPPZAPMMRM-IQJOONFLSA-N 1 3 182.311 1.467 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC2)[C@@H](C)[C@H]1C 252599648 344904243 /nfs/dbraw/zinc/90/42/43/344904243.db2.gz KYOXUPPZAPMMRM-WCABBAIRSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1[C@@H](N)CC[N@H+]([C@H]2C[C@H]2C)[C@@H]1C 252600335 344904372 /nfs/dbraw/zinc/90/43/72/344904372.db2.gz LMKVHSGKDDEVTR-APLZJWDSSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252600337 344904281 /nfs/dbraw/zinc/90/42/81/344904281.db2.gz LMKVHSGKDDEVTR-XXFSISAASA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252600337 344904284 /nfs/dbraw/zinc/90/42/84/344904284.db2.gz LMKVHSGKDDEVTR-XXFSISAASA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252600337 344904286 /nfs/dbraw/zinc/90/42/86/344904286.db2.gz LMKVHSGKDDEVTR-XXFSISAASA-N 1 3 182.311 1.452 10 0 ADAEHO CC[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252605234 344904346 /nfs/dbraw/zinc/90/43/46/344904346.db2.gz PMLJEEMQRMRBCO-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252605234 344904347 /nfs/dbraw/zinc/90/43/47/344904347.db2.gz PMLJEEMQRMRBCO-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252605234 344904349 /nfs/dbraw/zinc/90/43/49/344904349.db2.gz PMLJEEMQRMRBCO-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@@H](N)CC[N@@H+]([C@H]2C[C@H]2C)[C@@H]1C 252600335 344904369 /nfs/dbraw/zinc/90/43/69/344904369.db2.gz LMKVHSGKDDEVTR-APLZJWDSSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCCC[C@H]1C 252606739 344904595 /nfs/dbraw/zinc/90/45/95/344904595.db2.gz QVNSDLPZPFYUEJ-WOPDTQHZSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCCC[C@H]1C 252606738 344904734 /nfs/dbraw/zinc/90/47/34/344904734.db2.gz QVNSDLPZPFYUEJ-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)[C@H](C)[C@@H]1C 252608272 344904742 /nfs/dbraw/zinc/90/47/42/344904742.db2.gz SCGMQQBFHGUDAM-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)[C@H](C)[C@@H]1C 252608272 344904744 /nfs/dbraw/zinc/90/47/44/344904744.db2.gz SCGMQQBFHGUDAM-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)[C@H](C)[C@@H]1C 252608272 344904746 /nfs/dbraw/zinc/90/47/46/344904746.db2.gz SCGMQQBFHGUDAM-QJPTWQEYSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)[C@H](C)[C@H]1C 252608271 344904792 /nfs/dbraw/zinc/90/47/92/344904792.db2.gz SCGMQQBFHGUDAM-IJLUTSLNSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)[C@H](C)[C@H]1C 252608271 344904793 /nfs/dbraw/zinc/90/47/93/344904793.db2.gz SCGMQQBFHGUDAM-IJLUTSLNSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)[C@H](C)[C@H]1C 252608271 344904794 /nfs/dbraw/zinc/90/47/94/344904794.db2.gz SCGMQQBFHGUDAM-IJLUTSLNSA-N 1 3 198.354 1.961 10 0 ADAEHO CCC[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252609444 344904809 /nfs/dbraw/zinc/90/48/09/344904809.db2.gz TXBVJMQYSIGRPT-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252609444 344904811 /nfs/dbraw/zinc/90/48/11/344904811.db2.gz TXBVJMQYSIGRPT-BBBLOLIVSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252609443 344904845 /nfs/dbraw/zinc/90/48/45/344904845.db2.gz TXBVJMQYSIGRPT-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252609443 344904848 /nfs/dbraw/zinc/90/48/48/344904848.db2.gz TXBVJMQYSIGRPT-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252609443 344904850 /nfs/dbraw/zinc/90/48/50/344904850.db2.gz TXBVJMQYSIGRPT-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@@H+]1C1CCC1 252610143 344904863 /nfs/dbraw/zinc/90/48/63/344904863.db2.gz ULDZYGRMCXTYAJ-ATZCPNFKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@H+]1C1CCC1 252610143 344904866 /nfs/dbraw/zinc/90/48/66/344904866.db2.gz ULDZYGRMCXTYAJ-ATZCPNFKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1C1CCC1 252610143 344904871 /nfs/dbraw/zinc/90/48/71/344904871.db2.gz ULDZYGRMCXTYAJ-ATZCPNFKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1C1CC1 252611410 344904934 /nfs/dbraw/zinc/90/49/34/344904934.db2.gz VMPFADNXQSRGED-OYNCUSHFSA-N 1 3 168.284 1.206 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252611622 344904987 /nfs/dbraw/zinc/90/49/87/344904987.db2.gz VRCIKRSZLIFJRZ-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252611622 344904990 /nfs/dbraw/zinc/90/49/90/344904990.db2.gz VRCIKRSZLIFJRZ-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252611622 344904992 /nfs/dbraw/zinc/90/49/92/344904992.db2.gz VRCIKRSZLIFJRZ-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CCCC[C@H]1C 252609445 344905010 /nfs/dbraw/zinc/90/50/10/344905010.db2.gz TXBWATYHXGVRQO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+]1CCCC[C@H]1C 252609445 344905013 /nfs/dbraw/zinc/90/50/13/344905013.db2.gz TXBWATYHXGVRQO-GMTAPVOTSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+]1CCCC[C@H]1C 252609446 344905021 /nfs/dbraw/zinc/90/50/21/344905021.db2.gz TXBWATYHXGVRQO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+]1CCCC[C@H]1C 252609446 344905023 /nfs/dbraw/zinc/90/50/23/344905023.db2.gz TXBWATYHXGVRQO-MXWKQRLJSA-N 1 3 184.327 1.844 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)[C@H]1C 252608270 344905027 /nfs/dbraw/zinc/90/50/27/344905027.db2.gz SCGMQQBFHGUDAM-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)[C@H]1C 252608270 344905028 /nfs/dbraw/zinc/90/50/28/344905028.db2.gz SCGMQQBFHGUDAM-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)[C@@H](C)[C@H]1C 252608270 344905030 /nfs/dbraw/zinc/90/50/30/344905030.db2.gz SCGMQQBFHGUDAM-GRYCIOLGSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC[C@@H](C)C1 252615784 344905475 /nfs/dbraw/zinc/90/54/75/344905475.db2.gz ZHTQLWPGHBJLIO-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC)[C@@H](C)[C@H]1C 252615263 344905180 /nfs/dbraw/zinc/90/51/80/344905180.db2.gz YWTWRHLORXVBJJ-OUAUKWLOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252616481 344905188 /nfs/dbraw/zinc/90/51/88/344905188.db2.gz ZWPSJIBVPBDKPU-MMWGEVLESA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 252616481 344905190 /nfs/dbraw/zinc/90/51/90/344905190.db2.gz ZWPSJIBVPBDKPU-MMWGEVLESA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 252616482 344905206 /nfs/dbraw/zinc/90/52/06/344905206.db2.gz ZWPSJIBVPBDKPU-NAKRPEOUSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 252616482 344905207 /nfs/dbraw/zinc/90/52/07/344905207.db2.gz ZWPSJIBVPBDKPU-NAKRPEOUSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252616483 344905305 /nfs/dbraw/zinc/90/53/05/344905305.db2.gz ZWPSJIBVPBDKPU-ZDCRXTMVSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 252616483 344905306 /nfs/dbraw/zinc/90/53/06/344905306.db2.gz ZWPSJIBVPBDKPU-ZDCRXTMVSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[NH2+][C@@H]1CCN(CC)[C@H](C)[C@H]1C 252615262 344905447 /nfs/dbraw/zinc/90/54/47/344905447.db2.gz YWTWRHLORXVBJJ-GMTAPVOTSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CCN(C[C@H]2CC[NH2+][C@@H]2C)C1 252615783 344905501 /nfs/dbraw/zinc/90/55/01/344905501.db2.gz ZHTQLWPGHBJLIO-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[NH+](C[C@@H]2CCC[C@H]2N)C[C@H]1C 252630983 344905816 /nfs/dbraw/zinc/90/58/16/344905816.db2.gz AQOFNWZHWADTLC-WISYIIOYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1C[NH+](C[C@H](C)CN)C[C@H]1C 252642476 344905835 /nfs/dbraw/zinc/90/58/35/344905835.db2.gz MZAQFGKAEOWCPH-OPRDCNLKSA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H]2N)C[C@@H]1C 252630981 344905869 /nfs/dbraw/zinc/90/58/69/344905869.db2.gz AQOFNWZHWADTLC-WHOHXGKFSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H]2N)C[C@@H]1C 252630981 344905872 /nfs/dbraw/zinc/90/58/72/344905872.db2.gz AQOFNWZHWADTLC-WHOHXGKFSA-N 1 3 196.338 1.702 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])C[C@H]1C 252682475 344907700 /nfs/dbraw/zinc/90/77/00/344907700.db2.gz CCRXKIRSQVVNEL-OKWQPMOJSA-N 1 3 168.284 1.374 10 0 ADAEHO C/C=C/CN1CC[C@@H]([NH3+])C[C@H]1C 252682474 344907871 /nfs/dbraw/zinc/90/78/71/344907871.db2.gz CCRXKIRSQVVNEL-HIHHVFROSA-N 1 3 168.284 1.374 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)C2)C1 252691026 344908746 /nfs/dbraw/zinc/90/87/46/344908746.db2.gz WRPACKFSELNVQQ-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)C2)C1 252691026 344908747 /nfs/dbraw/zinc/90/87/47/344908747.db2.gz WRPACKFSELNVQQ-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C)C2)C1 252691027 344908860 /nfs/dbraw/zinc/90/88/60/344908860.db2.gz WRPACKFSELNVQQ-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)C2)C1 252691027 344908862 /nfs/dbraw/zinc/90/88/62/344908862.db2.gz WRPACKFSELNVQQ-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCN1[C@](C)(C[NH3+])C1CC1 252691344 344908928 /nfs/dbraw/zinc/90/89/28/344908928.db2.gz XRHDRADADJRXCC-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)C2)C1 252691028 344909092 /nfs/dbraw/zinc/90/90/92/344909092.db2.gz WRPACKFSELNVQQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)C2)C1 252691028 344909093 /nfs/dbraw/zinc/90/90/93/344909093.db2.gz WRPACKFSELNVQQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN1[C@](C)(C[NH3+])C1CC1 252691343 344909173 /nfs/dbraw/zinc/90/91/73/344909173.db2.gz XRHDRADADJRXCC-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1N1C[C@H]2CCC[C@@H]2C1 252706590 344909585 /nfs/dbraw/zinc/90/95/85/344909585.db2.gz UQBDIIRFHAZJGO-KKOKHZNYSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@@H]1CNC[C@@H]1[NH+]1C[C@H]2CCC[C@@H]2C1 252706590 344909588 /nfs/dbraw/zinc/90/95/88/344909588.db2.gz UQBDIIRFHAZJGO-KKOKHZNYSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1N1C[C@@H]2CCC[C@H]2C1 252706591 344909699 /nfs/dbraw/zinc/90/96/99/344909699.db2.gz UQBDIIRFHAZJGO-RHYQMDGZSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@@H]1CNC[C@@H]1[NH+]1C[C@@H]2CCC[C@H]2C1 252706591 344909700 /nfs/dbraw/zinc/90/97/00/344909700.db2.gz UQBDIIRFHAZJGO-RHYQMDGZSA-N 1 3 194.322 1.326 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@H+]2CCC[C@H]2C)C1 252719595 344910072 /nfs/dbraw/zinc/91/00/72/344910072.db2.gz IJIIMZHUCBOADZ-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@@H+]2CCC[C@H]2C)C1 252719595 344910074 /nfs/dbraw/zinc/91/00/74/344910074.db2.gz IJIIMZHUCBOADZ-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@@H+]2CC[C@@H](C)C2)C1 252717150 344910098 /nfs/dbraw/zinc/91/00/98/344910098.db2.gz APOQNLVRAKYUKQ-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@H+]2CC[C@@H](C)C2)C1 252717150 344910101 /nfs/dbraw/zinc/91/01/01/344910101.db2.gz APOQNLVRAKYUKQ-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@@H+]2CC[C@H](C)C2)C1 252717148 344910220 /nfs/dbraw/zinc/91/02/20/344910220.db2.gz APOQNLVRAKYUKQ-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@H+]2CC[C@H](C)C2)C1 252717148 344910223 /nfs/dbraw/zinc/91/02/23/344910223.db2.gz APOQNLVRAKYUKQ-GARJFASQSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)N)C1 252757648 344912432 /nfs/dbraw/zinc/91/24/32/344912432.db2.gz CCYTWJAQOFOMDY-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)N)C1 252757648 344912434 /nfs/dbraw/zinc/91/24/34/344912434.db2.gz CCYTWJAQOFOMDY-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCNCC1 252752274 344912559 /nfs/dbraw/zinc/91/25/59/344912559.db2.gz AIYIKRQHJHZESG-KXUCPTDWSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CCC[NH2+]CC1 252752274 344912562 /nfs/dbraw/zinc/91/25/62/344912562.db2.gz AIYIKRQHJHZESG-KXUCPTDWSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCNCC1 252752275 344912718 /nfs/dbraw/zinc/91/27/18/344912718.db2.gz AIYIKRQHJHZESG-UTLUCORTSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CCC[NH2+]CC1 252752275 344912722 /nfs/dbraw/zinc/91/27/22/344912722.db2.gz AIYIKRQHJHZESG-UTLUCORTSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H]([C@H](C)N)C1 252757645 344912848 /nfs/dbraw/zinc/91/28/48/344912848.db2.gz CCYTWJAQOFOMDY-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H]([C@H](C)N)C1 252757645 344912852 /nfs/dbraw/zinc/91/28/52/344912852.db2.gz CCYTWJAQOFOMDY-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+]([C@H](C)C2(C)CC2)C1 252767287 344913201 /nfs/dbraw/zinc/91/32/01/344913201.db2.gz GNDKYTQQBIVKPB-HBNTYKKESA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 252767287 344913205 /nfs/dbraw/zinc/91/32/05/344913205.db2.gz GNDKYTQQBIVKPB-HBNTYKKESA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+]([C@H](C)C2(C)CC2)C1 252767286 344913318 /nfs/dbraw/zinc/91/33/18/344913318.db2.gz GNDKYTQQBIVKPB-AXFHLTTASA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 252767286 344913319 /nfs/dbraw/zinc/91/33/19/344913319.db2.gz GNDKYTQQBIVKPB-AXFHLTTASA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)N)C1 252778751 344913886 /nfs/dbraw/zinc/91/38/86/344913886.db2.gz LLATYDIRAMZWFE-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)N)C1 252778751 344913888 /nfs/dbraw/zinc/91/38/88/344913888.db2.gz LLATYDIRAMZWFE-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)N)C1 252778750 344913998 /nfs/dbraw/zinc/91/39/98/344913998.db2.gz LLATYDIRAMZWFE-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H]([C@H](C)N)C1 252778750 344914000 /nfs/dbraw/zinc/91/40/00/344914000.db2.gz LLATYDIRAMZWFE-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CCCNCC2)C1 252856804 344916443 /nfs/dbraw/zinc/91/64/43/344916443.db2.gz LAHBANPTCGDYCX-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CCCNCC2)C1 252856804 344916444 /nfs/dbraw/zinc/91/64/44/344916444.db2.gz LAHBANPTCGDYCX-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1[C@H](C)CCC[N@@H+]1CC1CNC1 252853447 344916515 /nfs/dbraw/zinc/91/65/15/344916515.db2.gz JDWKEEKEXYFCII-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H](C)CCC[N@H+]1CC1CNC1 252853447 344916517 /nfs/dbraw/zinc/91/65/17/344916517.db2.gz JDWKEEKEXYFCII-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H](C)CCCN1CC1C[NH2+]C1 252853447 344916518 /nfs/dbraw/zinc/91/65/18/344916518.db2.gz JDWKEEKEXYFCII-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2CN)C1 252857632 344916527 /nfs/dbraw/zinc/91/65/27/344916527.db2.gz LKXWTQMCXQPTNO-QJPTWQEYSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2CN)C1 252857632 344916530 /nfs/dbraw/zinc/91/65/30/344916530.db2.gz LKXWTQMCXQPTNO-QJPTWQEYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1CCC[N@H+](CC2CNC2)[C@H]1C 252853446 344916589 /nfs/dbraw/zinc/91/65/89/344916589.db2.gz JDWKEEKEXYFCII-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCC[N@@H+](CC2CNC2)[C@H]1C 252853446 344916591 /nfs/dbraw/zinc/91/65/91/344916591.db2.gz JDWKEEKEXYFCII-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCCN(CC2C[NH2+]C2)[C@H]1C 252853446 344916594 /nfs/dbraw/zinc/91/65/94/344916594.db2.gz JDWKEEKEXYFCII-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H]1CC[N@@H+]([C@H]2CCCNCC2)C1 252856805 344916648 /nfs/dbraw/zinc/91/66/48/344916648.db2.gz LAHBANPTCGDYCX-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@H+]([C@H]2CCCNCC2)C1 252856805 344916651 /nfs/dbraw/zinc/91/66/51/344916651.db2.gz LAHBANPTCGDYCX-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH+]1C[C@@H]2CCC[C@H]2C1 252863724 344916725 /nfs/dbraw/zinc/91/67/25/344916725.db2.gz OTDXPIWYDLBLBC-RHYQMDGZSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H]2CN)C1 252857634 344916772 /nfs/dbraw/zinc/91/67/72/344916772.db2.gz LKXWTQMCXQPTNO-UTUOFQBUSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2CN)C1 252857634 344916774 /nfs/dbraw/zinc/91/67/74/344916774.db2.gz LKXWTQMCXQPTNO-UTUOFQBUSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH+]1C[C@H]2CCC[C@@H]2C1 252863726 344916794 /nfs/dbraw/zinc/91/67/94/344916794.db2.gz OTDXPIWYDLBLBC-WRWGMCAJSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2CN)C1 252857633 344916820 /nfs/dbraw/zinc/91/68/20/344916820.db2.gz LKXWTQMCXQPTNO-TUAOUCFPSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@H]2CC[C@H]2CN)C1 252857633 344916821 /nfs/dbraw/zinc/91/68/21/344916821.db2.gz LKXWTQMCXQPTNO-TUAOUCFPSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2CN)C1 252868220 344917356 /nfs/dbraw/zinc/91/73/56/344917356.db2.gz RKDMIRONVBXHME-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2CN)C1 252868220 344917357 /nfs/dbraw/zinc/91/73/57/344917357.db2.gz RKDMIRONVBXHME-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H]2CN)C1 252868218 344917442 /nfs/dbraw/zinc/91/74/42/344917442.db2.gz RKDMIRONVBXHME-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2CN)C1 252868218 344917443 /nfs/dbraw/zinc/91/74/43/344917443.db2.gz RKDMIRONVBXHME-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2CN)C1 252868221 344917496 /nfs/dbraw/zinc/91/74/96/344917496.db2.gz RKDMIRONVBXHME-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@H]2CC[C@H]2CN)C1 252868221 344917497 /nfs/dbraw/zinc/91/74/97/344917497.db2.gz RKDMIRONVBXHME-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CC([N@@H+]2CC[C@@H](N)C[C@H]2C)C1 252909875 344918726 /nfs/dbraw/zinc/91/87/26/344918726.db2.gz BGUAISCPDMZYII-WYNUPADASA-N 1 3 182.311 1.597 10 0 ADAEHO CC1CC(N2CC[C@@H]([NH3+])C[C@H]2C)C1 252909875 344918729 /nfs/dbraw/zinc/91/87/29/344918729.db2.gz BGUAISCPDMZYII-WYNUPADASA-N 1 3 182.311 1.597 10 0 ADAEHO CC1CC([N@@H+]2CC[C@H](N)C[C@H]2C)C1 252909874 344918761 /nfs/dbraw/zinc/91/87/61/344918761.db2.gz BGUAISCPDMZYII-WIFZPCQCSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1CC([N@H+]2CC[C@H](N)C[C@H]2C)C1 252909874 344918763 /nfs/dbraw/zinc/91/87/63/344918763.db2.gz BGUAISCPDMZYII-WIFZPCQCSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1CC(N2CC[C@H]([NH3+])C[C@H]2C)C1 252909874 344918766 /nfs/dbraw/zinc/91/87/66/344918766.db2.gz BGUAISCPDMZYII-WIFZPCQCSA-N 1 3 182.311 1.597 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2CC=CC2)C[C@H]1C 252909681 344918869 /nfs/dbraw/zinc/91/88/69/344918869.db2.gz ARZSEYQKXFDIOW-ZYHUDNBSSA-N 1 3 194.322 1.635 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 252931408 344919057 /nfs/dbraw/zinc/91/90/57/344919057.db2.gz BGQRFNRNYXFUIB-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 252931408 344919058 /nfs/dbraw/zinc/91/90/58/344919058.db2.gz BGQRFNRNYXFUIB-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[N@@H+](C2CC=CC2)CC[C@H]1N 252916061 344919073 /nfs/dbraw/zinc/91/90/73/344919073.db2.gz UXNNDYPHGJWZHO-GXSJLCMTSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1C[N@H+](C2CC=CC2)CC[C@H]1N 252916061 344919075 /nfs/dbraw/zinc/91/90/75/344919075.db2.gz UXNNDYPHGJWZHO-GXSJLCMTSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1CN(C2CC=CC2)CC[C@H]1[NH3+] 252916061 344919077 /nfs/dbraw/zinc/91/90/77/344919077.db2.gz UXNNDYPHGJWZHO-GXSJLCMTSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 252931409 344919215 /nfs/dbraw/zinc/91/92/15/344919215.db2.gz BGQRFNRNYXFUIB-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 252931409 344919217 /nfs/dbraw/zinc/91/92/17/344919217.db2.gz BGQRFNRNYXFUIB-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C)C2)CCN1 252931410 344919250 /nfs/dbraw/zinc/91/92/50/344919250.db2.gz BGQRFNRNYXFUIB-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)C2)CCN1 252931410 344919252 /nfs/dbraw/zinc/91/92/52/344919252.db2.gz BGQRFNRNYXFUIB-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@H+](C2CC=CC2)CC[C@H]1N 252916062 344919557 /nfs/dbraw/zinc/91/95/57/344919557.db2.gz UXNNDYPHGJWZHO-MWLCHTKSSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1CN(C2CC=CC2)CC[C@H]1[NH3+] 252916062 344919559 /nfs/dbraw/zinc/91/95/59/344919559.db2.gz UXNNDYPHGJWZHO-MWLCHTKSSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 252936577 344919815 /nfs/dbraw/zinc/91/98/15/344919815.db2.gz GEIFMYVVRNYQAS-VWYCJHECSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 252936577 344919816 /nfs/dbraw/zinc/91/98/16/344919816.db2.gz GEIFMYVVRNYQAS-VWYCJHECSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CN(C2(C)CC2)CC[C@H]1[NH3+] 252937221 344919875 /nfs/dbraw/zinc/91/98/75/344919875.db2.gz GRFYEDWQGDCPAY-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C)CCN1 252936574 344919926 /nfs/dbraw/zinc/91/99/26/344919926.db2.gz GEIFMYVVRNYQAS-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C)CCN1 252936574 344919927 /nfs/dbraw/zinc/91/99/27/344919927.db2.gz GEIFMYVVRNYQAS-MXWKQRLJSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 252936575 344920037 /nfs/dbraw/zinc/92/00/37/344920037.db2.gz GEIFMYVVRNYQAS-OUAUKWLOSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 252936575 344920040 /nfs/dbraw/zinc/92/00/40/344920040.db2.gz GEIFMYVVRNYQAS-OUAUKWLOSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C)CCN1 252936572 344920115 /nfs/dbraw/zinc/92/01/15/344920115.db2.gz GEIFMYVVRNYQAS-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C)CCN1 252936572 344920117 /nfs/dbraw/zinc/92/01/17/344920117.db2.gz GEIFMYVVRNYQAS-GMTAPVOTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[N@@H+](C2(C)CCC2)CC[C@H]1N 252939304 344920723 /nfs/dbraw/zinc/92/07/23/344920723.db2.gz IBVSMLJFJYBKJH-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[N@H+](C2(C)CCC2)CC[C@H]1N 252939304 344920725 /nfs/dbraw/zinc/92/07/25/344920725.db2.gz IBVSMLJFJYBKJH-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CN(C2(C)CCC2)CC[C@H]1[NH3+] 252939304 344920727 /nfs/dbraw/zinc/92/07/27/344920727.db2.gz IBVSMLJFJYBKJH-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@@H+](C2(C)CCC2)CC[C@H]1N 252939301 344920749 /nfs/dbraw/zinc/92/07/49/344920749.db2.gz IBVSMLJFJYBKJH-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@H+](C2(C)CCC2)CC[C@H]1N 252939301 344920751 /nfs/dbraw/zinc/92/07/51/344920751.db2.gz IBVSMLJFJYBKJH-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C2(C)CCC2)CC[C@H]1[NH3+] 252939301 344920753 /nfs/dbraw/zinc/92/07/53/344920753.db2.gz IBVSMLJFJYBKJH-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+][C@H]1CCN(C2(C)CC2)[C@H](C)C1 252956007 344921806 /nfs/dbraw/zinc/92/18/06/344921806.db2.gz RNQUCBWJMGNJRN-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2(C)CC2)[C@H](C)C1 252956006 344921945 /nfs/dbraw/zinc/92/19/45/344921945.db2.gz RNQUCBWJMGNJRN-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@H]1CCN(C2(C)CC2)C[C@H]1C 252964015 344922991 /nfs/dbraw/zinc/92/29/91/344922991.db2.gz WLMVXPYJFHZYMI-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+][C@@H]1CCN(C2(C)CC2)C[C@H]1C 252964014 344923183 /nfs/dbraw/zinc/92/31/83/344923183.db2.gz WLMVXPYJFHZYMI-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CN([C@H](C)CC[NH3+])CCS1 252982748 344923820 /nfs/dbraw/zinc/92/38/20/344923820.db2.gz XVEAQXQYUHOPQM-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[N@H+](C1CCC1)[C@H]1CC[C@H]1CN 252982828 344923909 /nfs/dbraw/zinc/92/39/09/344923909.db2.gz YDXRMPVFEZIHHK-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CCC1)[C@H]1CC[C@H]1CN 252982828 344923911 /nfs/dbraw/zinc/92/39/11/344923911.db2.gz YDXRMPVFEZIHHK-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CCC1)[C@H]1CC[C@H]1C[NH3+] 252982828 344923914 /nfs/dbraw/zinc/92/39/14/344923914.db2.gz YDXRMPVFEZIHHK-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@H+](C1CCC1)[C@@H]1CC[C@H]1CN 252982827 344923991 /nfs/dbraw/zinc/92/39/91/344923991.db2.gz YDXRMPVFEZIHHK-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C1CCC1)[C@@H]1CC[C@H]1CN 252982827 344923992 /nfs/dbraw/zinc/92/39/92/344923992.db2.gz YDXRMPVFEZIHHK-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(C1CCC1)[C@@H]1CC[C@H]1C[NH3+] 252982827 344923993 /nfs/dbraw/zinc/92/39/93/344923993.db2.gz YDXRMPVFEZIHHK-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H](C)C2CCC2)C1 252978793 344924037 /nfs/dbraw/zinc/92/40/37/344924037.db2.gz DSQVZSVSAMIBFO-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H](C)C2CCC2)C1 252978793 344924038 /nfs/dbraw/zinc/92/40/38/344924038.db2.gz DSQVZSVSAMIBFO-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CNC2)CC[C@H]1C 253072459 344925904 /nfs/dbraw/zinc/92/59/04/344925904.db2.gz OAMYYEGQFQNJPK-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CNC2)CC[C@H]1C 253072459 344925908 /nfs/dbraw/zinc/92/59/08/344925908.db2.gz OAMYYEGQFQNJPK-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1CN(CC2C[NH2+]C2)CC[C@H]1C 253072459 344925912 /nfs/dbraw/zinc/92/59/12/344925912.db2.gz OAMYYEGQFQNJPK-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CNC2)C[C@H]1C 253072460 344926096 /nfs/dbraw/zinc/92/60/96/344926096.db2.gz OAMYYEGQFQNJPK-VHSXEESVSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CNC2)C[C@H]1C 253072460 344926098 /nfs/dbraw/zinc/92/60/98/344926098.db2.gz OAMYYEGQFQNJPK-VHSXEESVSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CCN(CC2C[NH2+]C2)C[C@H]1C 253072460 344926100 /nfs/dbraw/zinc/92/61/00/344926100.db2.gz OAMYYEGQFQNJPK-VHSXEESVSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1CN(C2CC([NH3+])C2)CC[C@H]1C 253079890 344926365 /nfs/dbraw/zinc/92/63/65/344926365.db2.gz UZRRGASPVGAFME-NKVNRFPTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@@H](C)[C@H](C)C1 253078876 344926373 /nfs/dbraw/zinc/92/63/73/344926373.db2.gz UCTGDYJUVSDRSU-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@@H](C)[C@H](C)C1 253078876 344926374 /nfs/dbraw/zinc/92/63/74/344926374.db2.gz UCTGDYJUVSDRSU-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1SCC[N@@H+]([C@H](C)CN)[C@@H]1C 253073438 344926390 /nfs/dbraw/zinc/92/63/90/344926390.db2.gz OVPTYVZTRNNLHT-HLTSFMKQSA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@@H]1SCC[N@H+]([C@H](C)CN)[C@@H]1C 253073438 344926391 /nfs/dbraw/zinc/92/63/91/344926391.db2.gz OVPTYVZTRNNLHT-HLTSFMKQSA-N 1 3 188.340 1.159 10 0 ADAEHO C[C@H]1CCN(C2CC([NH3+])C2)C[C@H]1C 253079889 344926400 /nfs/dbraw/zinc/92/64/00/344926400.db2.gz UZRRGASPVGAFME-IZUQBHJASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[C@@H](N)C1 253076904 344926510 /nfs/dbraw/zinc/92/65/10/344926510.db2.gz RPYSIQCOWMOADB-YTWAJWBKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@@H](N)C1 253076904 344926512 /nfs/dbraw/zinc/92/65/12/344926512.db2.gz RPYSIQCOWMOADB-YTWAJWBKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CC[N@@H+](C[C@@H](C)[C@H](C)N)C[C@H]1C 253079370 344926572 /nfs/dbraw/zinc/92/65/72/344926572.db2.gz UNMQDQDLCZFPHU-QCNOEVLYSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1CC[N@H+](C[C@@H](C)[C@H](C)N)C[C@H]1C 253079370 344926574 /nfs/dbraw/zinc/92/65/74/344926574.db2.gz UNMQDQDLCZFPHU-QCNOEVLYSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 253079369 344926593 /nfs/dbraw/zinc/92/65/93/344926593.db2.gz UNMQDQDLCZFPHU-KKOKHZNYSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C)C1 253079369 344926594 /nfs/dbraw/zinc/92/65/94/344926594.db2.gz UNMQDQDLCZFPHU-KKOKHZNYSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[C@H](N)C1 253076903 344926627 /nfs/dbraw/zinc/92/66/27/344926627.db2.gz RPYSIQCOWMOADB-RCWTZXSCSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@H](N)C1 253076903 344926629 /nfs/dbraw/zinc/92/66/29/344926629.db2.gz RPYSIQCOWMOADB-RCWTZXSCSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[C@H]1CN 253078588 344926688 /nfs/dbraw/zinc/92/66/88/344926688.db2.gz TWDOYXDZYQLFBC-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@H]1CN 253078588 344926690 /nfs/dbraw/zinc/92/66/90/344926690.db2.gz TWDOYXDZYQLFBC-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 253078875 344926786 /nfs/dbraw/zinc/92/67/86/344926786.db2.gz UCTGDYJUVSDRSU-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@H](C)[C@@H](C)C1 253078875 344926788 /nfs/dbraw/zinc/92/67/88/344926788.db2.gz UCTGDYJUVSDRSU-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)CC[N@@H+]1CC[C@H](C)[C@H](C)C1 253078874 344926811 /nfs/dbraw/zinc/92/68/11/344926811.db2.gz UCTGDYJUVSDRSU-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H](N)CC[N@H+]1CC[C@H](C)[C@H](C)C1 253078874 344926814 /nfs/dbraw/zinc/92/68/14/344926814.db2.gz UCTGDYJUVSDRSU-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[C@@H]1CN 253078590 344926843 /nfs/dbraw/zinc/92/68/43/344926843.db2.gz TWDOYXDZYQLFBC-YTWAJWBKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 253079371 344926873 /nfs/dbraw/zinc/92/68/73/344926873.db2.gz UNMQDQDLCZFPHU-YFKTTZPYSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@H](N)[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C)C1 253079371 344926875 /nfs/dbraw/zinc/92/68/75/344926875.db2.gz UNMQDQDLCZFPHU-YFKTTZPYSA-N 1 3 198.354 1.948 10 0 ADAEHO CC1=CCN([C@@H]2CC[C@H]2C[NH3+])CC1 253152488 344928776 /nfs/dbraw/zinc/92/87/76/344928776.db2.gz JJJTZOXFLFNLAE-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCN([C@H]2CC[C@H]2C[NH3+])CC1 253152487 344928794 /nfs/dbraw/zinc/92/87/94/344928794.db2.gz JJJTZOXFLFNLAE-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CC[N@@H+]([C@H]2CCC[C@H]2CN)CC1 253166079 344929132 /nfs/dbraw/zinc/92/91/32/344929132.db2.gz ZRVCVXCUCZMNNW-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=CC[N@H+]([C@H]2CCC[C@H]2CN)CC1 253166079 344929134 /nfs/dbraw/zinc/92/91/34/344929134.db2.gz ZRVCVXCUCZMNNW-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=CC[N@@H+]([C@@H]2CCC[C@H]2CN)CC1 253166078 344929154 /nfs/dbraw/zinc/92/91/54/344929154.db2.gz ZRVCVXCUCZMNNW-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=CC[N@H+]([C@@H]2CCC[C@H]2CN)CC1 253166078 344929158 /nfs/dbraw/zinc/92/91/58/344929158.db2.gz ZRVCVXCUCZMNNW-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CCC2)C[C@H]1CN 253185288 344930365 /nfs/dbraw/zinc/93/03/65/344930365.db2.gz HYRJZLAPUVKMNH-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[N@H+](C2CCC2)C[C@H]1CN 253185288 344930367 /nfs/dbraw/zinc/93/03/67/344930367.db2.gz HYRJZLAPUVKMNH-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCN(C2CCC2)C[C@H]1C[NH3+] 253185288 344930371 /nfs/dbraw/zinc/93/03/71/344930371.db2.gz HYRJZLAPUVKMNH-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CCC2)C[C@H]1CN 253185287 344930438 /nfs/dbraw/zinc/93/04/38/344930438.db2.gz HYRJZLAPUVKMNH-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CCC2)C[C@H]1CN 253185287 344930440 /nfs/dbraw/zinc/93/04/40/344930440.db2.gz HYRJZLAPUVKMNH-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCN(C2CCC2)C[C@H]1C[NH3+] 253185287 344930443 /nfs/dbraw/zinc/93/04/43/344930443.db2.gz HYRJZLAPUVKMNH-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 253198576 344931439 /nfs/dbraw/zinc/93/14/39/344931439.db2.gz VTIKRCCCZDGNDC-GRYCIOLGSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 253198576 344931440 /nfs/dbraw/zinc/93/14/40/344931440.db2.gz VTIKRCCCZDGNDC-GRYCIOLGSA-N 1 3 198.354 1.948 10 0 ADAEHO CCCC(=[NH2+])N[C@@H]1CCN(C)C[C@H]1C 253201380 344931532 /nfs/dbraw/zinc/93/15/32/344931532.db2.gz AZDPWDDJZAHAGN-NXEZZACHSA-N 1 3 197.326 1.694 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 253198578 344931573 /nfs/dbraw/zinc/93/15/73/344931573.db2.gz VTIKRCCCZDGNDC-SDDRHHMPSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 253198578 344931574 /nfs/dbraw/zinc/93/15/74/344931574.db2.gz VTIKRCCCZDGNDC-SDDRHHMPSA-N 1 3 198.354 1.948 10 0 ADAEHO CCCC(=[NH2+])N[C@H]1CCN(C)C[C@H]1C 253201382 344931661 /nfs/dbraw/zinc/93/16/61/344931661.db2.gz AZDPWDDJZAHAGN-ZJUUUORDSA-N 1 3 197.326 1.694 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2N)C1 253279367 344931929 /nfs/dbraw/zinc/93/19/29/344931929.db2.gz JYCQJMDUHVFMMG-NOOOWODRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](N)C2)C1 253213526 344932077 /nfs/dbraw/zinc/93/20/77/344932077.db2.gz CATWCXNAFPVHAK-ZNSHCXBVSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]2N)C1 253279368 344932137 /nfs/dbraw/zinc/93/21/37/344932137.db2.gz JYCQJMDUHVFMMG-WISYIIOYSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N)C2)C1 253213525 344932207 /nfs/dbraw/zinc/93/22/07/344932207.db2.gz CATWCXNAFPVHAK-RCWTZXSCSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H]1CN(C)CC[C@H]1N1CCCC1=[NH2+] 253290537 344932498 /nfs/dbraw/zinc/93/24/98/344932498.db2.gz PWBPHIMRYWCDFR-VHSXEESVSA-N 1 3 195.310 1.400 10 0 ADAEHO C[C@@H]1CN(C)CC[C@H]1N1CCCC1=[NH2+] 253290536 344932850 /nfs/dbraw/zinc/93/28/50/344932850.db2.gz PWBPHIMRYWCDFR-NXEZZACHSA-N 1 3 195.310 1.400 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2N)C1 253279369 344932954 /nfs/dbraw/zinc/93/29/54/344932954.db2.gz JYCQJMDUHVFMMG-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC(=[NH2+])N[C@H]1CCN(C)C[C@H]1C 253305471 344933140 /nfs/dbraw/zinc/93/31/40/344933140.db2.gz SKIUGIKJDCHJKX-BDAKNGLRSA-N 1 3 183.299 1.303 10 0 ADAEHO CC[C@H]1CN(CC)CC[C@H]1[NH2+]C 253312978 344933372 /nfs/dbraw/zinc/93/33/72/344933372.db2.gz WLUUDEBDPJWSAA-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CN(CC)CC[C@H]1[NH2+]C 253312977 344933473 /nfs/dbraw/zinc/93/34/73/344933473.db2.gz WLUUDEBDPJWSAA-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCC(=[NH2+])N[C@@H]1CCN(C)C[C@H]1C 253305472 344933564 /nfs/dbraw/zinc/93/35/64/344933564.db2.gz SKIUGIKJDCHJKX-RKDXNWHRSA-N 1 3 183.299 1.303 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]3C[C@@H]32)C1 253619120 344935043 /nfs/dbraw/zinc/93/50/43/344935043.db2.gz FXSUQZIMRAJGSN-WHOHXGKFSA-N 1 3 194.322 1.456 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]3C[C@H]32)C1 253619119 344935115 /nfs/dbraw/zinc/93/51/15/344935115.db2.gz FXSUQZIMRAJGSN-NNYUYHANSA-N 1 3 194.322 1.456 10 0 ADAEHO C/C=C/CN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 253630817 344935542 /nfs/dbraw/zinc/93/55/42/344935542.db2.gz BXBOAZJUTLHBQE-ZSZQYCITSA-N 1 3 180.295 1.102 10 0 ADAEHO C/C=C/CN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 253630816 344935561 /nfs/dbraw/zinc/93/55/61/344935561.db2.gz BXBOAZJUTLHBQE-QDVNPKLESA-N 1 3 180.295 1.102 10 0 ADAEHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 258758643 344945490 /nfs/dbraw/zinc/94/54/90/344945490.db2.gz AMQIGHGPNIUCJR-UWVGGRQHSA-N 1 3 196.319 1.718 10 0 ADAEHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccs1 258758637 344945932 /nfs/dbraw/zinc/94/59/32/344945932.db2.gz AMQIGHGPNIUCJR-NXEZZACHSA-N 1 3 196.319 1.718 10 0 ADAEHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccs1 258758657 344945993 /nfs/dbraw/zinc/94/59/93/344945993.db2.gz AMQIGHGPNIUCJR-ZJUUUORDSA-N 1 3 196.319 1.718 10 0 ADAEHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccs1 258758650 344946007 /nfs/dbraw/zinc/94/60/07/344946007.db2.gz AMQIGHGPNIUCJR-VHSXEESVSA-N 1 3 196.319 1.718 10 0 ADAEHO CC1CC([N@@H+]2C[C@H](CN)C[C@H]2C)C1 300014549 344962608 /nfs/dbraw/zinc/96/26/08/344962608.db2.gz PZIWQRSZEBLBDB-WIFZPCQCSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@H+]2C[C@H](CN)C[C@H]2C)C1 300014549 344962609 /nfs/dbraw/zinc/96/26/09/344962609.db2.gz PZIWQRSZEBLBDB-WIFZPCQCSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@@H+]2C[C@@H](CN)C[C@H]2C)C1 300014550 344962740 /nfs/dbraw/zinc/96/27/40/344962740.db2.gz PZIWQRSZEBLBDB-WYNUPADASA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@H+]2C[C@@H](CN)C[C@H]2C)C1 300014550 344962742 /nfs/dbraw/zinc/96/27/42/344962742.db2.gz PZIWQRSZEBLBDB-WYNUPADASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CCN(C2CC2)C[C@H]1C[NH3+] 300035707 344963516 /nfs/dbraw/zinc/96/35/16/344963516.db2.gz IHNHACJUUOPBTE-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CC2)C[C@H]1CN 300035707 344963519 /nfs/dbraw/zinc/96/35/19/344963519.db2.gz IHNHACJUUOPBTE-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CC2)C[C@H]1CN 300035707 344963521 /nfs/dbraw/zinc/96/35/21/344963521.db2.gz IHNHACJUUOPBTE-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H]1CN(C2CC2)CC[C@H]1[NH3+] 300035773 344963667 /nfs/dbraw/zinc/96/36/67/344963667.db2.gz LNOLTVJLCXQBKL-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCN(C2CC2)C[C@H]1C[NH3+] 300035706 344963770 /nfs/dbraw/zinc/96/37/70/344963770.db2.gz IHNHACJUUOPBTE-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[N@@H+](C2CC2)C[C@H]1CN 300035706 344963772 /nfs/dbraw/zinc/96/37/72/344963772.db2.gz IHNHACJUUOPBTE-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CC[N@H+](C2CC2)C[C@H]1CN 300035706 344963774 /nfs/dbraw/zinc/96/37/74/344963774.db2.gz IHNHACJUUOPBTE-DTWKUNHWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CN(CCC2CC2)C[C@H]1[NH3+] 300046851 344965444 /nfs/dbraw/zinc/96/54/44/344965444.db2.gz ANUIIYMVUBAMCJ-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1CN(CCC2CC2)C[C@H]1[NH3+] 300046852 344965547 /nfs/dbraw/zinc/96/55/47/344965547.db2.gz ANUIIYMVUBAMCJ-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO CCSCC[N@@H+]1C[C@H](C)[C@H](N)C1 300047463 344965919 /nfs/dbraw/zinc/96/59/19/344965919.db2.gz DWYZUCUHNRXFCK-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO CCSCC[N@H+]1C[C@H](C)[C@H](N)C1 300047463 344965923 /nfs/dbraw/zinc/96/59/23/344965923.db2.gz DWYZUCUHNRXFCK-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1CN(CC2CCCC2)C[C@H]1[NH3+] 300049413 344967245 /nfs/dbraw/zinc/96/72/45/344967245.db2.gz RNMZRCMRGDEUIE-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 300052247 344967478 /nfs/dbraw/zinc/96/74/78/344967478.db2.gz FLGJRKYGGOWYHY-XHNCKOQMSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CN(CC2CCC2)C[C@H]1[NH3+] 300050127 344967499 /nfs/dbraw/zinc/96/74/99/344967499.db2.gz XJYRTBKXYDPYQL-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CC(N2C[C@H](C)[C@H]([NH3+])C2)C1 300049636 344967637 /nfs/dbraw/zinc/96/76/37/344967637.db2.gz TZEUCUYTKOVSET-RVXWLBMTSA-N 1 3 168.284 1.064 10 0 ADAEHO CC1CC(N2C[C@@H]([NH3+])[C@H](C)C2)C1 300049635 344967663 /nfs/dbraw/zinc/96/76/63/344967663.db2.gz TZEUCUYTKOVSET-QLVNRRSVSA-N 1 3 168.284 1.064 10 0 ADAEHO CC[C@H](C)N1C[C@H](C)[C@@H]([NH3+])C1 300052243 344967836 /nfs/dbraw/zinc/96/78/36/344967836.db2.gz FLGJRKYGGOWYHY-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CCN1[C@H]1CCC[NH2+]CC1 300208077 344970585 /nfs/dbraw/zinc/97/05/85/344970585.db2.gz ADLADZICACGTLM-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CCN1[C@H]1CC[NH2+][C@H](C)C1 300209099 344970654 /nfs/dbraw/zinc/97/06/54/344970654.db2.gz FQROMONQUBZWBK-UTLUCORTSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@H]1CCN[C@H](C)C1 300209099 344970655 /nfs/dbraw/zinc/97/06/55/344970655.db2.gz FQROMONQUBZWBK-UTLUCORTSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@H]1CCN[C@H](C)C1 300209099 344970658 /nfs/dbraw/zinc/97/06/58/344970658.db2.gz FQROMONQUBZWBK-UTLUCORTSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CCN1[C@@H]1CC[NH2+][C@H](C)C1 300209097 344970709 /nfs/dbraw/zinc/97/07/09/344970709.db2.gz FQROMONQUBZWBK-KXUCPTDWSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H]1CCN[C@H](C)C1 300209097 344970710 /nfs/dbraw/zinc/97/07/10/344970710.db2.gz FQROMONQUBZWBK-KXUCPTDWSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H]1CCN[C@H](C)C1 300209097 344970712 /nfs/dbraw/zinc/97/07/12/344970712.db2.gz FQROMONQUBZWBK-KXUCPTDWSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H](N2CC[C@H]2C)CC[NH2+]1 300209098 344970718 /nfs/dbraw/zinc/97/07/18/344970718.db2.gz FQROMONQUBZWBK-OPRDCNLKSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]2C)CCN1 300209098 344970720 /nfs/dbraw/zinc/97/07/20/344970720.db2.gz FQROMONQUBZWBK-OPRDCNLKSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2C)CCN1 300209098 344970721 /nfs/dbraw/zinc/97/07/21/344970721.db2.gz FQROMONQUBZWBK-OPRDCNLKSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@@H](N2CC[C@H]2C)CC[NH2+]1 300209096 344970741 /nfs/dbraw/zinc/97/07/41/344970741.db2.gz FQROMONQUBZWBK-BBBLOLIVSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]2C)CCN1 300209096 344970742 /nfs/dbraw/zinc/97/07/42/344970742.db2.gz FQROMONQUBZWBK-BBBLOLIVSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]2C)CCN1 300209096 344970743 /nfs/dbraw/zinc/97/07/43/344970743.db2.gz FQROMONQUBZWBK-BBBLOLIVSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1CCN1[C@H]1CCC[NH2+]CC1 300208079 344970746 /nfs/dbraw/zinc/97/07/46/344970746.db2.gz ADLADZICACGTLM-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](CN)C2)C1 300241096 344972838 /nfs/dbraw/zinc/97/28/38/344972838.db2.gz HTWPQESQBWSIFV-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](CN)C2)C1 300241096 344972840 /nfs/dbraw/zinc/97/28/40/344972840.db2.gz HTWPQESQBWSIFV-GRYCIOLGSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H](CN)C2)C1 300241098 344972926 /nfs/dbraw/zinc/97/29/26/344972926.db2.gz HTWPQESQBWSIFV-IJLUTSLNSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](CN)C2)C1 300241098 344972929 /nfs/dbraw/zinc/97/29/29/344972929.db2.gz HTWPQESQBWSIFV-IJLUTSLNSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@H](CN2CC[C@H]([NH3+])C2)C1 300240644 344972956 /nfs/dbraw/zinc/97/29/56/344972956.db2.gz FHTLMYJNDICGLB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@H]1CN1CC[C@H]([NH3+])C1 300239735 344973128 /nfs/dbraw/zinc/97/31/28/344973128.db2.gz AVSPBSDTAIMTTL-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H]1CN1CC[C@H]([NH3+])C1 300239734 344973212 /nfs/dbraw/zinc/97/32/12/344973212.db2.gz AVSPBSDTAIMTTL-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@H+](C)[C@H](C)C1 300344346 344974685 /nfs/dbraw/zinc/97/46/85/344974685.db2.gz QDGXQSRMIQVPJO-XKFHPXPTSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 300344346 344974688 /nfs/dbraw/zinc/97/46/88/344974688.db2.gz QDGXQSRMIQVPJO-XKFHPXPTSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@@H+]1C[C@H](C)NCC[C@H]1C 300342254 344974734 /nfs/dbraw/zinc/97/47/34/344974734.db2.gz ATWCYQOAPUJDEJ-BXXZLRJFSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@H+]1C[C@H](C)NCC[C@H]1C 300342254 344974735 /nfs/dbraw/zinc/97/47/35/344974735.db2.gz ATWCYQOAPUJDEJ-BXXZLRJFSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@@H+]1C[C@@H](C)NCC[C@H]1C 300342255 344974983 /nfs/dbraw/zinc/97/49/83/344974983.db2.gz ATWCYQOAPUJDEJ-XKFHPXPTSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C/C[N@H+]1C[C@@H](C)NCC[C@H]1C 300342255 344974986 /nfs/dbraw/zinc/97/49/86/344974986.db2.gz ATWCYQOAPUJDEJ-XKFHPXPTSA-N 1 3 182.311 1.635 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2(C)CC2)C[C@H]1C 300362653 344977222 /nfs/dbraw/zinc/97/72/22/344977222.db2.gz CTGVOUZVXPJGCZ-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2(C)CC2)C[C@H]1C 300362652 344977499 /nfs/dbraw/zinc/97/74/99/344977499.db2.gz CTGVOUZVXPJGCZ-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1CC1(C)CC1 300370976 344977710 /nfs/dbraw/zinc/97/77/10/344977710.db2.gz LHEUWESPXONTDB-DCAQKATOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1CC1(C)CC1 300370976 344977712 /nfs/dbraw/zinc/97/77/12/344977712.db2.gz LHEUWESPXONTDB-DCAQKATOSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CC1(C)CC1 300370976 344977714 /nfs/dbraw/zinc/97/77/14/344977714.db2.gz LHEUWESPXONTDB-DCAQKATOSA-N 1 3 196.338 1.844 10 0 ADAEHO CN1CCC[C@H]1CN1CCCCC1=[NH2+] 300369643 344977842 /nfs/dbraw/zinc/97/78/42/344977842.db2.gz ZLRKTJCNLIUHGL-JTQLQIEISA-N 1 3 195.310 1.544 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@@H+]1CCC[C@H](N)C1 300373529 344978388 /nfs/dbraw/zinc/97/83/88/344978388.db2.gz APMLQCNRHSNHID-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@H]1[N@H+]1CCC[C@H](N)C1 300373529 344978390 /nfs/dbraw/zinc/97/83/90/344978390.db2.gz APMLQCNRHSNHID-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CCC[C@H](N)C1 300373530 344978477 /nfs/dbraw/zinc/97/84/77/344978477.db2.gz APMLQCNRHSNHID-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CCC[C@H](N)C1 300373530 344978479 /nfs/dbraw/zinc/97/84/79/344978479.db2.gz APMLQCNRHSNHID-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+][C@H]1CCN(CC2(C)CC2)[C@H](C)C1 300371121 344978532 /nfs/dbraw/zinc/97/85/32/344978532.db2.gz LPXLMKAJQBBPJZ-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@H+](CC2(C)CC2)[C@H](C)C1 300371121 344978534 /nfs/dbraw/zinc/97/85/34/344978534.db2.gz LPXLMKAJQBBPJZ-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[N@@H+](CC2(C)CC2)[C@H](C)C1 300371121 344978536 /nfs/dbraw/zinc/97/85/36/344978536.db2.gz LPXLMKAJQBBPJZ-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC2(C)CC2)[C@H](C)C1 300371119 344978584 /nfs/dbraw/zinc/97/85/84/344978584.db2.gz LPXLMKAJQBBPJZ-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@H+](CC2(C)CC2)[C@H](C)C1 300371119 344978588 /nfs/dbraw/zinc/97/85/88/344978588.db2.gz LPXLMKAJQBBPJZ-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[N@@H+](CC2(C)CC2)[C@H](C)C1 300371119 344978591 /nfs/dbraw/zinc/97/85/91/344978591.db2.gz LPXLMKAJQBBPJZ-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@H+]1CC1(C)CC1 300370978 344978651 /nfs/dbraw/zinc/97/86/51/344978651.db2.gz LHEUWESPXONTDB-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@H](N)CC[N@@H+]1CC1(C)CC1 300370978 344978654 /nfs/dbraw/zinc/97/86/54/344978654.db2.gz LHEUWESPXONTDB-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1CC1(C)CC1 300370978 344978656 /nfs/dbraw/zinc/97/86/56/344978656.db2.gz LHEUWESPXONTDB-GARJFASQSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])[C@@H](C)C1 300375761 344978947 /nfs/dbraw/zinc/97/89/47/344978947.db2.gz DFDCXCPJZNDZCM-USZNOCQGSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CC[NH2+]C[C@H](C)C1 300376337 344978962 /nfs/dbraw/zinc/97/89/62/344978962.db2.gz DUKBWIYYCWRUIC-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[NH2+]C[C@H](C)C1 300376335 344979097 /nfs/dbraw/zinc/97/90/97/344979097.db2.gz DUKBWIYYCWRUIC-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])[C@H](C)C1 300375760 344979222 /nfs/dbraw/zinc/97/92/22/344979222.db2.gz DFDCXCPJZNDZCM-KKOKHZNYSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])[C@H](C)C1 300380667 344979408 /nfs/dbraw/zinc/97/94/08/344979408.db2.gz IPRQJPVFWVUSRH-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])[C@H](C)C1 300380665 344979592 /nfs/dbraw/zinc/97/95/92/344979592.db2.gz IPRQJPVFWVUSRH-DBIOUOCHSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)C[C@H]1CN1CC[C@H]([NH3+])C1 300378206 344979640 /nfs/dbraw/zinc/97/96/40/344979640.db2.gz GRFSECOBLSDPMF-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)C[C@@H]1CN1CC[C@H]([NH3+])C1 300378205 344979703 /nfs/dbraw/zinc/97/97/03/344979703.db2.gz GRFSECOBLSDPMF-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])[C@@H](C)C1 300380666 344979727 /nfs/dbraw/zinc/97/97/27/344979727.db2.gz IPRQJPVFWVUSRH-VLEAKVRGSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@@H]1C[C@H]1N1CCC[NH2+][C@H](C)C1 300382905 344979979 /nfs/dbraw/zinc/97/99/79/344979979.db2.gz KWUDLVQYXCQWTA-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CCC[NH2+][C@H](C)C1 300382906 344980006 /nfs/dbraw/zinc/98/00/06/344980006.db2.gz KWUDLVQYXCQWTA-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1(C)C[C@H]1C[N@@H+]1CC[C@H](CN)C1 300385041 344980041 /nfs/dbraw/zinc/98/00/41/344980041.db2.gz MYBLTJPPPGMWGO-ZJUUUORDSA-N 1 3 182.311 1.313 10 0 ADAEHO CC1(C)C[C@H]1C[N@H+]1CC[C@H](CN)C1 300385041 344980043 /nfs/dbraw/zinc/98/00/43/344980043.db2.gz MYBLTJPPPGMWGO-ZJUUUORDSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H]1C[N@H+](CC2(C)CCC2)CC[C@H]1N 300384538 344980257 /nfs/dbraw/zinc/98/02/57/344980257.db2.gz MOGLZXNTTHABGM-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1N 300384538 344980260 /nfs/dbraw/zinc/98/02/60/344980260.db2.gz MOGLZXNTTHABGM-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CN(CC2(C)CCC2)CC[C@H]1[NH3+] 300384538 344980263 /nfs/dbraw/zinc/98/02/63/344980263.db2.gz MOGLZXNTTHABGM-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[C@@H]1C[N@@H+]1CC[C@H](CN)C1 300385039 344980284 /nfs/dbraw/zinc/98/02/84/344980284.db2.gz MYBLTJPPPGMWGO-NXEZZACHSA-N 1 3 182.311 1.313 10 0 ADAEHO CC1(C)C[C@@H]1C[N@H+]1CC[C@H](CN)C1 300385039 344980285 /nfs/dbraw/zinc/98/02/85/344980285.db2.gz MYBLTJPPPGMWGO-NXEZZACHSA-N 1 3 182.311 1.313 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])C[C@@H]1C 300391582 344981392 /nfs/dbraw/zinc/98/13/92/344981392.db2.gz VWHDJZXWXQUVFO-VLEAKVRGSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](N)C[C@@H]1C 300391582 344981394 /nfs/dbraw/zinc/98/13/94/344981394.db2.gz VWHDJZXWXQUVFO-VLEAKVRGSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H](N)C[C@@H]1C 300391582 344981396 /nfs/dbraw/zinc/98/13/96/344981396.db2.gz VWHDJZXWXQUVFO-VLEAKVRGSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@@H]([NH3+])C[C@H]1C 300391581 344981496 /nfs/dbraw/zinc/98/14/96/344981496.db2.gz VWHDJZXWXQUVFO-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H](N)C[C@H]1C 300391581 344981499 /nfs/dbraw/zinc/98/14/99/344981499.db2.gz VWHDJZXWXQUVFO-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H](N)C[C@H]1C 300391581 344981502 /nfs/dbraw/zinc/98/15/02/344981502.db2.gz VWHDJZXWXQUVFO-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1N1CC[C@H]([NH3+])C[C@H]1C 300391583 344981557 /nfs/dbraw/zinc/98/15/57/344981557.db2.gz VWHDJZXWXQUVFO-ZNSHCXBVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](N)C[C@H]1C 300391583 344981561 /nfs/dbraw/zinc/98/15/61/344981561.db2.gz VWHDJZXWXQUVFO-ZNSHCXBVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H](N)C[C@H]1C 300391583 344981565 /nfs/dbraw/zinc/98/15/65/344981565.db2.gz VWHDJZXWXQUVFO-ZNSHCXBVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1=CCCN([C@H]2CC[C@H]2C[NH3+])C1 300400202 344982096 /nfs/dbraw/zinc/98/20/96/344982096.db2.gz PIQNDORURXYZAN-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@@H+]([C@H]2CC[C@H]2CN)C1 300400202 344982099 /nfs/dbraw/zinc/98/20/99/344982099.db2.gz PIQNDORURXYZAN-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@H+]([C@H]2CC[C@H]2CN)C1 300400202 344982100 /nfs/dbraw/zinc/98/21/00/344982100.db2.gz PIQNDORURXYZAN-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCCN(C[C@H]2C[NH2+]C[C@H]2C)C1 300399992 344982110 /nfs/dbraw/zinc/98/21/10/344982110.db2.gz AQQVCUUDHHQFOD-VXGBXAGGSA-N 1 3 194.322 1.494 10 0 ADAEHO CC1=CCCN([C@@H]2CC[C@H]2C[NH3+])C1 300400203 344982244 /nfs/dbraw/zinc/98/22/44/344982244.db2.gz PIQNDORURXYZAN-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@@H+]([C@@H]2CC[C@H]2CN)C1 300400203 344982247 /nfs/dbraw/zinc/98/22/47/344982247.db2.gz PIQNDORURXYZAN-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO CC1=CCC[N@H+]([C@@H]2CC[C@H]2CN)C1 300400203 344982251 /nfs/dbraw/zinc/98/22/51/344982251.db2.gz PIQNDORURXYZAN-WDEREUQCSA-N 1 3 180.295 1.376 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCNCC1(C)C 300740121 344985277 /nfs/dbraw/zinc/98/52/77/344985277.db2.gz AFWISVQGKHLRPY-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCNCC1(C)C 300740121 344985279 /nfs/dbraw/zinc/98/52/79/344985279.db2.gz AFWISVQGKHLRPY-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCN(C)[C@@H]1CC[NH2+]CC1(C)C 300740121 344985280 /nfs/dbraw/zinc/98/52/80/344985280.db2.gz AFWISVQGKHLRPY-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCNCC1(C)C 300783955 344996993 /nfs/dbraw/zinc/99/69/93/344996993.db2.gz VXFCJIMMOGGVCT-SECBINFHSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)[NH2+][C@H]1CCNCC1(C)C 300783956 344997180 /nfs/dbraw/zinc/99/71/80/344997180.db2.gz VXFCJIMMOGGVCT-VIFPVBQESA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCNCC1(C)C)C1CC1 300789658 344998159 /nfs/dbraw/zinc/99/81/59/344998159.db2.gz CQXVIBUZTHZVEL-KOLCDFICSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCNCC1(C)C)C1CC1 300789653 344998268 /nfs/dbraw/zinc/99/82/68/344998268.db2.gz CQXVIBUZTHZVEL-GXSJLCMTSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCNCC1(C)C)C1CC1 300789668 344998324 /nfs/dbraw/zinc/99/83/24/344998324.db2.gz CQXVIBUZTHZVEL-ONGXEEELSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCNCC1(C)C)C1CC1 300789664 344998392 /nfs/dbraw/zinc/99/83/92/344998392.db2.gz CQXVIBUZTHZVEL-MWLCHTKSSA-N 1 3 196.338 1.763 10 0 ADAEHO CN(C1CCC1)[C@@H]1CC[NH2+]CC1(C)C 300810159 345000524 /nfs/dbraw/zinc/00/05/24/345000524.db2.gz GZEADNZVANUHLF-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCNCC1(C)C 300810091 345000566 /nfs/dbraw/zinc/00/05/66/345000566.db2.gz GYSLQYCXPPLUNY-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCNCC1(C)C 300810091 345000567 /nfs/dbraw/zinc/00/05/67/345000567.db2.gz GYSLQYCXPPLUNY-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO CN(C1CCC1)[C@H]1CC[NH2+]CC1(C)C 300810163 345000587 /nfs/dbraw/zinc/00/05/87/345000587.db2.gz GZEADNZVANUHLF-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCNCC1(C)C 300810094 345000648 /nfs/dbraw/zinc/00/06/48/345000648.db2.gz GYSLQYCXPPLUNY-SNVBAGLBSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCNCC1(C)C 300810094 345000649 /nfs/dbraw/zinc/00/06/49/345000649.db2.gz GYSLQYCXPPLUNY-SNVBAGLBSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH2+]C1CC=CC1 300806300 345000663 /nfs/dbraw/zinc/00/06/63/345000663.db2.gz GJQABGLDFSUCBX-LLVKDONJSA-N 1 3 194.322 1.683 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH2+]C1CC=CC1 300806301 345000694 /nfs/dbraw/zinc/00/06/94/345000694.db2.gz GJQABGLDFSUCBX-NSHDSACASA-N 1 3 194.322 1.683 10 0 ADAEHO CC(C)N(C)[C@H]1CC[NH2+]CC1(C)C 300817955 345001692 /nfs/dbraw/zinc/00/16/92/345001692.db2.gz IIDBTXCQXSROOS-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO C[NH2+]C[C@@H]1CCCCCCN1 300818329 345001743 /nfs/dbraw/zinc/00/17/43/345001743.db2.gz BEFCEPJOARRUGP-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO C[NH2+]C[C@H]1CCCCCCN1 300818326 345001940 /nfs/dbraw/zinc/00/19/40/345001940.db2.gz BEFCEPJOARRUGP-SECBINFHSA-N 1 3 156.273 1.128 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[NH2+]CC1(C)C 300817957 345001956 /nfs/dbraw/zinc/00/19/56/345001956.db2.gz IIDBTXCQXSROOS-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH2+]C1CCC1 300841206 345004595 /nfs/dbraw/zinc/00/45/95/345004595.db2.gz MGKCFDWZKGPXBV-SNVBAGLBSA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH2+]C1CCC1 300841205 345004830 /nfs/dbraw/zinc/00/48/30/345004830.db2.gz MGKCFDWZKGPXBV-JTQLQIEISA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)=CCN[C@H]1CC[NH2+]CC1(C)C 300869659 345007780 /nfs/dbraw/zinc/00/77/80/345007780.db2.gz QLDLRVFDIDWWMZ-NSHDSACASA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CC[NH2+][C@H]1CCNCC1(C)C 300869659 345007781 /nfs/dbraw/zinc/00/77/81/345007781.db2.gz QLDLRVFDIDWWMZ-NSHDSACASA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CCN[C@@H]1CC[NH2+]CC1(C)C 300869658 345007789 /nfs/dbraw/zinc/00/77/89/345007789.db2.gz QLDLRVFDIDWWMZ-LLVKDONJSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CC[NH2+][C@@H]1CCNCC1(C)C 300869658 345007790 /nfs/dbraw/zinc/00/77/90/345007790.db2.gz QLDLRVFDIDWWMZ-LLVKDONJSA-N 1 3 196.338 1.930 10 0 ADAEHO CCN(C1CC1)[C@@H]1CC[NH2+]CC1(C)C 300908754 345011854 /nfs/dbraw/zinc/01/18/54/345011854.db2.gz XAOZVWGIFBPBBR-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO C1CCC[C@H](C[NH2+]C2CC2)NCC1 301032553 345029809 /nfs/dbraw/zinc/02/98/09/345029809.db2.gz RZPJXBWHLIAQRE-LLVKDONJSA-N 1 3 182.311 1.661 10 0 ADAEHO C1CCC[C@@H](C[NH2+]C2CC2)NCC1 301032554 345029915 /nfs/dbraw/zinc/02/99/15/345029915.db2.gz RZPJXBWHLIAQRE-NSHDSACASA-N 1 3 182.311 1.661 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 306150239 345039658 /nfs/dbraw/zinc/03/96/58/345039658.db2.gz FYEQREKGCNESEV-CHWFTXMASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 306150239 345039662 /nfs/dbraw/zinc/03/96/62/345039662.db2.gz FYEQREKGCNESEV-CHWFTXMASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 306150250 345039705 /nfs/dbraw/zinc/03/97/05/345039705.db2.gz FYEQREKGCNESEV-LNFKQOIKSA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 306150250 345039706 /nfs/dbraw/zinc/03/97/06/345039706.db2.gz FYEQREKGCNESEV-LNFKQOIKSA-N 1 3 180.295 1.079 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])[C@@H]1C 306151140 345040646 /nfs/dbraw/zinc/04/06/46/345040646.db2.gz BQAVEIYSGMHPAG-CIUDSAMLSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])[C@H]1C 306151146 345040749 /nfs/dbraw/zinc/04/07/49/345040749.db2.gz BQAVEIYSGMHPAG-YIZRAAEISA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])[C@@H]1C 306151144 345040805 /nfs/dbraw/zinc/04/08/05/345040805.db2.gz BQAVEIYSGMHPAG-XHNCKOQMSA-N 1 3 156.273 1.206 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C 306151142 345040898 /nfs/dbraw/zinc/04/08/98/345040898.db2.gz BQAVEIYSGMHPAG-DJLDLDEBSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@H](F)C(C)(C)N)C1 306160038 345050236 /nfs/dbraw/zinc/05/02/36/345050236.db2.gz FFBOUMSBTNRDFI-VGMNWLOBSA-N 1 3 188.290 1.450 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@H](F)C(C)(C)N)C1 306160025 345050300 /nfs/dbraw/zinc/05/03/00/345050300.db2.gz FFBOUMSBTNRDFI-HLTSFMKQSA-N 1 3 188.290 1.450 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H]([C@@H](F)C(C)(C)N)C1 306160029 345050467 /nfs/dbraw/zinc/05/04/67/345050467.db2.gz FFBOUMSBTNRDFI-HRDYMLBCSA-N 1 3 188.290 1.450 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H]([C@@H](F)C(C)(C)N)C1 306160033 345050550 /nfs/dbraw/zinc/05/05/50/345050550.db2.gz FFBOUMSBTNRDFI-IWSPIJDZSA-N 1 3 188.290 1.450 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]CC1CCC1 306160604 345051192 /nfs/dbraw/zinc/05/11/92/345051192.db2.gz QJPPAGCTUPICSU-GXSJLCMTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1CCC1 306160609 345051243 /nfs/dbraw/zinc/05/12/43/345051243.db2.gz QJPPAGCTUPICSU-KOLCDFICSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]CC1CCC1 306160612 345051288 /nfs/dbraw/zinc/05/12/88/345051288.db2.gz QJPPAGCTUPICSU-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO [NH3+][C@@H]1CCCN(c2ccncc2)CC1 306167175 345058340 /nfs/dbraw/zinc/05/83/40/345058340.db2.gz JFGZNURXLOINPM-SNVBAGLBSA-N 1 3 191.278 1.399 10 0 ADAEHO [NH3+][C@H]1CCCN(c2ccncc2)CC1 306167173 345058551 /nfs/dbraw/zinc/05/85/51/345058551.db2.gz JFGZNURXLOINPM-JTQLQIEISA-N 1 3 191.278 1.399 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CCNC[C@@H]1C 306171331 345062717 /nfs/dbraw/zinc/06/27/17/345062717.db2.gz ZRXZOYIWWOXDLT-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CCNC[C@@H]1C 306171331 345062720 /nfs/dbraw/zinc/06/27/20/345062720.db2.gz ZRXZOYIWWOXDLT-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN(C1CC1)[C@H]1CC[NH2+]C[C@@H]1C 306171331 345062722 /nfs/dbraw/zinc/06/27/22/345062722.db2.gz ZRXZOYIWWOXDLT-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CCNC[C@H]1C 306171327 345062792 /nfs/dbraw/zinc/06/27/92/345062792.db2.gz ZRXZOYIWWOXDLT-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN(C1CC1)[C@@H]1CC[NH2+]C[C@H]1C 306171327 345062794 /nfs/dbraw/zinc/06/27/94/345062794.db2.gz ZRXZOYIWWOXDLT-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CCNC[C@H]1C 306171320 345062830 /nfs/dbraw/zinc/06/28/30/345062830.db2.gz ZRXZOYIWWOXDLT-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CCNC[C@H]1C 306171320 345062831 /nfs/dbraw/zinc/06/28/31/345062831.db2.gz ZRXZOYIWWOXDLT-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN(C1CC1)[C@H]1CC[NH2+]C[C@H]1C 306171320 345062833 /nfs/dbraw/zinc/06/28/33/345062833.db2.gz ZRXZOYIWWOXDLT-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1CCNC[C@@H]1C 306171316 345062882 /nfs/dbraw/zinc/06/28/82/345062882.db2.gz ZRXZOYIWWOXDLT-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1CCNC[C@@H]1C 306171316 345062883 /nfs/dbraw/zinc/06/28/83/345062883.db2.gz ZRXZOYIWWOXDLT-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN(C1CC1)[C@@H]1CC[NH2+]C[C@@H]1C 306171316 345062885 /nfs/dbraw/zinc/06/28/85/345062885.db2.gz ZRXZOYIWWOXDLT-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[N@@H+]1CC[C@@]2(CCC[C@H]2N)C1 306173961 345064722 /nfs/dbraw/zinc/06/47/22/345064722.db2.gz LWYLMPZQNSCGKP-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@H+]1CC[C@@]2(CCC[C@H]2N)C1 306173961 345064724 /nfs/dbraw/zinc/06/47/24/345064724.db2.gz LWYLMPZQNSCGKP-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CC[C@@]2(CCC[C@H]2[NH3+])C1 306173961 345064725 /nfs/dbraw/zinc/06/47/25/345064725.db2.gz LWYLMPZQNSCGKP-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@@H+]1CC[C@@]2(CCC[C@@H]2N)C1 306173958 345064888 /nfs/dbraw/zinc/06/48/88/345064888.db2.gz LWYLMPZQNSCGKP-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@H+]1CC[C@@]2(CCC[C@@H]2N)C1 306173958 345064889 /nfs/dbraw/zinc/06/48/89/345064889.db2.gz LWYLMPZQNSCGKP-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CC[C@@]2(CCC[C@@H]2[NH3+])C1 306173958 345064893 /nfs/dbraw/zinc/06/48/93/345064893.db2.gz LWYLMPZQNSCGKP-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@@H+]1CC[C@]2(CCC[C@@H]2N)C1 306173959 345064954 /nfs/dbraw/zinc/06/49/54/345064954.db2.gz LWYLMPZQNSCGKP-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@H+]1CC[C@]2(CCC[C@@H]2N)C1 306173959 345064957 /nfs/dbraw/zinc/06/49/57/345064957.db2.gz LWYLMPZQNSCGKP-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CC[C@]2(CCC[C@@H]2[NH3+])C1 306173959 345064960 /nfs/dbraw/zinc/06/49/60/345064960.db2.gz LWYLMPZQNSCGKP-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@@H+]1CC[C@]2(CCC[C@H]2N)C1 306173956 345065067 /nfs/dbraw/zinc/06/50/67/345065067.db2.gz LWYLMPZQNSCGKP-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[N@H+]1CC[C@]2(CCC[C@H]2N)C1 306173956 345065070 /nfs/dbraw/zinc/06/50/70/345065070.db2.gz LWYLMPZQNSCGKP-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO CCN1CC[C@]2(CCC[C@H]2[NH3+])C1 306173956 345065073 /nfs/dbraw/zinc/06/50/73/345065073.db2.gz LWYLMPZQNSCGKP-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@]1(N2CCC2)CCC[C@H]2C[C@H]21 306176659 345067093 /nfs/dbraw/zinc/06/70/93/345067093.db2.gz WSEQFGUDNSLZDR-HBNTYKKESA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+]C[C@]1(N2CCC2)CCC[C@@H]2C[C@@H]21 306176661 345067155 /nfs/dbraw/zinc/06/71/55/345067155.db2.gz WSEQFGUDNSLZDR-OUAUKWLOSA-N 1 3 180.295 1.210 10 0 ADAEHO C1CCC(N2CC[C@H]3C[NH2+]C[C@H]32)C1 306182392 345073383 /nfs/dbraw/zinc/07/33/83/345073383.db2.gz XGRRLHPMEBOXBX-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CCC([N@@H+]2CC[C@H]3CNC[C@H]32)C1 306182392 345073385 /nfs/dbraw/zinc/07/33/85/345073385.db2.gz XGRRLHPMEBOXBX-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CCC([N@H+]2CC[C@H]3CNC[C@H]32)C1 306182392 345073386 /nfs/dbraw/zinc/07/33/86/345073386.db2.gz XGRRLHPMEBOXBX-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C[NH2+]C1(C)CCN([C@@H]2CC[C@H]2C)CC1 306183882 345075151 /nfs/dbraw/zinc/07/51/51/345075151.db2.gz APUDZVSFNHPKEE-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1(C)CC[NH+]([C@@H]2CC[C@H]2C)CC1 306183882 345075152 /nfs/dbraw/zinc/07/51/52/345075152.db2.gz APUDZVSFNHPKEE-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1(C)CCN([C@@H]2CC[C@@H]2C)CC1 306183898 345075202 /nfs/dbraw/zinc/07/52/02/345075202.db2.gz APUDZVSFNHPKEE-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1(C)CC[NH+]([C@@H]2CC[C@@H]2C)CC1 306183898 345075203 /nfs/dbraw/zinc/07/52/03/345075203.db2.gz APUDZVSFNHPKEE-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1(C)CCN([C@H]2CC[C@H]2C)CC1 306183887 345075213 /nfs/dbraw/zinc/07/52/13/345075213.db2.gz APUDZVSFNHPKEE-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1(C)CC[NH+]([C@H]2CC[C@H]2C)CC1 306183887 345075215 /nfs/dbraw/zinc/07/52/15/345075215.db2.gz APUDZVSFNHPKEE-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+]C1(C)CCN([C@H]2CC[C@@H]2C)CC1 306183892 345075238 /nfs/dbraw/zinc/07/52/38/345075238.db2.gz APUDZVSFNHPKEE-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC1(C)CC[NH+]([C@H]2CC[C@@H]2C)CC1 306183892 345075240 /nfs/dbraw/zinc/07/52/40/345075240.db2.gz APUDZVSFNHPKEE-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C 306191730 345081804 /nfs/dbraw/zinc/08/18/04/345081804.db2.gz IJJYKPAEFQOXNS-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C 306191726 345081853 /nfs/dbraw/zinc/08/18/53/345081853.db2.gz IJJYKPAEFQOXNS-CHWFTXMASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@H]1C 306191728 345081999 /nfs/dbraw/zinc/08/19/99/345081999.db2.gz IJJYKPAEFQOXNS-RCWTZXSCSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CC(C)(C)C1(C)C 306193979 345083544 /nfs/dbraw/zinc/08/35/44/345083544.db2.gz CZAVZKBDQGDWMV-MRVPVSSYSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](N)C[N@H+]1CC(C)(C)C1(C)C 306193979 345083546 /nfs/dbraw/zinc/08/35/46/345083546.db2.gz CZAVZKBDQGDWMV-MRVPVSSYSA-N 1 3 170.300 1.454 10 0 ADAEHO CNCC[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306197486 345086790 /nfs/dbraw/zinc/08/67/90/345086790.db2.gz PUQWKYYXVDXYLX-PHIMTYICSA-N 1 3 180.295 1.104 10 0 ADAEHO CNCC[N@H+]1C[C@H]2CC=CC[C@H]2C1 306197486 345086793 /nfs/dbraw/zinc/08/67/93/345086793.db2.gz PUQWKYYXVDXYLX-PHIMTYICSA-N 1 3 180.295 1.104 10 0 ADAEHO CNCC[NH+]1C[C@@H]2CC=CC[C@H]2C1 306197487 345086832 /nfs/dbraw/zinc/08/68/32/345086832.db2.gz PUQWKYYXVDXYLX-QWRGUYRKSA-N 1 3 180.295 1.104 10 0 ADAEHO CNCC[NH+]1C[C@H]2CC=CC[C@@H]2C1 306197484 345086934 /nfs/dbraw/zinc/08/69/34/345086934.db2.gz PUQWKYYXVDXYLX-GHMZBOCLSA-N 1 3 180.295 1.104 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH+]1CCC1 306198348 345087473 /nfs/dbraw/zinc/08/74/73/345087473.db2.gz WZPPJLZKFXOCAR-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH+]1CCC1 306198349 345087492 /nfs/dbraw/zinc/08/74/92/345087492.db2.gz WZPPJLZKFXOCAR-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO CC1(C)CC[C@H]1[NH+]1CCCNCCC1 306203843 345093107 /nfs/dbraw/zinc/09/31/07/345093107.db2.gz NDFUZZNAAOGKIR-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[C@H]1N1CCC[NH2+]CCC1 306203843 345093112 /nfs/dbraw/zinc/09/31/12/345093112.db2.gz NDFUZZNAAOGKIR-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[C@@H]1[NH+]1CCCNCCC1 306203848 345093227 /nfs/dbraw/zinc/09/32/27/345093227.db2.gz NDFUZZNAAOGKIR-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[C@@H]1N1CCC[NH2+]CCC1 306203848 345093231 /nfs/dbraw/zinc/09/32/31/345093231.db2.gz NDFUZZNAAOGKIR-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[C@]1(C[NH3+])N1CCC1 306206777 345096209 /nfs/dbraw/zinc/09/62/09/345096209.db2.gz VXUCEXLAKCXNHA-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H]1CCC[C@@]1(C[NH3+])N1CCC1 306206776 345096345 /nfs/dbraw/zinc/09/63/45/345096345.db2.gz VXUCEXLAKCXNHA-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1CCC[C@@]1(C[NH3+])N1CCC1 306206778 345096395 /nfs/dbraw/zinc/09/63/95/345096395.db2.gz VXUCEXLAKCXNHA-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1CCC[C@]1(C[NH3+])N1CCC1 306206774 345096535 /nfs/dbraw/zinc/09/65/35/345096535.db2.gz VXUCEXLAKCXNHA-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC1(CN2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 306208260 345097584 /nfs/dbraw/zinc/09/75/84/345097584.db2.gz HGWHGJPIAGENQB-PHIMTYICSA-N 1 3 194.322 1.328 10 0 ADAEHO CC(C)[N@H+](C)C1C[C@H](C)N[C@@H](C)C1 306211447 345101266 /nfs/dbraw/zinc/10/12/66/345101266.db2.gz PROWGECIFDZUSC-UWVGGRQHSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)[N@@H+](C)C1C[C@H](C)N[C@@H](C)C1 306211447 345101268 /nfs/dbraw/zinc/10/12/68/345101268.db2.gz PROWGECIFDZUSC-UWVGGRQHSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)N(C)C1C[C@H](C)[NH2+][C@@H](C)C1 306211447 345101269 /nfs/dbraw/zinc/10/12/69/345101269.db2.gz PROWGECIFDZUSC-UWVGGRQHSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1C[C@H](C)N[C@H](C)C1 306211445 345101369 /nfs/dbraw/zinc/10/13/69/345101369.db2.gz PROWGECIFDZUSC-JGPRNRPPSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1C[C@H](C)N[C@H](C)C1 306211445 345101373 /nfs/dbraw/zinc/10/13/73/345101373.db2.gz PROWGECIFDZUSC-JGPRNRPPSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)N(C)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 306211445 345101376 /nfs/dbraw/zinc/10/13/76/345101376.db2.gz PROWGECIFDZUSC-JGPRNRPPSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)[N@H+](C)C1C[C@@H](C)N[C@H](C)C1 306211446 345101509 /nfs/dbraw/zinc/10/15/09/345101509.db2.gz PROWGECIFDZUSC-NXEZZACHSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)[N@@H+](C)C1C[C@@H](C)N[C@H](C)C1 306211446 345101510 /nfs/dbraw/zinc/10/15/10/345101510.db2.gz PROWGECIFDZUSC-NXEZZACHSA-N 1 3 184.327 1.856 10 0 ADAEHO CC(C)N(C)C1C[C@@H](C)[NH2+][C@H](C)C1 306211446 345101513 /nfs/dbraw/zinc/10/15/13/345101513.db2.gz PROWGECIFDZUSC-NXEZZACHSA-N 1 3 184.327 1.856 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)C1CCC1 306212306 345101808 /nfs/dbraw/zinc/10/18/08/345101808.db2.gz RSZDCHCQTFWGQC-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)C1CCC1 306212306 345101810 /nfs/dbraw/zinc/10/18/10/345101810.db2.gz RSZDCHCQTFWGQC-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+](C)C1CCC1 306212303 345101867 /nfs/dbraw/zinc/10/18/67/345101867.db2.gz RSZDCHCQTFWGQC-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)C1CCC1 306212303 345101869 /nfs/dbraw/zinc/10/18/69/345101869.db2.gz RSZDCHCQTFWGQC-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCCC1 306212098 345101992 /nfs/dbraw/zinc/10/19/92/345101992.db2.gz KDRHFIUJTRITED-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCCC1 306212101 345102132 /nfs/dbraw/zinc/10/21/32/345102132.db2.gz KDRHFIUJTRITED-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)C1CCC1 306212305 345102186 /nfs/dbraw/zinc/10/21/86/345102186.db2.gz RSZDCHCQTFWGQC-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)C1CCC1 306212305 345102190 /nfs/dbraw/zinc/10/21/90/345102190.db2.gz RSZDCHCQTFWGQC-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)C1CCC1 306212304 345102218 /nfs/dbraw/zinc/10/22/18/345102218.db2.gz RSZDCHCQTFWGQC-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)C1CCC1 306212304 345102220 /nfs/dbraw/zinc/10/22/20/345102220.db2.gz RSZDCHCQTFWGQC-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@]1(C)CN1CCCCC1 306212657 345102730 /nfs/dbraw/zinc/10/27/30/345102730.db2.gz VWLBVEDCJYFYIK-RYUDHWBXSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1C[NH2+]C[C@]1(C)CN1CCCCC1 306212654 345102832 /nfs/dbraw/zinc/10/28/32/345102832.db2.gz VWLBVEDCJYFYIK-NWDGAFQWSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@]1(C)CN1CCCCC1 306212652 345102837 /nfs/dbraw/zinc/10/28/37/345102837.db2.gz VWLBVEDCJYFYIK-NEPJUHHUSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@]1(C)CN1CCCCC1 306212659 345102926 /nfs/dbraw/zinc/10/29/26/345102926.db2.gz VWLBVEDCJYFYIK-VXGBXAGGSA-N 1 3 196.338 1.718 10 0 ADAEHO CC1(C)C[N@H+](CCN)C1(C)C 306224221 345117182 /nfs/dbraw/zinc/11/71/82/345117182.db2.gz ZGQODWYWQZHUIL-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)C[N@@H+](CCN)C1(C)C 306224221 345117185 /nfs/dbraw/zinc/11/71/85/345117185.db2.gz ZGQODWYWQZHUIL-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)CN(CCCF)CC[C@@H]1[NH3+] 306224589 345117653 /nfs/dbraw/zinc/11/76/53/345117653.db2.gz DTNUMHBUMFVOAG-VIFPVBQESA-N 1 3 188.290 1.405 10 0 ADAEHO CC1(C)C[N@H+](CCCF)CC[C@@H]1N 306224589 345117654 /nfs/dbraw/zinc/11/76/54/345117654.db2.gz DTNUMHBUMFVOAG-VIFPVBQESA-N 1 3 188.290 1.405 10 0 ADAEHO CC1(C)C[N@@H+](CCCF)CC[C@@H]1N 306224589 345117656 /nfs/dbraw/zinc/11/76/56/345117656.db2.gz DTNUMHBUMFVOAG-VIFPVBQESA-N 1 3 188.290 1.405 10 0 ADAEHO CC1(C)CN(CCCF)CC[C@H]1[NH3+] 306224586 345117660 /nfs/dbraw/zinc/11/76/60/345117660.db2.gz DTNUMHBUMFVOAG-SECBINFHSA-N 1 3 188.290 1.405 10 0 ADAEHO CC1(C)C[N@H+](CCCF)CC[C@H]1N 306224586 345117661 /nfs/dbraw/zinc/11/76/61/345117661.db2.gz DTNUMHBUMFVOAG-SECBINFHSA-N 1 3 188.290 1.405 10 0 ADAEHO CC1(C)C[N@@H+](CCCF)CC[C@H]1N 306224586 345117662 /nfs/dbraw/zinc/11/76/62/345117662.db2.gz DTNUMHBUMFVOAG-SECBINFHSA-N 1 3 188.290 1.405 10 0 ADAEHO FCCCN1CCC[NH2+]CCC1 306226464 345119666 /nfs/dbraw/zinc/11/96/66/345119666.db2.gz GGVQNRHYGPBKKC-UHFFFAOYSA-N 1 3 174.263 1.031 10 0 ADAEHO FCCC[NH+]1CCCNCCC1 306226464 345119667 /nfs/dbraw/zinc/11/96/67/345119667.db2.gz GGVQNRHYGPBKKC-UHFFFAOYSA-N 1 3 174.263 1.031 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]CC1(C)CCC1 306229691 345123021 /nfs/dbraw/zinc/12/30/21/345123021.db2.gz IMYRSMGWZMMQPG-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]CC1(C)CCC1 306229692 345123223 /nfs/dbraw/zinc/12/32/23/345123223.db2.gz IMYRSMGWZMMQPG-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C[N@@H+]2CCC[C@@H](N)CC2)CCC1 306230966 345124096 /nfs/dbraw/zinc/12/40/96/345124096.db2.gz LSWDIODEPFTNMP-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C[N@H+]2CCC[C@@H](N)CC2)CCC1 306230966 345124097 /nfs/dbraw/zinc/12/40/97/345124097.db2.gz LSWDIODEPFTNMP-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C[N@@H+]2CCC[C@H](N)CC2)CCC1 306230977 345124367 /nfs/dbraw/zinc/12/43/67/345124367.db2.gz LSWDIODEPFTNMP-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C[N@H+]2CCC[C@H](N)CC2)CCC1 306230977 345124370 /nfs/dbraw/zinc/12/43/70/345124370.db2.gz LSWDIODEPFTNMP-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CC[C@H]2C)CC1 306233287 345126388 /nfs/dbraw/zinc/12/63/88/345126388.db2.gz INBBOPGRUPRFSK-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CC[C@H]2C)CC1 306233287 345126390 /nfs/dbraw/zinc/12/63/90/345126390.db2.gz INBBOPGRUPRFSK-MWLCHTKSSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CC[C@@H]2C)CC1 306233288 345126412 /nfs/dbraw/zinc/12/64/12/345126412.db2.gz INBBOPGRUPRFSK-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@H]2CC[C@@H]2C)CC1 306233288 345126414 /nfs/dbraw/zinc/12/64/14/345126414.db2.gz INBBOPGRUPRFSK-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+]C1CCN([C@H]2CC[C@H]2C)CC1 306233286 345126486 /nfs/dbraw/zinc/12/64/86/345126486.db2.gz INBBOPGRUPRFSK-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@H]2CC[C@H]2C)CC1 306233286 345126488 /nfs/dbraw/zinc/12/64/88/345126488.db2.gz INBBOPGRUPRFSK-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+]C1CCN([C@@H]2CC[C@@H]2C)CC1 306233285 345126631 /nfs/dbraw/zinc/12/66/31/345126631.db2.gz INBBOPGRUPRFSK-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC1CC[NH+]([C@@H]2CC[C@@H]2C)CC1 306233285 345126633 /nfs/dbraw/zinc/12/66/33/345126633.db2.gz INBBOPGRUPRFSK-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C1CN([C@H](C)[C@@H]2CC[NH2+]C2)C1 306236599 345129319 /nfs/dbraw/zinc/12/93/19/345129319.db2.gz HVUNQUXEPIHJAU-GHMZBOCLSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C1CN([C@@H](C)[C@@H]2CC[NH2+]C2)C1 306236603 345129332 /nfs/dbraw/zinc/12/93/32/345129332.db2.gz HVUNQUXEPIHJAU-WDEREUQCSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C1CN([C@@H](C)[C@H]2CC[NH2+]C2)C1 306236602 345129364 /nfs/dbraw/zinc/12/93/64/345129364.db2.gz HVUNQUXEPIHJAU-QWRGUYRKSA-N 1 3 196.338 1.572 10 0 ADAEHO N[C@]1(C[NH3+])CCCC12CCCCC2 306236607 345129485 /nfs/dbraw/zinc/12/94/85/345129485.db2.gz LGRKVOQBDGXWDF-NSHDSACASA-N 1 3 182.311 1.777 10 0 ADAEHO N[C@@]1(C[NH3+])CCCC12CCCCC2 306236606 345129540 /nfs/dbraw/zinc/12/95/40/345129540.db2.gz LGRKVOQBDGXWDF-LLVKDONJSA-N 1 3 182.311 1.777 10 0 ADAEHO CC[C@@H](N)C[NH+]1CCC2(CCC2)CC1 306243943 345135831 /nfs/dbraw/zinc/13/58/31/345135831.db2.gz UOXIDKQOGFZEEF-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1CCC(C[NH3+])(CN2CCC2)CC1 306243866 345136157 /nfs/dbraw/zinc/13/61/57/345136157.db2.gz MOXOYCCVUQRUGW-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO CC1CCC(CN)(C[NH+]2CCC2)CC1 306243866 345136160 /nfs/dbraw/zinc/13/61/60/345136160.db2.gz MOXOYCCVUQRUGW-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H]1CC[N@H+](CCCF)CCN1 306247174 345138832 /nfs/dbraw/zinc/13/88/32/345138832.db2.gz SEYXOIRMBHUJAD-SECBINFHSA-N 1 3 174.263 1.030 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCCF)CCN1 306247174 345138835 /nfs/dbraw/zinc/13/88/35/345138835.db2.gz SEYXOIRMBHUJAD-SECBINFHSA-N 1 3 174.263 1.030 10 0 ADAEHO CCC1(CC)CN([C@H]2CC[C@@H]([NH3+])C2)C1 306247073 345138911 /nfs/dbraw/zinc/13/89/11/345138911.db2.gz RSGNYGKOCBHRRG-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1(CC)CN([C@@H]2CC[C@H]([NH3+])C2)C1 306247083 345138964 /nfs/dbraw/zinc/13/89/64/345138964.db2.gz RSGNYGKOCBHRRG-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[N@H+](CCCF)CCN1 306247178 345138996 /nfs/dbraw/zinc/13/89/96/345138996.db2.gz SEYXOIRMBHUJAD-VIFPVBQESA-N 1 3 174.263 1.030 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCF)CCN1 306247178 345138998 /nfs/dbraw/zinc/13/89/98/345138998.db2.gz SEYXOIRMBHUJAD-VIFPVBQESA-N 1 3 174.263 1.030 10 0 ADAEHO CCC1(CC)CN([C@H]2CC[C@H]([NH3+])C2)C1 306247079 345139007 /nfs/dbraw/zinc/13/90/07/345139007.db2.gz RSGNYGKOCBHRRG-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]([NH3+])[C@@](C)(F)[C@@H]1CCCCCN1 306251608 345143067 /nfs/dbraw/zinc/14/30/67/345143067.db2.gz ILQXMTAKBNHTPH-LPEHRKFASA-N 1 3 188.290 1.594 10 0 ADAEHO C[C@H]([NH3+])[C@@](C)(F)[C@H]1CCCCCN1 306251606 345143095 /nfs/dbraw/zinc/14/30/95/345143095.db2.gz ILQXMTAKBNHTPH-IVZWLZJFSA-N 1 3 188.290 1.594 10 0 ADAEHO C[C@H]([NH3+])[C@](C)(F)[C@@H]1CCCCCN1 306251605 345143169 /nfs/dbraw/zinc/14/31/69/345143169.db2.gz ILQXMTAKBNHTPH-GUBZILKMSA-N 1 3 188.290 1.594 10 0 ADAEHO C[C@H]([NH3+])[C@](C)(F)[C@H]1CCCCCN1 306251603 345143312 /nfs/dbraw/zinc/14/33/12/345143312.db2.gz ILQXMTAKBNHTPH-AEJSXWLSSA-N 1 3 188.290 1.594 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]C1CCCC1 306251869 345143566 /nfs/dbraw/zinc/14/35/66/345143566.db2.gz RHOJBJMADOVZTF-WCBMZHEXSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1NCC[C@@H]1[NH2+]C1CCCC1 306251868 345143578 /nfs/dbraw/zinc/14/35/78/345143578.db2.gz RHOJBJMADOVZTF-SCZZXKLOSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1NCC[C@@H]1[NH2+]C1CCCC1 306251871 345143634 /nfs/dbraw/zinc/14/36/34/345143634.db2.gz RHOJBJMADOVZTF-WPRPVWTQSA-N 1 3 168.284 1.269 10 0 ADAEHO CC[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 306251791 345143697 /nfs/dbraw/zinc/14/36/97/345143697.db2.gz UMAYOMVSJAPIKS-VHSXEESVSA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 306251791 345143699 /nfs/dbraw/zinc/14/36/99/345143699.db2.gz UMAYOMVSJAPIKS-VHSXEESVSA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 306251792 345143827 /nfs/dbraw/zinc/14/38/27/345143827.db2.gz UMAYOMVSJAPIKS-ZJUUUORDSA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@H+]1C[C@H]2CCC[C@]2(CN)C1 306251792 345143829 /nfs/dbraw/zinc/14/38/29/345143829.db2.gz UMAYOMVSJAPIKS-ZJUUUORDSA-N 1 3 168.284 1.067 10 0 ADAEHO C[C@H]1NCC[C@H]1[NH2+]C1CCCC1 306251866 345143840 /nfs/dbraw/zinc/14/38/40/345143840.db2.gz RHOJBJMADOVZTF-PSASIEDQSA-N 1 3 168.284 1.269 10 0 ADAEHO CC[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 306251789 345143870 /nfs/dbraw/zinc/14/38/70/345143870.db2.gz UMAYOMVSJAPIKS-NXEZZACHSA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 306251789 345143872 /nfs/dbraw/zinc/14/38/72/345143872.db2.gz UMAYOMVSJAPIKS-NXEZZACHSA-N 1 3 168.284 1.067 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@H]([NH3+])[C@H]2C)C[C@H]1C 306255141 345146312 /nfs/dbraw/zinc/14/63/12/345146312.db2.gz OTOYKRQXBNIYCX-XXFSISAASA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1[C@H]1C[C@@H](C)[C@H]1C 306255140 345146532 /nfs/dbraw/zinc/14/65/32/345146532.db2.gz OTOYKRQXBNIYCX-UVOCVTCTSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@H]2C)[C@@H]1C 306255138 345146558 /nfs/dbraw/zinc/14/65/58/345146558.db2.gz OTOYKRQXBNIYCX-APLZJWDSSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@H]([NH3+])[C@@H]2C)C[C@H]1C 306255139 345146595 /nfs/dbraw/zinc/14/65/95/345146595.db2.gz OTOYKRQXBNIYCX-NMUGVGKYSA-N 1 3 182.311 1.452 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H]2CNCC[C@H]2C1 306256796 345147979 /nfs/dbraw/zinc/14/79/79/345147979.db2.gz WZYOLMVZTVGOMH-QWRGUYRKSA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H]2CNCC[C@H]2C1 306256796 345147983 /nfs/dbraw/zinc/14/79/83/345147983.db2.gz WZYOLMVZTVGOMH-QWRGUYRKSA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H]2CCNC[C@@H]2C1 306256794 345148073 /nfs/dbraw/zinc/14/80/73/345148073.db2.gz WZYOLMVZTVGOMH-GHMZBOCLSA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)C[N@H+]1C[C@H]2CCNC[C@@H]2C1 306256794 345148076 /nfs/dbraw/zinc/14/80/76/345148076.db2.gz WZYOLMVZTVGOMH-GHMZBOCLSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1CC[C@@H]1N1CCC([NH3+])CC1 306262940 345153127 /nfs/dbraw/zinc/15/31/27/345153127.db2.gz XYOSERYEHLXONN-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH+]1CCC(N)CC1 306262940 345153130 /nfs/dbraw/zinc/15/31/30/345153130.db2.gz XYOSERYEHLXONN-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@H]1N1CCC([NH3+])CC1 306262938 345153137 /nfs/dbraw/zinc/15/31/37/345153137.db2.gz XYOSERYEHLXONN-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CC[C@H]1[NH+]1CCC(N)CC1 306262938 345153139 /nfs/dbraw/zinc/15/31/39/345153139.db2.gz XYOSERYEHLXONN-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@H]1N1CCC([NH3+])CC1 306262919 345153162 /nfs/dbraw/zinc/15/31/62/345153162.db2.gz XYOSERYEHLXONN-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH+]1CCC(N)CC1 306262919 345153164 /nfs/dbraw/zinc/15/31/64/345153164.db2.gz XYOSERYEHLXONN-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CCC([NH3+])CC1 306262928 345153173 /nfs/dbraw/zinc/15/31/73/345153173.db2.gz XYOSERYEHLXONN-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH+]1CCC(N)CC1 306262928 345153175 /nfs/dbraw/zinc/15/31/75/345153175.db2.gz XYOSERYEHLXONN-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@H]([NH3+])C2)C[C@H]1C 306264571 345154765 /nfs/dbraw/zinc/15/47/65/345154765.db2.gz AMJGHWMFXVVUEQ-KATARQTJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C2)[C@@H]1C 306264574 345154779 /nfs/dbraw/zinc/15/47/79/345154779.db2.gz AMJGHWMFXVVUEQ-KYXWUPHJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])C2)[C@@H]1C 306264568 345154949 /nfs/dbraw/zinc/15/49/49/345154949.db2.gz AMJGHWMFXVVUEQ-IMSYWVGJSA-N 1 3 168.284 1.064 10 0 ADAEHO CC1CN([C@H](C)C[C@H](C)[NH3+])C1 306268767 345157768 /nfs/dbraw/zinc/15/77/68/345157768.db2.gz KGDOVRQWCJHXGN-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1CN([C@@H](C)C[C@@H](C)[NH3+])C1 306268766 345157798 /nfs/dbraw/zinc/15/77/98/345157798.db2.gz KGDOVRQWCJHXGN-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1CN([C@@H](C)C[C@H](C)[NH3+])C1 306268768 345157854 /nfs/dbraw/zinc/15/78/54/345157854.db2.gz KGDOVRQWCJHXGN-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1CN([C@H](C)C[C@@H](C)[NH3+])C1 306268769 345157988 /nfs/dbraw/zinc/15/79/88/345157988.db2.gz KGDOVRQWCJHXGN-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCCCC1 306272620 345160306 /nfs/dbraw/zinc/16/03/06/345160306.db2.gz XUZMHURAEQKSCV-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCCCC1 306272621 345160403 /nfs/dbraw/zinc/16/04/03/345160403.db2.gz XUZMHURAEQKSCV-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H]([NH3+])CN1CCC2(CCCC2)C1 306282296 345167657 /nfs/dbraw/zinc/16/76/57/345167657.db2.gz NAOAOCKUYXVSRG-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@](C)([C@H](C)N)[NH+]1CC(C)(C)C1 306297753 345178370 /nfs/dbraw/zinc/17/83/70/345178370.db2.gz CYHQNMAUBKUBQH-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@](C)([C@@H](C)N)[NH+]1CC(C)(C)C1 306297776 345178382 /nfs/dbraw/zinc/17/83/82/345178382.db2.gz CYHQNMAUBKUBQH-MWLCHTKSSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@](C)([C@@H](C)N)[NH+]1CC(C)(C)C1 306297764 345178696 /nfs/dbraw/zinc/17/86/96/345178696.db2.gz CYHQNMAUBKUBQH-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H]1CN(C(C)C)C[C@H]1[NH3+] 306299782 345180250 /nfs/dbraw/zinc/18/02/50/345180250.db2.gz YKXDJUGJYXKQBD-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H]1CN(C(C)C)C[C@@H]1[NH3+] 306299767 345180432 /nfs/dbraw/zinc/18/04/32/345180432.db2.gz YKXDJUGJYXKQBD-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H]1CN(C(C)C)C[C@H]1[NH3+] 306299772 345180445 /nfs/dbraw/zinc/18/04/45/345180445.db2.gz YKXDJUGJYXKQBD-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H]1CN(C(C)C)C[C@@H]1[NH3+] 306299777 345180493 /nfs/dbraw/zinc/18/04/93/345180493.db2.gz YKXDJUGJYXKQBD-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CN[C@@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 306302412 345182126 /nfs/dbraw/zinc/18/21/26/345182126.db2.gz JFHWBZPCTQODTI-BBBLOLIVSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@]1(C)CN1CCCC1 306304407 345184006 /nfs/dbraw/zinc/18/40/06/345184006.db2.gz FYQSRMBPMXSCIK-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@]1(C)CN1CCCC1 306304406 345184080 /nfs/dbraw/zinc/18/40/80/345184080.db2.gz FYQSRMBPMXSCIK-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@]1(C)CN1CCCC1 306304405 345184111 /nfs/dbraw/zinc/18/41/11/345184111.db2.gz FYQSRMBPMXSCIK-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1C[NH2+]C[C@]1(C)CN1CCCC1 306304408 345184118 /nfs/dbraw/zinc/18/41/18/345184118.db2.gz FYQSRMBPMXSCIK-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H](CN)C1 306305206 345184645 /nfs/dbraw/zinc/18/46/45/345184645.db2.gz JFHTVWASSXPFMH-BBBLOLIVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](CN)C1 306305206 345184646 /nfs/dbraw/zinc/18/46/46/345184646.db2.gz JFHTVWASSXPFMH-BBBLOLIVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 306305211 345184672 /nfs/dbraw/zinc/18/46/72/345184672.db2.gz JFHTVWASSXPFMH-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H](CN)C1 306305211 345184675 /nfs/dbraw/zinc/18/46/75/345184675.db2.gz JFHTVWASSXPFMH-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@@H+]1CC[C@@H](CN)C1 306305208 345184737 /nfs/dbraw/zinc/18/47/37/345184737.db2.gz JFHTVWASSXPFMH-KXUCPTDWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@H+]1CC[C@@H](CN)C1 306305208 345184738 /nfs/dbraw/zinc/18/47/38/345184738.db2.gz JFHTVWASSXPFMH-KXUCPTDWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@@H+]1CC[C@H](CN)C1 306305209 345184949 /nfs/dbraw/zinc/18/49/49/345184949.db2.gz JFHTVWASSXPFMH-OPRDCNLKSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@H+]1CC[C@H](CN)C1 306305209 345184953 /nfs/dbraw/zinc/18/49/53/345184953.db2.gz JFHTVWASSXPFMH-OPRDCNLKSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH+]1CC(C)(C)C1 306317101 345195037 /nfs/dbraw/zinc/19/50/37/345195037.db2.gz DUIXFEUDYAIIRT-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCN1[C@@H]1CC[NH2+]CC1(C)C 306317062 345195051 /nfs/dbraw/zinc/19/50/51/345195051.db2.gz HQQAACSGOUVVLD-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H]1CCNCC1(C)C 306317062 345195054 /nfs/dbraw/zinc/19/50/54/345195054.db2.gz HQQAACSGOUVVLD-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H]1CCNCC1(C)C 306317062 345195058 /nfs/dbraw/zinc/19/50/58/345195058.db2.gz HQQAACSGOUVVLD-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCN1[C@H]1CC[NH2+]CC1(C)C 306317060 345195064 /nfs/dbraw/zinc/19/50/64/345195064.db2.gz HQQAACSGOUVVLD-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@H]1CCNCC1(C)C 306317060 345195066 /nfs/dbraw/zinc/19/50/66/345195066.db2.gz HQQAACSGOUVVLD-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@H]1CCNCC1(C)C 306317060 345195067 /nfs/dbraw/zinc/19/50/67/345195067.db2.gz HQQAACSGOUVVLD-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN1[C@H]1CC[NH2+]CC1(C)C 306317063 345195137 /nfs/dbraw/zinc/19/51/37/345195137.db2.gz HQQAACSGOUVVLD-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCNCC1(C)C 306317063 345195139 /nfs/dbraw/zinc/19/51/39/345195139.db2.gz HQQAACSGOUVVLD-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCNCC1(C)C 306317063 345195142 /nfs/dbraw/zinc/19/51/42/345195142.db2.gz HQQAACSGOUVVLD-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[NH2+]CC1(C)C 306317059 345195185 /nfs/dbraw/zinc/19/51/85/345195185.db2.gz HQQAACSGOUVVLD-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCNCC1(C)C 306317059 345195187 /nfs/dbraw/zinc/19/51/87/345195187.db2.gz HQQAACSGOUVVLD-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCNCC1(C)C 306317059 345195188 /nfs/dbraw/zinc/19/51/88/345195188.db2.gz HQQAACSGOUVVLD-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH+]1CC(C)(C)C1 306317099 345195241 /nfs/dbraw/zinc/19/52/41/345195241.db2.gz DUIXFEUDYAIIRT-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH+]1CC(C)(C)C1 306317096 345195260 /nfs/dbraw/zinc/19/52/60/345195260.db2.gz DUIXFEUDYAIIRT-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH+]1CC(C)(C)C1 306317097 345195286 /nfs/dbraw/zinc/19/52/86/345195286.db2.gz DUIXFEUDYAIIRT-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC1 306317452 345195745 /nfs/dbraw/zinc/19/57/45/345195745.db2.gz YVYDHIDNVZPLCW-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC1 306317454 345195816 /nfs/dbraw/zinc/19/58/16/345195816.db2.gz YVYDHIDNVZPLCW-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC1 306317455 345195828 /nfs/dbraw/zinc/19/58/28/345195828.db2.gz YVYDHIDNVZPLCW-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC1 306317457 345195834 /nfs/dbraw/zinc/19/58/34/345195834.db2.gz YVYDHIDNVZPLCW-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C[N@@H+]2CCC[C@H](CN)C2)CCC1 306343218 345216998 /nfs/dbraw/zinc/21/69/98/345216998.db2.gz KWMQNJWWDBKJKD-LLVKDONJSA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(C[N@H+]2CCC[C@H](CN)C2)CCC1 306343218 345217000 /nfs/dbraw/zinc/21/70/00/345217000.db2.gz KWMQNJWWDBKJKD-LLVKDONJSA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(CN2CCC[C@H](C[NH3+])C2)CCC1 306343218 345217001 /nfs/dbraw/zinc/21/70/01/345217001.db2.gz KWMQNJWWDBKJKD-LLVKDONJSA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(C[N@@H+]2CCC[C@@H](CN)C2)CCC1 306343219 345217033 /nfs/dbraw/zinc/21/70/33/345217033.db2.gz KWMQNJWWDBKJKD-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(C[N@H+]2CCC[C@@H](CN)C2)CCC1 306343219 345217035 /nfs/dbraw/zinc/21/70/35/345217035.db2.gz KWMQNJWWDBKJKD-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CC1(CN2CCC[C@@H](C[NH3+])C2)CCC1 306343219 345217037 /nfs/dbraw/zinc/21/70/37/345217037.db2.gz KWMQNJWWDBKJKD-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO CCN(C)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 306346585 345220726 /nfs/dbraw/zinc/22/07/26/345220726.db2.gz AIFYNKIIXLWJDE-ILWJIGKKSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@H+](C)[C@H]1C[C@H](C)N[C@H](C)C1 306346585 345220728 /nfs/dbraw/zinc/22/07/28/345220728.db2.gz AIFYNKIIXLWJDE-ILWJIGKKSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@@H+](C)[C@H]1C[C@H](C)N[C@H](C)C1 306346585 345220732 /nfs/dbraw/zinc/22/07/32/345220732.db2.gz AIFYNKIIXLWJDE-ILWJIGKKSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@H+](C)C1C[C@H](C)N[C@@H](C)C1 306346586 345220916 /nfs/dbraw/zinc/22/09/16/345220916.db2.gz AIFYNKIIXLWJDE-IUCAKERBSA-N 1 3 170.300 1.467 10 0 ADAEHO CCN(C)C1C[C@@H](C)[NH2+][C@H](C)C1 306346587 345220833 /nfs/dbraw/zinc/22/08/33/345220833.db2.gz AIFYNKIIXLWJDE-RKDXNWHRSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@H+](C)C1C[C@@H](C)N[C@H](C)C1 306346587 345220838 /nfs/dbraw/zinc/22/08/38/345220838.db2.gz AIFYNKIIXLWJDE-RKDXNWHRSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@@H+](C)C1C[C@@H](C)N[C@H](C)C1 306346587 345220840 /nfs/dbraw/zinc/22/08/40/345220840.db2.gz AIFYNKIIXLWJDE-RKDXNWHRSA-N 1 3 170.300 1.467 10 0 ADAEHO CCN(C)C1C[C@H](C)[NH2+][C@@H](C)C1 306346586 345220911 /nfs/dbraw/zinc/22/09/11/345220911.db2.gz AIFYNKIIXLWJDE-IUCAKERBSA-N 1 3 170.300 1.467 10 0 ADAEHO CC[N@@H+](C)C1C[C@H](C)N[C@@H](C)C1 306346586 345220918 /nfs/dbraw/zinc/22/09/18/345220918.db2.gz AIFYNKIIXLWJDE-IUCAKERBSA-N 1 3 170.300 1.467 10 0 ADAEHO CC1(C)CN(CC2CC2)CC[C@H]1[NH3+] 306347244 345221300 /nfs/dbraw/zinc/22/13/00/345221300.db2.gz DJLZZTWNGOBNLZ-SNVBAGLBSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CN(CC2CC2)CC[C@@H]1[NH3+] 306347243 345221577 /nfs/dbraw/zinc/22/15/77/345221577.db2.gz DJLZZTWNGOBNLZ-JTQLQIEISA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@H]1[N@@H+]1CC[C@H](CN)C1 306351051 345223751 /nfs/dbraw/zinc/22/37/51/345223751.db2.gz WVOLTOWOODCWOJ-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@H]1[N@H+]1CC[C@H](CN)C1 306351051 345223753 /nfs/dbraw/zinc/22/37/53/345223753.db2.gz WVOLTOWOODCWOJ-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@@H]1[N@@H+]1CC[C@H](CN)C1 306351054 345223778 /nfs/dbraw/zinc/22/37/78/345223778.db2.gz WVOLTOWOODCWOJ-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@@H]1[N@H+]1CC[C@H](CN)C1 306351054 345223780 /nfs/dbraw/zinc/22/37/80/345223780.db2.gz WVOLTOWOODCWOJ-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO NC1(C[N@@H+]2CC3CCC2CC3)CC1 306350799 345224058 /nfs/dbraw/zinc/22/40/58/345224058.db2.gz WKJPZEGPXFXVLK-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2CC3CCC2CC3)CC1 306350799 345224061 /nfs/dbraw/zinc/22/40/61/345224061.db2.gz WKJPZEGPXFXVLK-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO CC1(C)CC[C@H]1[N@@H+]1CC[C@@H](CN)C1 306351053 345224105 /nfs/dbraw/zinc/22/41/05/345224105.db2.gz WVOLTOWOODCWOJ-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@H]1[N@H+]1CC[C@@H](CN)C1 306351053 345224107 /nfs/dbraw/zinc/22/41/07/345224107.db2.gz WVOLTOWOODCWOJ-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@@H]1[N@@H+]1CC[C@@H](CN)C1 306351052 345224157 /nfs/dbraw/zinc/22/41/57/345224157.db2.gz WVOLTOWOODCWOJ-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC[C@@H]1[N@H+]1CC[C@@H](CN)C1 306351052 345224158 /nfs/dbraw/zinc/22/41/58/345224158.db2.gz WVOLTOWOODCWOJ-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CCC[C@H](CN2CCC2)[C@H]1[NH3+] 306352889 345225364 /nfs/dbraw/zinc/22/53/64/345225364.db2.gz PIWQSAZNLXJSAV-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@H](CN2CCC2)[C@@H]1[NH3+] 306352892 345225381 /nfs/dbraw/zinc/22/53/81/345225381.db2.gz PIWQSAZNLXJSAV-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@@H](CN2CCC2)[C@@H]1[NH3+] 306352895 345225391 /nfs/dbraw/zinc/22/53/91/345225391.db2.gz PIWQSAZNLXJSAV-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CCC[C@@H](CN2CCC2)[C@H]1[NH3+] 306352898 345225598 /nfs/dbraw/zinc/22/55/98/345225598.db2.gz PIWQSAZNLXJSAV-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+]C1(C2=NCCN2)CCCCCC1 306355224 345227051 /nfs/dbraw/zinc/22/70/51/345227051.db2.gz UMVMWBRNHWJYSL-UHFFFAOYSA-N 1 3 181.283 1.040 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@H]([NH3+])[C@H]1C 306358667 345229252 /nfs/dbraw/zinc/22/92/52/345229252.db2.gz BFSURABQBDDEDV-IMSYWVGJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1[C@H]1CC[C@H]1C 306358669 345229384 /nfs/dbraw/zinc/22/93/84/345229384.db2.gz BFSURABQBDDEDV-KATARQTJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@@H]([NH3+])[C@H]1C 306358672 345229477 /nfs/dbraw/zinc/22/94/77/345229477.db2.gz BFSURABQBDDEDV-KYXWUPHJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@H]([NH3+])CCN1[C@H]1CC[C@H]1C 306358674 345229504 /nfs/dbraw/zinc/22/95/04/345229504.db2.gz BFSURABQBDDEDV-RGOKHQFPSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCNCC1 306359048 345229939 /nfs/dbraw/zinc/22/99/39/345229939.db2.gz BVCUELFZJOWEQX-VWYCJHECSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCNCC1 306359047 345230058 /nfs/dbraw/zinc/23/00/58/345230058.db2.gz BVCUELFZJOWEQX-OUAUKWLOSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCNCC1 306359046 345230205 /nfs/dbraw/zinc/23/02/05/345230205.db2.gz BVCUELFZJOWEQX-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCNCC1 306359045 345230214 /nfs/dbraw/zinc/23/02/14/345230214.db2.gz BVCUELFZJOWEQX-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCNC1 306369074 345238312 /nfs/dbraw/zinc/23/83/12/345238312.db2.gz BJSRHOCJBOHIIL-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCNC1 306369073 345238407 /nfs/dbraw/zinc/23/84/07/345238407.db2.gz BJSRHOCJBOHIIL-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@H]1CN1CCC1 306374139 345241322 /nfs/dbraw/zinc/24/13/22/345241322.db2.gz PEUHBMCRNIVXIX-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@@H]1CN1CCC1 306374137 345241487 /nfs/dbraw/zinc/24/14/87/345241487.db2.gz PEUHBMCRNIVXIX-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+][C@H]1CCCC[C@@H]1CN1CCC1 306374140 345241551 /nfs/dbraw/zinc/24/15/51/345241551.db2.gz PEUHBMCRNIVXIX-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+][C@H]1CCCC[C@H]1CN1CCC1 306374138 345241564 /nfs/dbraw/zinc/24/15/64/345241564.db2.gz PEUHBMCRNIVXIX-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)C1CC1 306379350 345245363 /nfs/dbraw/zinc/24/53/63/345245363.db2.gz ULJKTRTYRBHVKI-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]([C@H]1C[C@H]1C)N1CC[C@H]([NH3+])C1 306379342 345245279 /nfs/dbraw/zinc/24/52/79/345245279.db2.gz UJBAQRLXKVVMMC-KATARQTJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)C1CC1 306379351 345245317 /nfs/dbraw/zinc/24/53/17/345245317.db2.gz ULJKTRTYRBHVKI-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)C1CC1 306379351 345245319 /nfs/dbraw/zinc/24/53/19/345245319.db2.gz ULJKTRTYRBHVKI-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N(C)C1CC1 306379351 345245323 /nfs/dbraw/zinc/24/53/23/345245323.db2.gz ULJKTRTYRBHVKI-SCZZXKLOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)C1CC1 306379350 345245365 /nfs/dbraw/zinc/24/53/65/345245365.db2.gz ULJKTRTYRBHVKI-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N(C)C1CC1 306379350 345245368 /nfs/dbraw/zinc/24/53/68/345245368.db2.gz ULJKTRTYRBHVKI-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N1CC[C@@H]([NH3+])C1 306379343 345245442 /nfs/dbraw/zinc/24/54/42/345245442.db2.gz UJBAQRLXKVVMMC-KYXWUPHJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)C1CC1 306379353 345245487 /nfs/dbraw/zinc/24/54/87/345245487.db2.gz ULJKTRTYRBHVKI-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)C1CC1 306379353 345245491 /nfs/dbraw/zinc/24/54/91/345245491.db2.gz ULJKTRTYRBHVKI-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@@H]1N(C)C1CC1 306379353 345245493 /nfs/dbraw/zinc/24/54/93/345245493.db2.gz ULJKTRTYRBHVKI-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+](C)C1CC1 306379352 345245582 /nfs/dbraw/zinc/24/55/82/345245582.db2.gz ULJKTRTYRBHVKI-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)C1CC1 306379352 345245585 /nfs/dbraw/zinc/24/55/85/345245585.db2.gz ULJKTRTYRBHVKI-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@H]1N(C)C1CC1 306379352 345245589 /nfs/dbraw/zinc/24/55/89/345245589.db2.gz ULJKTRTYRBHVKI-WCBMZHEXSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]([C@H]1C[C@H]1C)N1CC[C@@H]([NH3+])C1 306379344 345245661 /nfs/dbraw/zinc/24/56/61/345245661.db2.gz UJBAQRLXKVVMMC-RGOKHQFPSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N1CC[C@H]([NH3+])C1 306379341 345245703 /nfs/dbraw/zinc/24/57/03/345245703.db2.gz UJBAQRLXKVVMMC-IMSYWVGJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1CCCSCC1 306387409 345251372 /nfs/dbraw/zinc/25/13/72/345251372.db2.gz NTEDIMGAWLDZMW-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1CCCSCC1 306387409 345251376 /nfs/dbraw/zinc/25/13/76/345251376.db2.gz NTEDIMGAWLDZMW-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCCSCC1 306387408 345251489 /nfs/dbraw/zinc/25/14/89/345251489.db2.gz NTEDIMGAWLDZMW-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H](N)[C@@H](C)[N@H+]1CCCSCC1 306387408 345251491 /nfs/dbraw/zinc/25/14/91/345251491.db2.gz NTEDIMGAWLDZMW-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](N)[C@@H](C)[N@@H+]1CCCSCC1 306387410 345251499 /nfs/dbraw/zinc/25/14/99/345251499.db2.gz NTEDIMGAWLDZMW-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H](N)[C@@H](C)[N@H+]1CCCSCC1 306387410 345251501 /nfs/dbraw/zinc/25/15/01/345251501.db2.gz NTEDIMGAWLDZMW-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]([C@@H](C)N)[N@@H+]1CCCSCC1 306387407 345251542 /nfs/dbraw/zinc/25/15/42/345251542.db2.gz NTEDIMGAWLDZMW-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]([C@@H](C)N)[N@H+]1CCCSCC1 306387407 345251544 /nfs/dbraw/zinc/25/15/44/345251544.db2.gz NTEDIMGAWLDZMW-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@@H]([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 306396367 345258118 /nfs/dbraw/zinc/25/81/18/345258118.db2.gz HTUYGWIYOLWADN-IMSYWVGJSA-N 1 3 168.284 1.112 10 0 ADAEHO C1CC2(C1)CCN2C[C@H]1CC[NH2+]C1 306398812 345259619 /nfs/dbraw/zinc/25/96/19/345259619.db2.gz MQYOKZQCFPZFTH-JTQLQIEISA-N 1 3 180.295 1.224 10 0 ADAEHO C1CC2(C1)CCN2C[C@@H]1CC[NH2+]C1 306398813 345259646 /nfs/dbraw/zinc/25/96/46/345259646.db2.gz MQYOKZQCFPZFTH-SNVBAGLBSA-N 1 3 180.295 1.224 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1[C@H]1CC[C@H]1C 306405982 345265594 /nfs/dbraw/zinc/26/55/94/345265594.db2.gz BZXIEFMVVDHDHB-YTWAJWBKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1[C@H]1CC[C@H]1C 306405982 345265592 /nfs/dbraw/zinc/26/55/92/345265592.db2.gz BZXIEFMVVDHDHB-YTWAJWBKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1[C@H]1CC[C@H]1C 306405982 345265596 /nfs/dbraw/zinc/26/55/96/345265596.db2.gz BZXIEFMVVDHDHB-YTWAJWBKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H](N)C[C@H]1C 306405984 345265716 /nfs/dbraw/zinc/26/57/16/345265716.db2.gz BZXIEFMVVDHDHB-ZNSHCXBVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](N)C[C@H]1C 306405984 345265718 /nfs/dbraw/zinc/26/57/18/345265718.db2.gz BZXIEFMVVDHDHB-ZNSHCXBVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@H]([NH3+])C[C@H]1C 306405984 345265720 /nfs/dbraw/zinc/26/57/20/345265720.db2.gz BZXIEFMVVDHDHB-ZNSHCXBVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H](N)C[C@H]1C 306405980 345265760 /nfs/dbraw/zinc/26/57/60/345265760.db2.gz BZXIEFMVVDHDHB-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H](N)C[C@H]1C 306405980 345265761 /nfs/dbraw/zinc/26/57/61/345265761.db2.gz BZXIEFMVVDHDHB-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@@H]([NH3+])C[C@H]1C 306405980 345265764 /nfs/dbraw/zinc/26/57/64/345265764.db2.gz BZXIEFMVVDHDHB-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1[C@H]1CC[C@H]1C 306405981 345265861 /nfs/dbraw/zinc/26/58/61/345265861.db2.gz BZXIEFMVVDHDHB-RCWTZXSCSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1[C@H]1CC[C@H]1C 306405981 345265862 /nfs/dbraw/zinc/26/58/62/345265862.db2.gz BZXIEFMVVDHDHB-RCWTZXSCSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1[C@H]1CC[C@H]1C 306405981 345265865 /nfs/dbraw/zinc/26/58/65/345265865.db2.gz BZXIEFMVVDHDHB-RCWTZXSCSA-N 1 3 182.311 1.597 10 0 ADAEHO C/C=C/CN1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306409279 345269066 /nfs/dbraw/zinc/26/90/66/345269066.db2.gz JTZDKCYMVSUOOQ-LZDJJOMISA-N 1 3 180.295 1.232 10 0 ADAEHO C/C=C/CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306409278 345269251 /nfs/dbraw/zinc/26/92/51/345269251.db2.gz JTZDKCYMVSUOOQ-HRVXENIBSA-N 1 3 180.295 1.232 10 0 ADAEHO C/C=C/CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306409277 345269283 /nfs/dbraw/zinc/26/92/83/345269283.db2.gz JTZDKCYMVSUOOQ-GXAZKVDBSA-N 1 3 180.295 1.232 10 0 ADAEHO C/C=C/CN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306409280 345269357 /nfs/dbraw/zinc/26/93/57/345269357.db2.gz JTZDKCYMVSUOOQ-OYSAUNLESA-N 1 3 180.295 1.232 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@@H]([NH+]2CCC2)C1 306413641 345272304 /nfs/dbraw/zinc/27/23/04/345272304.db2.gz SWJMVVFFHVJHSZ-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@@H]([NH+]2CCC2)C1 306413639 345272317 /nfs/dbraw/zinc/27/23/17/345272317.db2.gz SWJMVVFFHVJHSZ-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@H]([NH+]2CCC2)C1 306413640 345272343 /nfs/dbraw/zinc/27/23/43/345272343.db2.gz SWJMVVFFHVJHSZ-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CN(CCC2CC2)CC[C@H]1[NH3+] 306426967 345284032 /nfs/dbraw/zinc/28/40/32/345284032.db2.gz INRIEGSFTQIZHZ-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CN(CCC2CC2)CC[C@@H]1[NH3+] 306426968 345284062 /nfs/dbraw/zinc/28/40/62/345284062.db2.gz INRIEGSFTQIZHZ-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](C1CC1)[NH+]1CCCNCCC1 306427449 345284447 /nfs/dbraw/zinc/28/44/47/345284447.db2.gz JCLAIAOOCMJSII-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C1CC1)[NH+]1CCCNCCC1 306427448 345284650 /nfs/dbraw/zinc/28/46/50/345284650.db2.gz JCLAIAOOCMJSII-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO N[C@H]1CCC[N@H+](CCC2CC2)CC1 306428247 345285171 /nfs/dbraw/zinc/28/51/71/345285171.db2.gz KCHOKHSSDITRRR-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@H]1CCC[N@@H+](CCC2CC2)CC1 306428247 345285173 /nfs/dbraw/zinc/28/51/73/345285173.db2.gz KCHOKHSSDITRRR-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[N@H+](CCC2CC2)CC1 306428246 345285506 /nfs/dbraw/zinc/28/55/06/345285506.db2.gz KCHOKHSSDITRRR-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 306428246 345285508 /nfs/dbraw/zinc/28/55/08/345285508.db2.gz KCHOKHSSDITRRR-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)(N)[C@H](F)[C@H]1CCCCC[NH2+]1 306438689 345298882 /nfs/dbraw/zinc/29/88/82/345298882.db2.gz MUHIOSUVYNIFAB-RKDXNWHRSA-N 1 3 188.290 1.594 10 0 ADAEHO CC(C)(N)[C@H](F)[C@@H]1CCCCC[NH2+]1 306438685 345298909 /nfs/dbraw/zinc/29/89/09/345298909.db2.gz MUHIOSUVYNIFAB-DTWKUNHWSA-N 1 3 188.290 1.594 10 0 ADAEHO CC(C)(N)[C@@H](F)[C@H]1CCCCC[NH2+]1 306438684 345298918 /nfs/dbraw/zinc/29/89/18/345298918.db2.gz MUHIOSUVYNIFAB-BDAKNGLRSA-N 1 3 188.290 1.594 10 0 ADAEHO CC(C)(N)[C@@H](F)[C@@H]1CCCCC[NH2+]1 306438686 345299077 /nfs/dbraw/zinc/29/90/77/345299077.db2.gz MUHIOSUVYNIFAB-IUCAKERBSA-N 1 3 188.290 1.594 10 0 ADAEHO CC1(C)CN(C2CCC2)CC[C@@H]1[NH3+] 306447093 345306855 /nfs/dbraw/zinc/30/68/55/345306855.db2.gz TYOXYTQLXMCPFO-JTQLQIEISA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CN(C2CCC2)CC[C@H]1[NH3+] 306447094 345306896 /nfs/dbraw/zinc/30/68/96/345306896.db2.gz TYOXYTQLXMCPFO-SNVBAGLBSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1CC(N(C)C2CC[NH2+]CC2)C1 306449016 345309232 /nfs/dbraw/zinc/30/92/32/345309232.db2.gz XSTIHYRTNUFUJG-UHFFFAOYSA-N 1 3 182.311 1.469 10 0 ADAEHO Cn1ccnc1N[C@H]1CC[C@H]([NH3+])CC1 306453531 345313586 /nfs/dbraw/zinc/31/35/86/345313586.db2.gz OAQLPUDVVXTDSE-KYZUINATSA-N 1 3 194.282 1.102 10 0 ADAEHO C[C@H]1CCCC[C@@]1(C[NH3+])N1CCC1 306456104 345315271 /nfs/dbraw/zinc/31/52/71/345315271.db2.gz QSJNTMDSYBWLRX-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1CCCC[C@]1(C[NH3+])N1CCC1 306456105 345315409 /nfs/dbraw/zinc/31/54/09/345315409.db2.gz QSJNTMDSYBWLRX-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CCCC[C@]1(C[NH3+])N1CCC1 306456102 345315609 /nfs/dbraw/zinc/31/56/09/345315609.db2.gz QSJNTMDSYBWLRX-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC1 306456103 345315687 /nfs/dbraw/zinc/31/56/87/345315687.db2.gz QSJNTMDSYBWLRX-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1CCC[C@](C[NH3+])(N2CCC2)C1 306456323 345315897 /nfs/dbraw/zinc/31/58/97/345315897.db2.gz SGWUIPKKYWRPKG-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1CCC[C@@](C[NH3+])(N2CCC2)C1 306456324 345316148 /nfs/dbraw/zinc/31/61/48/345316148.db2.gz SGWUIPKKYWRPKG-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CCC[C@](C[NH3+])(N2CCC2)C1 306456322 345316179 /nfs/dbraw/zinc/31/61/79/345316179.db2.gz SGWUIPKKYWRPKG-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CCC[C@@](C[NH3+])(N2CCC2)C1 306456321 345316221 /nfs/dbraw/zinc/31/62/21/345316221.db2.gz SGWUIPKKYWRPKG-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@H](CN)C1 306456986 345316369 /nfs/dbraw/zinc/31/63/69/345316369.db2.gz XYDWYIXNKILASB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@H+]1CCC[C@H](CN)C1 306456986 345316370 /nfs/dbraw/zinc/31/63/70/345316370.db2.gz XYDWYIXNKILASB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@H](CN)C1 306456987 345316544 /nfs/dbraw/zinc/31/65/44/345316544.db2.gz XYDWYIXNKILASB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H](CN)C1 306456987 345316546 /nfs/dbraw/zinc/31/65/46/345316546.db2.gz XYDWYIXNKILASB-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H](CN)C1 306456989 345316583 /nfs/dbraw/zinc/31/65/83/345316583.db2.gz XYDWYIXNKILASB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H](CN)C1 306456989 345316586 /nfs/dbraw/zinc/31/65/86/345316586.db2.gz XYDWYIXNKILASB-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H](CN)C1 306456988 345316671 /nfs/dbraw/zinc/31/66/71/345316671.db2.gz XYDWYIXNKILASB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H](CN)C1 306456988 345316672 /nfs/dbraw/zinc/31/66/72/345316672.db2.gz XYDWYIXNKILASB-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO NC[C@@H]1CCCCC[C@H]1[NH+]1CCC1 306457480 345316867 /nfs/dbraw/zinc/31/68/67/345316867.db2.gz ZWTJCCBBDVPEND-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@H]1CCCCC[C@@H]1[NH+]1CCC1 306457478 345316885 /nfs/dbraw/zinc/31/68/85/345316885.db2.gz ZWTJCCBBDVPEND-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@H]1CCCCC[C@H]1[NH+]1CCC1 306457477 345316990 /nfs/dbraw/zinc/31/69/90/345316990.db2.gz ZWTJCCBBDVPEND-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO NC[C@@H]1CCCCC[C@@H]1[NH+]1CCC1 306457479 345317233 /nfs/dbraw/zinc/31/72/33/345317233.db2.gz ZWTJCCBBDVPEND-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CC1(C)[NH2+]CC[C@@H]1Nc1ccncc1 306463221 345323546 /nfs/dbraw/zinc/32/35/46/345323546.db2.gz LEBSEKYNBRXMGX-JTQLQIEISA-N 1 3 191.278 1.634 10 0 ADAEHO CC1(C)[NH2+]CC[C@H]1Nc1ccncc1 306463230 345323659 /nfs/dbraw/zinc/32/36/59/345323659.db2.gz LEBSEKYNBRXMGX-SNVBAGLBSA-N 1 3 191.278 1.634 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1(C)CCC1 306467253 345328793 /nfs/dbraw/zinc/32/87/93/345328793.db2.gz LZICQSSKCJARLD-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@H+]1CC1(C)CCC1 306467253 345328794 /nfs/dbraw/zinc/32/87/94/345328794.db2.gz LZICQSSKCJARLD-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1(C)CCC1 306467252 345328819 /nfs/dbraw/zinc/32/88/19/345328819.db2.gz LZICQSSKCJARLD-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1(C)CCC1 306467252 345328821 /nfs/dbraw/zinc/32/88/21/345328821.db2.gz LZICQSSKCJARLD-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+][C@H](CNc1ccncc1)C1CCC1 306472094 345335737 /nfs/dbraw/zinc/33/57/37/345335737.db2.gz SPCCJEWKMBFIPH-LLVKDONJSA-N 1 3 191.278 1.621 10 0 ADAEHO [NH3+][C@@H](CNc1ccncc1)C1CCC1 306472096 345335793 /nfs/dbraw/zinc/33/57/93/345335793.db2.gz SPCCJEWKMBFIPH-NSHDSACASA-N 1 3 191.278 1.621 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH+]2CC3=C(CNC3)C2)C1 306478812 345345410 /nfs/dbraw/zinc/34/54/10/345345410.db2.gz ZYEFDGYDYUWLQU-BXKDBHETSA-N 1 3 192.306 1.390 10 0 ADAEHO C[C@H]1CC[C@H]([NH+]2CC3=C(CNC3)C2)C1 306478813 345345426 /nfs/dbraw/zinc/34/54/26/345345426.db2.gz ZYEFDGYDYUWLQU-CABZTGNLSA-N 1 3 192.306 1.390 10 0 ADAEHO C[C@H]1CC[C@@H]([NH+]2CC3=C(CNC3)C2)C1 306478814 345345763 /nfs/dbraw/zinc/34/57/63/345345763.db2.gz ZYEFDGYDYUWLQU-JOYOIKCWSA-N 1 3 192.306 1.390 10 0 ADAEHO C[C@@H]1CC[C@H]([NH+]2CC3=C(CNC3)C2)C1 306478815 345345768 /nfs/dbraw/zinc/34/57/68/345345768.db2.gz ZYEFDGYDYUWLQU-SKDRFNHKSA-N 1 3 192.306 1.390 10 0 ADAEHO C[C@H]([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 306482005 345350519 /nfs/dbraw/zinc/35/05/19/345350519.db2.gz HTUYGWIYOLWADN-AXTSPUMRSA-N 1 3 168.284 1.112 10 0 ADAEHO C1C[C@H]2CC[N@@H+](CC3CNC3)[C@H]2C1 306484257 345352653 /nfs/dbraw/zinc/35/26/53/345352653.db2.gz NERVFISEYJXSJW-QWRGUYRKSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2CC[N@H+](CC3CNC3)[C@H]2C1 306484257 345352655 /nfs/dbraw/zinc/35/26/55/345352655.db2.gz NERVFISEYJXSJW-QWRGUYRKSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2CC[N@@H+](CC3CNC3)[C@@H]2C1 306484251 345352700 /nfs/dbraw/zinc/35/27/00/345352700.db2.gz NERVFISEYJXSJW-GHMZBOCLSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2CC[N@H+](CC3CNC3)[C@@H]2C1 306484251 345352701 /nfs/dbraw/zinc/35/27/01/345352701.db2.gz NERVFISEYJXSJW-GHMZBOCLSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2[C@H](C1)CC[N@H+]2CC1CNC1 306484254 345352992 /nfs/dbraw/zinc/35/29/92/345352992.db2.gz NERVFISEYJXSJW-MNOVXSKESA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2[C@H](C1)CC[N@@H+]2CC1CNC1 306484254 345352997 /nfs/dbraw/zinc/35/29/97/345352997.db2.gz NERVFISEYJXSJW-MNOVXSKESA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2CC[N@@H+](CC3CNC3)[C@@H]2C1 306484259 345353036 /nfs/dbraw/zinc/35/30/36/345353036.db2.gz NERVFISEYJXSJW-WDEREUQCSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2CC[N@H+](CC3CNC3)[C@@H]2C1 306484259 345353039 /nfs/dbraw/zinc/35/30/39/345353039.db2.gz NERVFISEYJXSJW-WDEREUQCSA-N 1 3 180.295 1.080 10 0 ADAEHO N[C@@]1(C[NH3+])CCCCC12CCCC2 306489288 345360597 /nfs/dbraw/zinc/36/05/97/345360597.db2.gz WMOIGJRJJLAMSV-LLVKDONJSA-N 1 3 182.311 1.777 10 0 ADAEHO N[C@]1(C[NH3+])CCCCC12CCCC2 306489289 345360656 /nfs/dbraw/zinc/36/06/56/345360656.db2.gz WMOIGJRJJLAMSV-NSHDSACASA-N 1 3 182.311 1.777 10 0 ADAEHO NCCC[NH+]1CCCCCCCC1 306493724 345367054 /nfs/dbraw/zinc/36/70/54/345367054.db2.gz ZNPSHJDJKYABPH-UHFFFAOYSA-N 1 3 184.327 1.991 10 0 ADAEHO C[C@H]1NCCC[C@@H]1C[NH+]1CCCC1 306494730 345367605 /nfs/dbraw/zinc/36/76/05/345367605.db2.gz UHHFBRGEZGHLCY-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1NCCC[C@@H]1C[NH+]1CCCC1 306494733 345367773 /nfs/dbraw/zinc/36/77/73/345367773.db2.gz UHHFBRGEZGHLCY-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1NCCC[C@H]1C[NH+]1CCCC1 306494732 345367839 /nfs/dbraw/zinc/36/78/39/345367839.db2.gz UHHFBRGEZGHLCY-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1NCCC[C@H]1C[NH+]1CCCC1 306494731 345367920 /nfs/dbraw/zinc/36/79/20/345367920.db2.gz UHHFBRGEZGHLCY-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CN1CC2CCC1CC2 306497008 345371069 /nfs/dbraw/zinc/37/10/69/345371069.db2.gz ZFNSIGSUZRWVPH-JYBOHDQNSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H](CN1CC2CCC1CC2)[C@@H](C)[NH3+] 306497006 345371149 /nfs/dbraw/zinc/37/11/49/345371149.db2.gz ZFNSIGSUZRWVPH-DMOGRIERSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]([NH3+])[C@H](C)CN1CC2CCC1CC2 306497010 345371199 /nfs/dbraw/zinc/37/11/99/345371199.db2.gz ZFNSIGSUZRWVPH-QYNFOATHSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN1CC2CCC1CC2 306497009 345371277 /nfs/dbraw/zinc/37/12/77/345371277.db2.gz ZFNSIGSUZRWVPH-QKEWWQLBSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)C1 306498237 345372313 /nfs/dbraw/zinc/37/23/13/345372313.db2.gz TTZCUSRRBVQGMT-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C1 306498238 345372359 /nfs/dbraw/zinc/37/23/59/345372359.db2.gz TTZCUSRRBVQGMT-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 306500805 345374502 /nfs/dbraw/zinc/37/45/02/345374502.db2.gz YWLVVCJOZOFFJK-RGOKHQFPSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 306500804 345374537 /nfs/dbraw/zinc/37/45/37/345374537.db2.gz YWLVVCJOZOFFJK-KYXWUPHJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](N)C1 306500802 345374651 /nfs/dbraw/zinc/37/46/51/345374651.db2.gz YWLVVCJOZOFFJK-IMSYWVGJSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 306500803 345374814 /nfs/dbraw/zinc/37/48/14/345374814.db2.gz YWLVVCJOZOFFJK-KATARQTJSA-N 1 3 168.284 1.254 10 0 ADAEHO CC[C@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C1 306513899 345384772 /nfs/dbraw/zinc/38/47/72/345384772.db2.gz TTZCUSRRBVQGMT-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)C1 306513900 345385030 /nfs/dbraw/zinc/38/50/30/345385030.db2.gz TTZCUSRRBVQGMT-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)[C@@H]([NH+]1CC=CC1)C(C)(C)C 306514501 345385395 /nfs/dbraw/zinc/38/53/95/345385395.db2.gz AFHNFPUWBWLWGU-NXEZZACHSA-N 1 3 182.311 1.620 10 0 ADAEHO C[C@H](N)[C@@H]([NH+]1CC=CC1)C(C)(C)C 306514503 345385414 /nfs/dbraw/zinc/38/54/14/345385414.db2.gz AFHNFPUWBWLWGU-VHSXEESVSA-N 1 3 182.311 1.620 10 0 ADAEHO C[C@@H](N)[C@H]([NH+]1CC=CC1)C(C)(C)C 306514504 345385461 /nfs/dbraw/zinc/38/54/61/345385461.db2.gz AFHNFPUWBWLWGU-ZJUUUORDSA-N 1 3 182.311 1.620 10 0 ADAEHO C[C@H](N)[C@H]([NH+]1CC=CC1)C(C)(C)C 306514502 345385606 /nfs/dbraw/zinc/38/56/06/345385606.db2.gz AFHNFPUWBWLWGU-UWVGGRQHSA-N 1 3 182.311 1.620 10 0 ADAEHO C1CCC2(CC1)C[C@H]2[NH2+]C[C@@H]1CCN1 306515661 345386303 /nfs/dbraw/zinc/38/63/03/345386303.db2.gz FBJKBHPWARYROM-WDEREUQCSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC2(CC1)C[C@H]2[NH2+]C[C@H]1CCN1 306515658 345386599 /nfs/dbraw/zinc/38/65/99/345386599.db2.gz FBJKBHPWARYROM-GHMZBOCLSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC2(CC1)C[C@@H]2[NH2+]C[C@@H]1CCN1 306515660 345386700 /nfs/dbraw/zinc/38/67/00/345386700.db2.gz FBJKBHPWARYROM-QWRGUYRKSA-N 1 3 194.322 1.661 10 0 ADAEHO C[C@H]([C@H]1CCC[N@H+](C)C1)N1CCC1 306516213 345387456 /nfs/dbraw/zinc/38/74/56/345387456.db2.gz XNABHZSQBSHRFZ-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]([C@H]1CCC[N@@H+](C)C1)N1CCC1 306516213 345387458 /nfs/dbraw/zinc/38/74/58/345387458.db2.gz XNABHZSQBSHRFZ-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]([C@@H]1CCC[N@H+](C)C1)N1CCC1 306516212 345387476 /nfs/dbraw/zinc/38/74/76/345387476.db2.gz XNABHZSQBSHRFZ-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]([C@@H]1CCC[N@@H+](C)C1)N1CCC1 306516212 345387479 /nfs/dbraw/zinc/38/74/79/345387479.db2.gz XNABHZSQBSHRFZ-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]([C@H]1CCC[N@H+](C)C1)N1CCC1 306516215 345387495 /nfs/dbraw/zinc/38/74/95/345387495.db2.gz XNABHZSQBSHRFZ-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]([C@H]1CCC[N@@H+](C)C1)N1CCC1 306516215 345387497 /nfs/dbraw/zinc/38/74/97/345387497.db2.gz XNABHZSQBSHRFZ-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]([C@@H]1CCC[N@H+](C)C1)N1CCC1 306516217 345387608 /nfs/dbraw/zinc/38/76/08/345387608.db2.gz XNABHZSQBSHRFZ-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]([C@@H]1CCC[N@@H+](C)C1)N1CCC1 306516217 345387610 /nfs/dbraw/zinc/38/76/10/345387610.db2.gz XNABHZSQBSHRFZ-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO CC1CC([NH2+][C@@H]2CCNC[C@@H]2C)C1 306517168 345387879 /nfs/dbraw/zinc/38/78/79/345387879.db2.gz HOFGPSJPRBOCLK-QONHTCSSSA-N 1 3 182.311 1.373 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])[C@@H]1C 306516915 345388028 /nfs/dbraw/zinc/38/80/28/345388028.db2.gz ZOQMXUTVNJAYEF-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CC([NH2+][C@H]2CCNC[C@@H]2C)C1 306517172 345388034 /nfs/dbraw/zinc/38/80/34/345388034.db2.gz HOFGPSJPRBOCLK-YIYTYNFBSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CC([NH2+][C@H]2CCNC[C@H]2C)C1 306517167 345388119 /nfs/dbraw/zinc/38/81/19/345388119.db2.gz HOFGPSJPRBOCLK-DJRKXVOMSA-N 1 3 182.311 1.373 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])[C@H]1C 306516913 345388132 /nfs/dbraw/zinc/38/81/32/345388132.db2.gz ZOQMXUTVNJAYEF-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CC([NH2+][C@@H]2CCNC[C@H]2C)C1 306517170 345388172 /nfs/dbraw/zinc/38/81/72/345388172.db2.gz HOFGPSJPRBOCLK-VGRIYTJTSA-N 1 3 182.311 1.373 10 0 ADAEHO CCCCN1CC[C@@H]([NH3+])[C@H]1C 306516965 345388193 /nfs/dbraw/zinc/38/81/93/345388193.db2.gz ZOQMXUTVNJAYEF-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCCN1CC[C@@H]([NH3+])[C@@H]1C 306516914 345388240 /nfs/dbraw/zinc/38/82/40/345388240.db2.gz ZOQMXUTVNJAYEF-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO [NH3+]C1CC(N[C@H]2CCC(F)(F)C2)C1 306517912 345389265 /nfs/dbraw/zinc/38/92/65/345389265.db2.gz CONVVZNNZYBXKJ-WTIBDHCWSA-N 1 3 190.237 1.254 10 0 ADAEHO [NH3+]C1CC(N[C@@H]2CCC(F)(F)C2)C1 306517913 345389319 /nfs/dbraw/zinc/38/93/19/345389319.db2.gz CONVVZNNZYBXKJ-ZUEIMRROSA-N 1 3 190.237 1.254 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@@H](N)C1 306520839 345391784 /nfs/dbraw/zinc/39/17/84/345391784.db2.gz LKDCUEQUKNZOGX-DDHJBXDOSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@@H](N)C1 306520839 345391786 /nfs/dbraw/zinc/39/17/86/345391786.db2.gz LKDCUEQUKNZOGX-DDHJBXDOSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@@H+]1[C@H]1CC[C@H](N)C1 306520840 345391913 /nfs/dbraw/zinc/39/19/13/345391913.db2.gz LKDCUEQUKNZOGX-NOOOWODRSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@H+]1[C@H]1CC[C@H](N)C1 306520840 345391916 /nfs/dbraw/zinc/39/19/16/345391916.db2.gz LKDCUEQUKNZOGX-NOOOWODRSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@@H+]1[C@H]1CC[C@@H](N)C1 306520841 345391961 /nfs/dbraw/zinc/39/19/61/345391961.db2.gz LKDCUEQUKNZOGX-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@H+]1[C@H]1CC[C@@H](N)C1 306520841 345391962 /nfs/dbraw/zinc/39/19/62/345391962.db2.gz LKDCUEQUKNZOGX-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@H](N)C1 306520843 345392012 /nfs/dbraw/zinc/39/20/12/345392012.db2.gz LKDCUEQUKNZOGX-WRWGMCAJSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@H](N)C1 306520843 345392014 /nfs/dbraw/zinc/39/20/14/345392014.db2.gz LKDCUEQUKNZOGX-WRWGMCAJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1CC1CCC1 306530581 345401916 /nfs/dbraw/zinc/40/19/16/345401916.db2.gz JPLVLNWLMQHHFR-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1CC1CCC1 306530580 345401932 /nfs/dbraw/zinc/40/19/32/345401932.db2.gz JPLVLNWLMQHHFR-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1CC1CCC1 306530583 345401994 /nfs/dbraw/zinc/40/19/94/345401994.db2.gz JPLVLNWLMQHHFR-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@H]([NH3+])CCN1CC1CCC1 306530582 345402082 /nfs/dbraw/zinc/40/20/82/345402082.db2.gz JPLVLNWLMQHHFR-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@H]2C)C[C@@H]1[NH3+] 306533644 345405547 /nfs/dbraw/zinc/40/55/47/345405547.db2.gz NPVNEDJKISPIBI-DOLQZWNJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1CC[C@H]1N1C[C@@H](C)[C@@H]([NH3+])C1 306533645 345405668 /nfs/dbraw/zinc/40/56/68/345405668.db2.gz NPVNEDJKISPIBI-QCLAVDOMSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1CC[C@H]1N1C[C@@H]([NH3+])[C@H](C)C1 306533646 345405886 /nfs/dbraw/zinc/40/58/86/345405886.db2.gz NPVNEDJKISPIBI-SGIHWFKDSA-N 1 3 168.284 1.064 10 0 ADAEHO CC1(C)CC[C@H]1NC[C@H]1CC[NH2+]C1 306533667 345406406 /nfs/dbraw/zinc/40/64/06/345406406.db2.gz NSEBRDRZBWKUPD-VHSXEESVSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)CC[C@@H]1NC[C@H]1CC[NH2+]C1 306533666 345406515 /nfs/dbraw/zinc/40/65/15/345406515.db2.gz NSEBRDRZBWKUPD-UWVGGRQHSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)CC[C@@H]1NC[C@@H]1CC[NH2+]C1 306533668 345406612 /nfs/dbraw/zinc/40/66/12/345406612.db2.gz NSEBRDRZBWKUPD-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)CC[C@H]1NC[C@@H]1CC[NH2+]C1 306533665 345406629 /nfs/dbraw/zinc/40/66/29/345406629.db2.gz NSEBRDRZBWKUPD-NXEZZACHSA-N 1 3 182.311 1.374 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CNC1 306536935 345410178 /nfs/dbraw/zinc/41/01/78/345410178.db2.gz IEGKCZVEAFOFDD-PHIMTYICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CNC1 306536935 345410181 /nfs/dbraw/zinc/41/01/81/345410181.db2.gz IEGKCZVEAFOFDD-PHIMTYICSA-N 1 3 180.295 1.223 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N2CC3(CCC3)C2)C1 306537347 345410515 /nfs/dbraw/zinc/41/05/15/345410515.db2.gz IHHQRCVXORJNAT-MNOVXSKESA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N2CC3(CCC3)C2)C1 306537346 345410611 /nfs/dbraw/zinc/41/06/11/345410611.db2.gz IHHQRCVXORJNAT-GHMZBOCLSA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H](N2CC3(CCC3)C2)C1 306537349 345410676 /nfs/dbraw/zinc/41/06/76/345410676.db2.gz IHHQRCVXORJNAT-WDEREUQCSA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+][C@H]1CCC[C@H](N2CC3(CCC3)C2)C1 306537348 345410709 /nfs/dbraw/zinc/41/07/09/345410709.db2.gz IHHQRCVXORJNAT-QWRGUYRKSA-N 1 3 194.322 1.742 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H]1C 306538329 345412052 /nfs/dbraw/zinc/41/20/52/345412052.db2.gz JRXXTEIASOUSQC-BBBLOLIVSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H]1C 306538329 345412056 /nfs/dbraw/zinc/41/20/56/345412056.db2.gz JRXXTEIASOUSQC-BBBLOLIVSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H]1C 306538331 345412078 /nfs/dbraw/zinc/41/20/78/345412078.db2.gz JRXXTEIASOUSQC-OPRDCNLKSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@@H](C)[C@H]1C 306538331 345412081 /nfs/dbraw/zinc/41/20/81/345412081.db2.gz JRXXTEIASOUSQC-OPRDCNLKSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H]1C 306538328 345412156 /nfs/dbraw/zinc/41/21/56/345412156.db2.gz JRXXTEIASOUSQC-AEJSXWLSSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@H](C)[C@@H]1C 306538328 345412159 /nfs/dbraw/zinc/41/21/59/345412159.db2.gz JRXXTEIASOUSQC-AEJSXWLSSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@H](C)[C@H]1C 306538330 345412350 /nfs/dbraw/zinc/41/23/50/345412350.db2.gz JRXXTEIASOUSQC-IVZWLZJFSA-N 1 3 170.300 1.325 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@H](C)[C@H]1C 306538330 345412354 /nfs/dbraw/zinc/41/23/54/345412354.db2.gz JRXXTEIASOUSQC-IVZWLZJFSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N1CC[C@H]1C 306539422 345413153 /nfs/dbraw/zinc/41/31/53/345413153.db2.gz NHNDIKGPLNQSAK-DJLDLDEBSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N1CC[C@H]1C 306539424 345413232 /nfs/dbraw/zinc/41/32/32/345413232.db2.gz NHNDIKGPLNQSAK-YIZRAAEISA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N1CC[C@@H]1C 306539421 345413451 /nfs/dbraw/zinc/41/34/51/345413451.db2.gz NHNDIKGPLNQSAK-CIUDSAMLSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N1CC[C@@H]1C 306539423 345413471 /nfs/dbraw/zinc/41/34/71/345413471.db2.gz NHNDIKGPLNQSAK-XHNCKOQMSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1CCC1CCCC1 306546172 345420274 /nfs/dbraw/zinc/42/02/74/345420274.db2.gz BISDDSHZWVVOMZ-JQWIXIFHSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1[C@H]([NH3+])CCN1CCC1CCCC1 306546165 345420326 /nfs/dbraw/zinc/42/03/26/345420326.db2.gz BISDDSHZWVVOMZ-CMPLNLGQSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1CCC1CCCC1 306546177 345420436 /nfs/dbraw/zinc/42/04/36/345420436.db2.gz BISDDSHZWVVOMZ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)[C@H]2CN(C(C)(C)C[NH3+])C[C@H]21 306548700 345423497 /nfs/dbraw/zinc/42/34/97/345423497.db2.gz DBBZZNHUQJXOLS-DTORHVGOSA-N 1 3 182.311 1.312 10 0 ADAEHO CS[C@@H]1CCC[N@H+](C[C@H](C)N)C1 306549912 345424649 /nfs/dbraw/zinc/42/46/49/345424649.db2.gz FADCXCHGPMYKGP-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@@H]1CCC[N@@H+](C[C@H](C)N)C1 306549912 345424650 /nfs/dbraw/zinc/42/46/50/345424650.db2.gz FADCXCHGPMYKGP-DTWKUNHWSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@H]1CCC[N@H+](C[C@@H](C)N)C1 306549911 345424730 /nfs/dbraw/zinc/42/47/30/345424730.db2.gz FADCXCHGPMYKGP-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@H]1CCC[N@@H+](C[C@@H](C)N)C1 306549911 345424733 /nfs/dbraw/zinc/42/47/33/345424733.db2.gz FADCXCHGPMYKGP-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@@H]1CCC[N@H+](C[C@@H](C)N)C1 306549914 345425409 /nfs/dbraw/zinc/42/54/09/345425409.db2.gz FADCXCHGPMYKGP-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@@H]1CCC[N@@H+](C[C@@H](C)N)C1 306549914 345425410 /nfs/dbraw/zinc/42/54/10/345425410.db2.gz FADCXCHGPMYKGP-RKDXNWHRSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@H]1CCC[N@H+](C[C@H](C)N)C1 306549913 345425474 /nfs/dbraw/zinc/42/54/74/345425474.db2.gz FADCXCHGPMYKGP-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CS[C@H]1CCC[N@@H+](C[C@H](C)N)C1 306549913 345425476 /nfs/dbraw/zinc/42/54/76/345425476.db2.gz FADCXCHGPMYKGP-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CNC1(C[N@@H+]2CC[C@H](C)C2)CCCC1 306554817 345430802 /nfs/dbraw/zinc/43/08/02/345430802.db2.gz LQUJQLQFDCTBLZ-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CNC1(C[N@H+]2CC[C@H](C)C2)CCCC1 306554817 345430805 /nfs/dbraw/zinc/43/08/05/345430805.db2.gz LQUJQLQFDCTBLZ-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CNC1(C[N@@H+]2CC[C@@H](C)C2)CCCC1 306554816 345430827 /nfs/dbraw/zinc/43/08/27/345430827.db2.gz LQUJQLQFDCTBLZ-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC1(C[N@H+]2CC[C@@H](C)C2)CCCC1 306554816 345430830 /nfs/dbraw/zinc/43/08/30/345430830.db2.gz LQUJQLQFDCTBLZ-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CNC[C@@H]1[NH2+]C1CCCCCC1 306555690 345431022 /nfs/dbraw/zinc/43/10/22/345431022.db2.gz CQLGSULJLSOAKL-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CNC[C@H]1[NH2+]C1CCCCCC1 306555668 345431186 /nfs/dbraw/zinc/43/11/86/345431186.db2.gz CQLGSULJLSOAKL-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CNC[C@@H]1[NH2+]C1CCCCCC1 306555678 345431206 /nfs/dbraw/zinc/43/12/06/345431206.db2.gz CQLGSULJLSOAKL-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]C1CCCCCC1 306555699 345431257 /nfs/dbraw/zinc/43/12/57/345431257.db2.gz CQLGSULJLSOAKL-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[C@H]2C)C1 306558156 345434078 /nfs/dbraw/zinc/43/40/78/345434078.db2.gz KABJYDXPAHJPNV-RMPHRYRLSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[C@H]2C)C1 306558156 345434080 /nfs/dbraw/zinc/43/40/80/345434080.db2.gz KABJYDXPAHJPNV-RMPHRYRLSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]([C@H](C)N)C2)[C@H]1C 306558155 345434113 /nfs/dbraw/zinc/43/41/13/345434113.db2.gz KABJYDXPAHJPNV-KKJSVHSVSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+]2CC[C@@H]([C@H](C)N)C2)[C@H]1C 306558155 345434114 /nfs/dbraw/zinc/43/41/14/345434114.db2.gz KABJYDXPAHJPNV-KKJSVHSVSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+]([C@@H]2C[C@H](C)[C@H]2C)C1 306558157 345434173 /nfs/dbraw/zinc/43/41/73/345434173.db2.gz KABJYDXPAHJPNV-RNWYCLNJSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+]([C@@H]2C[C@H](C)[C@H]2C)C1 306558157 345434174 /nfs/dbraw/zinc/43/41/74/345434174.db2.gz KABJYDXPAHJPNV-RNWYCLNJSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[C@@H]2C)C1 306558158 345434220 /nfs/dbraw/zinc/43/42/20/345434220.db2.gz KABJYDXPAHJPNV-YBXAARCKSA-N 1 3 196.338 1.700 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[C@@H]2C)C1 306558158 345434222 /nfs/dbraw/zinc/43/42/22/345434222.db2.gz KABJYDXPAHJPNV-YBXAARCKSA-N 1 3 196.338 1.700 10 0 ADAEHO CC(C)(C)CN1CCC(C)([NH3+])CC1 306559322 345435126 /nfs/dbraw/zinc/43/51/26/345435126.db2.gz QBBKVJYEWCZGCE-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)C[NH+]1CCC(C)(N)CC1 306559322 345435131 /nfs/dbraw/zinc/43/51/31/345435131.db2.gz QBBKVJYEWCZGCE-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO Cc1cc(NCC2CN(C)C2)cc[nH+]1 306560703 345436699 /nfs/dbraw/zinc/43/66/99/345436699.db2.gz MQGASKZECATORT-UHFFFAOYSA-N 1 3 191.278 1.364 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H]1C 306561310 345437071 /nfs/dbraw/zinc/43/70/71/345437071.db2.gz SRNRCEAHDQFEEN-WOPDTQHZSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H]1C 306561310 345437073 /nfs/dbraw/zinc/43/70/73/345437073.db2.gz SRNRCEAHDQFEEN-WOPDTQHZSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H]1C 306561308 345437154 /nfs/dbraw/zinc/43/71/54/345437154.db2.gz SRNRCEAHDQFEEN-SDDRHHMPSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H]1C 306561308 345437157 /nfs/dbraw/zinc/43/71/57/345437157.db2.gz SRNRCEAHDQFEEN-SDDRHHMPSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H]1C 306561307 345437199 /nfs/dbraw/zinc/43/71/99/345437199.db2.gz SRNRCEAHDQFEEN-GRYCIOLGSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H]1C 306561307 345437202 /nfs/dbraw/zinc/43/72/02/345437202.db2.gz SRNRCEAHDQFEEN-GRYCIOLGSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H]1C 306561309 345437291 /nfs/dbraw/zinc/43/72/91/345437291.db2.gz SRNRCEAHDQFEEN-SRVKXCTJSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H]1C 306561309 345437295 /nfs/dbraw/zinc/43/72/95/345437295.db2.gz SRNRCEAHDQFEEN-SRVKXCTJSA-N 1 3 196.338 1.857 10 0 ADAEHO [NH3+]CC1(N2CCC3(CCC3)C2)CCC1 306561028 345437327 /nfs/dbraw/zinc/43/73/27/345437327.db2.gz SLOLCEIKBAJDDZ-UHFFFAOYSA-N 1 3 194.322 1.744 10 0 ADAEHO C[C@@H]([NH3+])[C@@H]1CCN(CC2=CCCC2)C1 306561506 345437654 /nfs/dbraw/zinc/43/76/54/345437654.db2.gz BXGDONSLHICOAG-ZYHUDNBSSA-N 1 3 194.322 1.766 10 0 ADAEHO Cn1ccnc1N[C@H]1CCC[C@@H]([NH3+])C1 306562099 345437659 /nfs/dbraw/zinc/43/76/59/345437659.db2.gz UFRFNTDYFYOBBQ-BDAKNGLRSA-N 1 3 194.282 1.102 10 0 ADAEHO Cn1ccnc1N[C@@H]1CCC[C@@H]([NH3+])C1 306562102 345437685 /nfs/dbraw/zinc/43/76/85/345437685.db2.gz UFRFNTDYFYOBBQ-RKDXNWHRSA-N 1 3 194.282 1.102 10 0 ADAEHO C[C@@H]([NH3+])[C@H]1CCN(CC2=CCCC2)C1 306561505 345437756 /nfs/dbraw/zinc/43/77/56/345437756.db2.gz BXGDONSLHICOAG-PWSUYJOCSA-N 1 3 194.322 1.766 10 0 ADAEHO Cn1ccnc1N[C@@H]1CCC[C@H]([NH3+])C1 306562100 345437797 /nfs/dbraw/zinc/43/77/97/345437797.db2.gz UFRFNTDYFYOBBQ-DTWKUNHWSA-N 1 3 194.282 1.102 10 0 ADAEHO Cn1ccnc1N[C@H]1CCC[C@H]([NH3+])C1 306562101 345437807 /nfs/dbraw/zinc/43/78/07/345437807.db2.gz UFRFNTDYFYOBBQ-IUCAKERBSA-N 1 3 194.282 1.102 10 0 ADAEHO CC[C@H]([NH3+])[C@@H](C)N1CCC2(CCC2)C1 306563376 345438840 /nfs/dbraw/zinc/43/88/40/345438840.db2.gz VRAHKKBXCHHDOH-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]([NH3+])[C@@H](C)N1CCC2(CCC2)C1 306563375 345439090 /nfs/dbraw/zinc/43/90/90/345439090.db2.gz VRAHKKBXCHHDOH-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]([NH3+])[C@H](C)N1CCC2(CCC2)C1 306563608 345439500 /nfs/dbraw/zinc/43/95/00/345439500.db2.gz VRAHKKBXCHHDOH-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO Cc1cc(O)cc(C)c1[C@H](N)CC[NH3+] 306564132 345439993 /nfs/dbraw/zinc/43/99/93/345439993.db2.gz DOXKATOXPYZEGH-SNVBAGLBSA-N 1 3 194.278 1.358 10 0 ADAEHO Cc1cc(O)cc(C)c1[C@@H](N)CC[NH3+] 306564131 345440259 /nfs/dbraw/zinc/44/02/59/345440259.db2.gz DOXKATOXPYZEGH-JTQLQIEISA-N 1 3 194.278 1.358 10 0 ADAEHO C1=C(CN2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 306564564 345440447 /nfs/dbraw/zinc/44/04/47/345440447.db2.gz DWKHWDHWQYHPMO-TXEJJXNPSA-N 1 3 192.306 1.248 10 0 ADAEHO C1=C(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 306564563 345440791 /nfs/dbraw/zinc/44/07/91/345440791.db2.gz DWKHWDHWQYHPMO-RYUDHWBXSA-N 1 3 192.306 1.248 10 0 ADAEHO C[N@H+](CC1=CCCC1)C1CCNCC1 306566071 345442578 /nfs/dbraw/zinc/44/25/78/345442578.db2.gz FWZBXDGAYMZMCB-UHFFFAOYSA-N 1 3 194.322 1.781 10 0 ADAEHO C[N@@H+](CC1=CCCC1)C1CCNCC1 306566071 345442580 /nfs/dbraw/zinc/44/25/80/345442580.db2.gz FWZBXDGAYMZMCB-UHFFFAOYSA-N 1 3 194.322 1.781 10 0 ADAEHO CC[C@H]1C[C@H](C)C[N@H+]1CC1CNC1 306566900 345443334 /nfs/dbraw/zinc/44/33/34/345443334.db2.gz GKBOKDVMUWMEPW-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H]1C[C@@H](C)C[N@@H+]1CC1CNC1 306566898 345443320 /nfs/dbraw/zinc/44/33/20/345443320.db2.gz GKBOKDVMUWMEPW-KOLCDFICSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H]1C[C@@H](C)C[N@H+]1CC1CNC1 306566898 345443323 /nfs/dbraw/zinc/44/33/23/345443323.db2.gz GKBOKDVMUWMEPW-KOLCDFICSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H]1C[C@H](C)C[N@@H+]1CC1CNC1 306566900 345443333 /nfs/dbraw/zinc/44/33/33/345443333.db2.gz GKBOKDVMUWMEPW-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@H](C)C[N@H+]1CC1CNC1 306566897 345443653 /nfs/dbraw/zinc/44/36/53/345443653.db2.gz GKBOKDVMUWMEPW-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@H](C)C[N@@H+]1CC1CNC1 306566897 345443650 /nfs/dbraw/zinc/44/36/50/345443650.db2.gz GKBOKDVMUWMEPW-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC1CNC1 306566899 345443741 /nfs/dbraw/zinc/44/37/41/345443741.db2.gz GKBOKDVMUWMEPW-MWLCHTKSSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H]1C[C@@H](C)C[N@H+]1CC1CNC1 306566899 345443745 /nfs/dbraw/zinc/44/37/45/345443745.db2.gz GKBOKDVMUWMEPW-MWLCHTKSSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1([N@@H+]2CC[C@H](N)[C@@H](C)C2)CC1 306569269 345445947 /nfs/dbraw/zinc/44/59/47/345445947.db2.gz WFQPFWGCFDXFLL-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@H+]2CC[C@H](N)[C@@H](C)C2)CC1 306569269 345445948 /nfs/dbraw/zinc/44/59/48/345445948.db2.gz WFQPFWGCFDXFLL-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 306569269 345445950 /nfs/dbraw/zinc/44/59/50/345445950.db2.gz WFQPFWGCFDXFLL-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@H+]2CC[C@H](N)[C@H](C)C2)CC1 306569272 345445982 /nfs/dbraw/zinc/44/59/82/345445982.db2.gz WFQPFWGCFDXFLL-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(N2CC[C@H]([NH3+])[C@H](C)C2)CC1 306569272 345445983 /nfs/dbraw/zinc/44/59/83/345445983.db2.gz WFQPFWGCFDXFLL-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@@H+]2CC[C@@H](N)[C@H](C)C2)CC1 306569268 345446078 /nfs/dbraw/zinc/44/60/78/345446078.db2.gz WFQPFWGCFDXFLL-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@H+]2CC[C@@H](N)[C@H](C)C2)CC1 306569268 345446079 /nfs/dbraw/zinc/44/60/79/345446079.db2.gz WFQPFWGCFDXFLL-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 306569268 345446081 /nfs/dbraw/zinc/44/60/81/345446081.db2.gz WFQPFWGCFDXFLL-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@@H]1[NH+]1CCC(N)CC1 306569201 345446187 /nfs/dbraw/zinc/44/61/87/345446187.db2.gz KRVBPVGYFSCVGZ-JTQLQIEISA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@@H+]2CC[C@@H](N)[C@@H](C)C2)CC1 306569271 345446196 /nfs/dbraw/zinc/44/61/96/345446196.db2.gz WFQPFWGCFDXFLL-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@H+]2CC[C@@H](N)[C@@H](C)C2)CC1 306569271 345446199 /nfs/dbraw/zinc/44/61/99/345446199.db2.gz WFQPFWGCFDXFLL-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 306569271 345446201 /nfs/dbraw/zinc/44/62/01/345446201.db2.gz WFQPFWGCFDXFLL-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1([N@@H+]2CC[C@@H](N)C[C@@H]2C)CC1 306570498 345447742 /nfs/dbraw/zinc/44/77/42/345447742.db2.gz YVOULSNBJTUKTM-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@H+]2CC[C@@H](N)C[C@@H]2C)CC1 306570498 345447747 /nfs/dbraw/zinc/44/77/47/345447747.db2.gz YVOULSNBJTUKTM-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1(N2CC[C@@H]([NH3+])C[C@@H]2C)CC1 306570498 345447750 /nfs/dbraw/zinc/44/77/50/345447750.db2.gz YVOULSNBJTUKTM-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@@H+]2CC[C@H](N)C[C@H]2C)CC1 306570499 345447974 /nfs/dbraw/zinc/44/79/74/345447974.db2.gz YVOULSNBJTUKTM-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@H+]2CC[C@H](N)C[C@H]2C)CC1 306570499 345447976 /nfs/dbraw/zinc/44/79/76/345447976.db2.gz YVOULSNBJTUKTM-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1(N2CC[C@H]([NH3+])C[C@H]2C)CC1 306570499 345447978 /nfs/dbraw/zinc/44/79/78/345447978.db2.gz YVOULSNBJTUKTM-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@@H+]2CC[C@@H](N)C[C@H]2C)CC1 306570496 345448003 /nfs/dbraw/zinc/44/80/03/345448003.db2.gz YVOULSNBJTUKTM-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@H+]2CC[C@@H](N)C[C@H]2C)CC1 306570496 345448005 /nfs/dbraw/zinc/44/80/05/345448005.db2.gz YVOULSNBJTUKTM-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1(N2CC[C@@H]([NH3+])C[C@H]2C)CC1 306570496 345448007 /nfs/dbraw/zinc/44/80/07/345448007.db2.gz YVOULSNBJTUKTM-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@@H+]2CC[C@H](N)C[C@@H]2C)CC1 306570497 345448090 /nfs/dbraw/zinc/44/80/90/345448090.db2.gz YVOULSNBJTUKTM-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1([N@H+]2CC[C@H](N)C[C@@H]2C)CC1 306570497 345448092 /nfs/dbraw/zinc/44/80/92/345448092.db2.gz YVOULSNBJTUKTM-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO CCC1(N2CC[C@H]([NH3+])C[C@@H]2C)CC1 306570497 345448094 /nfs/dbraw/zinc/44/80/94/345448094.db2.gz YVOULSNBJTUKTM-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO [NH3+]C1(CN2CCC3(CCCC3)C2)CC1 306570888 345448109 /nfs/dbraw/zinc/44/81/09/345448109.db2.gz ZPFHLGACWJLTBG-UHFFFAOYSA-N 1 3 194.322 1.744 10 0 ADAEHO CC1(C)CC[C@H]([NH3+])[C@@H](CN2CCC2)C1 306571144 345448450 /nfs/dbraw/zinc/44/84/50/345448450.db2.gz ZYKLBPZSUOOKBD-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@@H]([NH3+])[C@@H](CN2CCC2)C1 306571143 345448504 /nfs/dbraw/zinc/44/85/04/345448504.db2.gz ZYKLBPZSUOOKBD-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@@H]([NH3+])[C@H](CN2CCC2)C1 306571146 345448718 /nfs/dbraw/zinc/44/87/18/345448718.db2.gz ZYKLBPZSUOOKBD-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@H]([NH3+])[C@H](CN2CCC2)C1 306571145 345448763 /nfs/dbraw/zinc/44/87/63/345448763.db2.gz ZYKLBPZSUOOKBD-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO N[C@H](CC[NH3+])c1cccc2[nH]ccc12 306572604 345449606 /nfs/dbraw/zinc/44/96/06/345449606.db2.gz HPXCWXPFKWKSCP-SNVBAGLBSA-N 1 3 189.262 1.517 10 0 ADAEHO N[C@@H](CC[NH3+])c1cccc2[nH]ccc12 306572602 345449789 /nfs/dbraw/zinc/44/97/89/345449789.db2.gz HPXCWXPFKWKSCP-JTQLQIEISA-N 1 3 189.262 1.517 10 0 ADAEHO NC1CC[NH+]([C@H]2C[C@@H]3C[C@@H]3C2)CC1 306573711 345450788 /nfs/dbraw/zinc/45/07/88/345450788.db2.gz IGUHTXVGGCSYKT-DOFRTFSJSA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+]C1CCN([C@H]2C[C@@H]3C[C@@H]3C2)CC1 306573711 345450790 /nfs/dbraw/zinc/45/07/90/345450790.db2.gz IGUHTXVGGCSYKT-DOFRTFSJSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@H]1CC[C@H](C[NH2+]C2CCCC2)CN1 306575679 345452828 /nfs/dbraw/zinc/45/28/28/345452828.db2.gz JNMZJMXXLNVNAI-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO Cc1cc(F)ccc1[C@H](N)CC[NH3+] 306575592 345452846 /nfs/dbraw/zinc/45/28/46/345452846.db2.gz JPKULCYJTABUIY-SNVBAGLBSA-N 1 3 182.242 1.483 10 0 ADAEHO Cc1cc(F)ccc1[C@@H](N)CC[NH3+] 306575591 345452996 /nfs/dbraw/zinc/45/29/96/345452996.db2.gz JPKULCYJTABUIY-JTQLQIEISA-N 1 3 182.242 1.483 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH2+]C2CCCC2)CN1 306575678 345453079 /nfs/dbraw/zinc/45/30/79/345453079.db2.gz JNMZJMXXLNVNAI-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH2+]C2CCCC2)CN1 306575677 345453092 /nfs/dbraw/zinc/45/30/92/345453092.db2.gz JNMZJMXXLNVNAI-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC[C@@H](C[NH2+]C2CCCC2)CN1 306575680 345453125 /nfs/dbraw/zinc/45/31/25/345453125.db2.gz JNMZJMXXLNVNAI-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[C@H](C)C[NH+](CC2(C)CNC2)C1 306576174 345453354 /nfs/dbraw/zinc/45/33/54/345453354.db2.gz KEADLRWLOAVDTN-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@H](C)CN(CC2(C)C[NH2+]C2)C1 306576174 345453357 /nfs/dbraw/zinc/45/33/57/345453357.db2.gz KEADLRWLOAVDTN-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+](CC2(C)CNC2)C1 306576173 345453673 /nfs/dbraw/zinc/45/36/73/345453673.db2.gz KEADLRWLOAVDTN-PHIMTYICSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+](CC2(C)CNC2)C1 306576173 345453675 /nfs/dbraw/zinc/45/36/75/345453675.db2.gz KEADLRWLOAVDTN-PHIMTYICSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1C[C@@H](C)CN(CC2(C)C[NH2+]C2)C1 306576173 345453676 /nfs/dbraw/zinc/45/36/76/345453676.db2.gz KEADLRWLOAVDTN-PHIMTYICSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H](C)C[NH+](CC2(C)CNC2)C1 306576171 345453732 /nfs/dbraw/zinc/45/37/32/345453732.db2.gz KEADLRWLOAVDTN-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H](C)CN(CC2(C)C[NH2+]C2)C1 306576171 345453735 /nfs/dbraw/zinc/45/37/35/345453735.db2.gz KEADLRWLOAVDTN-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@@H+](C2CCC2)C[C@@H]1CN 306577411 345454564 /nfs/dbraw/zinc/45/45/64/345454564.db2.gz LGGBFTHJRKIULT-MXWKQRLJSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@H+](C2CCC2)C[C@@H]1CN 306577411 345454566 /nfs/dbraw/zinc/45/45/66/345454566.db2.gz LGGBFTHJRKIULT-MXWKQRLJSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@@H+]1C1CCC1 306577415 345454603 /nfs/dbraw/zinc/45/46/03/345454603.db2.gz LGGBFTHJRKIULT-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@H+]1C1CCC1 306577415 345454605 /nfs/dbraw/zinc/45/46/05/345454605.db2.gz LGGBFTHJRKIULT-VWYCJHECSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@@H+](C2CCC2)C[C@H]1CN 306577409 345454911 /nfs/dbraw/zinc/45/49/11/345454911.db2.gz LGGBFTHJRKIULT-GMTAPVOTSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@H+](C2CCC2)C[C@H]1CN 306577409 345454913 /nfs/dbraw/zinc/45/49/13/345454913.db2.gz LGGBFTHJRKIULT-GMTAPVOTSA-N 1 3 196.338 1.844 10 0 ADAEHO C1C[NH2+]C[C@@H](N[C@H]2C[C@@H]3C[C@@H]3C2)C1 306578167 345455394 /nfs/dbraw/zinc/45/53/94/345455394.db2.gz LWKXPXFHUPQJTE-VLEAKVRGSA-N 1 3 180.295 1.127 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@H+](CC2=CCCC2)C1 306580984 345458243 /nfs/dbraw/zinc/45/82/43/345458243.db2.gz OGYYBBQBPLQHNM-ZYHUDNBSSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H]1C[C@@H](N)C[N@@H+](CC2=CCCC2)C1 306580984 345458246 /nfs/dbraw/zinc/45/82/46/345458246.db2.gz OGYYBBQBPLQHNM-ZYHUDNBSSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1C[C@H](N)C[N@H+](CC2=CCCC2)C1 306580982 345458258 /nfs/dbraw/zinc/45/82/58/345458258.db2.gz OGYYBBQBPLQHNM-JQWIXIFHSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1C[C@H](N)C[N@@H+](CC2=CCCC2)C1 306580982 345458260 /nfs/dbraw/zinc/45/82/60/345458260.db2.gz OGYYBBQBPLQHNM-JQWIXIFHSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@H+](CC2=CCCC2)C1 306580983 345458391 /nfs/dbraw/zinc/45/83/91/345458391.db2.gz OGYYBBQBPLQHNM-PWSUYJOCSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H]1C[C@H](N)C[N@@H+](CC2=CCCC2)C1 306580983 345458393 /nfs/dbraw/zinc/45/83/93/345458393.db2.gz OGYYBBQBPLQHNM-PWSUYJOCSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1C[C@@H](N)C[N@H+](CC2=CCCC2)C1 306580981 345458476 /nfs/dbraw/zinc/45/84/76/345458476.db2.gz OGYYBBQBPLQHNM-CMPLNLGQSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@H]1C[C@@H](N)C[N@@H+](CC2=CCCC2)C1 306580981 345458477 /nfs/dbraw/zinc/45/84/77/345458477.db2.gz OGYYBBQBPLQHNM-CMPLNLGQSA-N 1 3 194.322 1.766 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@@H]2CNCC[C@H]2C1 306582533 345459860 /nfs/dbraw/zinc/45/98/60/345459860.db2.gz DLVMVUOMDMOZBI-SRVKXCTJSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@@H]2CNCC[C@H]2C1 306582533 345459861 /nfs/dbraw/zinc/45/98/61/345459861.db2.gz DLVMVUOMDMOZBI-SRVKXCTJSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@H]2CCNC[C@@H]2C1 306582531 345459883 /nfs/dbraw/zinc/45/98/83/345459883.db2.gz DLVMVUOMDMOZBI-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@H]2CCNC[C@@H]2C1 306582531 345459884 /nfs/dbraw/zinc/45/98/84/345459884.db2.gz DLVMVUOMDMOZBI-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@H]2CCNC[C@H]2C1 306582534 345459916 /nfs/dbraw/zinc/45/99/16/345459916.db2.gz DLVMVUOMDMOZBI-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@H]2CCNC[C@H]2C1 306582534 345459918 /nfs/dbraw/zinc/45/99/18/345459918.db2.gz DLVMVUOMDMOZBI-TUAOUCFPSA-N 1 3 196.338 1.574 10 0 ADAEHO C1=C(C[N@@H+]2CCCNCC2)CCCC1 306584087 345461022 /nfs/dbraw/zinc/46/10/22/345461022.db2.gz GEVXLRHUEUMOBF-UHFFFAOYSA-N 1 3 194.322 1.782 10 0 ADAEHO C1=C(C[N@H+]2CCCNCC2)CCCC1 306584087 345461025 /nfs/dbraw/zinc/46/10/25/345461025.db2.gz GEVXLRHUEUMOBF-UHFFFAOYSA-N 1 3 194.322 1.782 10 0 ADAEHO CC(C)(CC[NH3+])N1CC2(CCCC2)C1 306586046 345462776 /nfs/dbraw/zinc/46/27/76/345462776.db2.gz SZYHNFHXJAJSJI-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H](NC1CC(C)(C)C1)[C@H]1CC[NH2+]C1 306586348 345463151 /nfs/dbraw/zinc/46/31/51/345463151.db2.gz UCTMHSVKMAIWQL-ZJUUUORDSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](NC1CC(C)(C)C1)[C@H]1CC[NH2+]C1 306586344 345463209 /nfs/dbraw/zinc/46/32/09/345463209.db2.gz UCTMHSVKMAIWQL-UWVGGRQHSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](NC1CC(C)(C)C1)[C@@H]1CC[NH2+]C1 306586341 345463225 /nfs/dbraw/zinc/46/32/25/345463225.db2.gz UCTMHSVKMAIWQL-NXEZZACHSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[N@@H+]1C(C)(C)CCN 306586236 345463364 /nfs/dbraw/zinc/46/33/64/345463364.db2.gz TWCRHGHNCRHDRN-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1CC[N@H+]1C(C)(C)CCN 306586236 345463366 /nfs/dbraw/zinc/46/33/66/345463366.db2.gz TWCRHGHNCRHDRN-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CC[N@@H+]1C(C)(C)CCN 306586237 345463436 /nfs/dbraw/zinc/46/34/36/345463436.db2.gz TWCRHGHNCRHDRN-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CC[N@H+]1C(C)(C)CCN 306586237 345463439 /nfs/dbraw/zinc/46/34/39/345463439.db2.gz TWCRHGHNCRHDRN-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 306586745 345463883 /nfs/dbraw/zinc/46/38/83/345463883.db2.gz LHIUGQWVHUXJDT-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@H](N)CC1 306586745 345463884 /nfs/dbraw/zinc/46/38/84/345463884.db2.gz LHIUGQWVHUXJDT-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@H](N)CC1 306586744 345463920 /nfs/dbraw/zinc/46/39/20/345463920.db2.gz LHIUGQWVHUXJDT-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1CCC[C@H](N)CC1 306586744 345463925 /nfs/dbraw/zinc/46/39/25/345463925.db2.gz LHIUGQWVHUXJDT-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 306586743 345463961 /nfs/dbraw/zinc/46/39/61/345463961.db2.gz LHIUGQWVHUXJDT-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@H](N)CC1 306586743 345463964 /nfs/dbraw/zinc/46/39/64/345463964.db2.gz LHIUGQWVHUXJDT-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 306586742 345464007 /nfs/dbraw/zinc/46/40/07/345464007.db2.gz LHIUGQWVHUXJDT-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 306586742 345464012 /nfs/dbraw/zinc/46/40/12/345464012.db2.gz LHIUGQWVHUXJDT-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H](CN2CCCCC2)C[NH2+]1 306588489 345465589 /nfs/dbraw/zinc/46/55/89/345465589.db2.gz VRJOUQDIOALSGZ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[C@H](CN2CCCCC2)C[NH2+]1 306588486 345465702 /nfs/dbraw/zinc/46/57/02/345465702.db2.gz VRJOUQDIOALSGZ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[C@H](CN2CCCCC2)C[NH2+]1 306588488 345465754 /nfs/dbraw/zinc/46/57/54/345465754.db2.gz VRJOUQDIOALSGZ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[C@@H](CN2CCCCC2)C[NH2+]1 306588487 345465777 /nfs/dbraw/zinc/46/57/77/345465777.db2.gz VRJOUQDIOALSGZ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C2CCCC2)CN1 306589852 345466817 /nfs/dbraw/zinc/46/68/17/345466817.db2.gz UQAXSHGAWLDVEC-SCZZXKLOSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C2CCCC2)CN1 306589851 345466845 /nfs/dbraw/zinc/46/68/45/345466845.db2.gz UQAXSHGAWLDVEC-PSASIEDQSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]C2CCCC2)CN1 306589854 345466986 /nfs/dbraw/zinc/46/69/86/345466986.db2.gz UQAXSHGAWLDVEC-WPRPVWTQSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C2CCCC2)CN1 306589853 345467132 /nfs/dbraw/zinc/46/71/32/345467132.db2.gz UQAXSHGAWLDVEC-WCBMZHEXSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]([C@H]1CC[NH2+]C1)N(C)C1CC1 306590125 345467549 /nfs/dbraw/zinc/46/75/49/345467549.db2.gz XQOUUFYSKKKUTC-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H](N)CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306590026 345467581 /nfs/dbraw/zinc/46/75/81/345467581.db2.gz PCCGBABPXXCHRH-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([C@H]1CC[NH2+]C1)N(C)C1CC1 306590123 345467631 /nfs/dbraw/zinc/46/76/31/345467631.db2.gz XQOUUFYSKKKUTC-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]([C@@H]1CC[NH2+]C1)N(C)C1CC1 306590124 345467713 /nfs/dbraw/zinc/46/77/13/345467713.db2.gz XQOUUFYSKKKUTC-DTWKUNHWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]([C@@H]1CC[NH2+]C1)N(C)C1CC1 306590126 345467748 /nfs/dbraw/zinc/46/77/48/345467748.db2.gz XQOUUFYSKKKUTC-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306591877 345469176 /nfs/dbraw/zinc/46/91/76/345469176.db2.gz VYQCTSRAEQZZMP-MMWGEVLESA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306591877 345469177 /nfs/dbraw/zinc/46/91/77/345469177.db2.gz VYQCTSRAEQZZMP-MMWGEVLESA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@]1([NH2+]C[C@@H]2CCCN2)CC=CCC1 306592182 345469197 /nfs/dbraw/zinc/46/91/97/345469197.db2.gz WFPVKXMXCYMSQK-RYUDHWBXSA-N 1 3 194.322 1.827 10 0 ADAEHO C[C@@]1([NH2+]C[C@@H]2CCCN2)CC=CCC1 306592181 345469266 /nfs/dbraw/zinc/46/92/66/345469266.db2.gz WFPVKXMXCYMSQK-NWDGAFQWSA-N 1 3 194.322 1.827 10 0 ADAEHO C[C@]1([NH2+]C[C@H]2CCCN2)CC=CCC1 306592180 345469280 /nfs/dbraw/zinc/46/92/80/345469280.db2.gz WFPVKXMXCYMSQK-NEPJUHHUSA-N 1 3 194.322 1.827 10 0 ADAEHO NC[C@H]1CC[N@@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306591874 345469297 /nfs/dbraw/zinc/46/92/97/345469297.db2.gz VYQCTSRAEQZZMP-CHWFTXMASA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@H]1CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306591874 345469300 /nfs/dbraw/zinc/46/93/00/345469300.db2.gz VYQCTSRAEQZZMP-CHWFTXMASA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@@]1([NH2+]C[C@H]2CCCN2)CC=CCC1 306592183 345469349 /nfs/dbraw/zinc/46/93/49/345469349.db2.gz WFPVKXMXCYMSQK-VXGBXAGGSA-N 1 3 194.322 1.827 10 0 ADAEHO Cc1cc(Cl)ccc1[C@@H](N)CC[NH3+] 306592724 345469764 /nfs/dbraw/zinc/46/97/64/345469764.db2.gz WPDLCVTWSKKYPS-JTQLQIEISA-N 1 3 198.697 1.997 10 0 ADAEHO Cc1cc(Cl)ccc1[C@H](N)CC[NH3+] 306592725 345469815 /nfs/dbraw/zinc/46/98/15/345469815.db2.gz WPDLCVTWSKKYPS-SNVBAGLBSA-N 1 3 198.697 1.997 10 0 ADAEHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1CC1(C)C 306594449 345471118 /nfs/dbraw/zinc/47/11/18/345471118.db2.gz XKAGWRJMPGIRTQ-ONGXEEELSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]C1CCNCC1)[C@H]1CC1(C)C 306594443 345471384 /nfs/dbraw/zinc/47/13/84/345471384.db2.gz XKAGWRJMPGIRTQ-GXSJLCMTSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)(CN)C[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 306595354 345472064 /nfs/dbraw/zinc/47/20/64/345472064.db2.gz KRDPVHOCYARLCE-AOOOYVTPSA-N 1 3 196.338 1.559 10 0 ADAEHO CC(C)(CN)C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 306595354 345472066 /nfs/dbraw/zinc/47/20/66/345472066.db2.gz KRDPVHOCYARLCE-AOOOYVTPSA-N 1 3 196.338 1.559 10 0 ADAEHO C[C@H]1CNC[C@H](C[NH2+]C2(C)CCC2)C1 306596133 345472838 /nfs/dbraw/zinc/47/28/38/345472838.db2.gz YMHIMPDUWIRKAZ-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CNC[C@@H](C[NH2+]C2(C)CCC2)C1 306596135 345473050 /nfs/dbraw/zinc/47/30/50/345473050.db2.gz YMHIMPDUWIRKAZ-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1CNC[C@@H](C[NH2+]C2(C)CCC2)C1 306596134 345473056 /nfs/dbraw/zinc/47/30/56/345473056.db2.gz YMHIMPDUWIRKAZ-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CNC[C@H](C[NH2+]C2(C)CCC2)C1 306596136 345473069 /nfs/dbraw/zinc/47/30/69/345473069.db2.gz YMHIMPDUWIRKAZ-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)(C)[C@@H]([NH3+])CN1C[C@H]2C[C@H]2C1 306602241 345477904 /nfs/dbraw/zinc/47/79/04/345477904.db2.gz VORRAZIDZWETSW-AEJSXWLSSA-N 1 3 182.311 1.312 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@@H]2CCC[C@H]21 306602628 345478592 /nfs/dbraw/zinc/47/85/92/345478592.db2.gz LVAXGPJJAQBLNG-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 306602629 345478561 /nfs/dbraw/zinc/47/85/61/345478561.db2.gz LVAXGPJJAQBLNG-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@@H]2CCC[C@@H]21 306602629 345478566 /nfs/dbraw/zinc/47/85/66/345478566.db2.gz LVAXGPJJAQBLNG-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@@H]2CCC[C@H]21 306602628 345478594 /nfs/dbraw/zinc/47/85/94/345478594.db2.gz LVAXGPJJAQBLNG-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@H]2CCC[C@H]21 306602626 345478713 /nfs/dbraw/zinc/47/87/13/345478713.db2.gz LVAXGPJJAQBLNG-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@H]2CCC[C@H]21 306602626 345478716 /nfs/dbraw/zinc/47/87/16/345478716.db2.gz LVAXGPJJAQBLNG-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CC[C@H]2CCC[C@@H]21 306602627 345478740 /nfs/dbraw/zinc/47/87/40/345478740.db2.gz LVAXGPJJAQBLNG-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H](C)C[N@H+]1CC[C@H]2CCC[C@@H]21 306602627 345478743 /nfs/dbraw/zinc/47/87/43/345478743.db2.gz LVAXGPJJAQBLNG-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1CC(N2CC[C@H]3C[NH2+]C[C@H]32)C1 306603428 345479025 /nfs/dbraw/zinc/47/90/25/345479025.db2.gz MPZBPVDHQKIEQU-QONHTCSSSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1C[C@@H](C)CC(C[NH3+])(N2CCC2)C1 306610243 345484459 /nfs/dbraw/zinc/48/44/59/345484459.db2.gz DYJMZUWXQGVPFB-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[C@@H](C)C[C@](C[NH3+])(N2CCC2)C1 306610241 345484689 /nfs/dbraw/zinc/48/46/89/345484689.db2.gz DYJMZUWXQGVPFB-GDNZZTSVSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1CN([C@H]2C[C@H]([NH3+])C2(C)C)C1 306610824 345485037 /nfs/dbraw/zinc/48/50/37/345485037.db2.gz LEJOHOWCDSECEF-UWVGGRQHSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1C[NH+]([C@H]2C[C@H](N)C2(C)C)C1 306610824 345485040 /nfs/dbraw/zinc/48/50/40/345485040.db2.gz LEJOHOWCDSECEF-UWVGGRQHSA-N 1 3 182.311 1.454 10 0 ADAEHO [NH3+]CC=C1CCN(C2CC2)CC1 306610838 345485119 /nfs/dbraw/zinc/48/51/19/345485119.db2.gz LFCJVVSIPUFZQW-UHFFFAOYSA-N 1 3 166.268 1.130 10 0 ADAEHO CCC1CN([C@H]2C[C@@H]([NH3+])C2(C)C)C1 306610827 345485157 /nfs/dbraw/zinc/48/51/57/345485157.db2.gz LEJOHOWCDSECEF-ZJUUUORDSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1C[NH+]([C@H]2C[C@@H](N)C2(C)C)C1 306610827 345485158 /nfs/dbraw/zinc/48/51/58/345485158.db2.gz LEJOHOWCDSECEF-ZJUUUORDSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1CN([C@@H]2C[C@@H]([NH3+])C2(C)C)C1 306610823 345485182 /nfs/dbraw/zinc/48/51/82/345485182.db2.gz LEJOHOWCDSECEF-NXEZZACHSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1C[NH+]([C@@H]2C[C@@H](N)C2(C)C)C1 306610823 345485183 /nfs/dbraw/zinc/48/51/83/345485183.db2.gz LEJOHOWCDSECEF-NXEZZACHSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1CN([C@@H]2C[C@H]([NH3+])C2(C)C)C1 306610826 345485246 /nfs/dbraw/zinc/48/52/46/345485246.db2.gz LEJOHOWCDSECEF-VHSXEESVSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1C[NH+]([C@@H]2C[C@H](N)C2(C)C)C1 306610826 345485248 /nfs/dbraw/zinc/48/52/48/345485248.db2.gz LEJOHOWCDSECEF-VHSXEESVSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1CC([N@@H+]2CCCC[C@@H](CN)C2)C1 306611443 345485497 /nfs/dbraw/zinc/48/54/97/345485497.db2.gz GFMUXTQJHCBHRT-CXQJBGSLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1CC([N@H+]2CCCC[C@@H](CN)C2)C1 306611443 345485498 /nfs/dbraw/zinc/48/54/98/345485498.db2.gz GFMUXTQJHCBHRT-CXQJBGSLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1CC([N@@H+]2CCCC[C@H](CN)C2)C1 306611444 345485613 /nfs/dbraw/zinc/48/56/13/345485613.db2.gz GFMUXTQJHCBHRT-MOENNCHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1CC([N@H+]2CCCC[C@H](CN)C2)C1 306611444 345485617 /nfs/dbraw/zinc/48/56/17/345485617.db2.gz GFMUXTQJHCBHRT-MOENNCHZSA-N 1 3 196.338 1.846 10 0 ADAEHO CN[C@@H](C)C[NH+]1C[C@@H]2CCCC[C@H]2C1 306611972 345486107 /nfs/dbraw/zinc/48/61/07/345486107.db2.gz HOGHEPDEWLAXFB-SRVKXCTJSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)C[NH+]1C[C@H]2CCCC[C@@H]2C1 306611970 345486218 /nfs/dbraw/zinc/48/62/18/345486218.db2.gz HOGHEPDEWLAXFB-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1C[C@H]2CCCC[C@H]2C1 306611971 345486313 /nfs/dbraw/zinc/48/63/13/345486313.db2.gz HOGHEPDEWLAXFB-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)C[N@H+]1C[C@H]2CCCC[C@H]2C1 306611971 345486317 /nfs/dbraw/zinc/48/63/17/345486317.db2.gz HOGHEPDEWLAXFB-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO Cc1ccc([C@H](N)CC[NH3+])cc1Cl 306614146 345487465 /nfs/dbraw/zinc/48/74/65/345487465.db2.gz ONAYJNBYUQUXDX-SNVBAGLBSA-N 1 3 198.697 1.997 10 0 ADAEHO Cc1ccc([C@@H](N)CC[NH3+])cc1Cl 306614145 345487804 /nfs/dbraw/zinc/48/78/04/345487804.db2.gz ONAYJNBYUQUXDX-JTQLQIEISA-N 1 3 198.697 1.997 10 0 ADAEHO C[C@H]1CC[C@@H](CN2CCCC2)C[NH2+]1 306619991 345492783 /nfs/dbraw/zinc/49/27/83/345492783.db2.gz UMGHMWYKKLBLNO-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@@H](C[NH+]2CCCC2)CN1 306619991 345492784 /nfs/dbraw/zinc/49/27/84/345492784.db2.gz UMGHMWYKKLBLNO-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@H](CN2CCCC2)C[NH2+]1 306619989 345492936 /nfs/dbraw/zinc/49/29/36/345492936.db2.gz UMGHMWYKKLBLNO-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@H](C[NH+]2CCCC2)CN1 306619989 345492937 /nfs/dbraw/zinc/49/29/37/345492937.db2.gz UMGHMWYKKLBLNO-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@H](CN2CCCC2)C[NH2+]1 306619988 345493018 /nfs/dbraw/zinc/49/30/18/345493018.db2.gz UMGHMWYKKLBLNO-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH+]2CCCC2)CN1 306619988 345493020 /nfs/dbraw/zinc/49/30/20/345493020.db2.gz UMGHMWYKKLBLNO-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@@H](CN2CCCC2)C[NH2+]1 306619987 345493034 /nfs/dbraw/zinc/49/30/34/345493034.db2.gz UMGHMWYKKLBLNO-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH+]2CCCC2)CN1 306619987 345493038 /nfs/dbraw/zinc/49/30/38/345493038.db2.gz UMGHMWYKKLBLNO-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO Cc1cccc(C)c1[C@H](N)CC[NH3+] 306622322 345494656 /nfs/dbraw/zinc/49/46/56/345494656.db2.gz WGKHTJNUUJNRLD-SNVBAGLBSA-N 1 3 178.279 1.652 10 0 ADAEHO Cc1cccc(C)c1[C@@H](N)CC[NH3+] 306622321 345494907 /nfs/dbraw/zinc/49/49/07/345494907.db2.gz WGKHTJNUUJNRLD-JTQLQIEISA-N 1 3 178.279 1.652 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCNC1 306623367 345495232 /nfs/dbraw/zinc/49/52/32/345495232.db2.gz BJSRHOCJBOHIIL-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCNC1 306623365 345495335 /nfs/dbraw/zinc/49/53/35/345495335.db2.gz BJSRHOCJBOHIIL-GMTAPVOTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CNC1CC(C)(C)C1 306623210 345495413 /nfs/dbraw/zinc/49/54/13/345495413.db2.gz DHIKONOCPXMPKJ-ZJUUUORDSA-N 1 3 196.338 1.620 10 0 ADAEHO CCCC[N@@H+]1CC[C@]2(CCCNC2)C1 306624958 345496396 /nfs/dbraw/zinc/49/63/96/345496396.db2.gz GDYBYOKDDWTUKX-LBPRGKRZSA-N 1 3 196.338 1.862 10 0 ADAEHO CCCC[N@H+]1CC[C@]2(CCCNC2)C1 306624958 345496398 /nfs/dbraw/zinc/49/63/98/345496398.db2.gz GDYBYOKDDWTUKX-LBPRGKRZSA-N 1 3 196.338 1.862 10 0 ADAEHO CCCC[N@@H+]1CC[C@@]2(CCCNC2)C1 306624957 345496469 /nfs/dbraw/zinc/49/64/69/345496469.db2.gz GDYBYOKDDWTUKX-GFCCVEGCSA-N 1 3 196.338 1.862 10 0 ADAEHO CCCC[N@H+]1CC[C@@]2(CCCNC2)C1 306624957 345496471 /nfs/dbraw/zinc/49/64/71/345496471.db2.gz GDYBYOKDDWTUKX-GFCCVEGCSA-N 1 3 196.338 1.862 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1N1C2CCC1CC2 306630251 345500942 /nfs/dbraw/zinc/50/09/42/345500942.db2.gz CQDYCAYJQDBQOX-WFBLGPOFSA-N 1 3 180.295 1.493 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1N1C2CCC1CC2 306630249 345500984 /nfs/dbraw/zinc/50/09/84/345500984.db2.gz CQDYCAYJQDBQOX-TVUZUIDESA-N 1 3 180.295 1.493 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N1C2CCC1CC2 306631870 345501420 /nfs/dbraw/zinc/50/14/20/345501420.db2.gz DSJFBGKSNJJGQN-AFWXGSBKSA-N 1 3 168.284 1.349 10 0 ADAEHO C[C@@H]([C@@H](C)[NH3+])N1C2CCC1CC2 306631873 345501477 /nfs/dbraw/zinc/50/14/77/345501477.db2.gz DSJFBGKSNJJGQN-XHHQTKHESA-N 1 3 168.284 1.349 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N1C2CCC1CC2 306631871 345501633 /nfs/dbraw/zinc/50/16/33/345501633.db2.gz DSJFBGKSNJJGQN-DKEVHCRPSA-N 1 3 168.284 1.349 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](C)N1C2CCC1CC2 306631872 345501676 /nfs/dbraw/zinc/50/16/76/345501676.db2.gz DSJFBGKSNJJGQN-LGUIWLBCSA-N 1 3 168.284 1.349 10 0 ADAEHO CCC[N@@H+]1CC[C@]2(CCC[C@H]2N)C1 306634020 345502461 /nfs/dbraw/zinc/50/24/61/345502461.db2.gz UHLOTZOPSUNKNC-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@H+]1CC[C@]2(CCC[C@H]2N)C1 306634020 345502464 /nfs/dbraw/zinc/50/24/64/345502464.db2.gz UHLOTZOPSUNKNC-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@@H+]1CC[C@@]2(CCC[C@H]2N)C1 306634021 345502521 /nfs/dbraw/zinc/50/25/21/345502521.db2.gz UHLOTZOPSUNKNC-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@H+]1CC[C@@]2(CCC[C@H]2N)C1 306634021 345502524 /nfs/dbraw/zinc/50/25/24/345502524.db2.gz UHLOTZOPSUNKNC-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@@H+]1CC[C@@]2(CCC[C@@H]2N)C1 306634022 345502614 /nfs/dbraw/zinc/50/26/14/345502614.db2.gz UHLOTZOPSUNKNC-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@H+]1CC[C@@]2(CCC[C@@H]2N)C1 306634022 345502617 /nfs/dbraw/zinc/50/26/17/345502617.db2.gz UHLOTZOPSUNKNC-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@@H+]1CC[C@]2(CCC[C@@H]2N)C1 306634023 345502668 /nfs/dbraw/zinc/50/26/68/345502668.db2.gz UHLOTZOPSUNKNC-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO CCC[N@H+]1CC[C@]2(CCC[C@@H]2N)C1 306634023 345502670 /nfs/dbraw/zinc/50/26/70/345502670.db2.gz UHLOTZOPSUNKNC-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1C1CC(C)(C)C1 306636358 345504210 /nfs/dbraw/zinc/50/42/10/345504210.db2.gz APWISQWAVAOFGA-PSASIEDQSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1C1CC(C)(C)C1 306636384 345504332 /nfs/dbraw/zinc/50/43/32/345504332.db2.gz APWISQWAVAOFGA-WPRPVWTQSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1C1CC(C)(C)C1 306636367 345504364 /nfs/dbraw/zinc/50/43/64/345504364.db2.gz APWISQWAVAOFGA-SCZZXKLOSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H]([NH3+])CCN1C1CC(C)(C)C1 306636379 345504391 /nfs/dbraw/zinc/50/43/91/345504391.db2.gz APWISQWAVAOFGA-WCBMZHEXSA-N 1 3 182.311 1.597 10 0 ADAEHO C[N@H+]([C@@H]1CC[C@@H](N)C1)C(C)(C)C 306636997 345504913 /nfs/dbraw/zinc/50/49/13/345504913.db2.gz BKQSXQZUNNBFLV-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@@H+]([C@@H]1CC[C@@H](N)C1)C(C)(C)C 306636997 345504914 /nfs/dbraw/zinc/50/49/14/345504914.db2.gz BKQSXQZUNNBFLV-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@H+]([C@@H]1CC[C@H](N)C1)C(C)(C)C 306636994 345504969 /nfs/dbraw/zinc/50/49/69/345504969.db2.gz BKQSXQZUNNBFLV-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@@H+]([C@@H]1CC[C@H](N)C1)C(C)(C)C 306636994 345504970 /nfs/dbraw/zinc/50/49/70/345504970.db2.gz BKQSXQZUNNBFLV-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@H+]([C@H]1CC[C@@H](N)C1)C(C)(C)C 306636992 345505038 /nfs/dbraw/zinc/50/50/38/345505038.db2.gz BKQSXQZUNNBFLV-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@@H+]([C@H]1CC[C@@H](N)C1)C(C)(C)C 306636992 345505039 /nfs/dbraw/zinc/50/50/39/345505039.db2.gz BKQSXQZUNNBFLV-BDAKNGLRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@H+]([C@H]1CC[C@H](N)C1)C(C)(C)C 306636996 345505133 /nfs/dbraw/zinc/50/51/33/345505133.db2.gz BKQSXQZUNNBFLV-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO C[N@@H+]([C@H]1CC[C@H](N)C1)C(C)(C)C 306636996 345505134 /nfs/dbraw/zinc/50/51/34/345505134.db2.gz BKQSXQZUNNBFLV-IUCAKERBSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)=CC[N@H+]1CCNC[C@H](C)C1 306638931 345507445 /nfs/dbraw/zinc/50/74/45/345507445.db2.gz NOZRPIPQUNUOMS-NSHDSACASA-N 1 3 182.311 1.494 10 0 ADAEHO CC(C)=CC[N@@H+]1CCNC[C@H](C)C1 306638931 345507448 /nfs/dbraw/zinc/50/74/48/345507448.db2.gz NOZRPIPQUNUOMS-NSHDSACASA-N 1 3 182.311 1.494 10 0 ADAEHO CC(C)=CC[N@H+]1CCNC[C@@H](C)C1 306638930 345507480 /nfs/dbraw/zinc/50/74/80/345507480.db2.gz NOZRPIPQUNUOMS-LLVKDONJSA-N 1 3 182.311 1.494 10 0 ADAEHO CC(C)=CC[N@@H+]1CCNC[C@@H](C)C1 306638930 345507483 /nfs/dbraw/zinc/50/74/83/345507483.db2.gz NOZRPIPQUNUOMS-LLVKDONJSA-N 1 3 182.311 1.494 10 0 ADAEHO [NH3+]C1(CN2C3CCC2CC3)CCC1 306645552 345514813 /nfs/dbraw/zinc/51/48/13/345514813.db2.gz FCFOZVSYZSNPSS-UHFFFAOYSA-N 1 3 180.295 1.495 10 0 ADAEHO CN1CC[C@@H]([NH3+])CC(C)(C)C1 306648084 345516031 /nfs/dbraw/zinc/51/60/31/345516031.db2.gz BFWJVOOLNZZJSU-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)CC(C)(C)C1 306648084 345516032 /nfs/dbraw/zinc/51/60/32/345516032.db2.gz BFWJVOOLNZZJSU-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@H+]1CC[C@@H](N)CC(C)(C)C1 306648084 345516034 /nfs/dbraw/zinc/51/60/34/345516034.db2.gz BFWJVOOLNZZJSU-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[C@H](N(C)C2CC([NH3+])C2)C1 306647910 345516057 /nfs/dbraw/zinc/51/60/57/345516057.db2.gz DJTITNWBNOQCBY-VKAADOFISA-N 1 3 182.311 1.597 10 0 ADAEHO CN1CC[C@H]([NH3+])CC(C)(C)C1 306648086 345516083 /nfs/dbraw/zinc/51/60/83/345516083.db2.gz BFWJVOOLNZZJSU-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@@H+]1CC[C@H](N)CC(C)(C)C1 306648086 345516084 /nfs/dbraw/zinc/51/60/84/345516084.db2.gz BFWJVOOLNZZJSU-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@H+]1CC[C@H](N)CC(C)(C)C1 306648086 345516085 /nfs/dbraw/zinc/51/60/85/345516085.db2.gz BFWJVOOLNZZJSU-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[C@@H](N(C)C2CC([NH3+])C2)C1 306647903 345516092 /nfs/dbraw/zinc/51/60/92/345516092.db2.gz DJTITNWBNOQCBY-BZCXBAJXSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CC[C@@H](N(C)C2CC([NH3+])C2)C1 306647906 345516123 /nfs/dbraw/zinc/51/61/23/345516123.db2.gz DJTITNWBNOQCBY-QPBDYMMBSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CC[C@H](N(C)C2CC([NH3+])C2)C1 306647914 345516198 /nfs/dbraw/zinc/51/61/98/345516198.db2.gz DJTITNWBNOQCBY-XEAZBWPWSA-N 1 3 182.311 1.597 10 0 ADAEHO C1C[C@@H](CN2CCC3(CC3)C2)C[NH2+]1 306649564 345516941 /nfs/dbraw/zinc/51/69/41/345516941.db2.gz BOUNURISTHUKRA-SNVBAGLBSA-N 1 3 180.295 1.082 10 0 ADAEHO C1C[C@H](CN2CCC3(CC3)C2)C[NH2+]1 306649563 345517007 /nfs/dbraw/zinc/51/70/07/345517007.db2.gz BOUNURISTHUKRA-JTQLQIEISA-N 1 3 180.295 1.082 10 0 ADAEHO CC[C@@H]1[C@H](CN)CC[N@@H+]1CC 306659203 345524386 /nfs/dbraw/zinc/52/43/86/345524386.db2.gz LEOUFHYMFZPAPV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1[C@H](CN)CC[N@H+]1CC 306659203 345524388 /nfs/dbraw/zinc/52/43/88/345524388.db2.gz LEOUFHYMFZPAPV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)CCN1C[C@@]1(C)CC[NH2+]C1 306659027 345524395 /nfs/dbraw/zinc/52/43/95/345524395.db2.gz JFZVYHXXOGUCEJ-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1[C@H](CN)CC[N@@H+]1CC 306659204 345524485 /nfs/dbraw/zinc/52/44/85/345524485.db2.gz LEOUFHYMFZPAPV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1[C@H](CN)CC[N@H+]1CC 306659204 345524489 /nfs/dbraw/zinc/52/44/89/345524489.db2.gz LEOUFHYMFZPAPV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)CCN1C[C@]1(C)CC[NH2+]C1 306659026 345524590 /nfs/dbraw/zinc/52/45/90/345524590.db2.gz JFZVYHXXOGUCEJ-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H]1[C@@H](CN)CC[N@@H+]1CC 306659202 345524799 /nfs/dbraw/zinc/52/47/99/345524799.db2.gz LEOUFHYMFZPAPV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1[C@@H](CN)CC[N@H+]1CC 306659202 345524802 /nfs/dbraw/zinc/52/48/02/345524802.db2.gz LEOUFHYMFZPAPV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CC[N@@H+]1CC 306659205 345524834 /nfs/dbraw/zinc/52/48/34/345524834.db2.gz LEOUFHYMFZPAPV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CC[N@H+]1CC 306659205 345524836 /nfs/dbraw/zinc/52/48/36/345524836.db2.gz LEOUFHYMFZPAPV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H](CN)CC[C@H]1C 306662516 345526351 /nfs/dbraw/zinc/52/63/51/345526351.db2.gz PUBBWVQBIHZOQU-KKOKHZNYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1C[C@@H](CN)CC[C@H]1C 306662516 345526353 /nfs/dbraw/zinc/52/63/53/345526353.db2.gz PUBBWVQBIHZOQU-KKOKHZNYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1[C@H]1CC[C@H]1C 306662518 345526988 /nfs/dbraw/zinc/52/69/88/345526988.db2.gz PUBBWVQBIHZOQU-RHYQMDGZSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1[C@H]1CC[C@H]1C 306662518 345526990 /nfs/dbraw/zinc/52/69/90/345526990.db2.gz PUBBWVQBIHZOQU-RHYQMDGZSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1[C@H]1CC[C@H]1C 306662517 345527175 /nfs/dbraw/zinc/52/71/75/345527175.db2.gz PUBBWVQBIHZOQU-KXNHARMFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1[C@H]1CC[C@H]1C 306662517 345527178 /nfs/dbraw/zinc/52/71/78/345527178.db2.gz PUBBWVQBIHZOQU-KXNHARMFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1C[C@H](CN)CC[C@H]1C 306662519 345527270 /nfs/dbraw/zinc/52/72/70/345527270.db2.gz PUBBWVQBIHZOQU-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1C[C@H](CN)CC[C@H]1C 306662519 345527274 /nfs/dbraw/zinc/52/72/74/345527274.db2.gz PUBBWVQBIHZOQU-WYUUTHIRSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1NCCC[C@@H]1C[NH2+]C1CCCC1 306668025 345530812 /nfs/dbraw/zinc/53/08/12/345530812.db2.gz FNPKHULWLVSCCL-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1NCCC[C@H]1C[NH2+]C1CCCC1 306668027 345530822 /nfs/dbraw/zinc/53/08/22/345530822.db2.gz FNPKHULWLVSCCL-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1NCCC[C@H]1C[NH2+]C1CCCC1 306668026 345530951 /nfs/dbraw/zinc/53/09/51/345530951.db2.gz FNPKHULWLVSCCL-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1NCCC[C@@H]1C[NH2+]C1CCCC1 306668028 345531022 /nfs/dbraw/zinc/53/10/22/345531022.db2.gz FNPKHULWLVSCCL-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](N)C2)[C@@H]1C 306670235 345532372 /nfs/dbraw/zinc/53/23/72/345532372.db2.gz XMJMYAOHVCYYHV-CHWFTXMASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](N)C2)[C@@H]1C 306670235 345532373 /nfs/dbraw/zinc/53/23/73/345532373.db2.gz XMJMYAOHVCYYHV-CHWFTXMASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1NCCC[C@@H]1C[NH2+]C1CCC1 306670092 345532355 /nfs/dbraw/zinc/53/23/55/345532355.db2.gz HDKAARCDGCXQHD-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](N)C2)[C@@H]1C 306670237 345532540 /nfs/dbraw/zinc/53/25/40/345532540.db2.gz XMJMYAOHVCYYHV-GWOFURMSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](N)C2)[C@@H]1C 306670237 345532542 /nfs/dbraw/zinc/53/25/42/345532542.db2.gz XMJMYAOHVCYYHV-GWOFURMSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1NCCC[C@H]1C[NH2+]C1CCC1 306670091 345532556 /nfs/dbraw/zinc/53/25/56/345532556.db2.gz HDKAARCDGCXQHD-UWVGGRQHSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@@H](N)C1 306670239 345532585 /nfs/dbraw/zinc/53/25/85/345532585.db2.gz XMJMYAOHVCYYHV-LMLFDSFASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@@H](N)C1 306670239 345532587 /nfs/dbraw/zinc/53/25/87/345532587.db2.gz XMJMYAOHVCYYHV-LMLFDSFASA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1NCCC[C@@H]1C[NH2+]C1CCC1 306670089 345532597 /nfs/dbraw/zinc/53/25/97/345532597.db2.gz HDKAARCDGCXQHD-NXEZZACHSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@H](N)C1 306670241 345532611 /nfs/dbraw/zinc/53/26/11/345532611.db2.gz XMJMYAOHVCYYHV-VPOLOUISSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@H](N)C1 306670241 345532612 /nfs/dbraw/zinc/53/26/12/345532612.db2.gz XMJMYAOHVCYYHV-VPOLOUISSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1NCCC[C@H]1C[NH2+]C1CCC1 306670094 345532650 /nfs/dbraw/zinc/53/26/50/345532650.db2.gz HDKAARCDGCXQHD-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 306671333 345533098 /nfs/dbraw/zinc/53/30/98/345533098.db2.gz YPFOSFLZUKBBLT-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 306671333 345533099 /nfs/dbraw/zinc/53/30/99/345533099.db2.gz YPFOSFLZUKBBLT-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 306671335 345533278 /nfs/dbraw/zinc/53/32/78/345533278.db2.gz YPFOSFLZUKBBLT-YTWAJWBKSA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 306671335 345533280 /nfs/dbraw/zinc/53/32/80/345533280.db2.gz YPFOSFLZUKBBLT-YTWAJWBKSA-N 1 3 180.295 1.079 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H]1CCNC1(C)C 306673506 345534803 /nfs/dbraw/zinc/53/48/03/345534803.db2.gz NXOKWBHLEVRTKH-NXEZZACHSA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCNC1(C)C 306673508 345535001 /nfs/dbraw/zinc/53/50/01/345535001.db2.gz NXOKWBHLEVRTKH-VHSXEESVSA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CCNC1(C)C 306673507 345535106 /nfs/dbraw/zinc/53/51/06/345535106.db2.gz NXOKWBHLEVRTKH-UWVGGRQHSA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@H]1CCNC1(C)C 306673509 345535203 /nfs/dbraw/zinc/53/52/03/345535203.db2.gz NXOKWBHLEVRTKH-ZJUUUORDSA-N 1 3 184.327 1.761 10 0 ADAEHO CNCC[N@@H+]1C[C@H]2CCCC[C@H]2C1 306675944 345538298 /nfs/dbraw/zinc/53/82/98/345538298.db2.gz UVLLNRTWGDFPMT-PHIMTYICSA-N 1 3 182.311 1.328 10 0 ADAEHO CNCC[N@H+]1C[C@H]2CCCC[C@H]2C1 306675944 345538299 /nfs/dbraw/zinc/53/82/99/345538299.db2.gz UVLLNRTWGDFPMT-PHIMTYICSA-N 1 3 182.311 1.328 10 0 ADAEHO N[C@H]1CCC[C@@]12CC[N@H+](CC1CC1)C2 306677129 345538997 /nfs/dbraw/zinc/53/89/97/345538997.db2.gz YGUQQTUYSAUEEV-RYUDHWBXSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@H]1CCC[C@@]12CC[N@@H+](CC1CC1)C2 306677129 345539001 /nfs/dbraw/zinc/53/90/01/345539001.db2.gz YGUQQTUYSAUEEV-RYUDHWBXSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@H]1CCC[C@]12CC[N@H+](CC1CC1)C2 306677128 345539239 /nfs/dbraw/zinc/53/92/39/345539239.db2.gz YGUQQTUYSAUEEV-NWDGAFQWSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@@H]1CCC[C@]12CC[N@H+](CC1CC1)C2 306677130 345539285 /nfs/dbraw/zinc/53/92/85/345539285.db2.gz YGUQQTUYSAUEEV-VXGBXAGGSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@@H]1CCC[C@]12CC[N@@H+](CC1CC1)C2 306677130 345539287 /nfs/dbraw/zinc/53/92/87/345539287.db2.gz YGUQQTUYSAUEEV-VXGBXAGGSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@@H]1CCC[C@@]12CC[N@H+](CC1CC1)C2 306677127 345539357 /nfs/dbraw/zinc/53/93/57/345539357.db2.gz YGUQQTUYSAUEEV-NEPJUHHUSA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@@H]1CCC[C@@]12CC[N@@H+](CC1CC1)C2 306677127 345539359 /nfs/dbraw/zinc/53/93/59/345539359.db2.gz YGUQQTUYSAUEEV-NEPJUHHUSA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)C(C)(C)C 306679939 345541439 /nfs/dbraw/zinc/54/14/39/345541439.db2.gz JGACQTRULDSFTL-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNC[C@@H](C[N@H+](C)C(C)(C)C)C1 306679602 345541609 /nfs/dbraw/zinc/54/16/09/345541609.db2.gz IRYBGLWIUFOGOG-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CNC[C@@H](C[N@@H+](C)C(C)(C)C)C1 306679602 345541612 /nfs/dbraw/zinc/54/16/12/345541612.db2.gz IRYBGLWIUFOGOG-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)C(C)(C)C 306679940 345541621 /nfs/dbraw/zinc/54/16/21/345541621.db2.gz JGACQTRULDSFTL-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)C(C)(C)C 306679942 345541633 /nfs/dbraw/zinc/54/16/33/345541633.db2.gz JGACQTRULDSFTL-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNC[C@H](C[N@H+](C)C(C)(C)C)C1 306679603 345541706 /nfs/dbraw/zinc/54/17/06/345541706.db2.gz IRYBGLWIUFOGOG-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CNC[C@H](C[N@@H+](C)C(C)(C)C)C1 306679603 345541708 /nfs/dbraw/zinc/54/17/08/345541708.db2.gz IRYBGLWIUFOGOG-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CNC[C@H](C[N@H+](C)C(C)(C)C)C1 306679600 345541767 /nfs/dbraw/zinc/54/17/67/345541767.db2.gz IRYBGLWIUFOGOG-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CNC[C@H](C[N@@H+](C)C(C)(C)C)C1 306679600 345541772 /nfs/dbraw/zinc/54/17/72/345541772.db2.gz IRYBGLWIUFOGOG-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CNC[C@@H](C[N@H+](C)C(C)(C)C)C1 306679601 345541831 /nfs/dbraw/zinc/54/18/31/345541831.db2.gz IRYBGLWIUFOGOG-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1CNC[C@@H](C[N@@H+](C)C(C)(C)C)C1 306679601 345541834 /nfs/dbraw/zinc/54/18/34/345541834.db2.gz IRYBGLWIUFOGOG-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1[NH2+]CCC[C@@H]1CN(C)C1CC1 306683520 345545049 /nfs/dbraw/zinc/54/50/49/345545049.db2.gz WCIKUNFOYWOWFT-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1CN(C)C1CC1 306683521 345545070 /nfs/dbraw/zinc/54/50/70/345545070.db2.gz WCIKUNFOYWOWFT-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[NH2+]CCC[C@H]1CN(C)C1CC1 306683523 345545130 /nfs/dbraw/zinc/54/51/30/345545130.db2.gz WCIKUNFOYWOWFT-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1CN(C)C1CC1 306683522 345545300 /nfs/dbraw/zinc/54/53/00/345545300.db2.gz WCIKUNFOYWOWFT-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO NC1CC([N@@H+]2C[C@H]3CCCC[C@H]3C2)C1 306684155 345545601 /nfs/dbraw/zinc/54/56/01/345545601.db2.gz YTCLITZAEVPDTA-ZYANWLCNSA-N 1 3 194.322 1.598 10 0 ADAEHO NC1CC([N@H+]2C[C@H]3CCCC[C@H]3C2)C1 306684155 345545603 /nfs/dbraw/zinc/54/56/03/345545603.db2.gz YTCLITZAEVPDTA-ZYANWLCNSA-N 1 3 194.322 1.598 10 0 ADAEHO CC1=CCC[N@H+](CC2(C)CNC2)C1 306690696 345549433 /nfs/dbraw/zinc/54/94/33/345549433.db2.gz PODAOWGVUHBYIW-UHFFFAOYSA-N 1 3 180.295 1.248 10 0 ADAEHO CC1=CCC[N@@H+](CC2(C)CNC2)C1 306690696 345549435 /nfs/dbraw/zinc/54/94/35/345549435.db2.gz PODAOWGVUHBYIW-UHFFFAOYSA-N 1 3 180.295 1.248 10 0 ADAEHO C[C@H]1CCC[N@H+](CC2(C)CNC2)C1 306695253 345552221 /nfs/dbraw/zinc/55/22/21/345552221.db2.gz VVTHJORGUHDMLM-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCC[N@@H+](CC2(C)CNC2)C1 306695253 345552222 /nfs/dbraw/zinc/55/22/22/345552222.db2.gz VVTHJORGUHDMLM-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCCN(CC2(C)C[NH2+]C2)C1 306695253 345552224 /nfs/dbraw/zinc/55/22/24/345552224.db2.gz VVTHJORGUHDMLM-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCC[N@H+](CC2(C)CNC2)C1 306695254 345552235 /nfs/dbraw/zinc/55/22/35/345552235.db2.gz VVTHJORGUHDMLM-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCCN(CC2(C)C[NH2+]C2)C1 306695254 345552239 /nfs/dbraw/zinc/55/22/39/345552239.db2.gz VVTHJORGUHDMLM-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO Cc1cc(-n2cc(C[NH3+])cn2)ccn1 306702942 345557062 /nfs/dbraw/zinc/55/70/62/345557062.db2.gz IGXYXVSPCTVREH-UHFFFAOYSA-N 1 3 188.234 1.034 10 0 ADAEHO NC[C@@]12CCC[C@H]1C[N@@H+](C1CC1)C2 306704451 345557862 /nfs/dbraw/zinc/55/78/62/345557862.db2.gz BXZKABSMDWIXDV-GXSJLCMTSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@]12CCC[C@H]1C[N@H+](C1CC1)C2 306704451 345557865 /nfs/dbraw/zinc/55/78/65/345557865.db2.gz BXZKABSMDWIXDV-GXSJLCMTSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@]12CCC[C@@H]1C[N@@H+](C1CC1)C2 306704453 345557919 /nfs/dbraw/zinc/55/79/19/345557919.db2.gz BXZKABSMDWIXDV-MWLCHTKSSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@]12CCC[C@@H]1C[N@H+](C1CC1)C2 306704453 345557923 /nfs/dbraw/zinc/55/79/23/345557923.db2.gz BXZKABSMDWIXDV-MWLCHTKSSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@]12CCC[C@@H]1C[N@@H+](C1CC1)C2 306704452 345557933 /nfs/dbraw/zinc/55/79/33/345557933.db2.gz BXZKABSMDWIXDV-KOLCDFICSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@]12CCC[C@@H]1C[N@H+](C1CC1)C2 306704452 345557934 /nfs/dbraw/zinc/55/79/34/345557934.db2.gz BXZKABSMDWIXDV-KOLCDFICSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@]12CCC[C@H]1C[N@@H+](C1CC1)C2 306704454 345558100 /nfs/dbraw/zinc/55/81/00/345558100.db2.gz BXZKABSMDWIXDV-ONGXEEELSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@]12CCC[C@H]1C[N@H+](C1CC1)C2 306704454 345558102 /nfs/dbraw/zinc/55/81/02/345558102.db2.gz BXZKABSMDWIXDV-ONGXEEELSA-N 1 3 180.295 1.210 10 0 ADAEHO C[C@H]([NH3+])C(C)(C)CN1CCC1 306705354 345559020 /nfs/dbraw/zinc/55/90/20/345559020.db2.gz HYPIELWVJMZFHU-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]([NH3+])C(C)(C)CN1CCC1 306705352 345559139 /nfs/dbraw/zinc/55/91/39/345559139.db2.gz HYPIELWVJMZFHU-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO [NH3+][C@H]1CCCC[C@@H]1CN1CC=CC1 306708829 345562355 /nfs/dbraw/zinc/56/23/55/345562355.db2.gz PDQBWSBCWQXCJI-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+][C@@H]1CCCC[C@@H]1CN1CC=CC1 306708826 345562459 /nfs/dbraw/zinc/56/24/59/345562459.db2.gz PDQBWSBCWQXCJI-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO [NH3+][C@H]1CCCC[C@H]1CN1CC=CC1 306708831 345562473 /nfs/dbraw/zinc/56/24/73/345562473.db2.gz PDQBWSBCWQXCJI-QWRGUYRKSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@H]1C[C@@H](N2C[C@@H](C)[C@@H]([NH3+])C2)[C@H]1C 306716012 345568235 /nfs/dbraw/zinc/56/82/35/345568235.db2.gz SYQQUORGAWZVII-HPENLJRUSA-N 1 3 182.311 1.310 10 0 ADAEHO C[C@H]1C[C@@H](N2C[C@@H]([NH3+])[C@H](C)C2)[C@H]1C 306716014 345568223 /nfs/dbraw/zinc/56/82/23/345568223.db2.gz SYQQUORGAWZVII-OGBGREFGSA-N 1 3 182.311 1.310 10 0 ADAEHO C[C@H]1C[C@@H](N2C[C@@H](C)[C@@H]([NH3+])C2)[C@@H]1C 306716015 345568418 /nfs/dbraw/zinc/56/84/18/345568418.db2.gz SYQQUORGAWZVII-UNQZSWDGSA-N 1 3 182.311 1.310 10 0 ADAEHO C[C@H]1C[C@@H](N2C[C@@H]([NH3+])[C@H](C)C2)[C@@H]1C 306716016 345568433 /nfs/dbraw/zinc/56/84/33/345568433.db2.gz SYQQUORGAWZVII-VPJKUYQRSA-N 1 3 182.311 1.310 10 0 ADAEHO [NH3+][C@H]1CCC[C@H](N2CC=CC2)C1 306716555 345568602 /nfs/dbraw/zinc/56/86/02/345568602.db2.gz FYVVTPGSBLFMPE-UWVGGRQHSA-N 1 3 166.268 1.128 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H](N2CC=CC2)C1 306716557 345568692 /nfs/dbraw/zinc/56/86/92/345568692.db2.gz FYVVTPGSBLFMPE-VHSXEESVSA-N 1 3 166.268 1.128 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N2CC=CC2)C1 306716554 345568744 /nfs/dbraw/zinc/56/87/44/345568744.db2.gz FYVVTPGSBLFMPE-NXEZZACHSA-N 1 3 166.268 1.128 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N2CC=CC2)C1 306716559 345568924 /nfs/dbraw/zinc/56/89/24/345568924.db2.gz FYVVTPGSBLFMPE-ZJUUUORDSA-N 1 3 166.268 1.128 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CC1(C)C 306720633 345571957 /nfs/dbraw/zinc/57/19/57/345571957.db2.gz HIEVNEUSLNGMHW-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CC1(C)C 306720633 345571960 /nfs/dbraw/zinc/57/19/60/345571960.db2.gz HIEVNEUSLNGMHW-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC1(C)C 306720635 345572122 /nfs/dbraw/zinc/57/21/22/345572122.db2.gz HIEVNEUSLNGMHW-UTLUCORTSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC1(C)C 306720635 345572124 /nfs/dbraw/zinc/57/21/24/345572124.db2.gz HIEVNEUSLNGMHW-UTLUCORTSA-N 1 3 182.311 1.373 10 0 ADAEHO NC1CC([N@@H+]2CC[C@@H](C3CC3)C2)C1 306722416 345573261 /nfs/dbraw/zinc/57/32/61/345573261.db2.gz ITWDOEIWMFGRPH-KPPDAEKUSA-N 1 3 180.295 1.208 10 0 ADAEHO NC1CC([N@H+]2CC[C@@H](C3CC3)C2)C1 306722416 345573265 /nfs/dbraw/zinc/57/32/65/345573265.db2.gz ITWDOEIWMFGRPH-KPPDAEKUSA-N 1 3 180.295 1.208 10 0 ADAEHO NC1CC([N@@H+]2CC[C@H](C3CC3)C2)C1 306722419 345573470 /nfs/dbraw/zinc/57/34/70/345573470.db2.gz ITWDOEIWMFGRPH-WHXUTIOJSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 306723565 345573752 /nfs/dbraw/zinc/57/37/52/345573752.db2.gz HGWHGJPIAGENQB-QWRGUYRKSA-N 1 3 194.322 1.328 10 0 ADAEHO CC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 306723564 345573935 /nfs/dbraw/zinc/57/39/35/345573935.db2.gz HGWHGJPIAGENQB-GHMZBOCLSA-N 1 3 194.322 1.328 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CCC[NH2+]CCC1 306725143 345575292 /nfs/dbraw/zinc/57/52/92/345575292.db2.gz WKEWBPMZOMQXHZ-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH+]1CCCNCCC1 306725142 345575082 /nfs/dbraw/zinc/57/50/82/345575082.db2.gz WKEWBPMZOMQXHZ-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@H]1N1CCC[NH2+]CCC1 306725142 345575086 /nfs/dbraw/zinc/57/50/86/345575086.db2.gz WKEWBPMZOMQXHZ-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH+]1CCCNCCC1 306725144 345575270 /nfs/dbraw/zinc/57/52/70/345575270.db2.gz WKEWBPMZOMQXHZ-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@@H]1N1CCC[NH2+]CCC1 306725144 345575272 /nfs/dbraw/zinc/57/52/72/345575272.db2.gz WKEWBPMZOMQXHZ-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH+]1CCCNCCC1 306725143 345575290 /nfs/dbraw/zinc/57/52/90/345575290.db2.gz WKEWBPMZOMQXHZ-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@H]1[NH+]1CCCNCCC1 306725145 345575349 /nfs/dbraw/zinc/57/53/49/345575349.db2.gz WKEWBPMZOMQXHZ-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[C@H]1N1CCC[NH2+]CCC1 306725145 345575352 /nfs/dbraw/zinc/57/53/52/345575352.db2.gz WKEWBPMZOMQXHZ-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)[C@@H]1C 306729904 345579222 /nfs/dbraw/zinc/57/92/22/345579222.db2.gz KVKKOBYWIRHCOJ-OOCWMUITSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)[C@@H]1C 306729906 345579333 /nfs/dbraw/zinc/57/93/33/345579333.db2.gz KVKKOBYWIRHCOJ-ZIQFBCGOSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@H]1C 306729903 345579354 /nfs/dbraw/zinc/57/93/54/345579354.db2.gz KVKKOBYWIRHCOJ-IIRVCBMXSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H]1C 306729905 345579370 /nfs/dbraw/zinc/57/93/70/345579370.db2.gz KVKKOBYWIRHCOJ-ROHXPCBUSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H](C[NH3+])N1CCC2(CCCC2)C1 306734269 345581876 /nfs/dbraw/zinc/58/18/76/345581876.db2.gz UODWTSDFQZIRAM-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H](C[NH3+])N1CCC2(CCCC2)C1 306734268 345581908 /nfs/dbraw/zinc/58/19/08/345581908.db2.gz UODWTSDFQZIRAM-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO N[C@H](CC[NH3+])c1ccc2[nH]ccc2c1 306736418 345583869 /nfs/dbraw/zinc/58/38/69/345583869.db2.gz QGALFAPGHGZVQC-SNVBAGLBSA-N 1 3 189.262 1.517 10 0 ADAEHO CN1CC(CNc2cc[nH+]cc2)C1 306739747 345585638 /nfs/dbraw/zinc/58/56/38/345585638.db2.gz BDVVFLZANRBCIU-UHFFFAOYSA-N 1 3 177.251 1.055 10 0 ADAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CC=CC1 306747876 345589637 /nfs/dbraw/zinc/58/96/37/345589637.db2.gz GFUAHOCPDWKINZ-GXSJLCMTSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CC=CC1 306747882 345589714 /nfs/dbraw/zinc/58/97/14/345589714.db2.gz GFUAHOCPDWKINZ-KOLCDFICSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CC=CC1 306747887 345589773 /nfs/dbraw/zinc/58/97/73/345589773.db2.gz GFUAHOCPDWKINZ-MWLCHTKSSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CC=CC1 306747896 345589887 /nfs/dbraw/zinc/58/98/87/345589887.db2.gz GFUAHOCPDWKINZ-ONGXEEELSA-N 1 3 180.295 1.293 10 0 ADAEHO N[C@@H]1CC[C@H]2C[N@@H+](C3CCC3)C[C@@H]12 306749611 345590750 /nfs/dbraw/zinc/59/07/50/345590750.db2.gz LWMKVYRKKWTIRF-JMJZKYOTSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@H]2C[N@H+](C3CCC3)C[C@@H]12 306749611 345590752 /nfs/dbraw/zinc/59/07/52/345590752.db2.gz LWMKVYRKKWTIRF-JMJZKYOTSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@@H]2C[N@@H+](C3CCC3)C[C@@H]21 306749608 345590877 /nfs/dbraw/zinc/59/08/77/345590877.db2.gz LWMKVYRKKWTIRF-DVVUODLYSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@@H]2C[N@H+](C3CCC3)C[C@@H]21 306749608 345590880 /nfs/dbraw/zinc/59/08/80/345590880.db2.gz LWMKVYRKKWTIRF-DVVUODLYSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@@H]2C[N@@H+](C3CCC3)C[C@H]21 306749609 345590888 /nfs/dbraw/zinc/59/08/88/345590888.db2.gz LWMKVYRKKWTIRF-FBIMIBRVSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@@H]2C[N@H+](C3CCC3)C[C@H]21 306749609 345590891 /nfs/dbraw/zinc/59/08/91/345590891.db2.gz LWMKVYRKKWTIRF-FBIMIBRVSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@H]2C[N@@H+](C3CCC3)C[C@H]12 306749610 345590910 /nfs/dbraw/zinc/59/09/10/345590910.db2.gz LWMKVYRKKWTIRF-INTQDDNPSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@H]2C[N@H+](C3CCC3)C[C@H]12 306749610 345590914 /nfs/dbraw/zinc/59/09/14/345590914.db2.gz LWMKVYRKKWTIRF-INTQDDNPSA-N 1 3 180.295 1.208 10 0 ADAEHO CC(C)N(C)C[C@H]1CCC[NH2+][C@H]1C 306762336 345597793 /nfs/dbraw/zinc/59/77/93/345597793.db2.gz GYIHHOYVVLEUNU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+](C)C[C@H]1CCCN[C@H]1C 306762336 345597795 /nfs/dbraw/zinc/59/77/95/345597795.db2.gz GYIHHOYVVLEUNU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@@H+](C)C[C@H]1CCCN[C@H]1C 306762336 345597796 /nfs/dbraw/zinc/59/77/96/345597796.db2.gz GYIHHOYVVLEUNU-WDEREUQCSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)N(C)C[C@@H]1CCC[NH2+][C@H]1C 306762334 345597804 /nfs/dbraw/zinc/59/78/04/345597804.db2.gz GYIHHOYVVLEUNU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+](C)C[C@@H]1CCCN[C@H]1C 306762334 345597806 /nfs/dbraw/zinc/59/78/06/345597806.db2.gz GYIHHOYVVLEUNU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@H]1CCCN[C@H]1C 306762334 345597807 /nfs/dbraw/zinc/59/78/07/345597807.db2.gz GYIHHOYVVLEUNU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)N(C)C[C@@H]1CCC[NH2+][C@@H]1C 306762333 345597852 /nfs/dbraw/zinc/59/78/52/345597852.db2.gz GYIHHOYVVLEUNU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+](C)C[C@@H]1CCCN[C@@H]1C 306762333 345597853 /nfs/dbraw/zinc/59/78/53/345597853.db2.gz GYIHHOYVVLEUNU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@@H+](C)C[C@@H]1CCCN[C@@H]1C 306762333 345597855 /nfs/dbraw/zinc/59/78/55/345597855.db2.gz GYIHHOYVVLEUNU-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC1=C(C)C[N@H+](CC2CNC2)CC1 306762278 345597873 /nfs/dbraw/zinc/59/78/73/345597873.db2.gz DRJRLGHQUQEXSS-UHFFFAOYSA-N 1 3 180.295 1.248 10 0 ADAEHO CC1=C(C)C[N@@H+](CC2CNC2)CC1 306762278 345597876 /nfs/dbraw/zinc/59/78/76/345597876.db2.gz DRJRLGHQUQEXSS-UHFFFAOYSA-N 1 3 180.295 1.248 10 0 ADAEHO CC(C)N(C)C[C@H]1CCC[NH2+][C@@H]1C 306762331 345598173 /nfs/dbraw/zinc/59/81/73/345598173.db2.gz GYIHHOYVVLEUNU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@H+](C)C[C@H]1CCCN[C@@H]1C 306762331 345598176 /nfs/dbraw/zinc/59/81/76/345598176.db2.gz GYIHHOYVVLEUNU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)[N@@H+](C)C[C@H]1CCCN[C@@H]1C 306762331 345598179 /nfs/dbraw/zinc/59/81/79/345598179.db2.gz GYIHHOYVVLEUNU-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CN(C2CC(C)(C)C2)C[C@@H]1[NH3+] 306765940 345600415 /nfs/dbraw/zinc/60/04/15/345600415.db2.gz AHCPQYFPUMJZIO-WPRPVWTQSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CN(C2CC(C)(C)C2)C[C@H]1[NH3+] 306765937 345600456 /nfs/dbraw/zinc/60/04/56/345600456.db2.gz AHCPQYFPUMJZIO-WCBMZHEXSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN(C2CC(C)(C)C2)C[C@H]1[NH3+] 306765932 345600614 /nfs/dbraw/zinc/60/06/14/345600614.db2.gz AHCPQYFPUMJZIO-PSASIEDQSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN(C2CC(C)(C)C2)C[C@@H]1[NH3+] 306765935 345600728 /nfs/dbraw/zinc/60/07/28/345600728.db2.gz AHCPQYFPUMJZIO-SCZZXKLOSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1(C)CN([C@H]2CC[C@H]([NH3+])C2)C1 306766453 345601141 /nfs/dbraw/zinc/60/11/41/345601141.db2.gz ODXSSPRTKRFDAV-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(C)CN([C@@H]2CC[C@@H]([NH3+])C2)C1 306766446 345601149 /nfs/dbraw/zinc/60/11/49/345601149.db2.gz ODXSSPRTKRFDAV-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(C)CN([C@H]2CC[C@@H]([NH3+])C2)C1 306766467 345601443 /nfs/dbraw/zinc/60/14/43/345601443.db2.gz ODXSSPRTKRFDAV-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1(C)CN([C@@H]2CC[C@H]([NH3+])C2)C1 306766460 345601450 /nfs/dbraw/zinc/60/14/50/345601450.db2.gz ODXSSPRTKRFDAV-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1CN([C@@H]2CCC[C@@H]([NH3+])C2)C1 306767455 345601621 /nfs/dbraw/zinc/60/16/21/345601621.db2.gz OYOXUJSQOJRRCL-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1CN([C@H]2CCC[C@H]([NH3+])C2)C1 306767457 345601666 /nfs/dbraw/zinc/60/16/66/345601666.db2.gz OYOXUJSQOJRRCL-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1CN([C@H]2CCC[C@@H]([NH3+])C2)C1 306767456 345601776 /nfs/dbraw/zinc/60/17/76/345601776.db2.gz OYOXUJSQOJRRCL-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CCC1CN([C@@H]2CCC[C@H]([NH3+])C2)C1 306767458 345601953 /nfs/dbraw/zinc/60/19/53/345601953.db2.gz OYOXUJSQOJRRCL-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1[NH2+]CCC[C@H]1NC1CC=CC1 306768889 345602815 /nfs/dbraw/zinc/60/28/15/345602815.db2.gz FCERGMFDMNWULU-MWLCHTKSSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CC=CC1 306768890 345602923 /nfs/dbraw/zinc/60/29/23/345602923.db2.gz FCERGMFDMNWULU-ONGXEEELSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1NC1CC=CC1 306768887 345602936 /nfs/dbraw/zinc/60/29/36/345602936.db2.gz FCERGMFDMNWULU-GXSJLCMTSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@H]1[NH2+]CCC[C@@H]1NC1CC=CC1 306768888 345603018 /nfs/dbraw/zinc/60/30/18/345603018.db2.gz FCERGMFDMNWULU-KOLCDFICSA-N 1 3 180.295 1.435 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1N1CCC2(CC2)C1 306773439 345605529 /nfs/dbraw/zinc/60/55/29/345605529.db2.gz ITUILGSDWNOTGR-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1N1CCC2(CC2)C1 306773441 345605676 /nfs/dbraw/zinc/60/56/76/345605676.db2.gz ITUILGSDWNOTGR-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1N1CCC2(CC2)C1 306773437 345605704 /nfs/dbraw/zinc/60/57/04/345605704.db2.gz ITUILGSDWNOTGR-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1N1CCC2(CC2)C1 306773442 345605870 /nfs/dbraw/zinc/60/58/70/345605870.db2.gz ITUILGSDWNOTGR-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO C[C@@H]([NH3+])CNC1CC(C)(C)C1 306774963 345606141 /nfs/dbraw/zinc/60/61/41/345606141.db2.gz WHYNEAYACPFGJR-SSDOTTSWSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH3+])CNC1CC(C)(C)C1 306774964 345606241 /nfs/dbraw/zinc/60/62/41/345606241.db2.gz WHYNEAYACPFGJR-ZETCQYMHSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N1CC[C@H]1C 306776592 345607243 /nfs/dbraw/zinc/60/72/43/345607243.db2.gz ZGMGWPWKJZLFIM-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CC[C@H]1C 306776592 345607247 /nfs/dbraw/zinc/60/72/47/345607247.db2.gz ZGMGWPWKJZLFIM-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CC[C@H]1C 306776592 345607248 /nfs/dbraw/zinc/60/72/48/345607248.db2.gz ZGMGWPWKJZLFIM-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCN1[C@@H]1CC[NH2+]C[C@H]1C 306776593 345607277 /nfs/dbraw/zinc/60/72/77/345607277.db2.gz ZGMGWPWKJZLFIM-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H]1CCNC[C@H]1C 306776593 345607280 /nfs/dbraw/zinc/60/72/80/345607280.db2.gz ZGMGWPWKJZLFIM-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H]1CCNC[C@H]1C 306776593 345607283 /nfs/dbraw/zinc/60/72/83/345607283.db2.gz ZGMGWPWKJZLFIM-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCN1[C@H]1CC[NH2+]C[C@H]1C 306776595 345607356 /nfs/dbraw/zinc/60/73/56/345607356.db2.gz ZGMGWPWKJZLFIM-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@H]1CCNC[C@H]1C 306776595 345607360 /nfs/dbraw/zinc/60/73/60/345607360.db2.gz ZGMGWPWKJZLFIM-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@H]1CCNC[C@H]1C 306776595 345607362 /nfs/dbraw/zinc/60/73/62/345607362.db2.gz ZGMGWPWKJZLFIM-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N1CC[C@H]1C 306776594 345607437 /nfs/dbraw/zinc/60/74/37/345607437.db2.gz ZGMGWPWKJZLFIM-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CC[C@H]1C 306776594 345607438 /nfs/dbraw/zinc/60/74/38/345607438.db2.gz ZGMGWPWKJZLFIM-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CC[C@H]1C 306776594 345607439 /nfs/dbraw/zinc/60/74/39/345607439.db2.gz ZGMGWPWKJZLFIM-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H](N)C[N@H+](C)[C@@H]1C=CCCC1 306778050 345608437 /nfs/dbraw/zinc/60/84/37/345608437.db2.gz PKRHZJNSHCKODH-VHSXEESVSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@H](N)C[N@H+](C)[C@H]1C=CCCC1 306778049 345608149 /nfs/dbraw/zinc/60/81/49/345608149.db2.gz PKRHZJNSHCKODH-UWVGGRQHSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@H](N)C[N@@H+](C)[C@H]1C=CCCC1 306778049 345608150 /nfs/dbraw/zinc/60/81/50/345608150.db2.gz PKRHZJNSHCKODH-UWVGGRQHSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@@H](N)C[N@H+](C)[C@@H]1C=CCCC1 306778048 345608416 /nfs/dbraw/zinc/60/84/16/345608416.db2.gz PKRHZJNSHCKODH-NXEZZACHSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@@H](N)C[N@@H+](C)[C@@H]1C=CCCC1 306778048 345608420 /nfs/dbraw/zinc/60/84/20/345608420.db2.gz PKRHZJNSHCKODH-NXEZZACHSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@H](N)C[N@@H+](C)[C@@H]1C=CCCC1 306778050 345608441 /nfs/dbraw/zinc/60/84/41/345608441.db2.gz PKRHZJNSHCKODH-VHSXEESVSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@@H](N)C[N@H+](C)[C@H]1C=CCCC1 306778051 345608499 /nfs/dbraw/zinc/60/84/99/345608499.db2.gz PKRHZJNSHCKODH-ZJUUUORDSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@@H](N)C[N@@H+](C)[C@H]1C=CCCC1 306778051 345608503 /nfs/dbraw/zinc/60/85/03/345608503.db2.gz PKRHZJNSHCKODH-ZJUUUORDSA-N 1 3 168.284 1.374 10 0 ADAEHO [NH3+]C1CCN(CC2=CCCC2)CC1 306781575 345610431 /nfs/dbraw/zinc/61/04/31/345610431.db2.gz FHPKQKKZLQYRHN-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO CC1=C(C)CN(CC[C@@H](C)[NH3+])CC1 306787079 345614054 /nfs/dbraw/zinc/61/40/54/345614054.db2.gz PUJKFOBRPWEGJI-LLVKDONJSA-N 1 3 182.311 1.766 10 0 ADAEHO CC1=C(C)CN(CC[C@H](C)[NH3+])CC1 306787080 345614163 /nfs/dbraw/zinc/61/41/63/345614163.db2.gz PUJKFOBRPWEGJI-NSHDSACASA-N 1 3 182.311 1.766 10 0 ADAEHO CC1(C)CC([NH2+]C2CC(N)C2)C1 306787424 345614189 /nfs/dbraw/zinc/61/41/89/345614189.db2.gz QJDCXOSYWYUCJA-UHFFFAOYSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)CC(NC2CC([NH3+])C2)C1 306787424 345614191 /nfs/dbraw/zinc/61/41/91/345614191.db2.gz QJDCXOSYWYUCJA-UHFFFAOYSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1=C(C)C[N@H+](CC(C)(C)N)CC1 306788197 345614876 /nfs/dbraw/zinc/61/48/76/345614876.db2.gz RLLHWRKQEPPWED-UHFFFAOYSA-N 1 3 182.311 1.766 10 0 ADAEHO CC1=C(C)C[N@@H+](CC(C)(C)N)CC1 306788197 345614878 /nfs/dbraw/zinc/61/48/78/345614878.db2.gz RLLHWRKQEPPWED-UHFFFAOYSA-N 1 3 182.311 1.766 10 0 ADAEHO CC1(C)CC(N2CCC([NH3+])CC2)C1 306792087 345618560 /nfs/dbraw/zinc/61/85/60/345618560.db2.gz ZXMYRVBCKSZJJU-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC([NH+]2CCC(N)CC2)C1 306792087 345618564 /nfs/dbraw/zinc/61/85/64/345618564.db2.gz ZXMYRVBCKSZJJU-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)Nc1ccncc1 306796577 345620934 /nfs/dbraw/zinc/62/09/34/345620934.db2.gz JQUFZJZTSBPRJZ-YUMQZZPRSA-N 1 3 165.240 1.229 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](C)Nc1ccncc1 306796574 345620947 /nfs/dbraw/zinc/62/09/47/345620947.db2.gz JQUFZJZTSBPRJZ-HTQZYQBOSA-N 1 3 165.240 1.229 10 0 ADAEHO C[C@H](Nc1ccncc1)[C@@H](C)[NH3+] 306796576 345620989 /nfs/dbraw/zinc/62/09/89/345620989.db2.gz JQUFZJZTSBPRJZ-SFYZADRCSA-N 1 3 165.240 1.229 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)Nc1ccncc1 306796575 345621021 /nfs/dbraw/zinc/62/10/21/345621021.db2.gz JQUFZJZTSBPRJZ-JGVFFNPUSA-N 1 3 165.240 1.229 10 0 ADAEHO CN(C1CC([NH3+])C1)[C@@H]1CC[C@H]2C[C@H]21 306801583 345623882 /nfs/dbraw/zinc/62/38/82/345623882.db2.gz RIRXXCPJGSHPEA-CCNJGILJSA-N 1 3 180.295 1.206 10 0 ADAEHO CN(C1CC([NH3+])C1)[C@@H]1CC[C@@H]2C[C@@H]21 306801584 345623902 /nfs/dbraw/zinc/62/39/02/345623902.db2.gz RIRXXCPJGSHPEA-CPVIWBHCSA-N 1 3 180.295 1.206 10 0 ADAEHO Cc1nc(N[C@]2(C)CC[NH2+]C2)[nH]c1C 306808291 345627867 /nfs/dbraw/zinc/62/78/67/345627867.db2.gz ONIJLIQBBPRZMM-SNVBAGLBSA-N 1 3 194.282 1.190 10 0 ADAEHO Cc1nc(N[C@@]2(C)CC[NH2+]C2)[nH]c1C 306808290 345627931 /nfs/dbraw/zinc/62/79/31/345627931.db2.gz ONIJLIQBBPRZMM-JTQLQIEISA-N 1 3 194.282 1.190 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 306812234 345630861 /nfs/dbraw/zinc/63/08/61/345630861.db2.gz YSRSBEHDMYMWJC-PZWNZHSQSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 306812234 345630863 /nfs/dbraw/zinc/63/08/63/345630863.db2.gz YSRSBEHDMYMWJC-PZWNZHSQSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)CC[C@@H]1N 306821896 345636725 /nfs/dbraw/zinc/63/67/25/345636725.db2.gz LWKAMGMJRGEZAM-LDMBFOFVSA-N 1 3 194.322 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)CC[C@H]1N 306821899 345636960 /nfs/dbraw/zinc/63/69/60/345636960.db2.gz LWKAMGMJRGEZAM-RMPHRYRLSA-N 1 3 194.322 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)CC[C@H]1N 306821899 345636965 /nfs/dbraw/zinc/63/69/65/345636965.db2.gz LWKAMGMJRGEZAM-RMPHRYRLSA-N 1 3 194.322 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2C)CC[C@H]1N 306829397 345643354 /nfs/dbraw/zinc/64/33/54/345643354.db2.gz JRUFIDPNPKECQT-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2C)CC[C@H]1N 306829397 345643357 /nfs/dbraw/zinc/64/33/57/345643357.db2.gz JRUFIDPNPKECQT-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@H]2C)CC[C@H]1[NH3+] 306829397 345643359 /nfs/dbraw/zinc/64/33/59/345643359.db2.gz JRUFIDPNPKECQT-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CC[C@H]1[N@@H+]1CC[C@H](N)[C@H](C)C1 306829399 345643367 /nfs/dbraw/zinc/64/33/67/345643367.db2.gz JRUFIDPNPKECQT-ZRUFSTJUSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CC[C@H]1[N@H+]1CC[C@H](N)[C@H](C)C1 306829399 345643369 /nfs/dbraw/zinc/64/33/69/345643369.db2.gz JRUFIDPNPKECQT-ZRUFSTJUSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CC[C@H]1N1CC[C@H]([NH3+])[C@H](C)C1 306829399 345643372 /nfs/dbraw/zinc/64/33/72/345643372.db2.gz JRUFIDPNPKECQT-ZRUFSTJUSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2C)CC[C@@H]1N 306829396 345643421 /nfs/dbraw/zinc/64/34/21/345643421.db2.gz JRUFIDPNPKECQT-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2C)CC[C@@H]1N 306829396 345643422 /nfs/dbraw/zinc/64/34/22/345643422.db2.gz JRUFIDPNPKECQT-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@H]2C)CC[C@@H]1[NH3+] 306829396 345643423 /nfs/dbraw/zinc/64/34/23/345643423.db2.gz JRUFIDPNPKECQT-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CC[C@H]1[N@@H+]1CC[C@@H](N)[C@H](C)C1 306829398 345643473 /nfs/dbraw/zinc/64/34/73/345643473.db2.gz JRUFIDPNPKECQT-LNFKQOIKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CC[C@H]1[N@H+]1CC[C@@H](N)[C@H](C)C1 306829398 345643474 /nfs/dbraw/zinc/64/34/74/345643474.db2.gz JRUFIDPNPKECQT-LNFKQOIKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CC[C@H]1N1CC[C@@H]([NH3+])[C@H](C)C1 306829398 345643476 /nfs/dbraw/zinc/64/34/76/345643476.db2.gz JRUFIDPNPKECQT-LNFKQOIKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 306835889 345647413 /nfs/dbraw/zinc/64/74/13/345647413.db2.gz TVJCELHNFLLAEO-DBIOUOCHSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 306835892 345647653 /nfs/dbraw/zinc/64/76/53/345647653.db2.gz TVJCELHNFLLAEO-ZNSHCXBVSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 306835891 345647727 /nfs/dbraw/zinc/64/77/27/345647727.db2.gz TVJCELHNFLLAEO-YTWAJWBKSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 306835890 345647816 /nfs/dbraw/zinc/64/78/16/345647816.db2.gz TVJCELHNFLLAEO-RCWTZXSCSA-N 1 3 182.311 1.644 10 0 ADAEHO CN[C@@H]1CC[N@@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306842820 345651644 /nfs/dbraw/zinc/65/16/44/345651644.db2.gz CIUUUBSWFLIDLV-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306842820 345651647 /nfs/dbraw/zinc/65/16/47/345651647.db2.gz CIUUUBSWFLIDLV-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@H]1CC[N@@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306842824 345651939 /nfs/dbraw/zinc/65/19/39/345651939.db2.gz CIUUUBSWFLIDLV-VLEAKVRGSA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@H]1CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306842824 345651942 /nfs/dbraw/zinc/65/19/42/345651942.db2.gz CIUUUBSWFLIDLV-VLEAKVRGSA-N 1 3 180.295 1.079 10 0 ADAEHO CC1CC(N(C)C2CC([NH3+])C2)C1 306843258 345652530 /nfs/dbraw/zinc/65/25/30/345652530.db2.gz GBYOEOVDSIBKSP-UHFFFAOYSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC([N@H+](C)C2CC(N)C2)C1 306843258 345652534 /nfs/dbraw/zinc/65/25/34/345652534.db2.gz GBYOEOVDSIBKSP-UHFFFAOYSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC([N@@H+](C)C2CC(N)C2)C1 306843258 345652535 /nfs/dbraw/zinc/65/25/35/345652535.db2.gz GBYOEOVDSIBKSP-UHFFFAOYSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1C[C@H](N(C)C2CC([NH3+])C2)[C@@H]1C 306844737 345652874 /nfs/dbraw/zinc/65/28/74/345652874.db2.gz HPSCYSBQJUVLPZ-BHJIFMEASA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[C@@H](N(C)C2CC([NH3+])C2)[C@@H]1C 306844739 345652899 /nfs/dbraw/zinc/65/28/99/345652899.db2.gz HPSCYSBQJUVLPZ-NBQXLRJMSA-N 1 3 182.311 1.452 10 0 ADAEHO N[C@@]1(C[NH3+])CCCC12CCCC2 306844607 345652956 /nfs/dbraw/zinc/65/29/56/345652956.db2.gz HNCZYVQUUXZRAM-SNVBAGLBSA-N 1 3 168.284 1.387 10 0 ADAEHO C[C@@H]1[C@@H](N(C)C2CC([NH3+])C2)C[C@H]1C 306844738 345653002 /nfs/dbraw/zinc/65/30/02/345653002.db2.gz HPSCYSBQJUVLPZ-JOUYRYFISA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1N(C)C1CC([NH3+])C1 306844740 345653089 /nfs/dbraw/zinc/65/30/89/345653089.db2.gz HPSCYSBQJUVLPZ-QNDJDPKUSA-N 1 3 182.311 1.452 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)C[C@@H](C)C1 306849005 345656252 /nfs/dbraw/zinc/65/62/52/345656252.db2.gz MJJLVONTBQHVRG-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)C[C@@H](C)C1 306849005 345656254 /nfs/dbraw/zinc/65/62/54/345656254.db2.gz MJJLVONTBQHVRG-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](C)C[C@@H](CN)C1 306849003 345656274 /nfs/dbraw/zinc/65/62/74/345656274.db2.gz MJJLVONTBQHVRG-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](C)C[C@@H](CN)C1 306849003 345656278 /nfs/dbraw/zinc/65/62/78/345656278.db2.gz MJJLVONTBQHVRG-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](C)C[C@H](CN)C1 306849002 345656358 /nfs/dbraw/zinc/65/63/58/345656358.db2.gz MJJLVONTBQHVRG-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@H+]1C[C@H](C)C[C@H](CN)C1 306849002 345656360 /nfs/dbraw/zinc/65/63/60/345656360.db2.gz MJJLVONTBQHVRG-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](C)C[C@H](CN)C1 306849004 345656397 /nfs/dbraw/zinc/65/63/97/345656397.db2.gz MJJLVONTBQHVRG-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](C)C[C@H](CN)C1 306849004 345656400 /nfs/dbraw/zinc/65/64/00/345656400.db2.gz MJJLVONTBQHVRG-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCCN1c1ccncc1 306852042 345657726 /nfs/dbraw/zinc/65/77/26/345657726.db2.gz RNUGVBHEKMENAR-MWLCHTKSSA-N 1 3 191.278 1.398 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@H]1N1CCCCC1 306862976 345665930 /nfs/dbraw/zinc/66/59/30/345665930.db2.gz HXKCQZYDNFYYGO-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@H]([NH3+])C[C@H]1N1CCCCC1 306862974 345665996 /nfs/dbraw/zinc/66/59/96/345665996.db2.gz HXKCQZYDNFYYGO-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@@H](N2CCCCC2)C[C@H]1[NH3+] 306862977 345666023 /nfs/dbraw/zinc/66/60/23/345666023.db2.gz HXKCQZYDNFYYGO-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@@H]1N1CCCCC1 306862975 345666049 /nfs/dbraw/zinc/66/60/49/345666049.db2.gz HXKCQZYDNFYYGO-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C1C[C@H](CN2C3CCC2CC3)C[NH2+]1 306863698 345666198 /nfs/dbraw/zinc/66/61/98/345666198.db2.gz JBHKUSWPBKOXLJ-WHXUTIOJSA-N 1 3 180.295 1.223 10 0 ADAEHO CC(C)(C[NH3+])N1CCC2(CC2)C1 306863126 345666219 /nfs/dbraw/zinc/66/62/19/345666219.db2.gz JKAPSZOQRJCREJ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO C1C[C@@H](CN2C3CCC2CC3)C[NH2+]1 306863697 345666430 /nfs/dbraw/zinc/66/64/30/345666430.db2.gz JBHKUSWPBKOXLJ-KPPDAEKUSA-N 1 3 180.295 1.223 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCN[C@@H]1C 306940323 345709592 /nfs/dbraw/zinc/70/95/92/345709592.db2.gz BRRRXHDWBOKLBP-YIZRAAEISA-N 1 3 156.273 1.125 10 0 ADAEHO [NH3+]CCN[C@@H]1CC12CCCCC2 306880775 345676767 /nfs/dbraw/zinc/67/67/67/345676767.db2.gz KXVUSPAABKIAPB-SECBINFHSA-N 1 3 168.284 1.258 10 0 ADAEHO [NH3+]CCN[C@H]1CC12CCCCC2 306880780 345676885 /nfs/dbraw/zinc/67/68/85/345676885.db2.gz KXVUSPAABKIAPB-VIFPVBQESA-N 1 3 168.284 1.258 10 0 ADAEHO CC1(C)CC[N@@H+](CC2(C)CNC2)C1 306880079 345676992 /nfs/dbraw/zinc/67/69/92/345676992.db2.gz FSCJNMVHCTXFBO-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CC[N@H+](CC2(C)CNC2)C1 306880079 345676995 /nfs/dbraw/zinc/67/69/95/345676995.db2.gz FSCJNMVHCTXFBO-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CCN(CC2(C)C[NH2+]C2)C1 306880079 345676998 /nfs/dbraw/zinc/67/69/98/345676998.db2.gz FSCJNMVHCTXFBO-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCNC1 306881030 345677524 /nfs/dbraw/zinc/67/75/24/345677524.db2.gz LMANHDROKNQVGU-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCNC1 306881029 345677604 /nfs/dbraw/zinc/67/76/04/345677604.db2.gz LMANHDROKNQVGU-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)CCC[C@H]1C[NH2+][C@@H]1CCNC1 306881032 345677776 /nfs/dbraw/zinc/67/77/76/345677776.db2.gz LMANHDROKNQVGU-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)CCC[C@H]1C[NH2+][C@H]1CCNC1 306881031 345677879 /nfs/dbraw/zinc/67/78/79/345677879.db2.gz LMANHDROKNQVGU-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)C[C@@H](N)CC[N@H+](CC2CC2)C1 306884436 345681113 /nfs/dbraw/zinc/68/11/13/345681113.db2.gz QIPKFCZWBNKMLA-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[C@@H](N)CC[N@@H+](CC2CC2)C1 306884436 345681115 /nfs/dbraw/zinc/68/11/15/345681115.db2.gz QIPKFCZWBNKMLA-NSHDSACASA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[C@H](N)CC[N@H+](CC2CC2)C1 306884435 345681343 /nfs/dbraw/zinc/68/13/43/345681343.db2.gz QIPKFCZWBNKMLA-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[C@H](N)CC[N@@H+](CC2CC2)C1 306884435 345681345 /nfs/dbraw/zinc/68/13/45/345681345.db2.gz QIPKFCZWBNKMLA-LLVKDONJSA-N 1 3 196.338 1.846 10 0 ADAEHO CCCN[C@H]1CC[C@@H](C)[NH2+]C1 306885221 345681659 /nfs/dbraw/zinc/68/16/59/345681659.db2.gz NINJNZULQJCXEG-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCN[C@@H]1CC[C@H](C)[NH2+]C1 306885222 345681795 /nfs/dbraw/zinc/68/17/95/345681795.db2.gz NINJNZULQJCXEG-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCN[C@@H]1CC[C@@H](C)[NH2+]C1 306885224 345682081 /nfs/dbraw/zinc/68/20/81/345682081.db2.gz NINJNZULQJCXEG-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCN[C@H]1CC[C@H](C)[NH2+]C1 306885223 345682106 /nfs/dbraw/zinc/68/21/06/345682106.db2.gz NINJNZULQJCXEG-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H]1CC[C@H](N2C[C@H]3C[C@H]3C2)C[NH2+]1 306885996 345682542 /nfs/dbraw/zinc/68/25/42/345682542.db2.gz OPNUCZPVRZRHJB-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CC[C@@H](N2C[C@H]3C[C@H]3C2)C[NH2+]1 306885993 345682640 /nfs/dbraw/zinc/68/26/40/345682640.db2.gz OPNUCZPVRZRHJB-CHWFTXMASA-N 1 3 180.295 1.079 10 0 ADAEHO CC1(CN2CC(C[NH3+])C2)CCC1 306887978 345684921 /nfs/dbraw/zinc/68/49/21/345684921.db2.gz VIHNUYJQEINNGQ-UHFFFAOYSA-N 1 3 168.284 1.067 10 0 ADAEHO Cc1cccc([C@H](N)CC[NH3+])c1C 306895387 345689155 /nfs/dbraw/zinc/68/91/55/345689155.db2.gz MRBKUOURUJSTKB-LLVKDONJSA-N 1 3 178.279 1.652 10 0 ADAEHO Cc1cc(C)cc([C@H](N)CC[NH3+])c1 306898844 345690654 /nfs/dbraw/zinc/69/06/54/345690654.db2.gz YGGVTWPZTDAKIA-LLVKDONJSA-N 1 3 178.279 1.652 10 0 ADAEHO C1CC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)CNC1 306899404 345690826 /nfs/dbraw/zinc/69/08/26/345690826.db2.gz JMTBUBUGNWICOC-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)CNC1 306899404 345690831 /nfs/dbraw/zinc/69/08/31/345690831.db2.gz JMTBUBUGNWICOC-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@@H](N2C[C@H]3C[C@H]3C2)C[NH2+]C1 306899404 345690835 /nfs/dbraw/zinc/69/08/35/345690835.db2.gz JMTBUBUGNWICOC-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO Cc1cc(C)cc([C@@H](N)CC[NH3+])c1 306898845 345690910 /nfs/dbraw/zinc/69/09/10/345690910.db2.gz YGGVTWPZTDAKIA-NSHDSACASA-N 1 3 178.279 1.652 10 0 ADAEHO C1CC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)CNC1 306899391 345690966 /nfs/dbraw/zinc/69/09/66/345690966.db2.gz JMTBUBUGNWICOC-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)CNC1 306899391 345690967 /nfs/dbraw/zinc/69/09/67/345690967.db2.gz JMTBUBUGNWICOC-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@H](N2C[C@H]3C[C@H]3C2)C[NH2+]C1 306899391 345690968 /nfs/dbraw/zinc/69/09/68/345690968.db2.gz JMTBUBUGNWICOC-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO CC[C@](N)(C[NH3+])[C@@H]1CC1(C)C 306900656 345691262 /nfs/dbraw/zinc/69/12/62/345691262.db2.gz FMYJSKPYVUJGNM-APPZFPTMSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@@](N)(C[NH3+])[C@@H]1CC1(C)C 306900662 345691365 /nfs/dbraw/zinc/69/13/65/345691365.db2.gz FMYJSKPYVUJGNM-VXNVDRBHSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@@](N)(C[NH3+])[C@H]1CC1(C)C 306900660 345691473 /nfs/dbraw/zinc/69/14/73/345691473.db2.gz FMYJSKPYVUJGNM-IONNQARKSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@@]1(C)CCN(C2CC([NH3+])C2)C1 306906968 345694148 /nfs/dbraw/zinc/69/41/48/345694148.db2.gz MYFQKOWTIWBWQK-ILDUYXDCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 306919563 345698384 /nfs/dbraw/zinc/69/83/84/345698384.db2.gz DSQVDVSGDAKSTL-BBBLOLIVSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 306919565 345698392 /nfs/dbraw/zinc/69/83/92/345698392.db2.gz DSQVDVSGDAKSTL-GUBZILKMSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](N)C1 306919567 345698423 /nfs/dbraw/zinc/69/84/23/345698423.db2.gz DSQVDVSGDAKSTL-UTLUCORTSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 306919561 345698468 /nfs/dbraw/zinc/69/84/68/345698468.db2.gz DSQVDVSGDAKSTL-AEJSXWLSSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC1CN([C@H]2CC[C@H]([NH3+])C2)C1 306930174 345704512 /nfs/dbraw/zinc/70/45/12/345704512.db2.gz BRNLDDPKMXGSNL-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC1CN([C@@H]2CC[C@H]([NH3+])C2)C1 306930175 345704584 /nfs/dbraw/zinc/70/45/84/345704584.db2.gz BRNLDDPKMXGSNL-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC1CN([C@@H]2CC[C@@H]([NH3+])C2)C1 306930173 345704677 /nfs/dbraw/zinc/70/46/77/345704677.db2.gz BRNLDDPKMXGSNL-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC1CN([C@H]2CC[C@@H]([NH3+])C2)C1 306930176 345704767 /nfs/dbraw/zinc/70/47/67/345704767.db2.gz BRNLDDPKMXGSNL-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCN[C@H]1C 306940320 345709518 /nfs/dbraw/zinc/70/95/18/345709518.db2.gz BRRRXHDWBOKLBP-CIUDSAMLSA-N 1 3 156.273 1.125 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCN[C@@H]1C 306940321 345709678 /nfs/dbraw/zinc/70/96/78/345709678.db2.gz BRRRXHDWBOKLBP-DJLDLDEBSA-N 1 3 156.273 1.125 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 306940322 345709684 /nfs/dbraw/zinc/70/96/84/345709684.db2.gz BRRRXHDWBOKLBP-XHNCKOQMSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1CC[C@@H]1N(C)C1CC([NH3+])C1 306945817 345711792 /nfs/dbraw/zinc/71/17/92/345711792.db2.gz LMPKPBBUHNBFKC-NFTFJBJSSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[C@H]1N(C)C1CC([NH3+])C1 306945818 345711833 /nfs/dbraw/zinc/71/18/33/345711833.db2.gz LMPKPBBUHNBFKC-SEZDTBSWSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[C@@H]1N(C)C1CC([NH3+])C1 306945819 345712079 /nfs/dbraw/zinc/71/20/79/345712079.db2.gz LMPKPBBUHNBFKC-WOOKNIGNSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1CC[C@H]1N(C)C1CC([NH3+])C1 306945816 345712229 /nfs/dbraw/zinc/71/22/29/345712229.db2.gz LMPKPBBUHNBFKC-AUXWQGHOSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1[C@@H]([NH+]2CCC(N)CC2)C[C@H]1C 306947464 345713002 /nfs/dbraw/zinc/71/30/02/345713002.db2.gz PREBWFGTGQACNN-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@@H](N2CCC([NH3+])CC2)C[C@H]1C 306947464 345713004 /nfs/dbraw/zinc/71/30/04/345713004.db2.gz PREBWFGTGQACNN-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@H]([NH+]2CCC(N)CC2)[C@@H]1C 306947462 345713037 /nfs/dbraw/zinc/71/30/37/345713037.db2.gz PREBWFGTGQACNN-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]([NH+]2CCC(N)CC2)[C@@H]1C 306947461 345713126 /nfs/dbraw/zinc/71/31/26/345713126.db2.gz PREBWFGTGQACNN-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](N2CCC([NH3+])CC2)[C@@H]1C 306947461 345713128 /nfs/dbraw/zinc/71/31/28/345713128.db2.gz PREBWFGTGQACNN-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1N1CCC([NH3+])CC1 306947463 345713428 /nfs/dbraw/zinc/71/34/28/345713428.db2.gz PREBWFGTGQACNN-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO [NH3+]CC1(N2C3CCC2CC3)CC1 306954670 345717115 /nfs/dbraw/zinc/71/71/15/345717115.db2.gz ORIFFIZOOHLONV-UHFFFAOYSA-N 1 3 166.268 1.105 10 0 ADAEHO C1C[C@H]2[C@H](C1)CN2C[C@@H]1CC[NH2+]C1 306956508 345717647 /nfs/dbraw/zinc/71/76/47/345717647.db2.gz RPNGZESLNOUXAR-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2CN(C[C@@H]3CC[NH2+]C3)[C@@H]2C1 306956506 345717726 /nfs/dbraw/zinc/71/77/26/345717726.db2.gz RPNGZESLNOUXAR-GMTAPVOTSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@@H]2CN(C[C@H]3CC[NH2+]C3)[C@@H]2C1 306956507 345717736 /nfs/dbraw/zinc/71/77/36/345717736.db2.gz RPNGZESLNOUXAR-HBNTYKKESA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2[C@H](C1)CN2C[C@H]1CC[NH2+]C1 306956505 345717793 /nfs/dbraw/zinc/71/77/93/345717793.db2.gz RPNGZESLNOUXAR-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO NC[C@@H]1CC[C@H]1[N@@H+]1CCC2(CC2)C1 306963876 345722215 /nfs/dbraw/zinc/72/22/15/345722215.db2.gz CYYSGPQUTCDQND-VHSXEESVSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1CC[C@H]1[N@H+]1CCC2(CC2)C1 306963876 345722217 /nfs/dbraw/zinc/72/22/17/345722217.db2.gz CYYSGPQUTCDQND-VHSXEESVSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1CCC2(CC2)C1 306963872 345722259 /nfs/dbraw/zinc/72/22/59/345722259.db2.gz CYYSGPQUTCDQND-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1CCC2(CC2)C1 306963872 345722261 /nfs/dbraw/zinc/72/22/61/345722261.db2.gz CYYSGPQUTCDQND-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@H]1CC[C@H]1[N@@H+]1CCC2(CC2)C1 306963867 345722345 /nfs/dbraw/zinc/72/23/45/345722345.db2.gz CYYSGPQUTCDQND-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@H]1CC[C@H]1[N@H+]1CCC2(CC2)C1 306963867 345722347 /nfs/dbraw/zinc/72/23/47/345722347.db2.gz CYYSGPQUTCDQND-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@H]1CC[C@@H]1[N@@H+]1CCC2(CC2)C1 306963880 345722433 /nfs/dbraw/zinc/72/24/33/345722433.db2.gz CYYSGPQUTCDQND-ZJUUUORDSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@H]1CC[C@@H]1[N@H+]1CCC2(CC2)C1 306963880 345722435 /nfs/dbraw/zinc/72/24/35/345722435.db2.gz CYYSGPQUTCDQND-ZJUUUORDSA-N 1 3 180.295 1.210 10 0 ADAEHO CC1(C[N@@H+]2CCC3(CC3)C2)CNC1 306966658 345723881 /nfs/dbraw/zinc/72/38/81/345723881.db2.gz LNHDBJXEMSJOLF-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO CC1(C[N@H+]2CCC3(CC3)C2)CNC1 306966658 345723883 /nfs/dbraw/zinc/72/38/83/345723883.db2.gz LNHDBJXEMSJOLF-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO C[NH2+][C@@H](C)CN1CC[C@H]2CCCC[C@H]21 306979280 345731748 /nfs/dbraw/zinc/73/17/48/345731748.db2.gz FPRWPBDHOFXTDC-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@@H+]1CC[C@H]2CCCC[C@H]21 306979280 345731750 /nfs/dbraw/zinc/73/17/50/345731750.db2.gz FPRWPBDHOFXTDC-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H](C)C[N@H+]1CC[C@H]2CCCC[C@H]21 306979280 345731751 /nfs/dbraw/zinc/73/17/51/345731751.db2.gz FPRWPBDHOFXTDC-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1(C)[C@H]2CN(CC3([NH3+])CC3)C[C@H]21 306984681 345734754 /nfs/dbraw/zinc/73/47/54/345734754.db2.gz VLANTFIKTOUCTI-DTORHVGOSA-N 1 3 180.295 1.066 10 0 ADAEHO CC[N@@H+]1CC[C@H](N)CC(C)(C)C1 306988290 345736398 /nfs/dbraw/zinc/73/63/98/345736398.db2.gz GHBZLYQQVCLRND-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CC[C@H](N)CC(C)(C)C1 306988290 345736400 /nfs/dbraw/zinc/73/64/00/345736400.db2.gz GHBZLYQQVCLRND-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CCN1CC[C@H]([NH3+])CC(C)(C)C1 306988290 345736402 /nfs/dbraw/zinc/73/64/02/345736402.db2.gz GHBZLYQQVCLRND-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+]1CC[C@@H](N)CC(C)(C)C1 306988283 345736705 /nfs/dbraw/zinc/73/67/05/345736705.db2.gz GHBZLYQQVCLRND-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CC[C@@H](N)CC(C)(C)C1 306988283 345736708 /nfs/dbraw/zinc/73/67/08/345736708.db2.gz GHBZLYQQVCLRND-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN1CC[C@@H]([NH3+])CC(C)(C)C1 306988283 345736712 /nfs/dbraw/zinc/73/67/12/345736712.db2.gz GHBZLYQQVCLRND-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@]1(CN2CCC2)CCC[C@H]1[NH3+] 306998099 345741933 /nfs/dbraw/zinc/74/19/33/345741933.db2.gz AZEAXDCUFICHAI-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@]1(CN2CCC2)CCC[C@H]1[NH3+] 306998102 345742049 /nfs/dbraw/zinc/74/20/49/345742049.db2.gz AZEAXDCUFICHAI-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@]1(CN2CCC2)CCC[C@@H]1[NH3+] 306998100 345742099 /nfs/dbraw/zinc/74/20/99/345742099.db2.gz AZEAXDCUFICHAI-UWVGGRQHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@]1(CN2CCC2)CCC[C@@H]1[NH3+] 306998101 345742207 /nfs/dbraw/zinc/74/22/07/345742207.db2.gz AZEAXDCUFICHAI-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO CC(C)C1([NH+]2CCC(N)CC2)CC1 307002146 345744775 /nfs/dbraw/zinc/74/47/75/345744775.db2.gz IHKWWLMXBLVVDC-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)C1(N2CCC([NH3+])CC2)CC1 307002146 345744776 /nfs/dbraw/zinc/74/47/76/345744776.db2.gz IHKWWLMXBLVVDC-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CN([C@H]2CC[C@@H]2C[NH3+])C1 307007055 345748066 /nfs/dbraw/zinc/74/80/66/345748066.db2.gz LMCGBTXSFNOBRL-BDAKNGLRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)CN([C@H]2CC[C@H]2C[NH3+])C1 307007059 345748092 /nfs/dbraw/zinc/74/80/92/345748092.db2.gz LMCGBTXSFNOBRL-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@H]1C 307008156 345748874 /nfs/dbraw/zinc/74/88/74/345748874.db2.gz GUCDPYAXKXIJNJ-YTWAJWBKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]1C 307008154 345748949 /nfs/dbraw/zinc/74/89/49/345748949.db2.gz GUCDPYAXKXIJNJ-DBIOUOCHSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)[C@@H]1C 307008157 345748965 /nfs/dbraw/zinc/74/89/65/345748965.db2.gz GUCDPYAXKXIJNJ-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[C@]1(C)C[C@H]1[N@@H+]1CCC[C@@H](N)C1 307008632 345748981 /nfs/dbraw/zinc/74/89/81/345748981.db2.gz HSJOVJIMTSMANF-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@H]1[N@H+]1CCC[C@@H](N)C1 307008632 345748983 /nfs/dbraw/zinc/74/89/83/345748983.db2.gz HSJOVJIMTSMANF-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@@H]1[N@@H+]1CCC[C@H](N)C1 307008631 345749037 /nfs/dbraw/zinc/74/90/37/345749037.db2.gz HSJOVJIMTSMANF-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@@H]1[N@H+]1CCC[C@H](N)C1 307008631 345749040 /nfs/dbraw/zinc/74/90/40/345749040.db2.gz HSJOVJIMTSMANF-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]C2)C[C@H]1C 307008155 345749113 /nfs/dbraw/zinc/74/91/13/345749113.db2.gz GUCDPYAXKXIJNJ-RCWTZXSCSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[C@]1(C)C[C@@H]1[N@@H+]1CCC[C@@H](N)C1 307008634 345749155 /nfs/dbraw/zinc/74/91/55/345749155.db2.gz HSJOVJIMTSMANF-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@@H]1[N@H+]1CCC[C@@H](N)C1 307008634 345749156 /nfs/dbraw/zinc/74/91/56/345749156.db2.gz HSJOVJIMTSMANF-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@H]1[N@@H+]1CCC[C@H](N)C1 307008633 345749162 /nfs/dbraw/zinc/74/91/62/345749162.db2.gz HSJOVJIMTSMANF-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@H]1[N@H+]1CCC[C@H](N)C1 307008633 345749164 /nfs/dbraw/zinc/74/91/64/345749164.db2.gz HSJOVJIMTSMANF-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CNC[C@H]1[NH2+]C1CCCCC1 307010393 345750631 /nfs/dbraw/zinc/75/06/31/345750631.db2.gz JMYRGHAWEGZAAO-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CNC[C@@H]1[NH2+]C1CCCCC1 307010396 345750687 /nfs/dbraw/zinc/75/06/87/345750687.db2.gz JMYRGHAWEGZAAO-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CNC[C@H]1[NH2+]C1CCCCC1 307010395 345750733 /nfs/dbraw/zinc/75/07/33/345750733.db2.gz JMYRGHAWEGZAAO-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CNC[C@@H]1[NH2+]C1CCCCC1 307010394 345750751 /nfs/dbraw/zinc/75/07/51/345750751.db2.gz JMYRGHAWEGZAAO-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO C1CCC2(C1)C[C@@H]2NC[C@@H]1CC[NH2+]C1 307014652 345753094 /nfs/dbraw/zinc/75/30/94/345753094.db2.gz MXRJZRSVWUWONQ-MNOVXSKESA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCC2(C1)C[C@H]2NC[C@@H]1CC[NH2+]C1 307014651 345753114 /nfs/dbraw/zinc/75/31/14/345753114.db2.gz MXRJZRSVWUWONQ-GHMZBOCLSA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCC2(C1)C[C@@H]2NC[C@H]1CC[NH2+]C1 307014653 345753238 /nfs/dbraw/zinc/75/32/38/345753238.db2.gz MXRJZRSVWUWONQ-QWRGUYRKSA-N 1 3 194.322 1.518 10 0 ADAEHO C1CCC2(C1)C[C@H]2NC[C@H]1CC[NH2+]C1 307014654 345753315 /nfs/dbraw/zinc/75/33/15/345753315.db2.gz MXRJZRSVWUWONQ-WDEREUQCSA-N 1 3 194.322 1.518 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 307015626 345754301 /nfs/dbraw/zinc/75/43/01/345754301.db2.gz QHTFKVRLDQGVQT-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]21 307015624 345754335 /nfs/dbraw/zinc/75/43/35/345754335.db2.gz QHTFKVRLDQGVQT-CHWFTXMASA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 307015627 345754363 /nfs/dbraw/zinc/75/43/63/345754363.db2.gz QHTFKVRLDQGVQT-VPOLOUISSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[C@@H]2C[NH2+]C[C@H]21 307015625 345754445 /nfs/dbraw/zinc/75/44/45/345754445.db2.gz QHTFKVRLDQGVQT-GWOFURMSSA-N 1 3 180.295 1.079 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCCCNC1 307027009 345763561 /nfs/dbraw/zinc/76/35/61/345763561.db2.gz ZESLPKXVRXWFKK-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCCCNC1 307027010 345763661 /nfs/dbraw/zinc/76/36/61/345763661.db2.gz ZESLPKXVRXWFKK-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO CN1CC=C(CNC2=[NH+]CCC2)CC1 307027331 345763946 /nfs/dbraw/zinc/76/39/46/345763946.db2.gz ZXYQHCUITKQARL-UHFFFAOYSA-N 1 3 193.294 1.030 10 0 ADAEHO CC1(C)CC([NH2+][C@@H]2CC[C@H](N)C2)C1 307037948 345770420 /nfs/dbraw/zinc/77/04/20/345770420.db2.gz ZZLLWMJVOOYTSM-DTWKUNHWSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC([NH2+][C@H]2CC[C@H](N)C2)C1 307037949 345770494 /nfs/dbraw/zinc/77/04/94/345770494.db2.gz ZZLLWMJVOOYTSM-IUCAKERBSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC([NH2+][C@H]2CC[C@@H](N)C2)C1 307037947 345770586 /nfs/dbraw/zinc/77/05/86/345770586.db2.gz ZZLLWMJVOOYTSM-BDAKNGLRSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C)CC([NH2+][C@@H]2CC[C@@H](N)C2)C1 307037950 345770612 /nfs/dbraw/zinc/77/06/12/345770612.db2.gz ZZLLWMJVOOYTSM-RKDXNWHRSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2)C1 307039477 345771617 /nfs/dbraw/zinc/77/16/17/345771617.db2.gz JTYKKAQNJIEGGU-HBNTYKKESA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2)[C@@H]1C 307041151 345772166 /nfs/dbraw/zinc/77/21/66/345772166.db2.gz RHDPMWZNFFPRGA-KKOKHZNYSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCNC2)C[C@H]1C 307041152 345772710 /nfs/dbraw/zinc/77/27/10/345772710.db2.gz RHDPMWZNFFPRGA-KXNHARMFSA-N 1 3 196.338 1.620 10 0 ADAEHO NC1CC([N@@H+]2CCC3(CCC3)C2)C1 307046609 345776834 /nfs/dbraw/zinc/77/68/34/345776834.db2.gz YCUQNQLJMOVEPK-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1CC([N@H+]2CCC3(CCC3)C2)C1 307046609 345776838 /nfs/dbraw/zinc/77/68/38/345776838.db2.gz YCUQNQLJMOVEPK-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+]C1CC(N2CCC3(CCC3)C2)C1 307046609 345776839 /nfs/dbraw/zinc/77/68/39/345776839.db2.gz YCUQNQLJMOVEPK-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO N[C@@H]1CC[C@H]([NH+]2C3CCC2CC3)C1 307055772 345782369 /nfs/dbraw/zinc/78/23/69/345782369.db2.gz AHOYMRXFLWCCKH-SFXRXQKFSA-N 1 3 180.295 1.493 10 0 ADAEHO N[C@H]1CC[C@@H]([NH+]2C3CCC2CC3)C1 307055770 345782432 /nfs/dbraw/zinc/78/24/32/345782432.db2.gz AHOYMRXFLWCCKH-IDWGSYCQSA-N 1 3 180.295 1.493 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH+]2C3CCC2CC3)C1 307055769 345782544 /nfs/dbraw/zinc/78/25/44/345782544.db2.gz AHOYMRXFLWCCKH-AGVGLQIMSA-N 1 3 180.295 1.493 10 0 ADAEHO N[C@H]1CC[C@H]([NH+]2C3CCC2CC3)C1 307055771 345782640 /nfs/dbraw/zinc/78/26/40/345782640.db2.gz AHOYMRXFLWCCKH-PMUOWJKOSA-N 1 3 180.295 1.493 10 0 ADAEHO C[C@@H]1CCN1[C@H](C)[C@H]1CC[NH2+]C1 307058433 345784389 /nfs/dbraw/zinc/78/43/89/345784389.db2.gz GESRSPLOXAUJLC-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN1[C@H](C)[C@@H]1CC[NH2+]C1 307058435 345784401 /nfs/dbraw/zinc/78/44/01/345784401.db2.gz GESRSPLOXAUJLC-OPRDCNLKSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]([C@@H]1CC[NH2+]C1)N1CC[C@H]1C 307058434 345784441 /nfs/dbraw/zinc/78/44/41/345784441.db2.gz GESRSPLOXAUJLC-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO CC1=CCCN(C/C=C/C[NH3+])C1 307060584 345786202 /nfs/dbraw/zinc/78/62/02/345786202.db2.gz JUBKVIUORULWJB-NSCUHMNNSA-N 1 3 166.268 1.153 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CC[C@@H]2C[C@@H]21 307062642 345787638 /nfs/dbraw/zinc/78/76/38/345787638.db2.gz GPDNTZNHVVQCSS-PZWNZHSQSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1CC[C@@H]2C[C@@H]21 307062642 345787640 /nfs/dbraw/zinc/78/76/40/345787640.db2.gz GPDNTZNHVVQCSS-PZWNZHSQSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CC[C@H]2C[C@H]21 307062637 345787669 /nfs/dbraw/zinc/78/76/69/345787669.db2.gz GPDNTZNHVVQCSS-IYKVGLELSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1CC[C@H]2C[C@H]21 307062637 345787670 /nfs/dbraw/zinc/78/76/70/345787670.db2.gz GPDNTZNHVVQCSS-IYKVGLELSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@H](CN)C[NH+]1C[C@@H]2CCCC[C@H]2C1 307063830 345788360 /nfs/dbraw/zinc/78/83/60/345788360.db2.gz PYBZHGPFELDIGJ-WOPDTQHZSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H](CN)C[NH+]1C[C@H]2CCCC[C@@H]2C1 307063820 345788469 /nfs/dbraw/zinc/78/84/69/345788469.db2.gz PYBZHGPFELDIGJ-IJLUTSLNSA-N 1 3 196.338 1.703 10 0 ADAEHO CCC[N@@H+]1CC[C@H](N)CC(C)(C)C1 307071594 345792715 /nfs/dbraw/zinc/79/27/15/345792715.db2.gz GSVNIPQZBFDDBW-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+]1CC[C@H](N)CC(C)(C)C1 307071594 345792719 /nfs/dbraw/zinc/79/27/19/345792719.db2.gz GSVNIPQZBFDDBW-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](N)CC(C)(C)C1 307071595 345792846 /nfs/dbraw/zinc/79/28/46/345792846.db2.gz GSVNIPQZBFDDBW-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@H+]1CC[C@@H](N)CC(C)(C)C1 307071595 345792848 /nfs/dbraw/zinc/79/28/48/345792848.db2.gz GSVNIPQZBFDDBW-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO [NH3+][C@H]1CC[C@H](N2CC3(CCCC3)C2)C1 307075033 345795059 /nfs/dbraw/zinc/79/50/59/345795059.db2.gz NMLSCNVSQAFSQW-QWRGUYRKSA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CC3(CCCC3)C2)C1 307075032 345795210 /nfs/dbraw/zinc/79/52/10/345795210.db2.gz NMLSCNVSQAFSQW-MNOVXSKESA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](N2CC3(CCCC3)C2)C1 307075034 345795229 /nfs/dbraw/zinc/79/52/29/345795229.db2.gz NMLSCNVSQAFSQW-WDEREUQCSA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N2CC3(CCCC3)C2)C1 307075031 345795326 /nfs/dbraw/zinc/79/53/26/345795326.db2.gz NMLSCNVSQAFSQW-GHMZBOCLSA-N 1 3 194.322 1.742 10 0 ADAEHO [NH3+]CC1(N2CCC3(CC3)C2)CCC1 307075952 345795810 /nfs/dbraw/zinc/79/58/10/345795810.db2.gz CPWUBIJSAHQHKV-UHFFFAOYSA-N 1 3 180.295 1.354 10 0 ADAEHO CC1CC(N2CC[C@H]([NH3+])[C@H]2C)C1 307084998 345800588 /nfs/dbraw/zinc/80/05/88/345800588.db2.gz WYKNCLJDDFHHOT-RGWUEKKESA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC(N2CC[C@H]([NH3+])[C@@H]2C)C1 307084995 345800644 /nfs/dbraw/zinc/80/06/44/345800644.db2.gz WYKNCLJDDFHHOT-LRHRNSLUSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC(N2CC[C@@H]([NH3+])[C@@H]2C)C1 307084999 345800679 /nfs/dbraw/zinc/80/06/79/345800679.db2.gz WYKNCLJDDFHHOT-RVXWLBMTSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC(N2CC[C@@H]([NH3+])[C@H]2C)C1 307084997 345800703 /nfs/dbraw/zinc/80/07/03/345800703.db2.gz WYKNCLJDDFHHOT-QLVNRRSVSA-N 1 3 168.284 1.206 10 0 ADAEHO Cc1cc([C@@H](N)CC[NH3+])cc(C)c1O 307085649 345801158 /nfs/dbraw/zinc/80/11/58/345801158.db2.gz JQAMIKWRZZVRNK-JTQLQIEISA-N 1 3 194.278 1.358 10 0 ADAEHO Cc1cc([C@H](N)CC[NH3+])cc(C)c1O 307085650 345801244 /nfs/dbraw/zinc/80/12/44/345801244.db2.gz JQAMIKWRZZVRNK-SNVBAGLBSA-N 1 3 194.278 1.358 10 0 ADAEHO C[C@H](C[NH3+])N1CCC2(CCC2)C1 307088691 345803493 /nfs/dbraw/zinc/80/34/93/345803493.db2.gz UDNWPXADNRMOKE-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@]1(CN)CC[N@@H+](C2CCC2)C1 307092724 345806002 /nfs/dbraw/zinc/80/60/02/345806002.db2.gz BODPNABCOQGEKL-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@]1(CN)CC[N@H+](C2CCC2)C1 307092724 345806005 /nfs/dbraw/zinc/80/60/05/345806005.db2.gz BODPNABCOQGEKL-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]1CC1(C)CNC1 307098694 345808419 /nfs/dbraw/zinc/80/84/19/345808419.db2.gz WGPLUEQBOYCAEZ-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]1CC1(C)CNC1 307098694 345808422 /nfs/dbraw/zinc/80/84/22/345808422.db2.gz WGPLUEQBOYCAEZ-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H](C)[N@H+](CC2(C)CNC2)C1 307098690 345808476 /nfs/dbraw/zinc/80/84/76/345808476.db2.gz WGPLUEQBOYCAEZ-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@H](C)[N@@H+](CC2(C)CNC2)C1 307098690 345808479 /nfs/dbraw/zinc/80/84/79/345808479.db2.gz WGPLUEQBOYCAEZ-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@@H](C)[N@H+](CC2(C)CNC2)C1 307098692 345808538 /nfs/dbraw/zinc/80/85/38/345808538.db2.gz WGPLUEQBOYCAEZ-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[C@@H](C)[N@@H+](CC2(C)CNC2)C1 307098692 345808541 /nfs/dbraw/zinc/80/85/41/345808541.db2.gz WGPLUEQBOYCAEZ-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@H+](CC2(C)CNC2)C1 307098688 345808579 /nfs/dbraw/zinc/80/85/79/345808579.db2.gz WGPLUEQBOYCAEZ-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@@H+](CC2(C)CNC2)C1 307098688 345808583 /nfs/dbraw/zinc/80/85/83/345808583.db2.gz WGPLUEQBOYCAEZ-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)(C)CN1C[C@@H]2C[C@H](C1)C2[NH3+] 307099413 345809251 /nfs/dbraw/zinc/80/92/51/345809251.db2.gz WUTVFKMEYMNSAB-ULKQDVFKSA-N 1 3 182.311 1.312 10 0 ADAEHO CC(C)(C)C[N@@H+]1C[C@@H]2C[C@H](C1)C2N 307099413 345809253 /nfs/dbraw/zinc/80/92/53/345809253.db2.gz WUTVFKMEYMNSAB-ULKQDVFKSA-N 1 3 182.311 1.312 10 0 ADAEHO CC(C)(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2N 307099413 345809255 /nfs/dbraw/zinc/80/92/55/345809255.db2.gz WUTVFKMEYMNSAB-ULKQDVFKSA-N 1 3 182.311 1.312 10 0 ADAEHO [NH3+]CC1(N2C3CCC2CC3)CCC1 307112976 345816881 /nfs/dbraw/zinc/81/68/81/345816881.db2.gz AKBVWPNICABEEU-UHFFFAOYSA-N 1 3 180.295 1.495 10 0 ADAEHO N[C@H](CC[NH3+])c1ccc2cc[nH]c2c1 307114989 345817955 /nfs/dbraw/zinc/81/79/55/345817955.db2.gz COGFPBKNNFCRHS-SNVBAGLBSA-N 1 3 189.262 1.517 10 0 ADAEHO C[C@@H]1CCN1[C@H]1C[C@H]([NH3+])C1(C)C 307115574 345818311 /nfs/dbraw/zinc/81/83/11/345818311.db2.gz DFUBDUDFJKUZOB-VGMNWLOBSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1C[C@H](N)C1(C)C 307115574 345818314 /nfs/dbraw/zinc/81/83/14/345818314.db2.gz DFUBDUDFJKUZOB-VGMNWLOBSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1C[C@H](N)C1(C)C 307115574 345818317 /nfs/dbraw/zinc/81/83/17/345818317.db2.gz DFUBDUDFJKUZOB-VGMNWLOBSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1C[C@@H]([NH3+])C1(C)C 307115573 345818409 /nfs/dbraw/zinc/81/84/09/345818409.db2.gz DFUBDUDFJKUZOB-IWSPIJDZSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1C[C@@H](N)C1(C)C 307115573 345818410 /nfs/dbraw/zinc/81/84/10/345818410.db2.gz DFUBDUDFJKUZOB-IWSPIJDZSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1C[C@@H](N)C1(C)C 307115573 345818411 /nfs/dbraw/zinc/81/84/11/345818411.db2.gz DFUBDUDFJKUZOB-IWSPIJDZSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1C[C@H]([NH3+])C1(C)C 307115572 345818614 /nfs/dbraw/zinc/81/86/14/345818614.db2.gz DFUBDUDFJKUZOB-HRDYMLBCSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1C[C@H](N)C1(C)C 307115572 345818616 /nfs/dbraw/zinc/81/86/16/345818616.db2.gz DFUBDUDFJKUZOB-HRDYMLBCSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1C[C@H](N)C1(C)C 307115572 345818617 /nfs/dbraw/zinc/81/86/17/345818617.db2.gz DFUBDUDFJKUZOB-HRDYMLBCSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CCN1[C@H]1C[C@@H]([NH3+])C1(C)C 307115571 345818732 /nfs/dbraw/zinc/81/87/32/345818732.db2.gz DFUBDUDFJKUZOB-HLTSFMKQSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1C[C@@H](N)C1(C)C 307115571 345818734 /nfs/dbraw/zinc/81/87/34/345818734.db2.gz DFUBDUDFJKUZOB-HLTSFMKQSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1C[C@@H](N)C1(C)C 307115571 345818736 /nfs/dbraw/zinc/81/87/36/345818736.db2.gz DFUBDUDFJKUZOB-HLTSFMKQSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CN(C(C)(C)CC[NH3+])C1 307121587 345821507 /nfs/dbraw/zinc/82/15/07/345821507.db2.gz JPPQVLKYIJXOHT-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1C[NH+](C(C)(C)CCN)C1 307121587 345821509 /nfs/dbraw/zinc/82/15/09/345821509.db2.gz JPPQVLKYIJXOHT-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1CC(N[C@@H]2CCC[NH2+][C@H]2C)C1 307126687 345825024 /nfs/dbraw/zinc/82/50/24/345825024.db2.gz UZRNIIZGWUKEBF-QONHTCSSSA-N 1 3 182.311 1.515 10 0 ADAEHO CC1CC(N[C@H]2CCC[NH2+][C@@H]2C)C1 307126685 345824660 /nfs/dbraw/zinc/82/46/60/345824660.db2.gz UZRNIIZGWUKEBF-DJRKXVOMSA-N 1 3 182.311 1.515 10 0 ADAEHO CC1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C1 307126689 345824716 /nfs/dbraw/zinc/82/47/16/345824716.db2.gz UZRNIIZGWUKEBF-VGRIYTJTSA-N 1 3 182.311 1.515 10 0 ADAEHO [NH3+]C1CC(N[C@@H]2CC23CCCC3)C1 307126997 345824860 /nfs/dbraw/zinc/82/48/60/345824860.db2.gz CAWVFVQCBXNGIN-UDNWOFFPSA-N 1 3 180.295 1.398 10 0 ADAEHO NC1CC([NH2+][C@@H]2CC23CCCC3)C1 307126997 345824863 /nfs/dbraw/zinc/82/48/63/345824863.db2.gz CAWVFVQCBXNGIN-UDNWOFFPSA-N 1 3 180.295 1.398 10 0 ADAEHO CC1CC(N[C@H]2CCC[NH2+][C@H]2C)C1 307126691 345824892 /nfs/dbraw/zinc/82/48/92/345824892.db2.gz UZRNIIZGWUKEBF-YIYTYNFBSA-N 1 3 182.311 1.515 10 0 ADAEHO [NH3+]C1CC(N[C@H]2CC23CCCC3)C1 307126996 345825004 /nfs/dbraw/zinc/82/50/04/345825004.db2.gz CAWVFVQCBXNGIN-RTBKNWGFSA-N 1 3 180.295 1.398 10 0 ADAEHO NC1CC([NH2+][C@H]2CC23CCCC3)C1 307126996 345825005 /nfs/dbraw/zinc/82/50/05/345825005.db2.gz CAWVFVQCBXNGIN-RTBKNWGFSA-N 1 3 180.295 1.398 10 0 ADAEHO C[C@H]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 307143136 345836268 /nfs/dbraw/zinc/83/62/68/345836268.db2.gz GATMLGPONHLTAE-QJPTWQEYSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 307143138 345836504 /nfs/dbraw/zinc/83/65/04/345836504.db2.gz GATMLGPONHLTAE-SDDRHHMPSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1(C)[C@H]2C[N@@H+](C3CC(N)C3)C[C@H]21 307143542 345836963 /nfs/dbraw/zinc/83/69/63/345836963.db2.gz GPGXPICLEFOHRX-OXYCZDQYSA-N 1 3 180.295 1.064 10 0 ADAEHO CC1(C)[C@H]2C[N@H+](C3CC(N)C3)C[C@H]21 307143542 345836966 /nfs/dbraw/zinc/83/69/66/345836966.db2.gz GPGXPICLEFOHRX-OXYCZDQYSA-N 1 3 180.295 1.064 10 0 ADAEHO CC(C)[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 307144583 345837497 /nfs/dbraw/zinc/83/74/97/345837497.db2.gz FWZRQFSOOVVADE-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 307144583 345837500 /nfs/dbraw/zinc/83/75/00/345837500.db2.gz FWZRQFSOOVVADE-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307144586 345838090 /nfs/dbraw/zinc/83/80/90/345838090.db2.gz FWZRQFSOOVVADE-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307144586 345838092 /nfs/dbraw/zinc/83/80/92/345838092.db2.gz FWZRQFSOOVVADE-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 307144584 345838286 /nfs/dbraw/zinc/83/82/86/345838286.db2.gz FWZRQFSOOVVADE-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@H+]1C[C@H]2CCC[C@]2(CN)C1 307144584 345838288 /nfs/dbraw/zinc/83/82/88/345838288.db2.gz FWZRQFSOOVVADE-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2CN)[C@@H]1C 307151586 345844010 /nfs/dbraw/zinc/84/40/10/345844010.db2.gz DTFYHNYBWSEJBL-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2CN)[C@@H]1C 307151586 345844014 /nfs/dbraw/zinc/84/40/14/345844014.db2.gz DTFYHNYBWSEJBL-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@H]1CN 307151589 345844059 /nfs/dbraw/zinc/84/40/59/345844059.db2.gz DTFYHNYBWSEJBL-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@H]1CN 307151589 345844063 /nfs/dbraw/zinc/84/40/63/345844063.db2.gz DTFYHNYBWSEJBL-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@@H]1CN 307151588 345844155 /nfs/dbraw/zinc/84/41/55/345844155.db2.gz DTFYHNYBWSEJBL-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[C@@H]1CN 307151588 345844158 /nfs/dbraw/zinc/84/41/58/345844158.db2.gz DTFYHNYBWSEJBL-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 307151587 345844556 /nfs/dbraw/zinc/84/45/56/345844556.db2.gz DTFYHNYBWSEJBL-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 307151587 345844558 /nfs/dbraw/zinc/84/45/58/345844558.db2.gz DTFYHNYBWSEJBL-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO CN(C1CC([NH3+])C1)C1CC(C)(C)C1 307153649 345846331 /nfs/dbraw/zinc/84/63/31/345846331.db2.gz CPBVLVUCVPMCSX-UHFFFAOYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[N@H+](C1CC(N)C1)C1CC(C)(C)C1 307153649 345846334 /nfs/dbraw/zinc/84/63/34/345846334.db2.gz CPBVLVUCVPMCSX-UHFFFAOYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[N@@H+](C1CC(N)C1)C1CC(C)(C)C1 307153649 345846336 /nfs/dbraw/zinc/84/63/36/345846336.db2.gz CPBVLVUCVPMCSX-UHFFFAOYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H]([NH3+])CCN1c1ccncc1 307154035 345846350 /nfs/dbraw/zinc/84/63/50/345846350.db2.gz CEIYSMYOIFZQHF-WCBMZHEXSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1c1ccncc1 307154034 345846466 /nfs/dbraw/zinc/84/64/66/345846466.db2.gz CEIYSMYOIFZQHF-SCZZXKLOSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1c1ccncc1 307154037 345846513 /nfs/dbraw/zinc/84/65/13/345846513.db2.gz CEIYSMYOIFZQHF-WPRPVWTQSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1c1ccncc1 307154032 345846536 /nfs/dbraw/zinc/84/65/36/345846536.db2.gz CEIYSMYOIFZQHF-PSASIEDQSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@@](N)(C[NH3+])[C@@H]1CC2CCC1CC2 307155908 345847928 /nfs/dbraw/zinc/84/79/28/345847928.db2.gz MYNCYRPSLFWNCX-JPPWEJMLSA-N 1 3 182.311 1.489 10 0 ADAEHO C[C@](N)(C[NH3+])[C@@H]1CC2CCC1CC2 307155909 345847648 /nfs/dbraw/zinc/84/76/48/345847648.db2.gz MYNCYRPSLFWNCX-LXKPXOPUSA-N 1 3 182.311 1.489 10 0 ADAEHO C[C@@](N)(C[NH3+])[C@H]1CC2CCC1CC2 307155911 345847833 /nfs/dbraw/zinc/84/78/33/345847833.db2.gz MYNCYRPSLFWNCX-WFBLGPOFSA-N 1 3 182.311 1.489 10 0 ADAEHO C[C@](N)(C[NH3+])[C@H]1CC2CCC1CC2 307155910 345847968 /nfs/dbraw/zinc/84/79/68/345847968.db2.gz MYNCYRPSLFWNCX-TVUZUIDESA-N 1 3 182.311 1.489 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CSC1 307158008 345849651 /nfs/dbraw/zinc/84/96/51/345849651.db2.gz ACDNLZKCIJDQIY-CBLAIPOGSA-N 1 3 198.335 1.056 10 0 ADAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CSC1 307158008 345849654 /nfs/dbraw/zinc/84/96/54/345849654.db2.gz ACDNLZKCIJDQIY-CBLAIPOGSA-N 1 3 198.335 1.056 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307178605 345868467 /nfs/dbraw/zinc/86/84/67/345868467.db2.gz KKKHQMRYVCDMAG-UKKRHICBSA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1C[C@H]2C[C@H]2C1 307178602 345868411 /nfs/dbraw/zinc/86/84/11/345868411.db2.gz KKKHQMRYVCDMAG-MMWGEVLESA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307178602 345868414 /nfs/dbraw/zinc/86/84/14/345868414.db2.gz KKKHQMRYVCDMAG-MMWGEVLESA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[N@H+]1C[C@H]2C[C@H]2C1 307178605 345868464 /nfs/dbraw/zinc/86/84/64/345868464.db2.gz KKKHQMRYVCDMAG-UKKRHICBSA-N 1 3 180.295 1.066 10 0 ADAEHO Cc1cccc([C@@H](N)CC[NH3+])c1C 307181358 345870482 /nfs/dbraw/zinc/87/04/82/345870482.db2.gz MRBKUOURUJSTKB-NSHDSACASA-N 1 3 178.279 1.652 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1C[C@H]2C[C@H]2C1 307183757 345872414 /nfs/dbraw/zinc/87/24/14/345872414.db2.gz ZBDNBPMEOBRDJV-YTWAJWBKSA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307183757 345872417 /nfs/dbraw/zinc/87/24/17/345872417.db2.gz ZBDNBPMEOBRDJV-YTWAJWBKSA-N 1 3 180.295 1.079 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1N1C[C@H]2C[C@H]2C1 307183757 345872418 /nfs/dbraw/zinc/87/24/18/345872418.db2.gz ZBDNBPMEOBRDJV-YTWAJWBKSA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@H+]1C[C@H]2C[C@H]2C1 307183755 345872458 /nfs/dbraw/zinc/87/24/58/345872458.db2.gz ZBDNBPMEOBRDJV-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307183755 345872461 /nfs/dbraw/zinc/87/24/61/345872461.db2.gz ZBDNBPMEOBRDJV-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1N1C[C@H]2C[C@H]2C1 307183755 345872464 /nfs/dbraw/zinc/87/24/64/345872464.db2.gz ZBDNBPMEOBRDJV-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C 307191716 345877279 /nfs/dbraw/zinc/87/72/79/345877279.db2.gz AMMSZRPMVLMMIA-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C 307191716 345877283 /nfs/dbraw/zinc/87/72/83/345877283.db2.gz AMMSZRPMVLMMIA-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307191717 345877340 /nfs/dbraw/zinc/87/73/40/345877340.db2.gz AMMSZRPMVLMMIA-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307191717 345877343 /nfs/dbraw/zinc/87/73/43/345877343.db2.gz AMMSZRPMVLMMIA-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](CN)[C@H](C)C[C@H]1C 307191713 345877380 /nfs/dbraw/zinc/87/73/80/345877380.db2.gz AMMSZRPMVLMMIA-GMTAPVOTSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](CN)[C@H](C)C[C@H]1C 307191713 345877383 /nfs/dbraw/zinc/87/73/83/345877383.db2.gz AMMSZRPMVLMMIA-GMTAPVOTSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307191715 345877433 /nfs/dbraw/zinc/87/74/33/345877433.db2.gz AMMSZRPMVLMMIA-MXWKQRLJSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307191715 345877436 /nfs/dbraw/zinc/87/74/36/345877436.db2.gz AMMSZRPMVLMMIA-MXWKQRLJSA-N 1 3 184.327 1.700 10 0 ADAEHO NC[C@@]12CCC[C@@H]1C[N@@H+](C1CCC1)C2 307192656 345878297 /nfs/dbraw/zinc/87/82/97/345878297.db2.gz MDCBZOWITRTMSB-ZYHUDNBSSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@@]12CCC[C@@H]1C[N@H+](C1CCC1)C2 307192656 345878299 /nfs/dbraw/zinc/87/82/99/345878299.db2.gz MDCBZOWITRTMSB-ZYHUDNBSSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@@]12CCC[C@H]1C[N@@H+](C1CCC1)C2 307192653 345878429 /nfs/dbraw/zinc/87/84/29/345878429.db2.gz MDCBZOWITRTMSB-CMPLNLGQSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@@]12CCC[C@H]1C[N@H+](C1CCC1)C2 307192653 345878432 /nfs/dbraw/zinc/87/84/32/345878432.db2.gz MDCBZOWITRTMSB-CMPLNLGQSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@]12CCC[C@H]1C[N@@H+](C1CCC1)C2 307192654 345878477 /nfs/dbraw/zinc/87/84/77/345878477.db2.gz MDCBZOWITRTMSB-JQWIXIFHSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@]12CCC[C@H]1C[N@H+](C1CCC1)C2 307192654 345878478 /nfs/dbraw/zinc/87/84/78/345878478.db2.gz MDCBZOWITRTMSB-JQWIXIFHSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@]12CCC[C@@H]1C[N@@H+](C1CCC1)C2 307192655 345878713 /nfs/dbraw/zinc/87/87/13/345878713.db2.gz MDCBZOWITRTMSB-PWSUYJOCSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@]12CCC[C@@H]1C[N@H+](C1CCC1)C2 307192655 345878715 /nfs/dbraw/zinc/87/87/15/345878715.db2.gz MDCBZOWITRTMSB-PWSUYJOCSA-N 1 3 194.322 1.600 10 0 ADAEHO C1CCC([NH+]2CC3=C(CNC3)C2)C1 307199036 345884665 /nfs/dbraw/zinc/88/46/65/345884665.db2.gz ZCUILHINYYVIJT-UHFFFAOYSA-N 1 3 178.279 1.144 10 0 ADAEHO C1C[C@H]2[C@H](C1)CCN2[C@@H]1CC[NH2+]C1 307202622 345886888 /nfs/dbraw/zinc/88/68/88/345886888.db2.gz FWQUVOPQLWBOOJ-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)CC[N@@H+]2[C@@H]1CCNC1 307202622 345886890 /nfs/dbraw/zinc/88/68/90/345886890.db2.gz FWQUVOPQLWBOOJ-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)CC[N@H+]2[C@@H]1CCNC1 307202622 345886891 /nfs/dbraw/zinc/88/68/91/345886891.db2.gz FWQUVOPQLWBOOJ-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2CCN([C@@H]3CC[NH2+]C3)[C@@H]2C1 307202621 345886912 /nfs/dbraw/zinc/88/69/12/345886912.db2.gz FWQUVOPQLWBOOJ-GMTAPVOTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2CC[N@H+]([C@@H]3CCNC3)[C@@H]2C1 307202621 345886914 /nfs/dbraw/zinc/88/69/14/345886914.db2.gz FWQUVOPQLWBOOJ-GMTAPVOTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2CC[N@@H+]([C@@H]3CCNC3)[C@@H]2C1 307202621 345886916 /nfs/dbraw/zinc/88/69/16/345886916.db2.gz FWQUVOPQLWBOOJ-GMTAPVOTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)CCN2[C@H]1CC[NH2+]C1 307202624 345887008 /nfs/dbraw/zinc/88/70/08/345887008.db2.gz FWQUVOPQLWBOOJ-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)CC[N@@H+]2[C@H]1CCNC1 307202624 345887010 /nfs/dbraw/zinc/88/70/10/345887010.db2.gz FWQUVOPQLWBOOJ-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)CC[N@H+]2[C@H]1CCNC1 307202624 345887013 /nfs/dbraw/zinc/88/70/13/345887013.db2.gz FWQUVOPQLWBOOJ-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2CCN([C@H]3CC[NH2+]C3)[C@@H]2C1 307202623 345887186 /nfs/dbraw/zinc/88/71/86/345887186.db2.gz FWQUVOPQLWBOOJ-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2CC[N@H+]([C@H]3CCNC3)[C@@H]2C1 307202623 345887189 /nfs/dbraw/zinc/88/71/89/345887189.db2.gz FWQUVOPQLWBOOJ-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2CC[N@@H+]([C@H]3CCNC3)[C@@H]2C1 307202623 345887192 /nfs/dbraw/zinc/88/71/92/345887192.db2.gz FWQUVOPQLWBOOJ-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO [NH3+]C1(CN2C[C@H]3C[C@H]3C2)CCCC1 307204561 345888690 /nfs/dbraw/zinc/88/86/90/345888690.db2.gz GPXKVKZMMDROJL-AOOOYVTPSA-N 1 3 180.295 1.210 10 0 ADAEHO NC1(C[N@H+]2C[C@H]3C[C@H]3C2)CCCC1 307204561 345888693 /nfs/dbraw/zinc/88/86/93/345888693.db2.gz GPXKVKZMMDROJL-AOOOYVTPSA-N 1 3 180.295 1.210 10 0 ADAEHO NC1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCCC1 307204561 345888697 /nfs/dbraw/zinc/88/86/97/345888697.db2.gz GPXKVKZMMDROJL-AOOOYVTPSA-N 1 3 180.295 1.210 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC1(C)C 307217755 345898257 /nfs/dbraw/zinc/89/82/57/345898257.db2.gz MZCIKLNUWKHZSH-BIIVOSGPSA-N 1 3 156.273 1.110 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N[C@@H]1CC1(C)C 307217758 345898297 /nfs/dbraw/zinc/89/82/97/345898297.db2.gz MZCIKLNUWKHZSH-XLPZGREQSA-N 1 3 156.273 1.110 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1CC1(C)C 307217756 345898411 /nfs/dbraw/zinc/89/84/11/345898411.db2.gz MZCIKLNUWKHZSH-FXQIFTODSA-N 1 3 156.273 1.110 10 0 ADAEHO [NH3+][C@@H]1CC[C@H]2CN(CCF)C[C@H]2C1 307221839 345900684 /nfs/dbraw/zinc/90/06/84/345900684.db2.gz YEXQHWIAGSYNNA-IVZWLZJFSA-N 1 3 186.274 1.015 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCF)C[C@@H]2C1 307221840 345900966 /nfs/dbraw/zinc/90/09/66/345900966.db2.gz YEXQHWIAGSYNNA-KXUCPTDWSA-N 1 3 186.274 1.015 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCF)C[C@H]2C1 307221844 345901084 /nfs/dbraw/zinc/90/10/84/345901084.db2.gz YEXQHWIAGSYNNA-OPRDCNLKSA-N 1 3 186.274 1.015 10 0 ADAEHO CC[C@@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 307222379 345901430 /nfs/dbraw/zinc/90/14/30/345901430.db2.gz QSQZOXDKXOKELE-HNJRMYHASA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(C)CNC2)C[C@@H]1C 307229119 345905858 /nfs/dbraw/zinc/90/58/58/345905858.db2.gz KVYZXOJAVXFWIE-AOOOYVTPSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(C)CNC2)C[C@@H]1C 307229119 345905859 /nfs/dbraw/zinc/90/58/59/345905859.db2.gz KVYZXOJAVXFWIE-AOOOYVTPSA-N 1 3 182.311 1.184 10 0 ADAEHO C1CC(N2CC[C@@]3(CC[NH2+]C3)C2)C1 307229096 345905953 /nfs/dbraw/zinc/90/59/53/345905953.db2.gz ZFDNJNJXDPKXDR-LLVKDONJSA-N 1 3 180.295 1.224 10 0 ADAEHO C1CC(N2CC[C@]3(CC[NH2+]C3)C2)C1 307229098 345906005 /nfs/dbraw/zinc/90/60/05/345906005.db2.gz ZFDNJNJXDPKXDR-NSHDSACASA-N 1 3 180.295 1.224 10 0 ADAEHO C[C@@H]1C[NH+](CC2(C)CNC2)C[C@H]1C 307229120 345906076 /nfs/dbraw/zinc/90/60/76/345906076.db2.gz KVYZXOJAVXFWIE-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO C[C@H]1C[NH+](CC2(C)CNC2)C[C@@H]1C 307229121 345906273 /nfs/dbraw/zinc/90/62/73/345906273.db2.gz KVYZXOJAVXFWIE-UWVGGRQHSA-N 1 3 182.311 1.184 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@@H]1CCN1 307230274 345906857 /nfs/dbraw/zinc/90/68/57/345906857.db2.gz KOFFPZUEXWBNQZ-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@@H]1CCN1 307230274 345906860 /nfs/dbraw/zinc/90/68/60/345906860.db2.gz KOFFPZUEXWBNQZ-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C[N@@H+]2CCCC2(C)C)CNC1 307230123 345907259 /nfs/dbraw/zinc/90/72/59/345907259.db2.gz BLQPBERGUVDLPF-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C[N@H+]2CCCC2(C)C)CNC1 307230123 345907262 /nfs/dbraw/zinc/90/72/62/345907262.db2.gz BLQPBERGUVDLPF-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@H]1CCN1 307230269 345907285 /nfs/dbraw/zinc/90/72/85/345907285.db2.gz KOFFPZUEXWBNQZ-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@H]1CCN1 307230269 345907287 /nfs/dbraw/zinc/90/72/87/345907287.db2.gz KOFFPZUEXWBNQZ-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CN(C1CC([NH3+])C1)C(C)(C)C 307236270 345912453 /nfs/dbraw/zinc/91/24/53/345912453.db2.gz NNWAOXVHJOALJX-UHFFFAOYSA-N 1 3 156.273 1.206 10 0 ADAEHO CCC1(N2CCC([NH3+])CC2)CC1 307236973 345913152 /nfs/dbraw/zinc/91/31/52/345913152.db2.gz OENQHKOWGIFMMJ-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC1(C)CN(CC2CCC2)C[C@@H]1[NH3+] 307245340 345918685 /nfs/dbraw/zinc/91/86/85/345918685.db2.gz VQYSEKYGEJNCPS-JTQLQIEISA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CN(CC2CCC2)C[C@H]1[NH3+] 307245342 345918915 /nfs/dbraw/zinc/91/89/15/345918915.db2.gz VQYSEKYGEJNCPS-SNVBAGLBSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1[C@@H]([N@H+]2CC[C@@H](CN)C2)C[C@H]1C 307248594 345920874 /nfs/dbraw/zinc/92/08/74/345920874.db2.gz ARPJQAQCMPDYMI-RCWTZXSCSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](CN)C2)[C@@H]1C 307248592 345920885 /nfs/dbraw/zinc/92/08/85/345920885.db2.gz ARPJQAQCMPDYMI-DBIOUOCHSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](CN)C2)[C@@H]1C 307248592 345920887 /nfs/dbraw/zinc/92/08/87/345920887.db2.gz ARPJQAQCMPDYMI-DBIOUOCHSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CN)C2)[C@@H]1C 307248598 345920893 /nfs/dbraw/zinc/92/08/93/345920893.db2.gz ARPJQAQCMPDYMI-ZNSHCXBVSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CN)C2)[C@@H]1C 307248598 345920895 /nfs/dbraw/zinc/92/08/95/345920895.db2.gz ARPJQAQCMPDYMI-ZNSHCXBVSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1[C@@H]([N@@H+]2CC[C@H](CN)C2)C[C@H]1C 307248595 345921145 /nfs/dbraw/zinc/92/11/45/345921145.db2.gz ARPJQAQCMPDYMI-YTWAJWBKSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1[C@@H]([N@H+]2CC[C@H](CN)C2)C[C@H]1C 307248595 345921146 /nfs/dbraw/zinc/92/11/46/345921146.db2.gz ARPJQAQCMPDYMI-YTWAJWBKSA-N 1 3 182.311 1.312 10 0 ADAEHO CN(c1ccncc1)C1CC([NH3+])C1 307250308 345922719 /nfs/dbraw/zinc/92/27/19/345922719.db2.gz PKLWNCXCIGKJGC-UHFFFAOYSA-N 1 3 177.251 1.008 10 0 ADAEHO C1CC2(C1)CCN(CC1C[NH2+]C1)C2 307250947 345922753 /nfs/dbraw/zinc/92/27/53/345922753.db2.gz MTGKKWJZRDBYLU-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO C1CC2(C1)CC[N@@H+](CC1CNC1)C2 307250947 345922756 /nfs/dbraw/zinc/92/27/56/345922756.db2.gz MTGKKWJZRDBYLU-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO C1CC2(C1)CC[N@H+](CC1CNC1)C2 307250947 345922758 /nfs/dbraw/zinc/92/27/58/345922758.db2.gz MTGKKWJZRDBYLU-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO CC1(C[NH+]2CCCCC2)CNC1 307264392 345934009 /nfs/dbraw/zinc/93/40/09/345934009.db2.gz KAHBWLDJRQOPOR-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C[C@@H](C1CCCCC1)[C@H](N)C[NH3+] 307270564 345937593 /nfs/dbraw/zinc/93/75/93/345937593.db2.gz AJRREPRABBDOOI-WCBMZHEXSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@@H](C1CCCCC1)[C@@H](N)C[NH3+] 307270566 345937684 /nfs/dbraw/zinc/93/76/84/345937684.db2.gz AJRREPRABBDOOI-WPRPVWTQSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@H](C1CCCCC1)[C@H](N)C[NH3+] 307270560 345937786 /nfs/dbraw/zinc/93/77/86/345937786.db2.gz AJRREPRABBDOOI-PSASIEDQSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@H](C1CCCCC1)[C@@H](N)C[NH3+] 307270562 345937818 /nfs/dbraw/zinc/93/78/18/345937818.db2.gz AJRREPRABBDOOI-SCZZXKLOSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH2+]C1CCNCC1 307276957 345942389 /nfs/dbraw/zinc/94/23/89/345942389.db2.gz QYIMNVXMFFGOIZ-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCC2)C1 307276194 345942259 /nfs/dbraw/zinc/94/22/59/345942259.db2.gz UXQNXIVHRAEKTR-VWYCJHECSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@H]1[NH2+]C1CCNCC1 307276956 345942315 /nfs/dbraw/zinc/94/23/15/345942315.db2.gz QYIMNVXMFFGOIZ-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH3+])[C@@H](CN2CCC2)C1 307276191 345942354 /nfs/dbraw/zinc/94/23/54/345942354.db2.gz UXQNXIVHRAEKTR-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H]([NH3+])[C@@H](CN2CCC2)C1 307276192 345942412 /nfs/dbraw/zinc/94/24/12/345942412.db2.gz UXQNXIVHRAEKTR-MXWKQRLJSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH3+])[C@H](CN2CCC2)C1 307276193 345942425 /nfs/dbraw/zinc/94/24/25/345942425.db2.gz UXQNXIVHRAEKTR-OUAUKWLOSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)CN1 307277314 345942971 /nfs/dbraw/zinc/94/29/71/345942971.db2.gz RJPROTUCRAJESM-MWLCHTKSSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C2CCCCC2)CN1 307277312 345942985 /nfs/dbraw/zinc/94/29/85/345942985.db2.gz RJPROTUCRAJESM-GXSJLCMTSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]C2CCCCC2)CN1 307277315 345943004 /nfs/dbraw/zinc/94/30/04/345943004.db2.gz RJPROTUCRAJESM-ONGXEEELSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]([C@H]1C[C@H]1C)[NH+]1CCC(N)CC1 307281892 345945411 /nfs/dbraw/zinc/94/54/11/345945411.db2.gz HXZRALZYJVYPKM-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([C@H]1C[C@H]1C)N1CCC([NH3+])CC1 307281892 345945413 /nfs/dbraw/zinc/94/54/13/345945413.db2.gz HXZRALZYJVYPKM-YWVKMMECSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH+]1CCC(N)CC1 307281888 345945423 /nfs/dbraw/zinc/94/54/23/345945423.db2.gz HXZRALZYJVYPKM-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@H]1[C@@H](C)N1CCC([NH3+])CC1 307281888 345945425 /nfs/dbraw/zinc/94/54/25/345945425.db2.gz HXZRALZYJVYPKM-FXPVBKGRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH+]1CCC(N)CC1 307281889 345945558 /nfs/dbraw/zinc/94/55/58/345945558.db2.gz HXZRALZYJVYPKM-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N1CCC([NH3+])CC1 307281889 345945560 /nfs/dbraw/zinc/94/55/60/345945560.db2.gz HXZRALZYJVYPKM-KKZNHRDASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([C@@H]1C[C@H]1C)[NH+]1CCC(N)CC1 307281890 345945603 /nfs/dbraw/zinc/94/56/03/345945603.db2.gz HXZRALZYJVYPKM-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([C@@H]1C[C@H]1C)N1CCC([NH3+])CC1 307281890 345945604 /nfs/dbraw/zinc/94/56/04/345945604.db2.gz HXZRALZYJVYPKM-WCABBAIRSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]C1CC(N)C1 307287609 345948657 /nfs/dbraw/zinc/94/86/57/345948657.db2.gz VDEKOEAEIWVEHE-DJAYFPKFSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1NC1CC([NH3+])C1 307287609 345948658 /nfs/dbraw/zinc/94/86/58/345948658.db2.gz VDEKOEAEIWVEHE-DJAYFPKFSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C2CC(N)C2)[C@@H]1C 307287611 345948731 /nfs/dbraw/zinc/94/87/31/345948731.db2.gz VDEKOEAEIWVEHE-ZDJSQJGASA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1C[C@@H](NC2CC([NH3+])C2)[C@@H]1C 307287611 345948733 /nfs/dbraw/zinc/94/87/33/345948733.db2.gz VDEKOEAEIWVEHE-ZDJSQJGASA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1C[C@H](NC2CC([NH3+])C2)[C@@H]1C 307287610 345948903 /nfs/dbraw/zinc/94/89/03/345948903.db2.gz VDEKOEAEIWVEHE-IGLXGICUSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1CC([NH+]2CCCC2)C[C@@H](C)N1 307291404 345950641 /nfs/dbraw/zinc/95/06/41/345950641.db2.gz CEXMCCRJKRSECE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[C@@]1(C[NH3+])N1CCC1 307291500 345950662 /nfs/dbraw/zinc/95/06/62/345950662.db2.gz BHJCEKIGSUVMQF-WOPDTQHZSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[C@](C[NH3+])(N2CCC2)C1 307291264 345950710 /nfs/dbraw/zinc/95/07/10/345950710.db2.gz BHJCEKIGSUVMQF-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1C[C@H]([NH+]2CCCC2)C[C@@H](C)N1 307291401 345950735 /nfs/dbraw/zinc/95/07/35/345950735.db2.gz CEXMCCRJKRSECE-JGPRNRPPSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(N2CCC2)C1 307291261 345950747 /nfs/dbraw/zinc/95/07/47/345950747.db2.gz BHJCEKIGSUVMQF-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[C@]1(C[NH3+])N1CCC1 307291254 345950771 /nfs/dbraw/zinc/95/07/71/345950771.db2.gz BHJCEKIGSUVMQF-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC([NH+]2CCCC2)C[C@H](C)N1 307291406 345950831 /nfs/dbraw/zinc/95/08/31/345950831.db2.gz CEXMCCRJKRSECE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CNC[C@H]1[NH2+]C1CCCC1 307297403 345954146 /nfs/dbraw/zinc/95/41/46/345954146.db2.gz UIFXNPIPKVNNMT-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C)[C@@H](N)C[C@H]1[NH+]1CCCC1 307311844 345963547 /nfs/dbraw/zinc/96/35/47/345963547.db2.gz JCUGIEBHBRNSFS-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)[C@@H](N)C[C@@H]1[NH+]1CCCC1 307311846 345963679 /nfs/dbraw/zinc/96/36/79/345963679.db2.gz JCUGIEBHBRNSFS-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC([N@@H+]2CC[C@H](CN)C2)C1 307317786 345967079 /nfs/dbraw/zinc/96/70/79/345967079.db2.gz PHBCEUAROLFAEO-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC([N@H+]2CC[C@H](CN)C2)C1 307317786 345967081 /nfs/dbraw/zinc/96/70/81/345967081.db2.gz PHBCEUAROLFAEO-SECBINFHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CC([N@@H+]2CC[C@@H](CN)C2)C1 307317787 345967118 /nfs/dbraw/zinc/96/71/18/345967118.db2.gz PHBCEUAROLFAEO-VIFPVBQESA-N 1 3 182.311 1.456 10 0 ADAEHO CN(C)[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 307321302 345969159 /nfs/dbraw/zinc/96/91/59/345969159.db2.gz QFFFFBXEIXYSIC-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 307321305 345969171 /nfs/dbraw/zinc/96/91/71/345969171.db2.gz QFFFFBXEIXYSIC-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 307321303 345969243 /nfs/dbraw/zinc/96/92/43/345969243.db2.gz QFFFFBXEIXYSIC-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CN(C)[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 307321304 345969430 /nfs/dbraw/zinc/96/94/30/345969430.db2.gz QFFFFBXEIXYSIC-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](N)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 307323725 345970919 /nfs/dbraw/zinc/97/09/19/345970919.db2.gz JGEKGENPXTWPOY-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)C[N@H+]1C[C@@H]2CCCCC[C@H]21 307323725 345970920 /nfs/dbraw/zinc/97/09/20/345970920.db2.gz JGEKGENPXTWPOY-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 307323716 345971075 /nfs/dbraw/zinc/97/10/75/345971075.db2.gz JGEKGENPXTWPOY-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)C[N@H+]1C[C@H]2CCCCC[C@@H]21 307323716 345971080 /nfs/dbraw/zinc/97/10/80/345971080.db2.gz JGEKGENPXTWPOY-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 307323721 345971107 /nfs/dbraw/zinc/97/11/07/345971107.db2.gz JGEKGENPXTWPOY-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 307323721 345971110 /nfs/dbraw/zinc/97/11/10/345971110.db2.gz JGEKGENPXTWPOY-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)C[N@@H+]1C[C@H]2CCCCC[C@H]21 307323730 345971220 /nfs/dbraw/zinc/97/12/20/345971220.db2.gz JGEKGENPXTWPOY-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](CN2CCCC2)C1 307326807 345973246 /nfs/dbraw/zinc/97/32/46/345973246.db2.gz ICCZLPPDGPVNII-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CNC[C@H](C[NH+]2CCCC2)C1 307326807 345973248 /nfs/dbraw/zinc/97/32/48/345973248.db2.gz ICCZLPPDGPVNII-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](CN2CCCC2)C1 307326810 345973300 /nfs/dbraw/zinc/97/33/00/345973300.db2.gz ICCZLPPDGPVNII-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CNC[C@H](C[NH+]2CCCC2)C1 307326810 345973302 /nfs/dbraw/zinc/97/33/02/345973302.db2.gz ICCZLPPDGPVNII-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](CN2CCCC2)C1 307326808 345973472 /nfs/dbraw/zinc/97/34/72/345973472.db2.gz ICCZLPPDGPVNII-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CNC[C@@H](C[NH+]2CCCC2)C1 307326808 345973474 /nfs/dbraw/zinc/97/34/74/345973474.db2.gz ICCZLPPDGPVNII-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](CN2CCCC2)C1 307326809 345973586 /nfs/dbraw/zinc/97/35/86/345973586.db2.gz ICCZLPPDGPVNII-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CCC1(C)C 307329297 345974777 /nfs/dbraw/zinc/97/47/77/345974777.db2.gz LGZHSSREQSCMRB-OUAUKWLOSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1[C@H]1CCC1(C)C 307329298 345974810 /nfs/dbraw/zinc/97/48/10/345974810.db2.gz LGZHSSREQSCMRB-VWYCJHECSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1[C@H]1CCC1(C)C 307329298 345974812 /nfs/dbraw/zinc/97/48/12/345974812.db2.gz LGZHSSREQSCMRB-VWYCJHECSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@H]1CCC1(C)C 307329298 345974815 /nfs/dbraw/zinc/97/48/15/345974815.db2.gz LGZHSSREQSCMRB-VWYCJHECSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H]1CCC1(C)C 307329296 345974930 /nfs/dbraw/zinc/97/49/30/345974930.db2.gz LGZHSSREQSCMRB-MXWKQRLJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H]1CCC1(C)C 307329296 345974933 /nfs/dbraw/zinc/97/49/33/345974933.db2.gz LGZHSSREQSCMRB-MXWKQRLJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CCC1(C)C 307329296 345974934 /nfs/dbraw/zinc/97/49/34/345974934.db2.gz LGZHSSREQSCMRB-MXWKQRLJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1CCC1(C)C 307329294 345974946 /nfs/dbraw/zinc/97/49/46/345974946.db2.gz LGZHSSREQSCMRB-GMTAPVOTSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CCC1(C)C 307329294 345974948 /nfs/dbraw/zinc/97/49/48/345974948.db2.gz LGZHSSREQSCMRB-GMTAPVOTSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]2C)C[NH2+]1 307336364 345978653 /nfs/dbraw/zinc/97/86/53/345978653.db2.gz FDHKLSJSUJIQLW-CHWFTXMASA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 307336365 345978838 /nfs/dbraw/zinc/97/88/38/345978838.db2.gz FDHKLSJSUJIQLW-VLEAKVRGSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H]2CC[C@H]2C)C[NH2+]1 307336366 345979119 /nfs/dbraw/zinc/97/91/19/345979119.db2.gz FDHKLSJSUJIQLW-ZNSHCXBVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1CC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 307336367 345979200 /nfs/dbraw/zinc/97/92/00/345979200.db2.gz FDHKLSJSUJIQLW-ZRUFSTJUSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1N1C[C@H]2C[C@H]2C1 307338985 345980696 /nfs/dbraw/zinc/98/06/96/345980696.db2.gz HUQVPVFGJZIRNA-UKKRHICBSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1N1C[C@H]2C[C@H]2C1 307338981 345980743 /nfs/dbraw/zinc/98/07/43/345980743.db2.gz HUQVPVFGJZIRNA-MMWGEVLESA-N 1 3 180.295 1.079 10 0 ADAEHO CC1CC(N[C@H](C)[C@@H]2CC[NH2+]C2)C1 307339698 345981052 /nfs/dbraw/zinc/98/10/52/345981052.db2.gz IJWSKPKVVWOYAO-WYNUPADASA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CC(N[C@@H](C)[C@H]2CC[NH2+]C2)C1 307339696 345981116 /nfs/dbraw/zinc/98/11/16/345981116.db2.gz IJWSKPKVVWOYAO-SEQHWMEXSA-N 1 3 182.311 1.373 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 307343398 345983821 /nfs/dbraw/zinc/98/38/21/345983821.db2.gz XBQXVUASXREAJS-PXYAPMMASA-N 1 3 182.311 1.620 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 307343396 345983870 /nfs/dbraw/zinc/98/38/70/345983870.db2.gz XBQXVUASXREAJS-ASBRAAOASA-N 1 3 182.311 1.620 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 307343399 345983912 /nfs/dbraw/zinc/98/39/12/345983912.db2.gz XBQXVUASXREAJS-SZDPGLJBSA-N 1 3 182.311 1.620 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 307343397 345983924 /nfs/dbraw/zinc/98/39/24/345983924.db2.gz XBQXVUASXREAJS-ONMMUWTQSA-N 1 3 182.311 1.620 10 0 ADAEHO CCC1C[NH+]([C@H]2CCNC[C@H]2C)C1 307345375 345984177 /nfs/dbraw/zinc/98/41/77/345984177.db2.gz ATXOUEFVWFMRHE-KOLCDFICSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1CN([C@H]2CC[NH2+]C[C@H]2C)C1 307345375 345984174 /nfs/dbraw/zinc/98/41/74/345984174.db2.gz ATXOUEFVWFMRHE-KOLCDFICSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1CN([C@@H]2CC[NH2+]C[C@H]2C)C1 307345376 345984253 /nfs/dbraw/zinc/98/42/53/345984253.db2.gz ATXOUEFVWFMRHE-MWLCHTKSSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCNC[C@H]2C)C1 307345376 345984254 /nfs/dbraw/zinc/98/42/54/345984254.db2.gz ATXOUEFVWFMRHE-MWLCHTKSSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1CN([C@H]2CC[NH2+]C[C@@H]2C)C1 307345377 345984319 /nfs/dbraw/zinc/98/43/19/345984319.db2.gz ATXOUEFVWFMRHE-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1C[NH+]([C@H]2CCNC[C@@H]2C)C1 307345377 345984321 /nfs/dbraw/zinc/98/43/21/345984321.db2.gz ATXOUEFVWFMRHE-ONGXEEELSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1CN([C@@H]2CC[NH2+]C[C@@H]2C)C1 307345374 345984430 /nfs/dbraw/zinc/98/44/30/345984430.db2.gz ATXOUEFVWFMRHE-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCNC[C@@H]2C)C1 307345374 345984433 /nfs/dbraw/zinc/98/44/33/345984433.db2.gz ATXOUEFVWFMRHE-GXSJLCMTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@@H]1N1CC[C@@H]2C[NH2+]C[C@@H]21 307346699 345985377 /nfs/dbraw/zinc/98/53/77/345985377.db2.gz WZZVDAAGJDKAMS-VLEAKVRGSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]1CC[C@@H]1[N@@H+]1CC[C@@H]2CNC[C@@H]21 307346699 345985380 /nfs/dbraw/zinc/98/53/80/345985380.db2.gz WZZVDAAGJDKAMS-VLEAKVRGSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]1CC[C@@H]1[N@H+]1CC[C@@H]2CNC[C@@H]21 307346699 345985383 /nfs/dbraw/zinc/98/53/83/345985383.db2.gz WZZVDAAGJDKAMS-VLEAKVRGSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CC[C@H]1N1CC[C@@H]2C[NH2+]C[C@@H]21 307346698 345985547 /nfs/dbraw/zinc/98/55/47/345985547.db2.gz WZZVDAAGJDKAMS-DBIOUOCHSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@@H+]1CC[C@@H]2CNC[C@@H]21 307346698 345985548 /nfs/dbraw/zinc/98/55/48/345985548.db2.gz WZZVDAAGJDKAMS-DBIOUOCHSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CC[C@H]1[N@H+]1CC[C@@H]2CNC[C@@H]21 307346698 345985549 /nfs/dbraw/zinc/98/55/49/345985549.db2.gz WZZVDAAGJDKAMS-DBIOUOCHSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H]2CNC[C@@H]21 307346701 345985587 /nfs/dbraw/zinc/98/55/87/345985587.db2.gz WZZVDAAGJDKAMS-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@@H]2C[NH2+]C[C@@H]21 307346701 345985585 /nfs/dbraw/zinc/98/55/85/345985585.db2.gz WZZVDAAGJDKAMS-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]1CC[C@H]1N1CC[C@@H]2C[NH2+]C[C@@H]21 307346700 345985630 /nfs/dbraw/zinc/98/56/30/345985630.db2.gz WZZVDAAGJDKAMS-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]1CC[C@H]1[N@@H+]1CC[C@@H]2CNC[C@@H]21 307346700 345985632 /nfs/dbraw/zinc/98/56/32/345985632.db2.gz WZZVDAAGJDKAMS-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]1CC[C@H]1[N@H+]1CC[C@@H]2CNC[C@@H]21 307346700 345985634 /nfs/dbraw/zinc/98/56/34/345985634.db2.gz WZZVDAAGJDKAMS-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]1CN(C)CC/C1=C\CC[NH3+] 307350479 345987718 /nfs/dbraw/zinc/98/77/18/345987718.db2.gz PNUIUYPEJMCHLA-YNYSXPKMSA-N 1 3 168.284 1.233 10 0 ADAEHO C[C@@H]1CN(C)CC/C1=C\CC[NH3+] 307350478 345987831 /nfs/dbraw/zinc/98/78/31/345987831.db2.gz PNUIUYPEJMCHLA-BZFUBLJMSA-N 1 3 168.284 1.233 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CNC2)[C@@H](C)[C@H]1C 307351335 345988031 /nfs/dbraw/zinc/98/80/31/345988031.db2.gz UIQGBYFZPBFMLY-UTLUCORTSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CNC2)[C@H](C)[C@H]1C 307351333 345988322 /nfs/dbraw/zinc/98/83/22/345988322.db2.gz UIQGBYFZPBFMLY-KXUCPTDWSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CNC2)[C@H](C)[C@H]1C 307351333 345988326 /nfs/dbraw/zinc/98/83/26/345988326.db2.gz UIQGBYFZPBFMLY-KXUCPTDWSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CNC2)[C@H](C)[C@@H]1C 307351334 345988435 /nfs/dbraw/zinc/98/84/35/345988435.db2.gz UIQGBYFZPBFMLY-OPRDCNLKSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CNC2)[C@H](C)[C@@H]1C 307351334 345988440 /nfs/dbraw/zinc/98/84/40/345988440.db2.gz UIQGBYFZPBFMLY-OPRDCNLKSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CNC2)[C@@H](C)[C@@H]1C 307351332 345988481 /nfs/dbraw/zinc/98/84/81/345988481.db2.gz UIQGBYFZPBFMLY-BBBLOLIVSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CNC2)[C@@H](C)[C@@H]1C 307351332 345988484 /nfs/dbraw/zinc/98/84/84/345988484.db2.gz UIQGBYFZPBFMLY-BBBLOLIVSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@H+]1[C@H]1CC[C@H]1C 307351934 345988682 /nfs/dbraw/zinc/98/86/82/345988682.db2.gz LFRMQIWVVXHCCB-YTWAJWBKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@H](CN)C[N@@H+]1[C@H]1CC[C@H]1C 307351934 345988683 /nfs/dbraw/zinc/98/86/83/345988683.db2.gz LFRMQIWVVXHCCB-YTWAJWBKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@@H+]1C[C@H](CN)C[C@H]1C 307351935 345988756 /nfs/dbraw/zinc/98/87/56/345988756.db2.gz LFRMQIWVVXHCCB-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H]1[N@H+]1C[C@H](CN)C[C@H]1C 307351935 345988758 /nfs/dbraw/zinc/98/87/58/345988758.db2.gz LFRMQIWVVXHCCB-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C[NH+]2CCCCCC2)CNC1 307354577 345990500 /nfs/dbraw/zinc/99/05/00/345990500.db2.gz XJEMXVZLGVAFEZ-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CC1(CN2CCCCCC2)C[NH2+]C1 307354577 345990503 /nfs/dbraw/zinc/99/05/03/345990503.db2.gz XJEMXVZLGVAFEZ-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C[C@@H]1CN 307356949 345991610 /nfs/dbraw/zinc/99/16/10/345991610.db2.gz CEEFUUVVYBJUPJ-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@H+](C2CC2)C[C@@H]1CN 307356949 345991612 /nfs/dbraw/zinc/99/16/12/345991612.db2.gz CEEFUUVVYBJUPJ-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](C)N(C2CC2)C[C@@H]1C[NH3+] 307356949 345991614 /nfs/dbraw/zinc/99/16/14/345991614.db2.gz CEEFUUVVYBJUPJ-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C[C@H]1CN 307356958 345991667 /nfs/dbraw/zinc/99/16/67/345991667.db2.gz CEEFUUVVYBJUPJ-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](C)[N@H+](C2CC2)C[C@H]1CN 307356958 345991669 /nfs/dbraw/zinc/99/16/69/345991669.db2.gz CEEFUUVVYBJUPJ-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H](C)N(C2CC2)C[C@H]1C[NH3+] 307356958 345991672 /nfs/dbraw/zinc/99/16/72/345991672.db2.gz CEEFUUVVYBJUPJ-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@@H+]1C1CC1 307356962 345991735 /nfs/dbraw/zinc/99/17/35/345991735.db2.gz CEEFUUVVYBJUPJ-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@H+]1C1CC1 307356962 345991738 /nfs/dbraw/zinc/99/17/38/345991738.db2.gz CEEFUUVVYBJUPJ-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@@H](C[NH3+])CN1C1CC1 307356962 345991740 /nfs/dbraw/zinc/99/17/40/345991740.db2.gz CEEFUUVVYBJUPJ-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@@H+]1C1CC1 307356954 345991905 /nfs/dbraw/zinc/99/19/05/345991905.db2.gz CEEFUUVVYBJUPJ-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@H+]1C1CC1 307356954 345991907 /nfs/dbraw/zinc/99/19/07/345991907.db2.gz CEEFUUVVYBJUPJ-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@H](C)[C@H](C[NH3+])CN1C1CC1 307356954 345991909 /nfs/dbraw/zinc/99/19/09/345991909.db2.gz CEEFUUVVYBJUPJ-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N[C@H]1CCCSC1 307357625 345992233 /nfs/dbraw/zinc/99/22/33/345992233.db2.gz WYCVPSIVEKMUHH-YIZRAAEISA-N 1 3 188.340 1.207 10 0 ADAEHO CCC1(C)C[NH+](C2CCNCC2)C1 307357974 345992285 /nfs/dbraw/zinc/99/22/85/345992285.db2.gz XSFGTYYEOIXUDO-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCSC1 307357624 345992352 /nfs/dbraw/zinc/99/23/52/345992352.db2.gz WYCVPSIVEKMUHH-XHNCKOQMSA-N 1 3 188.340 1.207 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[C@H]3C[C@H]32)C1 307357907 345992521 /nfs/dbraw/zinc/99/25/21/345992521.db2.gz XOCOITVOHVICHW-YBXAARCKSA-N 1 3 194.322 1.454 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCCSC1 307357622 345992533 /nfs/dbraw/zinc/99/25/33/345992533.db2.gz WYCVPSIVEKMUHH-CIUDSAMLSA-N 1 3 188.340 1.207 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN([C@@H]2CC[C@@H]3C[C@@H]32)C1 307357901 345992542 /nfs/dbraw/zinc/99/25/42/345992542.db2.gz XOCOITVOHVICHW-LDMBFOFVSA-N 1 3 194.322 1.454 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CN[C@@H](C)C1 307451019 346048126 /nfs/dbraw/zinc/04/81/26/346048126.db2.gz PPEXOSMAYFICFM-CIUDSAMLSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H](N)C2)C[C@H]1C 307359473 345993475 /nfs/dbraw/zinc/99/34/75/345993475.db2.gz FGGPRNUTHMTLRZ-KJPMQGKISA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](N)C2)[C@@H]1C 307359475 345993580 /nfs/dbraw/zinc/99/35/80/345993580.db2.gz FGGPRNUTHMTLRZ-NZFPMDFQSA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](N)C2)[C@@H]1C 307359472 345993613 /nfs/dbraw/zinc/99/36/13/345993613.db2.gz FGGPRNUTHMTLRZ-ILAIQSSSSA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H](N)C2)C[C@H]1C 307359477 345993627 /nfs/dbraw/zinc/99/36/27/345993627.db2.gz FGGPRNUTHMTLRZ-QGKZMRNZSA-N 1 3 182.311 1.500 10 0 ADAEHO CCCN1C[C@@H]([NH3+])[C@@H](CC)C1 307364134 345996177 /nfs/dbraw/zinc/99/61/77/345996177.db2.gz JZOYJOMSBMJFDS-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCN1C[C@H](CC)[C@@H]([NH3+])C1 307364135 345996215 /nfs/dbraw/zinc/99/62/15/345996215.db2.gz JZOYJOMSBMJFDS-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCN1C[C@@H]([NH3+])[C@H](CC)C1 307364136 345996409 /nfs/dbraw/zinc/99/64/09/345996409.db2.gz JZOYJOMSBMJFDS-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCCN1C[C@H]([NH3+])[C@H](CC)C1 307364133 345996453 /nfs/dbraw/zinc/99/64/53/345996453.db2.gz JZOYJOMSBMJFDS-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[C@H]1C 307369978 345999490 /nfs/dbraw/zinc/99/94/90/345999490.db2.gz OYRMJWSVIXSGOV-VPOLOUISSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[C@H]1C 307369977 345999645 /nfs/dbraw/zinc/99/96/45/345999645.db2.gz OYRMJWSVIXSGOV-RCWTZXSCSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1CC[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C 307369979 345999836 /nfs/dbraw/zinc/99/98/36/345999836.db2.gz OYRMJWSVIXSGOV-ZNSHCXBVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C 307369976 345999919 /nfs/dbraw/zinc/99/99/19/345999919.db2.gz OYRMJWSVIXSGOV-CHWFTXMASA-N 1 3 182.311 1.515 10 0 ADAEHO CC1(C)[C@H]2C[N@H+](CCC3(N)CC3)C[C@H]21 307370393 346000200 /nfs/dbraw/zinc/00/02/00/346000200.db2.gz PIYWMYMADCMXLO-AOOOYVTPSA-N 1 3 194.322 1.456 10 0 ADAEHO CC1(C)[C@H]2C[N@@H+](CCC3(N)CC3)C[C@H]21 307370393 346000202 /nfs/dbraw/zinc/00/02/02/346000202.db2.gz PIYWMYMADCMXLO-AOOOYVTPSA-N 1 3 194.322 1.456 10 0 ADAEHO C[C@@H]1CCN1C[C@]12CCC[C@H]1C[NH2+]C2 307370676 346000300 /nfs/dbraw/zinc/00/03/00/346000300.db2.gz PDSVOFNIKKDSRZ-GRYCIOLGSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H]1CCN1C[C@]12CCC[C@@H]1C[NH2+]C2 307370678 346000337 /nfs/dbraw/zinc/00/03/37/346000337.db2.gz PDSVOFNIKKDSRZ-IJLUTSLNSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H]1CCN1C[C@@]12CCC[C@H]1C[NH2+]C2 307370681 346000423 /nfs/dbraw/zinc/00/04/23/346000423.db2.gz PDSVOFNIKKDSRZ-WOPDTQHZSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H]1CCN1C[C@@]12CCC[C@@H]1C[NH2+]C2 307370680 346000520 /nfs/dbraw/zinc/00/05/20/346000520.db2.gz PDSVOFNIKKDSRZ-UTUOFQBUSA-N 1 3 194.322 1.470 10 0 ADAEHO CC(C)([NH3+])CCN1CC(C)(C)C1 307376243 346003863 /nfs/dbraw/zinc/00/38/63/346003863.db2.gz VHCJKLKXPDWETO-UHFFFAOYSA-N 1 3 170.300 1.456 10 0 ADAEHO C1CC([NH+]2C3CCC2CC3)CCN1 307382014 346006609 /nfs/dbraw/zinc/00/66/09/346006609.db2.gz AZJUYKBESGGACF-UHFFFAOYSA-N 1 3 180.295 1.365 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)[C@@H]1C 307383344 346007389 /nfs/dbraw/zinc/00/73/89/346007389.db2.gz HNBGSNKVZVAPBG-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C2CCNCC2)[C@@H]1C 307383352 346007530 /nfs/dbraw/zinc/00/75/30/346007530.db2.gz HNBGSNKVZVAPBG-KKZNHRDASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]C2CCNCC2)C[C@H]1C 307383366 346007544 /nfs/dbraw/zinc/00/75/44/346007544.db2.gz HNBGSNKVZVAPBG-YWVKMMECSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]C1CCNCC1 307383359 346007562 /nfs/dbraw/zinc/00/75/62/346007562.db2.gz HNBGSNKVZVAPBG-WCABBAIRSA-N 1 3 182.311 1.373 10 0 ADAEHO N[C@@H](CC[NH3+])c1ccc2cc[nH]c2c1 307383628 346007995 /nfs/dbraw/zinc/00/79/95/346007995.db2.gz COGFPBKNNFCRHS-JTQLQIEISA-N 1 3 189.262 1.517 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CC3(CCC3)C2)C1 307388463 346010599 /nfs/dbraw/zinc/01/05/99/346010599.db2.gz OFBNUTRWOADACR-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N2CC3(CCC3)C2)C1 307388460 346010765 /nfs/dbraw/zinc/01/07/65/346010765.db2.gz OFBNUTRWOADACR-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](N2CC3(CCC3)C2)C1 307388462 346010777 /nfs/dbraw/zinc/01/07/77/346010777.db2.gz OFBNUTRWOADACR-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@H]1CC[C@H](N2CC3(CCC3)C2)C1 307388461 346010864 /nfs/dbraw/zinc/01/08/64/346010864.db2.gz OFBNUTRWOADACR-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CNC2)C(C)(C)C1 307391378 346012481 /nfs/dbraw/zinc/01/24/81/346012481.db2.gz WBNBEFUJJHATRN-VIFPVBQESA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CNC2)C(C)(C)C1 307391378 346012483 /nfs/dbraw/zinc/01/24/83/346012483.db2.gz WBNBEFUJJHATRN-VIFPVBQESA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@H+](CC2CNC2)C(C)(C)C1 307391377 346012537 /nfs/dbraw/zinc/01/25/37/346012537.db2.gz WBNBEFUJJHATRN-SECBINFHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CNC2)C(C)(C)C1 307391377 346012539 /nfs/dbraw/zinc/01/25/39/346012539.db2.gz WBNBEFUJJHATRN-SECBINFHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[C@H](NC2CCCC2)C[NH2+]1 307393175 346013396 /nfs/dbraw/zinc/01/33/96/346013396.db2.gz LTBXAQSPLMTSTJ-ONGXEEELSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]1CC[C@H](NC2CCCC2)C[NH2+]1 307393172 346013404 /nfs/dbraw/zinc/01/34/04/346013404.db2.gz LTBXAQSPLMTSTJ-KOLCDFICSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]1CC[C@@H](NC2CCCC2)C[NH2+]1 307393173 346013675 /nfs/dbraw/zinc/01/36/75/346013675.db2.gz LTBXAQSPLMTSTJ-MWLCHTKSSA-N 1 3 182.311 1.659 10 0 ADAEHO CC1CC(N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307406474 346023815 /nfs/dbraw/zinc/02/38/15/346023815.db2.gz MPZBPVDHQKIEQU-DJRKXVOMSA-N 1 3 180.295 1.079 10 0 ADAEHO CC(C)[N@@H+]1CC[C@]2(CCC[C@@H]2N)C1 307408749 346024689 /nfs/dbraw/zinc/02/46/89/346024689.db2.gz DJQKVTNRWLBFCN-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@H+]1CC[C@]2(CCC[C@@H]2N)C1 307408749 346024690 /nfs/dbraw/zinc/02/46/90/346024690.db2.gz DJQKVTNRWLBFCN-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@]2(CCC[C@@H]2N)C1 307408747 346024728 /nfs/dbraw/zinc/02/47/28/346024728.db2.gz DJQKVTNRWLBFCN-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@H+]1CC[C@@]2(CCC[C@@H]2N)C1 307408747 346024729 /nfs/dbraw/zinc/02/47/29/346024729.db2.gz DJQKVTNRWLBFCN-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@]2(CCC[C@H]2N)C1 307408745 346024808 /nfs/dbraw/zinc/02/48/08/346024808.db2.gz DJQKVTNRWLBFCN-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@H+]1CC[C@@]2(CCC[C@H]2N)C1 307408745 346024811 /nfs/dbraw/zinc/02/48/11/346024811.db2.gz DJQKVTNRWLBFCN-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@@H+]1CC[C@]2(CCC[C@H]2N)C1 307408743 346024889 /nfs/dbraw/zinc/02/48/89/346024889.db2.gz DJQKVTNRWLBFCN-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@H+]1CC[C@]2(CCC[C@H]2N)C1 307408743 346024892 /nfs/dbraw/zinc/02/48/92/346024892.db2.gz DJQKVTNRWLBFCN-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1C[C@H]([NH+]2CCCC2)CCN1 307419870 346031063 /nfs/dbraw/zinc/03/10/63/346031063.db2.gz ILHGPOMBEKSZRD-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H]1C[C@@H]([NH+]2CCCC2)CCN1 307419868 346031125 /nfs/dbraw/zinc/03/11/25/346031125.db2.gz ILHGPOMBEKSZRD-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1C[C@@H]([NH+]2CCCC2)CCN1 307419866 346031176 /nfs/dbraw/zinc/03/11/76/346031176.db2.gz ILHGPOMBEKSZRD-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1C[C@H]([NH+]2CCCC2)CCN1 307419865 346031200 /nfs/dbraw/zinc/03/12/00/346031200.db2.gz ILHGPOMBEKSZRD-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[C@H](N)C[NH3+] 307420417 346031585 /nfs/dbraw/zinc/03/15/85/346031585.db2.gz IVDWOCAZRKNLOL-IWSPIJDZSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[C@@H](N)C[NH3+] 307420414 346031635 /nfs/dbraw/zinc/03/16/35/346031635.db2.gz IVDWOCAZRKNLOL-HLTSFMKQSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[C@@H](N)C[NH3+] 307420419 346031699 /nfs/dbraw/zinc/03/16/99/346031699.db2.gz IVDWOCAZRKNLOL-VGMNWLOBSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[C@H](N)C[NH3+] 307420416 346031717 /nfs/dbraw/zinc/03/17/17/346031717.db2.gz IVDWOCAZRKNLOL-HRDYMLBCSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+](C)C(C)(C)C)CCN1 307429516 346035655 /nfs/dbraw/zinc/03/56/55/346035655.db2.gz VGNASHWMLAYPMP-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+](C)C(C)(C)C)CCN1 307429516 346035656 /nfs/dbraw/zinc/03/56/56/346035656.db2.gz VGNASHWMLAYPMP-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+](C)C(C)(C)C)CCN1 307429517 346035687 /nfs/dbraw/zinc/03/56/87/346035687.db2.gz VGNASHWMLAYPMP-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+](C)C(C)(C)C)CCN1 307429517 346035689 /nfs/dbraw/zinc/03/56/89/346035689.db2.gz VGNASHWMLAYPMP-UWVGGRQHSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)C)CCN1 307429519 346035820 /nfs/dbraw/zinc/03/58/20/346035820.db2.gz VGNASHWMLAYPMP-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)C)CCN1 307429519 346035824 /nfs/dbraw/zinc/03/58/24/346035824.db2.gz VGNASHWMLAYPMP-ZJUUUORDSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@H]1C[C@H]([N@H+](C)C(C)(C)C)CCN1 307429518 346035861 /nfs/dbraw/zinc/03/58/61/346035861.db2.gz VGNASHWMLAYPMP-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+](C)C(C)(C)C)CCN1 307429518 346035863 /nfs/dbraw/zinc/03/58/63/346035863.db2.gz VGNASHWMLAYPMP-VHSXEESVSA-N 1 3 184.327 1.857 10 0 ADAEHO C1CCC(N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307431726 346036242 /nfs/dbraw/zinc/03/62/42/346036242.db2.gz XGRRLHPMEBOXBX-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CCC([N@@H+]2CC[C@@H]3CNC[C@@H]32)C1 307431726 346036245 /nfs/dbraw/zinc/03/62/45/346036245.db2.gz XGRRLHPMEBOXBX-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CCC([N@H+]2CC[C@@H]3CNC[C@@H]32)C1 307431726 346036247 /nfs/dbraw/zinc/03/62/47/346036247.db2.gz XGRRLHPMEBOXBX-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C[N@H+]([C@@H]1CCCCNC1)C(C)(C)C 307431769 346036370 /nfs/dbraw/zinc/03/63/70/346036370.db2.gz XQTDSMWLHCIMFP-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[N@@H+]([C@@H]1CCCCNC1)C(C)(C)C 307431769 346036371 /nfs/dbraw/zinc/03/63/71/346036371.db2.gz XQTDSMWLHCIMFP-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[N@H+]([C@H]1CCCCNC1)C(C)(C)C 307431768 346036389 /nfs/dbraw/zinc/03/63/89/346036389.db2.gz XQTDSMWLHCIMFP-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[N@@H+]([C@H]1CCCCNC1)C(C)(C)C 307431768 346036392 /nfs/dbraw/zinc/03/63/92/346036392.db2.gz XQTDSMWLHCIMFP-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO [NH3+][C@H]1CCCCC[C@H]1CN1CCC1 307436403 346038993 /nfs/dbraw/zinc/03/89/93/346038993.db2.gz SXQHMKIBBRFMPU-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[C@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 307436519 346039158 /nfs/dbraw/zinc/03/91/58/346039158.db2.gz UBJLSIUTNQNRTQ-GKDVJIACSA-N 1 3 182.311 1.310 10 0 ADAEHO [NH3+][C@H]1CCCCC[C@@H]1CN1CCC1 307436401 346039165 /nfs/dbraw/zinc/03/91/65/346039165.db2.gz SXQHMKIBBRFMPU-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 307436521 346039309 /nfs/dbraw/zinc/03/93/09/346039309.db2.gz UBJLSIUTNQNRTQ-NFLHVTIKSA-N 1 3 182.311 1.310 10 0 ADAEHO [NH3+][C@@H]1CCCCC[C@@H]1CN1CCC1 307436399 346039329 /nfs/dbraw/zinc/03/93/29/346039329.db2.gz SXQHMKIBBRFMPU-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+][C@@H]1CCCCC[C@H]1CN1CCC1 307436405 346039353 /nfs/dbraw/zinc/03/93/53/346039353.db2.gz SXQHMKIBBRFMPU-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO NC1CC([N@@H+]2CC[C@@H]3CCC[C@H]32)C1 307438883 346040744 /nfs/dbraw/zinc/04/07/44/346040744.db2.gz MWFUGFNMGNPGQD-IDWGSYCQSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2CC[C@@H]3CCC[C@H]32)C1 307438883 346040746 /nfs/dbraw/zinc/04/07/46/346040746.db2.gz MWFUGFNMGNPGQD-IDWGSYCQSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@@H+]2CC[C@H]3CCC[C@@H]32)C1 307438885 346040793 /nfs/dbraw/zinc/04/07/93/346040793.db2.gz MWFUGFNMGNPGQD-SFXRXQKFSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2CC[C@H]3CCC[C@@H]32)C1 307438885 346040797 /nfs/dbraw/zinc/04/07/97/346040797.db2.gz MWFUGFNMGNPGQD-SFXRXQKFSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@@H+]2CC[C@@H]3CCC[C@@H]32)C1 307438884 346040862 /nfs/dbraw/zinc/04/08/62/346040862.db2.gz MWFUGFNMGNPGQD-PMUOWJKOSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2CC[C@@H]3CCC[C@@H]32)C1 307438884 346040864 /nfs/dbraw/zinc/04/08/64/346040864.db2.gz MWFUGFNMGNPGQD-PMUOWJKOSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@@H+]2CC[C@H]3CCC[C@H]32)C1 307438882 346040941 /nfs/dbraw/zinc/04/09/41/346040941.db2.gz MWFUGFNMGNPGQD-AGVGLQIMSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2CC[C@H]3CCC[C@H]32)C1 307438882 346040944 /nfs/dbraw/zinc/04/09/44/346040944.db2.gz MWFUGFNMGNPGQD-AGVGLQIMSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([NH+]2C[C@@H]3CCCC[C@H]3C2)C1 307440969 346041865 /nfs/dbraw/zinc/04/18/65/346041865.db2.gz YTCLITZAEVPDTA-JYBOHDQNSA-N 1 3 194.322 1.598 10 0 ADAEHO NC1CC([NH+]2C[C@H]3CCCC[C@@H]3C2)C1 307440970 346041895 /nfs/dbraw/zinc/04/18/95/346041895.db2.gz YTCLITZAEVPDTA-QYNFOATHSA-N 1 3 194.322 1.598 10 0 ADAEHO CC1C[NH+]([C@@H]2C[C@@H](N)C2(C)C)C1 307444433 346043799 /nfs/dbraw/zinc/04/37/99/346043799.db2.gz DJXXZVXXLMWBNV-RKDXNWHRSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H](C[NH3+])[C@H](F)c1cnccc1N 307444527 346043809 /nfs/dbraw/zinc/04/38/09/346043809.db2.gz DRWRTTUPPNGSCE-MUWHJKNJSA-N 1 3 183.230 1.269 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](F)c1cnccc1N 307444523 346043864 /nfs/dbraw/zinc/04/38/64/346043864.db2.gz DRWRTTUPPNGSCE-HZGVNTEJSA-N 1 3 183.230 1.269 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](F)c1cnccc1N 307444525 346043911 /nfs/dbraw/zinc/04/39/11/346043911.db2.gz DRWRTTUPPNGSCE-IMTBSYHQSA-N 1 3 183.230 1.269 10 0 ADAEHO CC1C[NH+]([C@H]2C[C@@H](N)C2(C)C)C1 307444430 346043942 /nfs/dbraw/zinc/04/39/42/346043942.db2.gz DJXXZVXXLMWBNV-BDAKNGLRSA-N 1 3 168.284 1.064 10 0 ADAEHO CC1C[NH+]([C@H]2C[C@H](N)C2(C)C)C1 307444432 346044103 /nfs/dbraw/zinc/04/41/03/346044103.db2.gz DJXXZVXXLMWBNV-IUCAKERBSA-N 1 3 168.284 1.064 10 0 ADAEHO CC(F)([C@H]1CCCN1)[C@H]1CCC[NH2+]1 307449725 346047057 /nfs/dbraw/zinc/04/70/57/346047057.db2.gz BJECBSUCWWABLQ-RKDXNWHRSA-N 1 3 186.274 1.219 10 0 ADAEHO C[C@@](F)([C@@H]1CCC[NH2+]1)[C@H]1CCCN1 307449722 346047059 /nfs/dbraw/zinc/04/70/59/346047059.db2.gz BJECBSUCWWABLQ-MYJAWHEDSA-N 1 3 186.274 1.219 10 0 ADAEHO C[C@@](F)([C@@H]1CCCN1)[C@H]1CCC[NH2+]1 307449722 346047060 /nfs/dbraw/zinc/04/70/60/346047060.db2.gz BJECBSUCWWABLQ-MYJAWHEDSA-N 1 3 186.274 1.219 10 0 ADAEHO CC(F)([C@@H]1CCCN1)[C@@H]1CCC[NH2+]1 307449719 346047223 /nfs/dbraw/zinc/04/72/23/346047223.db2.gz BJECBSUCWWABLQ-IUCAKERBSA-N 1 3 186.274 1.219 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CN[C@@H](C)C1 307451021 346048144 /nfs/dbraw/zinc/04/81/44/346048144.db2.gz PPEXOSMAYFICFM-XHNCKOQMSA-N 1 3 156.273 1.125 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CN[C@H](C)C1 307451022 346048151 /nfs/dbraw/zinc/04/81/51/346048151.db2.gz PPEXOSMAYFICFM-YIZRAAEISA-N 1 3 156.273 1.125 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CN[C@H](C)C1 307451020 346048228 /nfs/dbraw/zinc/04/82/28/346048228.db2.gz PPEXOSMAYFICFM-DJLDLDEBSA-N 1 3 156.273 1.125 10 0 ADAEHO CC1CCN(CC2(C)C[NH2+]C2)CC1 307453583 346049277 /nfs/dbraw/zinc/04/92/77/346049277.db2.gz TUEAGWRPBYBZQU-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CC1CC[NH+](CC2(C)CNC2)CC1 307453583 346049281 /nfs/dbraw/zinc/04/92/81/346049281.db2.gz TUEAGWRPBYBZQU-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CCC[C@@H](N)C1 307458075 346052555 /nfs/dbraw/zinc/05/25/55/346052555.db2.gz BUYUULUNKNINLZ-WRWGMCAJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[C@@H](N)C1 307458075 346052558 /nfs/dbraw/zinc/05/25/58/346052558.db2.gz BUYUULUNKNINLZ-WRWGMCAJSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CCC[C@H](N)C1 307458052 346052682 /nfs/dbraw/zinc/05/26/82/346052682.db2.gz BUYUULUNKNINLZ-NOOOWODRSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[C@H](N)C1 307458052 346052685 /nfs/dbraw/zinc/05/26/85/346052685.db2.gz BUYUULUNKNINLZ-NOOOWODRSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](N)C2)[C@@H]1C 307458064 346052838 /nfs/dbraw/zinc/05/28/38/346052838.db2.gz BUYUULUNKNINLZ-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](N)C2)[C@@H]1C 307458064 346052841 /nfs/dbraw/zinc/05/28/41/346052841.db2.gz BUYUULUNKNINLZ-WISYIIOYSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](N)C2)[C@@H]1C 307458043 346052956 /nfs/dbraw/zinc/05/29/56/346052956.db2.gz BUYUULUNKNINLZ-DDHJBXDOSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](N)C2)[C@@H]1C 307458043 346052957 /nfs/dbraw/zinc/05/29/57/346052957.db2.gz BUYUULUNKNINLZ-DDHJBXDOSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[C@@H](C)N[C@H]1CCCC[NH2+]C1 307460844 346054350 /nfs/dbraw/zinc/05/43/50/346054350.db2.gz INTSEKFRJCMTIH-MNOVXSKESA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@H](C)N[C@@H]1CCCC[NH2+]C1 307460847 346054388 /nfs/dbraw/zinc/05/43/88/346054388.db2.gz INTSEKFRJCMTIH-WDEREUQCSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@@H](C)N[C@@H]1CCCC[NH2+]C1 307460843 346054408 /nfs/dbraw/zinc/05/44/08/346054408.db2.gz INTSEKFRJCMTIH-GHMZBOCLSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[C@H](C)N[C@H]1CCCC[NH2+]C1 307460846 346054500 /nfs/dbraw/zinc/05/45/00/346054500.db2.gz INTSEKFRJCMTIH-QWRGUYRKSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@@H+]1CC1(C)CNC1 307468768 346058614 /nfs/dbraw/zinc/05/86/14/346058614.db2.gz NFKLPHIJLSGSEV-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H](C)CC[N@H+]1CC1(C)CNC1 307468768 346058618 /nfs/dbraw/zinc/05/86/18/346058618.db2.gz NFKLPHIJLSGSEV-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@H+](CC2(C)CNC2)[C@@H]1C 307468767 346058635 /nfs/dbraw/zinc/05/86/35/346058635.db2.gz NFKLPHIJLSGSEV-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2(C)CNC2)[C@@H]1C 307468767 346058640 /nfs/dbraw/zinc/05/86/40/346058640.db2.gz NFKLPHIJLSGSEV-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@H+](CC2(C)CNC2)[C@H]1C 307468766 346058730 /nfs/dbraw/zinc/05/87/30/346058730.db2.gz NFKLPHIJLSGSEV-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2(C)CNC2)[C@H]1C 307468766 346058732 /nfs/dbraw/zinc/05/87/32/346058732.db2.gz NFKLPHIJLSGSEV-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@H+](CC2(C)CNC2)[C@@H]1C 307468765 346058857 /nfs/dbraw/zinc/05/88/57/346058857.db2.gz NFKLPHIJLSGSEV-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC2(C)CNC2)[C@@H]1C 307468765 346058859 /nfs/dbraw/zinc/05/88/59/346058859.db2.gz NFKLPHIJLSGSEV-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C1(N2CC[C@H]([NH3+])C2)CC1 307472566 346060967 /nfs/dbraw/zinc/06/09/67/346060967.db2.gz ZSEOSBNZCJCVRH-VIFPVBQESA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)C1(N2CC[C@@H]([NH3+])C2)CC1 307472564 346061067 /nfs/dbraw/zinc/06/10/67/346061067.db2.gz ZSEOSBNZCJCVRH-SECBINFHSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CCC[C@@H]([NH3+])C1 307474027 346062077 /nfs/dbraw/zinc/06/20/77/346062077.db2.gz ITYBLCFAIYOFDW-OPRDCNLKSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCN1[C@H]1CCC[C@@H]([NH3+])C1 307474025 346062159 /nfs/dbraw/zinc/06/21/59/346062159.db2.gz ITYBLCFAIYOFDW-BBBLOLIVSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CCC[C@H]([NH3+])C1 307474026 346062187 /nfs/dbraw/zinc/06/21/87/346062187.db2.gz ITYBLCFAIYOFDW-KXUCPTDWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CCN1[C@H]1CCC[C@H]([NH3+])C1 307474028 346062242 /nfs/dbraw/zinc/06/22/42/346062242.db2.gz ITYBLCFAIYOFDW-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO CC(C)(N)[C@H](F)[C@H]1CCCC[NH2+]1 307474730 346062566 /nfs/dbraw/zinc/06/25/66/346062566.db2.gz XDMJVYSNODCNKE-HTQZYQBOSA-N 1 3 174.263 1.204 10 0 ADAEHO CC(C)(N)[C@@H](F)[C@@H]1CCCC[NH2+]1 307474739 346062629 /nfs/dbraw/zinc/06/26/29/346062629.db2.gz XDMJVYSNODCNKE-YUMQZZPRSA-N 1 3 174.263 1.204 10 0 ADAEHO CC(C)(N)[C@@H](F)[C@H]1CCCC[NH2+]1 307474737 346062714 /nfs/dbraw/zinc/06/27/14/346062714.db2.gz XDMJVYSNODCNKE-SFYZADRCSA-N 1 3 174.263 1.204 10 0 ADAEHO CC(C)(N)[C@H](F)[C@@H]1CCCC[NH2+]1 307474733 346062825 /nfs/dbraw/zinc/06/28/25/346062825.db2.gz XDMJVYSNODCNKE-JGVFFNPUSA-N 1 3 174.263 1.204 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN1c1ccncc1 307478817 346065144 /nfs/dbraw/zinc/06/51/44/346065144.db2.gz NQUWMBXIFPRGIP-DTWKUNHWSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1c1ccncc1 307478820 346065155 /nfs/dbraw/zinc/06/51/55/346065155.db2.gz NQUWMBXIFPRGIP-RKDXNWHRSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1c1ccncc1 307478816 346065201 /nfs/dbraw/zinc/06/52/01/346065201.db2.gz NQUWMBXIFPRGIP-BDAKNGLRSA-N 1 3 177.251 1.008 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CN1c1ccncc1 307478819 346065207 /nfs/dbraw/zinc/06/52/07/346065207.db2.gz NQUWMBXIFPRGIP-IUCAKERBSA-N 1 3 177.251 1.008 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+]C1CC(N)C1 307482478 346066707 /nfs/dbraw/zinc/06/67/07/346066707.db2.gz QVZBAQSPTCSXRT-HACHORDNSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)CC[C@@H]1NC1CC([NH3+])C1 307482478 346066710 /nfs/dbraw/zinc/06/67/10/346066710.db2.gz QVZBAQSPTCSXRT-HACHORDNSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)CC[C@H]1[NH2+]C1CC(N)C1 307482477 346066901 /nfs/dbraw/zinc/06/69/01/346066901.db2.gz QVZBAQSPTCSXRT-AMDVSUOASA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)CC[C@H]1NC1CC([NH3+])C1 307482477 346066906 /nfs/dbraw/zinc/06/69/06/346066906.db2.gz QVZBAQSPTCSXRT-AMDVSUOASA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 307493940 346073445 /nfs/dbraw/zinc/07/34/45/346073445.db2.gz IHSFMLQXQNHMHC-WISYIIOYSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 307493940 346073448 /nfs/dbraw/zinc/07/34/48/346073448.db2.gz IHSFMLQXQNHMHC-WISYIIOYSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 307493942 346073467 /nfs/dbraw/zinc/07/34/67/346073467.db2.gz IHSFMLQXQNHMHC-WRWGMCAJSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 307493942 346073470 /nfs/dbraw/zinc/07/34/70/346073470.db2.gz IHSFMLQXQNHMHC-WRWGMCAJSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 307493939 346073479 /nfs/dbraw/zinc/07/34/79/346073479.db2.gz IHSFMLQXQNHMHC-NOOOWODRSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 307493939 346073483 /nfs/dbraw/zinc/07/34/83/346073483.db2.gz IHSFMLQXQNHMHC-NOOOWODRSA-N 1 3 194.322 1.611 10 0 ADAEHO C1CC([N@@H+]2CCC3(CC3)C2)CCN1 307495947 346074680 /nfs/dbraw/zinc/07/46/80/346074680.db2.gz JUOLTEJHSZVQEC-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO C1CC([N@H+]2CCC3(CC3)C2)CCN1 307495947 346074682 /nfs/dbraw/zinc/07/46/82/346074682.db2.gz JUOLTEJHSZVQEC-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 307498176 346075314 /nfs/dbraw/zinc/07/53/14/346075314.db2.gz GSCCWOMGMIBUDK-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 307498177 346075477 /nfs/dbraw/zinc/07/54/77/346075477.db2.gz GSCCWOMGMIBUDK-KXUCPTDWSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC1([NH+]2CCCNCCC2)CC1 307497574 346075509 /nfs/dbraw/zinc/07/55/09/346075509.db2.gz DQAFJWWXQLYTND-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CCC1(N2CCC[NH2+]CCC2)CC1 307497574 346075510 /nfs/dbraw/zinc/07/55/10/346075510.db2.gz DQAFJWWXQLYTND-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 307498178 346075523 /nfs/dbraw/zinc/07/55/23/346075523.db2.gz GSCCWOMGMIBUDK-LPEHRKFASA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 307498179 346075819 /nfs/dbraw/zinc/07/58/19/346075819.db2.gz GSCCWOMGMIBUDK-UTLUCORTSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1C[N@H+](CCCN)C(C)(C)C1 307498324 346075892 /nfs/dbraw/zinc/07/58/92/346075892.db2.gz KEMJTCNAHBQMCM-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1C[N@@H+](CCCN)C(C)(C)C1 307498324 346075893 /nfs/dbraw/zinc/07/58/93/346075893.db2.gz KEMJTCNAHBQMCM-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH+]1CC=CC1 307504326 346078789 /nfs/dbraw/zinc/07/87/89/346078789.db2.gz KDDBWTNAMBGINU-SNVBAGLBSA-N 1 3 180.295 1.246 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH+]1CC=CC1 307504324 346078930 /nfs/dbraw/zinc/07/89/30/346078930.db2.gz KDDBWTNAMBGINU-JTQLQIEISA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@H](C1CC1)N1C[C@@H]2C[C@H](C1)C2[NH3+] 307507017 346080492 /nfs/dbraw/zinc/08/04/92/346080492.db2.gz RVLFWYDNGWQXTG-ZCZLBPHLSA-N 1 3 180.295 1.064 10 0 ADAEHO CC(C)([NH3+])CNC1CC=CC1 307511825 346083421 /nfs/dbraw/zinc/08/34/21/346083421.db2.gz DPCTXVPQVRLSMG-UHFFFAOYSA-N 1 3 154.257 1.032 10 0 ADAEHO C[C@H]([C@H]1CC1(C)C)N1CC[C@H]([NH3+])C1 307513202 346083870 /nfs/dbraw/zinc/08/38/70/346083870.db2.gz YQYHMTCHLVSKRI-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]([C@H]1CC1(C)C)N1CC[C@@H]([NH3+])C1 307513208 346084068 /nfs/dbraw/zinc/08/40/68/346084068.db2.gz YQYHMTCHLVSKRI-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]([C@@H]1CC1(C)C)N1CC[C@H]([NH3+])C1 307513215 346084128 /nfs/dbraw/zinc/08/41/28/346084128.db2.gz YQYHMTCHLVSKRI-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)CCC([C@H](N)C[NH3+])CC1 307514455 346084616 /nfs/dbraw/zinc/08/46/16/346084616.db2.gz ONKPVCMQFLEUPI-SECBINFHSA-N 1 3 170.300 1.489 10 0 ADAEHO CC1(C)CCC([C@@H](N)C[NH3+])CC1 307514456 346084664 /nfs/dbraw/zinc/08/46/64/346084664.db2.gz ONKPVCMQFLEUPI-VIFPVBQESA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@@H]1CCN[C@](C)(CCC[NH3+])S1 307519158 346087727 /nfs/dbraw/zinc/08/77/27/346087727.db2.gz MGKMMYUJJAKWGE-BDAKNGLRSA-N 1 3 188.340 1.557 10 0 ADAEHO C[C@H]1CCN[C@@](C)(CCC[NH3+])S1 307519160 346087752 /nfs/dbraw/zinc/08/77/52/346087752.db2.gz MGKMMYUJJAKWGE-DTWKUNHWSA-N 1 3 188.340 1.557 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+](C)C(C)(C)C 307518626 346087855 /nfs/dbraw/zinc/08/78/55/346087855.db2.gz VFZZYFHMZXLCAP-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)C(C)(C)C 307518626 346087858 /nfs/dbraw/zinc/08/78/58/346087858.db2.gz VFZZYFHMZXLCAP-VHSXEESVSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)C(C)(C)C 307518622 346087921 /nfs/dbraw/zinc/08/79/21/346087921.db2.gz VFZZYFHMZXLCAP-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)C(C)(C)C 307518622 346087923 /nfs/dbraw/zinc/08/79/23/346087923.db2.gz VFZZYFHMZXLCAP-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)C(C)(C)C 307518627 346087984 /nfs/dbraw/zinc/08/79/84/346087984.db2.gz VFZZYFHMZXLCAP-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)C(C)(C)C 307518627 346087987 /nfs/dbraw/zinc/08/79/87/346087987.db2.gz VFZZYFHMZXLCAP-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)C(C)(C)C 307518624 346087995 /nfs/dbraw/zinc/08/79/95/346087995.db2.gz VFZZYFHMZXLCAP-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)C(C)(C)C 307518624 346087998 /nfs/dbraw/zinc/08/79/98/346087998.db2.gz VFZZYFHMZXLCAP-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H]1CCN[C@@](C)(CCC[NH3+])S1 307519165 346088269 /nfs/dbraw/zinc/08/82/69/346088269.db2.gz MGKMMYUJJAKWGE-RKDXNWHRSA-N 1 3 188.340 1.557 10 0 ADAEHO C[C@H]1CCN[C@](C)(CCC[NH3+])S1 307519163 346088409 /nfs/dbraw/zinc/08/84/09/346088409.db2.gz MGKMMYUJJAKWGE-IUCAKERBSA-N 1 3 188.340 1.557 10 0 ADAEHO CCN(C)C[C@@H]1C[NH2+]C[C@H](C)C1 307582272 346127247 /nfs/dbraw/zinc/12/72/47/346127247.db2.gz UPVOZAXKWFRJCX-ZJUUUORDSA-N 1 3 170.300 1.184 10 0 ADAEHO CN1CCC[C@@H]([NH2+]CCF)CC1 307523267 346090398 /nfs/dbraw/zinc/09/03/98/346090398.db2.gz CYULTSOKGCIPRP-SECBINFHSA-N 1 3 174.263 1.030 10 0 ADAEHO CN1CCC[C@H]([NH2+]CCF)CC1 307523269 346090435 /nfs/dbraw/zinc/09/04/35/346090435.db2.gz CYULTSOKGCIPRP-VIFPVBQESA-N 1 3 174.263 1.030 10 0 ADAEHO C1CNC[C@@H]([N@@H+]2CCC3(CCC3)C2)C1 307539392 346100082 /nfs/dbraw/zinc/10/00/82/346100082.db2.gz UQEPWISNAIOWEZ-NSHDSACASA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@@H]([N@H+]2CCC3(CCC3)C2)C1 307539392 346100084 /nfs/dbraw/zinc/10/00/84/346100084.db2.gz UQEPWISNAIOWEZ-NSHDSACASA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@H]([N@@H+]2CCC3(CCC3)C2)C1 307539390 346100275 /nfs/dbraw/zinc/10/02/75/346100275.db2.gz UQEPWISNAIOWEZ-LLVKDONJSA-N 1 3 194.322 1.614 10 0 ADAEHO C1CNC[C@H]([N@H+]2CCC3(CCC3)C2)C1 307539390 346100279 /nfs/dbraw/zinc/10/02/79/346100279.db2.gz UQEPWISNAIOWEZ-LLVKDONJSA-N 1 3 194.322 1.614 10 0 ADAEHO C1=C(C[N@@H+]2CCCNCC2)CCC1 307544530 346103327 /nfs/dbraw/zinc/10/33/27/346103327.db2.gz WKORKPYRSFAZDK-UHFFFAOYSA-N 1 3 180.295 1.392 10 0 ADAEHO C1=C(C[N@H+]2CCCNCC2)CCC1 307544530 346103330 /nfs/dbraw/zinc/10/33/30/346103330.db2.gz WKORKPYRSFAZDK-UHFFFAOYSA-N 1 3 180.295 1.392 10 0 ADAEHO CC(C)(C[NH3+])N1CCC2(CCC2)C1 307561998 346114088 /nfs/dbraw/zinc/11/40/88/346114088.db2.gz KBHLFKFVBZRUBF-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCNC1 307565382 346115457 /nfs/dbraw/zinc/11/54/57/346115457.db2.gz RHDPMWZNFFPRGA-WRWGMCAJSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2)[C@@H]1C 307565381 346115704 /nfs/dbraw/zinc/11/57/04/346115704.db2.gz RHDPMWZNFFPRGA-DDHJBXDOSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](N)CC(C)(C)C1 307570574 346119703 /nfs/dbraw/zinc/11/97/03/346119703.db2.gz CQOLHKDXJMCCLH-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](N)CC(C)(C)C1 307570574 346119706 /nfs/dbraw/zinc/11/97/06/346119706.db2.gz CQOLHKDXJMCCLH-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](N)CC(C)(C)C1 307570569 346119757 /nfs/dbraw/zinc/11/97/57/346119757.db2.gz CQOLHKDXJMCCLH-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](N)CC(C)(C)C1 307570569 346119758 /nfs/dbraw/zinc/11/97/58/346119758.db2.gz CQOLHKDXJMCCLH-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO NC1CC([NH+]2C3CCC2CC3)C1 307578570 346125090 /nfs/dbraw/zinc/12/50/90/346125090.db2.gz RZQSTWQNMHOTDI-UHFFFAOYSA-N 1 3 166.268 1.103 10 0 ADAEHO CC1(C[NH+]2C3CCC2CC3)CNC1 307580596 346126780 /nfs/dbraw/zinc/12/67/80/346126780.db2.gz YBSWOODUNJTKHM-UHFFFAOYSA-N 1 3 180.295 1.223 10 0 ADAEHO CC1(CN2C3CCC2CC3)C[NH2+]C1 307580596 346126781 /nfs/dbraw/zinc/12/67/81/346126781.db2.gz YBSWOODUNJTKHM-UHFFFAOYSA-N 1 3 180.295 1.223 10 0 ADAEHO CCN(C)C[C@H]1C[NH2+]C[C@@H](C)C1 307582271 346127316 /nfs/dbraw/zinc/12/73/16/346127316.db2.gz UPVOZAXKWFRJCX-VHSXEESVSA-N 1 3 170.300 1.184 10 0 ADAEHO CC[C@]1(CN2CC[C@@H]2C)CCC[NH2+]C1 307584814 346129120 /nfs/dbraw/zinc/12/91/20/346129120.db2.gz JVHUVPXFHZATRQ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@]1(C[N@@H+]2CC[C@@H]2C)CCCNC1 307584814 346129121 /nfs/dbraw/zinc/12/91/21/346129121.db2.gz JVHUVPXFHZATRQ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@]1(C[N@H+]2CC[C@@H]2C)CCCNC1 307584814 346129123 /nfs/dbraw/zinc/12/91/23/346129123.db2.gz JVHUVPXFHZATRQ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@]1(CN2CC[C@H]2C)CCC[NH2+]C1 307584812 346129207 /nfs/dbraw/zinc/12/92/07/346129207.db2.gz JVHUVPXFHZATRQ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@]1(C[N@@H+]2CC[C@H]2C)CCCNC1 307584812 346129208 /nfs/dbraw/zinc/12/92/08/346129208.db2.gz JVHUVPXFHZATRQ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@]1(C[N@H+]2CC[C@H]2C)CCCNC1 307584812 346129210 /nfs/dbraw/zinc/12/92/10/346129210.db2.gz JVHUVPXFHZATRQ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(CN2CC[C@H]2C)CCC[NH2+]C1 307584815 346129387 /nfs/dbraw/zinc/12/93/87/346129387.db2.gz JVHUVPXFHZATRQ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(C[N@@H+]2CC[C@H]2C)CCCNC1 307584815 346129391 /nfs/dbraw/zinc/12/93/91/346129391.db2.gz JVHUVPXFHZATRQ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(C[N@H+]2CC[C@H]2C)CCCNC1 307584815 346129392 /nfs/dbraw/zinc/12/93/92/346129392.db2.gz JVHUVPXFHZATRQ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(CN2CC[C@@H]2C)CCC[NH2+]C1 307584813 346129448 /nfs/dbraw/zinc/12/94/48/346129448.db2.gz JVHUVPXFHZATRQ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(C[N@@H+]2CC[C@@H]2C)CCCNC1 307584813 346129451 /nfs/dbraw/zinc/12/94/51/346129451.db2.gz JVHUVPXFHZATRQ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(C[N@H+]2CC[C@@H]2C)CCCNC1 307584813 346129453 /nfs/dbraw/zinc/12/94/53/346129453.db2.gz JVHUVPXFHZATRQ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)N2[C@H]1CC[NH2+]C1 307585434 346129921 /nfs/dbraw/zinc/12/99/21/346129921.db2.gz LQQLPYHLNFHZIV-AXFHLTTASA-N 1 3 180.295 1.365 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1 307585434 346129923 /nfs/dbraw/zinc/12/99/23/346129923.db2.gz LQQLPYHLNFHZIV-AXFHLTTASA-N 1 3 180.295 1.365 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1 307585434 346129926 /nfs/dbraw/zinc/12/99/26/346129926.db2.gz LQQLPYHLNFHZIV-AXFHLTTASA-N 1 3 180.295 1.365 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[NH2+]C1 307585435 346129970 /nfs/dbraw/zinc/12/99/70/346129970.db2.gz LQQLPYHLNFHZIV-OUAUKWLOSA-N 1 3 180.295 1.365 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1 307585435 346129972 /nfs/dbraw/zinc/12/99/72/346129972.db2.gz LQQLPYHLNFHZIV-OUAUKWLOSA-N 1 3 180.295 1.365 10 0 ADAEHO C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1 307585435 346129974 /nfs/dbraw/zinc/12/99/74/346129974.db2.gz LQQLPYHLNFHZIV-OUAUKWLOSA-N 1 3 180.295 1.365 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])C1(C)C 307589439 346132010 /nfs/dbraw/zinc/13/20/10/346132010.db2.gz BAURHGLJKZBISQ-QMMMGPOBSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])C1(C)C 307589438 346132176 /nfs/dbraw/zinc/13/21/76/346132176.db2.gz BAURHGLJKZBISQ-MRVPVSSYSA-N 1 3 156.273 1.206 10 0 ADAEHO C/C=C/CN[C@H]1CC[C@H]([NH3+])C1 307596727 346136666 /nfs/dbraw/zinc/13/66/66/346136666.db2.gz MTUSBIQBEWRDBS-JKRGSOBMSA-N 1 3 154.257 1.032 10 0 ADAEHO C/C=C/CN[C@H]1CC[C@@H]([NH3+])C1 307596726 346136748 /nfs/dbraw/zinc/13/67/48/346136748.db2.gz MTUSBIQBEWRDBS-ALCGYSGWSA-N 1 3 154.257 1.032 10 0 ADAEHO C/C=C/CN[C@@H]1CC[C@H]([NH3+])C1 307596725 346136820 /nfs/dbraw/zinc/13/68/20/346136820.db2.gz MTUSBIQBEWRDBS-AHQHDXANSA-N 1 3 154.257 1.032 10 0 ADAEHO C/C=C/CN[C@@H]1CC[C@@H]([NH3+])C1 307596728 346137088 /nfs/dbraw/zinc/13/70/88/346137088.db2.gz MTUSBIQBEWRDBS-KHVQUVQLSA-N 1 3 154.257 1.032 10 0 ADAEHO CCC1C[NH+]([C@@H](C)[C@H](C)N)C1 307602694 346140521 /nfs/dbraw/zinc/14/05/21/346140521.db2.gz XGFRYSLSHPBHPT-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC1C[NH+]([C@H](C)[C@@H](C)N)C1 307602691 346140644 /nfs/dbraw/zinc/14/06/44/346140644.db2.gz XGFRYSLSHPBHPT-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC1C[NH+]([C@@H](C)[C@@H](C)N)C1 307602693 346140664 /nfs/dbraw/zinc/14/06/64/346140664.db2.gz XGFRYSLSHPBHPT-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC1C[NH+]([C@H](C)[C@H](C)N)C1 307602692 346140689 /nfs/dbraw/zinc/14/06/89/346140689.db2.gz XGFRYSLSHPBHPT-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO CN(C1CC([NH3+])C1)[C@@H]1C=CCCC1 307606260 346142641 /nfs/dbraw/zinc/14/26/41/346142641.db2.gz ABLVGNRVLSKKKJ-HSOILSAZSA-N 1 3 180.295 1.517 10 0 ADAEHO CN(C1CC([NH3+])C1)[C@H]1C=CCCC1 307606266 346142920 /nfs/dbraw/zinc/14/29/20/346142920.db2.gz ABLVGNRVLSKKKJ-YVNMAJEFSA-N 1 3 180.295 1.517 10 0 ADAEHO C1CSC2(CCN(C3CC3)CC2)[NH2+]1 307612042 346146569 /nfs/dbraw/zinc/14/65/69/346146569.db2.gz KHEJRFHANCZHQF-UHFFFAOYSA-N 1 3 198.335 1.277 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H]2CCNC[C@@H]2C1 307621104 346152365 /nfs/dbraw/zinc/15/23/65/346152365.db2.gz JPQUVZKTJUCIQC-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H]2CCNC[C@H]2C1 307621100 346152549 /nfs/dbraw/zinc/15/25/49/346152549.db2.gz JPQUVZKTJUCIQC-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CC2)C[C@@]1(C)CN 307631526 346158759 /nfs/dbraw/zinc/15/87/59/346158759.db2.gz YIRTVCSZGWFMFY-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[N@H+](C2CC2)C[C@@]1(C)CN 307631526 346158761 /nfs/dbraw/zinc/15/87/61/346158761.db2.gz YIRTVCSZGWFMFY-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1C[N@@H+](C2CC2)C[C@@]1(C)CN 307631534 346158832 /nfs/dbraw/zinc/15/88/32/346158832.db2.gz YIRTVCSZGWFMFY-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1C[N@H+](C2CC2)C[C@@]1(C)CN 307631534 346158834 /nfs/dbraw/zinc/15/88/34/346158834.db2.gz YIRTVCSZGWFMFY-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1C[N@@H+](C2CC2)C[C@]1(C)CN 307631539 346158936 /nfs/dbraw/zinc/15/89/36/346158936.db2.gz YIRTVCSZGWFMFY-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CC2)C[C@]1(C)CN 307631530 346158989 /nfs/dbraw/zinc/15/89/89/346158989.db2.gz YIRTVCSZGWFMFY-SCZZXKLOSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1(C)CC[N@@H+]1C[C@@H]1CCCNC1 307632523 346159492 /nfs/dbraw/zinc/15/94/92/346159492.db2.gz QAYVTKFZDHWQHS-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CCN1C[C@H]1CCC[NH2+]C1 307632522 346159453 /nfs/dbraw/zinc/15/94/53/346159453.db2.gz QAYVTKFZDHWQHS-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CC[N@@H+]1C[C@H]1CCCNC1 307632522 346159456 /nfs/dbraw/zinc/15/94/56/346159456.db2.gz QAYVTKFZDHWQHS-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CC[N@H+]1C[C@H]1CCCNC1 307632522 346159459 /nfs/dbraw/zinc/15/94/59/346159459.db2.gz QAYVTKFZDHWQHS-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CCN1C[C@@H]1CCC[NH2+]C1 307632523 346159489 /nfs/dbraw/zinc/15/94/89/346159489.db2.gz QAYVTKFZDHWQHS-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CC[N@H+]1C[C@@H]1CCCNC1 307632523 346159495 /nfs/dbraw/zinc/15/94/95/346159495.db2.gz QAYVTKFZDHWQHS-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)=CC[N@H+]1CC[C@@H](N)[C@@H]1C 307660726 346170254 /nfs/dbraw/zinc/17/02/54/346170254.db2.gz CMTUJJMQSMVMCP-VHSXEESVSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1CC[C@@H](N)[C@@H]1C 307660726 346170255 /nfs/dbraw/zinc/17/02/55/346170255.db2.gz CMTUJJMQSMVMCP-VHSXEESVSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1CC[C@@H](N)[C@H]1C 307660715 346170265 /nfs/dbraw/zinc/17/02/65/346170265.db2.gz CMTUJJMQSMVMCP-NXEZZACHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1CC[C@@H](N)[C@H]1C 307660715 346170267 /nfs/dbraw/zinc/17/02/67/346170267.db2.gz CMTUJJMQSMVMCP-NXEZZACHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1CC[C@H](N)[C@H]1C 307660731 346170293 /nfs/dbraw/zinc/17/02/93/346170293.db2.gz CMTUJJMQSMVMCP-ZJUUUORDSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1CC[C@H](N)[C@H]1C 307660731 346170294 /nfs/dbraw/zinc/17/02/94/346170294.db2.gz CMTUJJMQSMVMCP-ZJUUUORDSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1CC[C@H](N)[C@@H]1C 307660722 346170312 /nfs/dbraw/zinc/17/03/12/346170312.db2.gz CMTUJJMQSMVMCP-UWVGGRQHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1CC[C@H](N)[C@@H]1C 307660722 346170313 /nfs/dbraw/zinc/17/03/13/346170313.db2.gz CMTUJJMQSMVMCP-UWVGGRQHSA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1CC1(C)CNC1 307676164 346177490 /nfs/dbraw/zinc/17/74/90/346177490.db2.gz HNEOWKARKCYYCE-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1CC1(C)CNC1 307676164 346177492 /nfs/dbraw/zinc/17/74/92/346177492.db2.gz HNEOWKARKCYYCE-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCCCN1CC1(C)C[NH2+]C1 307676164 346177493 /nfs/dbraw/zinc/17/74/93/346177493.db2.gz HNEOWKARKCYYCE-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCCC[N@H+]1CC1(C)CNC1 307676162 346177503 /nfs/dbraw/zinc/17/75/03/346177503.db2.gz HNEOWKARKCYYCE-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CCCCN1CC1(C)C[NH2+]C1 307676162 346177504 /nfs/dbraw/zinc/17/75/04/346177504.db2.gz HNEOWKARKCYYCE-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO N[C@@H]1CCCCC[C@@H]1[NH+]1CCC1 307695675 346188717 /nfs/dbraw/zinc/18/87/17/346188717.db2.gz FUFPPONRNWWKFC-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO N[C@@H]1CCCCC[C@H]1[NH+]1CCC1 307695671 346188745 /nfs/dbraw/zinc/18/87/45/346188745.db2.gz FUFPPONRNWWKFC-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO N[C@H]1CCCCC[C@@H]1[NH+]1CCC1 307695672 346188917 /nfs/dbraw/zinc/18/89/17/346188917.db2.gz FUFPPONRNWWKFC-UWVGGRQHSA-N 1 3 168.284 1.352 10 0 ADAEHO N[C@H]1CCCCC[C@H]1[NH+]1CCC1 307695674 346189071 /nfs/dbraw/zinc/18/90/71/346189071.db2.gz FUFPPONRNWWKFC-VHSXEESVSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@H]1CC[C@@H]1[N@@H+]1CCCN[C@H](C)CC1 307703576 346193427 /nfs/dbraw/zinc/19/34/27/346193427.db2.gz VTVLDADSUKYWNV-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[C@@H]1[N@H+]1CCCN[C@H](C)CC1 307703576 346193428 /nfs/dbraw/zinc/19/34/28/346193428.db2.gz VTVLDADSUKYWNV-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C)CCCN1 307703577 346193586 /nfs/dbraw/zinc/19/35/86/346193586.db2.gz VTVLDADSUKYWNV-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2C)CCCN1 307703577 346193590 /nfs/dbraw/zinc/19/35/90/346193590.db2.gz VTVLDADSUKYWNV-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[C@H]1[N@@H+]1CCCN[C@H](C)CC1 307703575 346193701 /nfs/dbraw/zinc/19/37/01/346193701.db2.gz VTVLDADSUKYWNV-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[C@H]1[N@H+]1CCCN[C@H](C)CC1 307703575 346193703 /nfs/dbraw/zinc/19/37/03/346193703.db2.gz VTVLDADSUKYWNV-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C)CCCN1 307703574 346193734 /nfs/dbraw/zinc/19/37/34/346193734.db2.gz VTVLDADSUKYWNV-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2C)CCCN1 307703574 346193736 /nfs/dbraw/zinc/19/37/36/346193736.db2.gz VTVLDADSUKYWNV-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 307712353 346197805 /nfs/dbraw/zinc/19/78/05/346197805.db2.gz WTOCUTPSVITOFM-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 307712356 346197813 /nfs/dbraw/zinc/19/78/13/346197813.db2.gz WTOCUTPSVITOFM-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCC[C@H](N)CC1 307712356 346197816 /nfs/dbraw/zinc/19/78/16/346197816.db2.gz WTOCUTPSVITOFM-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@H](N)CC1 307712354 346197927 /nfs/dbraw/zinc/19/79/27/346197927.db2.gz WTOCUTPSVITOFM-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@H](N)CC1 307712354 346197931 /nfs/dbraw/zinc/19/79/31/346197931.db2.gz WTOCUTPSVITOFM-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 307712355 346198021 /nfs/dbraw/zinc/19/80/21/346198021.db2.gz WTOCUTPSVITOFM-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[N@H+]1CCC[C@@H](N)CC1 307712355 346198024 /nfs/dbraw/zinc/19/80/24/346198024.db2.gz WTOCUTPSVITOFM-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@]1(C)C[C@H]1N1CCC([NH3+])CC1 307716201 346199816 /nfs/dbraw/zinc/19/98/16/346199816.db2.gz JUWAWIVAAPPQCW-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@]1(C)C[C@@H]1N1CCC([NH3+])CC1 307716204 346199637 /nfs/dbraw/zinc/19/96/37/346199637.db2.gz JUWAWIVAAPPQCW-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@]1(C)C[C@@H]1N1CCC([NH3+])CC1 307716203 346199747 /nfs/dbraw/zinc/19/97/47/346199747.db2.gz JUWAWIVAAPPQCW-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@]1(C)C[C@H]1N1CCC([NH3+])CC1 307716202 346199782 /nfs/dbraw/zinc/19/97/82/346199782.db2.gz JUWAWIVAAPPQCW-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[N@@H+]1CC1(C)CNC1 307722787 346203699 /nfs/dbraw/zinc/20/36/99/346203699.db2.gz YZHMJVKGWZICCU-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CCC[N@H+]1CC1(C)CNC1 307722787 346203701 /nfs/dbraw/zinc/20/37/01/346203701.db2.gz YZHMJVKGWZICCU-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CCCN1CC1(C)C[NH2+]C1 307722787 346203705 /nfs/dbraw/zinc/20/37/05/346203705.db2.gz YZHMJVKGWZICCU-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1CC1(C)CNC1 307722785 346203762 /nfs/dbraw/zinc/20/37/62/346203762.db2.gz YZHMJVKGWZICCU-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCC[N@H+]1CC1(C)CNC1 307722785 346203763 /nfs/dbraw/zinc/20/37/63/346203763.db2.gz YZHMJVKGWZICCU-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCCN1CC1(C)C[NH2+]C1 307722785 346203765 /nfs/dbraw/zinc/20/37/65/346203765.db2.gz YZHMJVKGWZICCU-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@]1(CNc2ccncc2)CCC[NH2+]1 307726450 346205090 /nfs/dbraw/zinc/20/50/90/346205090.db2.gz CZOHQFUWODMCKA-LLVKDONJSA-N 1 3 191.278 1.636 10 0 ADAEHO C[C@@]1(CNc2ccncc2)CCC[NH2+]1 307726451 346205135 /nfs/dbraw/zinc/20/51/35/346205135.db2.gz CZOHQFUWODMCKA-NSHDSACASA-N 1 3 191.278 1.636 10 0 ADAEHO CC(C)[N@H+]1CCCC[C@@H]1C[C@@H](C)N 307726805 346205583 /nfs/dbraw/zinc/20/55/83/346205583.db2.gz DLJVOEQHTCAQLC-GHMZBOCLSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@@H+]1CCCC[C@@H]1C[C@@H](C)N 307726805 346205585 /nfs/dbraw/zinc/20/55/85/346205585.db2.gz DLJVOEQHTCAQLC-GHMZBOCLSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@H+]1CCCC[C@@H]1C[C@H](C)N 307726910 346205733 /nfs/dbraw/zinc/20/57/33/346205733.db2.gz DLJVOEQHTCAQLC-WDEREUQCSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@@H+]1CCCC[C@@H]1C[C@H](C)N 307726910 346205736 /nfs/dbraw/zinc/20/57/36/346205736.db2.gz DLJVOEQHTCAQLC-WDEREUQCSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@H+]1CCCC[C@H]1C[C@@H](C)N 307726806 346205776 /nfs/dbraw/zinc/20/57/76/346205776.db2.gz DLJVOEQHTCAQLC-MNOVXSKESA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@@H+]1CCCC[C@H]1C[C@@H](C)N 307726806 346205779 /nfs/dbraw/zinc/20/57/79/346205779.db2.gz DLJVOEQHTCAQLC-MNOVXSKESA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@H+]1CCCC[C@H]1C[C@H](C)N 307726807 346205894 /nfs/dbraw/zinc/20/58/94/346205894.db2.gz DLJVOEQHTCAQLC-QWRGUYRKSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)[N@@H+]1CCCC[C@H]1C[C@H](C)N 307726807 346205896 /nfs/dbraw/zinc/20/58/96/346205896.db2.gz DLJVOEQHTCAQLC-QWRGUYRKSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](C)N1CCC2(CCC2)C1 307730753 346207948 /nfs/dbraw/zinc/20/79/48/346207948.db2.gz IPYWSUVPOYOBOO-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]([C@@H](C)[NH3+])N1CCC2(CCC2)C1 307730756 346208095 /nfs/dbraw/zinc/20/80/95/346208095.db2.gz IPYWSUVPOYOBOO-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N1CCC2(CCC2)C1 307730754 346208127 /nfs/dbraw/zinc/20/81/27/346208127.db2.gz IPYWSUVPOYOBOO-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N1CCC2(CCC2)C1 307730755 346208139 /nfs/dbraw/zinc/20/81/39/346208139.db2.gz IPYWSUVPOYOBOO-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+]([C@H]1CCC[C@H](N)C1)C(C)(C)C 307732318 346209088 /nfs/dbraw/zinc/20/90/88/346209088.db2.gz LFPSYAONXDGIGK-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@@H+]([C@H]1CCC[C@H](N)C1)C(C)(C)C 307732318 346209091 /nfs/dbraw/zinc/20/90/91/346209091.db2.gz LFPSYAONXDGIGK-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@H+]([C@@H]1CCC[C@H](N)C1)C(C)(C)C 307732319 346209347 /nfs/dbraw/zinc/20/93/47/346209347.db2.gz LFPSYAONXDGIGK-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@@H+]([C@@H]1CCC[C@H](N)C1)C(C)(C)C 307732319 346209350 /nfs/dbraw/zinc/20/93/50/346209350.db2.gz LFPSYAONXDGIGK-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@H+]([C@H]1CCC[C@@H](N)C1)C(C)(C)C 307732320 346209371 /nfs/dbraw/zinc/20/93/71/346209371.db2.gz LFPSYAONXDGIGK-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@@H+]([C@H]1CCC[C@@H](N)C1)C(C)(C)C 307732320 346209374 /nfs/dbraw/zinc/20/93/74/346209374.db2.gz LFPSYAONXDGIGK-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@H+]([C@@H]1CCC[C@@H](N)C1)C(C)(C)C 307732316 346209384 /nfs/dbraw/zinc/20/93/84/346209384.db2.gz LFPSYAONXDGIGK-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@@H+]([C@@H]1CCC[C@@H](N)C1)C(C)(C)C 307732316 346209387 /nfs/dbraw/zinc/20/93/87/346209387.db2.gz LFPSYAONXDGIGK-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](CN)C[NH+]1C[C@@H]2CC=CC[C@H]2C1 307735680 346210932 /nfs/dbraw/zinc/21/09/32/346210932.db2.gz QVEOKEPWTNZFEB-WOPDTQHZSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@H](CN)C[NH+]1C[C@H]2CC=CC[C@@H]2C1 307735679 346211044 /nfs/dbraw/zinc/21/10/44/346211044.db2.gz QVEOKEPWTNZFEB-IJLUTSLNSA-N 1 3 194.322 1.479 10 0 ADAEHO CC1CC(N2CCC(C)([NH3+])CC2)C1 307754528 346223420 /nfs/dbraw/zinc/22/34/20/346223420.db2.gz ZREUHXWWKKRNTH-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO [NH3+]C/C=C\CNc1ccncc1 307927370 346236004 /nfs/dbraw/zinc/23/60/04/346236004.db2.gz ZRVVRZRZNDLQFC-UPHRSURJSA-N 1 3 163.224 1.008 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@H+](C)[C@H](C)C1 308108139 346256492 /nfs/dbraw/zinc/25/64/92/346256492.db2.gz QDGXQSRMIQVPJO-WQMVXFAESA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 308108139 346256494 /nfs/dbraw/zinc/25/64/94/346256494.db2.gz QDGXQSRMIQVPJO-WQMVXFAESA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 308108137 346256572 /nfs/dbraw/zinc/25/65/72/346256572.db2.gz QDGXQSRMIQVPJO-NRFYAWERSA-N 1 3 182.311 1.635 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 308108137 346256574 /nfs/dbraw/zinc/25/65/74/346256574.db2.gz QDGXQSRMIQVPJO-NRFYAWERSA-N 1 3 182.311 1.635 10 0 ADAEHO C[C@H]1C[C@@H]1CN1CCC2(CC[NH2+]2)CC1 334585461 346355464 /nfs/dbraw/zinc/35/54/64/346355464.db2.gz GPGRDKPPQMRNSA-WDEREUQCSA-N 1 3 194.322 1.470 10 0 ADAEHO CC[C@H](C)CN1CCC2(CC[NH2+]2)CC1 334588072 346355666 /nfs/dbraw/zinc/35/56/66/346355666.db2.gz RBOMFNCXKSTMGQ-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1C[C@H]1CN1CCC2(CC[NH2+]2)CC1 334585459 346355873 /nfs/dbraw/zinc/35/58/73/346355873.db2.gz GPGRDKPPQMRNSA-QWRGUYRKSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)CCN1 334869619 346367820 /nfs/dbraw/zinc/36/78/20/346367820.db2.gz QFODOCCTCBCLEK-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)CCN1 334869618 346368086 /nfs/dbraw/zinc/36/80/86/346368086.db2.gz QFODOCCTCBCLEK-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCCN1CCC2(CC[NH2+]2)CC1 335005746 346373398 /nfs/dbraw/zinc/37/33/98/346373398.db2.gz IFTAPZHINUTZJY-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO C[C@H](N[C@@H]1CC12CCCC2)C1C[NH2+]C1 335006262 346373458 /nfs/dbraw/zinc/37/34/58/346373458.db2.gz CCKFQQFAIREIRU-GXSJLCMTSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC12CCCC2)C1CNC1 335006262 346373461 /nfs/dbraw/zinc/37/34/61/346373461.db2.gz CCKFQQFAIREIRU-GXSJLCMTSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H](N[C@H]1CC12CCCC2)C1C[NH2+]C1 335006281 346373581 /nfs/dbraw/zinc/37/35/81/346373581.db2.gz CCKFQQFAIREIRU-ONGXEEELSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC12CCCC2)C1CNC1 335006281 346373583 /nfs/dbraw/zinc/37/35/83/346373583.db2.gz CCKFQQFAIREIRU-ONGXEEELSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 334993369 346373618 /nfs/dbraw/zinc/37/36/18/346373618.db2.gz PIJDBTJZAVEMJM-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 334993368 346373848 /nfs/dbraw/zinc/37/38/48/346373848.db2.gz PIJDBTJZAVEMJM-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCN1CCC2(CC[NH2+]2)CC1 335010019 346374234 /nfs/dbraw/zinc/37/42/34/346374234.db2.gz ZWERESNUOOLEBS-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO CC[C@H](C)N1CCC2(CC[NH2+]2)CC1 335017663 346374313 /nfs/dbraw/zinc/37/43/13/346374313.db2.gz MECVJMQUZPIGOH-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC1CC([NH2+][C@@H]2CCNCC[C@@H]2C)C1 335030260 346375115 /nfs/dbraw/zinc/37/51/15/346375115.db2.gz AZIHLVLXOGSEPK-POSLAHMBSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1CC([NH2+][C@@H]2CCNCC[C@H]2C)C1 335030262 346375231 /nfs/dbraw/zinc/37/52/31/346375231.db2.gz AZIHLVLXOGSEPK-RUJICJSRSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1CC([NH2+][C@H]2CCNCC[C@H]2C)C1 335030261 346375367 /nfs/dbraw/zinc/37/53/67/346375367.db2.gz AZIHLVLXOGSEPK-RSJDFQLWSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1CC([NH2+][C@H]2CCNCC[C@@H]2C)C1 335030259 346375445 /nfs/dbraw/zinc/37/54/45/346375445.db2.gz AZIHLVLXOGSEPK-ADPBJBESSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](N[C@H]1CCCC[NH2+]C1)C1CC1 335060272 346376948 /nfs/dbraw/zinc/37/69/48/346376948.db2.gz DJIRUIZRBVXMCP-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](N[C@@H]1CCCC[NH2+]C1)C1CC1 335060269 346377019 /nfs/dbraw/zinc/37/70/19/346377019.db2.gz DJIRUIZRBVXMCP-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](N[C@@H]1CCCC[NH2+]C1)C1CCC1 335269942 346385127 /nfs/dbraw/zinc/38/51/27/346385127.db2.gz LOHYSVCWQJLEEK-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[C@H]1CN1CCC([NH+](C)C)CC1 335283812 346385572 /nfs/dbraw/zinc/38/55/72/346385572.db2.gz JRNRZQLUFAUNFY-QWRGUYRKSA-N 1 3 196.338 1.668 10 0 ADAEHO C[C@H]1C[C@@H]1CN1CCC([NH+](C)C)CC1 335283813 346386001 /nfs/dbraw/zinc/38/60/01/346386001.db2.gz JRNRZQLUFAUNFY-WDEREUQCSA-N 1 3 196.338 1.668 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 335551283 346404385 /nfs/dbraw/zinc/40/43/85/346404385.db2.gz DRNPXWKOQCDOET-GXSJLCMTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]CC2CNC2)C1 335551286 346404604 /nfs/dbraw/zinc/40/46/04/346404604.db2.gz DRNPXWKOQCDOET-ONGXEEELSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1CC(N[C@@H]2C[NH2+]CC[C@H]2C)C1 335637579 346410612 /nfs/dbraw/zinc/41/06/12/346410612.db2.gz PRYKPBNFFIKUNW-VGRIYTJTSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CC(N[C@@H]2C[NH2+]CC[C@@H]2C)C1 335637578 346410709 /nfs/dbraw/zinc/41/07/09/346410709.db2.gz PRYKPBNFFIKUNW-QONHTCSSSA-N 1 3 182.311 1.373 10 0 ADAEHO CC1CC(N[C@H]2C[NH2+]CC[C@H]2C)C1 335637569 346410736 /nfs/dbraw/zinc/41/07/36/346410736.db2.gz PRYKPBNFFIKUNW-DJRKXVOMSA-N 1 3 182.311 1.373 10 0 ADAEHO C[NH+](C)C1CCN(CC2CCC2)CC1 335677623 346413060 /nfs/dbraw/zinc/41/30/60/346413060.db2.gz ZIIZVUGJELPSGZ-UHFFFAOYSA-N 1 3 196.338 1.813 10 0 ADAEHO CC1=CCCN(C/C=C\C[NH3+])C1 379338410 346503033 /nfs/dbraw/zinc/50/30/33/346503033.db2.gz JUBKVIUORULWJB-IHWYPQMZSA-N 1 3 166.268 1.153 10 0 ADAEHO C/C=C\CNC1CC[NH+](CC)CC1 384831352 346539943 /nfs/dbraw/zinc/53/99/43/346539943.db2.gz GWNOMAWYNLELBK-HYXAFXHYSA-N 1 3 182.311 1.636 10 0 ADAEHO C/C=C/CNC1CC[NH+](CC)CC1 384831351 346540163 /nfs/dbraw/zinc/54/01/63/346540163.db2.gz GWNOMAWYNLELBK-HWKANZROSA-N 1 3 182.311 1.636 10 0 ADAEHO C/C=C/CN[C@@H]1CCC[C@@H]1C[NH3+] 384887131 346540644 /nfs/dbraw/zinc/54/06/44/346540644.db2.gz SKEADVZVBFMMMS-HLKOZVMDSA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C/C[NH2+][C@@H]1CCC[C@@H]1CN 384887131 346540646 /nfs/dbraw/zinc/54/06/46/346540646.db2.gz SKEADVZVBFMMMS-HLKOZVMDSA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C\C[NH2+][C@@H]1CCCC[C@H]1CN 384905212 346540700 /nfs/dbraw/zinc/54/07/00/346540700.db2.gz XNVOKRKANYWNCJ-MMJBKMRYSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C\CN[C@@H]1CCCC[C@H]1C[NH3+] 384905212 346540702 /nfs/dbraw/zinc/54/07/02/346540702.db2.gz XNVOKRKANYWNCJ-MMJBKMRYSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C\CN[C@@H]1CCC[C@@H]1C[NH3+] 384887132 346540722 /nfs/dbraw/zinc/54/07/22/346540722.db2.gz SKEADVZVBFMMMS-JAFKPYBISA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C\C[NH2+][C@@H]1CCC[C@@H]1CN 384887132 346540724 /nfs/dbraw/zinc/54/07/24/346540724.db2.gz SKEADVZVBFMMMS-JAFKPYBISA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C\CN[C@H]1CCC[NH2+]CC1 384891503 346540814 /nfs/dbraw/zinc/54/08/14/346540814.db2.gz UCFDKXNSYDINTR-ZMWSMAPVSA-N 1 3 168.284 1.294 10 0 ADAEHO C/C=C\CN[C@@H]1CCC[NH2+]CC1 384891502 346540843 /nfs/dbraw/zinc/54/08/43/346540843.db2.gz UCFDKXNSYDINTR-MXQLGCADSA-N 1 3 168.284 1.294 10 0 ADAEHO C/C=C/CN[C@@H]1CCC[C@H]1C[NH3+] 384887133 346540920 /nfs/dbraw/zinc/54/09/20/346540920.db2.gz SKEADVZVBFMMMS-MDCNRGEUSA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C/C[NH2+][C@@H]1CCC[C@H]1CN 384887133 346540922 /nfs/dbraw/zinc/54/09/22/346540922.db2.gz SKEADVZVBFMMMS-MDCNRGEUSA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C\C[NH2+][C@@H]1CCCC[C@@H]1CN 384905211 346540962 /nfs/dbraw/zinc/54/09/62/346540962.db2.gz XNVOKRKANYWNCJ-LVUHIJSRSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C\CN[C@@H]1CCCC[C@@H]1C[NH3+] 384905211 346540963 /nfs/dbraw/zinc/54/09/63/346540963.db2.gz XNVOKRKANYWNCJ-LVUHIJSRSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C\CN[C@@H]1CCC[C@H]1C[NH3+] 384887134 346541006 /nfs/dbraw/zinc/54/10/06/346541006.db2.gz SKEADVZVBFMMMS-YLBDSCSXSA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C\C[NH2+][C@@H]1CCC[C@H]1CN 384887134 346541008 /nfs/dbraw/zinc/54/10/08/346541008.db2.gz SKEADVZVBFMMMS-YLBDSCSXSA-N 1 3 168.284 1.280 10 0 ADAEHO C/C=C/C[NH2+][C@@H]1CCCC[C@H]1CN 384905214 346541067 /nfs/dbraw/zinc/54/10/67/346541067.db2.gz XNVOKRKANYWNCJ-ZROCKMJXSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C/CN[C@@H]1CCCC[C@H]1C[NH3+] 384905214 346541069 /nfs/dbraw/zinc/54/10/69/346541069.db2.gz XNVOKRKANYWNCJ-ZROCKMJXSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C/C[NH2+][C@@H]1CCCC[C@@H]1CN 384905213 346541123 /nfs/dbraw/zinc/54/11/23/346541123.db2.gz XNVOKRKANYWNCJ-WUNPDAOYSA-N 1 3 182.311 1.670 10 0 ADAEHO C/C=C/CN[C@@H]1CCCC[C@@H]1C[NH3+] 384905213 346541126 /nfs/dbraw/zinc/54/11/26/346541126.db2.gz XNVOKRKANYWNCJ-WUNPDAOYSA-N 1 3 182.311 1.670 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386059718 346544439 /nfs/dbraw/zinc/54/44/39/346544439.db2.gz AZWOLPBKAKTBPF-UTINFBMNSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386059720 346544506 /nfs/dbraw/zinc/54/45/06/346544506.db2.gz AZWOLPBKAKTBPF-XFWSIPNHSA-N 1 3 170.300 1.358 10 0 ADAEHO CCSCC[N@@H+]1CC[C@H](N)[C@@H]1C 388521601 346559341 /nfs/dbraw/zinc/55/93/41/346559341.db2.gz XQJCKTZRTWRKFT-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO CCSCC[N@H+]1CC[C@H](N)[C@@H]1C 388521601 346559345 /nfs/dbraw/zinc/55/93/45/346559345.db2.gz XQJCKTZRTWRKFT-IUCAKERBSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1CCCN(C)[C@H]1CC[NH3+] 404358344 346641190 /nfs/dbraw/zinc/64/11/90/346641190.db2.gz DFKDFVCDVWDFDV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C/C=C\CN[C@@H]1CCC[C@@H]([NH3+])C1 394988046 346585504 /nfs/dbraw/zinc/58/55/04/346585504.db2.gz BGNBJJZLELMSDF-JAFKPYBISA-N 1 3 168.284 1.422 10 0 ADAEHO C/C=C\CN[C@@H]1CCC[C@H]([NH3+])C1 394988057 346585786 /nfs/dbraw/zinc/58/57/86/346585786.db2.gz BGNBJJZLELMSDF-YLBDSCSXSA-N 1 3 168.284 1.422 10 0 ADAEHO C[C@H]1CN(C)CC/C1=C/CC[NH3+] 395017517 346586271 /nfs/dbraw/zinc/58/62/71/346586271.db2.gz PNUIUYPEJMCHLA-SGRPLGENSA-N 1 3 168.284 1.233 10 0 ADAEHO C[C@@H]1CN(C)CC/C1=C/CC[NH3+] 395017516 346586286 /nfs/dbraw/zinc/58/62/86/346586286.db2.gz PNUIUYPEJMCHLA-BABIGQSTSA-N 1 3 168.284 1.233 10 0 ADAEHO C[NH2+][C@H](CCN1CCCC1)C(C)C 395985249 346587369 /nfs/dbraw/zinc/58/73/69/346587369.db2.gz XVWZBXQSSACDLY-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H](C)C1CC1 397980246 346594603 /nfs/dbraw/zinc/59/46/03/346594603.db2.gz DZEFMMSJFDEHNW-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H](N)CC[NH2+][C@H](C)C1CC1 397980243 346594611 /nfs/dbraw/zinc/59/46/11/346594611.db2.gz DZEFMMSJFDEHNW-JGVFFNPUSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 399000882 346596962 /nfs/dbraw/zinc/59/69/62/346596962.db2.gz CPEFCWXMXLZRNM-DCAQKATOSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 399000885 346597192 /nfs/dbraw/zinc/59/71/92/346597192.db2.gz CPEFCWXMXLZRNM-OUAUKWLOSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 399000887 346597258 /nfs/dbraw/zinc/59/72/58/346597258.db2.gz CPEFCWXMXLZRNM-VWYCJHECSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 399000884 346597264 /nfs/dbraw/zinc/59/72/64/346597264.db2.gz CPEFCWXMXLZRNM-GARJFASQSA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@H](CC1CC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 399242109 346597953 /nfs/dbraw/zinc/59/79/53/346597953.db2.gz UNZSOFTYRLRDMH-CKYFFXLPSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H](C)CN[C@H]1CC[C@@H](C)[NH2+]C1 399069935 346598002 /nfs/dbraw/zinc/59/80/02/346598002.db2.gz DIELHKFORZBNRJ-AXFHLTTASA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@H](C)CN[C@@H]1CC[C@H](C)[NH2+]C1 399069938 346598084 /nfs/dbraw/zinc/59/80/84/346598084.db2.gz DIELHKFORZBNRJ-GARJFASQSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H](CC1CC1)N[C@H]1CC[C@@H](C)[NH2+]C1 399242114 346598125 /nfs/dbraw/zinc/59/81/25/346598125.db2.gz UNZSOFTYRLRDMH-FOGDFJRCSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H](C)CN[C@H]1CC[C@H](C)[NH2+]C1 399069937 346598210 /nfs/dbraw/zinc/59/82/10/346598210.db2.gz DIELHKFORZBNRJ-DCAQKATOSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](CC1CC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 399242119 346598233 /nfs/dbraw/zinc/59/82/33/346598233.db2.gz UNZSOFTYRLRDMH-JFGNBEQYSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H](C)CN[C@@H]1CC[C@@H](C)[NH2+]C1 399069940 346598249 /nfs/dbraw/zinc/59/82/49/346598249.db2.gz DIELHKFORZBNRJ-HBNTYKKESA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H](CC1CC1)N[C@H]1CC[C@@H](C)[NH2+]C1 399242122 346598805 /nfs/dbraw/zinc/59/88/05/346598805.db2.gz UNZSOFTYRLRDMH-SCVCMEIPSA-N 1 3 196.338 1.905 10 0 ADAEHO C[Si](C)(C)CN1C[C@@H]2C[C@H](C1)C2[NH3+] 401752245 346616650 /nfs/dbraw/zinc/61/66/50/346616650.db2.gz QWNIRHAZKPSNME-ULKQDVFKSA-N 1 3 198.386 1.143 10 0 ADAEHO C[Si](C)(C)C[N@@H+]1C[C@@H]2C[C@H](C1)C2N 401752245 346616651 /nfs/dbraw/zinc/61/66/51/346616651.db2.gz QWNIRHAZKPSNME-ULKQDVFKSA-N 1 3 198.386 1.143 10 0 ADAEHO C[Si](C)(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2N 401752245 346616652 /nfs/dbraw/zinc/61/66/52/346616652.db2.gz QWNIRHAZKPSNME-ULKQDVFKSA-N 1 3 198.386 1.143 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[C@H]2C)C1 401893178 346623076 /nfs/dbraw/zinc/62/30/76/346623076.db2.gz ZAYYJNXUNQGIEL-ZDCRXTMVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](NC2CCCC2)C1 401893337 346623106 /nfs/dbraw/zinc/62/31/06/346623106.db2.gz ZJHPPOVUZUPXPK-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[C@@H]2C)C1 401893176 346623133 /nfs/dbraw/zinc/62/31/33/346623133.db2.gz ZAYYJNXUNQGIEL-UKKRHICBSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CC[C@@H]2C)C1 401893174 346623159 /nfs/dbraw/zinc/62/31/59/346623159.db2.gz ZAYYJNXUNQGIEL-MMWGEVLESA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](NC2CCCC2)C1 401893339 346623221 /nfs/dbraw/zinc/62/32/21/346623221.db2.gz ZJHPPOVUZUPXPK-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](NC2CCCC2)C1 401893342 346623292 /nfs/dbraw/zinc/62/32/92/346623292.db2.gz ZJHPPOVUZUPXPK-ONGXEEELSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CC[C@H]2C)C1 401893173 346623320 /nfs/dbraw/zinc/62/33/20/346623320.db2.gz ZAYYJNXUNQGIEL-LNFKQOIKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](NC2CCCC2)C1 401893340 346623349 /nfs/dbraw/zinc/62/33/49/346623349.db2.gz ZJHPPOVUZUPXPK-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO [NH3+][C@@H]1CCN([C@@H]2CC[C@H]3C[C@H]3C2)C1 403163503 346633875 /nfs/dbraw/zinc/63/38/75/346633875.db2.gz AVBYJCJCSYOWQO-UKKRHICBSA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+][C@@H]1CCN([C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403163500 346634034 /nfs/dbraw/zinc/63/40/34/346634034.db2.gz AVBYJCJCSYOWQO-GWOFURMSSA-N 1 3 180.295 1.208 10 0 ADAEHO NC1CC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403770096 346638540 /nfs/dbraw/zinc/63/85/40/346638540.db2.gz UGIIHXNGNPBHNX-RBYJBEHXSA-N 1 3 180.295 1.254 10 0 ADAEHO NC1CC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1 403770092 346638689 /nfs/dbraw/zinc/63/86/89/346638689.db2.gz UGIIHXNGNPBHNX-HAFSKFSBSA-N 1 3 180.295 1.254 10 0 ADAEHO C[C@@H]1CCC[N@H+](C)[C@H]1CCN 404358335 346641150 /nfs/dbraw/zinc/64/11/50/346641150.db2.gz DFKDFVCDVWDFDV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CCC[N@@H+](C)[C@H]1CCN 404358335 346641152 /nfs/dbraw/zinc/64/11/52/346641152.db2.gz DFKDFVCDVWDFDV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CCCN(C)[C@H]1CC[NH3+] 404358335 346641154 /nfs/dbraw/zinc/64/11/54/346641154.db2.gz DFKDFVCDVWDFDV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCC[N@H+](C)[C@H]1CCN 404358344 346641188 /nfs/dbraw/zinc/64/11/88/346641188.db2.gz DFKDFVCDVWDFDV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCC[N@@H+](C)[C@H]1CCN 404358344 346641189 /nfs/dbraw/zinc/64/11/89/346641189.db2.gz DFKDFVCDVWDFDV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCC[N@H+](C)[C@@H]1CCN 404358342 346641282 /nfs/dbraw/zinc/64/12/82/346641282.db2.gz DFKDFVCDVWDFDV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCC[N@@H+](C)[C@@H]1CCN 404358342 346641283 /nfs/dbraw/zinc/64/12/83/346641283.db2.gz DFKDFVCDVWDFDV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCCN(C)[C@@H]1CC[NH3+] 404358342 346641285 /nfs/dbraw/zinc/64/12/85/346641285.db2.gz DFKDFVCDVWDFDV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CCC[N@H+](C)[C@@H]1CCN 404358351 346641322 /nfs/dbraw/zinc/64/13/22/346641322.db2.gz DFKDFVCDVWDFDV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CCC[N@@H+](C)[C@@H]1CCN 404358351 346641324 /nfs/dbraw/zinc/64/13/24/346641324.db2.gz DFKDFVCDVWDFDV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CCCN(C)[C@@H]1CC[NH3+] 404358351 346641325 /nfs/dbraw/zinc/64/13/25/346641325.db2.gz DFKDFVCDVWDFDV-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO N[C@@H]1C[C@@H]([NH+]2CC=CC2)C12CCC2 404631190 346647593 /nfs/dbraw/zinc/64/75/93/346647593.db2.gz GDEBQBCLASFQLT-NXEZZACHSA-N 1 3 178.279 1.128 10 0 ADAEHO N[C@H]1C[C@@H]([NH+]2CC=CC2)C12CCC2 404631192 346647688 /nfs/dbraw/zinc/64/76/88/346647688.db2.gz GDEBQBCLASFQLT-VHSXEESVSA-N 1 3 178.279 1.128 10 0 ADAEHO N[C@H]1C[C@H]([NH+]2CC=CC2)C12CCC2 404631191 346647762 /nfs/dbraw/zinc/64/77/62/346647762.db2.gz GDEBQBCLASFQLT-UWVGGRQHSA-N 1 3 178.279 1.128 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1C[C@@H]([NH3+])C12CCC2 404646782 346648091 /nfs/dbraw/zinc/64/80/91/346648091.db2.gz LULKDWGKCGFTGR-OPRDCNLKSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1C[C@@H](N)C12CCC2 404646782 346648093 /nfs/dbraw/zinc/64/80/93/346648093.db2.gz LULKDWGKCGFTGR-OPRDCNLKSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1C[C@@H](N)C12CCC2 404646782 346648094 /nfs/dbraw/zinc/64/80/94/346648094.db2.gz LULKDWGKCGFTGR-OPRDCNLKSA-N 1 3 180.295 1.351 10 0 ADAEHO CC1CN([C@H]2C[C@@H]([NH3+])C23CCC3)C1 404649027 346648106 /nfs/dbraw/zinc/64/81/06/346648106.db2.gz MYNBVFRJUOOONA-ZJUUUORDSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1C[NH+]([C@H]2C[C@@H](N)C23CCC3)C1 404649027 346648108 /nfs/dbraw/zinc/64/81/08/346648108.db2.gz MYNBVFRJUOOONA-ZJUUUORDSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1CN([C@@H]2C[C@@H]([NH3+])C23CCC3)C1 404649015 346648112 /nfs/dbraw/zinc/64/81/12/346648112.db2.gz MYNBVFRJUOOONA-NXEZZACHSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1C[NH+]([C@@H]2C[C@@H](N)C23CCC3)C1 404649015 346648115 /nfs/dbraw/zinc/64/81/15/346648115.db2.gz MYNBVFRJUOOONA-NXEZZACHSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1CN([C@@H]2C[C@H]([NH3+])C23CCC3)C1 404649023 346648120 /nfs/dbraw/zinc/64/81/20/346648120.db2.gz MYNBVFRJUOOONA-VHSXEESVSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1C[NH+]([C@@H]2C[C@H](N)C23CCC3)C1 404649023 346648123 /nfs/dbraw/zinc/64/81/23/346648123.db2.gz MYNBVFRJUOOONA-VHSXEESVSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1C[C@H]([NH3+])C12CCC2 404646776 346648131 /nfs/dbraw/zinc/64/81/31/346648131.db2.gz LULKDWGKCGFTGR-KXUCPTDWSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1C[C@H](N)C12CCC2 404646776 346648132 /nfs/dbraw/zinc/64/81/32/346648132.db2.gz LULKDWGKCGFTGR-KXUCPTDWSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CCN1[C@H]1C[C@@H]([NH3+])C12CCC2 404646772 346648148 /nfs/dbraw/zinc/64/81/48/346648148.db2.gz LULKDWGKCGFTGR-BBBLOLIVSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1C[C@@H](N)C12CCC2 404646772 346648150 /nfs/dbraw/zinc/64/81/50/346648150.db2.gz LULKDWGKCGFTGR-BBBLOLIVSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1C[C@@H](N)C12CCC2 404646772 346648152 /nfs/dbraw/zinc/64/81/52/346648152.db2.gz LULKDWGKCGFTGR-BBBLOLIVSA-N 1 3 180.295 1.351 10 0 ADAEHO CC1CN([C@H]2C[C@H]([NH3+])C23CCC3)C1 404649020 346648167 /nfs/dbraw/zinc/64/81/67/346648167.db2.gz MYNBVFRJUOOONA-UWVGGRQHSA-N 1 3 180.295 1.208 10 0 ADAEHO CC1C[NH+]([C@H]2C[C@H](N)C23CCC3)C1 404649020 346648168 /nfs/dbraw/zinc/64/81/68/346648168.db2.gz MYNBVFRJUOOONA-UWVGGRQHSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CCN1[C@H]1C[C@H]([NH3+])C12CCC2 404646786 346648213 /nfs/dbraw/zinc/64/82/13/346648213.db2.gz LULKDWGKCGFTGR-UTLUCORTSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1C[C@H](N)C12CCC2 404646786 346648214 /nfs/dbraw/zinc/64/82/14/346648214.db2.gz LULKDWGKCGFTGR-UTLUCORTSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1C[C@H](N)C12CCC2 404646786 346648217 /nfs/dbraw/zinc/64/82/17/346648217.db2.gz LULKDWGKCGFTGR-UTLUCORTSA-N 1 3 180.295 1.351 10 0 ADAEHO N[C@@H]1C[C@H]([NH+]2CC=CC2)C12CCC2 404631193 346648270 /nfs/dbraw/zinc/64/82/70/346648270.db2.gz GDEBQBCLASFQLT-ZJUUUORDSA-N 1 3 178.279 1.128 10 0 ADAEHO N[C@H]1C[C@@H]([NH+]2CCCC2)C12CCC2 404679879 346649258 /nfs/dbraw/zinc/64/92/58/346649258.db2.gz ZYNYAUAGAYCTSJ-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO N[C@H]1C[C@H]([NH+]2CCCC2)C12CCC2 404679878 346649318 /nfs/dbraw/zinc/64/93/18/346649318.db2.gz ZYNYAUAGAYCTSJ-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO N[C@@H]1C[C@H]([NH+]2CCCC2)C12CCC2 404679880 346649376 /nfs/dbraw/zinc/64/93/76/346649376.db2.gz ZYNYAUAGAYCTSJ-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO CC(C)N(C)[C@@H]1C[C@@H]([NH3+])C1(C)C 405221701 346660297 /nfs/dbraw/zinc/66/02/97/346660297.db2.gz BBFZDLXLVXXMLQ-RKDXNWHRSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N(C)[C@H]1C[C@@H]([NH3+])C1(C)C 405221695 346660448 /nfs/dbraw/zinc/66/04/48/346660448.db2.gz BBFZDLXLVXXMLQ-BDAKNGLRSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N(C)[C@H]1C[C@H]([NH3+])C1(C)C 405221698 346660503 /nfs/dbraw/zinc/66/05/03/346660503.db2.gz BBFZDLXLVXXMLQ-IUCAKERBSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N(C)[C@@H]1C[C@H]([NH3+])C1(C)C 405221696 346660571 /nfs/dbraw/zinc/66/05/71/346660571.db2.gz BBFZDLXLVXXMLQ-DTWKUNHWSA-N 1 3 170.300 1.452 10 0 ADAEHO CN(C1CC1)[C@@H]1C[C@H]([NH3+])C12CCC2 405253976 346661376 /nfs/dbraw/zinc/66/13/76/346661376.db2.gz JOTPYDHUGAFNJG-VHSXEESVSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1C[C@H](N)C12CCC2 405253976 346661377 /nfs/dbraw/zinc/66/13/77/346661377.db2.gz JOTPYDHUGAFNJG-VHSXEESVSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1C[C@H](N)C12CCC2 405253976 346661378 /nfs/dbraw/zinc/66/13/78/346661378.db2.gz JOTPYDHUGAFNJG-VHSXEESVSA-N 1 3 180.295 1.351 10 0 ADAEHO CC(C)N(C)[C@H]1C[C@@H]([NH3+])C12CCC2 405257934 346661436 /nfs/dbraw/zinc/66/14/36/346661436.db2.gz LSGVYVGGCCYFTQ-ZJUUUORDSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)N(C)[C@@H]1C[C@H]([NH3+])C12CCC2 405257933 346661560 /nfs/dbraw/zinc/66/15/60/346661560.db2.gz LSGVYVGGCCYFTQ-VHSXEESVSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)N(C)[C@H]1C[C@H]([NH3+])C12CCC2 405257932 346661625 /nfs/dbraw/zinc/66/16/25/346661625.db2.gz LSGVYVGGCCYFTQ-UWVGGRQHSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)N(C)[C@@H]1C[C@@H]([NH3+])C12CCC2 405257931 346661677 /nfs/dbraw/zinc/66/16/77/346661677.db2.gz LSGVYVGGCCYFTQ-NXEZZACHSA-N 1 3 182.311 1.597 10 0 ADAEHO CN(C1CC1)[C@H]1C[C@H]([NH3+])C12CCC2 405253974 346661696 /nfs/dbraw/zinc/66/16/96/346661696.db2.gz JOTPYDHUGAFNJG-UWVGGRQHSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1C[C@H](N)C12CCC2 405253974 346661699 /nfs/dbraw/zinc/66/16/99/346661699.db2.gz JOTPYDHUGAFNJG-UWVGGRQHSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1C[C@H](N)C12CCC2 405253974 346661703 /nfs/dbraw/zinc/66/17/03/346661703.db2.gz JOTPYDHUGAFNJG-UWVGGRQHSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1C[C@@H](N)C12CCC2 405253972 346661770 /nfs/dbraw/zinc/66/17/70/346661770.db2.gz JOTPYDHUGAFNJG-NXEZZACHSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1C[C@@H](N)C12CCC2 405253972 346661772 /nfs/dbraw/zinc/66/17/72/346661772.db2.gz JOTPYDHUGAFNJG-NXEZZACHSA-N 1 3 180.295 1.351 10 0 ADAEHO CN(C1CC1)[C@H]1C[C@@H]([NH3+])C12CCC2 405253978 346661778 /nfs/dbraw/zinc/66/17/78/346661778.db2.gz JOTPYDHUGAFNJG-ZJUUUORDSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1C[C@@H](N)C12CCC2 405253978 346661780 /nfs/dbraw/zinc/66/17/80/346661780.db2.gz JOTPYDHUGAFNJG-ZJUUUORDSA-N 1 3 180.295 1.351 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1C[C@@H](N)C12CCC2 405253978 346661781 /nfs/dbraw/zinc/66/17/81/346661781.db2.gz JOTPYDHUGAFNJG-ZJUUUORDSA-N 1 3 180.295 1.351 10 0 ADAEHO CN(C1CC1)[C@@H]1C[C@@H]([NH3+])C1(C)C 405289501 346662581 /nfs/dbraw/zinc/66/25/81/346662581.db2.gz XHLSSKSMKUDGEI-RKDXNWHRSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1C[C@@H](N)C1(C)C 405289501 346662582 /nfs/dbraw/zinc/66/25/82/346662582.db2.gz XHLSSKSMKUDGEI-RKDXNWHRSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1C[C@@H](N)C1(C)C 405289501 346662583 /nfs/dbraw/zinc/66/25/83/346662583.db2.gz XHLSSKSMKUDGEI-RKDXNWHRSA-N 1 3 168.284 1.206 10 0 ADAEHO CN(C1CCC1)[C@H]1C[C@@H]([NH3+])C1(C)C 405289421 346662612 /nfs/dbraw/zinc/66/26/12/346662612.db2.gz XFUPXKUZFXFNDI-ZJUUUORDSA-N 1 3 182.311 1.597 10 0 ADAEHO CN(C1CCC1)[C@@H]1C[C@H]([NH3+])C1(C)C 405289419 346662772 /nfs/dbraw/zinc/66/27/72/346662772.db2.gz XFUPXKUZFXFNDI-VHSXEESVSA-N 1 3 182.311 1.597 10 0 ADAEHO CN(C1CC1)[C@H]1C[C@H]([NH3+])C1(C)C 405289499 346662782 /nfs/dbraw/zinc/66/27/82/346662782.db2.gz XHLSSKSMKUDGEI-IUCAKERBSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1C[C@H](N)C1(C)C 405289499 346662786 /nfs/dbraw/zinc/66/27/86/346662786.db2.gz XHLSSKSMKUDGEI-IUCAKERBSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1C[C@H](N)C1(C)C 405289499 346662788 /nfs/dbraw/zinc/66/27/88/346662788.db2.gz XHLSSKSMKUDGEI-IUCAKERBSA-N 1 3 168.284 1.206 10 0 ADAEHO CN(C1CCC1)[C@H]1C[C@H]([NH3+])C1(C)C 405289418 346662988 /nfs/dbraw/zinc/66/29/88/346662988.db2.gz XFUPXKUZFXFNDI-UWVGGRQHSA-N 1 3 182.311 1.597 10 0 ADAEHO CN(C1CC1)[C@H]1C[C@@H]([NH3+])C1(C)C 405289495 346663036 /nfs/dbraw/zinc/66/30/36/346663036.db2.gz XHLSSKSMKUDGEI-BDAKNGLRSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1C[C@@H](N)C1(C)C 405289495 346663037 /nfs/dbraw/zinc/66/30/37/346663037.db2.gz XHLSSKSMKUDGEI-BDAKNGLRSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1C[C@@H](N)C1(C)C 405289495 346663041 /nfs/dbraw/zinc/66/30/41/346663041.db2.gz XHLSSKSMKUDGEI-BDAKNGLRSA-N 1 3 168.284 1.206 10 0 ADAEHO CN(C1CC1)[C@@H]1C[C@H]([NH3+])C1(C)C 405289497 346663100 /nfs/dbraw/zinc/66/31/00/346663100.db2.gz XHLSSKSMKUDGEI-DTWKUNHWSA-N 1 3 168.284 1.206 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1C[C@H](N)C1(C)C 405289497 346663102 /nfs/dbraw/zinc/66/31/02/346663102.db2.gz XHLSSKSMKUDGEI-DTWKUNHWSA-N 1 3 168.284 1.206 10 0 ADAEHO CN(C1CCC1)[C@@H]1C[C@@H]([NH3+])C1(C)C 405289416 346663117 /nfs/dbraw/zinc/66/31/17/346663117.db2.gz XFUPXKUZFXFNDI-NXEZZACHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1C[C@@H]([NH3+])C1(C)C 405346653 346663903 /nfs/dbraw/zinc/66/39/03/346663903.db2.gz GQQNLOKLXCKTHT-XAVMHZPKSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1C[C@H]([NH3+])C1(C)C 405346654 346664067 /nfs/dbraw/zinc/66/40/67/346664067.db2.gz GQQNLOKLXCKTHT-XGEHTFHBSA-N 1 3 168.284 1.110 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C1(C)C 405346651 346664101 /nfs/dbraw/zinc/66/41/01/346664101.db2.gz GQQNLOKLXCKTHT-BZNPZCIMSA-N 1 3 168.284 1.110 10 0 ADAEHO CC1CC(N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 405388035 346664641 /nfs/dbraw/zinc/66/46/41/346664641.db2.gz LKMDYYFKYHHBJN-HORUIINNSA-N 1 3 182.311 1.500 10 0 ADAEHO CC1CC(N[C@H]2C[C@H]([NH3+])C2(C)C)C1 405388036 346664663 /nfs/dbraw/zinc/66/46/63/346664663.db2.gz LKMDYYFKYHHBJN-QLEHZGMVSA-N 1 3 182.311 1.500 10 0 ADAEHO CC1(C)[C@H]([NH3+])C[C@H]1NC1CCC1 405389970 346664728 /nfs/dbraw/zinc/66/47/28/346664728.db2.gz MAHJUPPDKGIJNB-RKDXNWHRSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@H]1NC1CCC1 405389964 346664857 /nfs/dbraw/zinc/66/48/57/346664857.db2.gz MAHJUPPDKGIJNB-DTWKUNHWSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1CC(N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 405388038 346664866 /nfs/dbraw/zinc/66/48/66/346664866.db2.gz LKMDYYFKYHHBJN-YDYPAMBWSA-N 1 3 182.311 1.500 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC1CCC1 405389967 346664917 /nfs/dbraw/zinc/66/49/17/346664917.db2.gz MAHJUPPDKGIJNB-IUCAKERBSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1CC(N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 405388033 346664926 /nfs/dbraw/zinc/66/49/26/346664926.db2.gz LKMDYYFKYHHBJN-BMNUFHGDSA-N 1 3 182.311 1.500 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@H]1NC1CC=CC1 405408707 346665335 /nfs/dbraw/zinc/66/53/35/346665335.db2.gz SONUQYATBALIGM-VHSXEESVSA-N 1 3 180.295 1.420 10 0 ADAEHO [NH3+][C@@H]1C[C@H](NC2CC2)C12CCC2 405413529 346665343 /nfs/dbraw/zinc/66/53/43/346665343.db2.gz NTJUPQBPATVLSX-BDAKNGLRSA-N 1 3 166.268 1.008 10 0 ADAEHO CC1(C)[C@@H](NC2CC=CC2)C[C@H]1[NH3+] 405408709 346665433 /nfs/dbraw/zinc/66/54/33/346665433.db2.gz SONUQYATBALIGM-ZJUUUORDSA-N 1 3 180.295 1.420 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 405402630 346665496 /nfs/dbraw/zinc/66/54/96/346665496.db2.gz KNSAUGMDFMOSSU-RGOKHQFPSA-N 1 3 180.295 1.254 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 405402629 346665550 /nfs/dbraw/zinc/66/55/50/346665550.db2.gz KNSAUGMDFMOSSU-KATARQTJSA-N 1 3 180.295 1.254 10 0 ADAEHO [NH3+][C@H]1C[C@@H](NC2CC2)C12CCC2 405413531 346665629 /nfs/dbraw/zinc/66/56/29/346665629.db2.gz NTJUPQBPATVLSX-DTWKUNHWSA-N 1 3 166.268 1.008 10 0 ADAEHO [NH3+][C@H]1C[C@H](NC2CC2)C12CCC2 405413532 346665639 /nfs/dbraw/zinc/66/56/39/346665639.db2.gz NTJUPQBPATVLSX-IUCAKERBSA-N 1 3 166.268 1.008 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC1CC=CC1 405408706 346665649 /nfs/dbraw/zinc/66/56/49/346665649.db2.gz SONUQYATBALIGM-UWVGGRQHSA-N 1 3 180.295 1.420 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 405402632 346665740 /nfs/dbraw/zinc/66/57/40/346665740.db2.gz KNSAUGMDFMOSSU-UTINFBMNSA-N 1 3 180.295 1.254 10 0 ADAEHO CC1(C)[C@H]([NH3+])C[C@H]1NC1CC=CC1 405408704 346665804 /nfs/dbraw/zinc/66/58/04/346665804.db2.gz SONUQYATBALIGM-NXEZZACHSA-N 1 3 180.295 1.420 10 0 ADAEHO [NH3+][C@H]1C[C@H](NC2CCC2)C12CCC2 405444299 346666687 /nfs/dbraw/zinc/66/66/87/346666687.db2.gz WIICYYPOJZVGEO-UWVGGRQHSA-N 1 3 180.295 1.398 10 0 ADAEHO [NH3+][C@H]1C[C@@H](NC2CCC2)C12CCC2 405444300 346666822 /nfs/dbraw/zinc/66/68/22/346666822.db2.gz WIICYYPOJZVGEO-VHSXEESVSA-N 1 3 180.295 1.398 10 0 ADAEHO [NH3+][C@@H]1C[C@@H](NC2CCC2)C12CCC2 405444298 346666842 /nfs/dbraw/zinc/66/68/42/346666842.db2.gz WIICYYPOJZVGEO-NXEZZACHSA-N 1 3 180.295 1.398 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[N@H+]1C[C@H]2C[C@H]2C1 405515349 346667225 /nfs/dbraw/zinc/66/72/25/346667225.db2.gz UMHMCZYNFUJORY-UTINFBMNSA-N 1 3 180.295 1.064 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 405515349 346667229 /nfs/dbraw/zinc/66/72/29/346667229.db2.gz UMHMCZYNFUJORY-UTINFBMNSA-N 1 3 180.295 1.064 10 0 ADAEHO CC1(C)[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C[C@H]1N 405515344 346667344 /nfs/dbraw/zinc/66/73/44/346667344.db2.gz UMHMCZYNFUJORY-RGOKHQFPSA-N 1 3 180.295 1.064 10 0 ADAEHO CC1(C)[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C[C@H]1N 405515344 346667347 /nfs/dbraw/zinc/66/73/47/346667347.db2.gz UMHMCZYNFUJORY-RGOKHQFPSA-N 1 3 180.295 1.064 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N1CC[C@@](C)([NH3+])C1 405748338 346671884 /nfs/dbraw/zinc/67/18/84/346671884.db2.gz BZPPAXLPOZDBAJ-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]([C@H]1C[C@H]1C)N1CC[C@@](C)([NH3+])C1 405748340 346672034 /nfs/dbraw/zinc/67/20/34/346672034.db2.gz BZPPAXLPOZDBAJ-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N1CC[C@](C)([NH3+])C1 405748341 346672114 /nfs/dbraw/zinc/67/21/14/346672114.db2.gz BZPPAXLPOZDBAJ-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H](C1CCC1)N1CC[C@](C)([NH3+])C1 405760634 346672483 /nfs/dbraw/zinc/67/24/83/346672483.db2.gz IWPSNDFTJMABHD-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](C1CCC1)N1CC[C@](C)([NH3+])C1 405760629 346672527 /nfs/dbraw/zinc/67/25/27/346672527.db2.gz IWPSNDFTJMABHD-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](C1CCC1)N1CC[C@@](C)([NH3+])C1 405760632 346672565 /nfs/dbraw/zinc/67/25/65/346672565.db2.gz IWPSNDFTJMABHD-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](C1CCC1)N1CC[C@@](C)([NH3+])C1 405760627 346672800 /nfs/dbraw/zinc/67/28/00/346672800.db2.gz IWPSNDFTJMABHD-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@@H](C)N1CC[C@@](C)([NH3+])C1 405765166 346673141 /nfs/dbraw/zinc/67/31/41/346673141.db2.gz ITKMBDWPYPIPIX-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H](C)N1CC[C@@](C)([NH3+])C1 405765173 346673186 /nfs/dbraw/zinc/67/31/86/346673186.db2.gz ITKMBDWPYPIPIX-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@H](C)N1CC[C@](C)([NH3+])C1 405765175 346673363 /nfs/dbraw/zinc/67/33/63/346673363.db2.gz ITKMBDWPYPIPIX-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@H](C)N1CC[C@](C)([NH3+])C1 405765170 346673426 /nfs/dbraw/zinc/67/34/26/346673426.db2.gz ITKMBDWPYPIPIX-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@](C)([NH3+])C1 405789914 346673898 /nfs/dbraw/zinc/67/38/98/346673898.db2.gz KKPAXXLEWGKFDL-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)[C@@H]1C 405786636 346673935 /nfs/dbraw/zinc/67/39/35/346673935.db2.gz JMOMKYTYRQPLLI-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@H]1N1CC[C@@](C)([NH3+])C1 405789912 346673971 /nfs/dbraw/zinc/67/39/71/346673971.db2.gz KKPAXXLEWGKFDL-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CC[C@@](C)([NH3+])C1 405789911 346673993 /nfs/dbraw/zinc/67/39/93/346673993.db2.gz KKPAXXLEWGKFDL-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@](C)([NH3+])C2)C[C@H]1C 405786628 346674011 /nfs/dbraw/zinc/67/40/11/346674011.db2.gz JMOMKYTYRQPLLI-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@@](C)([NH3+])C2)C[C@H]1C 405786632 346674024 /nfs/dbraw/zinc/67/40/24/346674024.db2.gz JMOMKYTYRQPLLI-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@H](N2CC[C@@](C)([NH3+])C2)[C@@H]1C 405786623 346674043 /nfs/dbraw/zinc/67/40/43/346674043.db2.gz JMOMKYTYRQPLLI-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@H]1N1CC[C@](C)([NH3+])C1 405789909 346674162 /nfs/dbraw/zinc/67/41/62/346674162.db2.gz KKPAXXLEWGKFDL-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@]1(N)CC[N@@H+]([C@@H]2C=CCCC2)C1 405815012 346674634 /nfs/dbraw/zinc/67/46/34/346674634.db2.gz UWKMNWSCSTVMPZ-GHMZBOCLSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@]1(N)CC[N@@H+]([C@H]2C=CCCC2)C1 405815015 346674539 /nfs/dbraw/zinc/67/45/39/346674539.db2.gz UWKMNWSCSTVMPZ-QWRGUYRKSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@]1(N)CC[N@H+]([C@H]2C=CCCC2)C1 405815015 346674540 /nfs/dbraw/zinc/67/45/40/346674540.db2.gz UWKMNWSCSTVMPZ-QWRGUYRKSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@@]1(N)CC[N@H+]([C@@H]2C=CCCC2)C1 405815012 346674637 /nfs/dbraw/zinc/67/46/37/346674637.db2.gz UWKMNWSCSTVMPZ-GHMZBOCLSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@]1(N)CC[N@H+](CC2=CCCC2)C1 405810959 346674719 /nfs/dbraw/zinc/67/47/19/346674719.db2.gz YBFBERQWZNLUEH-NSHDSACASA-N 1 3 180.295 1.520 10 0 ADAEHO C[C@]1(N)CC[N@@H+](CC2=CCCC2)C1 405810959 346674722 /nfs/dbraw/zinc/67/47/22/346674722.db2.gz YBFBERQWZNLUEH-NSHDSACASA-N 1 3 180.295 1.520 10 0 ADAEHO C[C@]1([NH3+])CCN(CC2CCCC2)C1 405805664 346674738 /nfs/dbraw/zinc/67/47/38/346674738.db2.gz RHEIBMKTSAOULN-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@]1([NH3+])CCN(CC2CCCC2)C1 405805659 346674751 /nfs/dbraw/zinc/67/47/51/346674751.db2.gz RHEIBMKTSAOULN-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H](C1CC1)N1CC[C@](C)([NH3+])C1 405804119 346674779 /nfs/dbraw/zinc/67/47/79/346674779.db2.gz QSKRJTJUMMZMPJ-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@]1(N)CC[N@@H+]([C@H]2C=CCCC2)C1 405815016 346674824 /nfs/dbraw/zinc/67/48/24/346674824.db2.gz UWKMNWSCSTVMPZ-WDEREUQCSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@@]1(N)CC[N@H+]([C@H]2C=CCCC2)C1 405815016 346674827 /nfs/dbraw/zinc/67/48/27/346674827.db2.gz UWKMNWSCSTVMPZ-WDEREUQCSA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@H](C1CC1)N1CC[C@@](C)([NH3+])C1 405804116 346674838 /nfs/dbraw/zinc/67/48/38/346674838.db2.gz QSKRJTJUMMZMPJ-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@]1([NH3+])CCN([C@@H]2CC[C@@H]3C[C@@H]32)C1 405797500 346674856 /nfs/dbraw/zinc/67/48/56/346674856.db2.gz OCSLUWFUNPCNGC-YTWAJWBKSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@]1(N)CC[N@@H+]([C@@H]2C=CCCC2)C1 405815014 346674927 /nfs/dbraw/zinc/67/49/27/346674927.db2.gz UWKMNWSCSTVMPZ-MNOVXSKESA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@]1(N)CC[N@H+]([C@@H]2C=CCCC2)C1 405815014 346674930 /nfs/dbraw/zinc/67/49/30/346674930.db2.gz UWKMNWSCSTVMPZ-MNOVXSKESA-N 1 3 180.295 1.518 10 0 ADAEHO C[C@H](C1CC1)N1CC[C@](C)([NH3+])C1 405804117 346675013 /nfs/dbraw/zinc/67/50/13/346675013.db2.gz QSKRJTJUMMZMPJ-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@]1([NH3+])CCN([C@@H]2CC[C@H]3C[C@H]32)C1 405797502 346675026 /nfs/dbraw/zinc/67/50/26/346675026.db2.gz OCSLUWFUNPCNGC-ZDCRXTMVSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H](C1CC1)N1CC[C@@](C)([NH3+])C1 405804118 346675052 /nfs/dbraw/zinc/67/50/52/346675052.db2.gz QSKRJTJUMMZMPJ-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@]1(N)CC[N@H+](CC2=CCCC2)C1 405810958 346675152 /nfs/dbraw/zinc/67/51/52/346675152.db2.gz YBFBERQWZNLUEH-LLVKDONJSA-N 1 3 180.295 1.520 10 0 ADAEHO C[C@@]1(N)CC[N@@H+](CC2=CCCC2)C1 405810958 346675155 /nfs/dbraw/zinc/67/51/55/346675155.db2.gz YBFBERQWZNLUEH-LLVKDONJSA-N 1 3 180.295 1.520 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@](C)([NH3+])C2)C1 405826237 346675534 /nfs/dbraw/zinc/67/55/34/346675534.db2.gz ZIKZOSFPQGLWPP-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@]1([NH3+])CCN(CC2CCC2)C1 405832346 346675628 /nfs/dbraw/zinc/67/56/28/346675628.db2.gz SFRYJONDTFGGLU-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@@](C)([NH3+])C2)C1 405826234 346675953 /nfs/dbraw/zinc/67/59/53/346675953.db2.gz ZIKZOSFPQGLWPP-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@]1([NH3+])CCN(CC2CCC2)C1 405832347 346675966 /nfs/dbraw/zinc/67/59/66/346675966.db2.gz SFRYJONDTFGGLU-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@H]1CC[C@@H](N2CC[C@@](C)([NH3+])C2)C1 405826231 346675981 /nfs/dbraw/zinc/67/59/81/346675981.db2.gz ZIKZOSFPQGLWPP-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H](N2CC[C@](C)([NH3+])C2)C1 405826232 346676000 /nfs/dbraw/zinc/67/60/00/346676000.db2.gz ZIKZOSFPQGLWPP-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1CCC(C)(C)[NH3+] 405930642 346677530 /nfs/dbraw/zinc/67/75/30/346677530.db2.gz WEXPDEFKMWYUKY-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CCN1CCC(C)(C)[NH3+] 405930643 346677545 /nfs/dbraw/zinc/67/75/45/346677545.db2.gz WEXPDEFKMWYUKY-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CN(CCC(C)(C)[NH3+])C1 405914772 346677909 /nfs/dbraw/zinc/67/79/09/346677909.db2.gz MEGFFVHGWINPEH-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO CN(C)C[C@H]1C[NH2+]CC12CCCCC2 409420208 346678063 /nfs/dbraw/zinc/67/80/63/346678063.db2.gz XCLYCAFSPXUDGD-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO Cc1ccccc1CC(CN)C[NH3+] 584641127 346739248 /nfs/dbraw/zinc/73/92/48/346739248.db2.gz DJBQQNXYLGOJPR-UHFFFAOYSA-N 1 3 178.279 1.071 10 0 ADAEHO CCN(C)[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 584881386 346748231 /nfs/dbraw/zinc/74/82/31/346748231.db2.gz IGDOTTPCFDSYRX-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN[C@H]2CCCC[C@@H]21 584881099 346748323 /nfs/dbraw/zinc/74/83/23/346748323.db2.gz CKAVUKGVYPFTSF-BBBLOLIVSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCN[C@@H]2CCCC[C@H]21 584881384 346748337 /nfs/dbraw/zinc/74/83/37/346748337.db2.gz IGDOTTPCFDSYRX-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCN[C@@H]2CCCC[C@H]21 584881384 346748340 /nfs/dbraw/zinc/74/83/40/346748340.db2.gz IGDOTTPCFDSYRX-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21 584881384 346748342 /nfs/dbraw/zinc/74/83/42/346748342.db2.gz IGDOTTPCFDSYRX-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCN[C@@H]2CCCC[C@@H]21 584881385 346748382 /nfs/dbraw/zinc/74/83/82/346748382.db2.gz IGDOTTPCFDSYRX-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCN[C@@H]2CCCC[C@@H]21 584881385 346748383 /nfs/dbraw/zinc/74/83/83/346748383.db2.gz IGDOTTPCFDSYRX-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 584881385 346748384 /nfs/dbraw/zinc/74/83/84/346748384.db2.gz IGDOTTPCFDSYRX-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN[C@@H]2CCCC[C@@H]21 584881101 346748415 /nfs/dbraw/zinc/74/84/15/346748415.db2.gz CKAVUKGVYPFTSF-OPRDCNLKSA-N 1 3 168.284 1.127 10 0 ADAEHO C[NH2+][C@@H]1CCN[C@@H]2CCCC[C@H]21 584881100 346748439 /nfs/dbraw/zinc/74/84/39/346748439.db2.gz CKAVUKGVYPFTSF-IVZWLZJFSA-N 1 3 168.284 1.127 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@@H]2CCCC[C@H]21 584881065 346748461 /nfs/dbraw/zinc/74/84/61/346748461.db2.gz CHIPNQGQWFLHIQ-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCN[C@H]2CCCC[C@H]21 584881380 346748468 /nfs/dbraw/zinc/74/84/68/346748468.db2.gz IGDOTTPCFDSYRX-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCN[C@H]2CCCC[C@H]21 584881380 346748469 /nfs/dbraw/zinc/74/84/69/346748469.db2.gz IGDOTTPCFDSYRX-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 584881380 346748472 /nfs/dbraw/zinc/74/84/72/346748472.db2.gz IGDOTTPCFDSYRX-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CCN[C@H]2CCCC[C@H]21 584881091 346748533 /nfs/dbraw/zinc/74/85/33/346748533.db2.gz CKAVUKGVYPFTSF-AEJSXWLSSA-N 1 3 168.284 1.127 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H]2CCCC[C@H]21 584881066 346748543 /nfs/dbraw/zinc/74/85/43/346748543.db2.gz CHIPNQGQWFLHIQ-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[NH2+][C@@H]1CCN[C@@H]2CCCC[C@@H]21 584881881 346749001 /nfs/dbraw/zinc/74/90/01/346749001.db2.gz SCDZDJXDYKSNSY-HBNTYKKESA-N 1 3 182.311 1.517 10 0 ADAEHO CC[NH2+][C@@H]1CCN[C@H]2CCCC[C@H]21 584881883 346749042 /nfs/dbraw/zinc/74/90/42/346749042.db2.gz SCDZDJXDYKSNSY-OUAUKWLOSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[NH2+][C@@H]1CCN[C@@H]2CCCC[C@H]21 584881880 346749062 /nfs/dbraw/zinc/74/90/62/346749062.db2.gz SCDZDJXDYKSNSY-GMTAPVOTSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[NH2+][C@@H]1CCN[C@H]2CCCC[C@@H]21 584881879 346749083 /nfs/dbraw/zinc/74/90/83/346749083.db2.gz SCDZDJXDYKSNSY-GARJFASQSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCN[C@@H]2CCCC[C@@H]21 584881877 346749134 /nfs/dbraw/zinc/74/91/34/346749134.db2.gz SBXLCOZPHMVTKV-QJPTWQEYSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCN[C@H]2CCCC[C@@H]21 584881878 346749179 /nfs/dbraw/zinc/74/91/79/346749179.db2.gz SBXLCOZPHMVTKV-SDDRHHMPSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCN[C@H]2CCCC[C@H]21 584881872 346749205 /nfs/dbraw/zinc/74/92/05/346749205.db2.gz SBXLCOZPHMVTKV-GRYCIOLGSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCN[C@@H]2CCCC[C@H]21 584881874 346749211 /nfs/dbraw/zinc/74/92/11/346749211.db2.gz SBXLCOZPHMVTKV-IJLUTSLNSA-N 1 3 196.338 1.905 10 0 ADAEHO CS[C@H](C)CN[C@H]1CCC[C@@H]1[NH3+] 591568945 346817723 /nfs/dbraw/zinc/81/77/23/346817723.db2.gz BGBGIVYDBLJKIJ-VGMNWLOBSA-N 1 3 188.340 1.207 10 0 ADAEHO CS[C@H](C)CN[C@@H]1CCC[C@H]1[NH3+] 591568944 346817264 /nfs/dbraw/zinc/81/72/64/346817264.db2.gz BGBGIVYDBLJKIJ-IWSPIJDZSA-N 1 3 188.340 1.207 10 0 ADAEHO CS[C@H](C)CN[C@H]1CCC[C@H]1[NH3+] 591568942 346817500 /nfs/dbraw/zinc/81/75/00/346817500.db2.gz BGBGIVYDBLJKIJ-HLTSFMKQSA-N 1 3 188.340 1.207 10 0 ADAEHO CS[C@H](C)CN[C@@H]1CCC[C@@H]1[NH3+] 591568943 346817641 /nfs/dbraw/zinc/81/76/41/346817641.db2.gz BGBGIVYDBLJKIJ-HRDYMLBCSA-N 1 3 188.340 1.207 10 0 ADAEHO C[NH+](C)C1CCN(CCC2CC2)CC1 608492344 347003567 /nfs/dbraw/zinc/00/35/67/347003567.db2.gz OPGYVCWERLDKCA-UHFFFAOYSA-N 1 3 196.338 1.813 10 0 ADAEHO CC[C@H](C)N1C[C@H]2CCC[C@@]2([NH3+])C1 621783615 347234579 /nfs/dbraw/zinc/23/45/79/347234579.db2.gz DINPRNYCZAGZNJ-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C)N1C[C@@H]2CCC[C@@]2([NH3+])C1 621783614 347234744 /nfs/dbraw/zinc/23/47/44/347234744.db2.gz DINPRNYCZAGZNJ-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C)N1C[C@H]2CCC[C@]2([NH3+])C1 621783612 347234758 /nfs/dbraw/zinc/23/47/58/347234758.db2.gz DINPRNYCZAGZNJ-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C)N1C[C@@H]2CCC[C@]2([NH3+])C1 621783613 347234889 /nfs/dbraw/zinc/23/48/89/347234889.db2.gz DINPRNYCZAGZNJ-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)C1CC([NH2+]CC[C@H](C)N)C1 622044402 347236383 /nfs/dbraw/zinc/23/63/83/347236383.db2.gz DLLKUWJJFYBLOR-WHXUTIOJSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)C1CC(NCC[C@H](C)[NH3+])C1 622044402 347236385 /nfs/dbraw/zinc/23/63/85/347236385.db2.gz DLLKUWJJFYBLOR-WHXUTIOJSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@H](N)CC[NH2+][C@H](C)[C@@H]1CC1(C)C 622044503 347236542 /nfs/dbraw/zinc/23/65/42/347236542.db2.gz ILMKVDAPHAMSJI-AEJSXWLSSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H](C)[C@H]1CC1(C)C 622044506 347236548 /nfs/dbraw/zinc/23/65/48/347236548.db2.gz ILMKVDAPHAMSJI-LPEHRKFASA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@H](N)CC[NH2+][C@H](C)[C@H]1CC1(C)C 622044505 347236768 /nfs/dbraw/zinc/23/67/68/347236768.db2.gz ILMKVDAPHAMSJI-IVZWLZJFSA-N 1 3 184.327 1.748 10 0 ADAEHO CC1CC(C[NH2+]C2CCNCC2)C1 622044353 347236782 /nfs/dbraw/zinc/23/67/82/347236782.db2.gz BQDGSVJXQJDSAK-UHFFFAOYSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1CC(C[NH2+][C@@H]2CCCNCC2)C1 622044877 347237348 /nfs/dbraw/zinc/23/73/48/347237348.db2.gz WNUGDGVPPQYYEU-HTAVTVPLSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1CC(C[NH2+][C@H]2CCCNCC2)C1 622044878 347237521 /nfs/dbraw/zinc/23/75/21/347237521.db2.gz WNUGDGVPPQYYEU-MCIGGMRASA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](N)CC[NH2+][C@H](C)C(C)(C)C 622045185 347238097 /nfs/dbraw/zinc/23/80/97/347238097.db2.gz GAFCRLLNDHRIFP-DTWKUNHWSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H](C)C(C)(C)C 622045186 347238226 /nfs/dbraw/zinc/23/82/26/347238226.db2.gz GAFCRLLNDHRIFP-IUCAKERBSA-N 1 3 172.316 1.748 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C 624197367 347271739 /nfs/dbraw/zinc/27/17/39/347271739.db2.gz KIAKEUANPUUDLQ-XEGQIGPUSA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@H+](CC)C[C@@H]1C 624197367 347271741 /nfs/dbraw/zinc/27/17/41/347271741.db2.gz KIAKEUANPUUDLQ-XEGQIGPUSA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@@H+](CC)C[C@H]1C 624197366 347271982 /nfs/dbraw/zinc/27/19/82/347271982.db2.gz KIAKEUANPUUDLQ-WBIIUDBISA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@H+](CC)C[C@H]1C 624197366 347271984 /nfs/dbraw/zinc/27/19/84/347271984.db2.gz KIAKEUANPUUDLQ-WBIIUDBISA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@@H+](CC)C[C@H]1C 624197364 347272165 /nfs/dbraw/zinc/27/21/65/347272165.db2.gz KIAKEUANPUUDLQ-CZVUKNJHSA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C\CN[C@@H]1CC[N@H+](CC)C[C@H]1C 624197364 347272168 /nfs/dbraw/zinc/27/21/68/347272168.db2.gz KIAKEUANPUUDLQ-CZVUKNJHSA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C 624197365 347272176 /nfs/dbraw/zinc/27/21/76/347272176.db2.gz KIAKEUANPUUDLQ-SJCWFQRBSA-N 1 3 196.338 1.882 10 0 ADAEHO C/C=C/CN[C@@H]1CC[N@H+](CC)C[C@@H]1C 624197365 347272177 /nfs/dbraw/zinc/27/21/77/347272177.db2.gz KIAKEUANPUUDLQ-SJCWFQRBSA-N 1 3 196.338 1.882 10 0 ADAEHO C1CC2(C1)NCC[C@@H]2[NH2+]CC1CC1 629385880 347341898 /nfs/dbraw/zinc/34/18/98/347341898.db2.gz AQXRAPOZKYLPBP-JTQLQIEISA-N 1 3 180.295 1.271 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C1 629390296 347341927 /nfs/dbraw/zinc/34/19/27/347341927.db2.gz DNXHUXMWQFJGHS-WISYIIOYSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H]1C 629390153 347341939 /nfs/dbraw/zinc/34/19/39/347341939.db2.gz LLXTWEWDEFCHSR-WRWGMCAJSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1C 629390151 347341945 /nfs/dbraw/zinc/34/19/45/347341945.db2.gz LLXTWEWDEFCHSR-NNYUYHANSA-N 1 3 196.338 1.905 10 0 ADAEHO CC1CCC([NH2+][C@@H]2CCN[C@H]2C)CC1 629405001 347341965 /nfs/dbraw/zinc/34/19/65/347341965.db2.gz FSQUHIYMHVBHTR-POSLAHMBSA-N 1 3 196.338 1.905 10 0 ADAEHO C1CC2(C1)NCC[C@H]2[NH2+]CC1CC1 629385881 347342004 /nfs/dbraw/zinc/34/20/04/347342004.db2.gz AQXRAPOZKYLPBP-SNVBAGLBSA-N 1 3 180.295 1.271 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]CC1CCCCC1 629405004 347342022 /nfs/dbraw/zinc/34/20/22/347342022.db2.gz FTGBPYBSMOGCCM-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 629390294 347342104 /nfs/dbraw/zinc/34/21/04/347342104.db2.gz DNXHUXMWQFJGHS-NOOOWODRSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H]1C 629390150 347342163 /nfs/dbraw/zinc/34/21/63/347342163.db2.gz LLXTWEWDEFCHSR-FIQHERPVSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629404720 347342176 /nfs/dbraw/zinc/34/21/76/347342176.db2.gz CLHRCQYSLYSRBT-OUAUKWLOSA-N 1 3 184.327 1.761 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1CC 629390667 347342232 /nfs/dbraw/zinc/34/22/32/347342232.db2.gz LDVGDNVIPDBDAK-GARJFASQSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H](C)C1 629390295 347342247 /nfs/dbraw/zinc/34/22/47/347342247.db2.gz DNXHUXMWQFJGHS-WHOHXGKFSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC1CC1 629388275 347342257 /nfs/dbraw/zinc/34/22/57/347342257.db2.gz LXJLKVRLVCPPRM-ADEWGFFLSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CC1CC1 629388279 347342287 /nfs/dbraw/zinc/34/22/87/347342287.db2.gz LXJLKVRLVCPPRM-ZMLRMANQSA-N 1 3 196.338 1.905 10 0 ADAEHO CCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629404629 347342298 /nfs/dbraw/zinc/34/22/98/347342298.db2.gz APCRXNMKBUWDIA-GARJFASQSA-N 1 3 184.327 1.905 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1CC 629390668 347342312 /nfs/dbraw/zinc/34/23/12/347342312.db2.gz LDVGDNVIPDBDAK-OUAUKWLOSA-N 1 3 184.327 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@H](C)C1 629390293 347342333 /nfs/dbraw/zinc/34/23/33/347342333.db2.gz DNXHUXMWQFJGHS-FIQHERPVSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@H]1C 629390152 347342395 /nfs/dbraw/zinc/34/23/95/347342395.db2.gz LLXTWEWDEFCHSR-NOOOWODRSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 629408092 347343037 /nfs/dbraw/zinc/34/30/37/347343037.db2.gz QBSCIEOAJVTTRZ-GARJFASQSA-N 1 3 196.338 1.905 10 0 ADAEHO CCC[C@H](CC)[NH2+][C@@H]1CCN[C@H]1C 629406585 347342831 /nfs/dbraw/zinc/34/28/31/347342831.db2.gz OITMGUQMIXDZGP-GARJFASQSA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC1CC1 629408393 347342839 /nfs/dbraw/zinc/34/28/39/347342839.db2.gz USHMPQORNMDWTP-WCABBAIRSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C 629407046 347342847 /nfs/dbraw/zinc/34/28/47/347342847.db2.gz VYLTWYZKSAKYPO-WRWGMCAJSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H]1C 629405646 347342879 /nfs/dbraw/zinc/34/28/79/347342879.db2.gz DCAPSMKFXMWHFZ-LMLFDSFASA-N 1 3 182.311 1.515 10 0 ADAEHO CCC[C@@H](CC)[NH2+][C@@H]1CCN[C@H]1C 629406586 347342906 /nfs/dbraw/zinc/34/29/06/347342906.db2.gz OITMGUQMIXDZGP-HBNTYKKESA-N 1 3 184.327 1.905 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 629406131 347342916 /nfs/dbraw/zinc/34/29/16/347342916.db2.gz OCDQDNMHRGIZMR-NNYUYHANSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+]CC(C)C 629405858 347342940 /nfs/dbraw/zinc/34/29/40/347342940.db2.gz VUHIKCFPGYSSRI-VHSXEESVSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC(CC)C[NH2+][C@@H]1CCN[C@H]1C 629405480 347342952 /nfs/dbraw/zinc/34/29/52/347342952.db2.gz BSGZBZWVFDCRRT-GXSJLCMTSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 629406134 347342958 /nfs/dbraw/zinc/34/29/58/347342958.db2.gz OCDQDNMHRGIZMR-WRWGMCAJSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629407044 347343008 /nfs/dbraw/zinc/34/30/08/347343008.db2.gz VYLTWYZKSAKYPO-NNYUYHANSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629407043 347343021 /nfs/dbraw/zinc/34/30/21/347343021.db2.gz VYLTWYZKSAKYPO-FIQHERPVSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCCC1 629405896 347343052 /nfs/dbraw/zinc/34/30/52/347343052.db2.gz XEHMIWGCIHENHT-WDEREUQCSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C 629407045 347343180 /nfs/dbraw/zinc/34/31/80/347343180.db2.gz VYLTWYZKSAKYPO-NOOOWODRSA-N 1 3 196.338 1.905 10 0 ADAEHO CCC[C@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629407126 347343100 /nfs/dbraw/zinc/34/31/00/347343100.db2.gz VEGQFEGDZLYICF-GARJFASQSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@H]1C 629405648 347343114 /nfs/dbraw/zinc/34/31/14/347343114.db2.gz DCAPSMKFXMWHFZ-VPOLOUISSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 629405404 347343150 /nfs/dbraw/zinc/34/31/50/347343150.db2.gz ACVVBRMLIXVQAB-XWLWVQCSSA-N 1 3 182.311 1.515 10 0 ADAEHO CCC[C@H](C)C[NH2+][C@@H]1CCNC1 629408434 347343195 /nfs/dbraw/zinc/34/31/95/347343195.db2.gz PGZKLCLIGLRSSM-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC1CCC1 629408192 347343206 /nfs/dbraw/zinc/34/32/06/347343206.db2.gz RITQSMDMHCFWOR-JFGNBEQYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC1(C)C 629407756 347343224 /nfs/dbraw/zinc/34/32/24/347343224.db2.gz JZXSYCLABNMHMN-AXFHLTTASA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 629405402 347343245 /nfs/dbraw/zinc/34/32/45/347343245.db2.gz ACVVBRMLIXVQAB-UKKRHICBSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]CC(C)(C)C 629407345 347343269 /nfs/dbraw/zinc/34/32/69/347343269.db2.gz YHDPJTMGYHGZLH-DTWKUNHWSA-N 1 3 170.300 1.373 10 0 ADAEHO CCC[C@@H](C)C[NH2+][C@@H]1CCNC1 629408432 347343321 /nfs/dbraw/zinc/34/33/21/347343321.db2.gz PGZKLCLIGLRSSM-NXEZZACHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 629406132 347343355 /nfs/dbraw/zinc/34/33/55/347343355.db2.gz OCDQDNMHRGIZMR-NOOOWODRSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 629406130 347343431 /nfs/dbraw/zinc/34/34/31/347343431.db2.gz OCDQDNMHRGIZMR-FIQHERPVSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C1 629405401 347343474 /nfs/dbraw/zinc/34/34/74/347343474.db2.gz ACVVBRMLIXVQAB-LMLFDSFASA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC1(C)C 629407757 347343494 /nfs/dbraw/zinc/34/34/94/347343494.db2.gz JZXSYCLABNMHMN-HBNTYKKESA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H](CC1CC1)[NH2+][C@@H]1CCN[C@H]1C 629408391 347343548 /nfs/dbraw/zinc/34/35/48/347343548.db2.gz USHMPQORNMDWTP-ATZCPNFKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCN[C@H]1C 629408190 347343557 /nfs/dbraw/zinc/34/35/57/347343557.db2.gz RITQSMDMHCFWOR-JBLDHEPKSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629405647 347343568 /nfs/dbraw/zinc/34/35/68/347343568.db2.gz DCAPSMKFXMWHFZ-UKKRHICBSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629405649 347343580 /nfs/dbraw/zinc/34/35/80/347343580.db2.gz DCAPSMKFXMWHFZ-XWLWVQCSSA-N 1 3 182.311 1.515 10 0 ADAEHO CCC[C@@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629407127 347343605 /nfs/dbraw/zinc/34/36/05/347343605.db2.gz VEGQFEGDZLYICF-OUAUKWLOSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629405400 347343622 /nfs/dbraw/zinc/34/36/22/347343622.db2.gz ABQCFWUOCZPJRS-KXUCPTDWSA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 629408093 347343633 /nfs/dbraw/zinc/34/36/33/347343633.db2.gz QBSCIEOAJVTTRZ-HBNTYKKESA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 629405403 347343642 /nfs/dbraw/zinc/34/36/42/347343642.db2.gz ACVVBRMLIXVQAB-VPOLOUISSA-N 1 3 182.311 1.515 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C1CC1 629523848 347344962 /nfs/dbraw/zinc/34/49/62/347344962.db2.gz JYGYODONEZMFRV-INTQDDNPSA-N 1 3 182.311 1.515 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H]1C[C@@H]1C 629527657 347344841 /nfs/dbraw/zinc/34/48/41/347344841.db2.gz BNRWCPJPZCYPNT-KZZRWZIVSA-N 1 3 196.338 1.761 10 0 ADAEHO CC1(C)CC(C[N@@H+]2CC[C@@H](CN)C2)C1 629511603 347344852 /nfs/dbraw/zinc/34/48/52/347344852.db2.gz JZAALZIEBNNNAZ-JTQLQIEISA-N 1 3 196.338 1.703 10 0 ADAEHO CC1(C)CC(C[N@H+]2CC[C@@H](CN)C2)C1 629511603 347344854 /nfs/dbraw/zinc/34/48/54/347344854.db2.gz JZAALZIEBNNNAZ-JTQLQIEISA-N 1 3 196.338 1.703 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CC1 629525846 347344876 /nfs/dbraw/zinc/34/48/76/347344876.db2.gz DITGCVDFABJVST-SDDRHHMPSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H]1C[C@H]1C 629527658 347344986 /nfs/dbraw/zinc/34/49/86/347344986.db2.gz BNRWCPJPZCYPNT-LDMBFOFVSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C(C)C 629524434 347344994 /nfs/dbraw/zinc/34/49/94/347344994.db2.gz RRSMWNXLLHIJEA-GARJFASQSA-N 1 3 184.327 1.761 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C(C)C 629524435 347345006 /nfs/dbraw/zinc/34/50/06/347345006.db2.gz RRSMWNXLLHIJEA-OUAUKWLOSA-N 1 3 184.327 1.761 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@@H]1C 629527659 347345054 /nfs/dbraw/zinc/34/50/54/347345054.db2.gz BNRWCPJPZCYPNT-MTVMDMGHSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CC1 629523847 347345190 /nfs/dbraw/zinc/34/51/90/347345190.db2.gz JYGYODONEZMFRV-DVVUODLYSA-N 1 3 182.311 1.515 10 0 ADAEHO CC1(C)CC(C[N@@H+]2CC[C@H](CN)C2)C1 629511604 347345332 /nfs/dbraw/zinc/34/53/32/347345332.db2.gz JZAALZIEBNNNAZ-SNVBAGLBSA-N 1 3 196.338 1.703 10 0 ADAEHO CC1(C)CC(C[N@H+]2CC[C@H](CN)C2)C1 629511604 347345335 /nfs/dbraw/zinc/34/53/35/347345335.db2.gz JZAALZIEBNNNAZ-SNVBAGLBSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](CC)C1CC1 629525845 347345485 /nfs/dbraw/zinc/34/54/85/347345485.db2.gz DITGCVDFABJVST-GRYCIOLGSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C 629527660 347345515 /nfs/dbraw/zinc/34/55/15/347345515.db2.gz BNRWCPJPZCYPNT-PZWNZHSQSA-N 1 3 196.338 1.761 10 0 ADAEHO C/C=C/CN[C@H](C)[C@@H]1CCC[NH2+]C1 629536794 347346031 /nfs/dbraw/zinc/34/60/31/347346031.db2.gz IYGQSJHXAPUBRZ-YIZUVKHSSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C/C[NH2+][C@H](C)[C@@H]1CCCNC1 629536794 347346035 /nfs/dbraw/zinc/34/60/35/347346035.db2.gz IYGQSJHXAPUBRZ-YIZUVKHSSA-N 1 3 182.311 1.540 10 0 ADAEHO C[NH2+]CCCN(C)CC1CC(C)(C)C1 629535474 347346046 /nfs/dbraw/zinc/34/60/46/347346046.db2.gz DCWZOKIXLRYDRJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCCC[N@H+](C)CC1CC(C)(C)C1 629535474 347346049 /nfs/dbraw/zinc/34/60/49/347346049.db2.gz DCWZOKIXLRYDRJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCCC[N@@H+](C)CC1CC(C)(C)C1 629535474 347346051 /nfs/dbraw/zinc/34/60/51/347346051.db2.gz DCWZOKIXLRYDRJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO C/C=C\CN[C@@H]1CC[NH2+]CC[C@H]1C 629535180 347346105 /nfs/dbraw/zinc/34/61/05/347346105.db2.gz CMWFHYHVQOQXMJ-ANDSXOESSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C\CN[C@H](C)[C@@H]1CCC[NH2+]C1 629536789 347346154 /nfs/dbraw/zinc/34/61/54/347346154.db2.gz IYGQSJHXAPUBRZ-ANDSXOESSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C\C[NH2+][C@H](C)[C@@H]1CCCNC1 629536789 347346159 /nfs/dbraw/zinc/34/61/59/347346159.db2.gz IYGQSJHXAPUBRZ-ANDSXOESSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C/C[NH2+][C@@H](C)[C@H]1CCCCN1 629540503 347346255 /nfs/dbraw/zinc/34/62/55/347346255.db2.gz VBRLHKIHENOPOS-MJKAUQOVSA-N 1 3 182.311 1.683 10 0 ADAEHO C/C=C\CN[C@H](C)[C@H]1CCC[NH2+]C1 629536790 347346320 /nfs/dbraw/zinc/34/63/20/347346320.db2.gz IYGQSJHXAPUBRZ-CJOPTALJSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C\C[NH2+][C@H](C)[C@H]1CCCNC1 629536790 347346323 /nfs/dbraw/zinc/34/63/23/347346323.db2.gz IYGQSJHXAPUBRZ-CJOPTALJSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C/CN[C@@H]1CC[NH2+]CC[C@@H]1C 629535205 347346408 /nfs/dbraw/zinc/34/64/08/347346408.db2.gz CMWFHYHVQOQXMJ-MJKAUQOVSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C\C[NH2+][C@@H](C)[C@H]1CCCCN1 629540502 347346490 /nfs/dbraw/zinc/34/64/90/347346490.db2.gz VBRLHKIHENOPOS-CBZSPVTBSA-N 1 3 182.311 1.683 10 0 ADAEHO C/C=C\CN[C@@H]1CC[NH2+]CC[C@@H]1C 629535204 347346507 /nfs/dbraw/zinc/34/65/07/347346507.db2.gz CMWFHYHVQOQXMJ-CBZSPVTBSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C/CN[C@@H]1CC[NH2+]CC[C@H]1C 629535207 347346510 /nfs/dbraw/zinc/34/65/10/347346510.db2.gz CMWFHYHVQOQXMJ-YIZUVKHSSA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C/CN[C@H](C)[C@H]1CCC[NH2+]C1 629536793 347346519 /nfs/dbraw/zinc/34/65/19/347346519.db2.gz IYGQSJHXAPUBRZ-YHROSDCASA-N 1 3 182.311 1.540 10 0 ADAEHO C/C=C/C[NH2+][C@H](C)[C@H]1CCCNC1 629536793 347346521 /nfs/dbraw/zinc/34/65/21/347346521.db2.gz IYGQSJHXAPUBRZ-YHROSDCASA-N 1 3 182.311 1.540 10 0 ADAEHO C[C@H]1C[C@H]1[C@@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 629542434 347346884 /nfs/dbraw/zinc/34/68/84/347346884.db2.gz ZITUJWASLKELFU-MTVMDMGHSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@@H]1CC[C@@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 629541283 347346904 /nfs/dbraw/zinc/34/69/04/347346904.db2.gz SYYOJVFRJMJWKY-KKOKHZNYSA-N 1 3 196.338 1.905 10 0 ADAEHO C/C=C/CN[C@H](C)C[C@@H](C)[NH3+] 629541566 347346949 /nfs/dbraw/zinc/34/69/49/347346949.db2.gz XMLVXBYPMOYKPS-HOMPQPGZSA-N 1 3 156.273 1.278 10 0 ADAEHO C/C=C\CN[C@H](C)C[C@H](C)[NH3+] 629541559 347347009 /nfs/dbraw/zinc/34/70/09/347347009.db2.gz XMLVXBYPMOYKPS-CGECUYNFSA-N 1 3 156.273 1.278 10 0 ADAEHO C/C=C\C[NH2+][C@@H](C)[C@@H]1CCCCN1 629540505 347347036 /nfs/dbraw/zinc/34/70/36/347347036.db2.gz VBRLHKIHENOPOS-WZQADMAKSA-N 1 3 182.311 1.683 10 0 ADAEHO CC[C@@H]1CC[C@@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 629541635 347347103 /nfs/dbraw/zinc/34/71/03/347347103.db2.gz SYYOJVFRJMJWKY-QCNOEVLYSA-N 1 3 196.338 1.905 10 0 ADAEHO C/C=C/CN[C@H](C)C[C@H](C)[NH3+] 629541567 347347108 /nfs/dbraw/zinc/34/71/08/347347108.db2.gz XMLVXBYPMOYKPS-HYNBTVFTSA-N 1 3 156.273 1.278 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629544930 347347163 /nfs/dbraw/zinc/34/71/63/347347163.db2.gz HZKKOPYCGQHKSU-KXUCPTDWSA-N 1 3 170.300 1.371 10 0 ADAEHO C[C@H]1C[C@@H]1[C@@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 629542433 347347231 /nfs/dbraw/zinc/34/72/31/347347231.db2.gz ZITUJWASLKELFU-KNZXXDILSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCN[C@H]1C 629543910 347347238 /nfs/dbraw/zinc/34/72/38/347347238.db2.gz FMKDELZRBCFTLS-JBLDHEPKSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC1(C)C 629544375 347347260 /nfs/dbraw/zinc/34/72/60/347347260.db2.gz LDOBDDOVYPCDTP-XWLWVQCSSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCC1CC1 629543911 347347292 /nfs/dbraw/zinc/34/72/92/347347292.db2.gz FMKDELZRBCFTLS-JFGNBEQYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H](C)[C@H]2C[C@H]2C)C[NH2+]1 629542432 347347295 /nfs/dbraw/zinc/34/72/95/347347295.db2.gz ZITUJWASLKELFU-JCIQBVFBSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CC1 629545567 347347650 /nfs/dbraw/zinc/34/76/50/347347650.db2.gz MGPWIOAUSLIVFG-KHQFGBGNSA-N 1 3 168.284 1.125 10 0 ADAEHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C(C)C 629546313 347347675 /nfs/dbraw/zinc/34/76/75/347347675.db2.gz RVQLZBBSOSFXBP-HBNTYKKESA-N 1 3 184.327 1.761 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H]1C[C@H]1C 629547112 347347975 /nfs/dbraw/zinc/34/79/75/347347975.db2.gz RLSRJWUGHQMBFL-SAVGLBRCSA-N 1 3 182.311 1.371 10 0 ADAEHO CC(C)[C@@H](N[C@@H]1CC[NH2+][C@H]1C)C1CC1 629548843 347347728 /nfs/dbraw/zinc/34/77/28/347347728.db2.gz RJMACFFWGUBPQJ-MVWJERBFSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC1 629548843 347347732 /nfs/dbraw/zinc/34/77/32/347347732.db2.gz RJMACFFWGUBPQJ-MVWJERBFSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)[C@H](N[C@@H]1CC[NH2+][C@H]1C)C1CC1 629548844 347347755 /nfs/dbraw/zinc/34/77/55/347347755.db2.gz RJMACFFWGUBPQJ-WCQGTBRESA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC1 629548844 347347757 /nfs/dbraw/zinc/34/77/57/347347757.db2.gz RJMACFFWGUBPQJ-WCQGTBRESA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H](C)[C@@H]1C[C@H]1C 629547113 347347771 /nfs/dbraw/zinc/34/77/71/347347771.db2.gz RLSRJWUGHQMBFL-ZKKRXERASA-N 1 3 182.311 1.371 10 0 ADAEHO CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629545392 347347819 /nfs/dbraw/zinc/34/78/19/347347819.db2.gz KHTZGSXLNIVXPD-MMWGEVLESA-N 1 3 182.311 1.515 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC1 629545260 347347828 /nfs/dbraw/zinc/34/78/28/347347828.db2.gz AXKCKCAINCKYDA-INTQDDNPSA-N 1 3 182.311 1.515 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1C[C@@H]1C 629547790 347347836 /nfs/dbraw/zinc/34/78/36/347347836.db2.gz UTCCKHOFIFRWMN-HHHUOAJASA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C[C@H]1C 629545543 347347877 /nfs/dbraw/zinc/34/78/77/347347877.db2.gz LIPMGPPPQRLCRM-KJPMQGKISA-N 1 3 182.311 1.371 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@@H](C)[C@H]1C 629545555 347347884 /nfs/dbraw/zinc/34/78/84/347347884.db2.gz LIPMGPPPQRLCRM-NZFPMDFQSA-N 1 3 182.311 1.371 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCC1 629547942 347347913 /nfs/dbraw/zinc/34/79/13/347347913.db2.gz WUYPJRLZWKLFEW-ZMLRMANQSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629545395 347347920 /nfs/dbraw/zinc/34/79/20/347347920.db2.gz KHTZGSXLNIVXPD-UKKRHICBSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]C(C1CC1)C1CC1 629547049 347347969 /nfs/dbraw/zinc/34/79/69/347347969.db2.gz FLXLKIGGCIADLR-GZMMTYOYSA-N 1 3 194.322 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[C@H]1C 629545542 347347982 /nfs/dbraw/zinc/34/79/82/347347982.db2.gz LIPMGPPPQRLCRM-KAMPLNKDSA-N 1 3 182.311 1.371 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629546579 347347996 /nfs/dbraw/zinc/34/79/96/347347996.db2.gz ZVGHQMJQPUSXOY-ZRUFSTJUSA-N 1 3 184.327 1.761 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1C[C@H]1C 629547794 347348041 /nfs/dbraw/zinc/34/80/41/347348041.db2.gz UTCCKHOFIFRWMN-WTPMCQDGSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC1 629545263 347348046 /nfs/dbraw/zinc/34/80/46/347348046.db2.gz AXKCKCAINCKYDA-JMJZKYOTSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C 629547109 347348084 /nfs/dbraw/zinc/34/80/84/347348084.db2.gz RLSRJWUGHQMBFL-KAMPLNKDSA-N 1 3 182.311 1.371 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)C(C)C 629546312 347348089 /nfs/dbraw/zinc/34/80/89/347348089.db2.gz RVQLZBBSOSFXBP-GARJFASQSA-N 1 3 184.327 1.761 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1C[C@@H]1C 629547792 347348130 /nfs/dbraw/zinc/34/81/30/347348130.db2.gz UTCCKHOFIFRWMN-UHFZAUJKSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1C[C@H]1C 629547788 347348138 /nfs/dbraw/zinc/34/81/38/347348138.db2.gz UTCCKHOFIFRWMN-CSYMLDBXSA-N 1 3 196.338 1.761 10 0 ADAEHO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629545391 347348158 /nfs/dbraw/zinc/34/81/58/347348158.db2.gz KHTZGSXLNIVXPD-LNFKQOIKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 629545560 347348168 /nfs/dbraw/zinc/34/81/68/347348168.db2.gz LIPMGPPPQRLCRM-ZKKRXERASA-N 1 3 182.311 1.371 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629546577 347348187 /nfs/dbraw/zinc/34/81/87/347348187.db2.gz ZVGHQMJQPUSXOY-CHWFTXMASA-N 1 3 184.327 1.761 10 0 ADAEHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCC1 629547941 347348205 /nfs/dbraw/zinc/34/82/05/347348205.db2.gz WUYPJRLZWKLFEW-MVWJERBFSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CC1 629545569 347348230 /nfs/dbraw/zinc/34/82/30/347348230.db2.gz MGPWIOAUSLIVFG-OYNCUSHFSA-N 1 3 168.284 1.125 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC1 629553061 347348569 /nfs/dbraw/zinc/34/85/69/347348569.db2.gz JXQFJWRPXAYRAP-MXWKQRLJSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@@H]1CCNC1 629553336 347348709 /nfs/dbraw/zinc/34/87/09/347348709.db2.gz WFEYRICQTVRNQD-KKOKHZNYSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCC1 629549460 347348615 /nfs/dbraw/zinc/34/86/15/347348615.db2.gz WAJOVJQNJZAHIO-JBLDHEPKSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CCNC1 629553062 347348666 /nfs/dbraw/zinc/34/86/66/347348666.db2.gz JXQFJWRPXAYRAP-OUAUKWLOSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629549459 347348802 /nfs/dbraw/zinc/34/88/02/347348802.db2.gz VYKWQENHRAYJRE-YFKTTZPYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1C[C@H]1CN1CC2CC1(C[NH3+])C2 629551230 347348814 /nfs/dbraw/zinc/34/88/14/347348814.db2.gz SJLUZWUQCBQCNR-VKAADOFISA-N 1 3 180.295 1.066 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CCNC1 629553063 347348849 /nfs/dbraw/zinc/34/88/49/347348849.db2.gz JXQFJWRPXAYRAP-VWYCJHECSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)C(C)(C)C 629549479 347348920 /nfs/dbraw/zinc/34/89/20/347348920.db2.gz WMIPVVZCQXAWJH-IVZWLZJFSA-N 1 3 184.327 1.761 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C(C)(C)C 629549480 347348925 /nfs/dbraw/zinc/34/89/25/347348925.db2.gz WMIPVVZCQXAWJH-LPEHRKFASA-N 1 3 184.327 1.761 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1CC2CC1(C[NH3+])C2 629551226 347348976 /nfs/dbraw/zinc/34/89/76/347348976.db2.gz SJLUZWUQCBQCNR-BZCXBAJXSA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CCCC1 629549461 347348985 /nfs/dbraw/zinc/34/89/85/347348985.db2.gz WAJOVJQNJZAHIO-JFGNBEQYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1C[C@@H]1CN1CC2CC1(C[NH3+])C2 629551228 347349051 /nfs/dbraw/zinc/34/90/51/347349051.db2.gz SJLUZWUQCBQCNR-QPBDYMMBSA-N 1 3 180.295 1.066 10 0 ADAEHO CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629549457 347349151 /nfs/dbraw/zinc/34/91/51/347349151.db2.gz VYKWQENHRAYJRE-NNYUYHANSA-N 1 3 196.338 1.905 10 0 ADAEHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629549456 347349158 /nfs/dbraw/zinc/34/91/58/347349158.db2.gz VYKWQENHRAYJRE-IRCOFANPSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC1 629553060 347349228 /nfs/dbraw/zinc/34/92/28/347349228.db2.gz JXQFJWRPXAYRAP-GMTAPVOTSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1C[C@H]1CN1CC2CC1(C[NH3+])C2 629551231 347349263 /nfs/dbraw/zinc/34/92/63/347349263.db2.gz SJLUZWUQCBQCNR-XEAZBWPWSA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCNC1)[C@@H]1CC1(C)C 629553383 347349613 /nfs/dbraw/zinc/34/96/13/347349613.db2.gz YTQLEOMKJPEBAU-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCNC1)[C@H]1CC1(C)C 629553384 347349749 /nfs/dbraw/zinc/34/97/49/347349749.db2.gz YTQLEOMKJPEBAU-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO C1C[C@@H](C[NH2+][C@H]2CCNC2)C2(C1)CC2 629554627 347349771 /nfs/dbraw/zinc/34/97/71/347349771.db2.gz LHQYSGDPXMMUPY-QWRGUYRKSA-N 1 3 194.322 1.518 10 0 ADAEHO C1C[C@H](C[NH2+][C@@H]2CCNC2)C2(C1)CC2 629554625 347349795 /nfs/dbraw/zinc/34/97/95/347349795.db2.gz LHQYSGDPXMMUPY-GHMZBOCLSA-N 1 3 194.322 1.518 10 0 ADAEHO C1C[C@@H](C[NH2+][C@@H]2CCNC2)C2(C1)CC2 629554628 347349812 /nfs/dbraw/zinc/34/98/12/347349812.db2.gz LHQYSGDPXMMUPY-WDEREUQCSA-N 1 3 194.322 1.518 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCNC1 629553341 347350041 /nfs/dbraw/zinc/35/00/41/347350041.db2.gz WFEYRICQTVRNQD-WYUUTHIRSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[C@H](C[NH2+][C@H]2CCNC2)C2(C1)CC2 629554626 347350080 /nfs/dbraw/zinc/35/00/80/347350080.db2.gz LHQYSGDPXMMUPY-MNOVXSKESA-N 1 3 194.322 1.518 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CCN[C@H]1CC 629563600 347350394 /nfs/dbraw/zinc/35/03/94/347350394.db2.gz GYYZKNDWOATVHH-GARJFASQSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)CC 629563601 347350717 /nfs/dbraw/zinc/35/07/17/347350717.db2.gz GYYZKNDWOATVHH-OUAUKWLOSA-N 1 3 184.327 1.763 10 0 ADAEHO CCCCN1C[C@]2(C)C[NH2+]C[C@]2(C)C1 629583889 347351356 /nfs/dbraw/zinc/35/13/56/347351356.db2.gz KBASUTTVXFMVSW-TXEJJXNPSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@]12C[NH2+]C[C@]1(C)CN(CC1CC1)C2 629596408 347351878 /nfs/dbraw/zinc/35/18/78/347351878.db2.gz YGSITISPLVTGJL-TXEJJXNPSA-N 1 3 194.322 1.328 10 0 ADAEHO [NH3+]CCCN1CCCC2(CC1)CC2 629585489 347351898 /nfs/dbraw/zinc/35/18/98/347351898.db2.gz AZMOKELKAMKJCQ-UHFFFAOYSA-N 1 3 182.311 1.601 10 0 ADAEHO NCCC[N@@H+]1CCCC2(CC1)CC2 629585489 347351901 /nfs/dbraw/zinc/35/19/01/347351901.db2.gz AZMOKELKAMKJCQ-UHFFFAOYSA-N 1 3 182.311 1.601 10 0 ADAEHO NCCC[N@H+]1CCCC2(CC1)CC2 629585489 347351902 /nfs/dbraw/zinc/35/19/02/347351902.db2.gz AZMOKELKAMKJCQ-UHFFFAOYSA-N 1 3 182.311 1.601 10 0 ADAEHO CC(C)CN1C[C@]2(C)C[NH2+]C[C@]2(C)C1 629583392 347352018 /nfs/dbraw/zinc/35/20/18/347352018.db2.gz AUDQEUXJBVBBPQ-TXEJJXNPSA-N 1 3 196.338 1.574 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629605627 347352372 /nfs/dbraw/zinc/35/23/72/347352372.db2.gz KWTAKVZBRFDRCV-LPEHRKFASA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629605625 347352506 /nfs/dbraw/zinc/35/25/06/347352506.db2.gz KWTAKVZBRFDRCV-KXUCPTDWSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CCC1 629653780 347354708 /nfs/dbraw/zinc/35/47/08/347354708.db2.gz NOHKVDLIEDHCHG-ADEWGFFLSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCC1 629672823 347354850 /nfs/dbraw/zinc/35/48/50/347354850.db2.gz ZLGJQEVOYHFMPN-ATZCPNFKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CCC1 629672824 347354914 /nfs/dbraw/zinc/35/49/14/347354914.db2.gz ZLGJQEVOYHFMPN-WCABBAIRSA-N 1 3 182.311 1.515 10 0 ADAEHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C1CCC1 629653782 347355022 /nfs/dbraw/zinc/35/50/22/347355022.db2.gz NOHKVDLIEDHCHG-ZMLRMANQSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]CC1(C)CCC1 629671739 347355055 /nfs/dbraw/zinc/35/50/55/347355055.db2.gz FXVXXIDJTFGWPV-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)CCC[NH2+][C@@H]1CCN[C@H]1C 629672468 347355134 /nfs/dbraw/zinc/35/51/34/347355134.db2.gz SLCSVZBPVBEEOX-WDEREUQCSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1NCC[C@H]1[NH2+]CCC(C)(C)C 629671780 347355166 /nfs/dbraw/zinc/35/51/66/347355166.db2.gz GUILUQJXUNDJKZ-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1C[N@H+](CC2CCC2)C[C@@H]1CN 631836645 347388544 /nfs/dbraw/zinc/38/85/44/347388544.db2.gz DDEJJNQVWCQGDI-ONGXEEELSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1CN 631836643 347388490 /nfs/dbraw/zinc/38/84/90/347388490.db2.gz DDEJJNQVWCQGDI-KOLCDFICSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1CN 631836643 347388492 /nfs/dbraw/zinc/38/84/92/347388492.db2.gz DDEJJNQVWCQGDI-KOLCDFICSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H]1C[N@H+](CC2CCCC2)C[C@H]1CN 631837440 347388501 /nfs/dbraw/zinc/38/85/01/347388501.db2.gz BMIJLWABXVZJSU-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CCCC2)C[C@H]1CN 631837440 347388505 /nfs/dbraw/zinc/38/85/05/347388505.db2.gz BMIJLWABXVZJSU-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1CN 631836645 347388546 /nfs/dbraw/zinc/38/85/46/347388546.db2.gz DDEJJNQVWCQGDI-ONGXEEELSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CC=CC2)C[C@H]1CN 631837237 347388615 /nfs/dbraw/zinc/38/86/15/347388615.db2.gz PPGBGKOUWURJSA-ZYHUDNBSSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1CN 631837237 347388619 /nfs/dbraw/zinc/38/86/19/347388619.db2.gz PPGBGKOUWURJSA-ZYHUDNBSSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@@H]1C[N@H+](CCC2CCC2)C[C@@H]1CN 631836781 347388650 /nfs/dbraw/zinc/38/86/50/347388650.db2.gz GRIHXRAYFCKUQK-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CCC2CCC2)C[C@@H]1CN 631836781 347388654 /nfs/dbraw/zinc/38/86/54/347388654.db2.gz GRIHXRAYFCKUQK-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@H+](CCC2CCC2)C[C@H]1CN 631836779 347388666 /nfs/dbraw/zinc/38/86/66/347388666.db2.gz GRIHXRAYFCKUQK-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CCC2CCC2)C[C@H]1CN 631836779 347388671 /nfs/dbraw/zinc/38/86/71/347388671.db2.gz GRIHXRAYFCKUQK-CMPLNLGQSA-N 1 3 196.338 1.703 10 0 ADAEHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CN)C1 631836670 347388691 /nfs/dbraw/zinc/38/86/91/347388691.db2.gz DWRFDQIZYJJCIE-ZYHUDNBSSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CN)C1 631836670 347388693 /nfs/dbraw/zinc/38/86/93/347388693.db2.gz DWRFDQIZYJJCIE-ZYHUDNBSSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CC2CC=CC2)C[C@H]1CN 631837234 347388730 /nfs/dbraw/zinc/38/87/30/347388730.db2.gz PPGBGKOUWURJSA-CMPLNLGQSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CC=CC2)C[C@H]1CN 631837234 347388735 /nfs/dbraw/zinc/38/87/35/347388735.db2.gz PPGBGKOUWURJSA-CMPLNLGQSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CN 631837443 347388770 /nfs/dbraw/zinc/38/87/70/347388770.db2.gz BMIJLWABXVZJSU-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CN 631837443 347388773 /nfs/dbraw/zinc/38/87/73/347388773.db2.gz BMIJLWABXVZJSU-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1CN 631837442 347388811 /nfs/dbraw/zinc/38/88/11/347388811.db2.gz BMIJLWABXVZJSU-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1CN 631837442 347388813 /nfs/dbraw/zinc/38/88/13/347388813.db2.gz BMIJLWABXVZJSU-PWSUYJOCSA-N 1 3 196.338 1.703 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631836503 347388851 /nfs/dbraw/zinc/38/88/51/347388851.db2.gz ALKDCUMXUNQGJF-VWYCJHECSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](CN)C1 631836503 347388854 /nfs/dbraw/zinc/38/88/54/347388854.db2.gz ALKDCUMXUNQGJF-VWYCJHECSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CN)C1 631836502 347388916 /nfs/dbraw/zinc/38/89/16/347388916.db2.gz ALKDCUMXUNQGJF-OUAUKWLOSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CN)C1 631836502 347388919 /nfs/dbraw/zinc/38/89/19/347388919.db2.gz ALKDCUMXUNQGJF-OUAUKWLOSA-N 1 3 184.327 1.558 10 0 ADAEHO C[C@H]1C[N@H+](CC2CCCC2)C[C@@H]1CN 631837441 347388969 /nfs/dbraw/zinc/38/89/69/347388969.db2.gz BMIJLWABXVZJSU-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CCCC2)C[C@@H]1CN 631837441 347388972 /nfs/dbraw/zinc/38/89/72/347388972.db2.gz BMIJLWABXVZJSU-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@H](CN)[C@@H](C)C1 631836500 347389005 /nfs/dbraw/zinc/38/90/05/347389005.db2.gz ALKDCUMXUNQGJF-DCAQKATOSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@H](CN)[C@@H](C)C1 631836500 347389007 /nfs/dbraw/zinc/38/90/07/347389007.db2.gz ALKDCUMXUNQGJF-DCAQKATOSA-N 1 3 184.327 1.558 10 0 ADAEHO CCC(CC)C[N@H+]1C[C@H](CN)[C@@H](C)C1 631836668 347389015 /nfs/dbraw/zinc/38/90/15/347389015.db2.gz DWRFDQIZYJJCIE-JQWIXIFHSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC(CC)C[N@@H+]1C[C@H](CN)[C@@H](C)C1 631836668 347389017 /nfs/dbraw/zinc/38/90/17/347389017.db2.gz DWRFDQIZYJJCIE-JQWIXIFHSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CC2CC=CC2)C[C@@H]1CN 631837235 347389023 /nfs/dbraw/zinc/38/90/23/347389023.db2.gz PPGBGKOUWURJSA-JQWIXIFHSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1CN 631837235 347389025 /nfs/dbraw/zinc/38/90/25/347389025.db2.gz PPGBGKOUWURJSA-JQWIXIFHSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@H]1C[N@H+](CC2CCC2)C[C@H]1CN 631836642 347389084 /nfs/dbraw/zinc/38/90/84/347389084.db2.gz DDEJJNQVWCQGDI-GXSJLCMTSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CCC2)C[C@H]1CN 631836642 347389086 /nfs/dbraw/zinc/38/90/86/347389086.db2.gz DDEJJNQVWCQGDI-GXSJLCMTSA-N 1 3 182.311 1.313 10 0 ADAEHO CCC(CC)C[N@@H+]1C[C@H](C)[C@H](CN)C1 631836667 347389090 /nfs/dbraw/zinc/38/90/90/347389090.db2.gz DWRFDQIZYJJCIE-CMPLNLGQSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC(CC)C[N@H+]1C[C@H](C)[C@H](CN)C1 631836667 347389092 /nfs/dbraw/zinc/38/90/92/347389092.db2.gz DWRFDQIZYJJCIE-CMPLNLGQSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CCC2CCC2)C[C@@H]1CN 631836780 347389097 /nfs/dbraw/zinc/38/90/97/347389097.db2.gz GRIHXRAYFCKUQK-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CCC2CCC2)C[C@@H]1CN 631836780 347389099 /nfs/dbraw/zinc/38/90/99/347389099.db2.gz GRIHXRAYFCKUQK-JQWIXIFHSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)C[C@@H]1CN 631836971 347389123 /nfs/dbraw/zinc/38/91/23/347389123.db2.gz KRKCKNIWJMVNGI-ZNSHCXBVSA-N 1 3 182.311 1.169 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@@H]1CN 631836971 347389124 /nfs/dbraw/zinc/38/91/24/347389124.db2.gz KRKCKNIWJMVNGI-ZNSHCXBVSA-N 1 3 182.311 1.169 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)C[C@@H]1CN 631836970 347389172 /nfs/dbraw/zinc/38/91/72/347389172.db2.gz KRKCKNIWJMVNGI-VLEAKVRGSA-N 1 3 182.311 1.169 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@@H]1CN 631836970 347389173 /nfs/dbraw/zinc/38/91/73/347389173.db2.gz KRKCKNIWJMVNGI-VLEAKVRGSA-N 1 3 182.311 1.169 10 0 ADAEHO CC(C)=CCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631837718 347389180 /nfs/dbraw/zinc/38/91/80/347389180.db2.gz WNBRGCALVITSPO-RYUDHWBXSA-N 1 3 196.338 1.869 10 0 ADAEHO CC(C)=CCC[N@H+]1C[C@H](CN)[C@@H](C)C1 631837718 347389183 /nfs/dbraw/zinc/38/91/83/347389183.db2.gz WNBRGCALVITSPO-RYUDHWBXSA-N 1 3 196.338 1.869 10 0 ADAEHO C[C@@H]1C[N@H+](CCC2CCC2)C[C@H]1CN 631836782 347389191 /nfs/dbraw/zinc/38/91/91/347389191.db2.gz GRIHXRAYFCKUQK-ZYHUDNBSSA-N 1 3 196.338 1.703 10 0 ADAEHO CC(C)=CCC[N@H+]1C[C@H](C)[C@H](CN)C1 631837717 347389199 /nfs/dbraw/zinc/38/91/99/347389199.db2.gz WNBRGCALVITSPO-NWDGAFQWSA-N 1 3 196.338 1.869 10 0 ADAEHO CC(C)=CCC[N@@H+]1C[C@H](C)[C@H](CN)C1 631837717 347389200 /nfs/dbraw/zinc/38/92/00/347389200.db2.gz WNBRGCALVITSPO-NWDGAFQWSA-N 1 3 196.338 1.869 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CN 631836644 347389235 /nfs/dbraw/zinc/38/92/35/347389235.db2.gz DDEJJNQVWCQGDI-MWLCHTKSSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CN 631836644 347389236 /nfs/dbraw/zinc/38/92/36/347389236.db2.gz DDEJJNQVWCQGDI-MWLCHTKSSA-N 1 3 182.311 1.313 10 0 ADAEHO CC(C)=CCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 631837716 347389254 /nfs/dbraw/zinc/38/92/54/347389254.db2.gz WNBRGCALVITSPO-NEPJUHHUSA-N 1 3 196.338 1.869 10 0 ADAEHO CC(C)=CCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631837716 347389255 /nfs/dbraw/zinc/38/92/55/347389255.db2.gz WNBRGCALVITSPO-NEPJUHHUSA-N 1 3 196.338 1.869 10 0 ADAEHO CC(C)=CCC[N@H+]1C[C@@H](C)[C@H](CN)C1 631837719 347389320 /nfs/dbraw/zinc/38/93/20/347389320.db2.gz WNBRGCALVITSPO-VXGBXAGGSA-N 1 3 196.338 1.869 10 0 ADAEHO CC(C)=CCC[N@@H+]1C[C@@H](C)[C@H](CN)C1 631837719 347389321 /nfs/dbraw/zinc/38/93/21/347389321.db2.gz WNBRGCALVITSPO-VXGBXAGGSA-N 1 3 196.338 1.869 10 0 ADAEHO C[C@@H]1C[N@H+](CC2CC=CC2)C[C@@H]1CN 631837236 347389333 /nfs/dbraw/zinc/38/93/33/347389333.db2.gz PPGBGKOUWURJSA-PWSUYJOCSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1CN 631837236 347389334 /nfs/dbraw/zinc/38/93/34/347389334.db2.gz PPGBGKOUWURJSA-PWSUYJOCSA-N 1 3 194.322 1.479 10 0 ADAEHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631836669 347389348 /nfs/dbraw/zinc/38/93/48/347389348.db2.gz DWRFDQIZYJJCIE-PWSUYJOCSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 631836501 347389363 /nfs/dbraw/zinc/38/93/63/347389363.db2.gz ALKDCUMXUNQGJF-GARJFASQSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 631836501 347389364 /nfs/dbraw/zinc/38/93/64/347389364.db2.gz ALKDCUMXUNQGJF-GARJFASQSA-N 1 3 184.327 1.558 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@H](CN)[C@@H](C)C1 631838654 347389815 /nfs/dbraw/zinc/38/98/15/347389815.db2.gz SKIYOIVQQRQUKH-DCAQKATOSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@H](CN)[C@@H](C)C1 631838654 347389816 /nfs/dbraw/zinc/38/98/16/347389816.db2.gz SKIYOIVQQRQUKH-DCAQKATOSA-N 1 3 184.327 1.559 10 0 ADAEHO CCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631842822 347389906 /nfs/dbraw/zinc/38/99/06/347389906.db2.gz GIDUGFXMCRQQHM-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO CCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 631842822 347389908 /nfs/dbraw/zinc/38/99/08/347389908.db2.gz GIDUGFXMCRQQHM-ZJUUUORDSA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H](CN)[C@@H](C)C1 631844314 347390235 /nfs/dbraw/zinc/39/02/35/347390235.db2.gz HQIWPOARAUEFFL-UWVGGRQHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CN)C1 631838656 347389961 /nfs/dbraw/zinc/38/99/61/347389961.db2.gz SKIYOIVQQRQUKH-HBNTYKKESA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CN)C1 631838656 347389964 /nfs/dbraw/zinc/38/99/64/347389964.db2.gz SKIYOIVQQRQUKH-HBNTYKKESA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631838653 347390003 /nfs/dbraw/zinc/39/00/03/347390003.db2.gz SKIYOIVQQRQUKH-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 631838653 347390007 /nfs/dbraw/zinc/39/00/07/347390007.db2.gz SKIYOIVQQRQUKH-AXFHLTTASA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631844316 347390187 /nfs/dbraw/zinc/39/01/87/347390187.db2.gz HQIWPOARAUEFFL-ZJUUUORDSA-N 1 3 170.300 1.169 10 0 ADAEHO CCCCC[N@@H+]1C[C@@H](C)[C@H](CN)C1 631845000 347390166 /nfs/dbraw/zinc/39/01/66/347390166.db2.gz RFHSRBIUQOGCAU-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CCCCC[N@H+]1C[C@@H](C)[C@H](CN)C1 631845000 347390169 /nfs/dbraw/zinc/39/01/69/347390169.db2.gz RFHSRBIUQOGCAU-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 631844316 347390191 /nfs/dbraw/zinc/39/01/91/347390191.db2.gz HQIWPOARAUEFFL-ZJUUUORDSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[N@H+]1C[C@H](CN)[C@@H](C)C1 631844314 347390233 /nfs/dbraw/zinc/39/02/33/347390233.db2.gz HQIWPOARAUEFFL-UWVGGRQHSA-N 1 3 170.300 1.169 10 0 ADAEHO CCCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 631845003 347390275 /nfs/dbraw/zinc/39/02/75/347390275.db2.gz RFHSRBIUQOGCAU-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CCCCC[N@H+]1C[C@H](C)[C@H](CN)C1 631845003 347390280 /nfs/dbraw/zinc/39/02/80/347390280.db2.gz RFHSRBIUQOGCAU-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 631843720 347390353 /nfs/dbraw/zinc/39/03/53/347390353.db2.gz ADWKMXKJMFJTET-WDEREUQCSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 631843720 347390358 /nfs/dbraw/zinc/39/03/58/347390358.db2.gz ADWKMXKJMFJTET-WDEREUQCSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 631844315 347390387 /nfs/dbraw/zinc/39/03/87/347390387.db2.gz HQIWPOARAUEFFL-VHSXEESVSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[N@H+]1C[C@H](C)[C@H](CN)C1 631844315 347390389 /nfs/dbraw/zinc/39/03/89/347390389.db2.gz HQIWPOARAUEFFL-VHSXEESVSA-N 1 3 170.300 1.169 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](CN)[C@@H](C)C1 631838979 347390425 /nfs/dbraw/zinc/39/04/25/347390425.db2.gz XZIOLOOPHNRFJY-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)[C@@H](C)C1 631838979 347390428 /nfs/dbraw/zinc/39/04/28/347390428.db2.gz XZIOLOOPHNRFJY-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO CCCCC[N@H+]1C[C@H](CN)[C@@H](C)C1 631845002 347390439 /nfs/dbraw/zinc/39/04/39/347390439.db2.gz RFHSRBIUQOGCAU-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631845002 347390441 /nfs/dbraw/zinc/39/04/41/347390441.db2.gz RFHSRBIUQOGCAU-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 631838981 347390508 /nfs/dbraw/zinc/39/05/08/347390508.db2.gz XZIOLOOPHNRFJY-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 631838981 347390509 /nfs/dbraw/zinc/39/05/09/347390509.db2.gz XZIOLOOPHNRFJY-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631838982 347390526 /nfs/dbraw/zinc/39/05/26/347390526.db2.gz XZIOLOOPHNRFJY-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](CN)C1 631838982 347390528 /nfs/dbraw/zinc/39/05/28/347390528.db2.gz XZIOLOOPHNRFJY-UTLUCORTSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)CC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631843718 347390565 /nfs/dbraw/zinc/39/05/65/347390565.db2.gz ADWKMXKJMFJTET-MNOVXSKESA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)CC[N@H+]1C[C@@H](C)[C@@H](CN)C1 631843718 347390567 /nfs/dbraw/zinc/39/05/67/347390567.db2.gz ADWKMXKJMFJTET-MNOVXSKESA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CN)C1 631843717 347390610 /nfs/dbraw/zinc/39/06/10/347390610.db2.gz ADWKMXKJMFJTET-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CN)C1 631843717 347390612 /nfs/dbraw/zinc/39/06/12/347390612.db2.gz ADWKMXKJMFJTET-GHMZBOCLSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CN)C1 631844313 347390616 /nfs/dbraw/zinc/39/06/16/347390616.db2.gz HQIWPOARAUEFFL-NXEZZACHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CN)C1 631844313 347390618 /nfs/dbraw/zinc/39/06/18/347390618.db2.gz HQIWPOARAUEFFL-NXEZZACHSA-N 1 3 170.300 1.169 10 0 ADAEHO CC[C@H](C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 631838655 347390652 /nfs/dbraw/zinc/39/06/52/347390652.db2.gz SKIYOIVQQRQUKH-GARJFASQSA-N 1 3 184.327 1.559 10 0 ADAEHO CC[C@H](C)C[N@H+]1C[C@H](C)[C@H](CN)C1 631838655 347390653 /nfs/dbraw/zinc/39/06/53/347390653.db2.gz SKIYOIVQQRQUKH-GARJFASQSA-N 1 3 184.327 1.559 10 0 ADAEHO CCCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631845001 347390671 /nfs/dbraw/zinc/39/06/71/347390671.db2.gz RFHSRBIUQOGCAU-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CCCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 631845001 347390673 /nfs/dbraw/zinc/39/06/73/347390673.db2.gz RFHSRBIUQOGCAU-MNOVXSKESA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)CC[N@H+]1C[C@H](CN)[C@@H](C)C1 631843719 347390692 /nfs/dbraw/zinc/39/06/92/347390692.db2.gz ADWKMXKJMFJTET-QWRGUYRKSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)CC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631843719 347390694 /nfs/dbraw/zinc/39/06/94/347390694.db2.gz ADWKMXKJMFJTET-QWRGUYRKSA-N 1 3 184.327 1.559 10 0 ADAEHO CCCC[N@H+]1C[C@H](CN)[C@@H](C)C1 631842820 347390711 /nfs/dbraw/zinc/39/07/11/347390711.db2.gz GIDUGFXMCRQQHM-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO CCCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631842820 347390714 /nfs/dbraw/zinc/39/07/14/347390714.db2.gz GIDUGFXMCRQQHM-UWVGGRQHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1C[C@@H]2C[C@@H]2C1 631862578 347392409 /nfs/dbraw/zinc/39/24/09/347392409.db2.gz RDDYQIGMOCQNDE-ZIQFBCGOSA-N 1 3 194.322 1.454 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1CC1CC(C)(C)C1 631862234 347392464 /nfs/dbraw/zinc/39/24/64/347392464.db2.gz NJUWOMBKKMZYRB-MWLCHTKSSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN1CC1CC(C)(C)C1 631862230 347392702 /nfs/dbraw/zinc/39/27/02/347392702.db2.gz NJUWOMBKKMZYRB-GXSJLCMTSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1CC1CC(C)(C)C1 631862232 347392923 /nfs/dbraw/zinc/39/29/23/347392923.db2.gz NJUWOMBKKMZYRB-KOLCDFICSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CN1CC1CC(C)(C)C1 631862240 347392934 /nfs/dbraw/zinc/39/29/34/347392934.db2.gz NJUWOMBKKMZYRB-ONGXEEELSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1C[C@@H]2C[C@@H]2C1 631862577 347392952 /nfs/dbraw/zinc/39/29/52/347392952.db2.gz RDDYQIGMOCQNDE-RMPHRYRLSA-N 1 3 194.322 1.454 10 0 ADAEHO CC(C)[NH2+][C@H]1CCNCC(C)(C)C1 634733742 347427271 /nfs/dbraw/zinc/42/72/71/347427271.db2.gz MPCQBTSHCPJJQX-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCNCC(C)(C)C1 634733743 347427615 /nfs/dbraw/zinc/42/76/15/347427615.db2.gz MPCQBTSHCPJJQX-SNVBAGLBSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1([NH2+]CC23CC(CN2)C3)CCCC1 634993204 347433532 /nfs/dbraw/zinc/43/35/32/347433532.db2.gz NHSABWRGEKNTJE-UHFFFAOYSA-N 1 3 194.322 1.661 10 0 ADAEHO CC1(NCC23CC(C[NH2+]2)C3)CCCC1 634993204 347433536 /nfs/dbraw/zinc/43/35/36/347433536.db2.gz NHSABWRGEKNTJE-UHFFFAOYSA-N 1 3 194.322 1.661 10 0 ADAEHO CCC1([NH2+]CC23CC(CN2)C3)CCC1 634993610 347433815 /nfs/dbraw/zinc/43/38/15/347433815.db2.gz ZRBWNKYTLOPQJS-UHFFFAOYSA-N 1 3 194.322 1.661 10 0 ADAEHO C(CC1CC1)[NH2+]CC12CC(CN1)C2 634995782 347434585 /nfs/dbraw/zinc/43/45/85/347434585.db2.gz OTBDVMCQFHVHLZ-UHFFFAOYSA-N 1 3 180.295 1.128 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(C)CC2)C[C@H]1CN 634998881 347435041 /nfs/dbraw/zinc/43/50/41/347435041.db2.gz MGQDGIWSHPMBMT-VHSXEESVSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H]1C[N@H+](CC2(C)CC2)C[C@H]1CN 634998881 347435038 /nfs/dbraw/zinc/43/50/38/347435038.db2.gz MGQDGIWSHPMBMT-VHSXEESVSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(C)CCC2)C[C@H]1CN 634998106 347435082 /nfs/dbraw/zinc/43/50/82/347435082.db2.gz ASEKCPCAUGKKQD-GHMZBOCLSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1CN 634998106 347435084 /nfs/dbraw/zinc/43/50/84/347435084.db2.gz ASEKCPCAUGKKQD-GHMZBOCLSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@H+](CC2(C)CCC2)C[C@H]1CN 634998109 347435090 /nfs/dbraw/zinc/43/50/90/347435090.db2.gz ASEKCPCAUGKKQD-WDEREUQCSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1CN 634998109 347435091 /nfs/dbraw/zinc/43/50/91/347435091.db2.gz ASEKCPCAUGKKQD-WDEREUQCSA-N 1 3 196.338 1.703 10 0 ADAEHO NCCC[NH2+][C@@H]1CCCC12CC2 634997965 347435118 /nfs/dbraw/zinc/43/51/18/347435118.db2.gz XIRWDDNAQMPPOR-SECBINFHSA-N 1 3 168.284 1.258 10 0 ADAEHO C1C[NH2+]C[C@@H](N[C@H]2CCCC23CC3)C1 634998083 347435134 /nfs/dbraw/zinc/43/51/34/347435134.db2.gz AIKSDRVNIOWMPT-QWRGUYRKSA-N 1 3 194.322 1.661 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(C)CCC2)C[C@@H]1CN 634998107 347435175 /nfs/dbraw/zinc/43/51/75/347435175.db2.gz ASEKCPCAUGKKQD-MNOVXSKESA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@@H]1CN 634998107 347435177 /nfs/dbraw/zinc/43/51/77/347435177.db2.gz ASEKCPCAUGKKQD-MNOVXSKESA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(C)CC2)C[C@@H]1CN 634998882 347435219 /nfs/dbraw/zinc/43/52/19/347435219.db2.gz MGQDGIWSHPMBMT-ZJUUUORDSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@@H]1CN 634998882 347435222 /nfs/dbraw/zinc/43/52/22/347435222.db2.gz MGQDGIWSHPMBMT-ZJUUUORDSA-N 1 3 182.311 1.313 10 0 ADAEHO NCCC[NH2+][C@H]1CCCC12CC2 634997966 347435260 /nfs/dbraw/zinc/43/52/60/347435260.db2.gz XIRWDDNAQMPPOR-VIFPVBQESA-N 1 3 168.284 1.258 10 0 ADAEHO C1C[C@H]([NH2+]C2CCNCC2)C2(C1)CC2 634997304 347435290 /nfs/dbraw/zinc/43/52/90/347435290.db2.gz IOTQJAZBOWNGHL-NSHDSACASA-N 1 3 194.322 1.661 10 0 ADAEHO CCC[C@H](C)C[N@H+]1C[C@H](CN)[C@@H](C)C1 634998543 347435297 /nfs/dbraw/zinc/43/52/97/347435297.db2.gz HCOUZPLJRXSZHB-SRVKXCTJSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1C[C@H](CN)[C@@H](C)C1 634998543 347435299 /nfs/dbraw/zinc/43/52/99/347435299.db2.gz HCOUZPLJRXSZHB-SRVKXCTJSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CC2(C)CC2)C[C@@H]1CN 634998880 347435317 /nfs/dbraw/zinc/43/53/17/347435317.db2.gz MGQDGIWSHPMBMT-UWVGGRQHSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(C)CC2)C[C@@H]1CN 634998880 347435320 /nfs/dbraw/zinc/43/53/20/347435320.db2.gz MGQDGIWSHPMBMT-UWVGGRQHSA-N 1 3 182.311 1.313 10 0 ADAEHO C1C[NH2+]C[C@H](N[C@H]2CCCC23CC3)C1 634998082 347435361 /nfs/dbraw/zinc/43/53/61/347435361.db2.gz AIKSDRVNIOWMPT-MNOVXSKESA-N 1 3 194.322 1.661 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 634998542 347435394 /nfs/dbraw/zinc/43/53/94/347435394.db2.gz HCOUZPLJRXSZHB-SDDRHHMPSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](C)C[N@H+]1C[C@H](C)[C@H](CN)C1 634998542 347435398 /nfs/dbraw/zinc/43/53/98/347435398.db2.gz HCOUZPLJRXSZHB-SDDRHHMPSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CC2(C)CCC2)C[C@@H]1CN 634998108 347435468 /nfs/dbraw/zinc/43/54/68/347435468.db2.gz ASEKCPCAUGKKQD-QWRGUYRKSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@@H]1CN 634998108 347435471 /nfs/dbraw/zinc/43/54/71/347435471.db2.gz ASEKCPCAUGKKQD-QWRGUYRKSA-N 1 3 196.338 1.703 10 0 ADAEHO C1C[C@@H]([NH2+]C2CCNCC2)C2(C1)CC2 634997303 347435480 /nfs/dbraw/zinc/43/54/80/347435480.db2.gz IOTQJAZBOWNGHL-LLVKDONJSA-N 1 3 194.322 1.661 10 0 ADAEHO C1C[NH2+]C[C@@H](N[C@@H]2CCCC23CC3)C1 634998084 347435506 /nfs/dbraw/zinc/43/55/06/347435506.db2.gz AIKSDRVNIOWMPT-WDEREUQCSA-N 1 3 194.322 1.661 10 0 ADAEHO C1C[NH2+]C[C@H](N[C@@H]2CCCC23CC3)C1 634998081 347435539 /nfs/dbraw/zinc/43/55/39/347435539.db2.gz AIKSDRVNIOWMPT-GHMZBOCLSA-N 1 3 194.322 1.661 10 0 ADAEHO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CN 634998967 347435558 /nfs/dbraw/zinc/43/55/58/347435558.db2.gz NVJVVXIXDCCDJW-GHMZBOCLSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CN 634998967 347435561 /nfs/dbraw/zinc/43/55/61/347435561.db2.gz NVJVVXIXDCCDJW-GHMZBOCLSA-N 1 3 198.354 1.949 10 0 ADAEHO CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CN)C1 634998541 347435580 /nfs/dbraw/zinc/43/55/80/347435580.db2.gz HCOUZPLJRXSZHB-QJPTWQEYSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@@H+]1C[C@H](C)[C@H](CN)C1 634998672 347435599 /nfs/dbraw/zinc/43/55/99/347435599.db2.gz JGHTZBSOBHLXHZ-NWDGAFQWSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@H+]1C[C@H](C)[C@H](CN)C1 634998672 347435603 /nfs/dbraw/zinc/43/56/03/347435603.db2.gz JGHTZBSOBHLXHZ-NWDGAFQWSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@H+]1C[C@H](CN)[C@@H](C)C1 634998673 347435633 /nfs/dbraw/zinc/43/56/33/347435633.db2.gz JGHTZBSOBHLXHZ-RYUDHWBXSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 634998673 347435635 /nfs/dbraw/zinc/43/56/35/347435635.db2.gz JGHTZBSOBHLXHZ-RYUDHWBXSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 634998671 347435666 /nfs/dbraw/zinc/43/56/66/347435666.db2.gz JGHTZBSOBHLXHZ-NEPJUHHUSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 634998671 347435668 /nfs/dbraw/zinc/43/56/68/347435668.db2.gz JGHTZBSOBHLXHZ-NEPJUHHUSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CN)C1 634998674 347435701 /nfs/dbraw/zinc/43/57/01/347435701.db2.gz JGHTZBSOBHLXHZ-VXGBXAGGSA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CN)C1 634998674 347435707 /nfs/dbraw/zinc/43/57/07/347435707.db2.gz JGHTZBSOBHLXHZ-VXGBXAGGSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCCC12CC2)C1CNC1 635002873 347436000 /nfs/dbraw/zinc/43/60/00/347436000.db2.gz ATHTWEMDZWSBKN-GXSJLCMTSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCCC12CC2)C1CNC1 635002875 347436206 /nfs/dbraw/zinc/43/62/06/347436206.db2.gz ATHTWEMDZWSBKN-MWLCHTKSSA-N 1 3 194.322 1.517 10 0 ADAEHO NCCC[NH2+][C@@]12CCCC[C@@H]1C2 635001050 347436288 /nfs/dbraw/zinc/43/62/88/347436288.db2.gz DDEJGEZIICXKNG-NXEZZACHSA-N 1 3 168.284 1.258 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCCC12CC2)C1CNC1 635002874 347436297 /nfs/dbraw/zinc/43/62/97/347436297.db2.gz ATHTWEMDZWSBKN-KOLCDFICSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1CN 634998969 347436371 /nfs/dbraw/zinc/43/63/71/347436371.db2.gz NVJVVXIXDCCDJW-QWRGUYRKSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1CN 634998969 347436374 /nfs/dbraw/zinc/43/63/74/347436374.db2.gz NVJVVXIXDCCDJW-QWRGUYRKSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CN 634998970 347436543 /nfs/dbraw/zinc/43/65/43/347436543.db2.gz NVJVVXIXDCCDJW-WDEREUQCSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CN 634998970 347436545 /nfs/dbraw/zinc/43/65/45/347436545.db2.gz NVJVVXIXDCCDJW-WDEREUQCSA-N 1 3 198.354 1.949 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCCC12CC2)C1CNC1 635002876 347436556 /nfs/dbraw/zinc/43/65/56/347436556.db2.gz ATHTWEMDZWSBKN-ONGXEEELSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@H](C)CC1CCC1)C1CNC1 635011689 347437152 /nfs/dbraw/zinc/43/71/52/347437152.db2.gz GHEKRBMKCIUNAE-ZJUUUORDSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](CC1CCC1)[NH2+][C@H](C)C1CNC1 635011684 347437281 /nfs/dbraw/zinc/43/72/81/347437281.db2.gz GHEKRBMKCIUNAE-NXEZZACHSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+][C@@H](C)C1CNC1 635011687 347437358 /nfs/dbraw/zinc/43/73/58/347437358.db2.gz GHEKRBMKCIUNAE-UWVGGRQHSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+][C@H](C)C1CNC1 635011688 347437456 /nfs/dbraw/zinc/43/74/56/347437456.db2.gz GHEKRBMKCIUNAE-VHSXEESVSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CCCC[N@H+]1C[C@H](C)CN 11822416 351360941 /nfs/dbraw/zinc/36/09/41/351360941.db2.gz PGXBSYYCBMTSLT-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCCC[N@@H+]1C[C@H](C)CN 11822416 351360947 /nfs/dbraw/zinc/36/09/47/351360947.db2.gz PGXBSYYCBMTSLT-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N)CC1 19802881 351395594 /nfs/dbraw/zinc/39/55/94/351395594.db2.gz YJORDFDZJVWWNU-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N)CC1 19802883 351395656 /nfs/dbraw/zinc/39/56/56/351395656.db2.gz YJORDFDZJVWWNU-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@H](N)[C@@H]([NH+](C)C)C1 23071059 351414623 /nfs/dbraw/zinc/41/46/23/351414623.db2.gz SARRYKPNNUNSNZ-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CC[C@@H](N)[C@@H]([NH+](C)C)C1 23071055 351415054 /nfs/dbraw/zinc/41/50/54/351415054.db2.gz SARRYKPNNUNSNZ-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N)CC2)C1 26516680 351419691 /nfs/dbraw/zinc/41/96/91/351419691.db2.gz XDTXXQOQNZFOEZ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCC[C@@H](N2CCC([NH3+])CC2)C1 26516680 351419696 /nfs/dbraw/zinc/41/96/96/351419696.db2.gz XDTXXQOQNZFOEZ-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(N)CC2)C1 26516684 351419878 /nfs/dbraw/zinc/41/98/78/351419878.db2.gz XDTXXQOQNZFOEZ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCC[C@H](N2CCC([NH3+])CC2)C1 26516684 351419880 /nfs/dbraw/zinc/41/98/80/351419880.db2.gz XDTXXQOQNZFOEZ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@](N)(C[NH3+])C1 35676987 351452187 /nfs/dbraw/zinc/45/21/87/351452187.db2.gz NWZNUCYILWHXJI-SCZZXKLOSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@@](N)(C[NH3+])C1 35676989 351452415 /nfs/dbraw/zinc/45/24/15/351452415.db2.gz NWZNUCYILWHXJI-PSASIEDQSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@@H]1CC[C@H](N)[C@H]([NH+](C)C)C1 36879126 351459490 /nfs/dbraw/zinc/45/94/90/351459490.db2.gz SARRYKPNNUNSNZ-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CC[C@@H](N)[C@H]([NH+](C)C)C1 36879130 351459919 /nfs/dbraw/zinc/45/99/19/351459919.db2.gz SARRYKPNNUNSNZ-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C2CC2)C1 37080927 351462452 /nfs/dbraw/zinc/46/24/52/351462452.db2.gz KAQPBKGFKLZOTR-DVVUODLYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)C2CC2)C1 37080927 351462455 /nfs/dbraw/zinc/46/24/55/351462455.db2.gz KAQPBKGFKLZOTR-DVVUODLYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@H+](C)C2CC2)C1 37080929 351462512 /nfs/dbraw/zinc/46/25/12/351462512.db2.gz KAQPBKGFKLZOTR-FBIMIBRVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@@H+](C)C2CC2)C1 37080929 351462513 /nfs/dbraw/zinc/46/25/13/351462513.db2.gz KAQPBKGFKLZOTR-FBIMIBRVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1CC[C@H](CN)[C@H]([NH+](C)C)C1 37158291 351463474 /nfs/dbraw/zinc/46/34/74/351463474.db2.gz YWWFIHMYWJRUAX-OPRDCNLKSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C)C1 37158291 351463477 /nfs/dbraw/zinc/46/34/77/351463477.db2.gz YWWFIHMYWJRUAX-OPRDCNLKSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)[C@H]([NH+](C)C)C1 37158295 351463482 /nfs/dbraw/zinc/46/34/82/351463482.db2.gz YWWFIHMYWJRUAX-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C)C1 37158295 351463485 /nfs/dbraw/zinc/46/34/85/351463485.db2.gz YWWFIHMYWJRUAX-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H](C)N1CCC([NH2+]C)CC1 37241374 351464229 /nfs/dbraw/zinc/46/42/29/351464229.db2.gz JAGBUNPSSHUEFT-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H](C)[NH+]1CCC(NC)CC1 37241374 351464234 /nfs/dbraw/zinc/46/42/34/351464234.db2.gz JAGBUNPSSHUEFT-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@](N)(C[NH+]1CCCCC1)C1CC1 37479177 351468691 /nfs/dbraw/zinc/46/86/91/351468691.db2.gz LBPWTJYXSQQBOG-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@](N)(C[NH+]1CCCC1)C1CC1 37479121 351468754 /nfs/dbraw/zinc/46/87/54/351468754.db2.gz PRIBHFRBBKWUMB-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@@]([NH3+])(CN1CCCC1)C1CC1 37479121 351468756 /nfs/dbraw/zinc/46/87/56/351468756.db2.gz PRIBHFRBBKWUMB-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@H](C(C)C)[NH+]1CCC(N)CC1 37755121 351474296 /nfs/dbraw/zinc/47/42/96/351474296.db2.gz XYDCPLONYKMOJN-LLVKDONJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1CN 37910129 351475974 /nfs/dbraw/zinc/47/59/74/351475974.db2.gz NVTJDMPTFVORPE-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1CN 37910129 351475977 /nfs/dbraw/zinc/47/59/77/351475977.db2.gz NVTJDMPTFVORPE-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCN1CC1([NH3+])CCCC1 37911236 351476154 /nfs/dbraw/zinc/47/61/54/351476154.db2.gz IYTYYAPQPGTJJV-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[C@@H](C)[NH2+]C1CCNCC1 38040471 351477993 /nfs/dbraw/zinc/47/79/93/351477993.db2.gz BJAUEWKNPMFTFC-MRVPVSSYSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[C@@H](C)[NH2+]CC[C@@H](C)N 40408110 351506492 /nfs/dbraw/zinc/50/64/92/351506492.db2.gz STOQBWAIWQUVET-HTQZYQBOSA-N 1 3 144.262 1.112 10 0 ADAEHO C[C@@H]1CCN(CC2([NH3+])CCCCC2)C1 40725306 351510241 /nfs/dbraw/zinc/51/02/41/351510241.db2.gz URCYBABXZCTCOK-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]1CCN(CC2([NH3+])CCCC2)C1 40725337 351510851 /nfs/dbraw/zinc/51/08/51/351510851.db2.gz UHHFYKDWFNYBTB-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@H]([C@@H](C)[NH3+])N1CC[C@@H](C)C1 41053900 351515808 /nfs/dbraw/zinc/51/58/08/351515808.db2.gz OCPUPUAXKCFMJC-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]1 42172198 351519508 /nfs/dbraw/zinc/51/95/08/351519508.db2.gz JCKDLCRNTDPXJJ-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]2)C1 42171754 351519946 /nfs/dbraw/zinc/51/99/46/351519946.db2.gz KNHNLHMRNRBIAV-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCN(CC[C@@H]2CCC[NH2+]2)C1 42172361 351520208 /nfs/dbraw/zinc/52/02/08/351520208.db2.gz LKKISQBZTZUBJS-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)(N)C[N@@H+]1CCCSCC1 42444896 351522499 /nfs/dbraw/zinc/52/24/99/351522499.db2.gz DUBQNEMSPQSSOX-UHFFFAOYSA-N 1 3 188.340 1.163 10 0 ADAEHO CC(C)(N)C[N@H+]1CCCSCC1 42444896 351522501 /nfs/dbraw/zinc/52/25/01/351522501.db2.gz DUBQNEMSPQSSOX-UHFFFAOYSA-N 1 3 188.340 1.163 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H](CN)CC[C@@H]1C 44412926 351538481 /nfs/dbraw/zinc/53/84/81/351538481.db2.gz LILQUJOPVXAUDM-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1C[C@@H](CN)CC[C@H]1C 44412924 351538744 /nfs/dbraw/zinc/53/87/44/351538744.db2.gz LILQUJOPVXAUDM-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 44374260 351537369 /nfs/dbraw/zinc/53/73/69/351537369.db2.gz ZHKVNGVDIULGLU-FOSCPWQOSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H](CN)CC[C@@H]1C 44412926 351538475 /nfs/dbraw/zinc/53/84/75/351538475.db2.gz LILQUJOPVXAUDM-WDEREUQCSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H](CN)CC[C@H]1C 44412928 351538564 /nfs/dbraw/zinc/53/85/64/351538564.db2.gz LILQUJOPVXAUDM-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1C[C@H](CN)CC[C@H]1C 44412928 351538569 /nfs/dbraw/zinc/53/85/69/351538569.db2.gz LILQUJOPVXAUDM-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[N@H+](CC2CCC2)CCCN1 44390304 351538659 /nfs/dbraw/zinc/53/86/59/351538659.db2.gz PVQLMLSAXQBTCB-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@@H+](CC2CCC2)CCCN1 44390304 351538662 /nfs/dbraw/zinc/53/86/62/351538662.db2.gz PVQLMLSAXQBTCB-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H](CN)CC[C@@H]1C 44412930 351538705 /nfs/dbraw/zinc/53/87/05/351538705.db2.gz LILQUJOPVXAUDM-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1C[C@H](CN)CC[C@@H]1C 44412930 351538706 /nfs/dbraw/zinc/53/87/06/351538706.db2.gz LILQUJOPVXAUDM-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+]1C[C@@H](CN)CC[C@H]1C 44412924 351538743 /nfs/dbraw/zinc/53/87/43/351538743.db2.gz LILQUJOPVXAUDM-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO c1cc(NC[C@@H]2CCCC[NH2+]2)ccn1 44493318 351539647 /nfs/dbraw/zinc/53/96/47/351539647.db2.gz VBOWVIZWWFCRPU-NSHDSACASA-N 1 3 191.278 1.636 10 0 ADAEHO c1cc(NC[C@H]2CCCC[NH2+]2)ccn1 44493320 351540237 /nfs/dbraw/zinc/54/02/37/351540237.db2.gz VBOWVIZWWFCRPU-LLVKDONJSA-N 1 3 191.278 1.636 10 0 ADAEHO CC(C)=CCN1CC[C@H](C[NH3+])C1 50247375 351553400 /nfs/dbraw/zinc/55/34/00/351553400.db2.gz VHWIYYVFTFFFIZ-SNVBAGLBSA-N 1 3 168.284 1.233 10 0 ADAEHO CC(C)=CCN1CC[C@@H](C[NH3+])C1 50247377 351553408 /nfs/dbraw/zinc/55/34/08/351553408.db2.gz VHWIYYVFTFFFIZ-JTQLQIEISA-N 1 3 168.284 1.233 10 0 ADAEHO C[C@@H]1CC[N@H+](CCCN)[C@H](C)C1 51730065 351559426 /nfs/dbraw/zinc/55/94/26/351559426.db2.gz QDFUXIQGKKNUGV-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCCN)[C@H](C)C1 51730065 351559431 /nfs/dbraw/zinc/55/94/31/351559431.db2.gz QDFUXIQGKKNUGV-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CCN(CCC[NH3+])[C@H](C)C1 51730065 351559437 /nfs/dbraw/zinc/55/94/37/351559437.db2.gz QDFUXIQGKKNUGV-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CN(C2CCC2)CC[C@@H]1[NH3+] 52210757 351563430 /nfs/dbraw/zinc/56/34/30/351563430.db2.gz CXMVGGSELJODPM-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1CCC1 52210784 351563869 /nfs/dbraw/zinc/56/38/69/351563869.db2.gz HDOWBVZCKQGHOA-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCC2)CC[C@@H]1N 52210757 351563435 /nfs/dbraw/zinc/56/34/35/351563435.db2.gz CXMVGGSELJODPM-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCC2)CC[C@@H]1N 52210757 351563436 /nfs/dbraw/zinc/56/34/36/351563436.db2.gz CXMVGGSELJODPM-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1CCC1 52210789 351563462 /nfs/dbraw/zinc/56/34/62/351563462.db2.gz HDOWBVZCKQGHOA-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1CCC1 52210789 351563464 /nfs/dbraw/zinc/56/34/64/351563464.db2.gz HDOWBVZCKQGHOA-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C1CCC1 52210789 351563466 /nfs/dbraw/zinc/56/34/66/351563466.db2.gz HDOWBVZCKQGHOA-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1CCC1 52210784 351563874 /nfs/dbraw/zinc/56/38/74/351563874.db2.gz HDOWBVZCKQGHOA-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1C1CCC1 52210784 351563876 /nfs/dbraw/zinc/56/38/76/351563876.db2.gz HDOWBVZCKQGHOA-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@@H+](C2CCC2)C1 52213825 351565138 /nfs/dbraw/zinc/56/51/38/351565138.db2.gz SXXRLEBBPJYVDB-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C[NH+](C2CCC2)C1 52213841 351564804 /nfs/dbraw/zinc/56/48/04/351564804.db2.gz IAYIBJXWBUUCAB-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](C2CCC2)C1 52213831 351565062 /nfs/dbraw/zinc/56/50/62/351565062.db2.gz IQIHPMMMZSDJLD-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](C2CCC2)C1 52213831 351565066 /nfs/dbraw/zinc/56/50/66/351565066.db2.gz IQIHPMMMZSDJLD-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@@H+](C2CCC2)CCCN1 52213790 351565101 /nfs/dbraw/zinc/56/51/01/351565101.db2.gz QUPPNHPQWQAGTP-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CC[N@H+](C2CCC2)CCCN1 52213790 351565103 /nfs/dbraw/zinc/56/51/03/351565103.db2.gz QUPPNHPQWQAGTP-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCN(C2CCC2)CCC[NH2+]1 52213790 351565107 /nfs/dbraw/zinc/56/51/07/351565107.db2.gz QUPPNHPQWQAGTP-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CN[C@H](C)CC[N@H+](C2CCC2)C1 52213825 351565141 /nfs/dbraw/zinc/56/51/41/351565141.db2.gz SXXRLEBBPJYVDB-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[NH2+][C@H](C)CCN(C2CCC2)C1 52213825 351565144 /nfs/dbraw/zinc/56/51/44/351565144.db2.gz SXXRLEBBPJYVDB-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@H+](Cc2occc2CN)C1 52484428 351567415 /nfs/dbraw/zinc/56/74/15/351567415.db2.gz YKICUGCDIKMSOW-SECBINFHSA-N 1 3 194.278 1.580 10 0 ADAEHO C[C@@H]1CC[N@@H+](Cc2occc2CN)C1 52484428 351567418 /nfs/dbraw/zinc/56/74/18/351567418.db2.gz YKICUGCDIKMSOW-SECBINFHSA-N 1 3 194.278 1.580 10 0 ADAEHO C[C@@H]1C[C@H]1NCC1([NH3+])CCCC1 52294654 351567513 /nfs/dbraw/zinc/56/75/13/351567513.db2.gz FUABSUPLTJQALV-RKDXNWHRSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H]1C[C@H]1N1CCC[NH2+]CCC1 52299018 351567657 /nfs/dbraw/zinc/56/76/57/351567657.db2.gz PXFURSJNJRQVCB-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@H]1[NH+]1CCCNCCC1 52299018 351567661 /nfs/dbraw/zinc/56/76/61/351567661.db2.gz PXFURSJNJRQVCB-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@H]1N1CCC[NH2+]CCC1 52299014 351567861 /nfs/dbraw/zinc/56/78/61/351567861.db2.gz PXFURSJNJRQVCB-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH+]1CCCNCCC1 52299014 351567867 /nfs/dbraw/zinc/56/78/67/351567867.db2.gz PXFURSJNJRQVCB-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@H]1NCC1([NH3+])CCCC1 52294648 351567983 /nfs/dbraw/zinc/56/79/83/351567983.db2.gz FUABSUPLTJQALV-BDAKNGLRSA-N 1 3 168.284 1.256 10 0 ADAEHO c1cc(NC[C@@H]2CCC[NH2+]2)ccn1 53255085 351569952 /nfs/dbraw/zinc/56/99/52/351569952.db2.gz DAAQPQNKCGBREW-JTQLQIEISA-N 1 3 177.251 1.246 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CC1CC1 53255641 351570020 /nfs/dbraw/zinc/57/00/20/351570020.db2.gz ILRFUBQDRBDUMZ-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CC1CC1 53255641 351570023 /nfs/dbraw/zinc/57/00/23/351570023.db2.gz ILRFUBQDRBDUMZ-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC1CC1 53255644 351570128 /nfs/dbraw/zinc/57/01/28/351570128.db2.gz ILRFUBQDRBDUMZ-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CC1CC1 53255644 351570132 /nfs/dbraw/zinc/57/01/32/351570132.db2.gz ILRFUBQDRBDUMZ-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO c1cc(NCC[NH+]2CCCC2)ccn1 54128711 351571149 /nfs/dbraw/zinc/57/11/49/351571149.db2.gz YSJMOYXNBUBYFN-UHFFFAOYSA-N 1 3 191.278 1.589 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCCCNC2)C1 54135176 351571539 /nfs/dbraw/zinc/57/15/39/351571539.db2.gz MRLZHQLSZNPAJT-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCCCNC2)C1 54135176 351571541 /nfs/dbraw/zinc/57/15/41/351571541.db2.gz MRLZHQLSZNPAJT-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CCCCNC1 54134822 351571601 /nfs/dbraw/zinc/57/16/01/351571601.db2.gz UDTIVMBDRHKWKD-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CCCCNC1 54134822 351571603 /nfs/dbraw/zinc/57/16/03/351571603.db2.gz UDTIVMBDRHKWKD-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H](C)C[N@@H+]1CCCNC[C@H](C)C1 54490925 351573708 /nfs/dbraw/zinc/57/37/08/351573708.db2.gz AQBLYJAZQXUMRW-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)C[N@H+]1CCCNC[C@H](C)C1 54490925 351573711 /nfs/dbraw/zinc/57/37/11/351573711.db2.gz AQBLYJAZQXUMRW-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)C1CCC(N)(C[NH3+])CC1 54557026 351574100 /nfs/dbraw/zinc/57/41/00/351574100.db2.gz YHKQTNQSTUNZBD-UHFFFAOYSA-N 1 3 170.300 1.489 10 0 ADAEHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 62911503 351590906 /nfs/dbraw/zinc/59/09/06/351590906.db2.gz IWQYSHFWXCWFJM-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@]1(CN2CCCCC2)CC[NH2+]C1 62910937 351590989 /nfs/dbraw/zinc/59/09/89/351590989.db2.gz QPNXJEKMTDCAPD-LLVKDONJSA-N 1 3 182.311 1.472 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH+]1CCCC1 70045452 351601864 /nfs/dbraw/zinc/60/18/64/351601864.db2.gz LYEIRPAJLQVCSL-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH+]1CCCC1 70045449 351602190 /nfs/dbraw/zinc/60/21/90/351602190.db2.gz LYEIRPAJLQVCSL-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 71499235 351611893 /nfs/dbraw/zinc/61/18/93/351611893.db2.gz BAXRGMISMFSZEX-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](N)C2)C1 71499235 351611897 /nfs/dbraw/zinc/61/18/97/351611897.db2.gz BAXRGMISMFSZEX-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](N)C1 71499231 351611956 /nfs/dbraw/zinc/61/19/56/351611956.db2.gz VWFMTMIXFPOEFB-OUAUKWLOSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](N)C1 71499231 351611958 /nfs/dbraw/zinc/61/19/58/351611958.db2.gz VWFMTMIXFPOEFB-OUAUKWLOSA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)C[NH2+][C@H]1CCNC[C@@H]1C 73655383 351619407 /nfs/dbraw/zinc/61/94/07/351619407.db2.gz DXYBDHHJRUTSGM-UWVGGRQHSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)CN1CCC([NH+](C)C)CC1 73652885 351619747 /nfs/dbraw/zinc/61/97/47/351619747.db2.gz NYTCPBJVOCINIV-UHFFFAOYSA-N 1 3 184.327 1.668 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CCNC[C@@H]1C 73655389 351619852 /nfs/dbraw/zinc/61/98/52/351619852.db2.gz DXYBDHHJRUTSGM-VHSXEESVSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CCNC[C@H]1C 73655386 351620011 /nfs/dbraw/zinc/62/00/11/351620011.db2.gz DXYBDHHJRUTSGM-NXEZZACHSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)C[NH2+][C@H]1CCNC[C@H]1C 73655380 351620049 /nfs/dbraw/zinc/62/00/49/351620049.db2.gz DXYBDHHJRUTSGM-ZJUUUORDSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)=CC[NH2+]C1CCNCC1 144282108 351747379 /nfs/dbraw/zinc/74/73/79/351747379.db2.gz PFOOYRJZNKDQFP-UHFFFAOYSA-N 1 3 168.284 1.294 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 163454569 351762624 /nfs/dbraw/zinc/76/26/24/351762624.db2.gz XBHKFSGAAJGMLI-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 163454569 351762629 /nfs/dbraw/zinc/76/26/29/351762629.db2.gz XBHKFSGAAJGMLI-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH+](C)C1CCN(C2CCCC2)CC1 202465882 351782387 /nfs/dbraw/zinc/78/23/87/351782387.db2.gz FCNATAJCUBOJEI-UHFFFAOYSA-N 1 3 196.338 1.955 10 0 ADAEHO C[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 219852222 351791002 /nfs/dbraw/zinc/79/10/02/351791002.db2.gz ZHLHTPMECXYCEB-NEPJUHHUSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 219858351 351791184 /nfs/dbraw/zinc/79/11/84/351791184.db2.gz CDSMQAXRJPSXBS-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 219858306 351791321 /nfs/dbraw/zinc/79/13/21/351791321.db2.gz CDSMQAXRJPSXBS-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 219858905 351791350 /nfs/dbraw/zinc/79/13/50/351791350.db2.gz IWQYSHFWXCWFJM-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 219858955 351791405 /nfs/dbraw/zinc/79/14/05/351791405.db2.gz IWQYSHFWXCWFJM-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 219852269 351791423 /nfs/dbraw/zinc/79/14/23/351791423.db2.gz ZHLHTPMECXYCEB-RYUDHWBXSA-N 1 3 196.338 1.718 10 0 ADAEHO CSCCN1CC[C@@H]([NH3+])[C@@H](C)C1 226001659 351801552 /nfs/dbraw/zinc/80/15/52/351801552.db2.gz WYJMSZZREJPCLU-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO CC[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 228740296 351805951 /nfs/dbraw/zinc/80/59/51/351805951.db2.gz CESCDLUBAAMCIR-RYUDHWBXSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)=CCN[C@@H]1CCC[NH2+]CC1 228836293 351805749 /nfs/dbraw/zinc/80/57/49/351805749.db2.gz CMPZILOKHNRRIZ-LLVKDONJSA-N 1 3 182.311 1.684 10 0 ADAEHO CC(C)=CCN[C@H]1CCC[NH2+]CC1 228836296 351805922 /nfs/dbraw/zinc/80/59/22/351805922.db2.gz CMPZILOKHNRRIZ-NSHDSACASA-N 1 3 182.311 1.684 10 0 ADAEHO CC[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 228740287 351805990 /nfs/dbraw/zinc/80/59/90/351805990.db2.gz CESCDLUBAAMCIR-NEPJUHHUSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[C@@]1([NH3+])CCN2CCC[C@H]1C2 251328567 351834629 /nfs/dbraw/zinc/83/46/29/351834629.db2.gz XTSMGRILBNJZNM-VHSXEESVSA-N 1 3 168.284 1.210 10 0 ADAEHO CCCC[n+]1ccc(CN)cc1 256028100 351847939 /nfs/dbraw/zinc/84/79/39/351847939.db2.gz SYDOMZCVNMSZLZ-UHFFFAOYSA-N 1 3 165.260 1.233 10 0 ADAEHO C[C@H]([C@@H]1CCC[NH2+]C1)N1CCC1 257913018 351854657 /nfs/dbraw/zinc/85/46/57/351854657.db2.gz AROZEHIYUSJDQH-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CCC1 257913024 351854900 /nfs/dbraw/zinc/85/49/00/351854900.db2.gz AROZEHIYUSJDQH-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]([C@H]1CCC[NH2+]C1)N1CCC1 257913021 351854949 /nfs/dbraw/zinc/85/49/49/351854949.db2.gz AROZEHIYUSJDQH-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]([C@H]1CCC[NH2+]C1)N1CCC1 257913026 351854975 /nfs/dbraw/zinc/85/49/75/351854975.db2.gz AROZEHIYUSJDQH-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H](C[C@H]1CCC[NH2+]1)N(C)C 258427968 351861739 /nfs/dbraw/zinc/86/17/39/351861739.db2.gz CLZRYNFSZLDZCI-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@H](C[C@@H]1CCC[NH2+]1)N(C)C 258427964 351861778 /nfs/dbraw/zinc/86/17/78/351861778.db2.gz CLZRYNFSZLDZCI-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H](C[C@H]1CCC[NH2+]1)N(C)C 258427965 351861896 /nfs/dbraw/zinc/86/18/96/351861896.db2.gz CLZRYNFSZLDZCI-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)N(C)C 258427967 351861986 /nfs/dbraw/zinc/86/19/86/351861986.db2.gz CLZRYNFSZLDZCI-IUCAKERBSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[NH2+][C@@H]1CCNC(C)(C)C1 258654004 351865669 /nfs/dbraw/zinc/86/56/69/351865669.db2.gz GDFDGOORPWHYAC-MRVPVSSYSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[NH2+][C@H]1CCNC(C)(C)C1 258654008 351865801 /nfs/dbraw/zinc/86/58/01/351865801.db2.gz GDFDGOORPWHYAC-QMMMGPOBSA-N 1 3 156.273 1.127 10 0 ADAEHO CCCN1CC[C@H]([NH3+])C1(C)C 258747517 351866175 /nfs/dbraw/zinc/86/61/75/351866175.db2.gz JVCFFFOZIHOAIA-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCN1CC[C@@H]([NH3+])C1(C)C 258747514 351866227 /nfs/dbraw/zinc/86/62/27/351866227.db2.gz JVCFFFOZIHOAIA-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1(C)C[C@@H](NC2CC2)CC[NH2+]1 258732100 351866297 /nfs/dbraw/zinc/86/62/97/351866297.db2.gz MOCTVPNDDZFHMV-VIFPVBQESA-N 1 3 168.284 1.269 10 0 ADAEHO CC1(C)C[C@@H]([NH2+]C2CC2)CCN1 258732100 351866298 /nfs/dbraw/zinc/86/62/98/351866298.db2.gz MOCTVPNDDZFHMV-VIFPVBQESA-N 1 3 168.284 1.269 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])C(C)(C)C1 258723866 351866368 /nfs/dbraw/zinc/86/63/68/351866368.db2.gz IPJVHPUJQLLWAN-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC1(C)C[C@H](NC2CC2)CC[NH2+]1 258732098 351866448 /nfs/dbraw/zinc/86/64/48/351866448.db2.gz MOCTVPNDDZFHMV-SECBINFHSA-N 1 3 168.284 1.269 10 0 ADAEHO CC1(C)C[C@H]([NH2+]C2CC2)CCN1 258732098 351866451 /nfs/dbraw/zinc/86/64/51/351866451.db2.gz MOCTVPNDDZFHMV-SECBINFHSA-N 1 3 168.284 1.269 10 0 ADAEHO CC1(C)C[C@H]([NH2+]C2CCC2)CCN1 258680163 351866493 /nfs/dbraw/zinc/86/64/93/351866493.db2.gz CVZMPIHYIITSSH-SNVBAGLBSA-N 1 3 182.311 1.659 10 0 ADAEHO CC1(C)C[C@@H]([NH2+]C2CCC2)CCN1 258680159 351866601 /nfs/dbraw/zinc/86/66/01/351866601.db2.gz CVZMPIHYIITSSH-JTQLQIEISA-N 1 3 182.311 1.659 10 0 ADAEHO CCCCN1CC[C@@H]([NH3+])C(C)(C)C1 258723869 351866651 /nfs/dbraw/zinc/86/66/51/351866651.db2.gz IPJVHPUJQLLWAN-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CCNC(C)(C)C1 258808120 351867077 /nfs/dbraw/zinc/86/70/77/351867077.db2.gz MTUPZJSBIHMEKL-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CCNC(C)(C)C1 258808120 351867082 /nfs/dbraw/zinc/86/70/82/351867082.db2.gz MTUPZJSBIHMEKL-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[NH2+]C(C)(C)C1 258808120 351867084 /nfs/dbraw/zinc/86/70/84/351867084.db2.gz MTUPZJSBIHMEKL-SNVBAGLBSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(C)[C@@H]1CC[NH2+]C(C)(C)C1 258843505 351867196 /nfs/dbraw/zinc/86/71/96/351867196.db2.gz PHTGBQSWVDUTNJ-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCNC(C)(C)C1 258843505 351867199 /nfs/dbraw/zinc/86/71/99/351867199.db2.gz PHTGBQSWVDUTNJ-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCNC(C)(C)C1 258843505 351867201 /nfs/dbraw/zinc/86/72/01/351867201.db2.gz PHTGBQSWVDUTNJ-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCNC(C)(C)C1 258808118 351867419 /nfs/dbraw/zinc/86/74/19/351867419.db2.gz MTUPZJSBIHMEKL-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@H+](C)[C@H]1CCNC(C)(C)C1 258843509 351867494 /nfs/dbraw/zinc/86/74/94/351867494.db2.gz PHTGBQSWVDUTNJ-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCNC(C)(C)C1 258793497 351867361 /nfs/dbraw/zinc/86/73/61/351867361.db2.gz RWCVUYGOUXPMLZ-SECBINFHSA-N 1 3 170.300 1.515 10 0 ADAEHO CC(C)CN1CC[C@H]([NH3+])C(C)(C)C1 258807371 351867385 /nfs/dbraw/zinc/86/73/85/351867385.db2.gz NTNAPHWWZIMRQK-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCNC(C)(C)C1 258808118 351867421 /nfs/dbraw/zinc/86/74/21/351867421.db2.gz MTUPZJSBIHMEKL-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)N(C)[C@H]1CC[NH2+]C(C)(C)C1 258808118 351867422 /nfs/dbraw/zinc/86/74/22/351867422.db2.gz MTUPZJSBIHMEKL-JTQLQIEISA-N 1 3 184.327 1.857 10 0 ADAEHO CCCN1CC[C@@H]([NH3+])C(C)(C)C1 258817163 351867461 /nfs/dbraw/zinc/86/74/61/351867461.db2.gz OKWGJVCDBOXHGX-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)CN1CC[C@@H]([NH3+])C(C)(C)C1 258807375 351867483 /nfs/dbraw/zinc/86/74/83/351867483.db2.gz NTNAPHWWZIMRQK-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CCN(C)[C@H]1CC[NH2+]C(C)(C)C1 258843509 351867492 /nfs/dbraw/zinc/86/74/92/351867492.db2.gz PHTGBQSWVDUTNJ-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCNC(C)(C)C1 258843509 351867497 /nfs/dbraw/zinc/86/74/97/351867497.db2.gz PHTGBQSWVDUTNJ-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[NH2+][C@H]1CCNC(C)(C)C1 258793499 351867660 /nfs/dbraw/zinc/86/76/60/351867660.db2.gz RWCVUYGOUXPMLZ-VIFPVBQESA-N 1 3 170.300 1.515 10 0 ADAEHO CCCN1CC[C@H]([NH3+])C(C)(C)C1 258817167 351867676 /nfs/dbraw/zinc/86/76/76/351867676.db2.gz OKWGJVCDBOXHGX-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO Cc1cc([C@@H](N)CC[NH3+])ccc1F 259260168 351871718 /nfs/dbraw/zinc/87/17/18/351871718.db2.gz ILUJYQJIKRZTDW-JTQLQIEISA-N 1 3 182.242 1.483 10 0 ADAEHO CC[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 259269475 351871802 /nfs/dbraw/zinc/87/18/02/351871802.db2.gz NOMBSNUNGQPUCM-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1cc([C@H](N)CC[NH3+])ccc1F 259260172 351871902 /nfs/dbraw/zinc/87/19/02/351871902.db2.gz ILUJYQJIKRZTDW-SNVBAGLBSA-N 1 3 182.242 1.483 10 0 ADAEHO CC[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 259269478 351871993 /nfs/dbraw/zinc/87/19/93/351871993.db2.gz NOMBSNUNGQPUCM-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 259269470 351872220 /nfs/dbraw/zinc/87/22/20/351872220.db2.gz NOMBSNUNGQPUCM-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 259269465 351872261 /nfs/dbraw/zinc/87/22/61/351872261.db2.gz NOMBSNUNGQPUCM-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)C[N@@H+](C2CC2)CC[C@@H]1N 259299726 351872504 /nfs/dbraw/zinc/87/25/04/351872504.db2.gz PPGBQCMOSZFJFZ-VIFPVBQESA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[N@H+](C2CC2)CC[C@@H]1N 259299726 351872507 /nfs/dbraw/zinc/87/25/07/351872507.db2.gz PPGBQCMOSZFJFZ-VIFPVBQESA-N 1 3 168.284 1.208 10 0 ADAEHO Cc1ccc([C@@H](N)CC[NH3+])cc1C 259331531 351872630 /nfs/dbraw/zinc/87/26/30/351872630.db2.gz LFZLJOVHUKODHX-NSHDSACASA-N 1 3 178.279 1.652 10 0 ADAEHO Cc1cccc([C@@H](N)CC[NH3+])c1 259311240 351872642 /nfs/dbraw/zinc/87/26/42/351872642.db2.gz KMQDOHMNXKGHHF-JTQLQIEISA-N 1 3 164.252 1.344 10 0 ADAEHO Cc1cccc([C@H](N)CC[NH3+])c1 259311242 351872669 /nfs/dbraw/zinc/87/26/69/351872669.db2.gz KMQDOHMNXKGHHF-SNVBAGLBSA-N 1 3 164.252 1.344 10 0 ADAEHO CC1(C)CN(C2CC2)CC[C@H]1[NH3+] 259299721 351872949 /nfs/dbraw/zinc/87/29/49/351872949.db2.gz PPGBQCMOSZFJFZ-SECBINFHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[N@@H+](C2CC2)CC[C@H]1N 259299721 351872953 /nfs/dbraw/zinc/87/29/53/351872953.db2.gz PPGBQCMOSZFJFZ-SECBINFHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)C[N@H+](C2CC2)CC[C@H]1N 259299721 351872956 /nfs/dbraw/zinc/87/29/56/351872956.db2.gz PPGBQCMOSZFJFZ-SECBINFHSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[N@H+]1CC[C@H](CN)[C@@H]1C 259374310 351873504 /nfs/dbraw/zinc/87/35/04/351873504.db2.gz KYLWRZWHZODBSI-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+]1CC[C@H](CN)[C@H]1C 259376438 351873414 /nfs/dbraw/zinc/87/34/14/351873414.db2.gz KYLWRZWHZODBSI-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@H](CN)[C@H]1C 259376438 351873416 /nfs/dbraw/zinc/87/34/16/351873416.db2.gz KYLWRZWHZODBSI-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])C(C)(C)C1 259375552 351873485 /nfs/dbraw/zinc/87/34/85/351873485.db2.gz VRKGZOMNLKVHMP-SECBINFHSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[N@@H+]1CC[C@H](CN)[C@@H]1C 259374310 351873499 /nfs/dbraw/zinc/87/34/99/351873499.db2.gz KYLWRZWHZODBSI-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](CN)[C@H]1C 259374305 351873580 /nfs/dbraw/zinc/87/35/80/351873580.db2.gz KYLWRZWHZODBSI-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@@H](CN)[C@H]1C 259374305 351873584 /nfs/dbraw/zinc/87/35/84/351873584.db2.gz KYLWRZWHZODBSI-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](CN)[C@@H]1C 259374315 351873732 /nfs/dbraw/zinc/87/37/32/351873732.db2.gz KYLWRZWHZODBSI-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[N@H+]1CC[C@@H](CN)[C@@H]1C 259374315 351873738 /nfs/dbraw/zinc/87/37/38/351873738.db2.gz KYLWRZWHZODBSI-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])C(C)(C)C1 259375557 351873954 /nfs/dbraw/zinc/87/39/54/351873954.db2.gz VRKGZOMNLKVHMP-VIFPVBQESA-N 1 3 170.300 1.454 10 0 ADAEHO Cc1ccc(C)c([C@H](N)CC[NH3+])c1 259409158 351874219 /nfs/dbraw/zinc/87/42/19/351874219.db2.gz OLZHGOMDCUXPFA-LLVKDONJSA-N 1 3 178.279 1.652 10 0 ADAEHO C[C@H]1[C@H](CN)CC[N@@H+]1C1CCCC1 259438223 351874246 /nfs/dbraw/zinc/87/42/46/351874246.db2.gz OKCWBJRVPBTXFE-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1[C@H](CN)CC[N@H+]1C1CCCC1 259438223 351874248 /nfs/dbraw/zinc/87/42/48/351874248.db2.gz OKCWBJRVPBTXFE-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO Cc1ccc(C)c([C@@H](N)CC[NH3+])c1 259409162 351874317 /nfs/dbraw/zinc/87/43/17/351874317.db2.gz OLZHGOMDCUXPFA-NSHDSACASA-N 1 3 178.279 1.652 10 0 ADAEHO C[C@H]1[C@@H](CN)CC[N@@H+]1C1CCCC1 259438224 351874412 /nfs/dbraw/zinc/87/44/12/351874412.db2.gz OKCWBJRVPBTXFE-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1[C@@H](CN)CC[N@H+]1C1CCCC1 259438224 351874416 /nfs/dbraw/zinc/87/44/16/351874416.db2.gz OKCWBJRVPBTXFE-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1[C@@H](CN)CC[N@@H+]1C1CCCC1 259438222 351874495 /nfs/dbraw/zinc/87/44/95/351874495.db2.gz OKCWBJRVPBTXFE-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1[C@@H](CN)CC[N@H+]1C1CCCC1 259438222 351874498 /nfs/dbraw/zinc/87/44/98/351874498.db2.gz OKCWBJRVPBTXFE-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1[C@H](CN)CC[N@@H+]1C1CCCC1 259438225 351874687 /nfs/dbraw/zinc/87/46/87/351874687.db2.gz OKCWBJRVPBTXFE-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1[C@H](CN)CC[N@H+]1C1CCCC1 259438225 351874690 /nfs/dbraw/zinc/87/46/90/351874690.db2.gz OKCWBJRVPBTXFE-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO N[C@H](CC[NH3+])c1c[nH]c2ccccc12 259461880 351875075 /nfs/dbraw/zinc/87/50/75/351875075.db2.gz RARAEJNJGIQGEB-SNVBAGLBSA-N 1 3 189.262 1.517 10 0 ADAEHO N[C@@H](CC[NH3+])c1c[nH]c2ccccc12 259461878 351875155 /nfs/dbraw/zinc/87/51/55/351875155.db2.gz RARAEJNJGIQGEB-JTQLQIEISA-N 1 3 189.262 1.517 10 0 ADAEHO Cc1ccc([C@H](N)CC[NH3+])c(C)c1 259521691 351876031 /nfs/dbraw/zinc/87/60/31/351876031.db2.gz VVDCHMVXEJGVEK-LLVKDONJSA-N 1 3 178.279 1.652 10 0 ADAEHO Cc1ccc([C@@H](N)CC[NH3+])c(C)c1 259521693 351876321 /nfs/dbraw/zinc/87/63/21/351876321.db2.gz VVDCHMVXEJGVEK-NSHDSACASA-N 1 3 178.279 1.652 10 0 ADAEHO Cc1cc(C)c([C@H](N)CC[NH3+])c(C)c1 259590646 351876560 /nfs/dbraw/zinc/87/65/60/351876560.db2.gz ZUKQZVPVVYIVAV-LLVKDONJSA-N 1 3 192.306 1.960 10 0 ADAEHO Cc1cc(C)c([C@@H](N)CC[NH3+])c(C)c1 259590651 351877112 /nfs/dbraw/zinc/87/71/12/351877112.db2.gz ZUKQZVPVVYIVAV-NSHDSACASA-N 1 3 192.306 1.960 10 0 ADAEHO C1C[NH2+]C[C@H](CN2CC[C@@H]3C[C@@H]32)C1 259626616 351877699 /nfs/dbraw/zinc/87/76/99/351877699.db2.gz BVUSRJGOVLBXLE-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)C1 259626616 351877701 /nfs/dbraw/zinc/87/77/01/351877701.db2.gz BVUSRJGOVLBXLE-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@H](C[N@H+]2CC[C@@H]3C[C@@H]32)C1 259626616 351877704 /nfs/dbraw/zinc/87/77/04/351877704.db2.gz BVUSRJGOVLBXLE-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[NH2+]C[C@H](CN2CC[C@H]3C[C@H]32)C1 259626622 351877734 /nfs/dbraw/zinc/87/77/34/351877734.db2.gz BVUSRJGOVLBXLE-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@H](C[N@@H+]2CC[C@H]3C[C@H]32)C1 259626622 351877737 /nfs/dbraw/zinc/87/77/37/351877737.db2.gz BVUSRJGOVLBXLE-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@H](C[N@H+]2CC[C@H]3C[C@H]32)C1 259626622 351877739 /nfs/dbraw/zinc/87/77/39/351877739.db2.gz BVUSRJGOVLBXLE-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C)CC([NH2+]C2CCNCC2)C1 259860845 351881305 /nfs/dbraw/zinc/88/13/05/351881305.db2.gz XDQJPVDETOAXFP-UHFFFAOYSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(C)CCC2)CC[C@H]1N 300384537 351896632 /nfs/dbraw/zinc/89/66/32/351896632.db2.gz MOGLZXNTTHABGM-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1N 300384537 351896636 /nfs/dbraw/zinc/89/66/36/351896636.db2.gz MOGLZXNTTHABGM-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CN(CC2(C)CCC2)CC[C@H]1[NH3+] 300384537 351896637 /nfs/dbraw/zinc/89/66/37/351896637.db2.gz MOGLZXNTTHABGM-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCN1C[C@]1(C)C[NH2+]C[C@@H]1C 306147755 351899680 /nfs/dbraw/zinc/89/96/80/351899680.db2.gz AYUDPAKWIBSQOW-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCN1C[C@@]1(C)C[NH2+]C[C@@H]1C 306147757 351899922 /nfs/dbraw/zinc/89/99/22/351899922.db2.gz AYUDPAKWIBSQOW-HBNTYKKESA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@]1(C)CN1CC[C@H]1C 306147758 351899995 /nfs/dbraw/zinc/89/99/95/351899995.db2.gz AYUDPAKWIBSQOW-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@]1(C)CN1CC[C@H]1C 306147756 351900011 /nfs/dbraw/zinc/90/00/11/351900011.db2.gz AYUDPAKWIBSQOW-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN([C@@H]2CC[NH2+]CC2(C)C)C1 306152974 351900727 /nfs/dbraw/zinc/90/07/27/351900727.db2.gz HAAGFTOTHUSWFE-SNVBAGLBSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1C[NH+]([C@@H]2CCNCC2(C)C)C1 306152974 351900730 /nfs/dbraw/zinc/90/07/30/351900730.db2.gz HAAGFTOTHUSWFE-SNVBAGLBSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN([C@H]2CC[NH2+]CC2(C)C)C1 306152973 351900770 /nfs/dbraw/zinc/90/07/70/351900770.db2.gz HAAGFTOTHUSWFE-JTQLQIEISA-N 1 3 182.311 1.326 10 0 ADAEHO CC1C[NH+]([C@H]2CCNCC2(C)C)C1 306152973 351900772 /nfs/dbraw/zinc/90/07/72/351900772.db2.gz HAAGFTOTHUSWFE-JTQLQIEISA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCCC1 306212100 351907872 /nfs/dbraw/zinc/90/78/72/351907872.db2.gz KDRHFIUJTRITED-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCCC1 306212099 351907963 /nfs/dbraw/zinc/90/79/63/351907963.db2.gz KDRHFIUJTRITED-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]CC1(C)CCC1 306229689 351910584 /nfs/dbraw/zinc/91/05/84/351910584.db2.gz IMYRSMGWZMMQPG-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1(C)CCC1 306229690 351910680 /nfs/dbraw/zinc/91/06/80/351910680.db2.gz IMYRSMGWZMMQPG-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCCCC1 306272622 351913761 /nfs/dbraw/zinc/91/37/61/351913761.db2.gz XUZMHURAEQKSCV-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCCCC1 306272623 351913801 /nfs/dbraw/zinc/91/38/01/351913801.db2.gz XUZMHURAEQKSCV-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 306267269 351913838 /nfs/dbraw/zinc/91/38/38/351913838.db2.gz HZKKOPYCGQHKSU-LPEHRKFASA-N 1 3 170.300 1.371 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1(C)CCC1 306467251 351934043 /nfs/dbraw/zinc/93/40/43/351934043.db2.gz LZICQSSKCJARLD-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1(C)CCC1 306467251 351934045 /nfs/dbraw/zinc/93/40/45/351934045.db2.gz LZICQSSKCJARLD-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1(C)CCC1 306467250 351934059 /nfs/dbraw/zinc/93/40/59/351934059.db2.gz LZICQSSKCJARLD-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1(C)CCC1 306467250 351934062 /nfs/dbraw/zinc/93/40/62/351934062.db2.gz LZICQSSKCJARLD-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N1CC(C)(C)C1 306541153 351943434 /nfs/dbraw/zinc/94/34/34/351943434.db2.gz PPPQPHQHNCSULE-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N1CC(C)(C)C1 306541152 351943464 /nfs/dbraw/zinc/94/34/64/351943464.db2.gz PPPQPHQHNCSULE-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N1CC(C)(C)C1 306541151 351943646 /nfs/dbraw/zinc/94/36/46/351943646.db2.gz PPPQPHQHNCSULE-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N1CC(C)(C)C1 306541154 351943660 /nfs/dbraw/zinc/94/36/60/351943660.db2.gz PPPQPHQHNCSULE-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 306686001 351955131 /nfs/dbraw/zinc/95/51/31/351955131.db2.gz JRUJKWNTHKPYDH-AEJSXWLSSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 306686002 351955184 /nfs/dbraw/zinc/95/51/84/351955184.db2.gz JRUJKWNTHKPYDH-GUBZILKMSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 306686004 351955694 /nfs/dbraw/zinc/95/56/94/351955694.db2.gz JRUJKWNTHKPYDH-IVZWLZJFSA-N 1 3 170.300 1.515 10 0 ADAEHO CC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 306686006 351955820 /nfs/dbraw/zinc/95/58/20/351955820.db2.gz JRUJKWNTHKPYDH-LPEHRKFASA-N 1 3 170.300 1.515 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC1(C)C 306720631 351959379 /nfs/dbraw/zinc/95/93/79/351959379.db2.gz HIEVNEUSLNGMHW-KXUCPTDWSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC1(C)C 306720631 351959380 /nfs/dbraw/zinc/95/93/80/351959380.db2.gz HIEVNEUSLNGMHW-KXUCPTDWSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[N@@H+]1CCC[C@H]2CNCC[C@H]21 306728189 351959410 /nfs/dbraw/zinc/95/94/10/351959410.db2.gz BNHRPTVTSKOSSJ-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@H+]1CCC[C@H]2CNCC[C@H]21 306728189 351959411 /nfs/dbraw/zinc/95/94/11/351959411.db2.gz BNHRPTVTSKOSSJ-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CC1(C)C 306720629 351959457 /nfs/dbraw/zinc/95/94/57/351959457.db2.gz HIEVNEUSLNGMHW-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CC1(C)C 306720629 351959459 /nfs/dbraw/zinc/95/94/59/351959459.db2.gz HIEVNEUSLNGMHW-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]2CNCC[C@H]21 306728188 351959495 /nfs/dbraw/zinc/95/94/95/351959495.db2.gz BNHRPTVTSKOSSJ-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@H+]1CCC[C@@H]2CNCC[C@H]21 306728188 351959497 /nfs/dbraw/zinc/95/94/97/351959497.db2.gz BNHRPTVTSKOSSJ-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1CC[C@@H](N[C@H](C)C2CCC2)C[NH2+]1 306791068 351965523 /nfs/dbraw/zinc/96/55/23/351965523.db2.gz ZSPXXPNOKPERPD-CKYFFXLPSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CCC1 306791070 351965596 /nfs/dbraw/zinc/96/55/96/351965596.db2.gz ZSPXXPNOKPERPD-JFGNBEQYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H](C)C2CCC2)C[NH2+]1 306791069 351965695 /nfs/dbraw/zinc/96/56/95/351965695.db2.gz ZSPXXPNOKPERPD-FOGDFJRCSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C1CCC1 306791071 351965837 /nfs/dbraw/zinc/96/58/37/351965837.db2.gz ZSPXXPNOKPERPD-SCVCMEIPSA-N 1 3 196.338 1.905 10 0 ADAEHO C/C=C/CN[C@@H]1CCC[NH2+]CC1 306802609 351966379 /nfs/dbraw/zinc/96/63/79/351966379.db2.gz UCFDKXNSYDINTR-VMZHVLLKSA-N 1 3 168.284 1.294 10 0 ADAEHO C/C=C/CN[C@H]1CCC[NH2+]CC1 306802608 351966478 /nfs/dbraw/zinc/96/64/78/351966478.db2.gz UCFDKXNSYDINTR-PBKGFPTLSA-N 1 3 168.284 1.294 10 0 ADAEHO C[C@H]1CC[C@H](NCC(C)(C)C)C[NH2+]1 306854441 351969237 /nfs/dbraw/zinc/96/92/37/351969237.db2.gz VHYPTCPDZDXAEK-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1CC[C@@H](NCC(C)(C)C)C[NH2+]1 306854442 351969369 /nfs/dbraw/zinc/96/93/69/351969369.db2.gz VHYPTCPDZDXAEK-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1CC[C@@H](NCC(C)(C)C)C[NH2+]1 306854440 351969390 /nfs/dbraw/zinc/96/93/90/351969390.db2.gz VHYPTCPDZDXAEK-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1CC[C@H](NCC(C)(C)C)C[NH2+]1 306854443 351969457 /nfs/dbraw/zinc/96/94/57/351969457.db2.gz VHYPTCPDZDXAEK-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@H]1C[C@H]1CN[C@H]1CC[C@@H](C)[NH2+]C1 306901467 351972738 /nfs/dbraw/zinc/97/27/38/351972738.db2.gz GPFZLBZZNHTTSE-VLEAKVRGSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CC[C@H](NC[C@H]2C[C@H]2C)C[NH2+]1 306901466 351972839 /nfs/dbraw/zinc/97/28/39/351972839.db2.gz GPFZLBZZNHTTSE-DBIOUOCHSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[C@@H]1CN[C@H]1CC[C@@H](C)[NH2+]C1 306901468 351972890 /nfs/dbraw/zinc/97/28/90/351972890.db2.gz GPFZLBZZNHTTSE-ZDCRXTMVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[C@H]2C)C[NH2+]1 306901469 351972930 /nfs/dbraw/zinc/97/29/30/351972930.db2.gz GPFZLBZZNHTTSE-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO C/C=C/CN[C@@H]1CCC[C@H]([NH3+])C1 306999627 351980176 /nfs/dbraw/zinc/98/01/76/351980176.db2.gz BGNBJJZLELMSDF-MDCNRGEUSA-N 1 3 168.284 1.422 10 0 ADAEHO C/C=C/CN[C@@H]1CCC[C@@H]([NH3+])C1 306999617 351980301 /nfs/dbraw/zinc/98/03/01/351980301.db2.gz BGNBJJZLELMSDF-HLKOZVMDSA-N 1 3 168.284 1.422 10 0 ADAEHO C[C@H]1CC[C@@H](NCC2(C)CCC2)C[NH2+]1 307069165 351984653 /nfs/dbraw/zinc/98/46/53/351984653.db2.gz ZPSCPBOBQYCRNO-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1CC[C@H](NCC2(C)CCC2)C[NH2+]1 307069164 351984474 /nfs/dbraw/zinc/98/44/74/351984474.db2.gz ZPSCPBOBQYCRNO-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@@H](NCC2(C)CCC2)C[NH2+]1 307069162 351984663 /nfs/dbraw/zinc/98/46/63/351984663.db2.gz ZPSCPBOBQYCRNO-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H](NCC2(C)CCC2)C[NH2+]1 307069163 351984821 /nfs/dbraw/zinc/98/48/21/351984821.db2.gz ZPSCPBOBQYCRNO-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)CN[C@H]1CC[C@H](C)[NH2+]C1 307094532 351986410 /nfs/dbraw/zinc/98/64/10/351986410.db2.gz SWUZBZQIHJZKGU-UWVGGRQHSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)CN[C@@H]1CC[C@H](C)[NH2+]C1 307094534 351986445 /nfs/dbraw/zinc/98/64/45/351986445.db2.gz SWUZBZQIHJZKGU-VHSXEESVSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)CN[C@H]1CC[C@@H](C)[NH2+]C1 307094537 351986500 /nfs/dbraw/zinc/98/65/00/351986500.db2.gz SWUZBZQIHJZKGU-ZJUUUORDSA-N 1 3 170.300 1.373 10 0 ADAEHO CC(C)CN[C@@H]1CC[C@@H](C)[NH2+]C1 307094529 351986586 /nfs/dbraw/zinc/98/65/86/351986586.db2.gz SWUZBZQIHJZKGU-NXEZZACHSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCNC1)[C@H]1CC1(C)C 307130292 351988302 /nfs/dbraw/zinc/98/83/02/351988302.db2.gz YTQLEOMKJPEBAU-IVZWLZJFSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCNC1)[C@@H]1CC1(C)C 307130290 351988644 /nfs/dbraw/zinc/98/86/44/351988644.db2.gz YTQLEOMKJPEBAU-AEJSXWLSSA-N 1 3 182.311 1.373 10 0 ADAEHO N[C@@H](CC[NH3+])c1ccc2[nH]ccc2c1 307213395 351996016 /nfs/dbraw/zinc/99/60/16/351996016.db2.gz QGALFAPGHGZVQC-JTQLQIEISA-N 1 3 189.262 1.517 10 0 ADAEHO CC(C)CCN1CC[C@H]([NH3+])[C@@H]1C 307256490 351998770 /nfs/dbraw/zinc/99/87/70/351998770.db2.gz BKQPJPPJTAGKTG-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)CCN1CC[C@@H]([NH3+])[C@@H]1C 307256497 351998871 /nfs/dbraw/zinc/99/88/71/351998871.db2.gz BKQPJPPJTAGKTG-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)CCN1CC[C@H]([NH3+])[C@H]1C 307256502 351999047 /nfs/dbraw/zinc/99/90/47/351999047.db2.gz BKQPJPPJTAGKTG-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)CCN1CC[C@@H]([NH3+])[C@H]1C 307256486 351999083 /nfs/dbraw/zinc/99/90/83/351999083.db2.gz BKQPJPPJTAGKTG-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+]C1CCNCC1 307276954 352000354 /nfs/dbraw/zinc/00/03/54/352000354.db2.gz QYIMNVXMFFGOIZ-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+]C1CCNCC1 307276955 352000427 /nfs/dbraw/zinc/00/04/27/352000427.db2.gz QYIMNVXMFFGOIZ-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@]1(CCC[NH3+])NCCCS1 307415019 352011035 /nfs/dbraw/zinc/01/10/35/352011035.db2.gz UMQBZVTYJFDVET-MRVPVSSYSA-N 1 3 174.313 1.168 10 0 ADAEHO C[C@]1(CCC[NH3+])NCCCS1 307415021 352011159 /nfs/dbraw/zinc/01/11/59/352011159.db2.gz UMQBZVTYJFDVET-QMMMGPOBSA-N 1 3 174.313 1.168 10 0 ADAEHO C[C@@H]1CC[C@H](NCC2(C)CC2)C[NH2+]1 307458916 352014599 /nfs/dbraw/zinc/01/45/99/352014599.db2.gz GYVQWDYJIBQUAQ-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@@H](NCC2(C)CC2)C[NH2+]1 307458904 352014813 /nfs/dbraw/zinc/01/48/13/352014813.db2.gz GYVQWDYJIBQUAQ-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@H](NCC2(C)CC2)C[NH2+]1 307458890 352014893 /nfs/dbraw/zinc/01/48/93/352014893.db2.gz GYVQWDYJIBQUAQ-UWVGGRQHSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H](NCC2(C)CC2)C[NH2+]1 307458877 352014933 /nfs/dbraw/zinc/01/49/33/352014933.db2.gz GYVQWDYJIBQUAQ-NXEZZACHSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)[C@H]1C 307464536 352015302 /nfs/dbraw/zinc/01/53/02/352015302.db2.gz IUOYVFZATVXMMP-KZZRWZIVSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C)[C@H]2C)C[NH2+]1 307464565 352015433 /nfs/dbraw/zinc/01/54/33/352015433.db2.gz IUOYVFZATVXMMP-PZWNZHSQSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 307464544 352015454 /nfs/dbraw/zinc/01/54/54/352015454.db2.gz IUOYVFZATVXMMP-LDMBFOFVSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)[C@@H]1C 307464551 352015461 /nfs/dbraw/zinc/01/54/61/352015461.db2.gz IUOYVFZATVXMMP-MTVMDMGHSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1C[N@H+](CCCN)C(C)(C)C1 307498325 352017285 /nfs/dbraw/zinc/01/72/85/352017285.db2.gz KEMJTCNAHBQMCM-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1C[N@@H+](CCCN)C(C)(C)C1 307498325 352017289 /nfs/dbraw/zinc/01/72/89/352017289.db2.gz KEMJTCNAHBQMCM-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]1CC[C@@H](NCC2CC2)C[NH2+]1 307612540 352025912 /nfs/dbraw/zinc/02/59/12/352025912.db2.gz KXWGGZXKNDKYGM-PSASIEDQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CC[C@@H](NCC2CC2)C[NH2+]1 307612546 352025951 /nfs/dbraw/zinc/02/59/51/352025951.db2.gz KXWGGZXKNDKYGM-WCBMZHEXSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]1CC[C@H](NCC2CC2)C[NH2+]1 307612548 352026074 /nfs/dbraw/zinc/02/60/74/352026074.db2.gz KXWGGZXKNDKYGM-WPRPVWTQSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1CC[C@H](NCC2CC2)C[NH2+]1 307612543 352026185 /nfs/dbraw/zinc/02/61/85/352026185.db2.gz KXWGGZXKNDKYGM-SCZZXKLOSA-N 1 3 168.284 1.127 10 0 ADAEHO CCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 307937081 352040715 /nfs/dbraw/zinc/04/07/15/352040715.db2.gz ABQCFWUOCZPJRS-LPEHRKFASA-N 1 3 170.300 1.515 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 308119408 352042882 /nfs/dbraw/zinc/04/28/82/352042882.db2.gz CLHRCQYSLYSRBT-GARJFASQSA-N 1 3 184.327 1.761 10 0 ADAEHO C[C@@H]1C[C@H]1CN1CCC2(CC[NH2+]2)CC1 334585458 352075483 /nfs/dbraw/zinc/07/54/83/352075483.db2.gz GPGRDKPPQMRNSA-MNOVXSKESA-N 1 3 194.322 1.470 10 0 ADAEHO CC(C)CCN1CCC2(CC[NH2+]2)CC1 334587513 352075568 /nfs/dbraw/zinc/07/55/68/352075568.db2.gz OJUVXNCHJLNOBT-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1CCC2(CC[NH2+]2)CC1 334585452 352075633 /nfs/dbraw/zinc/07/56/33/352075633.db2.gz GPGRDKPPQMRNSA-GHMZBOCLSA-N 1 3 194.322 1.470 10 0 ADAEHO CC[C@@H](C)CN1CCC2(CC[NH2+]2)CC1 334588071 352075867 /nfs/dbraw/zinc/07/58/67/352075867.db2.gz RBOMFNCXKSTMGQ-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CCN1 334869617 352084583 /nfs/dbraw/zinc/08/45/83/352084583.db2.gz QFODOCCTCBCLEK-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)CCN1 334869616 352084638 /nfs/dbraw/zinc/08/46/38/352084638.db2.gz QFODOCCTCBCLEK-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 334993367 352086788 /nfs/dbraw/zinc/08/67/88/352086788.db2.gz PIJDBTJZAVEMJM-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 334993370 352087178 /nfs/dbraw/zinc/08/71/78/352087178.db2.gz PIJDBTJZAVEMJM-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)N1CCC2(CC[NH2+]2)CC1 335017664 352087876 /nfs/dbraw/zinc/08/78/76/352087876.db2.gz MECVJMQUZPIGOH-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)C1CC([NH2+]C2CCNCC2)C1 335177071 352089869 /nfs/dbraw/zinc/08/98/69/352089869.db2.gz UBAJKDAVXLZFNG-UHFFFAOYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1CCC([NH+](C)C)CC1 335283810 352093448 /nfs/dbraw/zinc/09/34/48/352093448.db2.gz JRNRZQLUFAUNFY-GHMZBOCLSA-N 1 3 196.338 1.668 10 0 ADAEHO C[C@@H]1C[C@H]1CN1CCC([NH+](C)C)CC1 335283811 352093734 /nfs/dbraw/zinc/09/37/34/352093734.db2.gz JRNRZQLUFAUNFY-MNOVXSKESA-N 1 3 196.338 1.668 10 0 ADAEHO CC(C)CN1CCC2(CC[NH2+]2)CC1 335415797 352097489 /nfs/dbraw/zinc/09/74/89/352097489.db2.gz WHGJQUDEJRQFIQ-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 335551285 352102826 /nfs/dbraw/zinc/10/28/26/352102826.db2.gz DRNPXWKOQCDOET-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]CC2CNC2)C1 335551284 352102755 /nfs/dbraw/zinc/10/27/55/352102755.db2.gz DRNPXWKOQCDOET-KOLCDFICSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)CN[C@@H]1CCCC[NH2+]C1 335642427 352107329 /nfs/dbraw/zinc/10/73/29/352107329.db2.gz KPDUFWDJJNAWQH-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)CN[C@H]1CCCC[NH2+]C1 335642425 352107570 /nfs/dbraw/zinc/10/75/70/352107570.db2.gz KPDUFWDJJNAWQH-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO C1=CCC(C[NH2+][C@@H]2CCCNCC2)C1 527531670 352165564 /nfs/dbraw/zinc/16/55/64/352165564.db2.gz IRAYACMCOQKQNY-GFCCVEGCSA-N 1 3 194.322 1.684 10 0 ADAEHO CC1CC([NH2+][C@@H]2CCNC23CCC3)C1 527532305 352165669 /nfs/dbraw/zinc/16/56/69/352165669.db2.gz LQHZUIVARXEVCP-VQXHTEKXSA-N 1 3 194.322 1.659 10 0 ADAEHO C1=CCC(C[NH2+][C@H]2CCCNCC2)C1 527531672 352165777 /nfs/dbraw/zinc/16/57/77/352165777.db2.gz IRAYACMCOQKQNY-LBPRGKRZSA-N 1 3 194.322 1.684 10 0 ADAEHO CC1CC([NH2+][C@H]2CCNC23CCC3)C1 527532304 352165834 /nfs/dbraw/zinc/16/58/34/352165834.db2.gz LQHZUIVARXEVCP-ILDUYXDCSA-N 1 3 194.322 1.659 10 0 ADAEHO C1=CCC(C[NH2+]C2CCNCC2)C1 527533884 352166210 /nfs/dbraw/zinc/16/62/10/352166210.db2.gz WXPJNSFECRIHIP-UHFFFAOYSA-N 1 3 180.295 1.294 10 0 ADAEHO CC1(C)CC(CN2CCC([NH3+])CC2)C1 530209166 352186785 /nfs/dbraw/zinc/18/67/85/352186785.db2.gz ULXAAYPHRMQBCY-UHFFFAOYSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC(C[NH+]2CCC(N)CC2)C1 530209166 352186787 /nfs/dbraw/zinc/18/67/87/352186787.db2.gz ULXAAYPHRMQBCY-UHFFFAOYSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)C[NH2+][C@H]1CCNC12CCC2 530178873 352187071 /nfs/dbraw/zinc/18/70/71/352187071.db2.gz SHRULLAFAJSNGV-JTQLQIEISA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CCNC12CCC2 530178874 352187231 /nfs/dbraw/zinc/18/72/31/352187231.db2.gz SHRULLAFAJSNGV-SNVBAGLBSA-N 1 3 182.311 1.517 10 0 ADAEHO C[N@H+](CCCN)CC1CC(C)(C)C1 530208617 352187245 /nfs/dbraw/zinc/18/72/45/352187245.db2.gz GASDUELNODYUJW-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO C[N@@H+](CCCN)CC1CC(C)(C)C1 530208617 352187246 /nfs/dbraw/zinc/18/72/46/352187246.db2.gz GASDUELNODYUJW-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO CN(CCC[NH3+])CC1CC(C)(C)C1 530208617 352187248 /nfs/dbraw/zinc/18/72/48/352187248.db2.gz GASDUELNODYUJW-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO CN(CC1CC(C)(C)C1)C1CC([NH3+])C1 530224734 352187698 /nfs/dbraw/zinc/18/76/98/352187698.db2.gz XPHBTMXPCKSFGY-UHFFFAOYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1CN(CC2CC(C)(C)C2)C[C@@H]1[NH3+] 530227301 352187768 /nfs/dbraw/zinc/18/77/68/352187768.db2.gz RQOXXTGGAZVOLX-ONGXEEELSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 530216927 352187782 /nfs/dbraw/zinc/18/77/82/352187782.db2.gz DLNDUKNKKPVWTG-NXEZZACHSA-N 1 3 182.311 1.659 10 0 ADAEHO CC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 530216930 352187795 /nfs/dbraw/zinc/18/77/95/352187795.db2.gz DLNDUKNKKPVWTG-ZJUUUORDSA-N 1 3 182.311 1.659 10 0 ADAEHO CC(C)[NH2+][C@@H]1CCNC12CCC2 530218244 352187815 /nfs/dbraw/zinc/18/78/15/352187815.db2.gz IJXDTWCYWSVPQT-SECBINFHSA-N 1 3 168.284 1.269 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H]1CCNC12CCC2 530222923 352187946 /nfs/dbraw/zinc/18/79/46/352187946.db2.gz SAXJHKYBGFAIET-QWRGUYRKSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1CC1CC(C)(C)C1 530221824 352188206 /nfs/dbraw/zinc/18/82/06/352188206.db2.gz DTFKRJBXCFQCDQ-ONGXEEELSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 530218915 352188005 /nfs/dbraw/zinc/18/80/05/352188005.db2.gz JYOCWXAUQZKLHN-MWLCHTKSSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1CN(CC2CC(C)(C)C2)C[C@H]1[NH3+] 530227300 352188050 /nfs/dbraw/zinc/18/80/50/352188050.db2.gz RQOXXTGGAZVOLX-MWLCHTKSSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 530218912 352188060 /nfs/dbraw/zinc/18/80/60/352188060.db2.gz JYOCWXAUQZKLHN-KOLCDFICSA-N 1 3 194.322 1.659 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 530222918 352188097 /nfs/dbraw/zinc/18/80/97/352188097.db2.gz SAXJHKYBGFAIET-GHMZBOCLSA-N 1 3 196.338 1.905 10 0 ADAEHO CC(C)[NH2+][C@H]1CCNC12CCC2 530218247 352188134 /nfs/dbraw/zinc/18/81/34/352188134.db2.gz IJXDTWCYWSVPQT-VIFPVBQESA-N 1 3 168.284 1.269 10 0 ADAEHO C1=CC[C@H](CC[NH2+][C@H]2CCNC2)CC1 530219919 352188140 /nfs/dbraw/zinc/18/81/40/352188140.db2.gz KZBMDZDOLAAALE-RYUDHWBXSA-N 1 3 194.322 1.684 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 530216929 352188146 /nfs/dbraw/zinc/18/81/46/352188146.db2.gz DLNDUKNKKPVWTG-VHSXEESVSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@H]1CN(CC2CC(C)(C)C2)C[C@H]1[NH3+] 530227298 352188153 /nfs/dbraw/zinc/18/81/53/352188153.db2.gz RQOXXTGGAZVOLX-GXSJLCMTSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@H]1CCNC12CCC2 530222920 352188158 /nfs/dbraw/zinc/18/81/58/352188158.db2.gz SAXJHKYBGFAIET-MNOVXSKESA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 530218909 352188166 /nfs/dbraw/zinc/18/81/66/352188166.db2.gz JYOCWXAUQZKLHN-GXSJLCMTSA-N 1 3 194.322 1.659 10 0 ADAEHO C[C@@H]1CN(CC2CC(C)(C)C2)C[C@@H]1[NH3+] 530227299 352188326 /nfs/dbraw/zinc/18/83/26/352188326.db2.gz RQOXXTGGAZVOLX-KOLCDFICSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H]1CCNC12CCC2 530222927 352188262 /nfs/dbraw/zinc/18/82/62/352188262.db2.gz SAXJHKYBGFAIET-WDEREUQCSA-N 1 3 196.338 1.905 10 0 ADAEHO C1=CC[C@H](CC[NH2+][C@@H]2CCNC2)CC1 530219918 352188307 /nfs/dbraw/zinc/18/83/07/352188307.db2.gz KZBMDZDOLAAALE-NWDGAFQWSA-N 1 3 194.322 1.684 10 0 ADAEHO C1=CC[C@@H](CC[NH2+][C@@H]2CCNC2)CC1 530219920 352188314 /nfs/dbraw/zinc/18/83/14/352188314.db2.gz KZBMDZDOLAAALE-VXGBXAGGSA-N 1 3 194.322 1.684 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CCNC12CCC2 530216928 352188345 /nfs/dbraw/zinc/18/83/45/352188345.db2.gz DLNDUKNKKPVWTG-UWVGGRQHSA-N 1 3 182.311 1.659 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 530218918 352188355 /nfs/dbraw/zinc/18/83/55/352188355.db2.gz JYOCWXAUQZKLHN-ONGXEEELSA-N 1 3 194.322 1.659 10 0 ADAEHO C1=CC[C@@H](CC[NH2+][C@H]2CCNC2)CC1 530219917 352188387 /nfs/dbraw/zinc/18/83/87/352188387.db2.gz KZBMDZDOLAAALE-NEPJUHHUSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC12CCC2 530244737 352188880 /nfs/dbraw/zinc/18/88/80/352188880.db2.gz NCJGWQLXTPCBSS-OUAUKWLOSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H](C)C[NH2+][C@H]1CCNC12CCC2 530243950 352188914 /nfs/dbraw/zinc/18/89/14/352188914.db2.gz JAHFYJWQTDRSFM-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC12CCC2 530244739 352188936 /nfs/dbraw/zinc/18/89/36/352188936.db2.gz NCJGWQLXTPCBSS-VWYCJHECSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H](C)C[NH2+][C@@H]1CCNC12CCC2 530243951 352188950 /nfs/dbraw/zinc/18/89/50/352188950.db2.gz JAHFYJWQTDRSFM-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1(C[NH2+][C@H]2CCNC23CCC3)CC1 530245568 352189018 /nfs/dbraw/zinc/18/90/18/352189018.db2.gz ZFJMYWKDAFUZLB-JTQLQIEISA-N 1 3 194.322 1.661 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC12CCC2 530244736 352189039 /nfs/dbraw/zinc/18/90/39/352189039.db2.gz NCJGWQLXTPCBSS-MXWKQRLJSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H](C)C[NH2+][C@@H]1CCNC12CCC2 530243948 352189060 /nfs/dbraw/zinc/18/90/60/352189060.db2.gz JAHFYJWQTDRSFM-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H](C)C[NH2+][C@H]1CCNC12CCC2 530243949 352189075 /nfs/dbraw/zinc/18/90/75/352189075.db2.gz JAHFYJWQTDRSFM-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 530244734 352189086 /nfs/dbraw/zinc/18/90/86/352189086.db2.gz NCJGWQLXTPCBSS-GMTAPVOTSA-N 1 3 194.322 1.517 10 0 ADAEHO CC1(C[NH2+][C@@H]2CCNC23CCC3)CC1 530245571 352189094 /nfs/dbraw/zinc/18/90/94/352189094.db2.gz ZFJMYWKDAFUZLB-SNVBAGLBSA-N 1 3 194.322 1.661 10 0 ADAEHO Cc1cc([C@@H](N)CC[NH3+])ccc1O 575439039 352204040 /nfs/dbraw/zinc/20/40/40/352204040.db2.gz OVHGEXSQIDFVLO-VIFPVBQESA-N 1 3 180.251 1.049 10 0 ADAEHO [NH3+]CCC[C@H]([NH3+])c1ccc([O-])c(F)c1 575438982 352203164 /nfs/dbraw/zinc/20/31/64/352203164.db2.gz NRXGJZOVGCBEPR-VIFPVBQESA-N 1 3 198.241 1.270 10 0 ADAEHO Cc1cc([C@@H](N)CC[NH3+])ccc1Cl 575438125 352203235 /nfs/dbraw/zinc/20/32/35/352203235.db2.gz GHVVROOXZSDGSK-JTQLQIEISA-N 1 3 198.697 1.997 10 0 ADAEHO [NH3+]CCC[C@@H]([NH3+])c1ccc([O-])c(F)c1 575438923 352203274 /nfs/dbraw/zinc/20/32/74/352203274.db2.gz NRXGJZOVGCBEPR-SECBINFHSA-N 1 3 198.241 1.270 10 0 ADAEHO Cc1cc([C@H](N)CC[NH3+])ccc1Cl 575438259 352203319 /nfs/dbraw/zinc/20/33/19/352203319.db2.gz GHVVROOXZSDGSK-SNVBAGLBSA-N 1 3 198.697 1.997 10 0 ADAEHO COc1cc([C@@H](N)CC[NH3+])ccc1C 575438603 352203328 /nfs/dbraw/zinc/20/33/28/352203328.db2.gz LPUILCFEBPSTRV-JTQLQIEISA-N 1 3 194.278 1.352 10 0 ADAEHO Cc1cc([C@H](N)CC[NH3+])ccc1O 575439037 352203875 /nfs/dbraw/zinc/20/38/75/352203875.db2.gz OVHGEXSQIDFVLO-SECBINFHSA-N 1 3 180.251 1.049 10 0 ADAEHO [NH3+]CCC[C@H]([NH3+])c1ccc([O-])cc1F 575439858 352203971 /nfs/dbraw/zinc/20/39/71/352203971.db2.gz WISPIDCFKOMKNT-JTQLQIEISA-N 1 3 198.241 1.270 10 0 ADAEHO COc1cc([C@H](N)CC[NH3+])ccc1C 575439442 352204104 /nfs/dbraw/zinc/20/41/04/352204104.db2.gz LPUILCFEBPSTRV-SNVBAGLBSA-N 1 3 194.278 1.352 10 0 ADAEHO [NH3+]CCC[C@@H]([NH3+])c1ccc([O-])cc1F 575439167 352204174 /nfs/dbraw/zinc/20/41/74/352204174.db2.gz WISPIDCFKOMKNT-SNVBAGLBSA-N 1 3 198.241 1.270 10 0 ADAEHO [NH3+][C@H]1C[C@@H](CN2CCC[C@H](F)C2)C1 575450431 352209519 /nfs/dbraw/zinc/20/95/19/352209519.db2.gz AVBWJXJDNSPYGM-LPEHRKFASA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+][C@H]1C[C@@H](CN2CCC[C@@H](F)C2)C1 575450430 352209529 /nfs/dbraw/zinc/20/95/29/352209529.db2.gz AVBWJXJDNSPYGM-BBBLOLIVSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+][C@@H]1CC=C(CN2CCSCC2)C1 575453031 352218150 /nfs/dbraw/zinc/21/81/50/352218150.db2.gz DGFRXFSXFAQYBB-SNVBAGLBSA-N 1 3 198.335 1.083 10 0 ADAEHO [NH3+][C@H]1CC=C(CN2CCSCC2)C1 575453030 352218181 /nfs/dbraw/zinc/21/81/81/352218181.db2.gz DGFRXFSXFAQYBB-JTQLQIEISA-N 1 3 198.335 1.083 10 0 ADAEHO C/C=C/C[N@@H+]1CCCCC[C@@H](N)C1 575465115 352261473 /nfs/dbraw/zinc/26/14/73/352261473.db2.gz UJFNVPYOTWKNNA-KXMPLOMGSA-N 1 3 182.311 1.766 10 0 ADAEHO C/C=C/C[N@H+]1CCCCC[C@@H](N)C1 575465115 352261476 /nfs/dbraw/zinc/26/14/76/352261476.db2.gz UJFNVPYOTWKNNA-KXMPLOMGSA-N 1 3 182.311 1.766 10 0 ADAEHO C/C=C/C[N@@H+]1CCCCC[C@H](N)C1 575465116 352261704 /nfs/dbraw/zinc/26/17/04/352261704.db2.gz UJFNVPYOTWKNNA-VUDBWIFFSA-N 1 3 182.311 1.766 10 0 ADAEHO C/C=C/C[N@H+]1CCCCC[C@H](N)C1 575465116 352261705 /nfs/dbraw/zinc/26/17/05/352261705.db2.gz UJFNVPYOTWKNNA-VUDBWIFFSA-N 1 3 182.311 1.766 10 0 ADAEHO [NH3+][C@H]1CC[C@H](N2CCC(F)CC2)C1 575468022 352272499 /nfs/dbraw/zinc/27/24/99/352272499.db2.gz QJXKNYYBLDSOBX-UWVGGRQHSA-N 1 3 186.274 1.300 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](N2CCC(F)CC2)C1 575468023 352272571 /nfs/dbraw/zinc/27/25/71/352272571.db2.gz QJXKNYYBLDSOBX-VHSXEESVSA-N 1 3 186.274 1.300 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N2CCC(F)CC2)C1 575468021 352272694 /nfs/dbraw/zinc/27/26/94/352272694.db2.gz QJXKNYYBLDSOBX-NXEZZACHSA-N 1 3 186.274 1.300 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CCC(F)CC2)C1 575468024 352272811 /nfs/dbraw/zinc/27/28/11/352272811.db2.gz QJXKNYYBLDSOBX-ZJUUUORDSA-N 1 3 186.274 1.300 10 0 ADAEHO CC(=[NH2+])N[C@@H]1CCN(C(C)(C)C)C1 575468971 352277034 /nfs/dbraw/zinc/27/70/34/352277034.db2.gz GJXSOJHFYFDJJG-SECBINFHSA-N 1 3 183.299 1.446 10 0 ADAEHO CC(=[NH2+])N[C@H]1CCN(C(C)(C)C)C1 575468972 352277040 /nfs/dbraw/zinc/27/70/40/352277040.db2.gz GJXSOJHFYFDJJG-VIFPVBQESA-N 1 3 183.299 1.446 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@]23CCC[C@H]2C3)C1 575478520 352296062 /nfs/dbraw/zinc/29/60/62/352296062.db2.gz AVPBOTPHGHALNB-DCAQKATOSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@]23CCC[C@H]2C3)C1 575478520 352296065 /nfs/dbraw/zinc/29/60/65/352296065.db2.gz AVPBOTPHGHALNB-DCAQKATOSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1CC[N@@H+]([C@@]23CCC[C@@H]2C3)C1 575478522 352296148 /nfs/dbraw/zinc/29/61/48/352296148.db2.gz AVPBOTPHGHALNB-HBNTYKKESA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1CC[N@H+]([C@@]23CCC[C@@H]2C3)C1 575478522 352296151 /nfs/dbraw/zinc/29/61/51/352296151.db2.gz AVPBOTPHGHALNB-HBNTYKKESA-N 1 3 180.295 1.210 10 0 ADAEHO CC1CN([C@@H]2CC[NH2+]C(C)(C)C2)C1 575478721 352296501 /nfs/dbraw/zinc/29/65/01/352296501.db2.gz KKMMSSYRGNQYEP-SNVBAGLBSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1C[NH+]([C@@H]2CCNC(C)(C)C2)C1 575478721 352296504 /nfs/dbraw/zinc/29/65/04/352296504.db2.gz KKMMSSYRGNQYEP-SNVBAGLBSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1CN([C@H]2CC[NH2+]C(C)(C)C2)C1 575478720 352296640 /nfs/dbraw/zinc/29/66/40/352296640.db2.gz KKMMSSYRGNQYEP-JTQLQIEISA-N 1 3 182.311 1.469 10 0 ADAEHO NC1CC[NH+]([C@@]23CCC[C@@H]2C3)CC1 575480005 352302872 /nfs/dbraw/zinc/30/28/72/352302872.db2.gz JUSRCVCXBBDPTN-MWLCHTKSSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+]C1CCN([C@@]23CCC[C@@H]2C3)CC1 575480005 352302871 /nfs/dbraw/zinc/30/28/71/352302871.db2.gz JUSRCVCXBBDPTN-MWLCHTKSSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+]C1CCN([C@]23CCC[C@H]2C3)CC1 575480006 352303010 /nfs/dbraw/zinc/30/30/10/352303010.db2.gz JUSRCVCXBBDPTN-ONGXEEELSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1CC[NH+]([C@]23CCC[C@H]2C3)CC1 575480006 352303012 /nfs/dbraw/zinc/30/30/12/352303012.db2.gz JUSRCVCXBBDPTN-ONGXEEELSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CCN([C@@]23CCCC[C@@H]2C3)C1 575480872 352307621 /nfs/dbraw/zinc/30/76/21/352307621.db2.gz OLKKJNJNTOCWIA-GMTAPVOTSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CCN([C@]23CCCC[C@H]2C3)C1 575480871 352307831 /nfs/dbraw/zinc/30/78/31/352307831.db2.gz OLKKJNJNTOCWIA-AXFHLTTASA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](NC2CC(F)(F)C2)C1 575481061 352308947 /nfs/dbraw/zinc/30/89/47/352308947.db2.gz CMECJTQNZIYFDV-NKWVEPMBSA-N 1 3 190.237 1.254 10 0 ADAEHO [NH3+][C@H]1CC[C@H](NC2CC(F)(F)C2)C1 575481059 352309185 /nfs/dbraw/zinc/30/91/85/352309185.db2.gz CMECJTQNZIYFDV-BQBZGAKWSA-N 1 3 190.237 1.254 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](NC2CC(F)(F)C2)C1 575481138 352309454 /nfs/dbraw/zinc/30/94/54/352309454.db2.gz CMECJTQNZIYFDV-RNFRBKRXSA-N 1 3 190.237 1.254 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](NC2CC(F)(F)C2)C1 575481144 352309732 /nfs/dbraw/zinc/30/97/32/352309732.db2.gz CMECJTQNZIYFDV-RQJHMYQMSA-N 1 3 190.237 1.254 10 0 ADAEHO [NH3+][C@H]1C[C@H](CN2CCC[C@H](F)C2)C1 575481590 352311509 /nfs/dbraw/zinc/31/15/09/352311509.db2.gz AVBWJXJDNSPYGM-GUBZILKMSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+][C@H]1C[C@H](CN2CCC[C@@H](F)C2)C1 575481591 352311771 /nfs/dbraw/zinc/31/17/71/352311771.db2.gz AVBWJXJDNSPYGM-OPRDCNLKSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+]C1CCN(C[C@H]2CC23CC3)CC1 575483068 352319420 /nfs/dbraw/zinc/31/94/20/352319420.db2.gz NTFHEJWHLYFBOA-SECBINFHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC1CC[NH+](C[C@H]2CC23CC3)CC1 575483068 352319423 /nfs/dbraw/zinc/31/94/23/352319423.db2.gz NTFHEJWHLYFBOA-SECBINFHSA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+]C1CCN(C[C@@H]2CC23CC3)CC1 575483072 352319488 /nfs/dbraw/zinc/31/94/88/352319488.db2.gz NTFHEJWHLYFBOA-VIFPVBQESA-N 1 3 180.295 1.210 10 0 ADAEHO NC1CC[NH+](C[C@@H]2CC23CC3)CC1 575483072 352319493 /nfs/dbraw/zinc/31/94/93/352319493.db2.gz NTFHEJWHLYFBOA-VIFPVBQESA-N 1 3 180.295 1.210 10 0 ADAEHO N[C@@H](C[NH3+])[C@@H]1CC2CCC1CC2 575484931 352328980 /nfs/dbraw/zinc/32/89/80/352328980.db2.gz KDPZCEOSAAJDGJ-BMNUFHGDSA-N 1 3 168.284 1.099 10 0 ADAEHO N[C@H](C[NH3+])[C@@H]1CC2CCC1CC2 575484934 352329081 /nfs/dbraw/zinc/32/90/81/352329081.db2.gz KDPZCEOSAAJDGJ-YDYPAMBWSA-N 1 3 168.284 1.099 10 0 ADAEHO N[C@H](C[NH3+])[C@H]1CC2CCC1CC2 575484932 352329195 /nfs/dbraw/zinc/32/91/95/352329195.db2.gz KDPZCEOSAAJDGJ-HORUIINNSA-N 1 3 168.284 1.099 10 0 ADAEHO N[C@@H](C[NH3+])[C@H]1CC2CCC1CC2 575484933 352329223 /nfs/dbraw/zinc/32/92/23/352329223.db2.gz KDPZCEOSAAJDGJ-QLEHZGMVSA-N 1 3 168.284 1.099 10 0 ADAEHO C[C@H]1CCNC[C@H]1C[NH+]1CCCC1 575487424 352342432 /nfs/dbraw/zinc/34/24/32/352342432.db2.gz CMSCRSMUFVVXDW-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCNC[C@@H]1C[NH+]1CCCC1 575487425 352342533 /nfs/dbraw/zinc/34/25/33/352342533.db2.gz CMSCRSMUFVVXDW-WDEREUQCSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCNC[C@H]1C[NH+]1CCCC1 575487423 352342557 /nfs/dbraw/zinc/34/25/57/352342557.db2.gz CMSCRSMUFVVXDW-MNOVXSKESA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCNC[C@@H]1C[NH+]1CCCC1 575487422 352342865 /nfs/dbraw/zinc/34/28/65/352342865.db2.gz CMSCRSMUFVVXDW-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO CC(C)C(C)(C)[NH+]1CCC(N)CC1 575488682 352350048 /nfs/dbraw/zinc/35/00/48/352350048.db2.gz VTQYGHMXUHWKFU-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CCCCC[C@@]1(N)C[NH3+] 575489177 352351808 /nfs/dbraw/zinc/35/18/08/352351808.db2.gz AXASTOAPUSSBFP-WDEREUQCSA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)[C@H]1CCCCC[C@]1(N)C[NH3+] 575489175 352351861 /nfs/dbraw/zinc/35/18/61/352351861.db2.gz AXASTOAPUSSBFP-MNOVXSKESA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)[C@@H]1CCCCC[C@]1(N)C[NH3+] 575489176 352351912 /nfs/dbraw/zinc/35/19/12/352351912.db2.gz AXASTOAPUSSBFP-QWRGUYRKSA-N 1 3 184.327 1.879 10 0 ADAEHO CC(C)[C@H]1CCCCC[C@@]1(N)C[NH3+] 575489172 352352005 /nfs/dbraw/zinc/35/20/05/352352005.db2.gz AXASTOAPUSSBFP-GHMZBOCLSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[C@@H]1CCCCC[C@]1(N)C[NH3+] 575490160 352355885 /nfs/dbraw/zinc/35/58/85/352355885.db2.gz YIQUVZUORJUFRP-ZJUUUORDSA-N 1 3 170.300 1.633 10 0 ADAEHO CC[C@@H]1CCCCC[C@@]1(N)C[NH3+] 575490157 352356086 /nfs/dbraw/zinc/35/60/86/352356086.db2.gz YIQUVZUORJUFRP-NXEZZACHSA-N 1 3 170.300 1.633 10 0 ADAEHO CC[C@H]1CCCCC[C@]1(N)C[NH3+] 575490158 352356095 /nfs/dbraw/zinc/35/60/95/352356095.db2.gz YIQUVZUORJUFRP-UWVGGRQHSA-N 1 3 170.300 1.633 10 0 ADAEHO CC[C@H]1CCCCC[C@@]1(N)C[NH3+] 575490159 352356204 /nfs/dbraw/zinc/35/62/04/352356204.db2.gz YIQUVZUORJUFRP-VHSXEESVSA-N 1 3 170.300 1.633 10 0 ADAEHO CC1CN([C@@]2(C[NH3+])CCC[C@H]2C)C1 575493394 352372072 /nfs/dbraw/zinc/37/20/72/352372072.db2.gz BOVXXOAOPCEFTC-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@]2(C[NH3+])CC[C@H]3C[C@H]32)C1 575493385 352372111 /nfs/dbraw/zinc/37/21/11/352372111.db2.gz BFQADLJZMZQKAK-AXFHLTTASA-N 1 3 180.295 1.066 10 0 ADAEHO CC1CN([C@]2(C[NH3+])CCC[C@@H]2C)C1 575493398 352372161 /nfs/dbraw/zinc/37/21/61/352372161.db2.gz BOVXXOAOPCEFTC-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@]2(C[NH3+])CCC[C@H]2C)C1 575493397 352372225 /nfs/dbraw/zinc/37/22/25/352372225.db2.gz BOVXXOAOPCEFTC-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@]2(C[NH3+])CC[C@@H]3C[C@@H]32)C1 575493389 352372278 /nfs/dbraw/zinc/37/22/78/352372278.db2.gz BFQADLJZMZQKAK-VWYCJHECSA-N 1 3 180.295 1.066 10 0 ADAEHO CC1CN([C@@]2(C[NH3+])CCC[C@@H]2C)C1 575493399 352372303 /nfs/dbraw/zinc/37/23/03/352372303.db2.gz BOVXXOAOPCEFTC-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@]2(C[NH3+])CC[C@H](C)C2)C1 575493599 352373654 /nfs/dbraw/zinc/37/36/54/352373654.db2.gz ISFGHSFMYYMELY-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@@]2(C[NH3+])CC[C@@H](C)C2)C1 575493840 352375030 /nfs/dbraw/zinc/37/50/30/352375030.db2.gz ISFGHSFMYYMELY-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@]2(C[NH3+])CC[C@@H](C)C2)C1 575493842 352375067 /nfs/dbraw/zinc/37/50/67/352375067.db2.gz ISFGHSFMYYMELY-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN([C@@]2(C[NH3+])CC[C@H](C)C2)C1 575493843 352375106 /nfs/dbraw/zinc/37/51/06/352375106.db2.gz ISFGHSFMYYMELY-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C2(C[NH3+])CCCCC2)C1 575494492 352378777 /nfs/dbraw/zinc/37/87/77/352378777.db2.gz TWFLUZKAGHGCCK-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@]1([NH3+])CCN(CC2CC=CC2)C1 575494659 352379362 /nfs/dbraw/zinc/37/93/62/352379362.db2.gz OGPYHFVMKAXVNJ-LLVKDONJSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@]1([NH3+])CCN(CC2CC=CC2)C1 575494660 352379799 /nfs/dbraw/zinc/37/97/99/352379799.db2.gz OGPYHFVMKAXVNJ-NSHDSACASA-N 1 3 180.295 1.376 10 0 ADAEHO C[NH2+]C[C@]1(C)CCCC[C@H]1N 575495809 352383142 /nfs/dbraw/zinc/38/31/42/352383142.db2.gz CBSLLDDYFNAFBL-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+]C[C@]1(C)CCCC[C@@H]1N 575495811 352383449 /nfs/dbraw/zinc/38/34/49/352383449.db2.gz CBSLLDDYFNAFBL-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+]C[C@@]1(C)CCCC[C@H]1N 575495812 352383467 /nfs/dbraw/zinc/38/34/67/352383467.db2.gz CBSLLDDYFNAFBL-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+]C[C@@]1(C)CCCC[C@@H]1N 575495810 352383503 /nfs/dbraw/zinc/38/35/03/352383503.db2.gz CBSLLDDYFNAFBL-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO CN(C)C[C@]1(C)CCCC[C@H]1[NH3+] 575496325 352385335 /nfs/dbraw/zinc/38/53/35/352385335.db2.gz LREHWMPRKFIPHW-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)C[C@]1(C)CCCC[C@@H]1[NH3+] 575496322 352385403 /nfs/dbraw/zinc/38/54/03/352385403.db2.gz LREHWMPRKFIPHW-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)C[C@@]1(C)CCCC[C@H]1[NH3+] 575496321 352385536 /nfs/dbraw/zinc/38/55/36/352385536.db2.gz LREHWMPRKFIPHW-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CN(C)C[C@@]1(C)CCCC[C@@H]1[NH3+] 575496323 352385603 /nfs/dbraw/zinc/38/56/03/352385603.db2.gz LREHWMPRKFIPHW-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@]1(CN2CCC2)CCCC[C@H]1[NH3+] 575496762 352386429 /nfs/dbraw/zinc/38/64/29/352386429.db2.gz RNRCYDDLRZZCLD-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@]1(CN2CCC2)CCCC[C@@H]1[NH3+] 575496764 352386468 /nfs/dbraw/zinc/38/64/68/352386468.db2.gz RNRCYDDLRZZCLD-WDEREUQCSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@]1(CN2CCC2)CCCC[C@H]1[NH3+] 575496761 352386547 /nfs/dbraw/zinc/38/65/47/352386547.db2.gz RNRCYDDLRZZCLD-GHMZBOCLSA-N 1 3 182.311 1.600 10 0 ADAEHO C[C@@]1(CN2CCC2)CCCC[C@@H]1[NH3+] 575496763 352386579 /nfs/dbraw/zinc/38/65/79/352386579.db2.gz RNRCYDDLRZZCLD-QWRGUYRKSA-N 1 3 182.311 1.600 10 0 ADAEHO CC[N@@H+]1C[C@@H](CN)C2(CCC2)C1 575496933 352387536 /nfs/dbraw/zinc/38/75/36/352387536.db2.gz CPCIYIQKOFYELV-SECBINFHSA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@H+]1C[C@@H](CN)C2(CCC2)C1 575496933 352387537 /nfs/dbraw/zinc/38/75/37/352387537.db2.gz CPCIYIQKOFYELV-SECBINFHSA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@@H+]1C[C@H](CN)C2(CCC2)C1 575497085 352388432 /nfs/dbraw/zinc/38/84/32/352388432.db2.gz CPCIYIQKOFYELV-VIFPVBQESA-N 1 3 168.284 1.067 10 0 ADAEHO CC[N@H+]1C[C@H](CN)C2(CCC2)C1 575497085 352388433 /nfs/dbraw/zinc/38/84/33/352388433.db2.gz CPCIYIQKOFYELV-VIFPVBQESA-N 1 3 168.284 1.067 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](CN)C2(CCC2)C1 575498329 352394396 /nfs/dbraw/zinc/39/43/96/352394396.db2.gz XEVOUFUNEXDEOJ-SNVBAGLBSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](CN)C2(CCC2)C1 575498329 352394400 /nfs/dbraw/zinc/39/44/00/352394400.db2.gz XEVOUFUNEXDEOJ-SNVBAGLBSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)C2(CCC2)C1 575498328 352394640 /nfs/dbraw/zinc/39/46/40/352394640.db2.gz XEVOUFUNEXDEOJ-JTQLQIEISA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)C2(CCC2)C1 575498328 352394642 /nfs/dbraw/zinc/39/46/42/352394642.db2.gz XEVOUFUNEXDEOJ-JTQLQIEISA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]2C1 575498885 352397264 /nfs/dbraw/zinc/39/72/64/352397264.db2.gz AHWMMMOQZHQMHQ-AXTSPUMRSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]2C1 575498885 352397268 /nfs/dbraw/zinc/39/72/68/352397268.db2.gz AHWMMMOQZHQMHQ-AXTSPUMRSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@H]2C[C@H]2C1 575498887 352397285 /nfs/dbraw/zinc/39/72/85/352397285.db2.gz AHWMMMOQZHQMHQ-XKNYDFJKSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@H]2C[C@H]2C1 575498887 352397286 /nfs/dbraw/zinc/39/72/86/352397286.db2.gz AHWMMMOQZHQMHQ-XKNYDFJKSA-N 1 3 168.284 1.064 10 0 ADAEHO NC1(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CCC1 575499148 352398992 /nfs/dbraw/zinc/39/89/92/352398992.db2.gz GCVUCXRHOKOIMY-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC1(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CCC1 575499148 352398995 /nfs/dbraw/zinc/39/89/95/352398995.db2.gz GCVUCXRHOKOIMY-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC1(C[N@@H+]2CC[C@H]3C[C@H]3C2)CCC1 575499149 352399014 /nfs/dbraw/zinc/39/90/14/352399014.db2.gz GCVUCXRHOKOIMY-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC1(C[N@H+]2CC[C@H]3C[C@H]3C2)CCC1 575499149 352399018 /nfs/dbraw/zinc/39/90/18/352399018.db2.gz GCVUCXRHOKOIMY-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N[C@H]2C=CCC2)C1 575499784 352403123 /nfs/dbraw/zinc/40/31/23/352403123.db2.gz AXIWDPGDRIDXCE-KXUCPTDWSA-N 1 3 166.268 1.174 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1C=CCC1 575499616 352402326 /nfs/dbraw/zinc/40/23/26/352402326.db2.gz LEGIAGNQGRVWJB-GMTAPVOTSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1C=CCC1 575499616 352402327 /nfs/dbraw/zinc/40/23/27/352402327.db2.gz LEGIAGNQGRVWJB-GMTAPVOTSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C=CCC1 575499623 352402405 /nfs/dbraw/zinc/40/24/05/352402405.db2.gz LEGIAGNQGRVWJB-MXWKQRLJSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C=CCC1 575499623 352402406 /nfs/dbraw/zinc/40/24/06/352402406.db2.gz LEGIAGNQGRVWJB-MXWKQRLJSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C=CCC1 575499627 352402468 /nfs/dbraw/zinc/40/24/68/352402468.db2.gz LEGIAGNQGRVWJB-OUAUKWLOSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1C=CCC1 575499627 352402469 /nfs/dbraw/zinc/40/24/69/352402469.db2.gz LEGIAGNQGRVWJB-OUAUKWLOSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C=CCC1 575499633 352402492 /nfs/dbraw/zinc/40/24/92/352402492.db2.gz LEGIAGNQGRVWJB-VWYCJHECSA-N 1 3 180.295 1.293 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1C=CCC1 575499633 352402494 /nfs/dbraw/zinc/40/24/94/352402494.db2.gz LEGIAGNQGRVWJB-VWYCJHECSA-N 1 3 180.295 1.293 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CC[C@@H]2C[C@@H]2C1 575499781 352403228 /nfs/dbraw/zinc/40/32/28/352403228.db2.gz OOZADERXKNSVBP-YTWAJWBKSA-N 1 3 180.295 1.066 10 0 ADAEHO CC1(C)[C@H]([NH3+])C[C@H]1N[C@@H]1C=CCC1 575499778 352402859 /nfs/dbraw/zinc/40/28/59/352402859.db2.gz MWAYDTQXYOGBQZ-OPRDCNLKSA-N 1 3 180.295 1.420 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H]1C=CCC1 575499778 352402863 /nfs/dbraw/zinc/40/28/63/352402863.db2.gz MWAYDTQXYOGBQZ-OPRDCNLKSA-N 1 3 180.295 1.420 10 0 ADAEHO CC1(C)[C@@H](N[C@H]2C=CCC2)C[C@H]1[NH3+] 575499764 352402911 /nfs/dbraw/zinc/40/29/11/352402911.db2.gz MWAYDTQXYOGBQZ-AEJSXWLSSA-N 1 3 180.295 1.420 10 0 ADAEHO CC1(C)[C@@H]([NH2+][C@H]2C=CCC2)C[C@H]1N 575499764 352402915 /nfs/dbraw/zinc/40/29/15/352402915.db2.gz MWAYDTQXYOGBQZ-AEJSXWLSSA-N 1 3 180.295 1.420 10 0 ADAEHO CC1(C)[C@@H](N[C@@H]2C=CCC2)C[C@H]1[NH3+] 575499771 352403083 /nfs/dbraw/zinc/40/30/83/352403083.db2.gz MWAYDTQXYOGBQZ-BBBLOLIVSA-N 1 3 180.295 1.420 10 0 ADAEHO CC1(C)[C@@H]([NH2+][C@@H]2C=CCC2)C[C@H]1N 575499771 352403086 /nfs/dbraw/zinc/40/30/86/352403086.db2.gz MWAYDTQXYOGBQZ-BBBLOLIVSA-N 1 3 180.295 1.420 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CC[C@H]2C[C@H]2C1 575499775 352403171 /nfs/dbraw/zinc/40/31/71/352403171.db2.gz OOZADERXKNSVBP-NAKRPEOUSA-N 1 3 180.295 1.066 10 0 ADAEHO CC1(C)[C@H]([NH3+])C[C@H]1N[C@H]1C=CCC1 575499777 352403233 /nfs/dbraw/zinc/40/32/33/352403233.db2.gz MWAYDTQXYOGBQZ-IVZWLZJFSA-N 1 3 180.295 1.420 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@H]1C=CCC1 575499777 352403236 /nfs/dbraw/zinc/40/32/36/352403236.db2.gz MWAYDTQXYOGBQZ-IVZWLZJFSA-N 1 3 180.295 1.420 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N[C@@H]2C=CCC2)C1 575499772 352403241 /nfs/dbraw/zinc/40/32/41/352403241.db2.gz AXIWDPGDRIDXCE-BBBLOLIVSA-N 1 3 166.268 1.174 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N[C@@H]2C=CCC2)C1 575499787 352403498 /nfs/dbraw/zinc/40/34/98/352403498.db2.gz AXIWDPGDRIDXCE-OPRDCNLKSA-N 1 3 166.268 1.174 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N[C@H]2C=CCC2)C1 575499789 352403686 /nfs/dbraw/zinc/40/36/86/352403686.db2.gz AXIWDPGDRIDXCE-UTLUCORTSA-N 1 3 166.268 1.174 10 0 ADAEHO C1CC([N@H+]2CC[C@@H]3C[C@@H]3C2)CCN1 575500072 352405203 /nfs/dbraw/zinc/40/52/03/352405203.db2.gz QNPXQDKGTQJMQS-NXEZZACHSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([N@@H+]2CC[C@@H]3C[C@@H]3C2)CCN1 575500072 352405200 /nfs/dbraw/zinc/40/52/00/352405200.db2.gz QNPXQDKGTQJMQS-NXEZZACHSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([N@@H+]2CC[C@H]3C[C@H]3C2)CCN1 575500074 352405570 /nfs/dbraw/zinc/40/55/70/352405570.db2.gz QNPXQDKGTQJMQS-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([N@H+]2CC[C@H]3C[C@H]3C2)CCN1 575500074 352405572 /nfs/dbraw/zinc/40/55/72/352405572.db2.gz QNPXQDKGTQJMQS-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)CCN1 575500817 352408857 /nfs/dbraw/zinc/40/88/57/352408857.db2.gz XDJIYBWFCZZCME-VWYCJHECSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@@H]2C=CCC2)CC[NH2+]1 575500813 352408790 /nfs/dbraw/zinc/40/87/90/352408790.db2.gz XDJIYBWFCZZCME-MXWKQRLJSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)CCN1 575500813 352408792 /nfs/dbraw/zinc/40/87/92/352408792.db2.gz XDJIYBWFCZZCME-MXWKQRLJSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@H]2C=CCC2)CC[NH2+]1 575500817 352408856 /nfs/dbraw/zinc/40/88/56/352408856.db2.gz XDJIYBWFCZZCME-VWYCJHECSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2C=CCC2)CC[NH2+]1 575500815 352408988 /nfs/dbraw/zinc/40/89/88/352408988.db2.gz XDJIYBWFCZZCME-OUAUKWLOSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)CCN1 575500815 352408990 /nfs/dbraw/zinc/40/89/90/352408990.db2.gz XDJIYBWFCZZCME-OUAUKWLOSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2C=CCC2)CC[NH2+]1 575500811 352409049 /nfs/dbraw/zinc/40/90/49/352409049.db2.gz XDJIYBWFCZZCME-GMTAPVOTSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)CCN1 575500811 352409052 /nfs/dbraw/zinc/40/90/52/352409052.db2.gz XDJIYBWFCZZCME-GMTAPVOTSA-N 1 3 180.295 1.435 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CC[C@@H]3C[C@@H]3C2)C1 575501217 352410880 /nfs/dbraw/zinc/41/08/80/352410880.db2.gz ZAZAQXYFBHUTIV-DBIOUOCHSA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CC[C@H]3C[C@H]3C2)C1 575501219 352411268 /nfs/dbraw/zinc/41/12/68/352411268.db2.gz ZAZAQXYFBHUTIV-MMWGEVLESA-N 1 3 180.295 1.208 10 0 ADAEHO CC[NH2+][C@@H]1[C@H]2CCCN[C@@H]2C1(C)C 575501407 352411731 /nfs/dbraw/zinc/41/17/31/352411731.db2.gz KYPLXEGYFOEITG-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO CCN[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C 575501407 352411734 /nfs/dbraw/zinc/41/17/34/352411734.db2.gz KYPLXEGYFOEITG-BBBLOLIVSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C 575501406 352411816 /nfs/dbraw/zinc/41/18/16/352411816.db2.gz KYPLXEGYFOEITG-AEJSXWLSSA-N 1 3 182.311 1.373 10 0 ADAEHO CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C 575501406 352411817 /nfs/dbraw/zinc/41/18/17/352411817.db2.gz KYPLXEGYFOEITG-AEJSXWLSSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[NH2+][C@@H]1[C@@H]2CCCN[C@H]2C1(C)C 575501408 352411835 /nfs/dbraw/zinc/41/18/35/352411835.db2.gz KYPLXEGYFOEITG-IVZWLZJFSA-N 1 3 182.311 1.373 10 0 ADAEHO CCN[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C 575501408 352411838 /nfs/dbraw/zinc/41/18/38/352411838.db2.gz KYPLXEGYFOEITG-IVZWLZJFSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[NH2+][C@@H]1[C@H]2CCCN[C@H]2C1(C)C 575501409 352411946 /nfs/dbraw/zinc/41/19/46/352411946.db2.gz KYPLXEGYFOEITG-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO CCN[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C 575501409 352411950 /nfs/dbraw/zinc/41/19/50/352411950.db2.gz KYPLXEGYFOEITG-OPRDCNLKSA-N 1 3 182.311 1.373 10 0 ADAEHO NC[C@H]1C[N@@H+](C2CC2)CC12CCC2 575502705 352418234 /nfs/dbraw/zinc/41/82/34/352418234.db2.gz YCVDUBVZCJZSBW-VIFPVBQESA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@H]1C[N@H+](C2CC2)CC12CCC2 575502705 352418236 /nfs/dbraw/zinc/41/82/36/352418236.db2.gz YCVDUBVZCJZSBW-VIFPVBQESA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+]C[C@H]1CN(C2CC2)CC12CCC2 575502705 352418240 /nfs/dbraw/zinc/41/82/40/352418240.db2.gz YCVDUBVZCJZSBW-VIFPVBQESA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1C[N@@H+](C2CC2)CC12CCC2 575502703 352418414 /nfs/dbraw/zinc/41/84/14/352418414.db2.gz YCVDUBVZCJZSBW-SECBINFHSA-N 1 3 180.295 1.210 10 0 ADAEHO NC[C@@H]1C[N@H+](C2CC2)CC12CCC2 575502703 352418416 /nfs/dbraw/zinc/41/84/16/352418416.db2.gz YCVDUBVZCJZSBW-SECBINFHSA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+]C[C@@H]1CN(C2CC2)CC12CCC2 575502703 352418419 /nfs/dbraw/zinc/41/84/19/352418419.db2.gz YCVDUBVZCJZSBW-SECBINFHSA-N 1 3 180.295 1.210 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@H]1C=CCC1 575503177 352420671 /nfs/dbraw/zinc/42/06/71/352420671.db2.gz DXZMNTBSMSHMLC-VWYCJHECSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1C=CCC1 575503175 352420791 /nfs/dbraw/zinc/42/07/91/352420791.db2.gz DXZMNTBSMSHMLC-MXWKQRLJSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1C=CCC1 575503176 352420845 /nfs/dbraw/zinc/42/08/45/352420845.db2.gz DXZMNTBSMSHMLC-OUAUKWLOSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1C=CCC1 575503174 352420923 /nfs/dbraw/zinc/42/09/23/352420923.db2.gz DXZMNTBSMSHMLC-GMTAPVOTSA-N 1 3 180.295 1.517 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2C=CCC2)CCCN1 575503273 352421428 /nfs/dbraw/zinc/42/14/28/352421428.db2.gz JSRJCOZFSGYBBW-GHMZBOCLSA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2C=CCC2)CCCN1 575503273 352421431 /nfs/dbraw/zinc/42/14/31/352421431.db2.gz JSRJCOZFSGYBBW-GHMZBOCLSA-N 1 3 180.295 1.389 10 0 ADAEHO [NH3+]C1CCN([C@H]2C=CCC2)CC1 575503237 352421669 /nfs/dbraw/zinc/42/16/69/352421669.db2.gz HWLDQILIQAAQPQ-JTQLQIEISA-N 1 3 166.268 1.128 10 0 ADAEHO C[C@H]1C[N@@H+]([C@@H]2C=CCC2)CCCN1 575503276 352421686 /nfs/dbraw/zinc/42/16/86/352421686.db2.gz JSRJCOZFSGYBBW-WDEREUQCSA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@H]1C[N@H+]([C@@H]2C=CCC2)CCCN1 575503276 352421687 /nfs/dbraw/zinc/42/16/87/352421687.db2.gz JSRJCOZFSGYBBW-WDEREUQCSA-N 1 3 180.295 1.389 10 0 ADAEHO [NH3+]C1CCN([C@@H]2C=CCC2)CC1 575503238 352421805 /nfs/dbraw/zinc/42/18/05/352421805.db2.gz HWLDQILIQAAQPQ-SNVBAGLBSA-N 1 3 166.268 1.128 10 0 ADAEHO C[C@H]1C[N@@H+]([C@H]2C=CCC2)CCCN1 575503275 352421830 /nfs/dbraw/zinc/42/18/30/352421830.db2.gz JSRJCOZFSGYBBW-QWRGUYRKSA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@H]1C[N@H+]([C@H]2C=CCC2)CCCN1 575503275 352421831 /nfs/dbraw/zinc/42/18/31/352421831.db2.gz JSRJCOZFSGYBBW-QWRGUYRKSA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H]2C=CCC2)CCCN1 575503274 352421844 /nfs/dbraw/zinc/42/18/44/352421844.db2.gz JSRJCOZFSGYBBW-MNOVXSKESA-N 1 3 180.295 1.389 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H]2C=CCC2)CCCN1 575503274 352421846 /nfs/dbraw/zinc/42/18/46/352421846.db2.gz JSRJCOZFSGYBBW-MNOVXSKESA-N 1 3 180.295 1.389 10 0 ADAEHO C1=C[C@@H]([N@@H+]2CCCNCC2)CC1 575503483 352423115 /nfs/dbraw/zinc/42/31/15/352423115.db2.gz RDXAOLBDUPMDGI-SNVBAGLBSA-N 1 3 166.268 1.000 10 0 ADAEHO C1=C[C@@H]([N@H+]2CCCNCC2)CC1 575503483 352423118 /nfs/dbraw/zinc/42/31/18/352423118.db2.gz RDXAOLBDUPMDGI-SNVBAGLBSA-N 1 3 166.268 1.000 10 0 ADAEHO C1=C[C@H]([N@@H+]2CCCNCC2)CC1 575503482 352423236 /nfs/dbraw/zinc/42/32/36/352423236.db2.gz RDXAOLBDUPMDGI-JTQLQIEISA-N 1 3 166.268 1.000 10 0 ADAEHO C1=C[C@H]([N@H+]2CCCNCC2)CC1 575503482 352423238 /nfs/dbraw/zinc/42/32/38/352423238.db2.gz RDXAOLBDUPMDGI-JTQLQIEISA-N 1 3 166.268 1.000 10 0 ADAEHO C[C@@H]1CN([C@@H]2C=CCC2)CC[C@@H]1[NH3+] 575503592 352423673 /nfs/dbraw/zinc/42/36/73/352423673.db2.gz WAPFKHRIHGWZEU-MXWKQRLJSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1CN([C@H]2C=CCC2)CC[C@H]1[NH3+] 575503593 352423995 /nfs/dbraw/zinc/42/39/95/352423995.db2.gz WAPFKHRIHGWZEU-OUAUKWLOSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1CN([C@H]2C=CCC2)CC[C@@H]1[NH3+] 575503594 352424011 /nfs/dbraw/zinc/42/40/11/352424011.db2.gz WAPFKHRIHGWZEU-VWYCJHECSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1CN([C@@H]2C=CCC2)CC[C@H]1[NH3+] 575503591 352424096 /nfs/dbraw/zinc/42/40/96/352424096.db2.gz WAPFKHRIHGWZEU-GMTAPVOTSA-N 1 3 180.295 1.374 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C2CCC2)CCN1 575505069 352429718 /nfs/dbraw/zinc/42/97/18/352429718.db2.gz SBXFWIVRWBGPPX-SCZZXKLOSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1C[C@@H](NC2CCC2)CC[NH2+]1 575505069 352429720 /nfs/dbraw/zinc/42/97/20/352429720.db2.gz SBXFWIVRWBGPPX-SCZZXKLOSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C2CCC2)CCN1 575505071 352429746 /nfs/dbraw/zinc/42/97/46/352429746.db2.gz SBXFWIVRWBGPPX-WPRPVWTQSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[C@@H](NC2CCC2)CC[NH2+]1 575505071 352429748 /nfs/dbraw/zinc/42/97/48/352429748.db2.gz SBXFWIVRWBGPPX-WPRPVWTQSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C2CCC2)CCN1 575505068 352429837 /nfs/dbraw/zinc/42/98/37/352429837.db2.gz SBXFWIVRWBGPPX-PSASIEDQSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@@H]1C[C@H](NC2CCC2)CC[NH2+]1 575505068 352429839 /nfs/dbraw/zinc/42/98/39/352429839.db2.gz SBXFWIVRWBGPPX-PSASIEDQSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]C2CCC2)CCN1 575505070 352429871 /nfs/dbraw/zinc/42/98/71/352429871.db2.gz SBXFWIVRWBGPPX-WCBMZHEXSA-N 1 3 168.284 1.269 10 0 ADAEHO C[C@H]1C[C@H](NC2CCC2)CC[NH2+]1 575505070 352429872 /nfs/dbraw/zinc/42/98/72/352429872.db2.gz SBXFWIVRWBGPPX-WCBMZHEXSA-N 1 3 168.284 1.269 10 0 ADAEHO C[NH+](C)[C@@H]1[C@H]2CCCN[C@H]2C1(C)C 575505469 352430795 /nfs/dbraw/zinc/43/07/95/352430795.db2.gz OUXUATOJBDUUPQ-IVZWLZJFSA-N 1 3 182.311 1.325 10 0 ADAEHO C[NH+](C)[C@@H]1[C@H]2CCCN[C@@H]2C1(C)C 575505479 352430907 /nfs/dbraw/zinc/43/09/07/352430907.db2.gz OUXUATOJBDUUPQ-LPEHRKFASA-N 1 3 182.311 1.325 10 0 ADAEHO C[NH+](C)[C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C 575505478 352430958 /nfs/dbraw/zinc/43/09/58/352430958.db2.gz OUXUATOJBDUUPQ-KXUCPTDWSA-N 1 3 182.311 1.325 10 0 ADAEHO C[NH+](C)[C@@H]1[C@@H]2CCCN[C@H]2C1(C)C 575505480 352431015 /nfs/dbraw/zinc/43/10/15/352431015.db2.gz OUXUATOJBDUUPQ-OPRDCNLKSA-N 1 3 182.311 1.325 10 0 ADAEHO CC1CN(C[C@@H]2CCC[C@@H]2[NH3+])C1 575505841 352432208 /nfs/dbraw/zinc/43/22/08/352432208.db2.gz AFXMWAJTXRYZRW-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN(C[C@H]2CCC[C@H]2[NH3+])C1 575505839 352432297 /nfs/dbraw/zinc/43/22/97/352432297.db2.gz AFXMWAJTXRYZRW-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN(C[C@H]2CCC[C@@H]2[NH3+])C1 575505844 352432304 /nfs/dbraw/zinc/43/23/04/352432304.db2.gz AFXMWAJTXRYZRW-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN(C[C@@H]2CCC[C@H]2[NH3+])C1 575505842 352432443 /nfs/dbraw/zinc/43/24/43/352432443.db2.gz AFXMWAJTXRYZRW-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN(C[C@@H]2CCC[NH2+][C@@H]2C)C1 575506634 352436483 /nfs/dbraw/zinc/43/64/83/352436483.db2.gz NICCYLOFPCUIEW-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN(C[C@H]2CCC[NH2+][C@H]2C)C1 575506636 352436563 /nfs/dbraw/zinc/43/65/63/352436563.db2.gz NICCYLOFPCUIEW-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN(C[C@H]2CCC[NH2+][C@@H]2C)C1 575506633 352436620 /nfs/dbraw/zinc/43/66/20/352436620.db2.gz NICCYLOFPCUIEW-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN(C[C@@H]2CCC[NH2+][C@H]2C)C1 575506635 352436848 /nfs/dbraw/zinc/43/68/48/352436848.db2.gz NICCYLOFPCUIEW-QWRGUYRKSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN(C[C@H]2C[NH2+]CC[C@@H]2C)C1 575506926 352438228 /nfs/dbraw/zinc/43/82/28/352438228.db2.gz PGMQAUPRXDNRBK-WDEREUQCSA-N 1 3 182.311 1.184 10 0 ADAEHO CC1CN(C[C@@H]2C[NH2+]CC[C@H]2C)C1 575506914 352438237 /nfs/dbraw/zinc/43/82/37/352438237.db2.gz PGMQAUPRXDNRBK-MNOVXSKESA-N 1 3 182.311 1.184 10 0 ADAEHO CC1CN(C[C@H]2C[NH2+]CC[C@H]2C)C1 575506912 352438413 /nfs/dbraw/zinc/43/84/13/352438413.db2.gz PGMQAUPRXDNRBK-GHMZBOCLSA-N 1 3 182.311 1.184 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CCC(F)CC1 575510651 352461147 /nfs/dbraw/zinc/46/11/47/352461147.db2.gz IKGCRXXPUMJTMM-WPRPVWTQSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H]1N1CCC(F)CC1 575510648 352461300 /nfs/dbraw/zinc/46/13/00/352461300.db2.gz IKGCRXXPUMJTMM-PSASIEDQSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H]1N1CCC(F)CC1 575510650 352461394 /nfs/dbraw/zinc/46/13/94/352461394.db2.gz IKGCRXXPUMJTMM-WCBMZHEXSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H]1N1CCC(F)CC1 575510649 352461448 /nfs/dbraw/zinc/46/14/48/352461448.db2.gz IKGCRXXPUMJTMM-SCZZXKLOSA-N 1 3 186.274 1.158 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCNC(C)(C)C1 575511027 352463615 /nfs/dbraw/zinc/46/36/15/352463615.db2.gz AMVOHTUEZGWMCO-OPRDCNLKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 575511027 352463617 /nfs/dbraw/zinc/46/36/17/352463617.db2.gz AMVOHTUEZGWMCO-OPRDCNLKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCNC(C)(C)C1 575511028 352463716 /nfs/dbraw/zinc/46/37/16/352463716.db2.gz AMVOHTUEZGWMCO-UTLUCORTSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CC[NH2+]C(C)(C)C1 575511028 352463720 /nfs/dbraw/zinc/46/37/20/352463720.db2.gz AMVOHTUEZGWMCO-UTLUCORTSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+][C@H]1CCNC(C)(C)C1 575511025 352463757 /nfs/dbraw/zinc/46/37/57/352463757.db2.gz AMVOHTUEZGWMCO-KXUCPTDWSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H]1N[C@H]1CC[NH2+]C(C)(C)C1 575511025 352463760 /nfs/dbraw/zinc/46/37/60/352463760.db2.gz AMVOHTUEZGWMCO-KXUCPTDWSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCNC(C)(C)C1 575511024 352463857 /nfs/dbraw/zinc/46/38/57/352463857.db2.gz AMVOHTUEZGWMCO-BBBLOLIVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[NH2+]C(C)(C)C1 575511024 352463860 /nfs/dbraw/zinc/46/38/60/352463860.db2.gz AMVOHTUEZGWMCO-BBBLOLIVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1C[C@H]([N@H+](C)C2CCC2)CCN1 575511159 352464325 /nfs/dbraw/zinc/46/43/25/352464325.db2.gz CAHNZNKIHVKCNU-GXSJLCMTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+](C)C2CCC2)CCN1 575511159 352464328 /nfs/dbraw/zinc/46/43/28/352464328.db2.gz CAHNZNKIHVKCNU-GXSJLCMTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H](N(C)C2CCC2)CC[NH2+]1 575511159 352464329 /nfs/dbraw/zinc/46/43/29/352464329.db2.gz CAHNZNKIHVKCNU-GXSJLCMTSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+](C)C2CCC2)CCN1 575511167 352464401 /nfs/dbraw/zinc/46/44/01/352464401.db2.gz CAHNZNKIHVKCNU-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+](C)C2CCC2)CCN1 575511167 352464403 /nfs/dbraw/zinc/46/44/03/352464403.db2.gz CAHNZNKIHVKCNU-ONGXEEELSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+](C)C2CCC2)CCN1 575511166 352464443 /nfs/dbraw/zinc/46/44/43/352464443.db2.gz CAHNZNKIHVKCNU-MWLCHTKSSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+](C)C2CCC2)CCN1 575511166 352464446 /nfs/dbraw/zinc/46/44/46/352464446.db2.gz CAHNZNKIHVKCNU-MWLCHTKSSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H](N(C)C2CCC2)CC[NH2+]1 575511166 352464448 /nfs/dbraw/zinc/46/44/48/352464448.db2.gz CAHNZNKIHVKCNU-MWLCHTKSSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+](C)C2CCC2)CCN1 575511165 352464683 /nfs/dbraw/zinc/46/46/83/352464683.db2.gz CAHNZNKIHVKCNU-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+](C)C2CCC2)CCN1 575511165 352464687 /nfs/dbraw/zinc/46/46/87/352464687.db2.gz CAHNZNKIHVKCNU-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H](N(C)C2CCC2)CC[NH2+]1 575511165 352464689 /nfs/dbraw/zinc/46/46/89/352464689.db2.gz CAHNZNKIHVKCNU-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO N[C@@]1(C[NH3+])CCCC[C@H]1C1CC1 575511605 352467047 /nfs/dbraw/zinc/46/70/47/352467047.db2.gz GQVSDQXOINBFAW-VHSXEESVSA-N 1 3 168.284 1.243 10 0 ADAEHO CC1(C)C[C@@H]([NH+]2CCC2)CCN1 575511564 352467088 /nfs/dbraw/zinc/46/70/88/352467088.db2.gz GBTZOFICOIAXEF-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)C[C@H]([NH+]2CCC2)CCN1 575511563 352467098 /nfs/dbraw/zinc/46/70/98/352467098.db2.gz GBTZOFICOIAXEF-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO N[C@]1(C[NH3+])CCCC[C@H]1C1CC1 575511603 352467144 /nfs/dbraw/zinc/46/71/44/352467144.db2.gz GQVSDQXOINBFAW-UWVGGRQHSA-N 1 3 168.284 1.243 10 0 ADAEHO N[C@]1(C[NH3+])CCCC[C@@H]1C1CC1 575511606 352467184 /nfs/dbraw/zinc/46/71/84/352467184.db2.gz GQVSDQXOINBFAW-ZJUUUORDSA-N 1 3 168.284 1.243 10 0 ADAEHO N[C@@]1(C[NH3+])CCCC[C@@H]1C1CC1 575511601 352467195 /nfs/dbraw/zinc/46/71/95/352467195.db2.gz GQVSDQXOINBFAW-NXEZZACHSA-N 1 3 168.284 1.243 10 0 ADAEHO C[C@@H]1C[C@H](N(C)C2CC2)CC[NH2+]1 575512354 352471547 /nfs/dbraw/zinc/47/15/47/352471547.db2.gz NWVLKLMHNWIGFL-PSASIEDQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+](C)C2CC2)CCN1 575512354 352471551 /nfs/dbraw/zinc/47/15/51/352471551.db2.gz NWVLKLMHNWIGFL-PSASIEDQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+](C)C2CC2)CCN1 575512354 352471555 /nfs/dbraw/zinc/47/15/55/352471555.db2.gz NWVLKLMHNWIGFL-PSASIEDQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@@H](N(C)C2CC2)CC[NH2+]1 575512355 352471578 /nfs/dbraw/zinc/47/15/78/352471578.db2.gz NWVLKLMHNWIGFL-SCZZXKLOSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+](C)C2CC2)CCN1 575512355 352471581 /nfs/dbraw/zinc/47/15/81/352471581.db2.gz NWVLKLMHNWIGFL-SCZZXKLOSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+](C)C2CC2)CCN1 575512355 352471582 /nfs/dbraw/zinc/47/15/82/352471582.db2.gz NWVLKLMHNWIGFL-SCZZXKLOSA-N 1 3 168.284 1.221 10 0 ADAEHO NC1(C[NH3+])CCC(C2CCC2)CC1 575512347 352471792 /nfs/dbraw/zinc/47/17/92/352471792.db2.gz NSMXGMRMFHJWKT-UHFFFAOYSA-N 1 3 182.311 1.633 10 0 ADAEHO C[C@H]1C[C@H](N(C)C2CC2)CC[NH2+]1 575512356 352472153 /nfs/dbraw/zinc/47/21/53/352472153.db2.gz NWVLKLMHNWIGFL-WCBMZHEXSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1C[C@H]([N@H+](C)C2CC2)CCN1 575512356 352472157 /nfs/dbraw/zinc/47/21/57/352472157.db2.gz NWVLKLMHNWIGFL-WCBMZHEXSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+](C)C2CC2)CCN1 575512356 352472160 /nfs/dbraw/zinc/47/21/60/352472160.db2.gz NWVLKLMHNWIGFL-WCBMZHEXSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1C[C@@H](N(C)C2CC2)CC[NH2+]1 575512357 352472224 /nfs/dbraw/zinc/47/22/24/352472224.db2.gz NWVLKLMHNWIGFL-WPRPVWTQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+](C)C2CC2)CCN1 575512357 352472227 /nfs/dbraw/zinc/47/22/27/352472227.db2.gz NWVLKLMHNWIGFL-WPRPVWTQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+](C)C2CC2)CCN1 575512357 352472231 /nfs/dbraw/zinc/47/22/31/352472231.db2.gz NWVLKLMHNWIGFL-WPRPVWTQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@H]3C2)CCN1 575512461 352472576 /nfs/dbraw/zinc/47/25/76/352472576.db2.gz OVGUICYPRCTOGH-CHWFTXMASA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)CCN1 575512461 352472577 /nfs/dbraw/zinc/47/25/77/352472577.db2.gz OVGUICYPRCTOGH-CHWFTXMASA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)CCN1 575512464 352472596 /nfs/dbraw/zinc/47/25/96/352472596.db2.gz OVGUICYPRCTOGH-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)CCN1 575512464 352472598 /nfs/dbraw/zinc/47/25/98/352472598.db2.gz OVGUICYPRCTOGH-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CCN1 575513195 352476347 /nfs/dbraw/zinc/47/63/47/352476347.db2.gz BIOAIFYWAJDEIY-OPRDCNLKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2CC2(C)C)CC[NH2+]1 575513195 352476351 /nfs/dbraw/zinc/47/63/51/352476351.db2.gz BIOAIFYWAJDEIY-OPRDCNLKSA-N 1 3 182.311 1.515 10 0 ADAEHO CN(C1CC1)[C@H]1CC[NH2+]C(C)(C)C1 575513089 352476428 /nfs/dbraw/zinc/47/64/28/352476428.db2.gz ZCJYBGJJMGHUHA-JTQLQIEISA-N 1 3 182.311 1.611 10 0 ADAEHO C[N@H+](C1CC1)[C@H]1CCNC(C)(C)C1 575513089 352476432 /nfs/dbraw/zinc/47/64/32/352476432.db2.gz ZCJYBGJJMGHUHA-JTQLQIEISA-N 1 3 182.311 1.611 10 0 ADAEHO C[N@@H+](C1CC1)[C@H]1CCNC(C)(C)C1 575513089 352476436 /nfs/dbraw/zinc/47/64/36/352476436.db2.gz ZCJYBGJJMGHUHA-JTQLQIEISA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CCN1 575513197 352476592 /nfs/dbraw/zinc/47/65/92/352476592.db2.gz BIOAIFYWAJDEIY-UTLUCORTSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@H]2CC2(C)C)CC[NH2+]1 575513197 352476594 /nfs/dbraw/zinc/47/65/94/352476594.db2.gz BIOAIFYWAJDEIY-UTLUCORTSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CCN1 575513193 352476625 /nfs/dbraw/zinc/47/66/25/352476625.db2.gz BIOAIFYWAJDEIY-BBBLOLIVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2CC2(C)C)CC[NH2+]1 575513193 352476628 /nfs/dbraw/zinc/47/66/28/352476628.db2.gz BIOAIFYWAJDEIY-BBBLOLIVSA-N 1 3 182.311 1.515 10 0 ADAEHO CN(C1CC1)[C@@H]1CC[NH2+]C(C)(C)C1 575513090 352476722 /nfs/dbraw/zinc/47/67/22/352476722.db2.gz ZCJYBGJJMGHUHA-SNVBAGLBSA-N 1 3 182.311 1.611 10 0 ADAEHO C[N@H+](C1CC1)[C@@H]1CCNC(C)(C)C1 575513090 352476723 /nfs/dbraw/zinc/47/67/23/352476723.db2.gz ZCJYBGJJMGHUHA-SNVBAGLBSA-N 1 3 182.311 1.611 10 0 ADAEHO C[N@@H+](C1CC1)[C@@H]1CCNC(C)(C)C1 575513090 352476727 /nfs/dbraw/zinc/47/67/27/352476727.db2.gz ZCJYBGJJMGHUHA-SNVBAGLBSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CCN1 575513194 352476791 /nfs/dbraw/zinc/47/67/91/352476791.db2.gz BIOAIFYWAJDEIY-KXUCPTDWSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@@H]2CC2(C)C)CC[NH2+]1 575513194 352476794 /nfs/dbraw/zinc/47/67/94/352476794.db2.gz BIOAIFYWAJDEIY-KXUCPTDWSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CCN1 575513323 352477065 /nfs/dbraw/zinc/47/70/65/352477065.db2.gz RRSBSAQBUMJCTR-KOLCDFICSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 575513264 352477127 /nfs/dbraw/zinc/47/71/27/352477127.db2.gz IZQTZIOSCJTXEL-LNFKQOIKSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CCN1 575513325 352477178 /nfs/dbraw/zinc/47/71/78/352477178.db2.gz RRSBSAQBUMJCTR-ONGXEEELSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 575513265 352477233 /nfs/dbraw/zinc/47/72/33/352477233.db2.gz IZQTZIOSCJTXEL-ZDCRXTMVSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C2CC=CC2)CCN1 575513324 352477243 /nfs/dbraw/zinc/47/72/43/352477243.db2.gz RRSBSAQBUMJCTR-MWLCHTKSSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C)CCN1 575513263 352477248 /nfs/dbraw/zinc/47/72/48/352477248.db2.gz IZQTZIOSCJTXEL-GWOFURMSSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]C2CC=CC2)CCN1 575513322 352477263 /nfs/dbraw/zinc/47/72/63/352477263.db2.gz RRSBSAQBUMJCTR-GXSJLCMTSA-N 1 3 180.295 1.435 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C)CCN1 575513262 352477292 /nfs/dbraw/zinc/47/72/92/352477292.db2.gz IZQTZIOSCJTXEL-DBIOUOCHSA-N 1 3 182.311 1.515 10 0 ADAEHO CC1(N2CC[C@H]2C[NH3+])CCCC1 575513454 352477766 /nfs/dbraw/zinc/47/77/66/352477766.db2.gz CGKBAZVVCNNTPH-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC1(N2CC[C@@H]2C[NH3+])CCCC1 575513453 352477943 /nfs/dbraw/zinc/47/79/43/352477943.db2.gz CGKBAZVVCNNTPH-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO [NH3+]C1CC(N2CCC(CF)CC2)C1 575513967 352481279 /nfs/dbraw/zinc/48/12/79/352481279.db2.gz DDXAHLRVCJNIQG-UHFFFAOYSA-N 1 3 186.274 1.158 10 0 ADAEHO C[C@@H]1CCC[C@H]1N1CC[C@@H]1C[NH3+] 575514303 352483483 /nfs/dbraw/zinc/48/34/83/352483483.db2.gz IYCGJHIQDCDKOX-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[C@H]1N1CC[C@H]1C[NH3+] 575514302 352483541 /nfs/dbraw/zinc/48/35/41/352483541.db2.gz IYCGJHIQDCDKOX-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[C@@H]1N1CC[C@@H]1C[NH3+] 575514301 352483693 /nfs/dbraw/zinc/48/36/93/352483693.db2.gz IYCGJHIQDCDKOX-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[C@@H]1N1CC[C@H]1C[NH3+] 575514304 352483721 /nfs/dbraw/zinc/48/37/21/352483721.db2.gz IYCGJHIQDCDKOX-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCCC[C@H]1N1CC[C@H]1C[NH3+] 575514915 352485866 /nfs/dbraw/zinc/48/58/66/352485866.db2.gz MVXJIOYOFAYNLW-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[C@H]1N1CC[C@@H]1C[NH3+] 575514907 352485964 /nfs/dbraw/zinc/48/59/64/352485964.db2.gz MVXJIOYOFAYNLW-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1N1CC[C@@H]1C[NH3+] 575514913 352486011 /nfs/dbraw/zinc/48/60/11/352486011.db2.gz MVXJIOYOFAYNLW-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1N1CC[C@H]1C[NH3+] 575514918 352486082 /nfs/dbraw/zinc/48/60/82/352486082.db2.gz MVXJIOYOFAYNLW-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(N2CC[C@H]2C[NH3+])CCCCC1 575515125 352486512 /nfs/dbraw/zinc/48/65/12/352486512.db2.gz ONYVLFQWXCWHOQ-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CC1(N2CC[C@@H]2C[NH3+])CCCCC1 575515126 352486861 /nfs/dbraw/zinc/48/68/61/352486861.db2.gz ONYVLFQWXCWHOQ-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H](N)[C@@H](C)[NH+]1CCC(F)CC1 575515707 352490177 /nfs/dbraw/zinc/49/01/77/352490177.db2.gz STQJXPASDXENIL-JGVFFNPUSA-N 1 3 174.263 1.156 10 0 ADAEHO C[C@H](N)[C@H](C)[NH+]1CCC(F)CC1 575515709 352490514 /nfs/dbraw/zinc/49/05/14/352490514.db2.gz STQJXPASDXENIL-YUMQZZPRSA-N 1 3 174.263 1.156 10 0 ADAEHO C[C@@H](N)[C@@H](C)[NH+]1CCC(F)CC1 575515706 352490447 /nfs/dbraw/zinc/49/04/47/352490447.db2.gz STQJXPASDXENIL-HTQZYQBOSA-N 1 3 174.263 1.156 10 0 ADAEHO C[C@@H]([C@@H](C)N)[NH+]1CCC(F)CC1 575515708 352490735 /nfs/dbraw/zinc/49/07/35/352490735.db2.gz STQJXPASDXENIL-SFYZADRCSA-N 1 3 174.263 1.156 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@@H]2C[NH3+])CC[C@H]1C 575516207 352492581 /nfs/dbraw/zinc/49/25/81/352492581.db2.gz YTQAAJWWJDZFPG-YTWAJWBKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@@H]2C[NH3+])[C@@H]1C 575516205 352492845 /nfs/dbraw/zinc/49/28/45/352492845.db2.gz YTQAAJWWJDZFPG-DBIOUOCHSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@@H](N2CC[C@H]2C[NH3+])CC[C@H]1C 575516206 352492901 /nfs/dbraw/zinc/49/29/01/352492901.db2.gz YTQAAJWWJDZFPG-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO N[C@@H]1CCC[C@@H]1[NH+]1CCC(F)CC1 575516264 352493463 /nfs/dbraw/zinc/49/34/63/352493463.db2.gz YZDGYCLNOSKDLG-ZJUUUORDSA-N 1 3 186.274 1.300 10 0 ADAEHO C[C@@H]1CC[C@H](N2CC[C@H]2C[NH3+])[C@@H]1C 575516290 352493404 /nfs/dbraw/zinc/49/34/04/352493404.db2.gz YTQAAJWWJDZFPG-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO N[C@H]1CCC[C@@H]1[NH+]1CCC(F)CC1 575516262 352493436 /nfs/dbraw/zinc/49/34/36/352493436.db2.gz YZDGYCLNOSKDLG-UWVGGRQHSA-N 1 3 186.274 1.300 10 0 ADAEHO N[C@H]1CCC[C@H]1[NH+]1CCC(F)CC1 575516263 352493547 /nfs/dbraw/zinc/49/35/47/352493547.db2.gz YZDGYCLNOSKDLG-VHSXEESVSA-N 1 3 186.274 1.300 10 0 ADAEHO N[C@@H]1CCC[C@H]1[NH+]1CCC(F)CC1 575516261 352493656 /nfs/dbraw/zinc/49/36/56/352493656.db2.gz YZDGYCLNOSKDLG-NXEZZACHSA-N 1 3 186.274 1.300 10 0 ADAEHO CC1(C)CN(CC2=CC[C@H]([NH3+])C2)C1 575516718 352494186 /nfs/dbraw/zinc/49/41/86/352494186.db2.gz DAWGYOMTUKXYTF-JTQLQIEISA-N 1 3 180.295 1.376 10 0 ADAEHO CC1(C)CN(CC2=CC[C@@H]([NH3+])C2)C1 575516719 352494347 /nfs/dbraw/zinc/49/43/47/352494347.db2.gz DAWGYOMTUKXYTF-SNVBAGLBSA-N 1 3 180.295 1.376 10 0 ADAEHO C[NH+](C)CC1(N)CC2(CCC2)C1 575517965 352499830 /nfs/dbraw/zinc/49/98/30/352499830.db2.gz XTONRSOOBOOQHG-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](CN2CC[C@H](F)C2)C1 575518374 352502145 /nfs/dbraw/zinc/50/21/45/352502145.db2.gz USKLXICGSYVCMN-KXUCPTDWSA-N 1 3 186.274 1.158 10 0 ADAEHO CC(C)(C[NH3+])N1CCCC2(CC2)C1 575520615 352513002 /nfs/dbraw/zinc/51/30/02/352513002.db2.gz DEVLRXNPYXVRDQ-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO [NH3+][C@@H]1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1 575521846 352519190 /nfs/dbraw/zinc/51/91/90/352519190.db2.gz OGNUARQFZGHKCN-LMLFDSFASA-N 1 3 180.295 1.066 10 0 ADAEHO [NH3+][C@H]1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1 575521848 352519293 /nfs/dbraw/zinc/51/92/93/352519293.db2.gz OGNUARQFZGHKCN-VLEAKVRGSA-N 1 3 180.295 1.066 10 0 ADAEHO C1C[N@@H+](CC2CNC2)CC2(C1)CC2 575522435 352521772 /nfs/dbraw/zinc/52/17/72/352521772.db2.gz DYLQVDFINUYJDV-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO C1C[N@H+](CC2CNC2)CC2(C1)CC2 575522435 352521776 /nfs/dbraw/zinc/52/17/76/352521776.db2.gz DYLQVDFINUYJDV-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO CN(C)Cc1cc2c(s1)CC[NH2+]C2 575523085 352523931 /nfs/dbraw/zinc/52/39/31/352523931.db2.gz FZOPVEFYXBRAFA-UHFFFAOYSA-N 1 3 196.319 1.455 10 0 ADAEHO C[NH2+]Cc1cc2c(s1)CCNC2 575523736 352526921 /nfs/dbraw/zinc/52/69/21/352526921.db2.gz NMDBRXPZQPWCPV-UHFFFAOYSA-N 1 3 182.292 1.113 10 0 ADAEHO [NH3+]C1CC(N2CCCC3(CC3)C2)C1 575523864 352527500 /nfs/dbraw/zinc/52/75/00/352527500.db2.gz YKORRAQRLPAIBZ-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO CC(C)([NH3+])CN1C[C@H]2CC[C@@H]2C1 575524199 352528742 /nfs/dbraw/zinc/52/87/42/352528742.db2.gz BJGDMWLYAROBSK-RKDXNWHRSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)([NH3+])CN1C[C@H]2CC[C@H]2C1 575524196 352529117 /nfs/dbraw/zinc/52/91/17/352529117.db2.gz BJGDMWLYAROBSK-DTORHVGOSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)([NH3+])CN1C[C@@H]2CC[C@H]2C1 575524198 352529191 /nfs/dbraw/zinc/52/91/91/352529191.db2.gz BJGDMWLYAROBSK-IUCAKERBSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)=C[C@H]([NH3+])[C@@H]1CCN(C)C1 575524331 352529436 /nfs/dbraw/zinc/52/94/36/352529436.db2.gz SWPFZUMWLAJADA-ZJUUUORDSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@H](N)[C@@H]1CC[N@@H+](C)C1 575524331 352529438 /nfs/dbraw/zinc/52/94/38/352529438.db2.gz SWPFZUMWLAJADA-ZJUUUORDSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@H](N)[C@@H]1CC[N@H+](C)C1 575524331 352529442 /nfs/dbraw/zinc/52/94/42/352529442.db2.gz SWPFZUMWLAJADA-ZJUUUORDSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@H]([NH3+])[C@H]1CCN(C)C1 575524327 352529658 /nfs/dbraw/zinc/52/96/58/352529658.db2.gz SWPFZUMWLAJADA-UWVGGRQHSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@H](N)[C@H]1CC[N@@H+](C)C1 575524327 352529660 /nfs/dbraw/zinc/52/96/60/352529660.db2.gz SWPFZUMWLAJADA-UWVGGRQHSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@H](N)[C@H]1CC[N@H+](C)C1 575524327 352529662 /nfs/dbraw/zinc/52/96/62/352529662.db2.gz SWPFZUMWLAJADA-UWVGGRQHSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@@H]([NH3+])[C@H]1CCN(C)C1 575524329 352529772 /nfs/dbraw/zinc/52/97/72/352529772.db2.gz SWPFZUMWLAJADA-VHSXEESVSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@@H](N)[C@H]1CC[N@@H+](C)C1 575524329 352529777 /nfs/dbraw/zinc/52/97/77/352529777.db2.gz SWPFZUMWLAJADA-VHSXEESVSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@@H](N)[C@H]1CC[N@H+](C)C1 575524329 352529779 /nfs/dbraw/zinc/52/97/79/352529779.db2.gz SWPFZUMWLAJADA-VHSXEESVSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@@H]([NH3+])[C@@H]1CCN(C)C1 575524325 352530000 /nfs/dbraw/zinc/53/00/00/352530000.db2.gz SWPFZUMWLAJADA-NXEZZACHSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@@H](N)[C@@H]1CC[N@@H+](C)C1 575524325 352530003 /nfs/dbraw/zinc/53/00/03/352530003.db2.gz SWPFZUMWLAJADA-NXEZZACHSA-N 1 3 168.284 1.232 10 0 ADAEHO CC(C)=C[C@@H](N)[C@@H]1CC[N@H+](C)C1 575524325 352530006 /nfs/dbraw/zinc/53/00/06/352530006.db2.gz SWPFZUMWLAJADA-NXEZZACHSA-N 1 3 168.284 1.232 10 0 ADAEHO CC[C@H](C)[NH+]1C[C@@H](C)C(N)[C@H](C)C1 575524517 352530260 /nfs/dbraw/zinc/53/02/60/352530260.db2.gz CWMYKBVYJLYIHG-BBBLOLIVSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@@H](C)[N@@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575524520 352530491 /nfs/dbraw/zinc/53/04/91/352530491.db2.gz CWMYKBVYJLYIHG-YTWAJWBKSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@@H](C)[N@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575524520 352530494 /nfs/dbraw/zinc/53/04/94/352530494.db2.gz CWMYKBVYJLYIHG-YTWAJWBKSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H](C)[NH+]1C[C@H](C)C(N)[C@@H](C)C1 575524519 352530559 /nfs/dbraw/zinc/53/05/59/352530559.db2.gz CWMYKBVYJLYIHG-GUBZILKMSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575524521 352530594 /nfs/dbraw/zinc/53/05/94/352530594.db2.gz CWMYKBVYJLYIHG-ZRUFSTJUSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575524521 352530596 /nfs/dbraw/zinc/53/05/96/352530596.db2.gz CWMYKBVYJLYIHG-ZRUFSTJUSA-N 1 3 184.327 1.700 10 0 ADAEHO CCC[NH+]1C[C@@H](C)C(N)[C@H](C)C1 575524799 352531596 /nfs/dbraw/zinc/53/15/96/352531596.db2.gz FTLRKQXYVIHHNY-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CCCN1C[C@@H](C)C([NH3+])[C@H](C)C1 575524799 352531597 /nfs/dbraw/zinc/53/15/97/352531597.db2.gz FTLRKQXYVIHHNY-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[NH+]1C[C@H](C)C(N)[C@@H](C)C1 575524796 352531838 /nfs/dbraw/zinc/53/18/38/352531838.db2.gz FTLRKQXYVIHHNY-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CCCN1C[C@H](C)C([NH3+])[C@@H](C)C1 575524796 352531842 /nfs/dbraw/zinc/53/18/42/352531842.db2.gz FTLRKQXYVIHHNY-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[N@@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575524798 352532270 /nfs/dbraw/zinc/53/22/70/352532270.db2.gz FTLRKQXYVIHHNY-MYJAWHEDSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[N@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575524798 352532273 /nfs/dbraw/zinc/53/22/73/352532273.db2.gz FTLRKQXYVIHHNY-MYJAWHEDSA-N 1 3 170.300 1.312 10 0 ADAEHO CCCN1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575524798 352532275 /nfs/dbraw/zinc/53/22/75/352532275.db2.gz FTLRKQXYVIHHNY-MYJAWHEDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[NH+]1C[C@@H](C)C(N)[C@H](C)C1 575525345 352534263 /nfs/dbraw/zinc/53/42/63/352534263.db2.gz IMSCLWWUHGGNAJ-RKDXNWHRSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)N1C[C@@H](C)C([NH3+])[C@H](C)C1 575525345 352534264 /nfs/dbraw/zinc/53/42/64/352534264.db2.gz IMSCLWWUHGGNAJ-RKDXNWHRSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[NH+]1C[C@H](C)C(N)[C@@H](C)C1 575525341 352534756 /nfs/dbraw/zinc/53/47/56/352534756.db2.gz IMSCLWWUHGGNAJ-IUCAKERBSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)N1C[C@H](C)C([NH3+])[C@@H](C)C1 575525341 352534759 /nfs/dbraw/zinc/53/47/59/352534759.db2.gz IMSCLWWUHGGNAJ-IUCAKERBSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575525343 352534908 /nfs/dbraw/zinc/53/49/08/352534908.db2.gz IMSCLWWUHGGNAJ-MYJAWHEDSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)[N@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575525343 352534911 /nfs/dbraw/zinc/53/49/11/352534911.db2.gz IMSCLWWUHGGNAJ-MYJAWHEDSA-N 1 3 170.300 1.310 10 0 ADAEHO CC(C)N1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575525343 352534914 /nfs/dbraw/zinc/53/49/14/352534914.db2.gz IMSCLWWUHGGNAJ-MYJAWHEDSA-N 1 3 170.300 1.310 10 0 ADAEHO CCN1C[C@H](C)C([NH2+]C)[C@@H](C)C1 575525527 352535231 /nfs/dbraw/zinc/53/52/31/352535231.db2.gz KIWFWFAJIQVYJI-IUCAKERBSA-N 1 3 170.300 1.182 10 0 ADAEHO CCN1C[C@H](C)[C@@H]([NH2+]C)[C@H](C)C1 575525528 352535292 /nfs/dbraw/zinc/53/52/92/352535292.db2.gz KIWFWFAJIQVYJI-MYJAWHEDSA-N 1 3 170.300 1.182 10 0 ADAEHO CCN1C[C@@H](C)C([NH2+]C)[C@H](C)C1 575525529 352535593 /nfs/dbraw/zinc/53/55/93/352535593.db2.gz KIWFWFAJIQVYJI-RKDXNWHRSA-N 1 3 170.300 1.182 10 0 ADAEHO NC1CC([NH2+]C2CC3(CCC3)C2)C1 575525711 352536014 /nfs/dbraw/zinc/53/60/14/352536014.db2.gz JLTGPZVBNNASOX-UHFFFAOYSA-N 1 3 180.295 1.398 10 0 ADAEHO [NH3+]C1CC(NC2CC3(CCC3)C2)C1 575525711 352536016 /nfs/dbraw/zinc/53/60/16/352536016.db2.gz JLTGPZVBNNASOX-UHFFFAOYSA-N 1 3 180.295 1.398 10 0 ADAEHO C[C@H]1C[NH+](CC2CC2)C[C@H](C)C1N 575525555 352536031 /nfs/dbraw/zinc/53/60/31/352536031.db2.gz LDAWDQXRIFVNJH-IUCAKERBSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1CN(CC2CC2)C[C@H](C)C1[NH3+] 575525555 352536033 /nfs/dbraw/zinc/53/60/33/352536033.db2.gz LDAWDQXRIFVNJH-IUCAKERBSA-N 1 3 182.311 1.312 10 0 ADAEHO [NH3+][C@H]1CCN(C2(C3CCC3)CC2)C1 575525666 352536221 /nfs/dbraw/zinc/53/62/21/352536221.db2.gz ITCDGIVTWRFBGX-JTQLQIEISA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+][C@@H]1CCN(C2(C3CCC3)CC2)C1 575525668 352536394 /nfs/dbraw/zinc/53/63/94/352536394.db2.gz ITCDGIVTWRFBGX-SNVBAGLBSA-N 1 3 180.295 1.352 10 0 ADAEHO C[C@@H]1C[NH+](CC2CC2)C[C@@H](C)C1N 575525557 352536408 /nfs/dbraw/zinc/53/64/08/352536408.db2.gz LDAWDQXRIFVNJH-RKDXNWHRSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@@H]1CN(CC2CC2)C[C@@H](C)C1[NH3+] 575525557 352536414 /nfs/dbraw/zinc/53/64/14/352536414.db2.gz LDAWDQXRIFVNJH-RKDXNWHRSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1C[N@@H+](CC2CC2)C[C@@H](C)[C@@H]1N 575525556 352536452 /nfs/dbraw/zinc/53/64/52/352536452.db2.gz LDAWDQXRIFVNJH-JZYVYDRUSA-N 1 3 182.311 1.312 10 0 ADAEHO C[C@H]1CN(CC2CC2)C[C@@H](C)[C@@H]1[NH3+] 575525556 352536456 /nfs/dbraw/zinc/53/64/56/352536456.db2.gz LDAWDQXRIFVNJH-JZYVYDRUSA-N 1 3 182.311 1.312 10 0 ADAEHO C1CC([N@@H+]2C[C@H]3CC[C@H]3C2)CCN1 575526040 352537833 /nfs/dbraw/zinc/53/78/33/352537833.db2.gz PDZYCUWBRSJZMA-AOOOYVTPSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([N@H+]2C[C@H]3CC[C@H]3C2)CCN1 575526040 352537835 /nfs/dbraw/zinc/53/78/35/352537835.db2.gz PDZYCUWBRSJZMA-AOOOYVTPSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([NH+]2C[C@H]3CC[C@@H]3C2)CCN1 575526041 352538053 /nfs/dbraw/zinc/53/80/53/352538053.db2.gz PDZYCUWBRSJZMA-NXEZZACHSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([NH+]2C[C@@H]3CC[C@H]3C2)CCN1 575526042 352538151 /nfs/dbraw/zinc/53/81/51/352538151.db2.gz PDZYCUWBRSJZMA-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO N[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@H]3C2)C1 575526061 352538382 /nfs/dbraw/zinc/53/83/82/352538382.db2.gz POSOOMOEUHULOM-YTWAJWBKSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@H]3C2)C1 575526061 352538386 /nfs/dbraw/zinc/53/83/86/352538386.db2.gz POSOOMOEUHULOM-YTWAJWBKSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[C@@H]3C2)C1 575526058 352538549 /nfs/dbraw/zinc/53/85/49/352538549.db2.gz POSOOMOEUHULOM-DBIOUOCHSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@H]3C2)C1 575526059 352538979 /nfs/dbraw/zinc/53/89/79/352538979.db2.gz POSOOMOEUHULOM-LMLFDSFASA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[C@H]3C2)C1 575526059 352538982 /nfs/dbraw/zinc/53/89/82/352538982.db2.gz POSOOMOEUHULOM-LMLFDSFASA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CC[C@H]([NH+]2C[C@@H]3CC[C@H]3C2)C1 575526060 352538988 /nfs/dbraw/zinc/53/89/88/352538988.db2.gz POSOOMOEUHULOM-MMWGEVLESA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1C[C@H]2CC[C@H]2C1 575526278 352539328 /nfs/dbraw/zinc/53/93/28/352539328.db2.gz SCKDWHBMIBNTDL-MMWGEVLESA-N 1 3 180.295 1.066 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1C[C@H]2CC[C@H]2C1 575526278 352539330 /nfs/dbraw/zinc/53/93/30/352539330.db2.gz SCKDWHBMIBNTDL-MMWGEVLESA-N 1 3 180.295 1.066 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575526338 352539412 /nfs/dbraw/zinc/53/94/12/352539412.db2.gz TVLQHJFYHPRHMG-URLYPYJESA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)C[N@H+]1C[C@H](C)[C@@H](N)[C@H](C)C1 575526338 352539413 /nfs/dbraw/zinc/53/94/13/352539413.db2.gz TVLQHJFYHPRHMG-URLYPYJESA-N 1 3 184.327 1.558 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[NH+]1C[C@H]2CC[C@@H]2C1 575526281 352539482 /nfs/dbraw/zinc/53/94/82/352539482.db2.gz SCKDWHBMIBNTDL-ZDCRXTMVSA-N 1 3 180.295 1.066 10 0 ADAEHO CC(C)C[NH+]1C[C@H](C)C(N)[C@@H](C)C1 575526339 352539530 /nfs/dbraw/zinc/53/95/30/352539530.db2.gz TVLQHJFYHPRHMG-UWVGGRQHSA-N 1 3 184.327 1.558 10 0 ADAEHO CC(C)C[NH+]1C[C@@H](C)C(N)[C@H](C)C1 575526337 352539543 /nfs/dbraw/zinc/53/95/43/352539543.db2.gz TVLQHJFYHPRHMG-NXEZZACHSA-N 1 3 184.327 1.558 10 0 ADAEHO NC[C@@H]1CC[C@H]1[N@@H+]1C[C@H]2CC[C@H]2C1 575526280 352539671 /nfs/dbraw/zinc/53/96/71/352539671.db2.gz SCKDWHBMIBNTDL-UKKRHICBSA-N 1 3 180.295 1.066 10 0 ADAEHO [NH3+]C1(CN2C[C@H]3CC[C@H]3C2)CCC1 575526530 352540046 /nfs/dbraw/zinc/54/00/46/352540046.db2.gz UZRDGCPHLGZSSY-AOOOYVTPSA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+]C1(CN2C[C@@H]3CC[C@H]3C2)CCC1 575526532 352540121 /nfs/dbraw/zinc/54/01/21/352540121.db2.gz UZRDGCPHLGZSSY-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO C/C=C/CN1C[C@@H](C)C([NH3+])[C@H](C)C1 575526608 352540347 /nfs/dbraw/zinc/54/03/47/352540347.db2.gz WNKPKDQQSCXEJG-NUNSBDKSSA-N 1 3 182.311 1.478 10 0 ADAEHO [NH3+]C1(CN2C[C@H]3CC[C@@H]3C2)CCC1 575526531 352540424 /nfs/dbraw/zinc/54/04/24/352540424.db2.gz UZRDGCPHLGZSSY-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO C/C=C/CN1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575526609 352540454 /nfs/dbraw/zinc/54/04/54/352540454.db2.gz WNKPKDQQSCXEJG-YJVBGPIDSA-N 1 3 182.311 1.478 10 0 ADAEHO C/C=C/CN1C[C@H](C)C([NH3+])[C@@H](C)C1 575526607 352540466 /nfs/dbraw/zinc/54/04/66/352540466.db2.gz WNKPKDQQSCXEJG-AWAZDUCLSA-N 1 3 182.311 1.478 10 0 ADAEHO C[NH2+]C1[C@@H](C)CN(C(C)C)C[C@@H]1C 575526668 352540899 /nfs/dbraw/zinc/54/08/99/352540899.db2.gz XSYYKBLKOVRVHE-UWVGGRQHSA-N 1 3 184.327 1.571 10 0 ADAEHO C[NH2+][C@@H]1[C@@H](C)CN(C(C)C)C[C@H]1C 575526666 352541061 /nfs/dbraw/zinc/54/10/61/352541061.db2.gz XSYYKBLKOVRVHE-URLYPYJESA-N 1 3 184.327 1.571 10 0 ADAEHO C[NH2+]C1[C@H](C)CN(C(C)C)C[C@H]1C 575526663 352541122 /nfs/dbraw/zinc/54/11/22/352541122.db2.gz XSYYKBLKOVRVHE-NXEZZACHSA-N 1 3 184.327 1.571 10 0 ADAEHO [NH3+]C1CCN(C2(C3CC3)CC2)CC1 575526819 352541549 /nfs/dbraw/zinc/54/15/49/352541549.db2.gz YFYGLMSITYRPPJ-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1CC[NH+](C2(C3CC3)CC2)CC1 575526819 352541556 /nfs/dbraw/zinc/54/15/56/352541556.db2.gz YFYGLMSITYRPPJ-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO C1CCN(C[C@]23C[NH2+]C[C@H]2C3)CC1 575528175 352546325 /nfs/dbraw/zinc/54/63/25/352546325.db2.gz HJCYXRBTHPVYQX-MNOVXSKESA-N 1 3 180.295 1.082 10 0 ADAEHO C1CCN(C[C@@]23C[NH2+]C[C@@H]2C3)CC1 575528184 352546439 /nfs/dbraw/zinc/54/64/39/352546439.db2.gz HJCYXRBTHPVYQX-WDEREUQCSA-N 1 3 180.295 1.082 10 0 ADAEHO C[C@@H]1CCCN1C[C@]12C[NH2+]C[C@H]1C2 575528536 352548215 /nfs/dbraw/zinc/54/82/15/352548215.db2.gz KOLSZOBOKXDDOR-MXWKQRLJSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1CCCN1C[C@@]12C[NH2+]C[C@@H]1C2 575528537 352548351 /nfs/dbraw/zinc/54/83/51/352548351.db2.gz KOLSZOBOKXDDOR-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@](N)(C[NH3+])CC1CCCC1 575533756 352572211 /nfs/dbraw/zinc/57/22/11/352572211.db2.gz SXZAJIZEPGTSRR-VIFPVBQESA-N 1 3 156.273 1.243 10 0 ADAEHO C[C@](N)(C[NH3+])CC1CCCC1 575533755 352572282 /nfs/dbraw/zinc/57/22/82/352572282.db2.gz SXZAJIZEPGTSRR-SECBINFHSA-N 1 3 156.273 1.243 10 0 ADAEHO CC1CN(C[C@]2(C)CCC[C@H]2[NH3+])C1 575535134 352577851 /nfs/dbraw/zinc/57/78/51/352577851.db2.gz VSTYZLFFIDTNJT-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@]2(C)CCC[C@@H]2[NH3+])C1 575535136 352577872 /nfs/dbraw/zinc/57/78/72/352577872.db2.gz VSTYZLFFIDTNJT-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@H]2CCCC[C@H]2[NH3+])C1 575535158 352577929 /nfs/dbraw/zinc/57/79/29/352577929.db2.gz WEFBYVOMGKBLKL-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@@H]2CCCC[C@H]2[NH3+])C1 575535164 352577940 /nfs/dbraw/zinc/57/79/40/352577940.db2.gz WEFBYVOMGKBLKL-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@@H]2CCCC[C@@H]2[NH3+])C1 575535162 352577952 /nfs/dbraw/zinc/57/79/52/352577952.db2.gz WEFBYVOMGKBLKL-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@@]2(C)CCC[C@@H]2[NH3+])C1 575535138 352577972 /nfs/dbraw/zinc/57/79/72/352577972.db2.gz VSTYZLFFIDTNJT-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@@]2(C)CCC[C@H]2[NH3+])C1 575535132 352578037 /nfs/dbraw/zinc/57/80/37/352578037.db2.gz VSTYZLFFIDTNJT-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1CN(C[C@H]2CCCC[C@@H]2[NH3+])C1 575535160 352578120 /nfs/dbraw/zinc/57/81/20/352578120.db2.gz WEFBYVOMGKBLKL-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)N1CCC[C@@](C)(C[NH3+])C1 575536982 352587649 /nfs/dbraw/zinc/58/76/49/352587649.db2.gz BRFNJSKCSFTHRO-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)N1CCC[C@](C)(C[NH3+])C1 575536985 352587787 /nfs/dbraw/zinc/58/77/87/352587787.db2.gz BRFNJSKCSFTHRO-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575537217 352588765 /nfs/dbraw/zinc/58/87/65/352588765.db2.gz CMEPGKBBBBGQIS-RCWTZXSCSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575537217 352588767 /nfs/dbraw/zinc/58/87/67/352588767.db2.gz CMEPGKBBBBGQIS-RCWTZXSCSA-N 1 3 180.295 1.208 10 0 ADAEHO NC1(C[N@@H+]2C[C@@H]3CCC[C@H]32)CCC1 575537238 352588859 /nfs/dbraw/zinc/58/88/59/352588859.db2.gz CWRWJUHWPCVGFT-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@@H+]2C[C@H]3CCC[C@@H]32)CCC1 575537239 352588885 /nfs/dbraw/zinc/58/88/85/352588885.db2.gz CWRWJUHWPCVGFT-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@@H+]2C[C@@H]3CCC[C@@H]32)CCC1 575537237 352588921 /nfs/dbraw/zinc/58/89/21/352588921.db2.gz CWRWJUHWPCVGFT-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2C[C@@H]3CCC[C@@H]32)CCC1 575537237 352588923 /nfs/dbraw/zinc/58/89/23/352588923.db2.gz CWRWJUHWPCVGFT-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575537219 352588975 /nfs/dbraw/zinc/58/89/75/352588975.db2.gz CMEPGKBBBBGQIS-XWLWVQCSSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575537219 352588976 /nfs/dbraw/zinc/58/89/76/352588976.db2.gz CMEPGKBBBBGQIS-XWLWVQCSSA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575538279 352594130 /nfs/dbraw/zinc/59/41/30/352594130.db2.gz MBFDLQMHQRZFEZ-ZNSHCXBVSA-N 1 3 180.295 1.351 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575538433 352594696 /nfs/dbraw/zinc/59/46/96/352594696.db2.gz MKENEVHMMCECME-ZRUFSTJUSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575538433 352594699 /nfs/dbraw/zinc/59/46/99/352594699.db2.gz MKENEVHMMCECME-ZRUFSTJUSA-N 1 3 180.295 1.221 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H]2C[C@H]21 575538433 352594702 /nfs/dbraw/zinc/59/47/02/352594702.db2.gz MKENEVHMMCECME-ZRUFSTJUSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575538431 352594990 /nfs/dbraw/zinc/59/49/90/352594990.db2.gz MKENEVHMMCECME-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575538431 352594994 /nfs/dbraw/zinc/59/49/94/352594994.db2.gz MKENEVHMMCECME-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H]2C[C@@H]21 575538431 352594996 /nfs/dbraw/zinc/59/49/96/352594996.db2.gz MKENEVHMMCECME-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575538797 352596053 /nfs/dbraw/zinc/59/60/53/352596053.db2.gz QDJJZHXNFHKRKY-ZRUFSTJUSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575538797 352596054 /nfs/dbraw/zinc/59/60/54/352596054.db2.gz QDJJZHXNFHKRKY-ZRUFSTJUSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575538796 352596097 /nfs/dbraw/zinc/59/60/97/352596097.db2.gz QDJJZHXNFHKRKY-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575538796 352596099 /nfs/dbraw/zinc/59/60/99/352596099.db2.gz QDJJZHXNFHKRKY-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@@H]2CCC[C@H]21 575538957 352596760 /nfs/dbraw/zinc/59/67/60/352596760.db2.gz ROMRXVYDKIYXAS-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@@H]2CCC[C@H]21 575538957 352596764 /nfs/dbraw/zinc/59/67/64/352596764.db2.gz ROMRXVYDKIYXAS-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@H]2CCC[C@@H]21 575538956 352596934 /nfs/dbraw/zinc/59/69/34/352596934.db2.gz ROMRXVYDKIYXAS-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@H]2CCC[C@@H]21 575538956 352596937 /nfs/dbraw/zinc/59/69/37/352596937.db2.gz ROMRXVYDKIYXAS-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@H]2CCC[C@H]21 575538960 352597043 /nfs/dbraw/zinc/59/70/43/352597043.db2.gz ROMRXVYDKIYXAS-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@H]2CCC[C@H]21 575538960 352597045 /nfs/dbraw/zinc/59/70/45/352597045.db2.gz ROMRXVYDKIYXAS-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@@H]2CCC[C@@H]21 575538959 352597093 /nfs/dbraw/zinc/59/70/93/352597093.db2.gz ROMRXVYDKIYXAS-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@@H]2CCC[C@@H]21 575538959 352597096 /nfs/dbraw/zinc/59/70/96/352597096.db2.gz ROMRXVYDKIYXAS-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H]2CCC[C@@H]21 575539098 352597615 /nfs/dbraw/zinc/59/76/15/352597615.db2.gz SKMDEXIAGJIDMH-NAKRPEOUSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1C[C@@H]2CCC[C@@H]21 575539098 352597620 /nfs/dbraw/zinc/59/76/20/352597620.db2.gz SKMDEXIAGJIDMH-NAKRPEOUSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1C[C@H]2CCC[C@H]21 575539100 352597648 /nfs/dbraw/zinc/59/76/48/352597648.db2.gz SKMDEXIAGJIDMH-ZDCRXTMVSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1C[C@H]2CCC[C@H]21 575539100 352597651 /nfs/dbraw/zinc/59/76/51/352597651.db2.gz SKMDEXIAGJIDMH-ZDCRXTMVSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1C[C@H]2CCC[C@@H]21 575539099 352597700 /nfs/dbraw/zinc/59/77/00/352597700.db2.gz SKMDEXIAGJIDMH-VLEAKVRGSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1C[C@H]2CCC[C@@H]21 575539099 352597704 /nfs/dbraw/zinc/59/77/04/352597704.db2.gz SKMDEXIAGJIDMH-VLEAKVRGSA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H]2CCC[C@H]21 575539097 352597717 /nfs/dbraw/zinc/59/77/17/352597717.db2.gz SKMDEXIAGJIDMH-MMWGEVLESA-N 1 3 180.295 1.208 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1C[C@@H]2CCC[C@H]21 575539097 352597723 /nfs/dbraw/zinc/59/77/23/352597723.db2.gz SKMDEXIAGJIDMH-MMWGEVLESA-N 1 3 180.295 1.208 10 0 ADAEHO CCCN1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 575539368 352599157 /nfs/dbraw/zinc/59/91/57/352599157.db2.gz VBLVRGCIHCWCFJ-GHMZBOCLSA-N 1 3 182.311 1.328 10 0 ADAEHO CCCN1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 575539373 352599319 /nfs/dbraw/zinc/59/93/19/352599319.db2.gz VBLVRGCIHCWCFJ-QWRGUYRKSA-N 1 3 182.311 1.328 10 0 ADAEHO C1C[NH2+]C[C@@H](CN2CC[C@H]3C[C@H]32)C1 575540914 352605657 /nfs/dbraw/zinc/60/56/57/352605657.db2.gz BVUSRJGOVLBXLE-GARJFASQSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@@H](C[N@@H+]2CC[C@H]3C[C@H]32)C1 575540914 352605662 /nfs/dbraw/zinc/60/56/62/352605662.db2.gz BVUSRJGOVLBXLE-GARJFASQSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@@H](C[N@H+]2CC[C@H]3C[C@H]32)C1 575540914 352605665 /nfs/dbraw/zinc/60/56/65/352605665.db2.gz BVUSRJGOVLBXLE-GARJFASQSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[NH2+]C[C@@H](CN2CC[C@@H]3C[C@@H]32)C1 575540910 352605978 /nfs/dbraw/zinc/60/59/78/352605978.db2.gz BVUSRJGOVLBXLE-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)C1 575540910 352605981 /nfs/dbraw/zinc/60/59/81/352605981.db2.gz BVUSRJGOVLBXLE-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C1CNC[C@@H](C[N@H+]2CC[C@@H]3C[C@@H]32)C1 575540910 352605984 /nfs/dbraw/zinc/60/59/84/352605984.db2.gz BVUSRJGOVLBXLE-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@@H]1CC[C@H]1CN 575541098 352606285 /nfs/dbraw/zinc/60/62/85/352606285.db2.gz DWZXHQWRUYMSQX-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[N@H+]1[C@@H]1CC[C@H]1CN 575541098 352606288 /nfs/dbraw/zinc/60/62/88/352606288.db2.gz DWZXHQWRUYMSQX-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CCN1[C@@H]1CC[C@H]1C[NH3+] 575541098 352606290 /nfs/dbraw/zinc/60/62/90/352606290.db2.gz DWZXHQWRUYMSQX-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@H]1CC[C@@H]1CN 575541097 352606328 /nfs/dbraw/zinc/60/63/28/352606328.db2.gz DWZXHQWRUYMSQX-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[N@H+]1[C@H]1CC[C@@H]1CN 575541097 352606329 /nfs/dbraw/zinc/60/63/29/352606329.db2.gz DWZXHQWRUYMSQX-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CCN1[C@H]1CC[C@@H]1C[NH3+] 575541097 352606333 /nfs/dbraw/zinc/60/63/33/352606333.db2.gz DWZXHQWRUYMSQX-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575541135 352606550 /nfs/dbraw/zinc/60/65/50/352606550.db2.gz AYUUYLYBOQGDDZ-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575541135 352606555 /nfs/dbraw/zinc/60/65/55/352606555.db2.gz AYUUYLYBOQGDDZ-ZNSHCXBVSA-N 1 3 180.295 1.079 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@@H]1CC[C@@H]1CN 575541101 352606576 /nfs/dbraw/zinc/60/65/76/352606576.db2.gz DWZXHQWRUYMSQX-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[N@H+]1[C@@H]1CC[C@@H]1CN 575541101 352606578 /nfs/dbraw/zinc/60/65/78/352606578.db2.gz DWZXHQWRUYMSQX-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CCN1[C@@H]1CC[C@@H]1C[NH3+] 575541101 352606583 /nfs/dbraw/zinc/60/65/83/352606583.db2.gz DWZXHQWRUYMSQX-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575541134 352606614 /nfs/dbraw/zinc/60/66/14/352606614.db2.gz AYUUYLYBOQGDDZ-VPOLOUISSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575541134 352606617 /nfs/dbraw/zinc/60/66/17/352606617.db2.gz AYUUYLYBOQGDDZ-VPOLOUISSA-N 1 3 180.295 1.079 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@H]1CC[C@H]1CN 575541100 352606645 /nfs/dbraw/zinc/60/66/45/352606645.db2.gz DWZXHQWRUYMSQX-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)CC[N@H+]1[C@H]1CC[C@H]1CN 575541100 352606648 /nfs/dbraw/zinc/60/66/48/352606648.db2.gz DWZXHQWRUYMSQX-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N2CC[C@@H]3C[C@@H]32)C1 575541309 352607207 /nfs/dbraw/zinc/60/72/07/352607207.db2.gz FCHZDVJQKCQTKJ-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO CC1(C)[C@@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C[C@H]1N 575541304 352606990 /nfs/dbraw/zinc/60/69/90/352606990.db2.gz FBQDFYSBULEEGN-RGOKHQFPSA-N 1 3 180.295 1.206 10 0 ADAEHO CC1(C)[C@@H]([N@H+]2CC[C@@H]3C[C@@H]32)C[C@H]1N 575541304 352606992 /nfs/dbraw/zinc/60/69/92/352606992.db2.gz FBQDFYSBULEEGN-RGOKHQFPSA-N 1 3 180.295 1.206 10 0 ADAEHO CC1(C)[C@@H]([N@@H+]2CC[C@H]3C[C@H]32)C[C@H]1N 575541298 352607122 /nfs/dbraw/zinc/60/71/22/352607122.db2.gz FBQDFYSBULEEGN-JLIMGVALSA-N 1 3 180.295 1.206 10 0 ADAEHO CC1(C)[C@@H]([N@H+]2CC[C@H]3C[C@H]32)C[C@H]1N 575541298 352607125 /nfs/dbraw/zinc/60/71/25/352607125.db2.gz FBQDFYSBULEEGN-JLIMGVALSA-N 1 3 180.295 1.206 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575541309 352607202 /nfs/dbraw/zinc/60/72/02/352607202.db2.gz FCHZDVJQKCQTKJ-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575541309 352607205 /nfs/dbraw/zinc/60/72/05/352607205.db2.gz FCHZDVJQKCQTKJ-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575541308 352607220 /nfs/dbraw/zinc/60/72/20/352607220.db2.gz FCHZDVJQKCQTKJ-UKKRHICBSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1CNC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575541308 352607224 /nfs/dbraw/zinc/60/72/24/352607224.db2.gz FCHZDVJQKCQTKJ-UKKRHICBSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N2CC[C@H]3C[C@H]32)C1 575541308 352607227 /nfs/dbraw/zinc/60/72/27/352607227.db2.gz FCHZDVJQKCQTKJ-UKKRHICBSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]([C@@H]1CC[NH2+]C1)N1CC[C@@H]2C[C@@H]21 575541427 352607755 /nfs/dbraw/zinc/60/77/55/352607755.db2.gz GVKQMBOTPRFKCH-DBIOUOCHSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@H]([C@@H]1CC[NH2+]C1)N1CC[C@H]2C[C@H]21 575541436 352607970 /nfs/dbraw/zinc/60/79/70/352607970.db2.gz GVKQMBOTPRFKCH-LMLFDSFASA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+]1CC[C@H]1C 575541555 352607985 /nfs/dbraw/zinc/60/79/85/352607985.db2.gz HYIBYICFOIWNIO-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+]1CC[C@H]1C 575541555 352607986 /nfs/dbraw/zinc/60/79/86/352607986.db2.gz HYIBYICFOIWNIO-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]([C@H](C)C[NH3+])N1CC[C@H]1C 575541555 352607989 /nfs/dbraw/zinc/60/79/89/352607989.db2.gz HYIBYICFOIWNIO-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@@H](C)[C@H](C)CN 575541560 352608304 /nfs/dbraw/zinc/60/83/04/352608304.db2.gz HYIBYICFOIWNIO-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H](C)[C@H](C)CN 575541560 352608309 /nfs/dbraw/zinc/60/83/09/352608309.db2.gz HYIBYICFOIWNIO-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CCN1[C@@H](C)[C@H](C)C[NH3+] 575541560 352608310 /nfs/dbraw/zinc/60/83/10/352608310.db2.gz HYIBYICFOIWNIO-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+]1CC[C@H]1C 575541558 352608507 /nfs/dbraw/zinc/60/85/07/352608507.db2.gz HYIBYICFOIWNIO-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+]1CC[C@H]1C 575541558 352608509 /nfs/dbraw/zinc/60/85/09/352608509.db2.gz HYIBYICFOIWNIO-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](C)N1CC[C@H]1C 575541558 352608510 /nfs/dbraw/zinc/60/85/10/352608510.db2.gz HYIBYICFOIWNIO-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@H](C)[C@H](C)CN 575541557 352608623 /nfs/dbraw/zinc/60/86/23/352608623.db2.gz HYIBYICFOIWNIO-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@H](C)[C@H](C)CN 575541557 352608625 /nfs/dbraw/zinc/60/86/25/352608625.db2.gz HYIBYICFOIWNIO-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CCN1[C@H](C)[C@H](C)C[NH3+] 575541557 352608628 /nfs/dbraw/zinc/60/86/28/352608628.db2.gz HYIBYICFOIWNIO-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)CCN1 575542452 352610785 /nfs/dbraw/zinc/61/07/85/352610785.db2.gz UACUWAFHUUDHSO-DBIOUOCHSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)CCN1 575542452 352610787 /nfs/dbraw/zinc/61/07/87/352610787.db2.gz UACUWAFHUUDHSO-DBIOUOCHSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[C@H]32)CCN1 575542454 352610865 /nfs/dbraw/zinc/61/08/65/352610865.db2.gz UACUWAFHUUDHSO-LMLFDSFASA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[C@H]32)CCN1 575542454 352610866 /nfs/dbraw/zinc/61/08/66/352610866.db2.gz UACUWAFHUUDHSO-LMLFDSFASA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)CN1 575542668 352611528 /nfs/dbraw/zinc/61/15/28/352611528.db2.gz YHXRQZXNRZOCML-VPOLOUISSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)CN1 575542668 352611531 /nfs/dbraw/zinc/61/15/31/352611531.db2.gz YHXRQZXNRZOCML-VPOLOUISSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1N1CC[C@H]2C[C@H]21 575542705 352611543 /nfs/dbraw/zinc/61/15/43/352611543.db2.gz YYAGLRKUGAHCAC-XWLWVQCSSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)CN1 575542669 352611556 /nfs/dbraw/zinc/61/15/56/352611556.db2.gz YHXRQZXNRZOCML-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)CN1 575542669 352611557 /nfs/dbraw/zinc/61/15/57/352611557.db2.gz YHXRQZXNRZOCML-ZNSHCXBVSA-N 1 3 180.295 1.221 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1N1CC[C@@H]2C[C@@H]21 575542704 352611602 /nfs/dbraw/zinc/61/16/02/352611602.db2.gz YYAGLRKUGAHCAC-VLEAKVRGSA-N 1 3 180.295 1.221 10 0 ADAEHO NC1(C[N@@H+]2CC[C@H]3C[C@H]32)CCCC1 575542805 352612142 /nfs/dbraw/zinc/61/21/42/352612142.db2.gz KQZFEUMMDBIMHB-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2CC[C@H]3C[C@H]32)CCCC1 575542805 352612144 /nfs/dbraw/zinc/61/21/44/352612144.db2.gz KQZFEUMMDBIMHB-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575542806 352612210 /nfs/dbraw/zinc/61/22/10/352612210.db2.gz KQZFEUMMDBIMHB-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO NC1(C[N@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575542806 352612213 /nfs/dbraw/zinc/61/22/13/352612213.db2.gz KQZFEUMMDBIMHB-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO C[C@@H]1CCN1C1(C[NH3+])CCCCC1 575542786 352612271 /nfs/dbraw/zinc/61/22/71/352612271.db2.gz KQPQJEBLIRCBLF-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO [NH3+]CC1(N2CC=CC2)CCCCC1 575542900 352612323 /nfs/dbraw/zinc/61/23/23/352612323.db2.gz LOLSVQDDAWGTBP-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO C[C@H]1CCN1C1(C[NH3+])CCCCC1 575542785 352612338 /nfs/dbraw/zinc/61/23/38/352612338.db2.gz KQPQJEBLIRCBLF-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@]1(CN2CC[C@H]3C[C@H]32)CC[NH2+]C1 575543170 352613324 /nfs/dbraw/zinc/61/33/24/352613324.db2.gz OKQVRBPULHQVFW-AXFHLTTASA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@]1(CN2CC[C@@H]3C[C@@H]32)CC[NH2+]C1 575543173 352613458 /nfs/dbraw/zinc/61/34/58/352613458.db2.gz OKQVRBPULHQVFW-VWYCJHECSA-N 1 3 180.295 1.080 10 0 ADAEHO CC(C[N@@H+]1CC[C@@H]2C[C@@H]21)=C1CNC1 575544191 352617201 /nfs/dbraw/zinc/61/72/01/352617201.db2.gz VDLDDPVKSGGJRG-KOLCDFICSA-N 1 3 178.279 1.000 10 0 ADAEHO CC(C[N@H+]1CC[C@@H]2C[C@@H]21)=C1CNC1 575544191 352617204 /nfs/dbraw/zinc/61/72/04/352617204.db2.gz VDLDDPVKSGGJRG-KOLCDFICSA-N 1 3 178.279 1.000 10 0 ADAEHO CC(C[N@@H+]1CC[C@H]2C[C@H]21)=C1CNC1 575544189 352617677 /nfs/dbraw/zinc/61/76/77/352617677.db2.gz VDLDDPVKSGGJRG-GXSJLCMTSA-N 1 3 178.279 1.000 10 0 ADAEHO CC(C[N@H+]1CC[C@H]2C[C@H]21)=C1CNC1 575544189 352617679 /nfs/dbraw/zinc/61/76/79/352617679.db2.gz VDLDDPVKSGGJRG-GXSJLCMTSA-N 1 3 178.279 1.000 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC[C@H]2C[C@H]21 575544483 352618067 /nfs/dbraw/zinc/61/80/67/352618067.db2.gz WGPWJNMUFOARQU-UKKRHICBSA-N 1 3 180.295 1.079 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC[C@@H]2C[C@@H]21 575544484 352618345 /nfs/dbraw/zinc/61/83/45/352618345.db2.gz WGPWJNMUFOARQU-ZDCRXTMVSA-N 1 3 180.295 1.079 10 0 ADAEHO CC(C)CN1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575549542 352634598 /nfs/dbraw/zinc/63/45/98/352634598.db2.gz KKBJEYWSPIMSGF-QWRGUYRKSA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)CN1C[C@H]2C[NH2+]C[C@]2(C)C1 575549398 352634765 /nfs/dbraw/zinc/63/47/65/352634765.db2.gz KKBJEYWSPIMSGF-GHMZBOCLSA-N 1 3 182.311 1.184 10 0 ADAEHO CCN1CCC[C@]([NH3+])(C(C)C)CC1 575553980 352651076 /nfs/dbraw/zinc/65/10/76/352651076.db2.gz CBSBPYKNHKRLAB-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN1CCC[C@@]([NH3+])(C(C)C)CC1 575553981 352651227 /nfs/dbraw/zinc/65/12/27/352651227.db2.gz CBSBPYKNHKRLAB-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCC1([NH3+])CCN(C2CC2)CC1 575554762 352653742 /nfs/dbraw/zinc/65/37/42/352653742.db2.gz UGETWOCSQAQHIJ-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 575555789 352657911 /nfs/dbraw/zinc/65/79/11/352657911.db2.gz BRRRXHDWBOKLBP-HRDYMLBCSA-N 1 3 156.273 1.125 10 0 ADAEHO CC(C)[C@]1(N)C[C@@H](C)[N@@H+](C2CC2)C1 575558302 352667606 /nfs/dbraw/zinc/66/76/06/352667606.db2.gz CKNMLDYZEWMGFW-KOLCDFICSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@]1(N)C[C@@H](C)[N@H+](C2CC2)C1 575558302 352667608 /nfs/dbraw/zinc/66/76/08/352667608.db2.gz CKNMLDYZEWMGFW-KOLCDFICSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@@]1(N)C[C@@H](C)[N@@H+](C2CC2)C1 575558305 352667701 /nfs/dbraw/zinc/66/77/01/352667701.db2.gz CKNMLDYZEWMGFW-MWLCHTKSSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@@]1(N)C[C@@H](C)[N@H+](C2CC2)C1 575558305 352667703 /nfs/dbraw/zinc/66/77/03/352667703.db2.gz CKNMLDYZEWMGFW-MWLCHTKSSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@]1(N)C[C@H](C)[N@@H+](C2CC2)C1 575558308 352667777 /nfs/dbraw/zinc/66/77/77/352667777.db2.gz CKNMLDYZEWMGFW-ONGXEEELSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@]1(N)C[C@H](C)[N@H+](C2CC2)C1 575558308 352667778 /nfs/dbraw/zinc/66/77/78/352667778.db2.gz CKNMLDYZEWMGFW-ONGXEEELSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@@]1(N)C[C@H](C)[N@@H+](C2CC2)C1 575558298 352667867 /nfs/dbraw/zinc/66/78/67/352667867.db2.gz CKNMLDYZEWMGFW-GXSJLCMTSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@@]1(N)C[C@H](C)[N@H+](C2CC2)C1 575558298 352667870 /nfs/dbraw/zinc/66/78/70/352667870.db2.gz CKNMLDYZEWMGFW-GXSJLCMTSA-N 1 3 182.311 1.597 10 0 ADAEHO CCN1CCC[C@@]([NH3+])(CC)CC1 575558797 352669824 /nfs/dbraw/zinc/66/98/24/352669824.db2.gz YOTAVBKDEUJSOG-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCN1CCC[C@]([NH3+])(CC)CC1 575558800 352669900 /nfs/dbraw/zinc/66/99/00/352669900.db2.gz YOTAVBKDEUJSOG-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCN1CCC[C@@]([NH3+])(C2CC2)CC1 575558948 352670100 /nfs/dbraw/zinc/67/01/00/352670100.db2.gz ZPIOMWMHXQXWLI-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)[C@H](C)[NH+]1CCC(C)(N)CC1 575559138 352671491 /nfs/dbraw/zinc/67/14/91/352671491.db2.gz GCACOCLVEWIQRG-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@H](C)N1CCC(C)([NH3+])CC1 575559138 352671495 /nfs/dbraw/zinc/67/14/95/352671495.db2.gz GCACOCLVEWIQRG-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H](C)[NH+]1CCC(C)(N)CC1 575559140 352671519 /nfs/dbraw/zinc/67/15/19/352671519.db2.gz GCACOCLVEWIQRG-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H](C)N1CCC(C)([NH3+])CC1 575559140 352671521 /nfs/dbraw/zinc/67/15/21/352671521.db2.gz GCACOCLVEWIQRG-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@](N)(C2CC2)C[N@@H+]1C1CC1 575561374 352680361 /nfs/dbraw/zinc/68/03/61/352680361.db2.gz OLGGTGYGIDOQNQ-LDYMZIIASA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1C[C@](N)(C2CC2)C[N@H+]1C1CC1 575561374 352680363 /nfs/dbraw/zinc/68/03/63/352680363.db2.gz OLGGTGYGIDOQNQ-LDYMZIIASA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]([NH3+])CN[C@]1(C)CC1(C)C 575561342 352680420 /nfs/dbraw/zinc/68/04/20/352680420.db2.gz OBPUJMHGNBFYQN-VXNVDRBHSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH3+])CN[C@@]1(C)CC1(C)C 575561340 352680444 /nfs/dbraw/zinc/68/04/44/352680444.db2.gz OBPUJMHGNBFYQN-CBAPKCEASA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH3+])CN[C@]1(C)CC1(C)C 575561341 352680450 /nfs/dbraw/zinc/68/04/50/352680450.db2.gz OBPUJMHGNBFYQN-IONNQARKSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]([NH3+])CN[C@@]1(C)CC1(C)C 575561339 352680501 /nfs/dbraw/zinc/68/05/01/352680501.db2.gz OBPUJMHGNBFYQN-APPZFPTMSA-N 1 3 156.273 1.112 10 0 ADAEHO CCC[N@@H+]1CCC[C@@](C)(N)CC1 575561399 352680540 /nfs/dbraw/zinc/68/05/40/352680540.db2.gz ONYCRHLPTLSNNT-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[N@H+]1CCC[C@@](C)(N)CC1 575561399 352680541 /nfs/dbraw/zinc/68/05/41/352680541.db2.gz ONYCRHLPTLSNNT-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCN1CCC[C@@](C)([NH3+])CC1 575561399 352680544 /nfs/dbraw/zinc/68/05/44/352680544.db2.gz ONYCRHLPTLSNNT-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO C[C@H]1C[C@@](N)(C2CC2)C[N@@H+]1C1CC1 575561373 352680613 /nfs/dbraw/zinc/68/06/13/352680613.db2.gz OLGGTGYGIDOQNQ-KWQFWETISA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@H]1C[C@@](N)(C2CC2)C[N@H+]1C1CC1 575561373 352680615 /nfs/dbraw/zinc/68/06/15/352680615.db2.gz OLGGTGYGIDOQNQ-KWQFWETISA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@H]1C[C@](N)(C2CC2)C[N@@H+]1C1CC1 575561370 352680649 /nfs/dbraw/zinc/68/06/49/352680649.db2.gz OLGGTGYGIDOQNQ-GZMMTYOYSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@H]1C[C@](N)(C2CC2)C[N@H+]1C1CC1 575561370 352680651 /nfs/dbraw/zinc/68/06/51/352680651.db2.gz OLGGTGYGIDOQNQ-GZMMTYOYSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1C[C@@](N)(C2CC2)C[N@@H+]1C1CC1 575561371 352680717 /nfs/dbraw/zinc/68/07/17/352680717.db2.gz OLGGTGYGIDOQNQ-KCJUWKMLSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1C[C@@](N)(C2CC2)C[N@H+]1C1CC1 575561371 352680719 /nfs/dbraw/zinc/68/07/19/352680719.db2.gz OLGGTGYGIDOQNQ-KCJUWKMLSA-N 1 3 180.295 1.351 10 0 ADAEHO CCC[N@@H+]1CCC[C@](C)(N)CC1 575561396 352680753 /nfs/dbraw/zinc/68/07/53/352680753.db2.gz ONYCRHLPTLSNNT-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[N@H+]1CCC[C@](C)(N)CC1 575561396 352680755 /nfs/dbraw/zinc/68/07/55/352680755.db2.gz ONYCRHLPTLSNNT-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCCN1CCC[C@](C)([NH3+])CC1 575561396 352680757 /nfs/dbraw/zinc/68/07/57/352680757.db2.gz ONYCRHLPTLSNNT-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CC(C)[N@H+]1CCC[C@](C)(N)CC1 575561706 352682627 /nfs/dbraw/zinc/68/26/27/352682627.db2.gz TWNYEGPHMMFYCA-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)N1CCC[C@](C)([NH3+])CC1 575561706 352682629 /nfs/dbraw/zinc/68/26/29/352682629.db2.gz TWNYEGPHMMFYCA-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@](C)(N)CC1 575561708 352682706 /nfs/dbraw/zinc/68/27/06/352682706.db2.gz TWNYEGPHMMFYCA-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@](C)(N)CC1 575561708 352682709 /nfs/dbraw/zinc/68/27/09/352682709.db2.gz TWNYEGPHMMFYCA-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)N1CCC[C@@](C)([NH3+])CC1 575561708 352682715 /nfs/dbraw/zinc/68/27/15/352682715.db2.gz TWNYEGPHMMFYCA-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@]1(N)C[C@H](C)[N@@H+](C2CC2)C1 575561940 352683958 /nfs/dbraw/zinc/68/39/58/352683958.db2.gz VWQHLFRMWFBYIR-WCBMZHEXSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@@]1(N)C[C@H](C)[N@H+](C2CC2)C1 575561940 352683960 /nfs/dbraw/zinc/68/39/60/352683960.db2.gz VWQHLFRMWFBYIR-WCBMZHEXSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@]1(N)C[C@H](C)[N@@H+](C2CC2)C1 575561941 352683968 /nfs/dbraw/zinc/68/39/68/352683968.db2.gz VWQHLFRMWFBYIR-WPRPVWTQSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@]1(N)C[C@H](C)[N@H+](C2CC2)C1 575561941 352683970 /nfs/dbraw/zinc/68/39/70/352683970.db2.gz VWQHLFRMWFBYIR-WPRPVWTQSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@]1(N)C[C@@H](C)[N@@H+](C2CC2)C1 575561938 352684027 /nfs/dbraw/zinc/68/40/27/352684027.db2.gz VWQHLFRMWFBYIR-SCZZXKLOSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@]1(N)C[C@@H](C)[N@H+](C2CC2)C1 575561938 352684028 /nfs/dbraw/zinc/68/40/28/352684028.db2.gz VWQHLFRMWFBYIR-SCZZXKLOSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@@]1(N)C[C@@H](C)[N@@H+](C2CC2)C1 575561937 352684213 /nfs/dbraw/zinc/68/42/13/352684213.db2.gz VWQHLFRMWFBYIR-PSASIEDQSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[C@@]1(N)C[C@@H](C)[N@H+](C2CC2)C1 575561937 352684215 /nfs/dbraw/zinc/68/42/15/352684215.db2.gz VWQHLFRMWFBYIR-PSASIEDQSA-N 1 3 168.284 1.351 10 0 ADAEHO [NH3+][C@]1(C2CC2)CCN2CCC[C@H]1C2 575562323 352685846 /nfs/dbraw/zinc/68/58/46/352685846.db2.gz YRQOQUSWHINNJM-QWRGUYRKSA-N 1 3 180.295 1.210 10 0 ADAEHO CC1(C)C[C@@]1(C)[N@@H+]1CC[C@H](CN)C1 575565244 352699943 /nfs/dbraw/zinc/69/99/43/352699943.db2.gz HYDQJJYGNRJPOG-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@]1(C)[N@H+]1CC[C@H](CN)C1 575565244 352699946 /nfs/dbraw/zinc/69/99/46/352699946.db2.gz HYDQJJYGNRJPOG-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@]1(C)N1CC[C@H](C[NH3+])C1 575565244 352699947 /nfs/dbraw/zinc/69/99/47/352699947.db2.gz HYDQJJYGNRJPOG-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@]1(C)[N@@H+]1CC[C@H](CN)C1 575565243 352700079 /nfs/dbraw/zinc/70/00/79/352700079.db2.gz HYDQJJYGNRJPOG-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@]1(C)[N@H+]1CC[C@H](CN)C1 575565243 352700081 /nfs/dbraw/zinc/70/00/81/352700081.db2.gz HYDQJJYGNRJPOG-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@]1(C)N1CC[C@H](C[NH3+])C1 575565243 352700083 /nfs/dbraw/zinc/70/00/83/352700083.db2.gz HYDQJJYGNRJPOG-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@]1(C)[N@@H+]1CC[C@@H](CN)C1 575565242 352700110 /nfs/dbraw/zinc/70/01/10/352700110.db2.gz HYDQJJYGNRJPOG-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@]1(C)[N@H+]1CC[C@@H](CN)C1 575565242 352700111 /nfs/dbraw/zinc/70/01/11/352700111.db2.gz HYDQJJYGNRJPOG-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@]1(C)N1CC[C@@H](C[NH3+])C1 575565242 352700114 /nfs/dbraw/zinc/70/01/14/352700114.db2.gz HYDQJJYGNRJPOG-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@]1(C)[N@@H+]1CC[C@@H](CN)C1 575565247 352700123 /nfs/dbraw/zinc/70/01/23/352700123.db2.gz HYDQJJYGNRJPOG-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@]1(C)[N@H+]1CC[C@@H](CN)C1 575565247 352700125 /nfs/dbraw/zinc/70/01/25/352700125.db2.gz HYDQJJYGNRJPOG-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@]1(C)N1CC[C@@H](C[NH3+])C1 575565247 352700127 /nfs/dbraw/zinc/70/01/27/352700127.db2.gz HYDQJJYGNRJPOG-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)C[C@@]1(N)C[C@@H](C)[N@H+](C)C1 575565307 352700622 /nfs/dbraw/zinc/70/06/22/352700622.db2.gz ANGFHRFZBABKHS-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@]1(N)C[C@@H](C)[N@@H+](C)C1 575565307 352700626 /nfs/dbraw/zinc/70/06/26/352700626.db2.gz ANGFHRFZBABKHS-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@]1(N)C[C@H](C)[N@H+](C)C1 575565313 352700768 /nfs/dbraw/zinc/70/07/68/352700768.db2.gz ANGFHRFZBABKHS-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@@]1(N)C[C@H](C)[N@@H+](C)C1 575565313 352700769 /nfs/dbraw/zinc/70/07/69/352700769.db2.gz ANGFHRFZBABKHS-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@]1(N)C[C@@H](C)[N@H+](C)C1 575565315 352700850 /nfs/dbraw/zinc/70/08/50/352700850.db2.gz ANGFHRFZBABKHS-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@]1(N)C[C@@H](C)[N@@H+](C)C1 575565315 352700852 /nfs/dbraw/zinc/70/08/52/352700852.db2.gz ANGFHRFZBABKHS-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@]1(N)C[C@H](C)[N@H+](C)C1 575565309 352700955 /nfs/dbraw/zinc/70/09/55/352700955.db2.gz ANGFHRFZBABKHS-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[C@]1(N)C[C@H](C)[N@@H+](C)C1 575565309 352700957 /nfs/dbraw/zinc/70/09/57/352700957.db2.gz ANGFHRFZBABKHS-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC1([NH+]2CCC(N)CC2)CC=CC1 575565453 352701428 /nfs/dbraw/zinc/70/14/28/352701428.db2.gz KERWURNGDQKFQZ-UHFFFAOYSA-N 1 3 180.295 1.518 10 0 ADAEHO CC1(N2CCC([NH3+])CC2)CC=CC1 575565453 352701429 /nfs/dbraw/zinc/70/14/29/352701429.db2.gz KERWURNGDQKFQZ-UHFFFAOYSA-N 1 3 180.295 1.518 10 0 ADAEHO CC(C)[C@@]1(N)C[C@@H](C)[N@H+](C)C1 575565851 352703412 /nfs/dbraw/zinc/70/34/12/352703412.db2.gz RNGLWEUYHLYPAZ-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@@]1(N)C[C@@H](C)[N@@H+](C)C1 575565851 352703413 /nfs/dbraw/zinc/70/34/13/352703413.db2.gz RNGLWEUYHLYPAZ-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@@]1(N)C[C@H](C)[N@H+](C)C1 575565843 352703491 /nfs/dbraw/zinc/70/34/91/352703491.db2.gz RNGLWEUYHLYPAZ-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@@]1(N)C[C@H](C)[N@@H+](C)C1 575565843 352703493 /nfs/dbraw/zinc/70/34/93/352703493.db2.gz RNGLWEUYHLYPAZ-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@]1(N)C[C@@H](C)[N@H+](C)C1 575565837 352703691 /nfs/dbraw/zinc/70/36/91/352703691.db2.gz RNGLWEUYHLYPAZ-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@]1(N)C[C@@H](C)[N@@H+](C)C1 575565837 352703695 /nfs/dbraw/zinc/70/36/95/352703695.db2.gz RNGLWEUYHLYPAZ-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@]1(N)C[C@H](C)[N@H+](C)C1 575565846 352703809 /nfs/dbraw/zinc/70/38/09/352703809.db2.gz RNGLWEUYHLYPAZ-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@]1(N)C[C@H](C)[N@@H+](C)C1 575565846 352703810 /nfs/dbraw/zinc/70/38/10/352703810.db2.gz RNGLWEUYHLYPAZ-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CN[C@H]1CC[N@@H+](C2(C)CC=CC2)C1 575566062 352705121 /nfs/dbraw/zinc/70/51/21/352705121.db2.gz PFBYLMZZGOFIGF-JTQLQIEISA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@H]1CC[N@H+](C2(C)CC=CC2)C1 575566062 352705122 /nfs/dbraw/zinc/70/51/22/352705122.db2.gz PFBYLMZZGOFIGF-JTQLQIEISA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C2(C)CC=CC2)C1 575566064 352705194 /nfs/dbraw/zinc/70/51/94/352705194.db2.gz PFBYLMZZGOFIGF-SNVBAGLBSA-N 1 3 180.295 1.389 10 0 ADAEHO CN[C@@H]1CC[N@H+](C2(C)CC=CC2)C1 575566064 352705198 /nfs/dbraw/zinc/70/51/98/352705198.db2.gz PFBYLMZZGOFIGF-SNVBAGLBSA-N 1 3 180.295 1.389 10 0 ADAEHO CCC[C@]1(N)C[C@H](C)[N@H+](C)C1 575566309 352706265 /nfs/dbraw/zinc/70/62/65/352706265.db2.gz TUYIUDDNKXPNPL-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@]1(N)C[C@H](C)[N@@H+](C)C1 575566309 352706267 /nfs/dbraw/zinc/70/62/67/352706267.db2.gz TUYIUDDNKXPNPL-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@]1(N)C[C@H](C)[N@H+](C)C1 575566308 352706282 /nfs/dbraw/zinc/70/62/82/352706282.db2.gz TUYIUDDNKXPNPL-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@]1(N)C[C@H](C)[N@@H+](C)C1 575566308 352706283 /nfs/dbraw/zinc/70/62/83/352706283.db2.gz TUYIUDDNKXPNPL-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@]1(N)C[C@@H](C)[N@H+](C)C1 575566307 352706433 /nfs/dbraw/zinc/70/64/33/352706433.db2.gz TUYIUDDNKXPNPL-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@]1(N)C[C@@H](C)[N@@H+](C)C1 575566307 352706435 /nfs/dbraw/zinc/70/64/35/352706435.db2.gz TUYIUDDNKXPNPL-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@]1(N)C[C@@H](C)[N@H+](C)C1 575566310 352706765 /nfs/dbraw/zinc/70/67/65/352706765.db2.gz TUYIUDDNKXPNPL-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@@]1(N)C[C@@H](C)[N@@H+](C)C1 575566310 352706767 /nfs/dbraw/zinc/70/67/67/352706767.db2.gz TUYIUDDNKXPNPL-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1(C)C[C@]1(C)[NH+]1CCC(N)CC1 575567039 352709297 /nfs/dbraw/zinc/70/92/97/352709297.db2.gz WTXSQRSTORIGEP-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)C[C@@]1(C)[NH+]1CCC(N)CC1 575567038 352709418 /nfs/dbraw/zinc/70/94/18/352709418.db2.gz WTXSQRSTORIGEP-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(N2CC[C@H]([NH3+])C2)CC=CC1 575567097 352709858 /nfs/dbraw/zinc/70/98/58/352709858.db2.gz XHFBHNJEMOHCQX-VIFPVBQESA-N 1 3 166.268 1.128 10 0 ADAEHO CC1(N2CC[C@@H]([NH3+])C2)CC=CC1 575567095 352709927 /nfs/dbraw/zinc/70/99/27/352709927.db2.gz XHFBHNJEMOHCQX-SECBINFHSA-N 1 3 166.268 1.128 10 0 ADAEHO CC[N@@H+]1CC[C@](N)(C(C)C)C1 575567344 352711207 /nfs/dbraw/zinc/71/12/07/352711207.db2.gz HUXBOAPSPJJWCX-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CC[C@](N)(C(C)C)C1 575567344 352711210 /nfs/dbraw/zinc/71/12/10/352711210.db2.gz HUXBOAPSPJJWCX-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@]1(N)CC[N@H+](CC)C1 575567455 352711327 /nfs/dbraw/zinc/71/13/27/352711327.db2.gz JTQRGIJKWBYKSW-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[C@]1(N)CC[N@@H+](CC)C1 575567455 352711328 /nfs/dbraw/zinc/71/13/28/352711328.db2.gz JTQRGIJKWBYKSW-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[C@@]1(N)CC[N@H+](CC)C1 575567454 352711391 /nfs/dbraw/zinc/71/13/91/352711391.db2.gz JTQRGIJKWBYKSW-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CCC[C@@]1(N)CC[N@@H+](CC)C1 575567454 352711394 /nfs/dbraw/zinc/71/13/94/352711394.db2.gz JTQRGIJKWBYKSW-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO CC[N@@H+]1CC[C@@](N)(C(C)C)C1 575567346 352711497 /nfs/dbraw/zinc/71/14/97/352711497.db2.gz HUXBOAPSPJJWCX-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+]1CC[C@@](N)(C(C)C)C1 575567346 352711498 /nfs/dbraw/zinc/71/14/98/352711498.db2.gz HUXBOAPSPJJWCX-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)C[N@H+](C2(CN)CC2)C1(C)C 575567956 352713864 /nfs/dbraw/zinc/71/38/64/352713864.db2.gz AWIXDKPZYSLIJV-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)C[N@@H+](C2(CN)CC2)C1(C)C 575567956 352713867 /nfs/dbraw/zinc/71/38/67/352713867.db2.gz AWIXDKPZYSLIJV-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@](N)(C2CCCC2)C[N@@H+]1C 575568054 352714401 /nfs/dbraw/zinc/71/44/01/352714401.db2.gz DHPLNNOTSLHMPI-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@](N)(C2CCCC2)C[N@H+]1C 575568054 352714404 /nfs/dbraw/zinc/71/44/04/352714404.db2.gz DHPLNNOTSLHMPI-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@](N)(C2CCCC2)C[N@@H+]1C 575568056 352714433 /nfs/dbraw/zinc/71/44/33/352714433.db2.gz DHPLNNOTSLHMPI-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@](N)(C2CCCC2)C[N@H+]1C 575568056 352714435 /nfs/dbraw/zinc/71/44/35/352714435.db2.gz DHPLNNOTSLHMPI-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@](N)(C2CCCC2)C[N@@H+]1C 575568053 352714541 /nfs/dbraw/zinc/71/45/41/352714541.db2.gz DHPLNNOTSLHMPI-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@](N)(C2CCCC2)C[N@H+]1C 575568053 352714543 /nfs/dbraw/zinc/71/45/43/352714543.db2.gz DHPLNNOTSLHMPI-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@](N)(C2CCCC2)C[N@@H+]1C 575568055 352714626 /nfs/dbraw/zinc/71/46/26/352714626.db2.gz DHPLNNOTSLHMPI-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@](N)(C2CCCC2)C[N@H+]1C 575568055 352714627 /nfs/dbraw/zinc/71/46/27/352714627.db2.gz DHPLNNOTSLHMPI-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]([C@@H](C)N)[N@@H+]1CC(C)(C)C1(C)C 575568284 352715841 /nfs/dbraw/zinc/71/58/41/352715841.db2.gz NJTZMJIDWCEANY-BDAKNGLRSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]([C@@H](C)N)[N@H+]1CC(C)(C)C1(C)C 575568284 352715844 /nfs/dbraw/zinc/71/58/44/352715844.db2.gz NJTZMJIDWCEANY-BDAKNGLRSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](N)[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 575568285 352715967 /nfs/dbraw/zinc/71/59/67/352715967.db2.gz NJTZMJIDWCEANY-DTWKUNHWSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1CC(C)(C)C1(C)C 575568287 352716072 /nfs/dbraw/zinc/71/60/72/352716072.db2.gz NJTZMJIDWCEANY-IUCAKERBSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1CC(C)(C)C1(C)C 575568287 352716074 /nfs/dbraw/zinc/71/60/74/352716074.db2.gz NJTZMJIDWCEANY-IUCAKERBSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](N)[C@@H](C)[N@@H+]1CC(C)(C)C1(C)C 575568292 352716106 /nfs/dbraw/zinc/71/61/06/352716106.db2.gz NJTZMJIDWCEANY-RKDXNWHRSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](N)[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 575568292 352716108 /nfs/dbraw/zinc/71/61/08/352716108.db2.gz NJTZMJIDWCEANY-RKDXNWHRSA-N 1 3 184.327 1.843 10 0 ADAEHO CC(C)[C@@]1(N)CC[N@@H+](C2CC2)C1 575568890 352718349 /nfs/dbraw/zinc/71/83/49/352718349.db2.gz GBYWFRFKZAFFIE-SNVBAGLBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@@]1(N)CC[N@H+](C2CC2)C1 575568890 352718351 /nfs/dbraw/zinc/71/83/51/352718351.db2.gz GBYWFRFKZAFFIE-SNVBAGLBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@]1(N)CC[N@@H+](C2CC2)C1 575568889 352718372 /nfs/dbraw/zinc/71/83/72/352718372.db2.gz GBYWFRFKZAFFIE-JTQLQIEISA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)[C@]1(N)CC[N@H+](C2CC2)C1 575568889 352718374 /nfs/dbraw/zinc/71/83/74/352718374.db2.gz GBYWFRFKZAFFIE-JTQLQIEISA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@@]1(C)[NH+]1CCCNCCC1 575569216 352719645 /nfs/dbraw/zinc/71/96/45/352719645.db2.gz HZZUQESDJRETHW-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@@]1(C)N1CCC[NH2+]CCC1 575569216 352719648 /nfs/dbraw/zinc/71/96/48/352719648.db2.gz HZZUQESDJRETHW-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@]1(C)[NH+]1CCCNCCC1 575569194 352719705 /nfs/dbraw/zinc/71/97/05/352719705.db2.gz HZZUQESDJRETHW-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@]1(C)N1CCC[NH2+]CCC1 575569194 352719708 /nfs/dbraw/zinc/71/97/08/352719708.db2.gz HZZUQESDJRETHW-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@@]1(C)[NH+]1CCCNCCC1 575569183 352719866 /nfs/dbraw/zinc/71/98/66/352719866.db2.gz HZZUQESDJRETHW-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@@]1(C)N1CCC[NH2+]CCC1 575569183 352719868 /nfs/dbraw/zinc/71/98/68/352719868.db2.gz HZZUQESDJRETHW-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@]1(C)[NH+]1CCCNCCC1 575569198 352719888 /nfs/dbraw/zinc/71/98/88/352719888.db2.gz HZZUQESDJRETHW-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1C[C@]1(C)N1CCC[NH2+]CCC1 575569198 352719890 /nfs/dbraw/zinc/71/98/90/352719890.db2.gz HZZUQESDJRETHW-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1([NH3+])CCN(C2CCC2)CC1 575571199 352729420 /nfs/dbraw/zinc/72/94/20/352729420.db2.gz IIFWPGQLBLCTGQ-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@@H](CN)C1 575571581 352730862 /nfs/dbraw/zinc/73/08/62/352730862.db2.gz QEBQFQOAVZKPLU-KXUCPTDWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@@H](CN)C1 575571581 352730866 /nfs/dbraw/zinc/73/08/66/352730866.db2.gz QEBQFQOAVZKPLU-KXUCPTDWSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@@H](CN)C1 575571584 352730917 /nfs/dbraw/zinc/73/09/17/352730917.db2.gz QEBQFQOAVZKPLU-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@]1(C)[N@H+]1CC[C@@H](CN)C1 575571584 352730919 /nfs/dbraw/zinc/73/09/19/352730919.db2.gz QEBQFQOAVZKPLU-UTLUCORTSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@@]1(C)[N@@H+]1CC[C@H](CN)C1 575571582 352730938 /nfs/dbraw/zinc/73/09/38/352730938.db2.gz QEBQFQOAVZKPLU-OPRDCNLKSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@H](CN)C1 575571582 352730940 /nfs/dbraw/zinc/73/09/40/352730940.db2.gz QEBQFQOAVZKPLU-OPRDCNLKSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@]1(C)[N@@H+]1CC[C@H](CN)C1 575571579 352730972 /nfs/dbraw/zinc/73/09/72/352730972.db2.gz QEBQFQOAVZKPLU-BBBLOLIVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1C[C@]1(C)[N@H+]1CC[C@H](CN)C1 575571579 352730977 /nfs/dbraw/zinc/73/09/77/352730977.db2.gz QEBQFQOAVZKPLU-BBBLOLIVSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[N@@H+]1CC[C@@](N)(C2CCCC2)C1 575571490 352731167 /nfs/dbraw/zinc/73/11/67/352731167.db2.gz VWSKPIMDTHVWKN-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO CC[N@@H+]1CC[C@](N)(C2CCCC2)C1 575571489 352731301 /nfs/dbraw/zinc/73/13/01/352731301.db2.gz VWSKPIMDTHVWKN-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO CC[N@H+]1CC[C@](N)(C2CCCC2)C1 575571489 352731304 /nfs/dbraw/zinc/73/13/04/352731304.db2.gz VWSKPIMDTHVWKN-LLVKDONJSA-N 1 3 182.311 1.600 10 0 ADAEHO CC1(C)CN(C2CC([NH3+])C2)C1(C)C 575571863 352733372 /nfs/dbraw/zinc/73/33/72/352733372.db2.gz XMUGKEBTCKVIBV-UHFFFAOYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1CCCC[N@H+](CC2CNC2)C1 575572573 352736572 /nfs/dbraw/zinc/73/65/72/352736572.db2.gz PUIJPEHUDUJPKX-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@H]1CCCC[N@@H+](CC2CNC2)C1 575572573 352736574 /nfs/dbraw/zinc/73/65/74/352736574.db2.gz PUIJPEHUDUJPKX-JTQLQIEISA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCCC[N@H+](CC2CNC2)C1 575572574 352736940 /nfs/dbraw/zinc/73/69/40/352736940.db2.gz PUIJPEHUDUJPKX-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO C[C@@H]1CCCC[N@@H+](CC2CNC2)C1 575572574 352736941 /nfs/dbraw/zinc/73/69/41/352736941.db2.gz PUIJPEHUDUJPKX-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CC(C)[C@H](C)[C@@]1(N)C[C@@H](C)[N@H+](C)C1 575572694 352737249 /nfs/dbraw/zinc/73/72/49/352737249.db2.gz SLEGZOULIQSCOJ-OUAUKWLOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[C@]1(N)C[C@H](C)[N@H+](C)C1 575572685 352737590 /nfs/dbraw/zinc/73/75/90/352737590.db2.gz SLEGZOULIQSCOJ-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[C@]1(N)C[C@@H](C)[N@H+](C)C1 575572696 352737456 /nfs/dbraw/zinc/73/74/56/352737456.db2.gz SLEGZOULIQSCOJ-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[C@]1(N)C[C@@H](C)[N@@H+](C)C1 575572696 352737458 /nfs/dbraw/zinc/73/74/58/352737458.db2.gz SLEGZOULIQSCOJ-VWYCJHECSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[C@]1(N)C[C@H](C)[N@@H+](C)C1 575572685 352737591 /nfs/dbraw/zinc/73/75/91/352737591.db2.gz SLEGZOULIQSCOJ-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[C@@]1(N)C[C@H](C)[N@H+](C)C1 575572687 352737549 /nfs/dbraw/zinc/73/75/49/352737549.db2.gz SLEGZOULIQSCOJ-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[C@H](C)[C@@]1(N)C[C@H](C)[N@@H+](C)C1 575572687 352737550 /nfs/dbraw/zinc/73/75/50/352737550.db2.gz SLEGZOULIQSCOJ-GARJFASQSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[C@H](C)[C@]1(N)C[C@H](C)[N@H+](C)C1 575572807 352737957 /nfs/dbraw/zinc/73/79/57/352737957.db2.gz WWQWNLQVCKAFLX-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@]1(N)C[C@H](C)[N@@H+](C)C1 575572807 352737960 /nfs/dbraw/zinc/73/79/60/352737960.db2.gz WWQWNLQVCKAFLX-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@]1(N)C[C@@H](C)[N@H+](C)C1 575572804 352738089 /nfs/dbraw/zinc/73/80/89/352738089.db2.gz WWQWNLQVCKAFLX-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@]1(N)C[C@@H](C)[N@@H+](C)C1 575572804 352738092 /nfs/dbraw/zinc/73/80/92/352738092.db2.gz WWQWNLQVCKAFLX-AEJSXWLSSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@]1(N)C[C@H](C)[N@H+](C)C1 575572810 352738123 /nfs/dbraw/zinc/73/81/23/352738123.db2.gz WWQWNLQVCKAFLX-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@]1(N)C[C@H](C)[N@@H+](C)C1 575572810 352738124 /nfs/dbraw/zinc/73/81/24/352738124.db2.gz WWQWNLQVCKAFLX-LPEHRKFASA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[C@@]1(N)C[C@@H](C)[N@@H+](C)C1 575572808 352738183 /nfs/dbraw/zinc/73/81/83/352738183.db2.gz WWQWNLQVCKAFLX-IVZWLZJFSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1C[C@]1(C)C[NH+]1CCC(N)CC1 575573188 352740163 /nfs/dbraw/zinc/74/01/63/352740163.db2.gz ZFIAYQYKVPBIPE-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1C[C@@]1(C)C[NH+]1CCC(N)CC1 575573192 352740390 /nfs/dbraw/zinc/74/03/90/352740390.db2.gz ZFIAYQYKVPBIPE-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@@]1(C)C[NH+]1CCC(N)CC1 575573190 352740428 /nfs/dbraw/zinc/74/04/28/352740428.db2.gz ZFIAYQYKVPBIPE-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1C[C@]1(C)C[NH+]1CCC(N)CC1 575573191 352740436 /nfs/dbraw/zinc/74/04/36/352740436.db2.gz ZFIAYQYKVPBIPE-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CC[C@@H]1N1CCC(C)([NH3+])CC1 575573867 352743740 /nfs/dbraw/zinc/74/37/40/352743740.db2.gz ZIHMVUPCERVQSJ-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1CCC(C)([NH3+])CC1 575573869 352743761 /nfs/dbraw/zinc/74/37/61/352743761.db2.gz ZIHMVUPCERVQSJ-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@H]1N1CCC(C)([NH3+])CC1 575573866 352743904 /nfs/dbraw/zinc/74/39/04/352743904.db2.gz ZIHMVUPCERVQSJ-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@H]1N1CCC(C)([NH3+])CC1 575573868 352743951 /nfs/dbraw/zinc/74/39/51/352743951.db2.gz ZIHMVUPCERVQSJ-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1C1CC(C)(C)C1 575574205 352744920 /nfs/dbraw/zinc/74/49/20/352744920.db2.gz MAINFICOJLCVMA-BDAKNGLRSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H](C[NH3+])N1C[C@H]2CCCC[C@]21C 575574190 352745025 /nfs/dbraw/zinc/74/50/25/352745025.db2.gz LDSWUQGFCSKAOG-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](C[NH3+])N1C[C@@H]2CCCC[C@]21C 575574192 352745065 /nfs/dbraw/zinc/74/50/65/352745065.db2.gz LDSWUQGFCSKAOG-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN1C1CC(C)(C)C1 575574206 352745343 /nfs/dbraw/zinc/74/53/43/352745343.db2.gz MAINFICOJLCVMA-DTWKUNHWSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H](C[NH3+])N1C[C@@H]2CCCC[C@@]21C 575574193 352745380 /nfs/dbraw/zinc/74/53/80/352745380.db2.gz LDSWUQGFCSKAOG-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](C[NH3+])N1C[C@@H]2CCCC[C@@]21C 575574189 352745422 /nfs/dbraw/zinc/74/54/22/352745422.db2.gz LDSWUQGFCSKAOG-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1C1CC(C)(C)C1 575574208 352745437 /nfs/dbraw/zinc/74/54/37/352745437.db2.gz MAINFICOJLCVMA-RKDXNWHRSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H](C[NH3+])N1C[C@H]2CCCC[C@@]21C 575574191 352745449 /nfs/dbraw/zinc/74/54/49/352745449.db2.gz LDSWUQGFCSKAOG-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CN1C1CC(C)(C)C1 575574207 352745475 /nfs/dbraw/zinc/74/54/75/352745475.db2.gz MAINFICOJLCVMA-IUCAKERBSA-N 1 3 182.311 1.597 10 0 ADAEHO CN1CCC[C@@]([NH3+])(C2CC2)CC1 575574888 352748858 /nfs/dbraw/zinc/74/88/58/352748858.db2.gz AIIMZORSUYRGQH-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO CN1CCC[C@]([NH3+])(C2CC2)CC1 575574890 352749011 /nfs/dbraw/zinc/74/90/11/352749011.db2.gz AIIMZORSUYRGQH-SNVBAGLBSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H]1C[C@]([NH3+])(C2CC2)CCN1C 575575385 352750886 /nfs/dbraw/zinc/75/08/86/352750886.db2.gz GNMWLNYLUFIOMX-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@]([NH3+])(C2CC2)CCN1C 575575381 352750899 /nfs/dbraw/zinc/75/08/99/352750899.db2.gz GNMWLNYLUFIOMX-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@@]([NH3+])(C2CC2)CCN1C 575575379 352751059 /nfs/dbraw/zinc/75/10/59/352751059.db2.gz GNMWLNYLUFIOMX-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@@]([NH3+])(C2CC2)CCN1C 575575383 352751248 /nfs/dbraw/zinc/75/12/48/352751248.db2.gz GNMWLNYLUFIOMX-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@]1([NH3+])CCN(C)C[C@@H]1C 575575478 352751798 /nfs/dbraw/zinc/75/17/98/352751798.db2.gz HHUSJNBIOCTFCU-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@]1([NH3+])CCN(C)C[C@@H]1C 575575479 352751475 /nfs/dbraw/zinc/75/14/75/352751475.db2.gz HHUSJNBIOCTFCU-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@]1([NH3+])CCN(C)C[C@H]1C 575575477 352751628 /nfs/dbraw/zinc/75/16/28/352751628.db2.gz HHUSJNBIOCTFCU-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@]1([NH3+])CCN(C)C[C@H]1C 575575481 352751918 /nfs/dbraw/zinc/75/19/18/352751918.db2.gz HHUSJNBIOCTFCU-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)(C[NH3+])N1CCC12CCCC2 575575552 352752670 /nfs/dbraw/zinc/75/26/70/352752670.db2.gz BQEBMUHNTSJTBY-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC(C)C[C@@]1([NH3+])CCN2CCC[C@@H]21 575575800 352753681 /nfs/dbraw/zinc/75/36/81/352753681.db2.gz IXSQWRLPZPJEQO-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)C[C@]1([NH3+])CCN2CCC[C@H]21 575575806 352753698 /nfs/dbraw/zinc/75/36/98/352753698.db2.gz IXSQWRLPZPJEQO-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@]1([NH3+])CCN(C)C[C@@H]1C 575575863 352753813 /nfs/dbraw/zinc/75/38/13/352753813.db2.gz JPUFJIWITXTHDC-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1CN(C)CC[C@@]1([NH3+])C1CC1 575575827 352753849 /nfs/dbraw/zinc/75/38/49/352753849.db2.gz JGEJGTWUJBQKNA-WPRPVWTQSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN(C)C[C@H]1C 575575870 352753897 /nfs/dbraw/zinc/75/38/97/352753897.db2.gz JPUFJIWITXTHDC-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN(C)C[C@@H]1C 575575860 352753981 /nfs/dbraw/zinc/75/39/81/352753981.db2.gz JPUFJIWITXTHDC-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H]1CN(C)CC[C@]1([NH3+])C1CC1 575575825 352754165 /nfs/dbraw/zinc/75/41/65/352754165.db2.gz JGEJGTWUJBQKNA-WCBMZHEXSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)C[C@@]1([NH3+])CCN2CCC[C@H]21 575575803 352754181 /nfs/dbraw/zinc/75/41/81/352754181.db2.gz IXSQWRLPZPJEQO-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@]1([NH3+])CCN(C)C[C@H]1C 575575858 352754187 /nfs/dbraw/zinc/75/41/87/352754187.db2.gz JPUFJIWITXTHDC-NXEZZACHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@]1([NH3+])CCN2CCC[C@@H]21 575575798 352754212 /nfs/dbraw/zinc/75/42/12/352754212.db2.gz IXSQWRLPZPJEQO-GHMZBOCLSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C)CC[C@]1([NH3+])C1CC1 575575822 352754218 /nfs/dbraw/zinc/75/42/18/352754218.db2.gz JGEJGTWUJBQKNA-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]1C[C@]1(C)NCC(C)(C)[NH3+] 575576111 352754610 /nfs/dbraw/zinc/75/46/10/352754610.db2.gz KRZCGUFINHHGEY-CBAPKCEASA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1C[C@@]1(C)NCC(C)(C)[NH3+] 575576113 352754790 /nfs/dbraw/zinc/75/47/90/352754790.db2.gz KRZCGUFINHHGEY-VXNVDRBHSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1C[C@@H]([NH3+])C[C@H]1C 575576029 352754837 /nfs/dbraw/zinc/75/48/37/352754837.db2.gz IPLLJYJGIVIMIZ-KYXWUPHJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[C@]1(C)NCC(C)(C)[NH3+] 575576109 352754862 /nfs/dbraw/zinc/75/48/62/352754862.db2.gz KRZCGUFINHHGEY-APPZFPTMSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CN1C[C@H]1C[C@H]1C 575576032 352754878 /nfs/dbraw/zinc/75/48/78/352754878.db2.gz IPLLJYJGIVIMIZ-RGOKHQFPSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1C[C@@]1(C)NCC(C)(C)[NH3+] 575576112 352754889 /nfs/dbraw/zinc/75/48/89/352754889.db2.gz KRZCGUFINHHGEY-IONNQARKSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1C[C@H]([NH3+])C[C@H]1C 575576036 352754939 /nfs/dbraw/zinc/75/49/39/352754939.db2.gz IPLLJYJGIVIMIZ-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN1C[C@H]1C[C@H]1C 575576034 352754951 /nfs/dbraw/zinc/75/49/51/352754951.db2.gz IPLLJYJGIVIMIZ-UTINFBMNSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]([NH3+])CCN1C[C@@H](C)[C@H]1C 575581981 352785093 /nfs/dbraw/zinc/78/50/93/352785093.db2.gz BIJRMCRGDDAYBU-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[NH+]1CC(CN)C1 575576360 352756023 /nfs/dbraw/zinc/75/60/23/352756023.db2.gz JVCAZPXARMRRSO-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[NH+]1CC(CN)C1 575576357 352756031 /nfs/dbraw/zinc/75/60/31/352756031.db2.gz JVCAZPXARMRRSO-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCCC[C@H]1[NH+]1CC(CN)C1 575576349 352756234 /nfs/dbraw/zinc/75/62/34/352756234.db2.gz JVCAZPXARMRRSO-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CC(CN)C1 575576354 352756325 /nfs/dbraw/zinc/75/63/25/352756325.db2.gz JVCAZPXARMRRSO-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@]1([NH3+])CCN(C)[C@@H](C)C1 575576687 352757604 /nfs/dbraw/zinc/75/76/04/352757604.db2.gz NOTJIPGOMQDISN-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN(C)[C@H](C)C1 575576685 352757611 /nfs/dbraw/zinc/75/76/11/352757611.db2.gz NOTJIPGOMQDISN-NXEZZACHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN(C)[C@@H](C)C1 575576689 352757670 /nfs/dbraw/zinc/75/76/70/352757670.db2.gz NOTJIPGOMQDISN-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@]1([NH3+])CCN(C)[C@H](C)C1 575576691 352758210 /nfs/dbraw/zinc/75/82/10/352758210.db2.gz NOTJIPGOMQDISN-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@]1([NH3+])CCN2CCC[C@@H]21 575576773 352758254 /nfs/dbraw/zinc/75/82/54/352758254.db2.gz NRZUGPBRRLLMHD-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO CCC[C@@]1([NH3+])CCN2CCC[C@H]21 575576763 352758468 /nfs/dbraw/zinc/75/84/68/352758468.db2.gz NRZUGPBRRLLMHD-VHSXEESVSA-N 1 3 168.284 1.352 10 0 ADAEHO CCC[C@@]1([NH3+])CCN2CCC[C@@H]21 575576760 352758552 /nfs/dbraw/zinc/75/85/52/352758552.db2.gz NRZUGPBRRLLMHD-NXEZZACHSA-N 1 3 168.284 1.352 10 0 ADAEHO CCC[C@]1([NH3+])CCN2CCC[C@H]21 575576762 352758588 /nfs/dbraw/zinc/75/85/88/352758588.db2.gz NRZUGPBRRLLMHD-UWVGGRQHSA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN(C)[C@@H](C)C1 575577346 352760535 /nfs/dbraw/zinc/76/05/35/352760535.db2.gz QAYDUMHELXCVSL-GARJFASQSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN(C)[C@H](C)C1 575577347 352760594 /nfs/dbraw/zinc/76/05/94/352760594.db2.gz QAYDUMHELXCVSL-HBNTYKKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCN(C)[C@H](C)C1 575577344 352760721 /nfs/dbraw/zinc/76/07/21/352760721.db2.gz QAYDUMHELXCVSL-AXFHLTTASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCN(C)[C@@H](C)C1 575577345 352760820 /nfs/dbraw/zinc/76/08/20/352760820.db2.gz QAYDUMHELXCVSL-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CC1(C)C 575577847 352763519 /nfs/dbraw/zinc/76/35/19/352763519.db2.gz RGEHUNCDHXQOAZ-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@]1([NH3+])CCN2CCC[C@H]21 575577853 352763532 /nfs/dbraw/zinc/76/35/32/352763532.db2.gz RNPURRCWTXXUND-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCN2CCC[C@@H]21 575577825 352763547 /nfs/dbraw/zinc/76/35/47/352763547.db2.gz RFZMPJKMRLGJTD-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN2CCC[C@@H]21 575577856 352763556 /nfs/dbraw/zinc/76/35/56/352763556.db2.gz RNPURRCWTXXUND-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CC1(C)C 575577845 352763585 /nfs/dbraw/zinc/76/35/85/352763585.db2.gz RGEHUNCDHXQOAZ-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN2CCC[C@H]21 575577851 352763606 /nfs/dbraw/zinc/76/36/06/352763606.db2.gz RNPURRCWTXXUND-UWVGGRQHSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CC1(C)C 575577850 352763690 /nfs/dbraw/zinc/76/36/90/352763690.db2.gz RGEHUNCDHXQOAZ-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)[C@]1([NH3+])CCN2CCC[C@@H]21 575577848 352763747 /nfs/dbraw/zinc/76/37/47/352763747.db2.gz RNPURRCWTXXUND-NXEZZACHSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCN2CCC[C@H]21 575577821 352763949 /nfs/dbraw/zinc/76/39/49/352763949.db2.gz RFZMPJKMRLGJTD-GARJFASQSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN2CCC[C@@H]21 575577819 352763962 /nfs/dbraw/zinc/76/39/62/352763962.db2.gz RFZMPJKMRLGJTD-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC1(C)C 575577852 352764002 /nfs/dbraw/zinc/76/40/02/352764002.db2.gz RGEHUNCDHXQOAZ-UTLUCORTSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN2CCC[C@H]21 575577820 352764051 /nfs/dbraw/zinc/76/40/51/352764051.db2.gz RFZMPJKMRLGJTD-DCAQKATOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC12CC2 575577944 352764505 /nfs/dbraw/zinc/76/45/05/352764505.db2.gz RVMUCRWFSVALPN-UTLUCORTSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CC12CC2 575577939 352764516 /nfs/dbraw/zinc/76/45/16/352764516.db2.gz RVMUCRWFSVALPN-KXUCPTDWSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CC12CC2 575577943 352764585 /nfs/dbraw/zinc/76/45/85/352764585.db2.gz RVMUCRWFSVALPN-OPRDCNLKSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CC12CC2 575577938 352764840 /nfs/dbraw/zinc/76/48/40/352764840.db2.gz RVMUCRWFSVALPN-BBBLOLIVSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@H](C[NH3+])N1CCC12CCCC2 575578378 352766812 /nfs/dbraw/zinc/76/68/12/352766812.db2.gz VYDWYBUWWSWUSU-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H](C[NH3+])N1CCC12CCCC2 575578380 352766995 /nfs/dbraw/zinc/76/69/95/352766995.db2.gz VYDWYBUWWSWUSU-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CCC[C@]1([NH3+])CCN(C)C[C@H]1C 575579300 352771463 /nfs/dbraw/zinc/77/14/63/352771463.db2.gz WQUQMYJLUPFVGL-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@]1([NH3+])CCN(C)C[C@@H]1C 575579296 352771514 /nfs/dbraw/zinc/77/15/14/352771514.db2.gz WQUQMYJLUPFVGL-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@]1([NH3+])CCN(C)C[C@@H]1C 575579298 352771685 /nfs/dbraw/zinc/77/16/85/352771685.db2.gz WQUQMYJLUPFVGL-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@]1([NH3+])CCN(C)C[C@H]1C 575579293 352771736 /nfs/dbraw/zinc/77/17/36/352771736.db2.gz WQUQMYJLUPFVGL-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@]1([NH3+])CCN(C)[C@H](C)C1 575579789 352773479 /nfs/dbraw/zinc/77/34/79/352773479.db2.gz ZTVKNOCMJLXLPA-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@]1([NH3+])CCN(C)[C@@H](C)C1 575579788 352773448 /nfs/dbraw/zinc/77/34/48/352773448.db2.gz ZTVKNOCMJLXLPA-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@]1([NH3+])CCN(C)[C@@H](C)C1 575579786 352773497 /nfs/dbraw/zinc/77/34/97/352773497.db2.gz ZTVKNOCMJLXLPA-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@]1([NH3+])CCN(C)[C@H](C)C1 575579785 352773507 /nfs/dbraw/zinc/77/35/07/352773507.db2.gz ZTVKNOCMJLXLPA-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN(C)C[C@@H]1C 575579791 352773536 /nfs/dbraw/zinc/77/35/36/352773536.db2.gz ZWVMPOQMGSSIGW-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCN(C)C[C@@H]1C 575579793 352773813 /nfs/dbraw/zinc/77/38/13/352773813.db2.gz ZWVMPOQMGSSIGW-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN(C)C[C@H]1C 575579790 352773901 /nfs/dbraw/zinc/77/39/01/352773901.db2.gz ZWVMPOQMGSSIGW-AXFHLTTASA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCN(C)C[C@H]1C 575579794 352773935 /nfs/dbraw/zinc/77/39/35/352773935.db2.gz ZWVMPOQMGSSIGW-HBNTYKKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[C@@]1([NH3+])CCN2CC[C@H]1C2 575580574 352778148 /nfs/dbraw/zinc/77/81/48/352778148.db2.gz DWKPRWSPECTKHZ-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)[C@@]1([NH3+])CCN2CC[C@H]1C2 575580796 352779697 /nfs/dbraw/zinc/77/96/97/352779697.db2.gz GXDQXSIPFXLTLQ-DCAQKATOSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCN2CC[C@H]1C2 575581258 352781912 /nfs/dbraw/zinc/78/19/12/352781912.db2.gz MWHMQIWOMJDGPD-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)[C@@H]1C 575581972 352784789 /nfs/dbraw/zinc/78/47/89/352784789.db2.gz AWNHGGGUSDTKRG-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@H+](CC(C)(C)N)[C@@H]1C 575581933 352784814 /nfs/dbraw/zinc/78/48/14/352784814.db2.gz ANXJVKDRFHNTPB-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[N@@H+](CC(C)(C)N)[C@@H]1C 575581933 352784815 /nfs/dbraw/zinc/78/48/15/352784815.db2.gz ANXJVKDRFHNTPB-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]([NH3+])CCN1C[C@H](C)[C@H]1C 575581987 352784822 /nfs/dbraw/zinc/78/48/22/352784822.db2.gz BIJRMCRGDDAYBU-XHNCKOQMSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]([NH3+])CCN1C[C@H](C)[C@@H]1C 575581979 352784861 /nfs/dbraw/zinc/78/48/61/352784861.db2.gz BIJRMCRGDDAYBU-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[N@H+](CC(C)(C)N)[C@@H]1C 575581932 352784898 /nfs/dbraw/zinc/78/48/98/352784898.db2.gz ANXJVKDRFHNTPB-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[N@@H+](CC(C)(C)N)[C@@H]1C 575581932 352784900 /nfs/dbraw/zinc/78/49/00/352784900.db2.gz ANXJVKDRFHNTPB-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[N@H+](CC(C)(C)N)[C@H]1C 575581936 352785008 /nfs/dbraw/zinc/78/50/08/352785008.db2.gz ANXJVKDRFHNTPB-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[N@@H+](CC(C)(C)N)[C@H]1C 575581936 352785011 /nfs/dbraw/zinc/78/50/11/352785011.db2.gz ANXJVKDRFHNTPB-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)[C@@H]1C 575581974 352785107 /nfs/dbraw/zinc/78/51/07/352785107.db2.gz AWNHGGGUSDTKRG-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]([NH3+])CCN1C[C@@H](C)[C@@H]1C 575581984 352785141 /nfs/dbraw/zinc/78/51/41/352785141.db2.gz BIJRMCRGDDAYBU-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1CC(C)(C)N 575581934 352785405 /nfs/dbraw/zinc/78/54/05/352785405.db2.gz ANXJVKDRFHNTPB-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1CC(C)(C)N 575581934 352785406 /nfs/dbraw/zinc/78/54/06/352785406.db2.gz ANXJVKDRFHNTPB-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)CN1C[C@@]1(C)CC[NH2+]C1 575581982 352785451 /nfs/dbraw/zinc/78/54/51/352785451.db2.gz AWNHGGGUSDTKRG-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H]([NH3+])CCN1C[C@H]1C[C@H]1C 575582011 352786001 /nfs/dbraw/zinc/78/60/01/352786001.db2.gz BIYMMBBMFGXUKS-UTINFBMNSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[C@@H]1CN1CC[C@@H]([NH3+])[C@H]1C 575582013 352786212 /nfs/dbraw/zinc/78/62/12/352786212.db2.gz BIYMMBBMFGXUKS-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1C[C@H]1C 575582010 352786330 /nfs/dbraw/zinc/78/63/30/352786330.db2.gz BIYMMBBMFGXUKS-RGOKHQFPSA-N 1 3 168.284 1.064 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1C[C@H](C)[C@@H]1C 575582184 352786614 /nfs/dbraw/zinc/78/66/14/352786614.db2.gz CKNHOUNDFOJXMU-XHNCKOQMSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@H+]1C[C@H](C)[C@@H]1C 575582184 352786616 /nfs/dbraw/zinc/78/66/16/352786616.db2.gz CKNHOUNDFOJXMU-XHNCKOQMSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@@H+]1C[C@H](C)[C@H]1C 575582186 352786660 /nfs/dbraw/zinc/78/66/60/352786660.db2.gz CKNHOUNDFOJXMU-YIZRAAEISA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@H+]1C[C@H](C)[C@H]1C 575582186 352786664 /nfs/dbraw/zinc/78/66/64/352786664.db2.gz CKNHOUNDFOJXMU-YIZRAAEISA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1C[C@@H](C)[C@H]1C 575582181 352786729 /nfs/dbraw/zinc/78/67/29/352786729.db2.gz CKNHOUNDFOJXMU-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@H+]1C[C@@H](C)[C@H]1C 575582181 352786731 /nfs/dbraw/zinc/78/67/31/352786731.db2.gz CKNHOUNDFOJXMU-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@@H+]1C[C@H](C)[C@@H]1C 575582174 352786744 /nfs/dbraw/zinc/78/67/44/352786744.db2.gz CKNHOUNDFOJXMU-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@H+]1C[C@H](C)[C@@H]1C 575582174 352786749 /nfs/dbraw/zinc/78/67/49/352786749.db2.gz CKNHOUNDFOJXMU-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1C[C@H](C)[C@H]1C 575582175 352786810 /nfs/dbraw/zinc/78/68/10/352786810.db2.gz CKNHOUNDFOJXMU-DJLDLDEBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@H+]1C[C@H](C)[C@H]1C 575582175 352786813 /nfs/dbraw/zinc/78/68/13/352786813.db2.gz CKNHOUNDFOJXMU-DJLDLDEBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1C[C@@H](C)[C@@H]1C 575582179 352786933 /nfs/dbraw/zinc/78/69/33/352786933.db2.gz CKNHOUNDFOJXMU-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](N)C[N@H+]1C[C@@H](C)[C@@H]1C 575582179 352786938 /nfs/dbraw/zinc/78/69/38/352786938.db2.gz CKNHOUNDFOJXMU-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@@H+]1C[C@@H](C)[C@H]1C 575582177 352787060 /nfs/dbraw/zinc/78/70/60/352787060.db2.gz CKNHOUNDFOJXMU-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@H+]1C[C@@H](C)[C@H]1C 575582177 352787063 /nfs/dbraw/zinc/78/70/63/352787063.db2.gz CKNHOUNDFOJXMU-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@@H+]1C[C@@H](C)[C@@H]1C 575582183 352787110 /nfs/dbraw/zinc/78/71/10/352787110.db2.gz CKNHOUNDFOJXMU-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@H](N)C[N@H+]1C[C@@H](C)[C@@H]1C 575582183 352787112 /nfs/dbraw/zinc/78/71/12/352787112.db2.gz CKNHOUNDFOJXMU-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1CC[C@H](C)[NH+]1CC1(C)CNC1 575582750 352789378 /nfs/dbraw/zinc/78/93/78/352789378.db2.gz HCBMJOGRCGFSIU-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC1(C)CNC1 575582749 352789395 /nfs/dbraw/zinc/78/93/95/352789395.db2.gz HCBMJOGRCGFSIU-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]1CC1(C)CNC1 575582748 352789404 /nfs/dbraw/zinc/78/94/04/352789404.db2.gz HCBMJOGRCGFSIU-AOOOYVTPSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]1CC1(C)CNC1 575582748 352789406 /nfs/dbraw/zinc/78/94/06/352789406.db2.gz HCBMJOGRCGFSIU-AOOOYVTPSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]1CC1CNC1 575582828 352789895 /nfs/dbraw/zinc/78/98/95/352789895.db2.gz HYJFBJJPCKBRCM-DTORHVGOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]1CC1CNC1 575582828 352789897 /nfs/dbraw/zinc/78/98/97/352789897.db2.gz HYJFBJJPCKBRCM-DTORHVGOSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CC[C@H](C)[NH+]1CC1CNC1 575582829 352790021 /nfs/dbraw/zinc/79/00/21/352790021.db2.gz HYJFBJJPCKBRCM-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC1CNC1 575582830 352790101 /nfs/dbraw/zinc/79/01/01/352790101.db2.gz HYJFBJJPCKBRCM-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H](N)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 575583160 352791255 /nfs/dbraw/zinc/79/12/55/352791255.db2.gz JGEKGENPXTWPOY-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1C[C@H]2CCCCC[C@@H]21 575583160 352791258 /nfs/dbraw/zinc/79/12/58/352791258.db2.gz JGEKGENPXTWPOY-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@@H+]1C[C@H]2CCCCC[C@H]21 575583155 352791400 /nfs/dbraw/zinc/79/14/00/352791400.db2.gz JGEKGENPXTWPOY-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1C[C@H]2CCCCC[C@H]21 575583155 352791402 /nfs/dbraw/zinc/79/14/02/352791402.db2.gz JGEKGENPXTWPOY-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 575583177 352792030 /nfs/dbraw/zinc/79/20/30/352792030.db2.gz JGEKGENPXTWPOY-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 575583177 352792031 /nfs/dbraw/zinc/79/20/31/352792031.db2.gz JGEKGENPXTWPOY-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 575583168 352792097 /nfs/dbraw/zinc/79/20/97/352792097.db2.gz JGEKGENPXTWPOY-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)C[N@H+]1C[C@@H]2CCCCC[C@H]21 575583168 352792099 /nfs/dbraw/zinc/79/20/99/352792099.db2.gz JGEKGENPXTWPOY-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 575583422 352792849 /nfs/dbraw/zinc/79/28/49/352792849.db2.gz KQCYPTWVGHBHFG-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@@H]2CCCC[C@@H]21 575583422 352792851 /nfs/dbraw/zinc/79/28/51/352792851.db2.gz KQCYPTWVGHBHFG-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@@H]2CCCC[C@H]21 575583423 352792892 /nfs/dbraw/zinc/79/28/92/352792892.db2.gz KQCYPTWVGHBHFG-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@@H]2CCCC[C@H]21 575583423 352792893 /nfs/dbraw/zinc/79/28/93/352792893.db2.gz KQCYPTWVGHBHFG-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@H]2CCCC[C@@H]21 575583424 352792903 /nfs/dbraw/zinc/79/29/03/352792903.db2.gz KQCYPTWVGHBHFG-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@H]2CCCC[C@@H]21 575583424 352792904 /nfs/dbraw/zinc/79/29/04/352792904.db2.gz KQCYPTWVGHBHFG-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@@H+]1C[C@H]2CCCC[C@H]21 575583421 352793045 /nfs/dbraw/zinc/79/30/45/352793045.db2.gz KQCYPTWVGHBHFG-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(N)C[N@H+]1C[C@H]2CCCC[C@H]21 575583421 352793048 /nfs/dbraw/zinc/79/30/48/352793048.db2.gz KQCYPTWVGHBHFG-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C[N@@H+]2CCC2(C)C)CNC1 575583725 352793610 /nfs/dbraw/zinc/79/36/10/352793610.db2.gz MALZEEAZLXEMME-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CC1(C[N@H+]2CCC2(C)C)CNC1 575583725 352793612 /nfs/dbraw/zinc/79/36/12/352793612.db2.gz MALZEEAZLXEMME-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[C@H](C)CN1C[C@H]1CCC[NH2+]C1 575583724 352793720 /nfs/dbraw/zinc/79/37/20/352793720.db2.gz LZWGEDOVQNBYFG-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1CCCNC1 575583724 352793722 /nfs/dbraw/zinc/79/37/22/352793722.db2.gz LZWGEDOVQNBYFG-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCCNC1 575583724 352793724 /nfs/dbraw/zinc/79/37/24/352793724.db2.gz LZWGEDOVQNBYFG-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H]1C 575583492 352793766 /nfs/dbraw/zinc/79/37/66/352793766.db2.gz LZWGEDOVQNBYFG-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@H+](C[C@H]2CCCNC2)[C@@H]1C 575583492 352793768 /nfs/dbraw/zinc/79/37/68/352793768.db2.gz LZWGEDOVQNBYFG-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@@H+](C[C@H]2CCCNC2)[C@@H]1C 575583492 352793771 /nfs/dbraw/zinc/79/37/71/352793771.db2.gz LZWGEDOVQNBYFG-AXFHLTTASA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CN(C[C@H]2CCC[NH2+]C2)[C@H]1C 575583493 352793877 /nfs/dbraw/zinc/79/38/77/352793877.db2.gz LZWGEDOVQNBYFG-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@H+](C[C@H]2CCCNC2)[C@H]1C 575583493 352793880 /nfs/dbraw/zinc/79/38/80/352793880.db2.gz LZWGEDOVQNBYFG-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@@H+](C[C@H]2CCCNC2)[C@H]1C 575583493 352793881 /nfs/dbraw/zinc/79/38/81/352793881.db2.gz LZWGEDOVQNBYFG-DCAQKATOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H]1C 575583520 352793894 /nfs/dbraw/zinc/79/38/94/352793894.db2.gz LZWGEDOVQNBYFG-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)[C@@H]1C 575583520 352793897 /nfs/dbraw/zinc/79/38/97/352793897.db2.gz LZWGEDOVQNBYFG-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)[C@@H]1C 575583520 352793898 /nfs/dbraw/zinc/79/38/98/352793898.db2.gz LZWGEDOVQNBYFG-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1C[N@H+](CC2(N)CCC2)[C@@H]1C 575583838 352794488 /nfs/dbraw/zinc/79/44/88/352794488.db2.gz QIWUIZGDVYZQBK-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(N)CCC2)[C@@H]1C 575583838 352794490 /nfs/dbraw/zinc/79/44/90/352794490.db2.gz QIWUIZGDVYZQBK-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@H+](CC2(N)CCC2)[C@H]1C 575583839 352794553 /nfs/dbraw/zinc/79/45/53/352794553.db2.gz QIWUIZGDVYZQBK-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(N)CCC2)[C@H]1C 575583839 352794554 /nfs/dbraw/zinc/79/45/54/352794554.db2.gz QIWUIZGDVYZQBK-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1CC1(N)CCC1 575583837 352794579 /nfs/dbraw/zinc/79/45/79/352794579.db2.gz QIWUIZGDVYZQBK-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1CC1(N)CCC1 575583837 352794582 /nfs/dbraw/zinc/79/45/82/352794582.db2.gz QIWUIZGDVYZQBK-BDAKNGLRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(N)CCC2)[C@@H]1C 575583840 352794597 /nfs/dbraw/zinc/79/45/97/352794597.db2.gz QIWUIZGDVYZQBK-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(N)CCC2)[C@@H]1C 575583840 352794599 /nfs/dbraw/zinc/79/45/99/352794599.db2.gz QIWUIZGDVYZQBK-RKDXNWHRSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN1CCC1(C)C 575583875 352794987 /nfs/dbraw/zinc/79/49/87/352794987.db2.gz NFKUDCBZELTGGK-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C[N@H+]1C[C@H](C)[C@H]1C)=C1CNC1 575583900 352795032 /nfs/dbraw/zinc/79/50/32/352795032.db2.gz NQBOBJWAHMBPON-WCBMZHEXSA-N 1 3 180.295 1.246 10 0 ADAEHO CC(C[N@@H+]1C[C@H](C)[C@H]1C)=C1CNC1 575583900 352795033 /nfs/dbraw/zinc/79/50/33/352795033.db2.gz NQBOBJWAHMBPON-WCBMZHEXSA-N 1 3 180.295 1.246 10 0 ADAEHO CC1(C)CC[N@@H+]1CC1(N)CCCC1 575583870 352795048 /nfs/dbraw/zinc/79/50/48/352795048.db2.gz NCXWOQFOXVWAGT-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC1(C)CC[N@H+]1CC1(N)CCCC1 575583870 352795049 /nfs/dbraw/zinc/79/50/49/352795049.db2.gz NCXWOQFOXVWAGT-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC(C[N@H+]1C[C@@H](C)[C@H]1C)=C1CNC1 575583894 352795078 /nfs/dbraw/zinc/79/50/78/352795078.db2.gz NQBOBJWAHMBPON-PSASIEDQSA-N 1 3 180.295 1.246 10 0 ADAEHO CC(C[N@@H+]1C[C@@H](C)[C@H]1C)=C1CNC1 575583894 352795081 /nfs/dbraw/zinc/79/50/81/352795081.db2.gz NQBOBJWAHMBPON-PSASIEDQSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN1CCC1(C)C 575583872 352795104 /nfs/dbraw/zinc/79/51/04/352795104.db2.gz NFKUDCBZELTGGK-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C[N@H+]1C[C@H](C)[C@@H]1C)=C1CNC1 575583903 352795109 /nfs/dbraw/zinc/79/51/09/352795109.db2.gz NQBOBJWAHMBPON-WPRPVWTQSA-N 1 3 180.295 1.246 10 0 ADAEHO CC(C[N@@H+]1C[C@H](C)[C@@H]1C)=C1CNC1 575583903 352795111 /nfs/dbraw/zinc/79/51/11/352795111.db2.gz NQBOBJWAHMBPON-WPRPVWTQSA-N 1 3 180.295 1.246 10 0 ADAEHO CC(C[N@H+]1C[C@@H](C)[C@@H]1C)=C1CNC1 575583897 352795136 /nfs/dbraw/zinc/79/51/36/352795136.db2.gz NQBOBJWAHMBPON-SCZZXKLOSA-N 1 3 180.295 1.246 10 0 ADAEHO CC(C[N@@H+]1C[C@@H](C)[C@@H]1C)=C1CNC1 575583897 352795138 /nfs/dbraw/zinc/79/51/38/352795138.db2.gz NQBOBJWAHMBPON-SCZZXKLOSA-N 1 3 180.295 1.246 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CCC1(C)C 575583874 352795339 /nfs/dbraw/zinc/79/53/39/352795339.db2.gz NFKUDCBZELTGGK-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCC1(C)C 575583873 352795446 /nfs/dbraw/zinc/79/54/46/352795446.db2.gz NFKUDCBZELTGGK-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1C[C@@H](C)[C@H]1C 575584394 352796535 /nfs/dbraw/zinc/79/65/35/352796535.db2.gz PYECYYHWNBZZPM-GWOFURMSSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1C[C@@H](C)[C@@H]1C 575584392 352796547 /nfs/dbraw/zinc/79/65/47/352796547.db2.gz PYECYYHWNBZZPM-CHWFTXMASA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@H]1CN(C[C@H]2C[NH2+]C[C@H]2C)[C@H]1C 575584397 352796640 /nfs/dbraw/zinc/79/66/40/352796640.db2.gz PYECYYHWNBZZPM-VPOLOUISSA-N 1 3 182.311 1.182 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1C[C@H](C)[C@H]1C 575584395 352796675 /nfs/dbraw/zinc/79/66/75/352796675.db2.gz PYECYYHWNBZZPM-LMLFDSFASA-N 1 3 182.311 1.182 10 0 ADAEHO CC1(C[N@@H+]2C[C@@H]3CCC[C@H]32)CNC1 575584764 352798327 /nfs/dbraw/zinc/79/83/27/352798327.db2.gz QFWGKYWBEBAPGV-VHSXEESVSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@H+]2C[C@@H]3CCC[C@H]32)CNC1 575584764 352798330 /nfs/dbraw/zinc/79/83/30/352798330.db2.gz QFWGKYWBEBAPGV-VHSXEESVSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]32)CNC1 575584763 352798390 /nfs/dbraw/zinc/79/83/90/352798390.db2.gz QFWGKYWBEBAPGV-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@H+]2C[C@@H]3CCC[C@@H]32)CNC1 575584763 352798391 /nfs/dbraw/zinc/79/83/91/352798391.db2.gz QFWGKYWBEBAPGV-UWVGGRQHSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@@H+]2C[C@H]3CCC[C@H]32)CNC1 575584762 352798405 /nfs/dbraw/zinc/79/84/05/352798405.db2.gz QFWGKYWBEBAPGV-NXEZZACHSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@H+]2C[C@H]3CCC[C@H]32)CNC1 575584762 352798408 /nfs/dbraw/zinc/79/84/08/352798408.db2.gz QFWGKYWBEBAPGV-NXEZZACHSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 575584810 352798875 /nfs/dbraw/zinc/79/88/75/352798875.db2.gz RGCJAQPRBUHMNO-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1C 575584805 352798898 /nfs/dbraw/zinc/79/88/98/352798898.db2.gz RGCJAQPRBUHMNO-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C1C[C@H]2CN(C[C@@H]3CC[NH2+]C3)[C@H]2C1 575584842 352798949 /nfs/dbraw/zinc/79/89/49/352798949.db2.gz RPNGZESLNOUXAR-VWYCJHECSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@@H+]2C[C@H]3CCC[C@@H]32)CNC1 575584765 352799064 /nfs/dbraw/zinc/79/90/64/352799064.db2.gz QFWGKYWBEBAPGV-ZJUUUORDSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C[N@H+]2C[C@H]3CCC[C@@H]32)CNC1 575584765 352799069 /nfs/dbraw/zinc/79/90/69/352799069.db2.gz QFWGKYWBEBAPGV-ZJUUUORDSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@H]1CN(C[C@@H]2CCC[C@@H]2[NH3+])[C@H]1C 575584806 352799089 /nfs/dbraw/zinc/79/90/89/352799089.db2.gz RGCJAQPRBUHMNO-NAKRPEOUSA-N 1 3 182.311 1.454 10 0 ADAEHO C1C[C@H]2CN(C[C@@H]3CC[NH2+]C3)[C@@H]2C1 575584841 352799355 /nfs/dbraw/zinc/79/93/55/352799355.db2.gz RPNGZESLNOUXAR-OUAUKWLOSA-N 1 3 180.295 1.080 10 0 ADAEHO C1C[C@H]2CN(C[C@H]3CC[NH2+]C3)[C@@H]2C1 575584840 352799313 /nfs/dbraw/zinc/79/93/13/352799313.db2.gz RPNGZESLNOUXAR-GARJFASQSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@H]1CN(C[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 575584808 352799327 /nfs/dbraw/zinc/79/93/27/352799327.db2.gz RGCJAQPRBUHMNO-VLEAKVRGSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CN1C[C@@H]1CCC[C@@H]1[NH3+] 575584807 352799385 /nfs/dbraw/zinc/79/93/85/352799385.db2.gz RGCJAQPRBUHMNO-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO C1C[C@H]2CN(C[C@H]3CC[NH2+]C3)[C@H]2C1 575584839 352799450 /nfs/dbraw/zinc/79/94/50/352799450.db2.gz RPNGZESLNOUXAR-DCAQKATOSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@H]1[C@H](C)CN1C[C@@H]1CCC[C@H]1[NH3+] 575584809 352799465 /nfs/dbraw/zinc/79/94/65/352799465.db2.gz RGCJAQPRBUHMNO-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN(C2(C[NH3+])CCCC2)[C@@H]1C 575584991 352799792 /nfs/dbraw/zinc/79/97/92/352799792.db2.gz RUWKKRYYGBDNJA-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C1CNCC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575584989 352799830 /nfs/dbraw/zinc/79/98/30/352799830.db2.gz RSTMEYRTOSGWPY-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CNCC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575584989 352799832 /nfs/dbraw/zinc/79/98/32/352799832.db2.gz RSTMEYRTOSGWPY-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@H]1[C@H](C)CN1C1(C[NH3+])CCCC1 575584994 352800029 /nfs/dbraw/zinc/80/00/29/352800029.db2.gz RUWKKRYYGBDNJA-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C1CNCC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575584988 352800040 /nfs/dbraw/zinc/80/00/40/352800040.db2.gz RSTMEYRTOSGWPY-HBNTYKKESA-N 1 3 180.295 1.223 10 0 ADAEHO C1CNCC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575584988 352800045 /nfs/dbraw/zinc/80/00/45/352800045.db2.gz RSTMEYRTOSGWPY-HBNTYKKESA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@H]1CN(C2(C[NH3+])CCCC2)[C@H]1C 575584992 352800259 /nfs/dbraw/zinc/80/02/59/352800259.db2.gz RUWKKRYYGBDNJA-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CN(C2(C[NH3+])CCCC2)[C@@H]1C 575584993 352800168 /nfs/dbraw/zinc/80/01/68/352800168.db2.gz RUWKKRYYGBDNJA-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN1CCC1(C)C 575585062 352800847 /nfs/dbraw/zinc/80/08/47/352800847.db2.gz UBGKQSREPNOFNH-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1C[N@H+](CC2(N)CCCC2)[C@@H]1C 575585057 352800888 /nfs/dbraw/zinc/80/08/88/352800888.db2.gz UBBFTMBKQVYNJF-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@@H+](CC2(N)CCCC2)[C@@H]1C 575585057 352800890 /nfs/dbraw/zinc/80/08/90/352800890.db2.gz UBBFTMBKQVYNJF-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC1(C)C 575585061 352800919 /nfs/dbraw/zinc/80/09/19/352800919.db2.gz UBGKQSREPNOFNH-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@H](N)C[N@@H+]1CCC1(C)C 575585079 352800993 /nfs/dbraw/zinc/80/09/93/352800993.db2.gz UGFKVVHQFKGYHG-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](N)C[N@H+]1CCC1(C)C 575585079 352800996 /nfs/dbraw/zinc/80/09/96/352800996.db2.gz UGFKVVHQFKGYHG-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN1CCC1(C)C 575585063 352801017 /nfs/dbraw/zinc/80/10/17/352801017.db2.gz UBGKQSREPNOFNH-VHSXEESVSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1CC1(N)CCCC1 575585060 352801069 /nfs/dbraw/zinc/80/10/69/352801069.db2.gz UBBFTMBKQVYNJF-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1CC1(N)CCCC1 575585060 352801073 /nfs/dbraw/zinc/80/10/73/352801073.db2.gz UBBFTMBKQVYNJF-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[N@H+](CC2(N)CCCC2)[C@H]1C 575585058 352801087 /nfs/dbraw/zinc/80/10/87/352801087.db2.gz UBBFTMBKQVYNJF-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN([C@]2(C[NH3+])CC[C@H]2C)[C@@H]1C 575585092 352801118 /nfs/dbraw/zinc/80/11/18/352801118.db2.gz ULLPRMOIYGMXDG-DBIOUOCHSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[N@@H+](CC2(N)CCCC2)[C@@H]1C 575585059 352801168 /nfs/dbraw/zinc/80/11/68/352801168.db2.gz UBBFTMBKQVYNJF-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](N)C[N@@H+]1CCC1(C)C 575585080 352801220 /nfs/dbraw/zinc/80/12/20/352801220.db2.gz UGFKVVHQFKGYHG-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](N)C[N@H+]1CCC1(C)C 575585080 352801224 /nfs/dbraw/zinc/80/12/24/352801224.db2.gz UGFKVVHQFKGYHG-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC1(C)C 575585064 352801257 /nfs/dbraw/zinc/80/12/57/352801257.db2.gz UBGKQSREPNOFNH-ZJUUUORDSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1(C)CCN1C[C@@H]1CC[NH2+]C1 575585409 352801656 /nfs/dbraw/zinc/80/16/56/352801656.db2.gz UULBYFDCXPTOFJ-SECBINFHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@]1(C[NH3+])CC[C@@H]1C 575585379 352801760 /nfs/dbraw/zinc/80/17/60/352801760.db2.gz ULLPRMOIYGMXDG-RCWTZXSCSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)CCN1C[C@H]1CC[NH2+]C1 575585412 352801803 /nfs/dbraw/zinc/80/18/03/352801803.db2.gz UULBYFDCXPTOFJ-VIFPVBQESA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1CC[C@@]1(C[NH3+])N1C[C@@H](C)[C@H]1C 575585382 352802064 /nfs/dbraw/zinc/80/20/64/352802064.db2.gz ULLPRMOIYGMXDG-YTWAJWBKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@]1(C[NH3+])CC[C@H]1C 575585385 352802158 /nfs/dbraw/zinc/80/21/58/352802158.db2.gz ULLPRMOIYGMXDG-ZNSHCXBVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]([NH3+])CCN1CCC1(C)C 575585476 352802612 /nfs/dbraw/zinc/80/26/12/352802612.db2.gz VJAGAXILFDBNNM-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]([NH3+])CCN1CCC1(C)C 575585471 352802735 /nfs/dbraw/zinc/80/27/35/352802735.db2.gz VJAGAXILFDBNNM-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1(C)CCN1C[C@]12C[NH2+]C[C@H]1C2 575585504 352802864 /nfs/dbraw/zinc/80/28/64/352802864.db2.gz VODFXMFPILBLMK-KOLCDFICSA-N 1 3 180.295 1.080 10 0 ADAEHO CC1(C)CCN1C[C@@]12C[NH2+]C[C@@H]1C2 575585503 352802874 /nfs/dbraw/zinc/80/28/74/352802874.db2.gz VODFXMFPILBLMK-GXSJLCMTSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C)CCN1 575585699 352803150 /nfs/dbraw/zinc/80/31/50/352803150.db2.gz KTQPEMTWVIZRQX-ZYUZMQFOSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C)CC[NH2+]1 575585699 352803152 /nfs/dbraw/zinc/80/31/52/352803152.db2.gz KTQPEMTWVIZRQX-ZYUZMQFOSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@H]1C[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 575585698 352803263 /nfs/dbraw/zinc/80/32/63/352803263.db2.gz KTQPEMTWVIZRQX-SGIHWFKDSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@H]1C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 575585698 352803265 /nfs/dbraw/zinc/80/32/65/352803265.db2.gz KTQPEMTWVIZRQX-SGIHWFKDSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@H]1C[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 575585696 352803368 /nfs/dbraw/zinc/80/33/68/352803368.db2.gz KTQPEMTWVIZRQX-JLIMGVALSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@H]1C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 575585696 352803370 /nfs/dbraw/zinc/80/33/70/352803370.db2.gz KTQPEMTWVIZRQX-JLIMGVALSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)CCN1 575585697 352803432 /nfs/dbraw/zinc/80/34/32/352803432.db2.gz KTQPEMTWVIZRQX-KYXWUPHJSA-N 1 3 168.284 1.125 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2C)CC[NH2+]1 575585697 352803437 /nfs/dbraw/zinc/80/34/37/352803437.db2.gz KTQPEMTWVIZRQX-KYXWUPHJSA-N 1 3 168.284 1.125 10 0 ADAEHO CC1(C)CC[N@@H+]1CC1(N)CCC1 575585728 352804059 /nfs/dbraw/zinc/80/40/59/352804059.db2.gz WRLOZFUHWWJQMW-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC1(C)CC[N@H+]1CC1(N)CCC1 575585728 352804064 /nfs/dbraw/zinc/80/40/64/352804064.db2.gz WRLOZFUHWWJQMW-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H]1C[C@]1(C)N1CCC([NH3+])CC1 575585764 352804193 /nfs/dbraw/zinc/80/41/93/352804193.db2.gz MWJZUIUYWPJOBO-SCZZXKLOSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@]1(C)N1CCC([NH3+])CC1 575585767 352804289 /nfs/dbraw/zinc/80/42/89/352804289.db2.gz MWJZUIUYWPJOBO-WPRPVWTQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[C@@]1(C)N1CCC([NH3+])CC1 575585763 352804355 /nfs/dbraw/zinc/80/43/55/352804355.db2.gz MWJZUIUYWPJOBO-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@@]1(C)N1CCC([NH3+])CC1 575585765 352804370 /nfs/dbraw/zinc/80/43/70/352804370.db2.gz MWJZUIUYWPJOBO-WCBMZHEXSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1C[C@]1(C)[N@@H+]1CC[C@@H](N)C[C@H]1C 575585898 352804775 /nfs/dbraw/zinc/80/47/75/352804775.db2.gz PEXIOMPFOSYFIU-ZDCRXTMVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@]1(C)[N@H+]1CC[C@@H](N)C[C@H]1C 575585898 352804776 /nfs/dbraw/zinc/80/47/76/352804776.db2.gz PEXIOMPFOSYFIU-ZDCRXTMVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@]1(C)N1CC[C@@H]([NH3+])C[C@H]1C 575585898 352804781 /nfs/dbraw/zinc/80/47/81/352804781.db2.gz PEXIOMPFOSYFIU-ZDCRXTMVSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@]1(C)[N@@H+]1CC[C@@H](N)C[C@H]1C 575585897 352804904 /nfs/dbraw/zinc/80/49/04/352804904.db2.gz PEXIOMPFOSYFIU-LNFKQOIKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@]1(C)[N@H+]1CC[C@@H](N)C[C@H]1C 575585897 352804906 /nfs/dbraw/zinc/80/49/06/352804906.db2.gz PEXIOMPFOSYFIU-LNFKQOIKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@@]1(C)N1CC[C@@H]([NH3+])C[C@H]1C 575585897 352804911 /nfs/dbraw/zinc/80/49/11/352804911.db2.gz PEXIOMPFOSYFIU-LNFKQOIKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@]1(C)C[C@H]1C 575585896 352805401 /nfs/dbraw/zinc/80/54/01/352805401.db2.gz PEXIOMPFOSYFIU-GWOFURMSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@]1(C)C[C@H]1C 575585896 352805404 /nfs/dbraw/zinc/80/54/04/352805404.db2.gz PEXIOMPFOSYFIU-GWOFURMSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@]1(C)C[C@H]1C 575585896 352805408 /nfs/dbraw/zinc/80/54/08/352805408.db2.gz PEXIOMPFOSYFIU-GWOFURMSSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@]1(C)C[C@H]1C 575585895 352805497 /nfs/dbraw/zinc/80/54/97/352805497.db2.gz PEXIOMPFOSYFIU-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@]1(C)C[C@H]1C 575585895 352805498 /nfs/dbraw/zinc/80/54/98/352805498.db2.gz PEXIOMPFOSYFIU-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@]1(C)C[C@H]1C 575585895 352805500 /nfs/dbraw/zinc/80/55/00/352805500.db2.gz PEXIOMPFOSYFIU-DBIOUOCHSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C[N@@H+]1CCC1(C)C)=C1CNC1 575586017 352806327 /nfs/dbraw/zinc/80/63/27/352806327.db2.gz ZIJUXQBGUPBNKR-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO CC(C[N@H+]1CCC1(C)C)=C1CNC1 575586017 352806329 /nfs/dbraw/zinc/80/63/29/352806329.db2.gz ZIJUXQBGUPBNKR-UHFFFAOYSA-N 1 3 180.295 1.390 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN1C[C@@H](C)[C@H]1C 575586157 352806581 /nfs/dbraw/zinc/80/65/81/352806581.db2.gz ZSEHOURHKZCGCY-DBIOUOCHSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1[C@H](C)CN1C[C@@H]1CC[NH2+][C@@H]1C 575586164 352806932 /nfs/dbraw/zinc/80/69/32/352806932.db2.gz ZSEHOURHKZCGCY-ZNSHCXBVSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1C[C@@H](C)[C@@H]1C 575586158 352807002 /nfs/dbraw/zinc/80/70/02/352807002.db2.gz ZSEHOURHKZCGCY-RCWTZXSCSA-N 1 3 182.311 1.325 10 0 ADAEHO C1CC(N2CC(C3CC3)C2)CC[NH2+]1 575586232 352807006 /nfs/dbraw/zinc/80/70/06/352807006.db2.gz AHJMFDFVIGFDLN-UHFFFAOYSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC([NH+]2CC(C3CC3)C2)CCN1 575586232 352807008 /nfs/dbraw/zinc/80/70/08/352807008.db2.gz AHJMFDFVIGFDLN-UHFFFAOYSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1C[C@@H](C)[C@H]1C 575586163 352807016 /nfs/dbraw/zinc/80/70/16/352807016.db2.gz ZSEHOURHKZCGCY-YTWAJWBKSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1C[C@@]1(C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 575586427 352807722 /nfs/dbraw/zinc/80/77/22/352807722.db2.gz ZYTKKKQYZPNHHR-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@]2(C)C[C@H]2C)CC[C@H]1N 575586426 352807400 /nfs/dbraw/zinc/80/74/00/352807400.db2.gz ZYTKKKQYZPNHHR-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@]2(C)C[C@H]2C)CC[C@H]1N 575586426 352807401 /nfs/dbraw/zinc/80/74/01/352807401.db2.gz ZYTKKKQYZPNHHR-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN([C@]2(C)C[C@H]2C)CC[C@H]1[NH3+] 575586426 352807403 /nfs/dbraw/zinc/80/74/03/352807403.db2.gz ZYTKKKQYZPNHHR-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@]1(C)[N@@H+]1CC[C@H](N)[C@H](C)C1 575586429 352807547 /nfs/dbraw/zinc/80/75/47/352807547.db2.gz ZYTKKKQYZPNHHR-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@]1(C)[N@H+]1CC[C@H](N)[C@H](C)C1 575586429 352807549 /nfs/dbraw/zinc/80/75/49/352807549.db2.gz ZYTKKKQYZPNHHR-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@]1(C)N1CC[C@H]([NH3+])[C@H](C)C1 575586429 352807550 /nfs/dbraw/zinc/80/75/50/352807550.db2.gz ZYTKKKQYZPNHHR-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@]1(C)[N@H+]1CC[C@@H](N)[C@H](C)C1 575586427 352807725 /nfs/dbraw/zinc/80/77/25/352807725.db2.gz ZYTKKKQYZPNHHR-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[C@@]1(C)N1CC[C@@H]([NH3+])[C@H](C)C1 575586427 352807727 /nfs/dbraw/zinc/80/77/27/352807727.db2.gz ZYTKKKQYZPNHHR-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@]2(C)C[C@H]2C)CC[C@@H]1N 575586425 352807768 /nfs/dbraw/zinc/80/77/68/352807768.db2.gz ZYTKKKQYZPNHHR-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@]2(C)C[C@H]2C)CC[C@@H]1N 575586425 352807771 /nfs/dbraw/zinc/80/77/71/352807771.db2.gz ZYTKKKQYZPNHHR-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1CN([C@]2(C)C[C@H]2C)CC[C@@H]1[NH3+] 575586425 352807773 /nfs/dbraw/zinc/80/77/73/352807773.db2.gz ZYTKKKQYZPNHHR-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO N[C@H]1CCC[C@H]1[NH+]1CC(C2CC2)C1 575586532 352808165 /nfs/dbraw/zinc/80/81/65/352808165.db2.gz DSFWJWHZKJXQGG-WDEREUQCSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CC2(C)C)C[C@@H]1[NH3+] 575586548 352808238 /nfs/dbraw/zinc/80/82/38/352808238.db2.gz FENOXFMKYKHPAT-UTLUCORTSA-N 1 3 182.311 1.312 10 0 ADAEHO N[C@@H]1CCC[C@H]1[NH+]1CC(C2CC2)C1 575586529 352808344 /nfs/dbraw/zinc/80/83/44/352808344.db2.gz DSFWJWHZKJXQGG-GHMZBOCLSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CN(C[C@H]2CC2(C)C)C[C@@H]1[NH3+] 575586545 352808355 /nfs/dbraw/zinc/80/83/55/352808355.db2.gz FENOXFMKYKHPAT-BBBLOLIVSA-N 1 3 182.311 1.312 10 0 ADAEHO N[C@@H]1CCC[C@@H]1[NH+]1CC(C2CC2)C1 575586530 352808372 /nfs/dbraw/zinc/80/83/72/352808372.db2.gz DSFWJWHZKJXQGG-MNOVXSKESA-N 1 3 180.295 1.208 10 0 ADAEHO N[C@H]1CCC[C@@H]1[NH+]1CC(C2CC2)C1 575586531 352808397 /nfs/dbraw/zinc/80/83/97/352808397.db2.gz DSFWJWHZKJXQGG-QWRGUYRKSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CC2(C)C)C[C@H]1[NH3+] 575586546 352808445 /nfs/dbraw/zinc/80/84/45/352808445.db2.gz FENOXFMKYKHPAT-KXUCPTDWSA-N 1 3 182.311 1.312 10 0 ADAEHO C1C[C@@H]([NH2+][C@H]2CCNC2)C2(C1)CC2 575586949 352809566 /nfs/dbraw/zinc/80/95/66/352809566.db2.gz FBAUMQCDSOULPB-VHSXEESVSA-N 1 3 180.295 1.271 10 0 ADAEHO C1C[C@H]([NH2+][C@@H]2CCNC2)C2(C1)CC2 575586950 352809827 /nfs/dbraw/zinc/80/98/27/352809827.db2.gz FBAUMQCDSOULPB-ZJUUUORDSA-N 1 3 180.295 1.271 10 0 ADAEHO C1C[C@@H]([NH2+][C@@H]2CCNC2)C2(C1)CC2 575586944 352809903 /nfs/dbraw/zinc/80/99/03/352809903.db2.gz FBAUMQCDSOULPB-NXEZZACHSA-N 1 3 180.295 1.271 10 0 ADAEHO C1C[C@H]([NH2+][C@H]2CCNC2)C2(C1)CC2 575586945 352809928 /nfs/dbraw/zinc/80/99/28/352809928.db2.gz FBAUMQCDSOULPB-UWVGGRQHSA-N 1 3 180.295 1.271 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CC[C@H]1C[NH3+] 575587081 352810362 /nfs/dbraw/zinc/81/03/62/352810362.db2.gz GDZSAYZUTJNRCZ-XFWSIPNHSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CC[C@H]1CN 575587081 352810365 /nfs/dbraw/zinc/81/03/65/352810365.db2.gz GDZSAYZUTJNRCZ-XFWSIPNHSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@H]2C[NH3+])[C@@H]1C 575587077 352810464 /nfs/dbraw/zinc/81/04/64/352810464.db2.gz GDZSAYZUTJNRCZ-DOLQZWNJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2CN)[C@@H]1C 575587077 352810470 /nfs/dbraw/zinc/81/04/70/352810470.db2.gz GDZSAYZUTJNRCZ-DOLQZWNJSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CC[C@@H]1C[NH3+] 575587079 352810565 /nfs/dbraw/zinc/81/05/65/352810565.db2.gz GDZSAYZUTJNRCZ-UTINFBMNSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CC[C@@H]1CN 575587079 352810567 /nfs/dbraw/zinc/81/05/67/352810567.db2.gz GDZSAYZUTJNRCZ-UTINFBMNSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@@H]1CN 575587079 352810570 /nfs/dbraw/zinc/81/05/70/352810570.db2.gz GDZSAYZUTJNRCZ-UTINFBMNSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@@H]2C[NH3+])[C@@H]1C 575587086 352810663 /nfs/dbraw/zinc/81/06/63/352810663.db2.gz GDZSAYZUTJNRCZ-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 575587086 352810665 /nfs/dbraw/zinc/81/06/65/352810665.db2.gz GDZSAYZUTJNRCZ-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]2CN)[C@@H]1C 575587086 352810666 /nfs/dbraw/zinc/81/06/66/352810666.db2.gz GDZSAYZUTJNRCZ-ZYUZMQFOSA-N 1 3 168.284 1.064 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N2CC(C3CC3)C2)C1 575587142 352811027 /nfs/dbraw/zinc/81/10/27/352811027.db2.gz LNMRTTKNZPKNOI-GHMZBOCLSA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CC(C3CC3)C2)C1 575587144 352811191 /nfs/dbraw/zinc/81/11/91/352811191.db2.gz LNMRTTKNZPKNOI-MNOVXSKESA-N 1 3 180.295 1.208 10 0 ADAEHO [NH3+][C@H]1CC[C@H](N2CC(C3CC3)C2)C1 575587151 352811275 /nfs/dbraw/zinc/81/12/75/352811275.db2.gz LNMRTTKNZPKNOI-QWRGUYRKSA-N 1 3 180.295 1.208 10 0 ADAEHO CC(C)(N)C[N@@H+]1CCC12CCC2 575587288 352812027 /nfs/dbraw/zinc/81/20/27/352812027.db2.gz IKXYQKUTLGFBRI-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC(C)(N)C[N@H+]1CCC12CCC2 575587288 352812031 /nfs/dbraw/zinc/81/20/31/352812031.db2.gz IKXYQKUTLGFBRI-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC1(C)CC[N@@H+]1C1CCNCC1 575587491 352812641 /nfs/dbraw/zinc/81/26/41/352812641.db2.gz IRMKWVWFQKFTFS-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)CC[N@H+]1C1CCNCC1 575587491 352812644 /nfs/dbraw/zinc/81/26/44/352812644.db2.gz IRMKWVWFQKFTFS-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)CCN1C1CC[NH2+]CC1 575587491 352812648 /nfs/dbraw/zinc/81/26/48/352812648.db2.gz IRMKWVWFQKFTFS-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CC(C)(C[NH3+])N1C[C@H]2CCCC[C@H]21 575587484 352812731 /nfs/dbraw/zinc/81/27/31/352812731.db2.gz IPWDFEMGQKVVTI-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(C[NH3+])N1C[C@@H]2CCCC[C@H]21 575587488 352812743 /nfs/dbraw/zinc/81/27/43/352812743.db2.gz IPWDFEMGQKVVTI-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(C[NH3+])N1C[C@H]2CCCC[C@@H]21 575587489 352812758 /nfs/dbraw/zinc/81/27/58/352812758.db2.gz IPWDFEMGQKVVTI-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(C[NH3+])N1C[C@@H]2CCCC[C@@H]21 575587487 352812852 /nfs/dbraw/zinc/81/28/52/352812852.db2.gz IPWDFEMGQKVVTI-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@H]1CCC[C@@H]1CN 575587970 352814826 /nfs/dbraw/zinc/81/48/26/352814826.db2.gz KQDDOTMQBBCSGV-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]1[C@H]1CCC[C@@H]1CN 575587970 352814830 /nfs/dbraw/zinc/81/48/30/352814830.db2.gz KQDDOTMQBBCSGV-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@@H]1CCC[C@@H]1CN 575587962 352814854 /nfs/dbraw/zinc/81/48/54/352814854.db2.gz KQDDOTMQBBCSGV-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]1[C@@H]1CCC[C@@H]1CN 575587962 352814859 /nfs/dbraw/zinc/81/48/59/352814859.db2.gz KQDDOTMQBBCSGV-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@H]1CCC[C@H]1CN 575587965 352814868 /nfs/dbraw/zinc/81/48/68/352814868.db2.gz KQDDOTMQBBCSGV-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]1[C@H]1CCC[C@H]1CN 575587965 352814869 /nfs/dbraw/zinc/81/48/69/352814869.db2.gz KQDDOTMQBBCSGV-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@@H]1CCC[C@H]1CN 575587967 352814984 /nfs/dbraw/zinc/81/49/84/352814984.db2.gz KQDDOTMQBBCSGV-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]1[C@@H]1CCC[C@H]1CN 575587967 352814985 /nfs/dbraw/zinc/81/49/85/352814985.db2.gz KQDDOTMQBBCSGV-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2CN)[C@@H]1C 575588105 352815830 /nfs/dbraw/zinc/81/58/30/352815830.db2.gz COTAWFLHDQFUOS-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2CN)[C@@H]1C 575588105 352815832 /nfs/dbraw/zinc/81/58/32/352815832.db2.gz COTAWFLHDQFUOS-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[C@H]1CN 575588111 352815885 /nfs/dbraw/zinc/81/58/85/352815885.db2.gz COTAWFLHDQFUOS-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H]1CN 575588111 352815888 /nfs/dbraw/zinc/81/58/88/352815888.db2.gz COTAWFLHDQFUOS-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CCN1[C@@]1(C[NH3+])C[C@@H](C)[C@H]1C 575588102 352815925 /nfs/dbraw/zinc/81/59/25/352815925.db2.gz CNDCFLQVKYUSIW-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[C@@H]1CN 575588109 352815951 /nfs/dbraw/zinc/81/59/51/352815951.db2.gz COTAWFLHDQFUOS-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@@H]1CN 575588109 352815952 /nfs/dbraw/zinc/81/59/52/352815952.db2.gz COTAWFLHDQFUOS-LMLFDSFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[C@](C[NH3+])(N2CC[C@H]2C)[C@@H]1C 575588100 352816158 /nfs/dbraw/zinc/81/61/58/352816158.db2.gz CNDCFLQVKYUSIW-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)C[C@]1(C[NH3+])N1CC[C@H]1C 575588098 352816184 /nfs/dbraw/zinc/81/61/84/352816184.db2.gz CNDCFLQVKYUSIW-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CCN1[C@@]1(C[NH3+])C[C@@H](C)[C@@H]1C 575588103 352816198 /nfs/dbraw/zinc/81/61/98/352816198.db2.gz CNDCFLQVKYUSIW-VPOLOUISSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2CN)[C@@H]1C 575588107 352816212 /nfs/dbraw/zinc/81/62/12/352816212.db2.gz COTAWFLHDQFUOS-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2CN)[C@@H]1C 575588107 352816214 /nfs/dbraw/zinc/81/62/14/352816214.db2.gz COTAWFLHDQFUOS-GWOFURMSSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)C[C@@H]1CN1CC[C@](C)([NH3+])C1 575588412 352817447 /nfs/dbraw/zinc/81/74/47/352817447.db2.gz PPSLKHBQBMNKAZ-KOLCDFICSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@H]1CN1CC[C@](C)([NH3+])C1 575588424 352817492 /nfs/dbraw/zinc/81/74/92/352817492.db2.gz PPSLKHBQBMNKAZ-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@@H]1CN1CC[C@@](C)([NH3+])C1 575588419 352817506 /nfs/dbraw/zinc/81/75/06/352817506.db2.gz PPSLKHBQBMNKAZ-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)C[C@H]1CN1CC[C@@](C)([NH3+])C1 575588404 352817948 /nfs/dbraw/zinc/81/79/48/352817948.db2.gz PPSLKHBQBMNKAZ-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)=CC[N@@H+]1C[C@@H](N)C[C@H]1C 575588831 352819217 /nfs/dbraw/zinc/81/92/17/352819217.db2.gz JQFIBIVBBZLPTK-ZJUUUORDSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1C[C@@H](N)C[C@@H]1C 575588829 352819171 /nfs/dbraw/zinc/81/91/71/352819171.db2.gz JQFIBIVBBZLPTK-UWVGGRQHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1C[C@@H](N)C[C@@H]1C 575588829 352819173 /nfs/dbraw/zinc/81/91/73/352819173.db2.gz JQFIBIVBBZLPTK-UWVGGRQHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1C[C@@H](N)C[C@H]1C 575588831 352819216 /nfs/dbraw/zinc/81/92/16/352819216.db2.gz JQFIBIVBBZLPTK-ZJUUUORDSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1C[C@H](N)C[C@H]1C 575588828 352819340 /nfs/dbraw/zinc/81/93/40/352819340.db2.gz JQFIBIVBBZLPTK-NXEZZACHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1C[C@H](N)C[C@H]1C 575588828 352819343 /nfs/dbraw/zinc/81/93/43/352819343.db2.gz JQFIBIVBBZLPTK-NXEZZACHSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@H+]1C[C@H](N)C[C@@H]1C 575588830 352819667 /nfs/dbraw/zinc/81/96/67/352819667.db2.gz JQFIBIVBBZLPTK-VHSXEESVSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)=CC[N@@H+]1C[C@H](N)C[C@@H]1C 575588830 352819671 /nfs/dbraw/zinc/81/96/71/352819671.db2.gz JQFIBIVBBZLPTK-VHSXEESVSA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)(C[NH3+])N1CCC1(C)C 575588903 352820297 /nfs/dbraw/zinc/82/02/97/352820297.db2.gz MQHQHXPGXTULEP-UHFFFAOYSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@](C)(C[NH3+])N1CC[C@H]1C 575589117 352821116 /nfs/dbraw/zinc/82/11/16/352821116.db2.gz GUSRREDNEMGSDK-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H]1CCN1C[C@H]1C[NH2+]CC[C@H]1C 575589190 352821155 /nfs/dbraw/zinc/82/11/55/352821155.db2.gz CKOJRGKSNFWMLY-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@@H+]1C[C@H]1CNCC[C@H]1C 575589190 352821160 /nfs/dbraw/zinc/82/11/60/352821160.db2.gz CKOJRGKSNFWMLY-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@H+]1C[C@H]1CNCC[C@H]1C 575589190 352821163 /nfs/dbraw/zinc/82/11/63/352821163.db2.gz CKOJRGKSNFWMLY-OUAUKWLOSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CC[NH2+]C[C@H]1CN1CC[C@H]1C 575589189 352821187 /nfs/dbraw/zinc/82/11/87/352821187.db2.gz CKOJRGKSNFWMLY-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCNC[C@H]1C[N@H+]1CC[C@H]1C 575589189 352821189 /nfs/dbraw/zinc/82/11/89/352821189.db2.gz CKOJRGKSNFWMLY-MXWKQRLJSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@](C)(C[NH3+])N1CC[C@@H]1C 575589115 352821460 /nfs/dbraw/zinc/82/14/60/352821460.db2.gz GUSRREDNEMGSDK-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@](C)(C[NH3+])N1CC[C@@H]1C 575589116 352821490 /nfs/dbraw/zinc/82/14/90/352821490.db2.gz GUSRREDNEMGSDK-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H]1CC[NH2+]C[C@@H]1CN1CC[C@H]1C 575589188 352821538 /nfs/dbraw/zinc/82/15/38/352821538.db2.gz CKOJRGKSNFWMLY-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCNC[C@@H]1C[N@H+]1CC[C@H]1C 575589188 352821539 /nfs/dbraw/zinc/82/15/39/352821539.db2.gz CKOJRGKSNFWMLY-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CCNC[C@@H]1C[N@@H+]1CC[C@H]1C 575589188 352821541 /nfs/dbraw/zinc/82/15/41/352821541.db2.gz CKOJRGKSNFWMLY-GMTAPVOTSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CCN1C[C@@H]1C[NH2+]CC[C@H]1C 575589191 352821593 /nfs/dbraw/zinc/82/15/93/352821593.db2.gz CKOJRGKSNFWMLY-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@@H+]1C[C@@H]1CNCC[C@H]1C 575589191 352821594 /nfs/dbraw/zinc/82/15/94/352821594.db2.gz CKOJRGKSNFWMLY-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CC[N@H+]1C[C@@H]1CNCC[C@H]1C 575589191 352821595 /nfs/dbraw/zinc/82/15/95/352821595.db2.gz CKOJRGKSNFWMLY-VWYCJHECSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[C@@](C)(C[NH3+])N1CC[C@H]1C 575589112 352821605 /nfs/dbraw/zinc/82/16/05/352821605.db2.gz GUSRREDNEMGSDK-BDAKNGLRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1(C)CCN1[C@@H]1CCC[NH2+]CC1 575589847 352824268 /nfs/dbraw/zinc/82/42/68/352824268.db2.gz HJZPERSRRZQYFD-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@@H]1CCCNCC1 575589847 352824271 /nfs/dbraw/zinc/82/42/71/352824271.db2.gz HJZPERSRRZQYFD-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CC[N@H+]1[C@@H]1CCCNCC1 575589847 352824274 /nfs/dbraw/zinc/82/42/74/352824274.db2.gz HJZPERSRRZQYFD-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CCN1[C@H]1CCC[NH2+]CC1 575589841 352824869 /nfs/dbraw/zinc/82/48/69/352824869.db2.gz HJZPERSRRZQYFD-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CC[N@@H+]1[C@H]1CCCNCC1 575589841 352824871 /nfs/dbraw/zinc/82/48/71/352824871.db2.gz HJZPERSRRZQYFD-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CC[N@H+]1[C@H]1CCCNCC1 575589841 352824875 /nfs/dbraw/zinc/82/48/75/352824875.db2.gz HJZPERSRRZQYFD-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1C[C@H]1CC1(C)C 575590147 352826024 /nfs/dbraw/zinc/82/60/24/352826024.db2.gz ZWNPPOHKNZNQAJ-BBBLOLIVSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1C[C@H]1CC1(C)C 575590152 352826174 /nfs/dbraw/zinc/82/61/74/352826174.db2.gz ZWNPPOHKNZNQAJ-OPRDCNLKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1CC1(C)C 575590149 352826418 /nfs/dbraw/zinc/82/64/18/352826418.db2.gz ZWNPPOHKNZNQAJ-KXUCPTDWSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H](CCN)[N@@H+]1CCC1(C)C 575590268 352826782 /nfs/dbraw/zinc/82/67/82/352826782.db2.gz QXYPHYYTMBNIGY-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@H](CCN)[N@H+]1CCC1(C)C 575590268 352826785 /nfs/dbraw/zinc/82/67/85/352826785.db2.gz QXYPHYYTMBNIGY-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC1(C)C 575590275 352826833 /nfs/dbraw/zinc/82/68/33/352826833.db2.gz QXYPHYYTMBNIGY-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC1(C)C 575590275 352826836 /nfs/dbraw/zinc/82/68/36/352826836.db2.gz QXYPHYYTMBNIGY-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CC(C[NH3+])(N2CCC2(C)C)C1 575590548 352828130 /nfs/dbraw/zinc/82/81/30/352828130.db2.gz SZIAWWKKWVMDID-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCN1C1(C[NH3+])CCCC1 575591125 352830370 /nfs/dbraw/zinc/83/03/70/352830370.db2.gz WMHDAQYDSVETHN-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@@H]1CN([C@H](C)[C@H]2CC[NH2+]C2)[C@@H]1C 575591318 352831823 /nfs/dbraw/zinc/83/18/23/352831823.db2.gz KIFXBDUZNTXMNG-DBIOUOCHSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCC1(C)C 575591326 352831843 /nfs/dbraw/zinc/83/18/43/352831843.db2.gz XJZDGQBEZRQAGR-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCC1(C)C 575591326 352831846 /nfs/dbraw/zinc/83/18/46/352831846.db2.gz XJZDGQBEZRQAGR-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](C[NH3+])CN1CCC1(C)C 575591326 352831848 /nfs/dbraw/zinc/83/18/48/352831848.db2.gz XJZDGQBEZRQAGR-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1CC[C@@]1(C[NH3+])N1CCC1(C)C 575591407 352831893 /nfs/dbraw/zinc/83/18/93/352831893.db2.gz YEBPCZVTLQFHHS-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@]1(C[NH3+])N1CCC1(C)C 575591408 352831926 /nfs/dbraw/zinc/83/19/26/352831926.db2.gz YEBPCZVTLQFHHS-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@]1(C[NH3+])N1CCC1(C)C 575591413 352831972 /nfs/dbraw/zinc/83/19/72/352831972.db2.gz YEBPCZVTLQFHHS-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC1(C)C 575591327 352831991 /nfs/dbraw/zinc/83/19/91/352831991.db2.gz XJZDGQBEZRQAGR-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC1(C)C 575591327 352831995 /nfs/dbraw/zinc/83/19/95/352831995.db2.gz XJZDGQBEZRQAGR-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](C[NH3+])CN1CCC1(C)C 575591327 352831997 /nfs/dbraw/zinc/83/19/97/352831997.db2.gz XJZDGQBEZRQAGR-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](C[NH3+])N1CCC12CCCCC2 575591344 352832130 /nfs/dbraw/zinc/83/21/30/352832130.db2.gz XRPICJYSZKJRBQ-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@H](C)[C@@H]1CC[NH2+]C1 575591320 352832192 /nfs/dbraw/zinc/83/21/92/352832192.db2.gz KIFXBDUZNTXMNG-LMLFDSFASA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H](C[NH3+])N1CCC12CCCCC2 575591346 352832231 /nfs/dbraw/zinc/83/22/31/352832231.db2.gz XRPICJYSZKJRBQ-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO NC1(C[N@@H+]2CCC23CCC3)CCC1 575591375 352832327 /nfs/dbraw/zinc/83/23/27/352832327.db2.gz XYVXHRLGNRGCLD-UHFFFAOYSA-N 1 3 180.295 1.496 10 0 ADAEHO NC1(C[N@H+]2CCC23CCC3)CCC1 575591375 352832331 /nfs/dbraw/zinc/83/23/31/352832331.db2.gz XYVXHRLGNRGCLD-UHFFFAOYSA-N 1 3 180.295 1.496 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@H](C)[C@H]1CC[NH2+]C1 575591321 352832343 /nfs/dbraw/zinc/83/23/43/352832343.db2.gz KIFXBDUZNTXMNG-YTWAJWBKSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1CC[C@]1(C[NH3+])N1CCC1(C)C 575591403 352832369 /nfs/dbraw/zinc/83/23/69/352832369.db2.gz YEBPCZVTLQFHHS-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN([C@H](C)[C@@H]2CC[NH2+]C2)[C@@H]1C 575591319 352832381 /nfs/dbraw/zinc/83/23/81/352832381.db2.gz KIFXBDUZNTXMNG-GWOFURMSSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CN1CC[C@@H]1C 575591536 352832781 /nfs/dbraw/zinc/83/27/81/352832781.db2.gz LBXVQJBCFOZWGV-CIUDSAMLSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CN1CC[C@H]1C 575591539 352832852 /nfs/dbraw/zinc/83/28/52/352832852.db2.gz LBXVQJBCFOZWGV-YIZRAAEISA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN1CC[C@@H]1C 575591538 352832986 /nfs/dbraw/zinc/83/29/86/352832986.db2.gz LBXVQJBCFOZWGV-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)CN1CC[C@H]1C 575591537 352833100 /nfs/dbraw/zinc/83/31/00/352833100.db2.gz LBXVQJBCFOZWGV-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1CN1CC[C@H]1C 575591887 352834237 /nfs/dbraw/zinc/83/42/37/352834237.db2.gz MQEGNXVFETYMII-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CN([C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H]1C 575591946 352834279 /nfs/dbraw/zinc/83/42/79/352834279.db2.gz NEVZWUPPVZXBQZ-ZYUZMQFOSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](N)C2(C)C)[C@@H]1C 575591946 352834284 /nfs/dbraw/zinc/83/42/84/352834284.db2.gz NEVZWUPPVZXBQZ-ZYUZMQFOSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H](N)C2(C)C)[C@@H]1C 575591946 352834291 /nfs/dbraw/zinc/83/42/91/352834291.db2.gz NEVZWUPPVZXBQZ-ZYUZMQFOSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1CN1CC[C@H]1C 575591889 352834320 /nfs/dbraw/zinc/83/43/20/352834320.db2.gz MQEGNXVFETYMII-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1C[C@H]([NH3+])C1(C)C 575591944 352834415 /nfs/dbraw/zinc/83/44/15/352834415.db2.gz NEVZWUPPVZXBQZ-XFWSIPNHSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1C[C@H](N)C1(C)C 575591944 352834422 /nfs/dbraw/zinc/83/44/22/352834422.db2.gz NEVZWUPPVZXBQZ-XFWSIPNHSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1C[C@H](N)C1(C)C 575591944 352834425 /nfs/dbraw/zinc/83/44/25/352834425.db2.gz NEVZWUPPVZXBQZ-XFWSIPNHSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1CN([C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H]1C 575591941 352834457 /nfs/dbraw/zinc/83/44/57/352834457.db2.gz NEVZWUPPVZXBQZ-DOLQZWNJSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H](N)C2(C)C)[C@@H]1C 575591941 352834462 /nfs/dbraw/zinc/83/44/62/352834462.db2.gz NEVZWUPPVZXBQZ-DOLQZWNJSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2C[C@H](N)C2(C)C)[C@@H]1C 575591941 352834466 /nfs/dbraw/zinc/83/44/66/352834466.db2.gz NEVZWUPPVZXBQZ-DOLQZWNJSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1CN1CC[C@@H]1C 575591883 352834495 /nfs/dbraw/zinc/83/44/95/352834495.db2.gz MQEGNXVFETYMII-DCAQKATOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@@H]1CN1CC[C@@H]1C 575591886 352834634 /nfs/dbraw/zinc/83/46/34/352834634.db2.gz MQEGNXVFETYMII-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1C[C@@H]([NH3+])C1(C)C 575591943 352834900 /nfs/dbraw/zinc/83/49/00/352834900.db2.gz NEVZWUPPVZXBQZ-UTINFBMNSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1C[C@@H](N)C1(C)C 575591943 352834902 /nfs/dbraw/zinc/83/49/02/352834902.db2.gz NEVZWUPPVZXBQZ-UTINFBMNSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1C[C@@H](N)C1(C)C 575591943 352834904 /nfs/dbraw/zinc/83/49/04/352834904.db2.gz NEVZWUPPVZXBQZ-UTINFBMNSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C)C2)[C@H]1C 575592230 352835964 /nfs/dbraw/zinc/83/59/64/352835964.db2.gz PGKSEEUYXWBSCJ-ZRUFSTJUSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1C[N@H+]([C@@H]2CCN[C@H](C)C2)[C@H]1C 575592230 352835966 /nfs/dbraw/zinc/83/59/66/352835966.db2.gz PGKSEEUYXWBSCJ-ZRUFSTJUSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)[C@H]1C 575592230 352835969 /nfs/dbraw/zinc/83/59/69/352835969.db2.gz PGKSEEUYXWBSCJ-ZRUFSTJUSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1C 575592228 352836158 /nfs/dbraw/zinc/83/61/58/352836158.db2.gz PGKSEEUYXWBSCJ-LNFKQOIKSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CC[C@H]([NH3+])C1 575592192 352836015 /nfs/dbraw/zinc/83/60/15/352836015.db2.gz PAASUERLUKLRMA-XFWSIPNHSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 575592189 352836023 /nfs/dbraw/zinc/83/60/23/352836023.db2.gz PAASUERLUKLRMA-DOLQZWNJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1C 575592193 352836055 /nfs/dbraw/zinc/83/60/55/352836055.db2.gz PAASUERLUKLRMA-ZYUZMQFOSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C)C2)[C@@H]1C 575592228 352836152 /nfs/dbraw/zinc/83/61/52/352836152.db2.gz PGKSEEUYXWBSCJ-LNFKQOIKSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1C[N@H+]([C@@H]2CCN[C@H](C)C2)[C@@H]1C 575592228 352836156 /nfs/dbraw/zinc/83/61/56/352836156.db2.gz PGKSEEUYXWBSCJ-LNFKQOIKSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CC[C@@H]([NH3+])C1 575592190 352836194 /nfs/dbraw/zinc/83/61/94/352836194.db2.gz PAASUERLUKLRMA-UTINFBMNSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCN[C@H](C)C1 575592223 352836211 /nfs/dbraw/zinc/83/62/11/352836211.db2.gz PGKSEEUYXWBSCJ-CHWFTXMASA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCN[C@H](C)C1 575592223 352836216 /nfs/dbraw/zinc/83/62/16/352836216.db2.gz PGKSEEUYXWBSCJ-CHWFTXMASA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CC[NH2+][C@H](C)C1 575592223 352836220 /nfs/dbraw/zinc/83/62/20/352836220.db2.gz PGKSEEUYXWBSCJ-CHWFTXMASA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@@H](CC[NH3+])N1C[C@@H](C)[C@@H]1C 575592240 352836230 /nfs/dbraw/zinc/83/62/30/352836230.db2.gz SMGKTDQSGWYYCV-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1C[C@@H](C)[C@@H]1C 575592240 352836233 /nfs/dbraw/zinc/83/62/33/352836233.db2.gz SMGKTDQSGWYYCV-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](CCN)[N@H+]1C[C@@H](C)[C@@H]1C 575592240 352836236 /nfs/dbraw/zinc/83/62/36/352836236.db2.gz SMGKTDQSGWYYCV-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@H]2C)CCN1 575592225 352836535 /nfs/dbraw/zinc/83/65/35/352836535.db2.gz PGKSEEUYXWBSCJ-GWOFURMSSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@H]2C)CCN1 575592225 352836540 /nfs/dbraw/zinc/83/65/40/352836540.db2.gz PGKSEEUYXWBSCJ-GWOFURMSSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@@H]1C[C@H](N2C[C@@H](C)[C@H]2C)CC[NH2+]1 575592225 352836545 /nfs/dbraw/zinc/83/65/45/352836545.db2.gz PGKSEEUYXWBSCJ-GWOFURMSSA-N 1 3 182.311 1.467 10 0 ADAEHO C[C@@H](CC[NH3+])N1C[C@@H](C)[C@H]1C 575592231 352836554 /nfs/dbraw/zinc/83/65/54/352836554.db2.gz SMGKTDQSGWYYCV-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1C[C@@H](C)[C@H]1C 575592231 352836558 /nfs/dbraw/zinc/83/65/58/352836558.db2.gz SMGKTDQSGWYYCV-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](CCN)[N@H+]1C[C@@H](C)[C@H]1C 575592231 352836562 /nfs/dbraw/zinc/83/65/62/352836562.db2.gz SMGKTDQSGWYYCV-HRDYMLBCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1CN([C@H](C)CC[NH3+])[C@@H]1C 575592236 352836611 /nfs/dbraw/zinc/83/66/11/352836611.db2.gz SMGKTDQSGWYYCV-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H](C)CCN)[C@@H]1C 575592236 352836614 /nfs/dbraw/zinc/83/66/14/352836614.db2.gz SMGKTDQSGWYYCV-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H](C)CCN)[C@@H]1C 575592236 352836617 /nfs/dbraw/zinc/83/66/17/352836617.db2.gz SMGKTDQSGWYYCV-IWSPIJDZSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@H](C)CC[NH3+] 575592224 352836630 /nfs/dbraw/zinc/83/66/30/352836630.db2.gz SMGKTDQSGWYYCV-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@H](C)CCN 575592224 352836632 /nfs/dbraw/zinc/83/66/32/352836632.db2.gz SMGKTDQSGWYYCV-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)CCN 575592224 352836636 /nfs/dbraw/zinc/83/66/36/352836636.db2.gz SMGKTDQSGWYYCV-HLTSFMKQSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCNCC2)[C@H]1C 575592296 352837161 /nfs/dbraw/zinc/83/71/61/352837161.db2.gz SVGNNDLUJKEJDJ-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[N@H+](C2CCNCC2)[C@H]1C 575592296 352837162 /nfs/dbraw/zinc/83/71/62/352837162.db2.gz SVGNNDLUJKEJDJ-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CN(C2CC[NH2+]CC2)[C@H]1C 575592296 352837163 /nfs/dbraw/zinc/83/71/63/352837163.db2.gz SVGNNDLUJKEJDJ-IUCAKERBSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1C1CCNCC1 575592291 352837177 /nfs/dbraw/zinc/83/71/77/352837177.db2.gz SVGNNDLUJKEJDJ-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1C1CCNCC1 575592291 352837178 /nfs/dbraw/zinc/83/71/78/352837178.db2.gz SVGNNDLUJKEJDJ-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1[C@H](C)CN1C1CC[NH2+]CC1 575592291 352837181 /nfs/dbraw/zinc/83/71/81/352837181.db2.gz SVGNNDLUJKEJDJ-BDAKNGLRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[N@@H+](C2CCNCC2)[C@@H]1C 575592300 352837223 /nfs/dbraw/zinc/83/72/23/352837223.db2.gz SVGNNDLUJKEJDJ-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[N@H+](C2CCNCC2)[C@@H]1C 575592300 352837228 /nfs/dbraw/zinc/83/72/28/352837228.db2.gz SVGNNDLUJKEJDJ-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CN(C2CC[NH2+]CC2)[C@@H]1C 575592300 352837230 /nfs/dbraw/zinc/83/72/30/352837230.db2.gz SVGNNDLUJKEJDJ-RKDXNWHRSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[N@@H+](C2CCNCC2)[C@@H]1C 575592293 352837440 /nfs/dbraw/zinc/83/74/40/352837440.db2.gz SVGNNDLUJKEJDJ-DTWKUNHWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1C[N@H+](C2CCNCC2)[C@@H]1C 575592293 352837443 /nfs/dbraw/zinc/83/74/43/352837443.db2.gz SVGNNDLUJKEJDJ-DTWKUNHWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CN(C2CC[NH2+]CC2)[C@@H]1C 575592293 352837445 /nfs/dbraw/zinc/83/74/45/352837445.db2.gz SVGNNDLUJKEJDJ-DTWKUNHWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCC[C@H]1[NH3+] 575592474 352838138 /nfs/dbraw/zinc/83/81/38/352838138.db2.gz TXGIZLQEPZPMMW-KXUCPTDWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCNC[C@H]2C)[C@@H]1C 575592480 352838153 /nfs/dbraw/zinc/83/81/53/352838153.db2.gz UADWTILNTNVPHA-GWOFURMSSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCNC[C@H]2C)[C@@H]1C 575592480 352838156 /nfs/dbraw/zinc/83/81/56/352838156.db2.gz UADWTILNTNVPHA-GWOFURMSSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1CN([C@@H]2CC[NH2+]C[C@H]2C)[C@@H]1C 575592480 352838158 /nfs/dbraw/zinc/83/81/58/352838158.db2.gz UADWTILNTNVPHA-GWOFURMSSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCC[C@@H]1[NH3+] 575592472 352838236 /nfs/dbraw/zinc/83/82/36/352838236.db2.gz TXGIZLQEPZPMMW-BBBLOLIVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCNC[C@H]1C 575592479 352838338 /nfs/dbraw/zinc/83/83/38/352838338.db2.gz UADWTILNTNVPHA-CHWFTXMASA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCNC[C@H]1C 575592479 352838341 /nfs/dbraw/zinc/83/83/41/352838341.db2.gz UADWTILNTNVPHA-CHWFTXMASA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CC[NH2+]C[C@H]1C 575592479 352838343 /nfs/dbraw/zinc/83/83/43/352838343.db2.gz UADWTILNTNVPHA-CHWFTXMASA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCC[C@@H]1[NH3+] 575592476 352838408 /nfs/dbraw/zinc/83/84/08/352838408.db2.gz TXGIZLQEPZPMMW-UTLUCORTSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCN1C[C@@H]1CCC[C@@H]1[NH3+] 575592473 352838436 /nfs/dbraw/zinc/83/84/36/352838436.db2.gz TXGIZLQEPZPMMW-GUBZILKMSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCC[C@H]1[NH3+] 575592475 352838512 /nfs/dbraw/zinc/83/85/12/352838512.db2.gz TXGIZLQEPZPMMW-OPRDCNLKSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1CCC[C@]1(C[NH3+])N1CC[C@H]1C 575592593 352838905 /nfs/dbraw/zinc/83/89/05/352838905.db2.gz XJIYVJXPPWAAHT-HBNTYKKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@@](C[NH3+])(N2CC[C@H]2C)C1 575592549 352838942 /nfs/dbraw/zinc/83/89/42/352838942.db2.gz WAWCJEBJBDIHFQ-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[C@](C[NH3+])(N2CC[C@H]2C)C1 575592550 352839053 /nfs/dbraw/zinc/83/90/53/352839053.db2.gz WAWCJEBJBDIHFQ-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCC[C@@]1(C[NH3+])N1CC[C@H]1C 575592591 352839090 /nfs/dbraw/zinc/83/90/90/352839090.db2.gz XJIYVJXPPWAAHT-AXFHLTTASA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCN1[C@@]1(C[NH3+])CC[C@@H](C)C1 575592552 352839130 /nfs/dbraw/zinc/83/91/30/352839130.db2.gz WAWCJEBJBDIHFQ-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1[C@@]1(C[NH3+])CCC[C@H]1C 575592592 352839164 /nfs/dbraw/zinc/83/91/64/352839164.db2.gz XJIYVJXPPWAAHT-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1[C@]1(C[NH3+])CCC[C@H]1C 575592594 352839388 /nfs/dbraw/zinc/83/93/88/352839388.db2.gz XJIYVJXPPWAAHT-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CCN1[C@]1(C[NH3+])CC[C@@H](C)C1 575592551 352839402 /nfs/dbraw/zinc/83/94/02/352839402.db2.gz WAWCJEBJBDIHFQ-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC[C@@H]1C 575592985 352839820 /nfs/dbraw/zinc/83/98/20/352839820.db2.gz ULJUDRMJJGFGPP-LPEHRKFASA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1C[C@@H](C)[C@@H]1C 575592933 352839849 /nfs/dbraw/zinc/83/98/49/352839849.db2.gz UADWTILNTNVPHA-ZRUFSTJUSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1C[C@@H](C)[C@@H]1C 575592933 352839853 /nfs/dbraw/zinc/83/98/53/352839853.db2.gz UADWTILNTNVPHA-ZRUFSTJUSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@H]1N1C[C@@H](C)[C@@H]1C 575592933 352839856 /nfs/dbraw/zinc/83/98/56/352839856.db2.gz UADWTILNTNVPHA-ZRUFSTJUSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CC[C@H]1C 575592986 352839956 /nfs/dbraw/zinc/83/99/56/352839956.db2.gz ULJUDRMJJGFGPP-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN1[C@]1(C[NH3+])CC[C@H]2C[C@H]21 575592960 352840187 /nfs/dbraw/zinc/84/01/87/352840187.db2.gz ZFXDVWQGQYEMFI-YTWAJWBKSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC[C@H]1C 575592983 352840263 /nfs/dbraw/zinc/84/02/63/352840263.db2.gz ULJUDRMJJGFGPP-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CC[C@@H]1C 575592981 352840303 /nfs/dbraw/zinc/84/03/03/352840303.db2.gz ULJUDRMJJGFGPP-GUBZILKMSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1C[C@@H](C)[C@H]1C 575592930 352840337 /nfs/dbraw/zinc/84/03/37/352840337.db2.gz UADWTILNTNVPHA-LNFKQOIKSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1C[C@@H](C)[C@H]1C 575592930 352840340 /nfs/dbraw/zinc/84/03/40/352840340.db2.gz UADWTILNTNVPHA-LNFKQOIKSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@H]1N1C[C@@H](C)[C@H]1C 575592930 352840341 /nfs/dbraw/zinc/84/03/41/352840341.db2.gz UADWTILNTNVPHA-LNFKQOIKSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1CCN1[C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 575592962 352840403 /nfs/dbraw/zinc/84/04/03/352840403.db2.gz ZFXDVWQGQYEMFI-ZNSHCXBVSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1C 575593028 352840774 /nfs/dbraw/zinc/84/07/74/352840774.db2.gz VBQDNDIFLGAQIJ-XAVMHZPKSA-N 1 3 156.273 1.062 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H](C)[C@H]1C 575593028 352840777 /nfs/dbraw/zinc/84/07/77/352840777.db2.gz VBQDNDIFLGAQIJ-XAVMHZPKSA-N 1 3 156.273 1.062 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1C 575593026 352840904 /nfs/dbraw/zinc/84/09/04/352840904.db2.gz VBQDNDIFLGAQIJ-JBDRJPRFSA-N 1 3 156.273 1.062 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H](C)[C@@H]1C 575593026 352840908 /nfs/dbraw/zinc/84/09/08/352840908.db2.gz VBQDNDIFLGAQIJ-JBDRJPRFSA-N 1 3 156.273 1.062 10 0 ADAEHO CC(C[N@H+]1CC[C@@H]1C)=C1CNC1 575593031 352840987 /nfs/dbraw/zinc/84/09/87/352840987.db2.gz VCFAEQHNBBCDLE-VIFPVBQESA-N 1 3 166.268 1.000 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1C 575593029 352841024 /nfs/dbraw/zinc/84/10/24/352841024.db2.gz VBQDNDIFLGAQIJ-XGEHTFHBSA-N 1 3 156.273 1.062 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C 575593029 352841026 /nfs/dbraw/zinc/84/10/26/352841026.db2.gz VBQDNDIFLGAQIJ-XGEHTFHBSA-N 1 3 156.273 1.062 10 0 ADAEHO CC(C[N@H+]1CC[C@H]1C)=C1CNC1 575593030 352841050 /nfs/dbraw/zinc/84/10/50/352841050.db2.gz VCFAEQHNBBCDLE-SECBINFHSA-N 1 3 166.268 1.000 10 0 ADAEHO CC(C[N@@H+]1CC[C@H]1C)=C1CNC1 575593030 352841054 /nfs/dbraw/zinc/84/10/54/352841054.db2.gz VCFAEQHNBBCDLE-SECBINFHSA-N 1 3 166.268 1.000 10 0 ADAEHO CC1CC(N2C[C@H]([NH3+])C[C@H]2C)C1 575593126 352841116 /nfs/dbraw/zinc/84/11/16/352841116.db2.gz XAEBDIFLNINYFF-DSAQSWLYSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H](C)[C@H]1C 575593027 352841249 /nfs/dbraw/zinc/84/12/49/352841249.db2.gz VBQDNDIFLGAQIJ-MAUMQABQSA-N 1 3 156.273 1.062 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 575593027 352841251 /nfs/dbraw/zinc/84/12/51/352841251.db2.gz VBQDNDIFLGAQIJ-MAUMQABQSA-N 1 3 156.273 1.062 10 0 ADAEHO CC1CC(N2C[C@@H]([NH3+])C[C@@H]2C)C1 575593128 352841299 /nfs/dbraw/zinc/84/12/99/352841299.db2.gz XAEBDIFLNINYFF-ZNHWEVIXSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC(N2C[C@H]([NH3+])C[C@@H]2C)C1 575593125 352841397 /nfs/dbraw/zinc/84/13/97/352841397.db2.gz XAEBDIFLNINYFF-APTHBXDWSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1CC(N2C[C@@H]([NH3+])C[C@H]2C)C1 575593127 352841413 /nfs/dbraw/zinc/84/14/13/352841413.db2.gz XAEBDIFLNINYFF-MXAZLMSGSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1CCN1[C@H]1CC[NH2+]C(C)(C)C1 575593223 352841723 /nfs/dbraw/zinc/84/17/23/352841723.db2.gz YXQQAQUGEKPFGE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@H]1CCNC(C)(C)C1 575593223 352841726 /nfs/dbraw/zinc/84/17/26/352841726.db2.gz YXQQAQUGEKPFGE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[N@H+]1[C@H]1CCNC(C)(C)C1 575593223 352841728 /nfs/dbraw/zinc/84/17/28/352841728.db2.gz YXQQAQUGEKPFGE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CN1[C@H]1CC[C@H]1C 575593189 352841799 /nfs/dbraw/zinc/84/17/99/352841799.db2.gz YJPZHNQCHMPTAT-KATARQTJSA-N 1 3 168.284 1.206 10 0 ADAEHO NC1CC([N@@H+]2C[C@H]3CCCC[C@H]32)C1 575593280 352841830 /nfs/dbraw/zinc/84/18/30/352841830.db2.gz ZWZHZFTXUNAJIG-AGVGLQIMSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1CCN1[C@H]1CC[NH2+]C(C)(C)C1 575593225 352841891 /nfs/dbraw/zinc/84/18/91/352841891.db2.gz YXQQAQUGEKPFGE-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@H]1CCNC(C)(C)C1 575593225 352841898 /nfs/dbraw/zinc/84/18/98/352841898.db2.gz YXQQAQUGEKPFGE-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@H]1CCNC(C)(C)C1 575593225 352841900 /nfs/dbraw/zinc/84/19/00/352841900.db2.gz YXQQAQUGEKPFGE-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1[C@@H](N2C[C@H]([NH3+])C[C@@H]2C)C[C@H]1C 575593219 352841977 /nfs/dbraw/zinc/84/19/77/352841977.db2.gz YXMZYQKLPUETIG-KJPMQGKISA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN1[C@H]1CC[C@H]1C 575593191 352842006 /nfs/dbraw/zinc/84/20/06/352842006.db2.gz YJPZHNQCHMPTAT-RGOKHQFPSA-N 1 3 168.284 1.206 10 0 ADAEHO NC1CC([N@@H+]2C[C@H]3CCCC[C@@H]32)C1 575593283 352842028 /nfs/dbraw/zinc/84/20/28/352842028.db2.gz ZWZHZFTXUNAJIG-SFXRXQKFSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2C[C@H]3CCCC[C@@H]32)C1 575593283 352842029 /nfs/dbraw/zinc/84/20/29/352842029.db2.gz ZWZHZFTXUNAJIG-SFXRXQKFSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@@H+]2C[C@@H]3CCCC[C@H]32)C1 575593281 352842052 /nfs/dbraw/zinc/84/20/52/352842052.db2.gz ZWZHZFTXUNAJIG-IDWGSYCQSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1[C@@H](N2C[C@H]([NH3+])C[C@H]2C)C[C@H]1C 575593220 352842073 /nfs/dbraw/zinc/84/20/73/352842073.db2.gz YXMZYQKLPUETIG-NZFPMDFQSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CN1[C@H]1C[C@@H](C)[C@H]1C 575593221 352842118 /nfs/dbraw/zinc/84/21/18/352842118.db2.gz YXMZYQKLPUETIG-QGKZMRNZSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1C[C@H]([NH3+])C[C@H]1C 575593190 352842150 /nfs/dbraw/zinc/84/21/50/352842150.db2.gz YJPZHNQCHMPTAT-KYXWUPHJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1CCN1[C@@H]1CC[NH2+]C(C)(C)C1 575593224 352842171 /nfs/dbraw/zinc/84/21/71/352842171.db2.gz YXQQAQUGEKPFGE-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[N@@H+]1[C@@H]1CCNC(C)(C)C1 575593224 352842174 /nfs/dbraw/zinc/84/21/74/352842174.db2.gz YXQQAQUGEKPFGE-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[C@@H]1N1C[C@@H]([NH3+])C[C@H]1C 575593188 352842196 /nfs/dbraw/zinc/84/21/96/352842196.db2.gz YJPZHNQCHMPTAT-IMSYWVGJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CCN1[C@@H]1CC[NH2+]C(C)(C)C1 575593222 352842204 /nfs/dbraw/zinc/84/22/04/352842204.db2.gz YXQQAQUGEKPFGE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCNC(C)(C)C1 575593222 352842206 /nfs/dbraw/zinc/84/22/06/352842206.db2.gz YXQQAQUGEKPFGE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCNC(C)(C)C1 575593222 352842209 /nfs/dbraw/zinc/84/22/09/352842209.db2.gz YXQQAQUGEKPFGE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO NC1CC([N@@H+]2C[C@@H]3CCCC[C@@H]32)C1 575593282 352842226 /nfs/dbraw/zinc/84/22/26/352842226.db2.gz ZWZHZFTXUNAJIG-PMUOWJKOSA-N 1 3 180.295 1.351 10 0 ADAEHO NC1CC([N@H+]2C[C@@H]3CCCC[C@@H]32)C1 575593282 352842229 /nfs/dbraw/zinc/84/22/29/352842229.db2.gz ZWZHZFTXUNAJIG-PMUOWJKOSA-N 1 3 180.295 1.351 10 0 ADAEHO C[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@H]2C)[C@@H]1C 575593218 352842294 /nfs/dbraw/zinc/84/22/94/352842294.db2.gz YXMZYQKLPUETIG-ILAIQSSSSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]1C[C@@H]([N@@H+]2CCC2(C)C)CCN1 575593996 352846387 /nfs/dbraw/zinc/84/63/87/352846387.db2.gz AOZCGNOXKNSOFE-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]([N@H+]2CCC2(C)C)CCN1 575593996 352846388 /nfs/dbraw/zinc/84/63/88/352846388.db2.gz AOZCGNOXKNSOFE-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@@H](N2CCC2(C)C)CC[NH2+]1 575593996 352846389 /nfs/dbraw/zinc/84/63/89/352846389.db2.gz AOZCGNOXKNSOFE-ZJUUUORDSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]([N@@H+]2CCC2(C)C)CCN1 575593993 352846425 /nfs/dbraw/zinc/84/64/25/352846425.db2.gz AOZCGNOXKNSOFE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H]([N@H+]2CCC2(C)C)CCN1 575593993 352846427 /nfs/dbraw/zinc/84/64/27/352846427.db2.gz AOZCGNOXKNSOFE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@@H]1C[C@H](N2CCC2(C)C)CC[NH2+]1 575593993 352846429 /nfs/dbraw/zinc/84/64/29/352846429.db2.gz AOZCGNOXKNSOFE-NXEZZACHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H]([N@@H+]2CCC2(C)C)CCN1 575593995 352846462 /nfs/dbraw/zinc/84/64/62/352846462.db2.gz AOZCGNOXKNSOFE-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H]([N@H+]2CCC2(C)C)CCN1 575593995 352846464 /nfs/dbraw/zinc/84/64/64/352846464.db2.gz AOZCGNOXKNSOFE-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@H](N2CCC2(C)C)CC[NH2+]1 575593995 352846466 /nfs/dbraw/zinc/84/64/66/352846466.db2.gz AOZCGNOXKNSOFE-VHSXEESVSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+]2CCC2(C)C)CCN1 575593994 352846523 /nfs/dbraw/zinc/84/65/23/352846523.db2.gz AOZCGNOXKNSOFE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+]2CCC2(C)C)CCN1 575593994 352846524 /nfs/dbraw/zinc/84/65/24/352846524.db2.gz AOZCGNOXKNSOFE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H](N2CCC2(C)C)CC[NH2+]1 575593994 352846526 /nfs/dbraw/zinc/84/65/26/352846526.db2.gz AOZCGNOXKNSOFE-UWVGGRQHSA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CC[C@H](N)C1 575594022 352847157 /nfs/dbraw/zinc/84/71/57/352847157.db2.gz BASNXTLUAFNGOT-ZRUFSTJUSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CC[C@H](N)C1 575594022 352847158 /nfs/dbraw/zinc/84/71/58/352847158.db2.gz BASNXTLUAFNGOT-ZRUFSTJUSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CC23CC3)C[C@@H]1[NH3+] 575594014 352847204 /nfs/dbraw/zinc/84/72/04/352847204.db2.gz AWPGIJNFLHIINR-UTLUCORTSA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@@H]1CN(C[C@H]2CC23CC3)C[C@H]1[NH3+] 575594013 352847219 /nfs/dbraw/zinc/84/72/19/352847219.db2.gz AWPGIJNFLHIINR-OPRDCNLKSA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCCC[C@H]1[NH3+] 575594001 352847228 /nfs/dbraw/zinc/84/72/28/352847228.db2.gz AQVCCFREXIHVOG-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCCC[C@@H]1[NH3+] 575594004 352847333 /nfs/dbraw/zinc/84/73/33/352847333.db2.gz AQVCCFREXIHVOG-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCCC[C@H]1[NH3+] 575594003 352847373 /nfs/dbraw/zinc/84/73/73/352847373.db2.gz AQVCCFREXIHVOG-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CN(C[C@@H]2CC23CC3)C[C@H]1[NH3+] 575594012 352847480 /nfs/dbraw/zinc/84/74/80/352847480.db2.gz AWPGIJNFLHIINR-KXUCPTDWSA-N 1 3 180.295 1.066 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCCC[C@@H]1[NH3+] 575594002 352847517 /nfs/dbraw/zinc/84/75/17/352847517.db2.gz AQVCCFREXIHVOG-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1CC[C@@H](N)C1 575594021 352847533 /nfs/dbraw/zinc/84/75/33/352847533.db2.gz BASNXTLUAFNGOT-YTWAJWBKSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CC[C@@H](N)C1 575594021 352847541 /nfs/dbraw/zinc/84/75/41/352847541.db2.gz BASNXTLUAFNGOT-YTWAJWBKSA-N 1 3 182.311 1.739 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCC1(C)C 575594440 352849467 /nfs/dbraw/zinc/84/94/67/352849467.db2.gz IMUCBCHYDNCXPV-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCC1(C)C 575594440 352849471 /nfs/dbraw/zinc/84/94/71/352849471.db2.gz IMUCBCHYDNCXPV-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@H]1N1CCC1(C)C 575594440 352849473 /nfs/dbraw/zinc/84/94/73/352849473.db2.gz IMUCBCHYDNCXPV-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCC1(C)C 575594438 352849516 /nfs/dbraw/zinc/84/95/16/352849516.db2.gz IMUCBCHYDNCXPV-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCC1(C)C 575594438 352849520 /nfs/dbraw/zinc/84/95/20/352849520.db2.gz IMUCBCHYDNCXPV-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1N1CCC1(C)C 575594438 352849522 /nfs/dbraw/zinc/84/95/22/352849522.db2.gz IMUCBCHYDNCXPV-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC12CC2 575594437 352849551 /nfs/dbraw/zinc/84/95/51/352849551.db2.gz IKUOAHPZYAXLJH-UTLUCORTSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1C[C@H]1CC12CC2 575594436 352849581 /nfs/dbraw/zinc/84/95/81/352849581.db2.gz IKUOAHPZYAXLJH-OPRDCNLKSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN1C[C@H]1CC12CC2 575594433 352849599 /nfs/dbraw/zinc/84/95/99/352849599.db2.gz IKUOAHPZYAXLJH-BBBLOLIVSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCC1(C)C 575594441 352849759 /nfs/dbraw/zinc/84/97/59/352849759.db2.gz IMUCBCHYDNCXPV-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1N1CCC1(C)C 575594441 352849763 /nfs/dbraw/zinc/84/97/63/352849763.db2.gz IMUCBCHYDNCXPV-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1CC12CC2 575594435 352849774 /nfs/dbraw/zinc/84/97/74/352849774.db2.gz IKUOAHPZYAXLJH-KXUCPTDWSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CCC1(C)C 575594439 352849807 /nfs/dbraw/zinc/84/98/07/352849807.db2.gz IMUCBCHYDNCXPV-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CCC1(C)C 575594439 352849809 /nfs/dbraw/zinc/84/98/09/352849809.db2.gz IMUCBCHYDNCXPV-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@@H]1N1CCC1(C)C 575594439 352849811 /nfs/dbraw/zinc/84/98/11/352849811.db2.gz IMUCBCHYDNCXPV-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)CNC1 575594692 352850639 /nfs/dbraw/zinc/85/06/39/352850639.db2.gz LMTZBYNVFOSNQR-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2C[N@@H+](C3CCNCC3)[C@H]2C1 575594802 352850598 /nfs/dbraw/zinc/85/05/98/352850598.db2.gz NMFSHNDJAPOZBM-ONGXEEELSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2C[N@H+](C3CCNCC3)[C@H]2C1 575594802 352850600 /nfs/dbraw/zinc/85/06/00/352850600.db2.gz NMFSHNDJAPOZBM-ONGXEEELSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC[C@H](N2CC[C@@H]3C[C@@H]32)C[NH2+]C1 575594692 352850637 /nfs/dbraw/zinc/85/06/37/352850637.db2.gz LMTZBYNVFOSNQR-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)CNC1 575594692 352850641 /nfs/dbraw/zinc/85/06/41/352850641.db2.gz LMTZBYNVFOSNQR-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC[C@H](N2CC[C@H]3C[C@H]32)C[NH2+]C1 575594689 352850646 /nfs/dbraw/zinc/85/06/46/352850646.db2.gz LMTZBYNVFOSNQR-GARJFASQSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)CNC1 575594689 352850648 /nfs/dbraw/zinc/85/06/48/352850648.db2.gz LMTZBYNVFOSNQR-GARJFASQSA-N 1 3 180.295 1.223 10 0 ADAEHO C1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)CNC1 575594689 352850650 /nfs/dbraw/zinc/85/06/50/352850650.db2.gz LMTZBYNVFOSNQR-GARJFASQSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2C[N@@H+](C3CCNCC3)[C@@H]2C1 575594797 352850752 /nfs/dbraw/zinc/85/07/52/352850752.db2.gz NMFSHNDJAPOZBM-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2C[N@H+](C3CCNCC3)[C@@H]2C1 575594797 352850754 /nfs/dbraw/zinc/85/07/54/352850754.db2.gz NMFSHNDJAPOZBM-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2C[N@@H+](C3CCNCC3)[C@@H]2C1 575594801 352850768 /nfs/dbraw/zinc/85/07/68/352850768.db2.gz NMFSHNDJAPOZBM-MWLCHTKSSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@@H]2C[N@H+](C3CCNCC3)[C@@H]2C1 575594801 352850772 /nfs/dbraw/zinc/85/07/72/352850772.db2.gz NMFSHNDJAPOZBM-MWLCHTKSSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)C[N@H+]2C1CCNCC1 575594798 352850883 /nfs/dbraw/zinc/85/08/83/352850883.db2.gz NMFSHNDJAPOZBM-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO C1C[C@H]2[C@H](C1)C[N@@H+]2C1CCNCC1 575594798 352850885 /nfs/dbraw/zinc/85/08/85/352850885.db2.gz NMFSHNDJAPOZBM-KOLCDFICSA-N 1 3 180.295 1.223 10 0 ADAEHO CC1(C[N@@H+]2CCC23CCC3)CNC1 575594980 352851611 /nfs/dbraw/zinc/85/16/11/352851611.db2.gz QOFJLGPXPKLNOA-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO CC1(C[N@H+]2CCC23CCC3)CNC1 575594980 352851614 /nfs/dbraw/zinc/85/16/14/352851614.db2.gz QOFJLGPXPKLNOA-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[C@H]1N 575595019 352852268 /nfs/dbraw/zinc/85/22/68/352852268.db2.gz RTWPHCLIBLTJJN-UTINFBMNSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H]1N 575595019 352852271 /nfs/dbraw/zinc/85/22/71/352852271.db2.gz RTWPHCLIBLTJJN-UTINFBMNSA-N 1 3 168.284 1.206 10 0 ADAEHO [NH3+]C1(CN2CCC23CCCC3)CC1 575594985 352852447 /nfs/dbraw/zinc/85/24/47/352852447.db2.gz QPOQGRMMVSFFOW-UHFFFAOYSA-N 1 3 180.295 1.496 10 0 ADAEHO CC1(C)[C@@H](N)C[C@@H]1[N@H+]1CCC1(C)C 575595105 352852572 /nfs/dbraw/zinc/85/25/72/352852572.db2.gz VOZJGIZZEQKCQG-IUCAKERBSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@@H](N)C[C@@H]1[N@@H+]1CCC1(C)C 575595105 352852574 /nfs/dbraw/zinc/85/25/74/352852574.db2.gz VOZJGIZZEQKCQG-IUCAKERBSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@@H]1N1CCC1(C)C 575595105 352852577 /nfs/dbraw/zinc/85/25/77/352852577.db2.gz VOZJGIZZEQKCQG-IUCAKERBSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[N@H+]1CCC1(C)C 575595106 352852692 /nfs/dbraw/zinc/85/26/92/352852692.db2.gz VOZJGIZZEQKCQG-RKDXNWHRSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@H](N)C[C@H]1[N@@H+]1CCC1(C)C 575595106 352852695 /nfs/dbraw/zinc/85/26/95/352852695.db2.gz VOZJGIZZEQKCQG-RKDXNWHRSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@H]([NH3+])C[C@H]1N1CCC1(C)C 575595106 352852697 /nfs/dbraw/zinc/85/26/97/352852697.db2.gz VOZJGIZZEQKCQG-RKDXNWHRSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2N)[C@@H]1C 575595021 352852806 /nfs/dbraw/zinc/85/28/06/352852806.db2.gz RTWPHCLIBLTJJN-ZYUZMQFOSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2N)[C@@H]1C 575595021 352852809 /nfs/dbraw/zinc/85/28/09/352852809.db2.gz RTWPHCLIBLTJJN-ZYUZMQFOSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1(C)[C@@H](N)C[C@H]1[N@H+]1CCC1(C)C 575595104 352852841 /nfs/dbraw/zinc/85/28/41/352852841.db2.gz VOZJGIZZEQKCQG-DTWKUNHWSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@@H](N)C[C@H]1[N@@H+]1CCC1(C)C 575595104 352852844 /nfs/dbraw/zinc/85/28/44/352852844.db2.gz VOZJGIZZEQKCQG-DTWKUNHWSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@@H]([NH3+])C[C@H]1N1CCC1(C)C 575595104 352852846 /nfs/dbraw/zinc/85/28/46/352852846.db2.gz VOZJGIZZEQKCQG-DTWKUNHWSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2N)[C@@H]1C 575595018 352852913 /nfs/dbraw/zinc/85/29/13/352852913.db2.gz RTWPHCLIBLTJJN-DOLQZWNJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2N)[C@@H]1C 575595018 352852915 /nfs/dbraw/zinc/85/29/15/352852915.db2.gz RTWPHCLIBLTJJN-DOLQZWNJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[C@@H]1N 575595020 352852929 /nfs/dbraw/zinc/85/29/29/352852929.db2.gz RTWPHCLIBLTJJN-XFWSIPNHSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@@H]1N 575595020 352852932 /nfs/dbraw/zinc/85/29/32/352852932.db2.gz RTWPHCLIBLTJJN-XFWSIPNHSA-N 1 3 168.284 1.206 10 0 ADAEHO CC1(C)[C@@H]([N@H+]2CCC2(C)C)C[C@H]1N 575595103 352852961 /nfs/dbraw/zinc/85/29/61/352852961.db2.gz VOZJGIZZEQKCQG-BDAKNGLRSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@@H]([N@@H+]2CCC2(C)C)C[C@H]1N 575595103 352852965 /nfs/dbraw/zinc/85/29/65/352852965.db2.gz VOZJGIZZEQKCQG-BDAKNGLRSA-N 1 3 182.311 1.597 10 0 ADAEHO CC1(C)[C@@H](N2CCC2(C)C)C[C@H]1[NH3+] 575595103 352852967 /nfs/dbraw/zinc/85/29/67/352852967.db2.gz VOZJGIZZEQKCQG-BDAKNGLRSA-N 1 3 182.311 1.597 10 0 ADAEHO C1CC[C@@H]2C[N@@H+](CC3CNC3)[C@H]2C1 575595142 352853415 /nfs/dbraw/zinc/85/34/15/352853415.db2.gz VZUNEOVFLWXDOW-MNOVXSKESA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@@H]2C[N@H+](CC3CNC3)[C@H]2C1 575595142 352853417 /nfs/dbraw/zinc/85/34/17/352853417.db2.gz VZUNEOVFLWXDOW-MNOVXSKESA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1CN([C@H]2CCC[NH2+]CC2)[C@@H]1C 575595131 352853482 /nfs/dbraw/zinc/85/34/82/352853482.db2.gz VXPSTSWIKGEKGQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@H]2CCCNCC2)[C@@H]1C 575595131 352853485 /nfs/dbraw/zinc/85/34/85/352853485.db2.gz VXPSTSWIKGEKGQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@H+]([C@H]2CCCNCC2)[C@@H]1C 575595131 352853488 /nfs/dbraw/zinc/85/34/88/352853488.db2.gz VXPSTSWIKGEKGQ-MXWKQRLJSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@@H]1CCC[NH2+]CC1 575595132 352853512 /nfs/dbraw/zinc/85/35/12/352853512.db2.gz VXPSTSWIKGEKGQ-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCCNCC1 575595132 352853515 /nfs/dbraw/zinc/85/35/15/352853515.db2.gz VXPSTSWIKGEKGQ-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCNCC1 575595132 352853518 /nfs/dbraw/zinc/85/35/18/352853518.db2.gz VXPSTSWIKGEKGQ-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@H]21 575595162 352853538 /nfs/dbraw/zinc/85/35/38/352853538.db2.gz WMENQZGSBKLQMG-QEYWKRMJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H]2CCC[C@@H]21 575595162 352853542 /nfs/dbraw/zinc/85/35/42/352853542.db2.gz WMENQZGSBKLQMG-QEYWKRMJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]21 575595163 352853580 /nfs/dbraw/zinc/85/35/80/352853580.db2.gz WMENQZGSBKLQMG-XKNYDFJKSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]21 575595163 352853582 /nfs/dbraw/zinc/85/35/82/352853582.db2.gz WMENQZGSBKLQMG-XKNYDFJKSA-N 1 3 168.284 1.206 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)C[N@H+]2CC1CNC1 575595144 352853662 /nfs/dbraw/zinc/85/36/62/352853662.db2.gz VZUNEOVFLWXDOW-WDEREUQCSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@@H]2[C@@H](C1)C[N@@H+]2CC1CNC1 575595144 352853666 /nfs/dbraw/zinc/85/36/66/352853666.db2.gz VZUNEOVFLWXDOW-WDEREUQCSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@H]2[C@@H](C1)C[N@H+]2CC1CNC1 575595143 352853689 /nfs/dbraw/zinc/85/36/89/352853689.db2.gz VZUNEOVFLWXDOW-QWRGUYRKSA-N 1 3 180.295 1.080 10 0 ADAEHO C1CC[C@H]2[C@@H](C1)C[N@@H+]2CC1CNC1 575595143 352853691 /nfs/dbraw/zinc/85/36/91/352853691.db2.gz VZUNEOVFLWXDOW-QWRGUYRKSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H]2CCC[C@H]21 575595161 352853703 /nfs/dbraw/zinc/85/37/03/352853703.db2.gz WMENQZGSBKLQMG-AXTSPUMRSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H]2CCC[C@H]21 575595161 352853707 /nfs/dbraw/zinc/85/37/07/352853707.db2.gz WMENQZGSBKLQMG-AXTSPUMRSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1CN([C@@H]2CCC[NH2+]CC2)[C@@H]1C 575595130 352853773 /nfs/dbraw/zinc/85/37/73/352853773.db2.gz VXPSTSWIKGEKGQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCNCC2)[C@@H]1C 575595130 352853775 /nfs/dbraw/zinc/85/37/75/352853775.db2.gz VXPSTSWIKGEKGQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCCNCC2)[C@@H]1C 575595130 352853778 /nfs/dbraw/zinc/85/37/78/352853778.db2.gz VXPSTSWIKGEKGQ-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)CN1[C@H]1CCC[NH2+]CC1 575595133 352853877 /nfs/dbraw/zinc/85/38/77/352853877.db2.gz VXPSTSWIKGEKGQ-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)C[N@H+]1[C@H]1CCCNCC1 575595133 352853880 /nfs/dbraw/zinc/85/38/80/352853880.db2.gz VXPSTSWIKGEKGQ-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1[C@H](C)C[N@@H+]1[C@H]1CCCNCC1 575595133 352853882 /nfs/dbraw/zinc/85/38/82/352853882.db2.gz VXPSTSWIKGEKGQ-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]21 575595160 352853907 /nfs/dbraw/zinc/85/39/07/352853907.db2.gz WMENQZGSBKLQMG-AATLWQCWSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]21 575595160 352853911 /nfs/dbraw/zinc/85/39/11/352853911.db2.gz WMENQZGSBKLQMG-AATLWQCWSA-N 1 3 168.284 1.206 10 0 ADAEHO [NH3+][C@H]1CC[C@H](N2CCC23CCC3)C1 575595363 352854329 /nfs/dbraw/zinc/85/43/29/352854329.db2.gz FKLHRQYNKGXMJR-UWVGGRQHSA-N 1 3 180.295 1.495 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](N2CCC23CCC3)C1 575595364 352854344 /nfs/dbraw/zinc/85/43/44/352854344.db2.gz FKLHRQYNKGXMJR-VHSXEESVSA-N 1 3 180.295 1.495 10 0 ADAEHO C[C@]1([NH3+])CCN(C[C@H]2CC23CC3)C1 575595253 352854444 /nfs/dbraw/zinc/85/44/44/352854444.db2.gz YXHZMTBDBQEWCO-ZJUUUORDSA-N 1 3 180.295 1.210 10 0 ADAEHO C[C@]1([NH3+])CCN(C[C@@H]2CC23CC3)C1 575595251 352854494 /nfs/dbraw/zinc/85/44/94/352854494.db2.gz YXHZMTBDBQEWCO-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO C[C@@]1([NH3+])CCN(C[C@@H]2CC23CC3)C1 575595252 352854528 /nfs/dbraw/zinc/85/45/28/352854528.db2.gz YXHZMTBDBQEWCO-VHSXEESVSA-N 1 3 180.295 1.210 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](N2CCC23CCC3)C1 575595362 352854538 /nfs/dbraw/zinc/85/45/38/352854538.db2.gz FKLHRQYNKGXMJR-NXEZZACHSA-N 1 3 180.295 1.495 10 0 ADAEHO [NH3+][C@@H]1CC[C@H](N2CCC23CCC3)C1 575595365 352854560 /nfs/dbraw/zinc/85/45/60/352854560.db2.gz FKLHRQYNKGXMJR-ZJUUUORDSA-N 1 3 180.295 1.495 10 0 ADAEHO C[C@@]1([NH3+])CCN(C[C@H]2CC23CC3)C1 575595250 352854892 /nfs/dbraw/zinc/85/48/92/352854892.db2.gz YXHZMTBDBQEWCO-NXEZZACHSA-N 1 3 180.295 1.210 10 0 ADAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCC12CCC2 575595381 352855109 /nfs/dbraw/zinc/85/51/09/352855109.db2.gz GJGCTACHNYNXRQ-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H](N)[C@@H](C)[N@H+]1CCC12CCC2 575595381 352855114 /nfs/dbraw/zinc/85/51/14/352855114.db2.gz GJGCTACHNYNXRQ-DTWKUNHWSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H](N)[C@@H](C)[NH+]1CCC2(CC1)CC2 575595409 352855159 /nfs/dbraw/zinc/85/51/59/352855159.db2.gz HJLNUCSDEAWZDC-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]([C@@H](C)N)[N@@H+]1CCC12CCC2 575595380 352855182 /nfs/dbraw/zinc/85/51/82/352855182.db2.gz GJGCTACHNYNXRQ-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]([C@@H](C)N)[N@H+]1CCC12CCC2 575595380 352855186 /nfs/dbraw/zinc/85/51/86/352855186.db2.gz GJGCTACHNYNXRQ-BDAKNGLRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H](N)[C@H](C)[NH+]1CCC2(CC1)CC2 575595408 352855199 /nfs/dbraw/zinc/85/51/99/352855199.db2.gz HJLNUCSDEAWZDC-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC12CCC2 575595382 352855268 /nfs/dbraw/zinc/85/52/68/352855268.db2.gz GJGCTACHNYNXRQ-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@H](N)[C@H](C)[N@H+]1CCC12CCC2 575595382 352855271 /nfs/dbraw/zinc/85/52/71/352855271.db2.gz GJGCTACHNYNXRQ-IUCAKERBSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H]([C@@H](C)N)[NH+]1CCC2(CC1)CC2 575595410 352855322 /nfs/dbraw/zinc/85/53/22/352855322.db2.gz HJLNUCSDEAWZDC-ZJUUUORDSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](N)[C@@H](C)[N@@H+]1CCC12CCC2 575595383 352855359 /nfs/dbraw/zinc/85/53/59/352855359.db2.gz GJGCTACHNYNXRQ-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H](N)[C@@H](C)[N@H+]1CCC12CCC2 575595383 352855362 /nfs/dbraw/zinc/85/53/62/352855362.db2.gz GJGCTACHNYNXRQ-RKDXNWHRSA-N 1 3 168.284 1.351 10 0 ADAEHO [NH3+]C1CC(N2CCC23CCC3)C1 575595501 352855460 /nfs/dbraw/zinc/85/54/60/352855460.db2.gz MBBVDEYHXXRAGP-UHFFFAOYSA-N 1 3 166.268 1.105 10 0 ADAEHO C[C@@H](N)[C@@H](C)[NH+]1CCC2(CC1)CC2 575595407 352855467 /nfs/dbraw/zinc/85/54/67/352855467.db2.gz HJLNUCSDEAWZDC-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO NC[C@@H]1CC[C@H]1[N@H+]1CCC12CCC2 575595699 352856033 /nfs/dbraw/zinc/85/60/33/352856033.db2.gz UDRBEXWDPREWEA-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CCC12CCC2 575595698 352855860 /nfs/dbraw/zinc/85/58/60/352855860.db2.gz UDRBEXWDPREWEA-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1CCC12CCC2 575595698 352855865 /nfs/dbraw/zinc/85/58/65/352855865.db2.gz UDRBEXWDPREWEA-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@@H]1CC[C@@H]1[N@H+]1CCC12CCC2 575595698 352855866 /nfs/dbraw/zinc/85/58/66/352855866.db2.gz UDRBEXWDPREWEA-UWVGGRQHSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+]C[C@H]1CC[C@@H]1N1CCC12CCC2 575595700 352855896 /nfs/dbraw/zinc/85/58/96/352855896.db2.gz UDRBEXWDPREWEA-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@H]1CC[C@@H]1[N@@H+]1CCC12CCC2 575595700 352855900 /nfs/dbraw/zinc/85/59/00/352855900.db2.gz UDRBEXWDPREWEA-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@H]1CC[C@@H]1[N@H+]1CCC12CCC2 575595700 352855902 /nfs/dbraw/zinc/85/59/02/352855902.db2.gz UDRBEXWDPREWEA-ZJUUUORDSA-N 1 3 180.295 1.352 10 0 ADAEHO [NH3+]C[C@@H]1CC[C@H]1N1CCC12CCC2 575595699 352856027 /nfs/dbraw/zinc/85/60/27/352856027.db2.gz UDRBEXWDPREWEA-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@@H]1CC[C@H]1[N@@H+]1CCC12CCC2 575595699 352856030 /nfs/dbraw/zinc/85/60/30/352856030.db2.gz UDRBEXWDPREWEA-VHSXEESVSA-N 1 3 180.295 1.352 10 0 ADAEHO C1CCC2(C1)CCN2CC1C[NH2+]C1 575595644 352856071 /nfs/dbraw/zinc/85/60/71/352856071.db2.gz PYXBVGZQUZRREV-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO C1CCC2(C1)CC[N@H+]2CC1CNC1 575595644 352856076 /nfs/dbraw/zinc/85/60/76/352856076.db2.gz PYXBVGZQUZRREV-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO C1CCC2(C1)CC[N@@H+]2CC1CNC1 575595644 352856081 /nfs/dbraw/zinc/85/60/81/352856081.db2.gz PYXBVGZQUZRREV-UHFFFAOYSA-N 1 3 180.295 1.224 10 0 ADAEHO NC1CC([N@@H+]2CCC23CCCC3)C1 575595693 352856232 /nfs/dbraw/zinc/85/62/32/352856232.db2.gz TZWWCGGQAZGVBS-UHFFFAOYSA-N 1 3 180.295 1.495 10 0 ADAEHO NC1CC([N@H+]2CCC23CCCC3)C1 575595693 352856236 /nfs/dbraw/zinc/85/62/36/352856236.db2.gz TZWWCGGQAZGVBS-UHFFFAOYSA-N 1 3 180.295 1.495 10 0 ADAEHO [NH3+]C1CC(N2CCC23CCCC3)C1 575595693 352856239 /nfs/dbraw/zinc/85/62/39/352856239.db2.gz TZWWCGGQAZGVBS-UHFFFAOYSA-N 1 3 180.295 1.495 10 0 ADAEHO [NH3+]C[C@H]1CC[C@H]1N1CCC12CCC2 575595697 352856288 /nfs/dbraw/zinc/85/62/88/352856288.db2.gz UDRBEXWDPREWEA-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@H]1CC[C@H]1[N@@H+]1CCC12CCC2 575595697 352856290 /nfs/dbraw/zinc/85/62/90/352856290.db2.gz UDRBEXWDPREWEA-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO NC[C@H]1CC[C@H]1[N@H+]1CCC12CCC2 575595697 352856292 /nfs/dbraw/zinc/85/62/92/352856292.db2.gz UDRBEXWDPREWEA-NXEZZACHSA-N 1 3 180.295 1.352 10 0 ADAEHO C1[NH2+]CC1CN1CCC2(CC1)CC2 575595560 352856375 /nfs/dbraw/zinc/85/63/75/352856375.db2.gz OZSVQHHNICXMOI-UHFFFAOYSA-N 1 3 180.295 1.082 10 0 ADAEHO [NH3+]C1CC(N2CCC3(CC2)CC3)C1 575595848 352856582 /nfs/dbraw/zinc/85/65/82/352856582.db2.gz XHXOFWNOEWQXKO-UHFFFAOYSA-N 1 3 180.295 1.352 10 0 ADAEHO C[C@@H]([NH3+])[C@@H](C)N1CCC12CCCC2 575595842 352856616 /nfs/dbraw/zinc/85/66/16/352856616.db2.gz XCAACFCZQHZDIL-NXEZZACHSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)N1CCC12CCCC2 575595846 352856693 /nfs/dbraw/zinc/85/66/93/352856693.db2.gz XCAACFCZQHZDIL-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@@H]([C@@H](C)[NH3+])N1CCC12CCCC2 575595847 352856829 /nfs/dbraw/zinc/85/68/29/352856829.db2.gz XCAACFCZQHZDIL-ZJUUUORDSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H]([NH3+])[C@H](C)N1CCC12CCCC2 575595843 352857040 /nfs/dbraw/zinc/85/70/40/352857040.db2.gz XCAACFCZQHZDIL-UWVGGRQHSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@H](C)N1CC[C@H]([NH3+])[C@@H]1C 643075356 352936486 /nfs/dbraw/zinc/93/64/86/352936486.db2.gz BQAVEIYSGMHPAG-VGMNWLOBSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1NCCCF 643077232 352936801 /nfs/dbraw/zinc/93/68/01/352936801.db2.gz HFMLHMOHADGVII-KXUCPTDWSA-N 1 3 188.290 1.322 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCCF 643077231 352936865 /nfs/dbraw/zinc/93/68/65/352936865.db2.gz HFMLHMOHADGVII-BBBLOLIVSA-N 1 3 188.290 1.322 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1NCCCF 643077234 352936875 /nfs/dbraw/zinc/93/68/75/352936875.db2.gz HFMLHMOHADGVII-UTLUCORTSA-N 1 3 188.290 1.322 10 0 ADAEHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCCF 643077233 352936881 /nfs/dbraw/zinc/93/68/81/352936881.db2.gz HFMLHMOHADGVII-OPRDCNLKSA-N 1 3 188.290 1.322 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H](C)F 643491037 352965536 /nfs/dbraw/zinc/96/55/36/352965536.db2.gz UKUALXFDQPUCMZ-CIUDSAMLSA-N 1 3 176.279 1.450 10 0 ADAEHO C[NH2+]CCN[C@H](C)[C@H]1CC1(C)C 643504689 352977023 /nfs/dbraw/zinc/97/70/23/352977023.db2.gz XZXYUJBNJUGDBT-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]([NH2+][C@H](C)C1CNC1)C1CCCC1 643454042 352952554 /nfs/dbraw/zinc/95/25/54/352952554.db2.gz HEDFFTKEHVDZBB-NXEZZACHSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H](C)C1CCCC1)C1CNC1 643454045 352952559 /nfs/dbraw/zinc/95/25/59/352952559.db2.gz HEDFFTKEHVDZBB-ZJUUUORDSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643453719 352952572 /nfs/dbraw/zinc/95/25/72/352952572.db2.gz VPMXGTKWQJZVRB-IMVDIYLYSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCCNC1 643453492 352952641 /nfs/dbraw/zinc/95/26/41/352952641.db2.gz HHKLJWDVJVTJME-YTWAJWBKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCNC1 643453122 352952655 /nfs/dbraw/zinc/95/26/55/352952655.db2.gz IRLUPUMPVVFDFQ-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]([NH2+][C@@H](C)C1CNC1)C1CCCC1 643454043 352952658 /nfs/dbraw/zinc/95/26/58/352952658.db2.gz HEDFFTKEHVDZBB-UWVGGRQHSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 643453490 352952696 /nfs/dbraw/zinc/95/26/96/352952696.db2.gz HHKLJWDVJVTJME-DBIOUOCHSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[C@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643453718 352952707 /nfs/dbraw/zinc/95/27/07/352952707.db2.gz VPMXGTKWQJZVRB-FCGXGWFWSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCNC1 643453119 352952711 /nfs/dbraw/zinc/95/27/11/352952711.db2.gz IRLUPUMPVVFDFQ-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]1C[C@@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643453721 352952761 /nfs/dbraw/zinc/95/27/61/352952761.db2.gz VPMXGTKWQJZVRB-KLDZRKOQSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 643453493 352952847 /nfs/dbraw/zinc/95/28/47/352952847.db2.gz HHKLJWDVJVTJME-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643453720 352952798 /nfs/dbraw/zinc/95/27/98/352952798.db2.gz VPMXGTKWQJZVRB-IXVVEVSDSA-N 1 3 180.295 1.267 10 0 ADAEHO C[C@H]([NH2+][C@H](C)C1CNC1)C1CCCC1 643454044 352952825 /nfs/dbraw/zinc/95/28/25/352952825.db2.gz HEDFFTKEHVDZBB-VHSXEESVSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CCCNC1 643453491 352952856 /nfs/dbraw/zinc/95/28/56/352952856.db2.gz HHKLJWDVJVTJME-RCWTZXSCSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[NH2+][C@H](C)[C@@H]1CCCNC1 643454186 352952861 /nfs/dbraw/zinc/95/28/61/352952861.db2.gz RFXWBZPIGHREIZ-NXEZZACHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCNC1 643453121 352952928 /nfs/dbraw/zinc/95/29/28/352952928.db2.gz IRLUPUMPVVFDFQ-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCNC1 643453120 352952963 /nfs/dbraw/zinc/95/29/63/352952963.db2.gz IRLUPUMPVVFDFQ-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCC[NH2+][C@H](C)[C@@H]1CCCNC1 643454216 352953339 /nfs/dbraw/zinc/95/33/39/352953339.db2.gz ICCIJFSYABEYHZ-GHMZBOCLSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H]([NH2+]C1CC1)[C@H]1CCCNC1 643454239 352953361 /nfs/dbraw/zinc/95/33/61/352953361.db2.gz PFZNUWBDRCBCQF-BDAKNGLRSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H](NC1CC1)[C@H]1CCC[NH2+]C1 643454239 352953364 /nfs/dbraw/zinc/95/33/64/352953364.db2.gz PFZNUWBDRCBCQF-BDAKNGLRSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H]([NH2+]C1CC1)[C@@H]1CCCNC1 643454240 352953450 /nfs/dbraw/zinc/95/34/50/352953450.db2.gz PFZNUWBDRCBCQF-DTWKUNHWSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H](NC1CC1)[C@@H]1CCC[NH2+]C1 643454240 352953453 /nfs/dbraw/zinc/95/34/53/352953453.db2.gz PFZNUWBDRCBCQF-DTWKUNHWSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]([NH2+]C1CC1)[C@@H]1CCCNC1 643454242 352953501 /nfs/dbraw/zinc/95/35/01/352953501.db2.gz PFZNUWBDRCBCQF-RKDXNWHRSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H](NC1CC1)[C@@H]1CCC[NH2+]C1 643454242 352953503 /nfs/dbraw/zinc/95/35/03/352953503.db2.gz PFZNUWBDRCBCQF-RKDXNWHRSA-N 1 3 168.284 1.127 10 0 ADAEHO CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 643454188 352953592 /nfs/dbraw/zinc/95/35/92/352953592.db2.gz RFXWBZPIGHREIZ-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO CCC[NH2+][C@@H](C)[C@H]1CCCNC1 643454187 352953696 /nfs/dbraw/zinc/95/36/96/352953696.db2.gz RFXWBZPIGHREIZ-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H]([NH2+]C1CC1)[C@H]1CCCNC1 643454241 352953741 /nfs/dbraw/zinc/95/37/41/352953741.db2.gz PFZNUWBDRCBCQF-IUCAKERBSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@H](NC1CC1)[C@H]1CCC[NH2+]C1 643454241 352953744 /nfs/dbraw/zinc/95/37/44/352953744.db2.gz PFZNUWBDRCBCQF-IUCAKERBSA-N 1 3 168.284 1.127 10 0 ADAEHO CCC[NH2+][C@H](C)[C@H]1CCCNC1 643454189 352953791 /nfs/dbraw/zinc/95/37/91/352953791.db2.gz RFXWBZPIGHREIZ-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO CCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 643454219 352953806 /nfs/dbraw/zinc/95/38/06/352953806.db2.gz ICCIJFSYABEYHZ-WDEREUQCSA-N 1 3 184.327 1.764 10 0 ADAEHO CCCC[NH2+][C@@H](C)[C@H]1CCCNC1 643454218 352953818 /nfs/dbraw/zinc/95/38/18/352953818.db2.gz ICCIJFSYABEYHZ-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CCCC[NH2+][C@H](C)[C@H]1CCCNC1 643454217 352953881 /nfs/dbraw/zinc/95/38/81/352953881.db2.gz ICCIJFSYABEYHZ-MNOVXSKESA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H](C)C[C@H](C)N 643456882 352954159 /nfs/dbraw/zinc/95/41/59/352954159.db2.gz KYRWLJUBUJVWKP-OUAUKWLOSA-N 1 3 186.343 1.994 10 0 ADAEHO C[C@@H]([NH2+]CC1CCCCC1)C1CNC1 643455625 352954281 /nfs/dbraw/zinc/95/42/81/352954281.db2.gz HSNYUWDURMNZKF-SNVBAGLBSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+][C@H](C)C[C@H](C)N 643456881 352954338 /nfs/dbraw/zinc/95/43/38/352954338.db2.gz KYRWLJUBUJVWKP-GARJFASQSA-N 1 3 186.343 1.994 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+][C@@H](C)C[C@H](C)N 643456880 352954475 /nfs/dbraw/zinc/95/44/75/352954475.db2.gz KYRWLJUBUJVWKP-DCAQKATOSA-N 1 3 186.343 1.994 10 0 ADAEHO C[C@H]([NH2+]CC1CCCCC1)C1CNC1 643455624 352954492 /nfs/dbraw/zinc/95/44/92/352954492.db2.gz HSNYUWDURMNZKF-JTQLQIEISA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H](C)C1CNC1 643456895 352955074 /nfs/dbraw/zinc/95/50/74/352955074.db2.gz LLOLDIWEJYCURV-ZJUUUORDSA-N 1 3 184.327 1.476 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H](C)C1CNC1 643456936 352955089 /nfs/dbraw/zinc/95/50/89/352955089.db2.gz BJILEGSDFYVNEE-DTWKUNHWSA-N 1 3 170.300 1.228 10 0 ADAEHO C[C@H]([NH2+]CCC1CCCC1)C1CNC1 643458458 352955223 /nfs/dbraw/zinc/95/52/23/352955223.db2.gz GEMXCCBOEXZWBV-JTQLQIEISA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@H](C)C1CNC1 643456892 352955246 /nfs/dbraw/zinc/95/52/46/352955246.db2.gz LLOLDIWEJYCURV-NXEZZACHSA-N 1 3 184.327 1.476 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+][C@@H](C)C1CNC1 643456893 352955325 /nfs/dbraw/zinc/95/53/25/352955325.db2.gz LLOLDIWEJYCURV-UWVGGRQHSA-N 1 3 184.327 1.476 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+][C@H](C)C1CNC1 643456894 352955402 /nfs/dbraw/zinc/95/54/02/352955402.db2.gz LLOLDIWEJYCURV-VHSXEESVSA-N 1 3 184.327 1.476 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H](C)C1CNC1 643456937 352955662 /nfs/dbraw/zinc/95/56/62/352955662.db2.gz BJILEGSDFYVNEE-IUCAKERBSA-N 1 3 170.300 1.228 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N 643456883 352955691 /nfs/dbraw/zinc/95/56/91/352955691.db2.gz KYRWLJUBUJVWKP-VWYCJHECSA-N 1 3 186.343 1.994 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H](C)C1CNC1 643456935 352955708 /nfs/dbraw/zinc/95/57/08/352955708.db2.gz BJILEGSDFYVNEE-BDAKNGLRSA-N 1 3 170.300 1.228 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@H](C)C1CNC1 643456938 352955770 /nfs/dbraw/zinc/95/57/70/352955770.db2.gz BJILEGSDFYVNEE-RKDXNWHRSA-N 1 3 170.300 1.228 10 0 ADAEHO C[C@@H]([NH2+]CCC1CCCC1)C1CNC1 643458459 352955805 /nfs/dbraw/zinc/95/58/05/352955805.db2.gz GEMXCCBOEXZWBV-SNVBAGLBSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 643465961 352956970 /nfs/dbraw/zinc/95/69/70/352956970.db2.gz DSZYLPLRJACIHR-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC1(C[NH2+][C@H](C)C2CNC2)CC1 643465975 352957013 /nfs/dbraw/zinc/95/70/13/352957013.db2.gz FVIRFOYZEOGJOY-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO CCC1(C[NH2+][C@H](C)C[C@H](C)N)CC1 643465963 352957067 /nfs/dbraw/zinc/95/70/67/352957067.db2.gz DSZYLPLRJACIHR-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]([NH2+]CC1(C)CCC1)C1CNC1 643465933 352957088 /nfs/dbraw/zinc/95/70/88/352957088.db2.gz APPXQJIYEYPBKK-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]([NH2+]CC1(C)CCC1)C1CNC1 643465932 352957141 /nfs/dbraw/zinc/95/71/41/352957141.db2.gz APPXQJIYEYPBKK-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1CC([NH2+][C@@H](C)C[C@@H](C)N)C1 643465849 352957159 /nfs/dbraw/zinc/95/71/59/352957159.db2.gz YFVYRGLXFATNBH-MXAZLMSGSA-N 1 3 170.300 1.500 10 0 ADAEHO CC1CC([NH2+][C@H](C)C[C@@H](C)N)C1 643465848 352957239 /nfs/dbraw/zinc/95/72/39/352957239.db2.gz YFVYRGLXFATNBH-DSAQSWLYSA-N 1 3 170.300 1.500 10 0 ADAEHO CCC1(C[NH2+][C@@H](C)C2CNC2)CC1 643465976 352957261 /nfs/dbraw/zinc/95/72/61/352957261.db2.gz FVIRFOYZEOGJOY-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO CCC1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 643465962 352957311 /nfs/dbraw/zinc/95/73/11/352957311.db2.gz DSZYLPLRJACIHR-UWVGGRQHSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C)CCC1 643466046 352957337 /nfs/dbraw/zinc/95/73/37/352957337.db2.gz RXIZWPRVEODMKU-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+]CC1(C)CCC1 643466048 352957346 /nfs/dbraw/zinc/95/73/46/352957346.db2.gz RXIZWPRVEODMKU-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO CC1CC([NH2+][C@H](C)C[C@H](C)N)C1 643465847 352957361 /nfs/dbraw/zinc/95/73/61/352957361.db2.gz YFVYRGLXFATNBH-APTHBXDWSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+]CC1(C)CCC1 643466047 352957391 /nfs/dbraw/zinc/95/73/91/352957391.db2.gz RXIZWPRVEODMKU-UWVGGRQHSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 643465964 352957397 /nfs/dbraw/zinc/95/73/97/352957397.db2.gz DSZYLPLRJACIHR-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CC1CC([NH2+][C@@H](C)C[C@H](C)N)C1 643465850 352957457 /nfs/dbraw/zinc/95/74/57/352957457.db2.gz YFVYRGLXFATNBH-ZNHWEVIXSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH2+]CC1(C)CCC1 643466049 352957525 /nfs/dbraw/zinc/95/75/25/352957525.db2.gz RXIZWPRVEODMKU-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H]([NH2+][C@H](C)C1CNC1)C(C)C 643468274 352957790 /nfs/dbraw/zinc/95/77/90/352957790.db2.gz FGMHJROKHJPBEA-KOLCDFICSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@H]([NH2+][C@@H](C)C1CNC1)C(C)C 643468276 352957873 /nfs/dbraw/zinc/95/78/73/352957873.db2.gz FGMHJROKHJPBEA-ONGXEEELSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)C 643468273 352958084 /nfs/dbraw/zinc/95/80/84/352958084.db2.gz FGMHJROKHJPBEA-GXSJLCMTSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@@H]([NH2+][C@H](C)C1CNC1)C(C)C 643468275 352958137 /nfs/dbraw/zinc/95/81/37/352958137.db2.gz FGMHJROKHJPBEA-MWLCHTKSSA-N 1 3 184.327 1.619 10 0 ADAEHO C[C@@H]([NH2+]CC1(C2CC2)CC1)C1CNC1 643468481 352958142 /nfs/dbraw/zinc/95/81/42/352958142.db2.gz CKNCRZHFJAMMKI-SECBINFHSA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@H]([NH2+]CC1(C2CC2)CC1)C1CNC1 643468482 352958283 /nfs/dbraw/zinc/95/82/83/352958283.db2.gz CKNCRZHFJAMMKI-VIFPVBQESA-N 1 3 194.322 1.374 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H](C)C1C[NH2+]C1 643470744 352958789 /nfs/dbraw/zinc/95/87/89/352958789.db2.gz CQIOTWNHUQYCMC-NGZCFLSTSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C1CNC1 643470744 352958791 /nfs/dbraw/zinc/95/87/91/352958791.db2.gz CQIOTWNHUQYCMC-NGZCFLSTSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@H]1N[C@@H](C)C1C[NH2+]C1 643470742 352958894 /nfs/dbraw/zinc/95/88/94/352958894.db2.gz CQIOTWNHUQYCMC-IQJOONFLSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CNC1 643470742 352958897 /nfs/dbraw/zinc/95/88/97/352958897.db2.gz CQIOTWNHUQYCMC-IQJOONFLSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H](C)C1C[NH2+]C1 643470743 352958906 /nfs/dbraw/zinc/95/89/06/352958906.db2.gz CQIOTWNHUQYCMC-KKZNHRDASA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CNC1 643470743 352958908 /nfs/dbraw/zinc/95/89/08/352958908.db2.gz CQIOTWNHUQYCMC-KKZNHRDASA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@H]1N[C@H](C)C1C[NH2+]C1 643470741 352958982 /nfs/dbraw/zinc/95/89/82/352958982.db2.gz CQIOTWNHUQYCMC-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C1CNC1 643470741 352958984 /nfs/dbraw/zinc/95/89/84/352958984.db2.gz CQIOTWNHUQYCMC-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]([NH2+]CCCF)[C@H]1CCCNC1 643474807 352960873 /nfs/dbraw/zinc/96/08/73/352960873.db2.gz QSFPHSACNMGMDU-ZJUUUORDSA-N 1 3 188.290 1.324 10 0 ADAEHO C[C@@H]([NH2+]CCCF)[C@@H]1CCCNC1 643474804 352960936 /nfs/dbraw/zinc/96/09/36/352960936.db2.gz QSFPHSACNMGMDU-NXEZZACHSA-N 1 3 188.290 1.324 10 0 ADAEHO C[C@H]([NH2+]CCCF)[C@H]1CCCNC1 643474805 352960950 /nfs/dbraw/zinc/96/09/50/352960950.db2.gz QSFPHSACNMGMDU-UWVGGRQHSA-N 1 3 188.290 1.324 10 0 ADAEHO C[C@H]([NH2+]CCCF)[C@@H]1CCCNC1 643474806 352961009 /nfs/dbraw/zinc/96/10/09/352961009.db2.gz QSFPHSACNMGMDU-VHSXEESVSA-N 1 3 188.290 1.324 10 0 ADAEHO CCOC[C@H](C)N[C@H](C)C[C@H](C)[NH3+] 643482772 352961715 /nfs/dbraw/zinc/96/17/15/352961715.db2.gz VHEHYJSTHJVSST-AEJSXWLSSA-N 1 3 188.315 1.127 10 0 ADAEHO CCOC[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] 643482775 352961883 /nfs/dbraw/zinc/96/18/83/352961883.db2.gz VHEHYJSTHJVSST-UTLUCORTSA-N 1 3 188.315 1.127 10 0 ADAEHO CCOC[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] 643482774 352961911 /nfs/dbraw/zinc/96/19/11/352961911.db2.gz VHEHYJSTHJVSST-GUBZILKMSA-N 1 3 188.315 1.127 10 0 ADAEHO CCOC[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] 643482773 352962001 /nfs/dbraw/zinc/96/20/01/352962001.db2.gz VHEHYJSTHJVSST-BBBLOLIVSA-N 1 3 188.315 1.127 10 0 ADAEHO CC(C)=CCN[C@@H](C)[C@H]1CCC[NH2+]C1 643484536 352962510 /nfs/dbraw/zinc/96/25/10/352962510.db2.gz YFVVLYBCUKYJCC-RYUDHWBXSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCNC1 643484536 352962513 /nfs/dbraw/zinc/96/25/13/352962513.db2.gz YFVVLYBCUKYJCC-RYUDHWBXSA-N 1 3 196.338 1.930 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC12CCCC2 643485269 352962568 /nfs/dbraw/zinc/96/25/68/352962568.db2.gz DRCWOFJTXSELBA-MXWKQRLJSA-N 1 3 194.322 1.789 10 0 ADAEHO CC(C)=CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 643484535 352962603 /nfs/dbraw/zinc/96/26/03/352962603.db2.gz YFVVLYBCUKYJCC-NWDGAFQWSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCNC1 643484535 352962606 /nfs/dbraw/zinc/96/26/06/352962606.db2.gz YFVVLYBCUKYJCC-NWDGAFQWSA-N 1 3 196.338 1.930 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC12CCCC2 643485270 352962673 /nfs/dbraw/zinc/96/26/73/352962673.db2.gz DRCWOFJTXSELBA-OUAUKWLOSA-N 1 3 194.322 1.789 10 0 ADAEHO CC(C)=CCN[C@H](C)[C@@H]1CCC[NH2+]C1 643484537 352962712 /nfs/dbraw/zinc/96/27/12/352962712.db2.gz YFVVLYBCUKYJCC-VXGBXAGGSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCNC1 643484537 352962714 /nfs/dbraw/zinc/96/27/14/352962714.db2.gz YFVVLYBCUKYJCC-VXGBXAGGSA-N 1 3 196.338 1.930 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC12CCCC2 643485268 352962742 /nfs/dbraw/zinc/96/27/42/352962742.db2.gz DRCWOFJTXSELBA-GMTAPVOTSA-N 1 3 194.322 1.789 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC12CCCC2 643485271 352962816 /nfs/dbraw/zinc/96/28/16/352962816.db2.gz DRCWOFJTXSELBA-VWYCJHECSA-N 1 3 194.322 1.789 10 0 ADAEHO CC1(C)CC(C[NH2+][C@@H]2CCNC2)C1 643483172 352962824 /nfs/dbraw/zinc/96/28/24/352962824.db2.gz XFKLVNDHGPUUIZ-SNVBAGLBSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)CC(C[NH2+]C2CCNCC2)C1 643483175 352962829 /nfs/dbraw/zinc/96/28/29/352962829.db2.gz ZHDIZTNJBBKLKE-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)CC(C[NH2+][C@H]2CCNC2)C1 643483171 352962920 /nfs/dbraw/zinc/96/29/20/352962920.db2.gz XFKLVNDHGPUUIZ-JTQLQIEISA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)=CCN[C@H](C)[C@H]1CCC[NH2+]C1 643484534 352962949 /nfs/dbraw/zinc/96/29/49/352962949.db2.gz YFVVLYBCUKYJCC-NEPJUHHUSA-N 1 3 196.338 1.930 10 0 ADAEHO CC1(CC[NH2+][C@@H]2CCCNCC2)CC1 643486473 352963409 /nfs/dbraw/zinc/96/34/09/352963409.db2.gz MWPJQTJEIMSQHM-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(CC[NH2+][C@@H]2CCNC2)CC1 643486459 352963629 /nfs/dbraw/zinc/96/36/29/352963629.db2.gz FOSDXTOXDSYZMB-SECBINFHSA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@H]1CC[C@@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643489000 352963327 /nfs/dbraw/zinc/96/33/27/352963327.db2.gz GVEOIBTVUIWTAU-GDGRRUBZSA-N 1 3 194.322 1.658 10 0 ADAEHO C[C@@H](N[C@@H]1CC[C@H]1C)[C@@H]1CCCC[NH2+]1 643489017 352963366 /nfs/dbraw/zinc/96/33/66/352963366.db2.gz JUIHYXWCJZPHOB-KKOKHZNYSA-N 1 3 196.338 1.905 10 0 ADAEHO CC1(CC[NH2+][C@H]2CCCNCC2)CC1 643486474 352963453 /nfs/dbraw/zinc/96/34/53/352963453.db2.gz MWPJQTJEIMSQHM-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CC1(CC[NH2+][C@H]2CCNC2)CC1 643486460 352963485 /nfs/dbraw/zinc/96/34/85/352963485.db2.gz FOSDXTOXDSYZMB-VIFPVBQESA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@H](N[C@@H]1CC[C@H]1C)[C@H]1CCCC[NH2+]1 643489021 352963498 /nfs/dbraw/zinc/96/34/98/352963498.db2.gz JUIHYXWCJZPHOB-WRWGMCAJSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C 643489031 352963566 /nfs/dbraw/zinc/96/35/66/352963566.db2.gz KPSJLMOUWZEBRT-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643489004 352963608 /nfs/dbraw/zinc/96/36/08/352963608.db2.gz GVEOIBTVUIWTAU-NXQJVVEESA-N 1 3 194.322 1.658 10 0 ADAEHO CC1(CC[NH2+]C2CCNCC2)CC1 643486479 352963616 /nfs/dbraw/zinc/96/36/16/352963616.db2.gz OMLAKHOXVMSLKB-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@H]1CC[C@H]1[NH2+][C@H]1CCNCC[C@H]1C 643489038 352963636 /nfs/dbraw/zinc/96/36/36/352963636.db2.gz KPSJLMOUWZEBRT-QCNOEVLYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643488999 352963646 /nfs/dbraw/zinc/96/36/46/352963646.db2.gz GVEOIBTVUIWTAU-ARHMULMVSA-N 1 3 194.322 1.658 10 0 ADAEHO C[C@H](N[C@@H]1CC[C@H]1C)[C@@H]1CCCC[NH2+]1 643489019 352963699 /nfs/dbraw/zinc/96/36/99/352963699.db2.gz JUIHYXWCJZPHOB-KXNHARMFSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1CC[C@H]1N[C@H](C)[C@H]1CCCC[NH2+]1 643489016 352963732 /nfs/dbraw/zinc/96/37/32/352963732.db2.gz JUIHYXWCJZPHOB-DDHJBXDOSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CC[C@H]1NC1C[C@@H]2CC[C@H](C1)[NH2+]2 643489002 352963740 /nfs/dbraw/zinc/96/37/40/352963740.db2.gz GVEOIBTVUIWTAU-LAVVOLMRSA-N 1 3 194.322 1.658 10 0 ADAEHO C[C@H](F)CC[NH2+][C@@H]1CCCNCC1 643490987 352964219 /nfs/dbraw/zinc/96/42/19/352964219.db2.gz JKVSFLDWMZYURR-VHSXEESVSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H](F)CCN[C@@H]1CCC[NH2+]CC1 643490987 352964222 /nfs/dbraw/zinc/96/42/22/352964222.db2.gz JKVSFLDWMZYURR-VHSXEESVSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCCNC1 643489056 352964364 /nfs/dbraw/zinc/96/43/64/352964364.db2.gz MOJFHYDKRYJIDB-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+]CCCCF 643490217 352964378 /nfs/dbraw/zinc/96/43/78/352964378.db2.gz XHLGGCMGALJZAG-DTWKUNHWSA-N 1 3 176.279 1.452 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 643489055 352964389 /nfs/dbraw/zinc/96/43/89/352964389.db2.gz MOJFHYDKRYJIDB-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 643489059 352964395 /nfs/dbraw/zinc/96/43/95/352964395.db2.gz MOJFHYDKRYJIDB-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+]CCCCF 643490218 352964457 /nfs/dbraw/zinc/96/44/57/352964457.db2.gz XHLGGCMGALJZAG-IUCAKERBSA-N 1 3 176.279 1.452 10 0 ADAEHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H]1C 643489041 352964439 /nfs/dbraw/zinc/96/44/39/352964439.db2.gz KPSJLMOUWZEBRT-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](F)CC[NH2+][C@H]1CCCNCC1 643490986 352964449 /nfs/dbraw/zinc/96/44/49/352964449.db2.gz JKVSFLDWMZYURR-UWVGGRQHSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H](F)CCN[C@H]1CCC[NH2+]CC1 643490986 352964451 /nfs/dbraw/zinc/96/44/51/352964451.db2.gz JKVSFLDWMZYURR-UWVGGRQHSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@H]1C 643489082 352964464 /nfs/dbraw/zinc/96/44/64/352964464.db2.gz PLSYBKKGYAYUFT-XKNYDFJKSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H]1C 643489079 352964475 /nfs/dbraw/zinc/96/44/75/352964475.db2.gz PLSYBKKGYAYUFT-KATARQTJSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCF 643490219 352964522 /nfs/dbraw/zinc/96/45/22/352964522.db2.gz XHLGGCMGALJZAG-RKDXNWHRSA-N 1 3 176.279 1.452 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C 643489081 352964553 /nfs/dbraw/zinc/96/45/53/352964553.db2.gz PLSYBKKGYAYUFT-XFWSIPNHSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@H]1CC[C@@H]1[NH2+][C@H]1CCNCC[C@H]1C 643489039 352964605 /nfs/dbraw/zinc/96/46/05/352964605.db2.gz KPSJLMOUWZEBRT-USZNOCQGSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CCCNC1 643489057 352964648 /nfs/dbraw/zinc/96/46/48/352964648.db2.gz MOJFHYDKRYJIDB-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](F)CC[NH2+][C@H]1CCCNCC1 643490988 352964677 /nfs/dbraw/zinc/96/46/77/352964677.db2.gz JKVSFLDWMZYURR-ZJUUUORDSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@@H](F)CCN[C@H]1CCC[NH2+]CC1 643490988 352964679 /nfs/dbraw/zinc/96/46/79/352964679.db2.gz JKVSFLDWMZYURR-ZJUUUORDSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C 643489076 352964685 /nfs/dbraw/zinc/96/46/85/352964685.db2.gz PLSYBKKGYAYUFT-AATLWQCWSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@@H](F)CC[NH2+][C@@H]1CCCNCC1 643490985 352964714 /nfs/dbraw/zinc/96/47/14/352964714.db2.gz JKVSFLDWMZYURR-NXEZZACHSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@@H](F)CCN[C@@H]1CCC[NH2+]CC1 643490985 352964717 /nfs/dbraw/zinc/96/47/17/352964717.db2.gz JKVSFLDWMZYURR-NXEZZACHSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH2+]CCCCF 643490216 352964755 /nfs/dbraw/zinc/96/47/55/352964755.db2.gz XHLGGCMGALJZAG-BDAKNGLRSA-N 1 3 176.279 1.452 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+]CC[C@H](C)F 643491040 352965280 /nfs/dbraw/zinc/96/52/80/352965280.db2.gz UKUALXFDQPUCMZ-XHNCKOQMSA-N 1 3 176.279 1.450 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)NCC[C@H](C)F 643491040 352965282 /nfs/dbraw/zinc/96/52/82/352965282.db2.gz UKUALXFDQPUCMZ-XHNCKOQMSA-N 1 3 176.279 1.450 10 0 ADAEHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@H]1CN 643491026 352965386 /nfs/dbraw/zinc/96/53/86/352965386.db2.gz QQUODGGVFMYYID-LPEHRKFASA-N 1 3 188.290 1.452 10 0 ADAEHO C[C@H](F)CC[NH2+][C@H]1CCC[C@H]1CN 643491024 352965437 /nfs/dbraw/zinc/96/54/37/352965437.db2.gz QQUODGGVFMYYID-GUBZILKMSA-N 1 3 188.290 1.452 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H](C)F 643491039 352965464 /nfs/dbraw/zinc/96/54/64/352965464.db2.gz UKUALXFDQPUCMZ-VGMNWLOBSA-N 1 3 176.279 1.450 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)NCC[C@@H](C)F 643491039 352965466 /nfs/dbraw/zinc/96/54/66/352965466.db2.gz UKUALXFDQPUCMZ-VGMNWLOBSA-N 1 3 176.279 1.450 10 0 ADAEHO C[C@H](F)CC[NH2+][C@H]1CCC[C@@H]1CN 643491023 352965488 /nfs/dbraw/zinc/96/54/88/352965488.db2.gz QQUODGGVFMYYID-AEJSXWLSSA-N 1 3 188.290 1.452 10 0 ADAEHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H]1CN 643491025 352965504 /nfs/dbraw/zinc/96/55/04/352965504.db2.gz QQUODGGVFMYYID-IVZWLZJFSA-N 1 3 188.290 1.452 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)NCC[C@H](C)F 643491037 352965538 /nfs/dbraw/zinc/96/55/38/352965538.db2.gz UKUALXFDQPUCMZ-CIUDSAMLSA-N 1 3 176.279 1.450 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+]CC[C@@H](C)F 643491038 352965554 /nfs/dbraw/zinc/96/55/54/352965554.db2.gz UKUALXFDQPUCMZ-HRDYMLBCSA-N 1 3 176.279 1.450 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)NCC[C@@H](C)F 643491038 352965557 /nfs/dbraw/zinc/96/55/57/352965557.db2.gz UKUALXFDQPUCMZ-HRDYMLBCSA-N 1 3 176.279 1.450 10 0 ADAEHO CC/C=C/CN[C@@H]1CC[NH2+]CC[C@@H]1C 643492349 352966259 /nfs/dbraw/zinc/96/62/59/352966259.db2.gz BMQHXEHVNHDGSF-RUULKOMLSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C\CN[C@@H]1CC[NH2+]CC[C@H]1C 643492350 352966296 /nfs/dbraw/zinc/96/62/96/352966296.db2.gz BMQHXEHVNHDGSF-XLMCQVRKSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C\CN[C@H](C)[C@@H]1CCC[NH2+]C1 643492344 352966369 /nfs/dbraw/zinc/96/63/69/352966369.db2.gz AZKCXUXGMMIEQU-XLMCQVRKSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C\C[NH2+][C@H](C)[C@@H]1CCCNC1 643492344 352966373 /nfs/dbraw/zinc/96/63/73/352966373.db2.gz AZKCXUXGMMIEQU-XLMCQVRKSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C\CN[C@H](C)[C@H]1CCC[NH2+]C1 643492342 352966431 /nfs/dbraw/zinc/96/64/31/352966431.db2.gz AZKCXUXGMMIEQU-JYYSYOFASA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C\C[NH2+][C@H](C)[C@H]1CCCNC1 643492342 352966432 /nfs/dbraw/zinc/96/64/32/352966432.db2.gz AZKCXUXGMMIEQU-JYYSYOFASA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C/CN[C@H](C)[C@@H]1CCC[NH2+]C1 643492341 352966482 /nfs/dbraw/zinc/96/64/82/352966482.db2.gz AZKCXUXGMMIEQU-GKUNOOHESA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C/C[NH2+][C@H](C)[C@@H]1CCCNC1 643492341 352966483 /nfs/dbraw/zinc/96/64/83/352966483.db2.gz AZKCXUXGMMIEQU-GKUNOOHESA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C\CN[C@@H]1CC[NH2+]CC[C@@H]1C 643492348 352966496 /nfs/dbraw/zinc/96/64/96/352966496.db2.gz BMQHXEHVNHDGSF-KBIXYVOKSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C/CN[C@H](C)[C@H]1CCC[NH2+]C1 643492343 352966573 /nfs/dbraw/zinc/96/65/73/352966573.db2.gz AZKCXUXGMMIEQU-RVAOTSRCSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C/C[NH2+][C@H](C)[C@H]1CCCNC1 643492343 352966575 /nfs/dbraw/zinc/96/65/75/352966575.db2.gz AZKCXUXGMMIEQU-RVAOTSRCSA-N 1 3 196.338 1.930 10 0 ADAEHO CC/C=C/CN[C@@H]1CC[NH2+]CC[C@H]1C 643492347 352966583 /nfs/dbraw/zinc/96/65/83/352966583.db2.gz BMQHXEHVNHDGSF-GKUNOOHESA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC1 643493184 352966931 /nfs/dbraw/zinc/96/69/31/352966931.db2.gz KSLQWHLGLGQIOP-DCAQKATOSA-N 1 3 182.311 1.230 10 0 ADAEHO C1CC([NH2+]C[C@@H]2C[C@H]2C2CC2)CCN1 643493553 352967056 /nfs/dbraw/zinc/96/70/56/352967056.db2.gz CCZBBVYNLSTBHL-JQWIXIFHSA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493594 352967089 /nfs/dbraw/zinc/96/70/89/352967089.db2.gz PSXGDEHVERWRQG-QCMRWSPLSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493596 352967182 /nfs/dbraw/zinc/96/71/82/352967182.db2.gz PSXGDEHVERWRQG-QSFUFRPTSA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC1 643493183 352967254 /nfs/dbraw/zinc/96/72/54/352967254.db2.gz KSLQWHLGLGQIOP-AXFHLTTASA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493595 352967382 /nfs/dbraw/zinc/96/73/82/352967382.db2.gz PSXGDEHVERWRQG-QCZKYFFMSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 643493593 352967387 /nfs/dbraw/zinc/96/73/87/352967387.db2.gz PSXGDEHVERWRQG-LSKIRQOJSA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCNCC1 643493201 352967512 /nfs/dbraw/zinc/96/75/12/352967512.db2.gz QUYXGPOJMANLNI-JQWIXIFHSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H](C[C@@H](C)[NH3+])N[C@H]1CC1(C)C 643495017 352967850 /nfs/dbraw/zinc/96/78/50/352967850.db2.gz RTIXDGRYJNBOEI-VGMNWLOBSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH2+][C@H]1CC1(C)C 643495017 352967855 /nfs/dbraw/zinc/96/78/55/352967855.db2.gz RTIXDGRYJNBOEI-VGMNWLOBSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]1N[C@H]1CCC[C@@H]1[NH3+] 643494473 352967867 /nfs/dbraw/zinc/96/78/67/352967867.db2.gz HEOQNAYJIZQXPK-NOOOWODRSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1CC1(C)C 643495022 352967923 /nfs/dbraw/zinc/96/79/23/352967923.db2.gz RWWSKDYXFZPNCQ-AXFHLTTASA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1CC1(C)C 643495022 352967927 /nfs/dbraw/zinc/96/79/27/352967927.db2.gz RWWSKDYXFZPNCQ-AXFHLTTASA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1CNC1 643493608 352967997 /nfs/dbraw/zinc/96/79/97/352967997.db2.gz SIGJIFBTYLDGHE-PEXQALLHSA-N 1 3 194.322 1.230 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1CC1(C)C 643495016 352968002 /nfs/dbraw/zinc/96/80/02/352968002.db2.gz RTIXDGRYJNBOEI-HLTSFMKQSA-N 1 3 170.300 1.500 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH2+][C@H]1CC1(C)C 643495016 352968005 /nfs/dbraw/zinc/96/80/05/352968005.db2.gz RTIXDGRYJNBOEI-HLTSFMKQSA-N 1 3 170.300 1.500 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] 643494475 352968022 /nfs/dbraw/zinc/96/80/22/352968022.db2.gz HEOQNAYJIZQXPK-WRWGMCAJSA-N 1 3 196.338 1.890 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]1N[C@H]1CCC[C@H]1[NH3+] 643494474 352968031 /nfs/dbraw/zinc/96/80/31/352968031.db2.gz HEOQNAYJIZQXPK-WISYIIOYSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1CNC1 643493609 352968071 /nfs/dbraw/zinc/96/80/71/352968071.db2.gz SIGJIFBTYLDGHE-QRTLGDNMSA-N 1 3 194.322 1.230 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[NH3+] 643494472 352968085 /nfs/dbraw/zinc/96/80/85/352968085.db2.gz HEOQNAYJIZQXPK-DDHJBXDOSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1CC1(C)C 643495023 352968716 /nfs/dbraw/zinc/96/87/16/352968716.db2.gz RWWSKDYXFZPNCQ-DCAQKATOSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC1(C)C 643495023 352968718 /nfs/dbraw/zinc/96/87/18/352968718.db2.gz RWWSKDYXFZPNCQ-DCAQKATOSA-N 1 3 196.338 1.763 10 0 ADAEHO NCCC[NH2+][C@H]1CC[C@H]1C1CCC1 643496765 352970027 /nfs/dbraw/zinc/97/00/27/352970027.db2.gz CYQMSMPIYCQGRV-QWRGUYRKSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1C[C@H]1C 643496281 352970065 /nfs/dbraw/zinc/97/00/65/352970065.db2.gz MPHXBVSMMGBPSE-WCABBAIRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCNCC1 643496279 352970084 /nfs/dbraw/zinc/97/00/84/352970084.db2.gz MPHXBVSMMGBPSE-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO NCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643496763 352970091 /nfs/dbraw/zinc/97/00/91/352970091.db2.gz CYQMSMPIYCQGRV-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCN 643496801 352970161 /nfs/dbraw/zinc/97/01/61/352970161.db2.gz OVRLGHIIYIKERH-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCN 643496812 352970188 /nfs/dbraw/zinc/97/01/88/352970188.db2.gz RWRSAYSODMLTEX-VWYCJHECSA-N 1 3 182.311 1.504 10 0 ADAEHO CCC(C)(C)[C@@H](C)[NH2+]CCCN 643496781 352970196 /nfs/dbraw/zinc/97/01/96/352970196.db2.gz HINDQOBLBUOQJO-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@H]1CC[C@H]1[NH2+]CCCN 643496778 352970229 /nfs/dbraw/zinc/97/02/29/352970229.db2.gz HBNFDBNHYKMPOK-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCN 643496811 352970264 /nfs/dbraw/zinc/97/02/64/352970264.db2.gz RWRSAYSODMLTEX-MXWKQRLJSA-N 1 3 182.311 1.504 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCN 643496800 352970292 /nfs/dbraw/zinc/97/02/92/352970292.db2.gz OVRLGHIIYIKERH-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]([NH2+]CCCN)C1C(C)(C)C1(C)C 643496705 352970314 /nfs/dbraw/zinc/97/03/14/352970314.db2.gz LTKKIPRVYCRBQU-VIFPVBQESA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@@H](Cc1ccoc1)NCCC[NH3+] 643496805 352970328 /nfs/dbraw/zinc/97/03/28/352970328.db2.gz PEYYEWXTKSDENA-VIFPVBQESA-N 1 3 182.267 1.149 10 0 ADAEHO C[C@@H](Cc1ccoc1)[NH2+]CCCN 643496805 352970333 /nfs/dbraw/zinc/97/03/33/352970333.db2.gz PEYYEWXTKSDENA-VIFPVBQESA-N 1 3 182.267 1.149 10 0 ADAEHO NCCC[NH2+][C@H]1CCC12CCC2 643496807 352970344 /nfs/dbraw/zinc/97/03/44/352970344.db2.gz PQVGXBGCGDHSRD-VIFPVBQESA-N 1 3 168.284 1.258 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCN 643496802 352970349 /nfs/dbraw/zinc/97/03/49/352970349.db2.gz OVRLGHIIYIKERH-VHSXEESVSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN 643496777 352970398 /nfs/dbraw/zinc/97/03/98/352970398.db2.gz HBNFDBNHYKMPOK-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO NCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 643496764 352970433 /nfs/dbraw/zinc/97/04/33/352970433.db2.gz CYQMSMPIYCQGRV-MNOVXSKESA-N 1 3 182.311 1.504 10 0 ADAEHO CC[C@@H]1CC[C@H]1[NH2+]CCCN 643496780 352970488 /nfs/dbraw/zinc/97/04/88/352970488.db2.gz HBNFDBNHYKMPOK-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO NCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 643496766 352970507 /nfs/dbraw/zinc/97/05/07/352970507.db2.gz CYQMSMPIYCQGRV-WDEREUQCSA-N 1 3 182.311 1.504 10 0 ADAEHO CCC(C)(C)[C@H](C)[NH2+]CCCN 643496782 352970538 /nfs/dbraw/zinc/97/05/38/352970538.db2.gz HINDQOBLBUOQJO-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCN 643496803 352970546 /nfs/dbraw/zinc/97/05/46/352970546.db2.gz OVRLGHIIYIKERH-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H]1CC[C@@H]1[NH2+]CCCN 643496779 352970564 /nfs/dbraw/zinc/97/05/64/352970564.db2.gz HBNFDBNHYKMPOK-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]([NH2+]CCCN)C1C(C)(C)C1(C)C 643496704 352970574 /nfs/dbraw/zinc/97/05/74/352970574.db2.gz LTKKIPRVYCRBQU-SECBINFHSA-N 1 3 198.354 1.996 10 0 ADAEHO NCCC[NH2+][C@@H]1CCC12CCCC2 643496770 352970582 /nfs/dbraw/zinc/97/05/82/352970582.db2.gz GBDSXQDVGSTBOO-SNVBAGLBSA-N 1 3 182.311 1.648 10 0 ADAEHO NCCC[NH2+]C1CCC2(CC1)CC2 643496749 352970609 /nfs/dbraw/zinc/97/06/09/352970609.db2.gz ALCGHWDIUQXDRB-UHFFFAOYSA-N 1 3 182.311 1.648 10 0 ADAEHO NCCC[NH2+][C@@H]1CCC12CCC2 643496806 352970626 /nfs/dbraw/zinc/97/06/26/352970626.db2.gz PQVGXBGCGDHSRD-SECBINFHSA-N 1 3 168.284 1.258 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCNCC1 643496280 352970634 /nfs/dbraw/zinc/97/06/34/352970634.db2.gz MPHXBVSMMGBPSE-KKZNHRDASA-N 1 3 182.311 1.373 10 0 ADAEHO NCCC[NH2+][C@@H](C1CCCC1)C1CC1 643496834 352971116 /nfs/dbraw/zinc/97/11/16/352971116.db2.gz ZODLYOKTQDQOQG-LBPRGKRZSA-N 1 3 196.338 1.894 10 0 ADAEHO CNCCC[NH2+][C@H](C)[C@H]1CC1(C)C 643498501 352971899 /nfs/dbraw/zinc/97/18/99/352971899.db2.gz MDBZLEKQGPSVSW-NXEZZACHSA-N 1 3 184.327 1.620 10 0 ADAEHO CNCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C 643498481 352971907 /nfs/dbraw/zinc/97/19/07/352971907.db2.gz IRGKJQLVSRDMIB-QJPTWQEYSA-N 1 3 196.338 1.764 10 0 ADAEHO CNCCC[NH2+][C@@H](C)[C@@H]1CC1(C)C 643498502 352971998 /nfs/dbraw/zinc/97/19/98/352971998.db2.gz MDBZLEKQGPSVSW-UWVGGRQHSA-N 1 3 184.327 1.620 10 0 ADAEHO CNCCC[NH2+][C@H](C)[C@@H]1CC1(C)C 643498504 352972096 /nfs/dbraw/zinc/97/20/96/352972096.db2.gz MDBZLEKQGPSVSW-ZJUUUORDSA-N 1 3 184.327 1.620 10 0 ADAEHO CNCCC[NH2+][C@@H](C)[C@H]1CC1(C)C 643498503 352972355 /nfs/dbraw/zinc/97/23/55/352972355.db2.gz MDBZLEKQGPSVSW-VHSXEESVSA-N 1 3 184.327 1.620 10 0 ADAEHO CNCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 643498483 352972376 /nfs/dbraw/zinc/97/23/76/352972376.db2.gz IRGKJQLVSRDMIB-UTUOFQBUSA-N 1 3 196.338 1.764 10 0 ADAEHO CNCCC[NH2+][C@H](C)[C@H]1C[C@H]1C 643498658 352972973 /nfs/dbraw/zinc/97/29/73/352972973.db2.gz VGCGWLCSEGYJOA-BBBLOLIVSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+]CCCN[C@@H](C)Cc1ccoc1 643498646 352973012 /nfs/dbraw/zinc/97/30/12/352973012.db2.gz QQNOXEWRYVDIKG-JTQLQIEISA-N 1 3 196.294 1.410 10 0 ADAEHO CNCCC[NH2+][C@H](C)[C@H]1C[C@@H]1C 643498657 352973190 /nfs/dbraw/zinc/97/31/90/352973190.db2.gz VGCGWLCSEGYJOA-AEJSXWLSSA-N 1 3 170.300 1.230 10 0 ADAEHO CNCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643498659 352973227 /nfs/dbraw/zinc/97/32/27/352973227.db2.gz VGCGWLCSEGYJOA-IVZWLZJFSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+]CCCN[C@H](C)Cc1ccoc1 643498647 352973334 /nfs/dbraw/zinc/97/33/34/352973334.db2.gz QQNOXEWRYVDIKG-SNVBAGLBSA-N 1 3 196.294 1.410 10 0 ADAEHO CNCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C 643498660 352973340 /nfs/dbraw/zinc/97/33/40/352973340.db2.gz VGCGWLCSEGYJOA-OPRDCNLKSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCNC1 643500988 352973786 /nfs/dbraw/zinc/97/37/86/352973786.db2.gz MYINTVBRZVJZNC-WYUUTHIRSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)C(C)(C)C 643504051 352973690 /nfs/dbraw/zinc/97/36/90/352973690.db2.gz GAFCRLLNDHRIFP-RKDXNWHRSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1C[C@H]1C 643502418 352973734 /nfs/dbraw/zinc/97/37/34/352973734.db2.gz FXYMBXNPMYLEOJ-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO CCNCCC[NH2+][C@H](C)[C@H]1C[C@@H]1C 643499245 352973749 /nfs/dbraw/zinc/97/37/49/352973749.db2.gz PSVKDCLBWIEZNR-AXFHLTTASA-N 1 3 184.327 1.620 10 0 ADAEHO CCNCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C 643499247 352973754 /nfs/dbraw/zinc/97/37/54/352973754.db2.gz PSVKDCLBWIEZNR-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@@H]([NH2+]CC[C@@H](C)N)C1CC1 643504049 352973797 /nfs/dbraw/zinc/97/37/97/352973797.db2.gz DYQAIDQTORWLEB-MWLCHTKSSA-N 1 3 184.327 1.748 10 0 ADAEHO CCNCCC[NH2+][C@H](C)[C@H]1C[C@H]1C 643499248 352973852 /nfs/dbraw/zinc/97/38/52/352973852.db2.gz PSVKDCLBWIEZNR-MXWKQRLJSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1C[C@H]1C 643502419 352973942 /nfs/dbraw/zinc/97/39/42/352973942.db2.gz FXYMBXNPMYLEOJ-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CCCC[NH2+]1 643502420 352974047 /nfs/dbraw/zinc/97/40/47/352974047.db2.gz FXYMBXNPMYLEOJ-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CCCC[NH2+]1 643502417 352974011 /nfs/dbraw/zinc/97/40/11/352974011.db2.gz FXYMBXNPMYLEOJ-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@H]1C[C@H]1C 643500987 352974063 /nfs/dbraw/zinc/97/40/63/352974063.db2.gz MYINTVBRZVJZNC-RHYQMDGZSA-N 1 3 196.338 1.620 10 0 ADAEHO CCNCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C 643499246 352974154 /nfs/dbraw/zinc/97/41/54/352974154.db2.gz PSVKDCLBWIEZNR-GMTAPVOTSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC1 643499715 352974190 /nfs/dbraw/zinc/97/41/90/352974190.db2.gz JXQFJWRPXAYRAP-HBNTYKKESA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCNC1 643500985 352974236 /nfs/dbraw/zinc/97/42/36/352974236.db2.gz MYINTVBRZVJZNC-KKOKHZNYSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1C[C@H]1C 643500986 352974293 /nfs/dbraw/zinc/97/42/93/352974293.db2.gz MYINTVBRZVJZNC-KXNHARMFSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]([NH2+]CC[C@@H](C)N)C(C)(C)C 643504050 352974299 /nfs/dbraw/zinc/97/42/99/352974299.db2.gz GAFCRLLNDHRIFP-BDAKNGLRSA-N 1 3 172.316 1.748 10 0 ADAEHO CC(C)[C@H]([NH2+]CC[C@@H](C)N)C1CC1 643504048 352974328 /nfs/dbraw/zinc/97/43/28/352974328.db2.gz DYQAIDQTORWLEB-KOLCDFICSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC1 643499714 352974340 /nfs/dbraw/zinc/97/43/40/352974340.db2.gz JXQFJWRPXAYRAP-AXFHLTTASA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]([NH2+]CC[C@@H](C)N)C1CC1 643504095 352974655 /nfs/dbraw/zinc/97/46/55/352974655.db2.gz UIERNAGMKZGBBO-SCZZXKLOSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)C1CCCC1 643504092 352974750 /nfs/dbraw/zinc/97/47/50/352974750.db2.gz UHNCPUGHEXMALC-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@H]([NH2+]CC[C@@H](C)N)C1CC1 643504094 352974808 /nfs/dbraw/zinc/97/48/08/352974808.db2.gz UIERNAGMKZGBBO-PSASIEDQSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)N 643504071 352974842 /nfs/dbraw/zinc/97/48/42/352974842.db2.gz LKQKJZJEIAAKBI-GMTAPVOTSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]([NH2+]CC[C@@H](C)N)C1CCCC1 643504093 352974849 /nfs/dbraw/zinc/97/48/49/352974849.db2.gz UHNCPUGHEXMALC-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C1CC([NH2+]CC[C@@H](C)N)C1 643504273 352974877 /nfs/dbraw/zinc/97/48/77/352974877.db2.gz DLLKUWJJFYBLOR-KPPDAEKUSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)C1CC(NCC[C@@H](C)[NH3+])C1 643504273 352974880 /nfs/dbraw/zinc/97/48/80/352974880.db2.gz DLLKUWJJFYBLOR-KPPDAEKUSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@H]([NH2+]CC[C@@H](C)N)C1CCC1 643504280 352975016 /nfs/dbraw/zinc/97/50/16/352975016.db2.gz FRMNIRYSLUBMID-KOLCDFICSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@H]([NH2+]CC[C@@H](C)N)C1CCC1 643504281 352975127 /nfs/dbraw/zinc/97/51/27/352975127.db2.gz FRMNIRYSLUBMID-MWLCHTKSSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H]([NH2+]CC[C@@H](C)N)C(C)C 643504115 352975161 /nfs/dbraw/zinc/97/51/61/352975161.db2.gz CLNPGFLVAPXTTO-ZJUUUORDSA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@@H]([NH2+]CC[C@@H](C)N)C(C)C 643504114 352975283 /nfs/dbraw/zinc/97/52/83/352975283.db2.gz CLNPGFLVAPXTTO-NXEZZACHSA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)N 643504072 352975291 /nfs/dbraw/zinc/97/52/91/352975291.db2.gz LKQKJZJEIAAKBI-MXWKQRLJSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C1CCC1)C1CC1 643504471 352976053 /nfs/dbraw/zinc/97/60/53/352976053.db2.gz VDUFGBIEVCXGOL-BXKDBHETSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H](C1CCC1)C1CC1 643504472 352976057 /nfs/dbraw/zinc/97/60/57/352976057.db2.gz VDUFGBIEVCXGOL-SKDRFNHKSA-N 1 3 196.338 1.892 10 0 ADAEHO C[NH2+]CCN[C@@H]1CCC[C@H]2C[C@]21C 643504699 352976865 /nfs/dbraw/zinc/97/68/65/352976865.db2.gz ZNJFKYPMEITBJX-HBNTYKKESA-N 1 3 182.311 1.374 10 0 ADAEHO C[NH2+]CCN[C@H](C)[C@@H]1CC1(C)C 643504686 352976881 /nfs/dbraw/zinc/97/68/81/352976881.db2.gz XZXYUJBNJUGDBT-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+]CCN[C@@H]1CCC[C@@H]2C[C@@]21C 643504700 352976957 /nfs/dbraw/zinc/97/69/57/352976957.db2.gz ZNJFKYPMEITBJX-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO C[NH2+]CCN[C@@H](C)[C@@H]1CC1(C)C 643504688 352977119 /nfs/dbraw/zinc/97/71/19/352977119.db2.gz XZXYUJBNJUGDBT-IUCAKERBSA-N 1 3 170.300 1.230 10 0 ADAEHO C[NH2+]CCN[C@@H](C)[C@H]1CC1(C)C 643504687 352977145 /nfs/dbraw/zinc/97/71/45/352977145.db2.gz XZXYUJBNJUGDBT-DTWKUNHWSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[NH2+]CCN[C@H](C)[C@H]1CC1(C)C 643505452 352977572 /nfs/dbraw/zinc/97/75/72/352977572.db2.gz NRFVLWAQDMLIRK-NXEZZACHSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCN[C@H](C)[C@@H]1CC1(C)C 643505455 352977597 /nfs/dbraw/zinc/97/75/97/352977597.db2.gz NRFVLWAQDMLIRK-ZJUUUORDSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCN[C@@H]1CCC[C@H]2C[C@]21C 643505422 352977822 /nfs/dbraw/zinc/97/78/22/352977822.db2.gz DBCMPVHJQBJNHO-QJPTWQEYSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH2+]CCN[C@@H]1CCC[C@@H]2C[C@@]21C 643505424 352977828 /nfs/dbraw/zinc/97/78/28/352977828.db2.gz DBCMPVHJQBJNHO-UTUOFQBUSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH2+]CCN[C@@H](C)[C@@H]1CC1(C)C 643505453 352978091 /nfs/dbraw/zinc/97/80/91/352978091.db2.gz NRFVLWAQDMLIRK-UWVGGRQHSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCN[C@@H](C)[C@H]1CC1(C)C 643505454 352978194 /nfs/dbraw/zinc/97/81/94/352978194.db2.gz NRFVLWAQDMLIRK-VHSXEESVSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCN1 643505870 352978631 /nfs/dbraw/zinc/97/86/31/352978631.db2.gz BYDRWTKDBPNQBI-ZNSHCXBVSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1CCCN1)[C@H]1C[C@H]1C 643505869 352978640 /nfs/dbraw/zinc/97/86/40/352978640.db2.gz BYDRWTKDBPNQBI-YTWAJWBKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1CCCN1)[C@H]1C[C@H]1C 643505868 352978675 /nfs/dbraw/zinc/97/86/75/352978675.db2.gz BYDRWTKDBPNQBI-RCWTZXSCSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[NH2+]CCN[C@H](C)[C@H]1C[C@H]1C 643505690 352979012 /nfs/dbraw/zinc/97/90/12/352979012.db2.gz VDRGFQCRRLHTGN-BBBLOLIVSA-N 1 3 170.300 1.230 10 0 ADAEHO CCNCC[NH2+][C@@H](C)Cc1ccoc1 643505603 352979064 /nfs/dbraw/zinc/97/90/64/352979064.db2.gz HTCWIQIHWGWFGQ-JTQLQIEISA-N 1 3 196.294 1.410 10 0 ADAEHO CC[NH2+]CCN[C@H](C)[C@H]1C[C@@H]1C 643505689 352979083 /nfs/dbraw/zinc/97/90/83/352979083.db2.gz VDRGFQCRRLHTGN-AEJSXWLSSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCN1 643505867 352979147 /nfs/dbraw/zinc/97/91/47/352979147.db2.gz BYDRWTKDBPNQBI-DBIOUOCHSA-N 1 3 182.311 1.373 10 0 ADAEHO CCNCC[NH2+][C@H](C)Cc1ccoc1 643505604 352979262 /nfs/dbraw/zinc/97/92/62/352979262.db2.gz HTCWIQIHWGWFGQ-SNVBAGLBSA-N 1 3 196.294 1.410 10 0 ADAEHO CC[NH2+]CCN[C@H](C)[C@@H]1C[C@H]1C 643505692 352979307 /nfs/dbraw/zinc/97/93/07/352979307.db2.gz VDRGFQCRRLHTGN-OPRDCNLKSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[NH2+]CCN[C@H](C)[C@@H]1C[C@@H]1C 643505691 352979337 /nfs/dbraw/zinc/97/93/37/352979337.db2.gz VDRGFQCRRLHTGN-IVZWLZJFSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)C1CC(NC[C@@H]([NH3+])C(C)C)C1 643511824 352982415 /nfs/dbraw/zinc/98/24/15/352982415.db2.gz RPVWNGTYSZRHIX-HTAVTVPLSA-N 1 3 198.354 1.994 10 0 ADAEHO CC(C)C1CC(NC[C@H]([NH3+])C(C)C)C1 643511825 352982555 /nfs/dbraw/zinc/98/25/55/352982555.db2.gz RPVWNGTYSZRHIX-MCIGGMRASA-N 1 3 198.354 1.994 10 0 ADAEHO CC(C)C1CC(NCC(C)(C)[NH3+])C1 643513344 352984534 /nfs/dbraw/zinc/98/45/34/352984534.db2.gz XPHGUEQLOWOIHK-UHFFFAOYSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C 643514994 352985144 /nfs/dbraw/zinc/98/51/44/352985144.db2.gz QAJPJVLYLVEHTK-GMTAPVOTSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 643514996 352985234 /nfs/dbraw/zinc/98/52/34/352985234.db2.gz QAJPJVLYLVEHTK-OUAUKWLOSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H]1CC[C@H]1C(C)(C)C 643514995 352985321 /nfs/dbraw/zinc/98/53/21/352985321.db2.gz QAJPJVLYLVEHTK-MXWKQRLJSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C 643514997 352985370 /nfs/dbraw/zinc/98/53/70/352985370.db2.gz QAJPJVLYLVEHTK-VWYCJHECSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)C1CC([NH2+]C[C@H](C)CN)C1 643514776 352985431 /nfs/dbraw/zinc/98/54/31/352985431.db2.gz BEHFSMKLUOVYHF-KPPDAEKUSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C 643514841 352985457 /nfs/dbraw/zinc/98/54/57/352985457.db2.gz PJGXJTTWQVSAJL-WRWGMCAJSA-N 1 3 196.338 1.750 10 0 ADAEHO CC(C)C1CC([NH2+]C[C@@H](C)CN)C1 643514777 352985539 /nfs/dbraw/zinc/98/55/39/352985539.db2.gz BEHFSMKLUOVYHF-WHXUTIOJSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 643514839 352985705 /nfs/dbraw/zinc/98/57/05/352985705.db2.gz PJGXJTTWQVSAJL-KKOKHZNYSA-N 1 3 196.338 1.750 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccoc1 643515013 352986209 /nfs/dbraw/zinc/98/62/09/352986209.db2.gz RKABDCRDONLSRL-NXEZZACHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccoc1 643515013 352986212 /nfs/dbraw/zinc/98/62/12/352986212.db2.gz RKABDCRDONLSRL-NXEZZACHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H](C)CN 643515071 352986269 /nfs/dbraw/zinc/98/62/69/352986269.db2.gz YEOPGWBLIBGJTH-UTINFBMNSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@H](C)Cc1ccoc1 643515015 352986284 /nfs/dbraw/zinc/98/62/84/352986284.db2.gz RKABDCRDONLSRL-VHSXEESVSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](C[NH3+])CN[C@H](C)Cc1ccoc1 643515015 352986287 /nfs/dbraw/zinc/98/62/87/352986287.db2.gz RKABDCRDONLSRL-VHSXEESVSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)[C@@H]1C[C@H]1C 643515072 352986306 /nfs/dbraw/zinc/98/63/06/352986306.db2.gz YEOPGWBLIBGJTH-ZYUZMQFOSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C)CN 643515070 352986517 /nfs/dbraw/zinc/98/65/17/352986517.db2.gz YEOPGWBLIBGJTH-RGOKHQFPSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)[C@H]1C[C@H]1C 643515069 352986608 /nfs/dbraw/zinc/98/66/08/352986608.db2.gz YEOPGWBLIBGJTH-KYXWUPHJSA-N 1 3 170.300 1.215 10 0 ADAEHO CCC1CCC([NH2+]CC2CNC2)CC1 643515645 352986614 /nfs/dbraw/zinc/98/66/14/352986614.db2.gz ALUGCKVBJYXOJZ-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)CN 643515016 352986635 /nfs/dbraw/zinc/98/66/35/352986635.db2.gz RKABDCRDONLSRL-ZJUUUORDSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](Cc1ccoc1)NC[C@H](C)C[NH3+] 643515016 352986637 /nfs/dbraw/zinc/98/66/37/352986637.db2.gz RKABDCRDONLSRL-ZJUUUORDSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccoc1 643515014 352986743 /nfs/dbraw/zinc/98/67/43/352986743.db2.gz RKABDCRDONLSRL-UWVGGRQHSA-N 1 3 196.294 1.395 10 0 ADAEHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccoc1 643515014 352986746 /nfs/dbraw/zinc/98/67/46/352986746.db2.gz RKABDCRDONLSRL-UWVGGRQHSA-N 1 3 196.294 1.395 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1[NH2+]CC1CNC1 643515974 352987213 /nfs/dbraw/zinc/98/72/13/352987213.db2.gz FCMDLXNJEPXDLY-MNOVXSKESA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H](CC1CCC1)[NH2+]CC1CNC1 643515951 352987229 /nfs/dbraw/zinc/98/72/29/352987229.db2.gz ACXRHSKPMPMGFJ-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1CNC1 643516086 352987236 /nfs/dbraw/zinc/98/72/36/352987236.db2.gz AODPMMQKUFKKJK-NEPJUHHUSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CC1CNC1 643516106 352987241 /nfs/dbraw/zinc/98/72/41/352987241.db2.gz DJLXJRHKMQOPLI-JFGNBEQYSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CNC1 643516127 352987290 /nfs/dbraw/zinc/98/72/90/352987290.db2.gz MJMWYLMXFICQRI-UTUOFQBUSA-N 1 3 194.322 1.374 10 0 ADAEHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CNC1 643516080 352987344 /nfs/dbraw/zinc/98/73/44/352987344.db2.gz AGMVOALMDFZYNQ-NEPJUHHUSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](CC1CCC1)[NH2+]CC1CNC1 643515950 352987361 /nfs/dbraw/zinc/98/73/61/352987361.db2.gz ACXRHSKPMPMGFJ-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H]1CCCC[C@H]1[NH2+]CC1CNC1 643516081 352987390 /nfs/dbraw/zinc/98/73/90/352987390.db2.gz AGMVOALMDFZYNQ-NWDGAFQWSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CNC1 643516128 352987406 /nfs/dbraw/zinc/98/74/06/352987406.db2.gz MJMWYLMXFICQRI-WOPDTQHZSA-N 1 3 194.322 1.374 10 0 ADAEHO CCCC[C@H](CC)[NH2+]CC1CNC1 643515984 352987419 /nfs/dbraw/zinc/98/74/19/352987419.db2.gz GYOAVNAGPGBGNF-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1CNC1 643516089 352987446 /nfs/dbraw/zinc/98/74/46/352987446.db2.gz AODPMMQKUFKKJK-VXGBXAGGSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1CNC1 643516088 352987474 /nfs/dbraw/zinc/98/74/74/352987474.db2.gz AODPMMQKUFKKJK-RYUDHWBXSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CNC1 643516082 352987515 /nfs/dbraw/zinc/98/75/15/352987515.db2.gz AGMVOALMDFZYNQ-RYUDHWBXSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1CNC1 643516087 352987528 /nfs/dbraw/zinc/98/75/28/352987528.db2.gz AODPMMQKUFKKJK-NWDGAFQWSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CNC1 643516083 352987545 /nfs/dbraw/zinc/98/75/45/352987545.db2.gz AGMVOALMDFZYNQ-VXGBXAGGSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]1CCC[C@H]1[NH2+]CC1CNC1 643515976 352987573 /nfs/dbraw/zinc/98/75/73/352987573.db2.gz FCMDLXNJEPXDLY-WDEREUQCSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H]1CCC[C@@H]1[NH2+]CC1CNC1 643515975 352987579 /nfs/dbraw/zinc/98/75/79/352987579.db2.gz FCMDLXNJEPXDLY-QWRGUYRKSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 643515952 352987599 /nfs/dbraw/zinc/98/75/99/352987599.db2.gz AJIRENXVSZNGIE-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]1CCC[C@H]([NH2+]CC2CNC2)C1 643515953 352987657 /nfs/dbraw/zinc/98/76/57/352987657.db2.gz AJIRENXVSZNGIE-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)[C@@H]1C 643515659 352987718 /nfs/dbraw/zinc/98/77/18/352987718.db2.gz GUCDPYAXKXIJNJ-CHWFTXMASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1N[C@H]1CCC[NH2+]C1 643515660 352987730 /nfs/dbraw/zinc/98/77/30/352987730.db2.gz GUCDPYAXKXIJNJ-VPOLOUISSA-N 1 3 182.311 1.373 10 0 ADAEHO CCCC[C@@H](CC)[NH2+]CC1CNC1 643515983 352987774 /nfs/dbraw/zinc/98/77/74/352987774.db2.gz GYOAVNAGPGBGNF-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H]1CCC[C@H]1[NH2+]CC1CNC1 643515973 352987803 /nfs/dbraw/zinc/98/78/03/352987803.db2.gz FCMDLXNJEPXDLY-GHMZBOCLSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H]1CCC[C@H]([NH2+]CC2CNC2)C1 643515954 352987809 /nfs/dbraw/zinc/98/78/09/352987809.db2.gz AJIRENXVSZNGIE-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)[C@@H]1C 643516104 352987839 /nfs/dbraw/zinc/98/78/39/352987839.db2.gz DJLXJRHKMQOPLI-CKYFFXLPSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]CC2CNC2)[C@@H]1C 643516105 352987853 /nfs/dbraw/zinc/98/78/53/352987853.db2.gz DJLXJRHKMQOPLI-FOGDFJRCSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]CC2CNC2)CCC[C@H]1C 643516107 352987878 /nfs/dbraw/zinc/98/78/78/352987878.db2.gz DJLXJRHKMQOPLI-SCVCMEIPSA-N 1 3 196.338 1.620 10 0 ADAEHO CCC[C@H]([NH2+]CC1CNC1)C1CCC1 643516463 352988214 /nfs/dbraw/zinc/98/82/14/352988214.db2.gz DARIQNKWKQQJSJ-LBPRGKRZSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]([NH2+]CC1CNC1)[C@@H]1CC1(C)C 643516188 352988266 /nfs/dbraw/zinc/98/82/66/352988266.db2.gz YMBCEQGJWUUXLK-SCZZXKLOSA-N 1 3 182.311 1.230 10 0 ADAEHO CC[C@H]([NH2+]CC1CNC1)[C@H]1C[C@H]1C 643516429 352988306 /nfs/dbraw/zinc/98/83/06/352988306.db2.gz BSTLKLJXDSXOLI-MIMYLULJSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@H]([NH2+]CC1CNC1)[C@@H]1CC1(C)C 643516190 352988311 /nfs/dbraw/zinc/98/83/11/352988311.db2.gz YMBCEQGJWUUXLK-WPRPVWTQSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1CNC1 643516615 352988336 /nfs/dbraw/zinc/98/83/36/352988336.db2.gz ZNQSTCUYPHGJOU-GHMZBOCLSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H]([NH2+]CC1CNC1)[C@@H]1C[C@@H]1C 643516426 352988356 /nfs/dbraw/zinc/98/83/56/352988356.db2.gz BSTLKLJXDSXOLI-GDPRMGEGSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1CNC1 643516616 352988465 /nfs/dbraw/zinc/98/84/65/352988465.db2.gz ZNQSTCUYPHGJOU-MNOVXSKESA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H]([NH2+]CC1CNC1)C1CCC1 643516483 352988477 /nfs/dbraw/zinc/98/84/77/352988477.db2.gz FBYPUEUYMVAMNO-NSHDSACASA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]([NH2+]CC1CNC1)[C@H]1CC1(C)C 643516189 352988494 /nfs/dbraw/zinc/98/84/94/352988494.db2.gz YMBCEQGJWUUXLK-WCBMZHEXSA-N 1 3 182.311 1.230 10 0 ADAEHO CCC[C@@H]([NH2+]CC1CNC1)C1CCC1 643516461 352988541 /nfs/dbraw/zinc/98/85/41/352988541.db2.gz DARIQNKWKQQJSJ-GFCCVEGCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]([NH2+]CC1CNC1)[C@@H]1C[C@H]1C 643516427 352988596 /nfs/dbraw/zinc/98/85/96/352988596.db2.gz BSTLKLJXDSXOLI-IEBDPFPHSA-N 1 3 182.311 1.230 10 0 ADAEHO CC[C@@H]([NH2+]CC1CNC1)C1CCC1 643516482 352988622 /nfs/dbraw/zinc/98/86/22/352988622.db2.gz FBYPUEUYMVAMNO-LLVKDONJSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1CNC1 643516618 352988626 /nfs/dbraw/zinc/98/86/26/352988626.db2.gz ZNQSTCUYPHGJOU-WDEREUQCSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]([NH2+]CC1CNC1)[C@H]1CC1(C)C 643516187 352988653 /nfs/dbraw/zinc/98/86/53/352988653.db2.gz YMBCEQGJWUUXLK-PSASIEDQSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1CNC1 643516617 352988657 /nfs/dbraw/zinc/98/86/57/352988657.db2.gz ZNQSTCUYPHGJOU-QWRGUYRKSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)C1CC([NH2+]CC2CNC2)C1 643516167 352988662 /nfs/dbraw/zinc/98/86/62/352988662.db2.gz VMHBWSWSYNCUGQ-UHFFFAOYSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)C1CC(NCC2C[NH2+]C2)C1 643516167 352988663 /nfs/dbraw/zinc/98/86/63/352988663.db2.gz VMHBWSWSYNCUGQ-UHFFFAOYSA-N 1 3 182.311 1.230 10 0 ADAEHO CC[C@H]([NH2+]CC1CNC1)[C@H]1C[C@@H]1C 643516428 352988687 /nfs/dbraw/zinc/98/86/87/352988687.db2.gz BSTLKLJXDSXOLI-LSJOCFKGSA-N 1 3 182.311 1.230 10 0 ADAEHO CC(C)C1CC(NCC2([NH3+])CCC2)C1 643517992 352989250 /nfs/dbraw/zinc/98/92/50/352989250.db2.gz NCEDEVMCQFIQNK-UHFFFAOYSA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)C1CC(NC[C@@H]([NH3+])C2CC2)C1 643516825 352989337 /nfs/dbraw/zinc/98/93/37/352989337.db2.gz ZFBUZXFICHUVFJ-HTAVTVPLSA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)C1CC(NC[C@H]([NH3+])C2CC2)C1 643516826 352989513 /nfs/dbraw/zinc/98/95/13/352989513.db2.gz ZFBUZXFICHUVFJ-MCIGGMRASA-N 1 3 196.338 1.748 10 0 ADAEHO CC(C)C1CC(NC[C@H]2CC[NH2+]C2)C1 643519533 352989916 /nfs/dbraw/zinc/98/99/16/352989916.db2.gz XFNXJIGEQUYTRY-UNXYVOJBSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)C1CC(NC[C@@H]2CC[NH2+]C2)C1 643519534 352989872 /nfs/dbraw/zinc/98/98/72/352989872.db2.gz XFNXJIGEQUYTRY-VOMCLLRMSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H]1CC[C@@H]1NCC[C@H]1CCC[NH2+]1 643521361 352991456 /nfs/dbraw/zinc/99/14/56/352991456.db2.gz APWQNKYGJGMMKO-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1C[C@H]1C 643524363 352991482 /nfs/dbraw/zinc/99/14/82/352991482.db2.gz MJQBZEYGPFXVCL-IIRVCBMXSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1C[C@H]1C 643524365 352991520 /nfs/dbraw/zinc/99/15/20/352991520.db2.gz MJQBZEYGPFXVCL-ROHXPCBUSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C 643524559 352991552 /nfs/dbraw/zinc/99/15/52/352991552.db2.gz XRPTYJPPCWJUTJ-USZNOCQGSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@H]1CCNC[C@H]1C 643524539 352991560 /nfs/dbraw/zinc/99/15/60/352991560.db2.gz VSYCXDDWGHVIED-KQSJRHEJSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCCNCC1)[C@H]1C[C@H]1C 643522951 352991583 /nfs/dbraw/zinc/99/15/83/352991583.db2.gz NYIUDEKRNGARQM-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]1CC[C@H]1NCC[C@H]1CCC[NH2+]1 643521359 352991592 /nfs/dbraw/zinc/99/15/92/352991592.db2.gz APWQNKYGJGMMKO-QJPTWQEYSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C 643524558 352991617 /nfs/dbraw/zinc/99/16/17/352991617.db2.gz XRPTYJPPCWJUTJ-QCNOEVLYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1N[C@@H]1CCC[NH2+]C1 643523522 352991654 /nfs/dbraw/zinc/99/16/54/352991654.db2.gz GUCDPYAXKXIJNJ-LMLFDSFASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)[C@H]1C[C@H]1C 643524364 352991701 /nfs/dbraw/zinc/99/17/01/352991701.db2.gz MJQBZEYGPFXVCL-LVEVGFFFSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCCNCC1 643522949 352991805 /nfs/dbraw/zinc/99/18/05/352991805.db2.gz NYIUDEKRNGARQM-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)[C@@H]1C 643523521 352991816 /nfs/dbraw/zinc/99/18/16/352991816.db2.gz GUCDPYAXKXIJNJ-GWOFURMSSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCCNCC1 643522952 352991908 /nfs/dbraw/zinc/99/19/08/352991908.db2.gz NYIUDEKRNGARQM-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCNC[C@H]1C 643524538 352991920 /nfs/dbraw/zinc/99/19/20/352991920.db2.gz VSYCXDDWGHVIED-KNZXXDILSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H]1CC[C@@H]1NCC[C@H]1CCC[NH2+]1 643521360 352991948 /nfs/dbraw/zinc/99/19/48/352991948.db2.gz APWQNKYGJGMMKO-TUAOUCFPSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[C@H]1NCC[C@H]1CCC[NH2+]1 643521358 352991967 /nfs/dbraw/zinc/99/19/67/352991967.db2.gz APWQNKYGJGMMKO-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C 643524557 352991991 /nfs/dbraw/zinc/99/19/91/352991991.db2.gz XRPTYJPPCWJUTJ-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](C)[C@H]1C[C@H]1C 643524537 352991996 /nfs/dbraw/zinc/99/19/96/352991996.db2.gz VSYCXDDWGHVIED-JCIQBVFBSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1C[C@H]1C 643522950 352992014 /nfs/dbraw/zinc/99/20/14/352992014.db2.gz NYIUDEKRNGARQM-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)[C@H]1C[C@H]1C 643524362 352992094 /nfs/dbraw/zinc/99/20/94/352992094.db2.gz MJQBZEYGPFXVCL-DGORSVRFSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C 643524560 352992098 /nfs/dbraw/zinc/99/20/98/352992098.db2.gz XRPTYJPPCWJUTJ-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C 643524540 352992107 /nfs/dbraw/zinc/99/21/07/352992107.db2.gz VSYCXDDWGHVIED-OOCWMUITSA-N 1 3 196.338 1.619 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 643525951 352992389 /nfs/dbraw/zinc/99/23/89/352992389.db2.gz JSYZJRAADVIYAB-RMPHRYRLSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)CCN1 643526087 352992395 /nfs/dbraw/zinc/99/23/95/352992395.db2.gz OWHYFFSHALECHF-OOCWMUITSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)[C@@H]1C 643525953 352992592 /nfs/dbraw/zinc/99/25/92/352992592.db2.gz JSYZJRAADVIYAB-VSSNEEPJSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 643526085 352993037 /nfs/dbraw/zinc/99/30/37/352993037.db2.gz OWHYFFSHALECHF-KQSJRHEJSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@H]1C[C@H]1[C@@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 643526088 352993087 /nfs/dbraw/zinc/99/30/87/352993087.db2.gz OWHYFFSHALECHF-VSSNEEPJSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CCN1 643525950 352993197 /nfs/dbraw/zinc/99/31/97/352993197.db2.gz JSYZJRAADVIYAB-LZQZFOIKSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)CCN1 643526086 352993273 /nfs/dbraw/zinc/99/32/73/352993273.db2.gz OWHYFFSHALECHF-LZQZFOIKSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)[C@H]1C 643525952 352993301 /nfs/dbraw/zinc/99/33/01/352993301.db2.gz JSYZJRAADVIYAB-RNWYCLNJSA-N 1 3 196.338 1.761 10 0 ADAEHO CC(C)C1CC(NC[C@H](C)[NH3+])C1 643527465 352994562 /nfs/dbraw/zinc/99/45/62/352994562.db2.gz NHNIAPWBCGJVIQ-IDKOKCKLSA-N 1 3 170.300 1.358 10 0 ADAEHO CC(C)C1CC(NC[C@@H](C)[NH3+])C1 643527466 352994632 /nfs/dbraw/zinc/99/46/32/352994632.db2.gz NHNIAPWBCGJVIQ-XNWIYYODSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@H](C)[C@@H]1C[C@@H]1C 643529747 352996371 /nfs/dbraw/zinc/99/63/71/352996371.db2.gz AULIIGMMLAXNSO-LNFKQOIKSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@H](C)[C@H]1C[C@H]1C 643529745 352996424 /nfs/dbraw/zinc/99/64/24/352996424.db2.gz AULIIGMMLAXNSO-DBIOUOCHSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@H](C)[C@H]1C[C@@H]1C 643529748 352996592 /nfs/dbraw/zinc/99/65/92/352996592.db2.gz AULIIGMMLAXNSO-ZDCRXTMVSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@H](C)[C@@H]1C[C@H]1C 643529746 352996709 /nfs/dbraw/zinc/99/67/09/352996709.db2.gz AULIIGMMLAXNSO-GWOFURMSSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[C@H]1C 643529974 352997432 /nfs/dbraw/zinc/99/74/32/352997432.db2.gz SPHPKXGMABPFDR-LNFKQOIKSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[C@H]1C 643529973 352997439 /nfs/dbraw/zinc/99/74/39/352997439.db2.gz SPHPKXGMABPFDR-GWOFURMSSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[C@@H]1C 643529972 352997500 /nfs/dbraw/zinc/99/75/00/352997500.db2.gz SPHPKXGMABPFDR-CHWFTXMASA-N 1 3 184.327 1.619 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[C@@H]1C 643529975 352997682 /nfs/dbraw/zinc/99/76/82/352997682.db2.gz SPHPKXGMABPFDR-ZRUFSTJUSA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1C1CCC1 643530669 352998332 /nfs/dbraw/zinc/99/83/32/352998332.db2.gz GYVHLHXUOHBWJM-YUSALJHKSA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CC[C@H]1C1CCC1 643530668 352998340 /nfs/dbraw/zinc/99/83/40/352998340.db2.gz GYVHLHXUOHBWJM-USWWRNFRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+][C@@H](C)CNC1CCC2(CC1)CC2 643530648 352998381 /nfs/dbraw/zinc/99/83/81/352998381.db2.gz FXVSXFAETCOLDL-JTQLQIEISA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CC[C@H]1C1CCC1 643530666 352998406 /nfs/dbraw/zinc/99/84/06/352998406.db2.gz GYVHLHXUOHBWJM-ADEWGFFLSA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+][C@H](C)CNC1CCC2(CC1)CC2 643530649 352998515 /nfs/dbraw/zinc/99/85/15/352998515.db2.gz FXVSXFAETCOLDL-SNVBAGLBSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CC[C@@H]1C1CCC1 643530667 352998783 /nfs/dbraw/zinc/99/87/83/352998783.db2.gz GYVHLHXUOHBWJM-JLLWLGSASA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1CCC12CCCC2 643530771 352999199 /nfs/dbraw/zinc/99/91/99/352999199.db2.gz QTTAZJHRYHQODG-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H]1CCC12CCCC2 643530773 352999451 /nfs/dbraw/zinc/99/94/51/352999451.db2.gz QTTAZJHRYHQODG-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@@H]1CCC12CCCC2 643530774 352999488 /nfs/dbraw/zinc/99/94/88/352999488.db2.gz QTTAZJHRYHQODG-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H]1CCC12CCCC2 643530772 352999619 /nfs/dbraw/zinc/99/96/19/352999619.db2.gz QTTAZJHRYHQODG-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC1(C)C 643539139 353000780 /nfs/dbraw/zinc/00/07/80/353000780.db2.gz ZAZDKKINQIHDEV-UVOCVTCTSA-N 1 3 194.322 1.228 10 0 ADAEHO C[C@@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC1(C)C 643539138 353000803 /nfs/dbraw/zinc/00/08/03/353000803.db2.gz ZAZDKKINQIHDEV-NZFPMDFQSA-N 1 3 194.322 1.228 10 0 ADAEHO CC[C@@H]([NH3+])CNC1CC(C(C)C)C1 643540422 353002166 /nfs/dbraw/zinc/00/21/66/353002166.db2.gz FHAYBTGRDJDYQK-HSOILSAZSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@H]([NH3+])CNC1CC(C(C)C)C1 643540423 353002312 /nfs/dbraw/zinc/00/23/12/353002312.db2.gz FHAYBTGRDJDYQK-YVNMAJEFSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@@H]1CC[C@@H]1N[C@@H]1CCCC[NH2+]C1 643545369 353003856 /nfs/dbraw/zinc/00/38/56/353003856.db2.gz GMSFXXCOCMBTPD-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1C[C@H]1C 643545430 353003878 /nfs/dbraw/zinc/00/38/78/353003878.db2.gz SALVGAVKNFYUQY-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N[C@H]1CCCC[NH2+]C1 643545431 353003881 /nfs/dbraw/zinc/00/38/81/353003881.db2.gz SALVGAVKNFYUQY-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1[C@@H](N[C@H]2CCCC[NH2+]C2)C[C@H]1C 643545464 353003889 /nfs/dbraw/zinc/00/38/89/353003889.db2.gz ZFDAIYJMDXIAJH-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]CCCNC1CC1)[C@H]1C[C@H]1C 643545133 353003891 /nfs/dbraw/zinc/00/38/91/353003891.db2.gz BODKIAZZOBUTMS-SCVCMEIPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]CCCNC1CC1)[C@@H]1C[C@H]1C 643545132 353003893 /nfs/dbraw/zinc/00/38/93/353003893.db2.gz BODKIAZZOBUTMS-JFGNBEQYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]1CC[C@@H]1N[C@H]1CCCC[NH2+]C1 643545370 353003898 /nfs/dbraw/zinc/00/38/98/353003898.db2.gz GMSFXXCOCMBTPD-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1C[C@H]1C 643545429 353003902 /nfs/dbraw/zinc/00/39/02/353003902.db2.gz SALVGAVKNFYUQY-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CC1 643545314 353003907 /nfs/dbraw/zinc/00/39/07/353003907.db2.gz YGAGQPKXNXJJQM-VXGBXAGGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCNC1CC1 643545130 353003924 /nfs/dbraw/zinc/00/39/24/353003924.db2.gz BODKIAZZOBUTMS-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]1CC[C@H]1N[C@H]1CCCC[NH2+]C1 643545367 353003929 /nfs/dbraw/zinc/00/39/29/353003929.db2.gz GMSFXXCOCMBTPD-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1[C@@H](N[C@@H]2CCCC[NH2+]C2)C[C@H]1C 643545463 353003940 /nfs/dbraw/zinc/00/39/40/353003940.db2.gz ZFDAIYJMDXIAJH-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)C1CC1 643545311 353003959 /nfs/dbraw/zinc/00/39/59/353003959.db2.gz YGAGQPKXNXJJQM-NEPJUHHUSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[C@H]1N[C@@H]1CCCC[NH2+]C1 643545368 353003977 /nfs/dbraw/zinc/00/39/77/353003977.db2.gz GMSFXXCOCMBTPD-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H](N[C@H]1CCCC[NH2+]C1)C1CC1 643545312 353003981 /nfs/dbraw/zinc/00/39/81/353003981.db2.gz YGAGQPKXNXJJQM-NWDGAFQWSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H](N[C@H]1CCCC[NH2+]C1)C1CC1 643545313 353003993 /nfs/dbraw/zinc/00/39/93/353003993.db2.gz YGAGQPKXNXJJQM-RYUDHWBXSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)[C@@H]1C 643545465 353004024 /nfs/dbraw/zinc/00/40/24/353004024.db2.gz ZFDAIYJMDXIAJH-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCNC1CC1 643545131 353004048 /nfs/dbraw/zinc/00/40/48/353004048.db2.gz BODKIAZZOBUTMS-FOGDFJRCSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)N[C@@H]1CCCC[NH2+]C1 643545428 353004190 /nfs/dbraw/zinc/00/41/90/353004190.db2.gz SALVGAVKNFYUQY-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)[C@@H]1C 643545462 353004159 /nfs/dbraw/zinc/00/41/59/353004159.db2.gz ZFDAIYJMDXIAJH-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[N@H+](CC1CNC1)C1CCCCC1 164962857 371675394 /nfs/dbraw/zinc/67/53/94/371675394.db2.gz BIEWXYWDNQPNHI-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@@H+](CC1CNC1)C1CCCCC1 164962857 371675402 /nfs/dbraw/zinc/67/54/02/371675402.db2.gz BIEWXYWDNQPNHI-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CN(CC1C[NH2+]C1)C1CCCCC1 164962857 371675406 /nfs/dbraw/zinc/67/54/06/371675406.db2.gz BIEWXYWDNQPNHI-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO CCC1CCN(CC2C[NH2+]C2)CC1 165076025 371676887 /nfs/dbraw/zinc/67/68/87/371676887.db2.gz XZDFYSNCBKKHCP-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CCC1CC[NH+](CC2CNC2)CC1 165076025 371676891 /nfs/dbraw/zinc/67/68/91/371676891.db2.gz XZDFYSNCBKKHCP-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO CCC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238220383 371725648 /nfs/dbraw/zinc/72/56/48/371725648.db2.gz KQOCDDJJHIAYSU-OWUUHHOZSA-N 1 3 168.284 1.351 10 0 ADAEHO CCC[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238220383 371725653 /nfs/dbraw/zinc/72/56/53/371725653.db2.gz KQOCDDJJHIAYSU-OWUUHHOZSA-N 1 3 168.284 1.351 10 0 ADAEHO CCC[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238220410 371725694 /nfs/dbraw/zinc/72/56/94/371725694.db2.gz KQOCDDJJHIAYSU-ILWJIGKKSA-N 1 3 168.284 1.351 10 0 ADAEHO CCC[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238220410 371725698 /nfs/dbraw/zinc/72/56/98/371725698.db2.gz KQOCDDJJHIAYSU-ILWJIGKKSA-N 1 3 168.284 1.351 10 0 ADAEHO C1CC([NH2+][C@@H]2CCN3CC[C@H]2C3)C1 252972649 371736761 /nfs/dbraw/zinc/73/67/61/371736761.db2.gz RTLYUGCSPFDBIF-GXSJLCMTSA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306755810 371764737 /nfs/dbraw/zinc/76/47/37/371764737.db2.gz QVEOKEPWTNZFEB-SDDRHHMPSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@@H](CN)C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306755810 371764739 /nfs/dbraw/zinc/76/47/39/371764739.db2.gz QVEOKEPWTNZFEB-SDDRHHMPSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306755811 371764801 /nfs/dbraw/zinc/76/48/01/371764801.db2.gz QVEOKEPWTNZFEB-UTUOFQBUSA-N 1 3 194.322 1.479 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306755811 371764814 /nfs/dbraw/zinc/76/48/14/371764814.db2.gz QVEOKEPWTNZFEB-UTUOFQBUSA-N 1 3 194.322 1.479 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 307140908 371774199 /nfs/dbraw/zinc/77/41/99/371774199.db2.gz BGGVCVDSXFYWMJ-NZHYYXIDSA-N 1 3 180.295 1.254 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 307140910 371774211 /nfs/dbraw/zinc/77/42/11/371774211.db2.gz BGGVCVDSXFYWMJ-RCZSTQMZSA-N 1 3 180.295 1.254 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@H]1CCNC[C@H]1C 307189570 371775148 /nfs/dbraw/zinc/77/51/48/371775148.db2.gz UTELXXRYMCLCQV-SCVCMEIPSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@H]1CCNC[C@H]1C 307189570 371775156 /nfs/dbraw/zinc/77/51/56/371775156.db2.gz UTELXXRYMCLCQV-SCVCMEIPSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)[C@H](C)C1CC1 307189567 371775180 /nfs/dbraw/zinc/77/51/80/371775180.db2.gz UTELXXRYMCLCQV-CKYFFXLPSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)[C@H](C)C1CC1 307189567 371775187 /nfs/dbraw/zinc/77/51/87/371775187.db2.gz UTELXXRYMCLCQV-CKYFFXLPSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@@H]1CCNC[C@H]1C 307189569 371775397 /nfs/dbraw/zinc/77/53/97/371775397.db2.gz UTELXXRYMCLCQV-JFGNBEQYSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCNC[C@H]1C 307189569 371775404 /nfs/dbraw/zinc/77/54/04/371775404.db2.gz UTELXXRYMCLCQV-JFGNBEQYSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)[C@H](C)C1CC1 307189568 371775420 /nfs/dbraw/zinc/77/54/20/371775420.db2.gz UTELXXRYMCLCQV-FOGDFJRCSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)[C@H](C)C1CC1 307189568 371775427 /nfs/dbraw/zinc/77/54/27/371775427.db2.gz UTELXXRYMCLCQV-FOGDFJRCSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 307385087 371780291 /nfs/dbraw/zinc/78/02/91/371780291.db2.gz HPKQDYDAQRLBOK-WYUUTHIRSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CC[C@H](N[C@H]2CC[C@@H](C)C2)C[NH2+]1 307385084 371780404 /nfs/dbraw/zinc/78/04/04/371780404.db2.gz HPKQDYDAQRLBOK-RHYQMDGZSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 307385085 371780439 /nfs/dbraw/zinc/78/04/39/371780439.db2.gz HPKQDYDAQRLBOK-WISYIIOYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H]1CC[C@@H](N[C@H]2CC[C@@H](C)C2)C[NH2+]1 307385083 371780483 /nfs/dbraw/zinc/78/04/83/371780483.db2.gz HPKQDYDAQRLBOK-NOOOWODRSA-N 1 3 196.338 1.905 10 0 ADAEHO CC1(C)CN(C[C@@H]2CCC[C@@H]2[NH3+])C1 307522046 371782059 /nfs/dbraw/zinc/78/20/59/371782059.db2.gz BNXXHXGVRIQFNI-UWVGGRQHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CN(C[C@@H]2CCC[C@H]2[NH3+])C1 307522048 371782113 /nfs/dbraw/zinc/78/21/13/371782113.db2.gz BNXXHXGVRIQFNI-VHSXEESVSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CN(C[C@H]2CCC[C@@H]2[NH3+])C1 307522049 371782384 /nfs/dbraw/zinc/78/23/84/371782384.db2.gz BNXXHXGVRIQFNI-ZJUUUORDSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1(C)CN(C[C@H]2CCC[C@H]2[NH3+])C1 307522045 371782407 /nfs/dbraw/zinc/78/24/07/371782407.db2.gz BNXXHXGVRIQFNI-NXEZZACHSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)[C@H](C)NC[C@@H](C)[NH2+]C 318983030 371785184 /nfs/dbraw/zinc/78/51/84/371785184.db2.gz IXXLLQXNJBMQBF-AEJSXWLSSA-N 1 3 172.316 1.619 10 0 ADAEHO CC[C@H](C)[C@H](C)NC[C@H](C)[NH2+]C 318983031 371785242 /nfs/dbraw/zinc/78/52/42/371785242.db2.gz IXXLLQXNJBMQBF-GUBZILKMSA-N 1 3 172.316 1.619 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@H](C)C[C@H](C)N 318995745 371785396 /nfs/dbraw/zinc/78/53/96/371785396.db2.gz LOQSIFCWBRGQPK-IVZWLZJFSA-N 1 3 172.316 1.746 10 0 ADAEHO CC[C@H](C)[C@@H](C)NC[C@@H](C)[NH2+]C 318983032 371785468 /nfs/dbraw/zinc/78/54/68/371785468.db2.gz IXXLLQXNJBMQBF-IVZWLZJFSA-N 1 3 172.316 1.619 10 0 ADAEHO CC(C)[C@@H](C)[NH2+][C@@H](C)C[C@H](C)N 318995746 371785485 /nfs/dbraw/zinc/78/54/85/371785485.db2.gz LOQSIFCWBRGQPK-LPEHRKFASA-N 1 3 172.316 1.746 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H](C)C[C@H](C)N 318995743 371785577 /nfs/dbraw/zinc/78/55/77/371785577.db2.gz LOQSIFCWBRGQPK-AEJSXWLSSA-N 1 3 172.316 1.746 10 0 ADAEHO CC[C@H](C)[C@@H](C)NC[C@H](C)[NH2+]C 318983033 371785612 /nfs/dbraw/zinc/78/56/12/371785612.db2.gz IXXLLQXNJBMQBF-LPEHRKFASA-N 1 3 172.316 1.619 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)N 319012535 371785633 /nfs/dbraw/zinc/78/56/33/371785633.db2.gz POKTWZHALLPYPF-AEJSXWLSSA-N 1 3 172.316 1.748 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H](C)C[C@H](C)N 318995744 371785673 /nfs/dbraw/zinc/78/56/73/371785673.db2.gz LOQSIFCWBRGQPK-GUBZILKMSA-N 1 3 172.316 1.746 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)N 319012537 371785728 /nfs/dbraw/zinc/78/57/28/371785728.db2.gz POKTWZHALLPYPF-IVZWLZJFSA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 319493897 371786948 /nfs/dbraw/zinc/78/69/48/371786948.db2.gz ZVGHQMJQPUSXOY-XWLWVQCSSA-N 1 3 184.327 1.761 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@@H](C)C(C)C 319559309 371788718 /nfs/dbraw/zinc/78/87/18/371788718.db2.gz PNQPIPAMMQJYFB-IUCAKERBSA-N 1 3 158.289 1.228 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H](C)C(C)C 319559307 371788690 /nfs/dbraw/zinc/78/86/90/371788690.db2.gz PNQPIPAMMQJYFB-BDAKNGLRSA-N 1 3 158.289 1.228 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H](C)C(C)C 319559308 371789071 /nfs/dbraw/zinc/78/90/71/371789071.db2.gz PNQPIPAMMQJYFB-DTWKUNHWSA-N 1 3 158.289 1.228 10 0 ADAEHO CC(C)[C@H](C)[NH2+]CC[C@@H](C)N 319563682 371789139 /nfs/dbraw/zinc/78/91/39/371789139.db2.gz QDKZFXPMMWDHLE-BDAKNGLRSA-N 1 3 158.289 1.358 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H](C)C(C)C 319559310 371789731 /nfs/dbraw/zinc/78/97/31/371789731.db2.gz PNQPIPAMMQJYFB-RKDXNWHRSA-N 1 3 158.289 1.228 10 0 ADAEHO CC(C)[C@@H](C)[NH2+]CC[C@@H](C)N 319563690 371789770 /nfs/dbraw/zinc/78/97/70/371789770.db2.gz QDKZFXPMMWDHLE-RKDXNWHRSA-N 1 3 158.289 1.358 10 0 ADAEHO CC[C@H]([NH2+]CCCN)[C@H]1C[C@@H]1C 321923990 371790653 /nfs/dbraw/zinc/79/06/53/371790653.db2.gz RKZPKJIDPJSOHD-GUBZILKMSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H]([NH2+]CCCN)[C@@H]1C[C@@H]1C 321923988 371790801 /nfs/dbraw/zinc/79/08/01/371790801.db2.gz RKZPKJIDPJSOHD-AEJSXWLSSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H]([NH2+]CCCN)[C@H]1C[C@H]1C 321923991 371790960 /nfs/dbraw/zinc/79/09/60/371790960.db2.gz RKZPKJIDPJSOHD-UTLUCORTSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H]([NH2+]CCCN)[C@@H]1C[C@H]1C 321923989 371791285 /nfs/dbraw/zinc/79/12/85/371791285.db2.gz RKZPKJIDPJSOHD-BBBLOLIVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H]([NH2+]CCCN)C1CCC1 322255311 371792999 /nfs/dbraw/zinc/79/29/99/371792999.db2.gz FIUXPCAJKLNQJU-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@@H]([NH2+]CCCN)C1CCC1 322255313 371792210 /nfs/dbraw/zinc/79/22/10/371792210.db2.gz FIUXPCAJKLNQJU-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO CCC[C@H]([NH2+]CCCN)C1CCC1 322829342 371792501 /nfs/dbraw/zinc/79/25/01/371792501.db2.gz INEDIXVTHFFGIQ-NSHDSACASA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 323705283 371794337 /nfs/dbraw/zinc/79/43/37/371794337.db2.gz JPPSVOVVDCFJDY-GRYCIOLGSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]([NH2+]CCCN)C1CCC1 322829341 371792905 /nfs/dbraw/zinc/79/29/05/371792905.db2.gz INEDIXVTHFFGIQ-LLVKDONJSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CC1 323705284 371794224 /nfs/dbraw/zinc/79/42/24/371794224.db2.gz JPPSVOVVDCFJDY-SDDRHHMPSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CC1 323741725 371794252 /nfs/dbraw/zinc/79/42/52/371794252.db2.gz QHQWYWRKWVVCOC-USWWRNFRSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C1CC1 323741724 371794443 /nfs/dbraw/zinc/79/44/43/371794443.db2.gz QHQWYWRKWVVCOC-DLOVCJGASA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H]([NH2+]CCCN)C1CC1 324100271 371794493 /nfs/dbraw/zinc/79/44/93/371794493.db2.gz IYBQANVJKAZBTJ-JTQLQIEISA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CC1 323705937 371794613 /nfs/dbraw/zinc/79/46/13/371794613.db2.gz JPPSVOVVDCFJDY-SRVKXCTJSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CC1 323705938 371794740 /nfs/dbraw/zinc/79/47/40/371794740.db2.gz JPPSVOVVDCFJDY-WOPDTQHZSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C1CC1 323741726 371794863 /nfs/dbraw/zinc/79/48/63/371794863.db2.gz QHQWYWRKWVVCOC-ZMLRMANQSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]([NH2+]CCCN)C1CC1 324100272 371794948 /nfs/dbraw/zinc/79/49/48/371794948.db2.gz IYBQANVJKAZBTJ-SNVBAGLBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CC1 323741723 371794996 /nfs/dbraw/zinc/79/49/96/371794996.db2.gz QHQWYWRKWVVCOC-ADEWGFFLSA-N 1 3 196.338 1.763 10 0 ADAEHO C1CCC([NH2+][C@@H]2CCNC23CCC3)C1 527531267 371817315 /nfs/dbraw/zinc/81/73/15/371817315.db2.gz BWUBRPSUGYOXDB-LLVKDONJSA-N 1 3 194.322 1.803 10 0 ADAEHO C1CCC([NH2+][C@H]2CCNC23CCC3)C1 527531268 371817368 /nfs/dbraw/zinc/81/73/68/371817368.db2.gz BWUBRPSUGYOXDB-NSHDSACASA-N 1 3 194.322 1.803 10 0 ADAEHO NC1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 575488960 371824744 /nfs/dbraw/zinc/82/47/44/371824744.db2.gz UNNGBNJIRDRLIM-CCNJGILJSA-N 1 3 180.295 1.254 10 0 ADAEHO [NH3+]C1CC(CN2CCC[C@H](F)C2)C1 575496849 371826127 /nfs/dbraw/zinc/82/61/27/371826127.db2.gz AVBWJXJDNSPYGM-KYHHOPLUSA-N 1 3 186.274 1.158 10 0 ADAEHO [NH3+]C1CC(CN2CCC[C@@H](F)C2)C1 575496848 371826286 /nfs/dbraw/zinc/82/62/86/371826286.db2.gz AVBWJXJDNSPYGM-HWOCKDDLSA-N 1 3 186.274 1.158 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CC2 644166471 371877678 /nfs/dbraw/zinc/87/76/78/371877678.db2.gz MAVOKFTYUKMRJK-GUBZILKMSA-N 1 3 180.295 1.256 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC12CC2 644166471 371877683 /nfs/dbraw/zinc/87/76/83/371877683.db2.gz MAVOKFTYUKMRJK-GUBZILKMSA-N 1 3 180.295 1.256 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CC12CC2 644166505 371877703 /nfs/dbraw/zinc/87/77/03/371877703.db2.gz RXWXWZFFURHVBG-HLTSFMKQSA-N 1 3 166.268 1.008 10 0 ADAEHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC12CC2 644166499 371877907 /nfs/dbraw/zinc/87/79/07/371877907.db2.gz PKDFCYUQQIQTFH-VWYCJHECSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC12CC2 644166499 371877919 /nfs/dbraw/zinc/87/79/19/371877919.db2.gz PKDFCYUQQIQTFH-VWYCJHECSA-N 1 3 194.322 1.517 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CC2 644166470 371877957 /nfs/dbraw/zinc/87/79/57/371877957.db2.gz MAVOKFTYUKMRJK-AEJSXWLSSA-N 1 3 180.295 1.256 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC12CC2 644166470 371877963 /nfs/dbraw/zinc/87/79/63/371877963.db2.gz MAVOKFTYUKMRJK-AEJSXWLSSA-N 1 3 180.295 1.256 10 0 ADAEHO C[C@H](N[C@@H]1CC12CC2)[C@H]1CC[NH2+]C1 644166421 371877976 /nfs/dbraw/zinc/87/79/76/371877976.db2.gz ABUHVBYXXDLLAM-LPEHRKFASA-N 1 3 180.295 1.127 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 644165919 371877991 /nfs/dbraw/zinc/87/79/91/371877991.db2.gz AXJACASHKVYPSE-HWUMTFDVSA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC12CC2 644166452 371878011 /nfs/dbraw/zinc/87/80/11/371878011.db2.gz GVKTXEWRXPLRQW-XHNCKOQMSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC12CC2 644166452 371878016 /nfs/dbraw/zinc/87/80/16/371878016.db2.gz GVKTXEWRXPLRQW-XHNCKOQMSA-N 1 3 168.284 1.254 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC12CC2 644166507 371878077 /nfs/dbraw/zinc/87/80/77/371878077.db2.gz RXWXWZFFURHVBG-IWSPIJDZSA-N 1 3 166.268 1.008 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CC12CC2 644166508 371878112 /nfs/dbraw/zinc/87/81/12/371878112.db2.gz RXWXWZFFURHVBG-VGMNWLOBSA-N 1 3 166.268 1.008 10 0 ADAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CC2 644166448 371878168 /nfs/dbraw/zinc/87/81/68/371878168.db2.gz FJHCYNZJXIETFH-HBNTYKKESA-N 1 3 194.322 1.646 10 0 ADAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CC2 644166447 371878184 /nfs/dbraw/zinc/87/81/84/371878184.db2.gz FJHCYNZJXIETFH-GARJFASQSA-N 1 3 194.322 1.646 10 0 ADAEHO C[C@H](N[C@H]1CC12CC2)[C@@H]1CCC[NH2+]C1 644166454 371878220 /nfs/dbraw/zinc/87/82/20/371878220.db2.gz IMMHQTDXFSFWIH-AXFHLTTASA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC12CC2)[C@@H]1CCCNC1 644166454 371878229 /nfs/dbraw/zinc/87/82/29/371878229.db2.gz IMMHQTDXFSFWIH-AXFHLTTASA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H](N[C@H]1CC12CC2)[C@@H]1CC[NH2+]C1 644166418 371878248 /nfs/dbraw/zinc/87/82/48/371878248.db2.gz ABUHVBYXXDLLAM-AEJSXWLSSA-N 1 3 180.295 1.127 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CC2 644166472 371878314 /nfs/dbraw/zinc/87/83/14/371878314.db2.gz MAVOKFTYUKMRJK-IVZWLZJFSA-N 1 3 180.295 1.256 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC12CC2 644166472 371878327 /nfs/dbraw/zinc/87/83/27/371878327.db2.gz MAVOKFTYUKMRJK-IVZWLZJFSA-N 1 3 180.295 1.256 10 0 ADAEHO C1CC([C@@H]2C[C@H]2C[NH2+][C@@H]2CCNC2)C1 644166428 371878394 /nfs/dbraw/zinc/87/83/94/371878394.db2.gz CTPBBZOCOOWUDP-TUAOUCFPSA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N[C@H]1CC12CC2 644166453 371878447 /nfs/dbraw/zinc/87/84/47/371878447.db2.gz GVKTXEWRXPLRQW-YIZRAAEISA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+][C@H]1CC12CC2 644166453 371878452 /nfs/dbraw/zinc/87/84/52/371878452.db2.gz GVKTXEWRXPLRQW-YIZRAAEISA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H](N[C@@H]1CC12CC2)[C@@H]1CCC[NH2+]C1 644166457 371878473 /nfs/dbraw/zinc/87/84/73/371878473.db2.gz IMMHQTDXFSFWIH-HBNTYKKESA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC12CC2)[C@@H]1CCCNC1 644166457 371878483 /nfs/dbraw/zinc/87/84/83/371878483.db2.gz IMMHQTDXFSFWIH-HBNTYKKESA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 644165920 371878521 /nfs/dbraw/zinc/87/85/21/371878521.db2.gz AXJACASHKVYPSE-MFDAYCCISA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@H](N[C@@H]1CC12CC2)[C@H]1CCC[NH2+]C1 644166456 371878553 /nfs/dbraw/zinc/87/85/53/371878553.db2.gz IMMHQTDXFSFWIH-GARJFASQSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC12CC2)[C@H]1CCCNC1 644166456 371878565 /nfs/dbraw/zinc/87/85/65/371878565.db2.gz IMMHQTDXFSFWIH-GARJFASQSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CC12CC2 644166451 371878881 /nfs/dbraw/zinc/87/88/81/371878881.db2.gz GVKTXEWRXPLRQW-DJLDLDEBSA-N 1 3 168.284 1.254 10 0 ADAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC12CC2 644166445 371878589 /nfs/dbraw/zinc/87/85/89/371878589.db2.gz FJHCYNZJXIETFH-AXFHLTTASA-N 1 3 194.322 1.646 10 0 ADAEHO C[C@H](N[C@H]1CC12CC2)[C@H]1CCC[NH2+]C1 644166455 371878721 /nfs/dbraw/zinc/87/87/21/371878721.db2.gz IMMHQTDXFSFWIH-DCAQKATOSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC12CC2)[C@H]1CCCNC1 644166455 371878725 /nfs/dbraw/zinc/87/87/25/371878725.db2.gz IMMHQTDXFSFWIH-DCAQKATOSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC12CC2 644166497 371878788 /nfs/dbraw/zinc/87/87/88/371878788.db2.gz PKDFCYUQQIQTFH-MXWKQRLJSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC12CC2 644166497 371878793 /nfs/dbraw/zinc/87/87/93/371878793.db2.gz PKDFCYUQQIQTFH-MXWKQRLJSA-N 1 3 194.322 1.517 10 0 ADAEHO C1CC([C@@H]2C[C@H]2C[NH2+][C@H]2CCNC2)C1 644166427 371878835 /nfs/dbraw/zinc/87/88/35/371878835.db2.gz CTPBBZOCOOWUDP-SRVKXCTJSA-N 1 3 194.322 1.374 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH2+][C@@H]1CC12CC2 644166451 371878889 /nfs/dbraw/zinc/87/88/89/371878889.db2.gz GVKTXEWRXPLRQW-DJLDLDEBSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC12CC2 644166450 371878901 /nfs/dbraw/zinc/87/89/01/371878901.db2.gz GVKTXEWRXPLRQW-CIUDSAMLSA-N 1 3 168.284 1.254 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC12CC2 644166450 371878907 /nfs/dbraw/zinc/87/89/07/371878907.db2.gz GVKTXEWRXPLRQW-CIUDSAMLSA-N 1 3 168.284 1.254 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC2 644166473 371878977 /nfs/dbraw/zinc/87/89/77/371878977.db2.gz MAVOKFTYUKMRJK-LPEHRKFASA-N 1 3 180.295 1.256 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC12CC2 644166473 371878984 /nfs/dbraw/zinc/87/89/84/371878984.db2.gz MAVOKFTYUKMRJK-LPEHRKFASA-N 1 3 180.295 1.256 10 0 ADAEHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC12CC2 644166496 371878998 /nfs/dbraw/zinc/87/89/98/371878998.db2.gz PKDFCYUQQIQTFH-GMTAPVOTSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CC12CC2 644166496 371879004 /nfs/dbraw/zinc/87/90/04/371879004.db2.gz PKDFCYUQQIQTFH-GMTAPVOTSA-N 1 3 194.322 1.517 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC12CC2 644166506 371879040 /nfs/dbraw/zinc/87/90/40/371879040.db2.gz RXWXWZFFURHVBG-HRDYMLBCSA-N 1 3 166.268 1.008 10 0 ADAEHO C[C@H](N[C@H]1CC12CC2)[C@H]1CC[NH2+]C1 644166419 371879175 /nfs/dbraw/zinc/87/91/75/371879175.db2.gz ABUHVBYXXDLLAM-GUBZILKMSA-N 1 3 180.295 1.127 10 0 ADAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CC2 644166446 371879228 /nfs/dbraw/zinc/87/92/28/371879228.db2.gz FJHCYNZJXIETFH-DCAQKATOSA-N 1 3 194.322 1.646 10 0 ADAEHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC12CC2 644166498 371879243 /nfs/dbraw/zinc/87/92/43/371879243.db2.gz PKDFCYUQQIQTFH-OUAUKWLOSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC12CC2 644166498 371879250 /nfs/dbraw/zinc/87/92/50/371879250.db2.gz PKDFCYUQQIQTFH-OUAUKWLOSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H](N[C@@H]1CC12CC2)[C@@H]1CC[NH2+]C1 644166420 371879278 /nfs/dbraw/zinc/87/92/78/371879278.db2.gz ABUHVBYXXDLLAM-IVZWLZJFSA-N 1 3 180.295 1.127 10 0 ADAEHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC12CC2 644166529 371880383 /nfs/dbraw/zinc/88/03/83/371880383.db2.gz XMBGZYQTBYIELQ-GMTAPVOTSA-N 1 3 194.322 1.789 10 0 ADAEHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC12CC2 644166531 371880871 /nfs/dbraw/zinc/88/08/71/371880871.db2.gz XMBGZYQTBYIELQ-OUAUKWLOSA-N 1 3 194.322 1.789 10 0 ADAEHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC12CC2 644166530 371880922 /nfs/dbraw/zinc/88/09/22/371880922.db2.gz XMBGZYQTBYIELQ-MXWKQRLJSA-N 1 3 194.322 1.789 10 0 ADAEHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC12CC2 644166532 371881081 /nfs/dbraw/zinc/88/10/81/371881081.db2.gz XMBGZYQTBYIELQ-VWYCJHECSA-N 1 3 194.322 1.789 10 0 ADAEHO CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 62910709 375312571 /nfs/dbraw/zinc/31/25/71/375312571.db2.gz GWXUOXMIYITMRM-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)N(C)C[C@]1(C)CC[NH2+]C1 62910895 375312686 /nfs/dbraw/zinc/31/26/86/375312686.db2.gz MHMZBUSRJXXBAQ-SNVBAGLBSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@]1(CN2CCCC2)CC[NH2+]C1 62910714 375312744 /nfs/dbraw/zinc/31/27/44/375312744.db2.gz YIPTULFDMAGOJO-JTQLQIEISA-N 1 3 168.284 1.082 10 0 ADAEHO CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 62910708 375312807 /nfs/dbraw/zinc/31/28/07/375312807.db2.gz GWXUOXMIYITMRM-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 62910761 375312842 /nfs/dbraw/zinc/31/28/42/375312842.db2.gz ZHLHTPMECXYCEB-VXGBXAGGSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@]1(CN2CCCC2)CC[NH2+]C1 62910715 375312929 /nfs/dbraw/zinc/31/29/29/375312929.db2.gz YIPTULFDMAGOJO-SNVBAGLBSA-N 1 3 168.284 1.082 10 0 ADAEHO CC(C)N(C)C[C@@]1(C)CC[NH2+]C1 62910896 375313003 /nfs/dbraw/zinc/31/30/03/375313003.db2.gz MHMZBUSRJXXBAQ-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 62910762 375313037 /nfs/dbraw/zinc/31/30/37/375313037.db2.gz ZHLHTPMECXYCEB-NWDGAFQWSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 62911334 375313639 /nfs/dbraw/zinc/31/36/39/375313639.db2.gz CDSMQAXRJPSXBS-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 62911333 375313865 /nfs/dbraw/zinc/31/38/65/375313865.db2.gz CDSMQAXRJPSXBS-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC1(C)CCC[N@@H+]1C[C@H]1CCCNC1 63067276 375314147 /nfs/dbraw/zinc/31/41/47/375314147.db2.gz GNCRQYMBAQAFOC-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CCC[N@H+]1C[C@H]1CCCNC1 63067276 375314150 /nfs/dbraw/zinc/31/41/50/375314150.db2.gz GNCRQYMBAQAFOC-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CN(C[C@]1(C)CC[NH2+]C1)C1CCCC1 62911084 375314307 /nfs/dbraw/zinc/31/43/07/375314307.db2.gz JUAGJHIWSSFZPL-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCCC1 62911083 375314354 /nfs/dbraw/zinc/31/43/54/375314354.db2.gz JUAGJHIWSSFZPL-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCCCC[N@@H+]1CCCN 70408510 375332752 /nfs/dbraw/zinc/33/27/52/375332752.db2.gz QHGLQKYZLMYGDY-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO C[C@H]1CCCCC[N@H+]1CCCN 70408510 375332755 /nfs/dbraw/zinc/33/27/55/375332755.db2.gz QHGLQKYZLMYGDY-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO C[C@@H]1CCCCC[N@@H+]1CCCN 70408509 375333234 /nfs/dbraw/zinc/33/32/34/375333234.db2.gz QHGLQKYZLMYGDY-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO C[C@@H]1CCCCC[N@H+]1CCCN 70408509 375333239 /nfs/dbraw/zinc/33/32/39/375333239.db2.gz QHGLQKYZLMYGDY-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCC[NH2+][C@@H]1CCCNCC1 82666748 375368173 /nfs/dbraw/zinc/36/81/73/375368173.db2.gz NBRQCKWXBGFRBK-SECBINFHSA-N 1 3 156.273 1.128 10 0 ADAEHO C[N@H+](CC1CCC1)[C@H]1CCCNCC1 82666885 375367639 /nfs/dbraw/zinc/36/76/39/375367639.db2.gz MHDNDMXHRAQDHF-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@H]1CCCNCC1 82666885 375367653 /nfs/dbraw/zinc/36/76/53/375367653.db2.gz MHDNDMXHRAQDHF-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[NH2+][C@H]1CCCNCC1 82666749 375367664 /nfs/dbraw/zinc/36/76/64/375367664.db2.gz NBRQCKWXBGFRBK-VIFPVBQESA-N 1 3 156.273 1.128 10 0 ADAEHO CCN(C)[C@@H]1CCC[NH2+]CC1 82669173 375367734 /nfs/dbraw/zinc/36/77/34/375367734.db2.gz YNEKKHJFMPIGQR-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+](C)[C@@H]1CCCNCC1 82669173 375367739 /nfs/dbraw/zinc/36/77/39/375367739.db2.gz YNEKKHJFMPIGQR-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@@H+](C)[C@@H]1CCCNCC1 82669173 375367742 /nfs/dbraw/zinc/36/77/42/375367742.db2.gz YNEKKHJFMPIGQR-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CCCNCC1 82666758 375367894 /nfs/dbraw/zinc/36/78/94/375367894.db2.gz ZSCMXPUSIQHKAX-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CCCNCC1 82666758 375367899 /nfs/dbraw/zinc/36/78/99/375367899.db2.gz ZSCMXPUSIQHKAX-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CCCNCC1 82666661 375367981 /nfs/dbraw/zinc/36/79/81/375367981.db2.gz WONRNJPKMOYXPM-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CCCNCC1 82666661 375367987 /nfs/dbraw/zinc/36/79/87/375367987.db2.gz WONRNJPKMOYXPM-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@H+](CC1CCC1)[C@@H]1CCCNCC1 82666884 375368430 /nfs/dbraw/zinc/36/84/30/375368430.db2.gz MHDNDMXHRAQDHF-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@@H]1CCCNCC1 82666884 375368435 /nfs/dbraw/zinc/36/84/35/375368435.db2.gz MHDNDMXHRAQDHF-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CCCNCC1 82666759 375368516 /nfs/dbraw/zinc/36/85/16/375368516.db2.gz ZSCMXPUSIQHKAX-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CCCNCC1 82666759 375368522 /nfs/dbraw/zinc/36/85/22/375368522.db2.gz ZSCMXPUSIQHKAX-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CCCNCC1 82669171 375368572 /nfs/dbraw/zinc/36/85/72/375368572.db2.gz FRBIJLGANZKRCG-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CCCNCC1 82669171 375368578 /nfs/dbraw/zinc/36/85/78/375368578.db2.gz FRBIJLGANZKRCG-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCCNCC1 82669172 375368597 /nfs/dbraw/zinc/36/85/97/375368597.db2.gz FRBIJLGANZKRCG-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCCNCC1 82669172 375368601 /nfs/dbraw/zinc/36/86/01/375368601.db2.gz FRBIJLGANZKRCG-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC1(C[NH2+]C2CCNCC2)CCCC1 82625287 375368642 /nfs/dbraw/zinc/36/86/42/375368642.db2.gz PRWFJLXDYWXLHW-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CCN(C)[C@H]1CCC[NH2+]CC1 82669174 375368787 /nfs/dbraw/zinc/36/87/87/375368787.db2.gz YNEKKHJFMPIGQR-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+](C)[C@H]1CCCNCC1 82669174 375368791 /nfs/dbraw/zinc/36/87/91/375368791.db2.gz YNEKKHJFMPIGQR-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@@H+](C)[C@H]1CCCNCC1 82669174 375368797 /nfs/dbraw/zinc/36/87/97/375368797.db2.gz YNEKKHJFMPIGQR-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CCCNCC1 82666662 375368922 /nfs/dbraw/zinc/36/89/22/375368922.db2.gz WONRNJPKMOYXPM-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CCCNCC1 82666662 375368928 /nfs/dbraw/zinc/36/89/28/375368928.db2.gz WONRNJPKMOYXPM-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC1([NH2+]C[C@H]2CCCNC2)CCCC1 82785874 375371347 /nfs/dbraw/zinc/37/13/47/375371347.db2.gz BNUAWDKWRBDVTN-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO CC1([NH2+]C[C@@H]2CCCNC2)CCCC1 82785873 375371719 /nfs/dbraw/zinc/37/17/19/375371719.db2.gz BNUAWDKWRBDVTN-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[C@H](NCCC[NH3+])c1ccncc1 168328269 375398958 /nfs/dbraw/zinc/39/89/58/375398958.db2.gz BFQYTKDJEOAHON-NSHDSACASA-N 1 3 193.294 1.471 10 0 ADAEHO CC[C@@H](NCCC[NH3+])c1ccncc1 168328173 375399207 /nfs/dbraw/zinc/39/92/07/375399207.db2.gz BFQYTKDJEOAHON-LLVKDONJSA-N 1 3 193.294 1.471 10 0 ADAEHO CC(C)=CCN[C@@H](C)[C@H]1CC[NH2+]C1 400493068 375507718 /nfs/dbraw/zinc/50/77/18/375507718.db2.gz ZWHCJUZLVQHQLS-QWRGUYRKSA-N 1 3 182.311 1.540 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1C[C@H]2CCCC[C@H]2C1 306969770 375462380 /nfs/dbraw/zinc/46/23/80/375462380.db2.gz PYBZHGPFELDIGJ-SDDRHHMPSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H](CN)C[N@H+]1C[C@H]2CCCC[C@H]2C1 306969770 375462387 /nfs/dbraw/zinc/46/23/87/375462387.db2.gz PYBZHGPFELDIGJ-SDDRHHMPSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H](CN)C[N@@H+]1C[C@H]2CCCC[C@H]2C1 306969771 375462574 /nfs/dbraw/zinc/46/25/74/375462574.db2.gz PYBZHGPFELDIGJ-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@H](CN)C[N@H+]1C[C@H]2CCCC[C@H]2C1 306969771 375462579 /nfs/dbraw/zinc/46/25/79/375462579.db2.gz PYBZHGPFELDIGJ-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[C@@H]1CC[C@@H](N[C@H](C)C2CC2)C[NH2+]1 307338681 375468131 /nfs/dbraw/zinc/46/81/31/375468131.db2.gz VCIFJAPENJMALZ-FXPVBKGRSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@@H]1CC[C@H](N[C@H](C)C2CC2)C[NH2+]1 307338682 375468159 /nfs/dbraw/zinc/46/81/59/375468159.db2.gz VCIFJAPENJMALZ-KKZNHRDASA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 307338684 375468175 /nfs/dbraw/zinc/46/81/75/375468175.db2.gz VCIFJAPENJMALZ-YWVKMMECSA-N 1 3 182.311 1.515 10 0 ADAEHO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 307338683 375468238 /nfs/dbraw/zinc/46/82/38/375468238.db2.gz VCIFJAPENJMALZ-WCABBAIRSA-N 1 3 182.311 1.515 10 0 ADAEHO CNCCC[NH2+][C@H](C)C(C)C 318833147 375477239 /nfs/dbraw/zinc/47/72/39/375477239.db2.gz AHJQTGMTYRDGEB-SECBINFHSA-N 1 3 158.289 1.230 10 0 ADAEHO CNCCC[NH2+][C@@H](C)C(C)C 318833154 375477398 /nfs/dbraw/zinc/47/73/98/375477398.db2.gz AHJQTGMTYRDGEB-VIFPVBQESA-N 1 3 158.289 1.230 10 0 ADAEHO NCCC[NH2+][C@@H](C1CCC1)C1CC1 324908425 375479709 /nfs/dbraw/zinc/47/97/09/375479709.db2.gz JBZLESLBWXEPES-NSHDSACASA-N 1 3 182.311 1.504 10 0 ADAEHO NCCC[NH2+][C@H](C1CCC1)C1CC1 324908424 375480785 /nfs/dbraw/zinc/48/07/85/375480785.db2.gz JBZLESLBWXEPES-LLVKDONJSA-N 1 3 182.311 1.504 10 0 ADAEHO CC(C)(CC[NH2+][C@@H]1CCNC1)C1CC1 328556296 375482002 /nfs/dbraw/zinc/48/20/02/375482002.db2.gz ZYCVYPMCOPSSPD-LLVKDONJSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)(CC[NH2+][C@H]1CCNC1)C1CC1 328556297 375482024 /nfs/dbraw/zinc/48/20/24/375482024.db2.gz ZYCVYPMCOPSSPD-NSHDSACASA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 400334086 375503092 /nfs/dbraw/zinc/50/30/92/375503092.db2.gz CSHLWCLQWSCDCZ-GARJFASQSA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN1 400334086 375503096 /nfs/dbraw/zinc/50/30/96/375503096.db2.gz CSHLWCLQWSCDCZ-GARJFASQSA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)=CCCN[C@H](C)[C@H]1CC[NH2+]C1 400328550 375503111 /nfs/dbraw/zinc/50/31/11/375503111.db2.gz BCYGOVHSEWYNQH-NEPJUHHUSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)=CCCN[C@@H](C)[C@@H]1CC[NH2+]C1 400328551 375503488 /nfs/dbraw/zinc/50/34/88/375503488.db2.gz BCYGOVHSEWYNQH-NWDGAFQWSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 400334081 375503527 /nfs/dbraw/zinc/50/35/27/375503527.db2.gz CSHLWCLQWSCDCZ-AXFHLTTASA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN1 400334081 375503533 /nfs/dbraw/zinc/50/35/33/375503533.db2.gz CSHLWCLQWSCDCZ-AXFHLTTASA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)=CCCN[C@@H](C)[C@H]1CC[NH2+]C1 400328552 375503544 /nfs/dbraw/zinc/50/35/44/375503544.db2.gz BCYGOVHSEWYNQH-RYUDHWBXSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 400334089 375503762 /nfs/dbraw/zinc/50/37/62/375503762.db2.gz CSHLWCLQWSCDCZ-HBNTYKKESA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCN1 400334089 375503770 /nfs/dbraw/zinc/50/37/70/375503770.db2.gz CSHLWCLQWSCDCZ-HBNTYKKESA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)=CCCN[C@H](C)[C@@H]1CC[NH2+]C1 400328554 375503965 /nfs/dbraw/zinc/50/39/65/375503965.db2.gz BCYGOVHSEWYNQH-VXGBXAGGSA-N 1 3 196.338 1.930 10 0 ADAEHO CC(C)[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 400334084 375504053 /nfs/dbraw/zinc/50/40/53/375504053.db2.gz CSHLWCLQWSCDCZ-DCAQKATOSA-N 1 3 184.327 1.761 10 0 ADAEHO CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN1 400334084 375504061 /nfs/dbraw/zinc/50/40/61/375504061.db2.gz CSHLWCLQWSCDCZ-DCAQKATOSA-N 1 3 184.327 1.761 10 0 ADAEHO CC/C=C/CN[C@H](C)[C@H]1CC[NH2+]C1 400382544 375504657 /nfs/dbraw/zinc/50/46/57/375504657.db2.gz KUAUHJKGQRDJJR-ZJRFNNFUSA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C/CN[C@H](C)[C@@H]1CC[NH2+]C1 400382543 375504752 /nfs/dbraw/zinc/50/47/52/375504752.db2.gz KUAUHJKGQRDJJR-XKFHPXPTSA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C\CN[C@H](C)[C@H]1CC[NH2+]C1 400382540 375504775 /nfs/dbraw/zinc/50/47/75/375504775.db2.gz KUAUHJKGQRDJJR-KWKBKKAHSA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C\CN[C@H](C)[C@@H]1CC[NH2+]C1 400382542 375505066 /nfs/dbraw/zinc/50/50/66/375505066.db2.gz KUAUHJKGQRDJJR-WQMVXFAESA-N 1 3 182.311 1.540 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H](C)[C@@H]1CC[NH2+]C1 400436867 375506204 /nfs/dbraw/zinc/50/62/04/375506204.db2.gz MYMCOJXIAHXLHB-QCNOEVLYSA-N 1 3 196.338 1.763 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H](C)[C@H]1CC[NH2+]C1 400436871 375506245 /nfs/dbraw/zinc/50/62/45/375506245.db2.gz MYMCOJXIAHXLHB-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H](C)[C@@H]1CC[NH2+]C1 400436865 375506253 /nfs/dbraw/zinc/50/62/53/375506253.db2.gz MYMCOJXIAHXLHB-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C/C=C\CN[C@H](C)[C@H]1CC[NH2+]C1 400417868 375506371 /nfs/dbraw/zinc/50/63/71/375506371.db2.gz VQYGXRHVDIZREH-QKMQQOOLSA-N 1 3 168.284 1.150 10 0 ADAEHO C/C=C/CN[C@H](C)[C@@H]1CC[NH2+]C1 400417522 375506441 /nfs/dbraw/zinc/50/64/41/375506441.db2.gz VQYGXRHVDIZREH-HIHHVFROSA-N 1 3 168.284 1.150 10 0 ADAEHO C/C=C/CN[C@H](C)[C@H]1CC[NH2+]C1 400417865 375506655 /nfs/dbraw/zinc/50/66/55/375506655.db2.gz VQYGXRHVDIZREH-OKWQPMOJSA-N 1 3 168.284 1.150 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H](C)[C@H]1CC[NH2+]C1 400436869 375506785 /nfs/dbraw/zinc/50/67/85/375506785.db2.gz MYMCOJXIAHXLHB-USZNOCQGSA-N 1 3 196.338 1.763 10 0 ADAEHO C/C=C\CN[C@H](C)[C@@H]1CC[NH2+]C1 400417523 375506898 /nfs/dbraw/zinc/50/68/98/375506898.db2.gz VQYGXRHVDIZREH-HWKXXFMVSA-N 1 3 168.284 1.150 10 0 ADAEHO CC(C)=CCN[C@H](C)[C@H]1CC[NH2+]C1 400493067 375507725 /nfs/dbraw/zinc/50/77/25/375507725.db2.gz ZWHCJUZLVQHQLS-MNOVXSKESA-N 1 3 182.311 1.540 10 0 ADAEHO CC(C)=CCN[C@H](C)[C@@H]1CC[NH2+]C1 400493065 375507900 /nfs/dbraw/zinc/50/79/00/375507900.db2.gz ZWHCJUZLVQHQLS-GHMZBOCLSA-N 1 3 182.311 1.540 10 0 ADAEHO CC(C)=CCN[C@@H](C)[C@@H]1CC[NH2+]C1 400493070 375508207 /nfs/dbraw/zinc/50/82/07/375508207.db2.gz ZWHCJUZLVQHQLS-WDEREUQCSA-N 1 3 182.311 1.540 10 0 ADAEHO Cc1ccc(CN(C)C)cc1C[NH3+] 536953391 375545649 /nfs/dbraw/zinc/54/56/49/375545649.db2.gz JSGKKFYZHBWXKK-UHFFFAOYSA-N 1 3 178.279 1.515 10 0 ADAEHO C[C@H]([C@H]1CC[NH2+]C1)N1CCC1(C)C 575594634 375551090 /nfs/dbraw/zinc/55/10/90/375551090.db2.gz KSQYYJVTUOPACJ-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@@H]1CC[NH2+]C1)N1CCC1(C)C 575594633 375551118 /nfs/dbraw/zinc/55/11/18/375551118.db2.gz KSQYYJVTUOPACJ-VHSXEESVSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN1C[C@]1(C)CCC[C@H]1[NH3+] 575594622 375551130 /nfs/dbraw/zinc/55/11/30/375551130.db2.gz KOBDDABJAZIXAR-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1C[C@@]1(C)CCC[C@H]1[NH3+] 575594621 375551163 /nfs/dbraw/zinc/55/11/63/375551163.db2.gz KOBDDABJAZIXAR-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCN1C[C@]1(C)CCC[C@@H]1[NH3+] 575594624 375551206 /nfs/dbraw/zinc/55/12/06/375551206.db2.gz KOBDDABJAZIXAR-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([C@@H]1CC[NH2+]C1)N1CCC1(C)C 575594631 375551242 /nfs/dbraw/zinc/55/12/42/375551242.db2.gz KSQYYJVTUOPACJ-NXEZZACHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]([C@H]1CC[NH2+]C1)N1CCC1(C)C 575594632 375551306 /nfs/dbraw/zinc/55/13/06/375551306.db2.gz KSQYYJVTUOPACJ-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN1C[C@@]1(C)CCC[C@@H]1[NH3+] 575594623 375551325 /nfs/dbraw/zinc/55/13/25/375551325.db2.gz KOBDDABJAZIXAR-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO NCCC[N@@H+]1CCCC[C@H]1C1CCC1 647553181 375663452 /nfs/dbraw/zinc/66/34/52/375663452.db2.gz GMFDSQUOZPDHST-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO NCCC[N@H+]1CCCC[C@H]1C1CCC1 647553181 375663456 /nfs/dbraw/zinc/66/34/56/375663456.db2.gz GMFDSQUOZPDHST-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CC(C)C[NH2+][C@H]1CCNC12CCCC2 647553857 375663649 /nfs/dbraw/zinc/66/36/49/375663649.db2.gz LDRXUBHCKXRKLQ-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO NCCC[NH2+]CC1CCC(F)CC1 647553220 375663665 /nfs/dbraw/zinc/66/36/65/375663665.db2.gz JXNLXXXAKTVLQO-UHFFFAOYSA-N 1 3 188.290 1.453 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CCNC12CCCC2 647553856 375663740 /nfs/dbraw/zinc/66/37/40/375663740.db2.gz LDRXUBHCKXRKLQ-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO NCCC[N@@H+]1CCCC[C@@H]1C1CCC1 647553180 375664194 /nfs/dbraw/zinc/66/41/94/375664194.db2.gz GMFDSQUOZPDHST-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO NCCC[N@H+]1CCCC[C@@H]1C1CCC1 647553180 375664199 /nfs/dbraw/zinc/66/41/99/375664199.db2.gz GMFDSQUOZPDHST-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H](C[NH2+][C@H]1CCNC1)CC(F)F 647800615 375667652 /nfs/dbraw/zinc/66/76/52/375667652.db2.gz HWWISFDGTWXYFM-SFYZADRCSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CCNC1)CC(F)F 647800614 375667795 /nfs/dbraw/zinc/66/77/95/375667795.db2.gz HWWISFDGTWXYFM-JGVFFNPUSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CNC1 647803957 375667853 /nfs/dbraw/zinc/66/78/53/375667853.db2.gz FVQPASIVPNZDPA-BTQIBKBOSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@H](C[NH2+][C@H]1CCNC1)CC(F)F 647800616 375667904 /nfs/dbraw/zinc/66/79/04/375667904.db2.gz HWWISFDGTWXYFM-YUMQZZPRSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CNC1 647803959 375667992 /nfs/dbraw/zinc/66/79/92/375667992.db2.gz FVQPASIVPNZDPA-QFOLPQNPSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@@H](C[NH2+][C@@H]1CCNC1)CC(F)F 647800613 375668031 /nfs/dbraw/zinc/66/80/31/375668031.db2.gz HWWISFDGTWXYFM-HTQZYQBOSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 647804795 375668121 /nfs/dbraw/zinc/66/81/21/375668121.db2.gz ZJDBXAJNEJQKGU-UHFZAUJKSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 647804794 375668204 /nfs/dbraw/zinc/66/82/04/375668204.db2.gz ZJDBXAJNEJQKGU-PREPNJAASA-N 1 3 196.338 1.890 10 0 ADAEHO CCCC[NH2+]C1CCNCC1 36436834 409319162 /nfs/dbraw/zinc/31/91/62/409319162.db2.gz IETFBKOGVBSBJQ-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO CCCCN1CCC([NH2+]C)CC1 37240432 409325879 /nfs/dbraw/zinc/32/58/79/409325879.db2.gz PJWZTMATHPXZCW-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO C[NH2+]C1CCN(CCC(C)C)CC1 37240450 409326770 /nfs/dbraw/zinc/32/67/70/409326770.db2.gz OSWWVEVPHDSZBT-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CNC1CC[NH+](CCC(C)C)CC1 37240450 409326777 /nfs/dbraw/zinc/32/67/77/409326777.db2.gz OSWWVEVPHDSZBT-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCC[C@H](C)[NH2+]CCCN 37713748 409333250 /nfs/dbraw/zinc/33/32/50/409333250.db2.gz GIBMACPDLGMMNP-VIFPVBQESA-N 1 3 158.289 1.504 10 0 ADAEHO Cc1ccc([C@H](C)NCCC[NH3+])cc1 37713165 409333349 /nfs/dbraw/zinc/33/33/49/409333349.db2.gz KFRMTWNCUQWDSW-NSHDSACASA-N 1 3 192.306 1.994 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]CCCN)C1 37713116 409335072 /nfs/dbraw/zinc/33/50/72/409335072.db2.gz KJUIXNMHXVQIBL-ZJUUUORDSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H]1CCC[C@H](C)C1[NH2+]CCCN 37713121 409333509 /nfs/dbraw/zinc/33/35/09/409333509.db2.gz VFFCEDLBCXYUCN-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H](NCCC[NH3+])c1cccs1 37713203 409333565 /nfs/dbraw/zinc/33/35/65/409333565.db2.gz YSBHFRBVGUBIJQ-QMMMGPOBSA-N 1 3 184.308 1.748 10 0 ADAEHO CC[C@@H]([NH2+]CCCN)C(C)C 37713750 409333597 /nfs/dbraw/zinc/33/35/97/409333597.db2.gz ZORGVDNWUJRGKD-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@H](NCCC[NH3+])c1ccc(F)cc1 37713214 409333821 /nfs/dbraw/zinc/33/38/21/409333821.db2.gz BUGYODBGHJDHJC-VIFPVBQESA-N 1 3 196.269 1.825 10 0 ADAEHO CC(C)CC[C@@H](C)[NH2+]CCCN 37713393 409334176 /nfs/dbraw/zinc/33/41/76/409334176.db2.gz UEWYUGRKXRQNOR-SNVBAGLBSA-N 1 3 172.316 1.750 10 0 ADAEHO CC(C)CC[C@H](C)[NH2+]CCCN 37713394 409334183 /nfs/dbraw/zinc/33/41/83/409334183.db2.gz UEWYUGRKXRQNOR-JTQLQIEISA-N 1 3 172.316 1.750 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]CCCN)C1 37713118 409334269 /nfs/dbraw/zinc/33/42/69/409334269.db2.gz KJUIXNMHXVQIBL-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO CCC1CCC([NH2+]CCCN)CC1 37713100 409334311 /nfs/dbraw/zinc/33/43/11/409334311.db2.gz WXATYYZNEKEISO-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H]([NH2+]CCCN)C(C)C 37713749 409334343 /nfs/dbraw/zinc/33/43/43/409334343.db2.gz ZORGVDNWUJRGKD-VIFPVBQESA-N 1 3 158.289 1.359 10 0 ADAEHO CCCC(CCC)[NH2+]CCCN 37713391 409334451 /nfs/dbraw/zinc/33/44/51/409334451.db2.gz GFQYFLZCILIXOZ-UHFFFAOYSA-N 1 3 172.316 1.894 10 0 ADAEHO CCCC[C@@H](C)[NH2+]CCCN 37713747 409334465 /nfs/dbraw/zinc/33/44/65/409334465.db2.gz GIBMACPDLGMMNP-SECBINFHSA-N 1 3 158.289 1.504 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]CCCN)C1 37713117 409334534 /nfs/dbraw/zinc/33/45/34/409334534.db2.gz KJUIXNMHXVQIBL-UWVGGRQHSA-N 1 3 170.300 1.504 10 0 ADAEHO NCCC[NH2+]C(C1CC1)C1CC1 37713224 409334566 /nfs/dbraw/zinc/33/45/66/409334566.db2.gz CQTVUNJUJXIOTP-UHFFFAOYSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCN 37713122 409334602 /nfs/dbraw/zinc/33/46/02/409334602.db2.gz VFFCEDLBCXYUCN-NXEZZACHSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]CCCN)C1 37713119 409334656 /nfs/dbraw/zinc/33/46/56/409334656.db2.gz KJUIXNMHXVQIBL-VHSXEESVSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H](CCc1ccco1)[NH2+]CCCN 37713609 409334763 /nfs/dbraw/zinc/33/47/63/409334763.db2.gz NCMZFXFNGWHCAW-SNVBAGLBSA-N 1 3 196.294 1.539 10 0 ADAEHO C[C@H](CCc1ccco1)NCCC[NH3+] 37713609 409334768 /nfs/dbraw/zinc/33/47/68/409334768.db2.gz NCMZFXFNGWHCAW-SNVBAGLBSA-N 1 3 196.294 1.539 10 0 ADAEHO CCCCC[NH2+]C1CCNCC1 38040487 409340530 /nfs/dbraw/zinc/34/05/30/409340530.db2.gz LMUIVDFWYWLQKE-UHFFFAOYSA-N 1 3 170.300 1.518 10 0 ADAEHO CC(C)CN(C)CCC[NH2+]CC1CC1 651865879 409340950 /nfs/dbraw/zinc/34/09/50/409340950.db2.gz LDMFFMIJRAQZSS-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@@H]1CCCNC1 40407806 409342875 /nfs/dbraw/zinc/34/28/75/409342875.db2.gz COIXJRBMFLYLLE-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@H](C)[NH2+]C[C@H]1CCCNC1 40407814 409343073 /nfs/dbraw/zinc/34/30/73/409343073.db2.gz COIXJRBMFLYLLE-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@H]1CCCNC1 40407810 409343514 /nfs/dbraw/zinc/34/35/14/409343514.db2.gz COIXJRBMFLYLLE-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCN 42602212 409351929 /nfs/dbraw/zinc/35/19/29/409351929.db2.gz ITOFCXVTJGHNOC-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCN 42602212 409351936 /nfs/dbraw/zinc/35/19/36/409351936.db2.gz ITOFCXVTJGHNOC-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCN 42602211 409352480 /nfs/dbraw/zinc/35/24/80/409352480.db2.gz ITOFCXVTJGHNOC-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCN 42602211 409352489 /nfs/dbraw/zinc/35/24/89/409352489.db2.gz ITOFCXVTJGHNOC-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCN 42602214 409352962 /nfs/dbraw/zinc/35/29/62/409352962.db2.gz ITOFCXVTJGHNOC-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCN 42602214 409352967 /nfs/dbraw/zinc/35/29/67/409352967.db2.gz ITOFCXVTJGHNOC-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCCC[C@H]1[N@H+](C)CCCN 42602216 409354029 /nfs/dbraw/zinc/35/40/29/409354029.db2.gz ITOFCXVTJGHNOC-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)CCCN 42602216 409354032 /nfs/dbraw/zinc/35/40/32/409354032.db2.gz ITOFCXVTJGHNOC-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 49708525 409373702 /nfs/dbraw/zinc/37/37/02/409373702.db2.gz WBWGGMINPRUJCC-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 49708525 409373706 /nfs/dbraw/zinc/37/37/06/409373706.db2.gz WBWGGMINPRUJCC-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 49708525 409373712 /nfs/dbraw/zinc/37/37/12/409373712.db2.gz WBWGGMINPRUJCC-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@H](C)CN1CC[C@H]([NH3+])C1 50228084 409376886 /nfs/dbraw/zinc/37/68/86/409376886.db2.gz DCTLWRVJMPZDLC-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@@H](C)CN1CC[C@H]([NH3+])C1 50228083 409377392 /nfs/dbraw/zinc/37/73/92/409377392.db2.gz DCTLWRVJMPZDLC-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C)CN1CCC([NH2+]C)CC1 50423185 409379004 /nfs/dbraw/zinc/37/90/04/409379004.db2.gz QLVCMZLTHCEQQG-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H](C)C[NH+]1CCC(NC)CC1 50423185 409379009 /nfs/dbraw/zinc/37/90/09/409379009.db2.gz QLVCMZLTHCEQQG-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)CN1CCC([NH2+]C)CC1 50423183 409379269 /nfs/dbraw/zinc/37/92/69/409379269.db2.gz QLVCMZLTHCEQQG-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)C[NH+]1CCC(NC)CC1 50423183 409379275 /nfs/dbraw/zinc/37/92/75/409379275.db2.gz QLVCMZLTHCEQQG-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@@H](C)C[N@@H+]1CC[C@H](CN)C1 50245537 409380318 /nfs/dbraw/zinc/38/03/18/409380318.db2.gz WZFYVSZCPMOOSQ-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@@H](C)C[N@H+]1CC[C@H](CN)C1 50245537 409380323 /nfs/dbraw/zinc/38/03/23/409380323.db2.gz WZFYVSZCPMOOSQ-GHMZBOCLSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H](C)C[N@@H+]1CC[C@H](CN)C1 50245538 409380488 /nfs/dbraw/zinc/38/04/88/409380488.db2.gz WZFYVSZCPMOOSQ-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H](C)C[N@H+]1CC[C@H](CN)C1 50245538 409380492 /nfs/dbraw/zinc/38/04/92/409380492.db2.gz WZFYVSZCPMOOSQ-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@@H](C)CC 53493350 409386150 /nfs/dbraw/zinc/38/61/50/409386150.db2.gz IEBKYIQGUBRHRX-DTWKUNHWSA-N 1 3 158.289 1.373 10 0 ADAEHO CC[NH2+]CCN[C@H](C)C(C)C 53387959 409386213 /nfs/dbraw/zinc/38/62/13/409386213.db2.gz DFZCYQDNFPWJKX-SECBINFHSA-N 1 3 158.289 1.230 10 0 ADAEHO CC[NH2+][C@H](C)CN[C@H](C)CC 53493348 409388086 /nfs/dbraw/zinc/38/80/86/409388086.db2.gz IEBKYIQGUBRHRX-RKDXNWHRSA-N 1 3 158.289 1.373 10 0 ADAEHO CC[NH2+]CCN[C@@H](C)C(C)C 53387956 409388370 /nfs/dbraw/zinc/38/83/70/409388370.db2.gz DFZCYQDNFPWJKX-VIFPVBQESA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@H]([NH2+]CCCN)C1CCCC1 54080483 409390656 /nfs/dbraw/zinc/39/06/56/409390656.db2.gz PXCURMVSCFQZMT-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO CCCC[NH2+][C@@H]1CCCNCC1 60148920 409398302 /nfs/dbraw/zinc/39/83/02/409398302.db2.gz MFIWKXIGDFNEDV-SNVBAGLBSA-N 1 3 170.300 1.518 10 0 ADAEHO CCCC[NH2+][C@H]1CCCNCC1 60148922 409398597 /nfs/dbraw/zinc/39/85/97/409398597.db2.gz MFIWKXIGDFNEDV-JTQLQIEISA-N 1 3 170.300 1.518 10 0 ADAEHO CCN(CC)C[C@]1(C)CC[NH2+]C1 62910726 409400852 /nfs/dbraw/zinc/40/08/52/409400852.db2.gz QZFJCYPCPNHJCQ-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CCN(CC)C[C@@]1(C)CC[NH2+]C1 62910727 409401479 /nfs/dbraw/zinc/40/14/79/409401479.db2.gz QZFJCYPCPNHJCQ-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CCCCN(C)C[C@]1(C)CC[NH2+]C1 62910835 409401669 /nfs/dbraw/zinc/40/16/69/409401669.db2.gz SSNZJLNAFFDQAP-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CN(CC(C)(C)C)C[C@]1(C)CC[NH2+]C1 62912172 409403276 /nfs/dbraw/zinc/40/32/76/409403276.db2.gz ZDQSIDNMRGZDPE-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)CN(C)C[C@]1(C)CC[NH2+]C1 62911144 409403434 /nfs/dbraw/zinc/40/34/34/409403434.db2.gz DPOAPVABSMDHEF-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)CN(C)C[C@@]1(C)CC[NH2+]C1 62911114 409403333 /nfs/dbraw/zinc/40/33/33/409403333.db2.gz APXSKZIFDAUMAG-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CNCCC[N@@H+]1CCCC1(C)C 63066950 409403375 /nfs/dbraw/zinc/40/33/75/409403375.db2.gz HLEUGWRGNHIWIX-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CNCCC[N@H+]1CCCC1(C)C 63066950 409403382 /nfs/dbraw/zinc/40/33/82/409403382.db2.gz HLEUGWRGNHIWIX-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CN(CC1CC1)C[C@]1(C)CC[NH2+]C1 62911346 409403472 /nfs/dbraw/zinc/40/34/72/409403472.db2.gz FDXYNLPKWKSWGC-LLVKDONJSA-N 1 3 182.311 1.328 10 0 ADAEHO CC(C)CCN(C)C[C@]1(C)CC[NH2+]C1 62911639 409403579 /nfs/dbraw/zinc/40/35/79/409403579.db2.gz XFSUZZWJXKSAPB-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H](C1CC1)N(C)C[C@]1(C)CC[NH2+]C1 62911227 409403623 /nfs/dbraw/zinc/40/36/23/409403623.db2.gz WUFUEAFRAHKQLJ-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](C1CC1)N(C)C[C@]1(C)CC[NH2+]C1 62911228 409403764 /nfs/dbraw/zinc/40/37/64/409403764.db2.gz WUFUEAFRAHKQLJ-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CCCN(CC)C[C@@]1(C)CC[NH2+]C1 62911090 409403831 /nfs/dbraw/zinc/40/38/31/409403831.db2.gz CNDVBUIJFOZWID-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@]1(C)CC[NH2+]C1 62911234 409403846 /nfs/dbraw/zinc/40/38/46/409403846.db2.gz LTGLAWUCOCHTCW-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(CC(C)C)C[C@]1(C)CC[NH2+]C1 62911125 409403943 /nfs/dbraw/zinc/40/39/43/409403943.db2.gz UWRVTFZADBTRJI-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CCN(CC(C)C)C[C@@]1(C)CC[NH2+]C1 62911126 409404084 /nfs/dbraw/zinc/40/40/84/409404084.db2.gz UWRVTFZADBTRJI-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C)CN(C)C[C@]1(C)CC[NH2+]C1 62911143 409404216 /nfs/dbraw/zinc/40/42/16/409404216.db2.gz DPOAPVABSMDHEF-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H](C)N(C)C[C@]1(C)CC[NH2+]C1 62911120 409404622 /nfs/dbraw/zinc/40/46/22/409404622.db2.gz PYVKDUHULCRUKH-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CN(C)C[C@]1(C)CC[NH2+]C1 62911113 409404705 /nfs/dbraw/zinc/40/47/05/409404705.db2.gz APXSKZIFDAUMAG-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO CCCN(C)C[C@]1(C)CC[NH2+]C1 62911107 409404720 /nfs/dbraw/zinc/40/47/20/409404720.db2.gz KGUNCKRASSGDRW-SNVBAGLBSA-N 1 3 170.300 1.328 10 0 ADAEHO CCCN(C[C@]1(C)CC[NH2+]C1)C1CC1 62911101 409404745 /nfs/dbraw/zinc/40/47/45/409404745.db2.gz OHHIRRIWCFCXKK-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCCN(C)C[C@@]1(C)CC[NH2+]C1 62910836 409404801 /nfs/dbraw/zinc/40/48/01/409404801.db2.gz SSNZJLNAFFDQAP-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CN(CC1CC1)C[C@@]1(C)CC[NH2+]C1 62911345 409404877 /nfs/dbraw/zinc/40/48/77/409404877.db2.gz FDXYNLPKWKSWGC-NSHDSACASA-N 1 3 182.311 1.328 10 0 ADAEHO CCCN(CC)C[C@]1(C)CC[NH2+]C1 62911089 409404892 /nfs/dbraw/zinc/40/48/92/409404892.db2.gz CNDVBUIJFOZWID-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)CCN(C)C[C@@]1(C)CC[NH2+]C1 62911640 409404924 /nfs/dbraw/zinc/40/49/24/409404924.db2.gz XFSUZZWJXKSAPB-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@@H](C)N(C)C[C@]1(C)CC[NH2+]C1 62911233 409404936 /nfs/dbraw/zinc/40/49/36/409404936.db2.gz LTGLAWUCOCHTCW-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CN(CC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 62912171 409404948 /nfs/dbraw/zinc/40/49/48/409404948.db2.gz ZDQSIDNMRGZDPE-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCN(C[C@@]1(C)CC[NH2+]C1)C1CC1 62911102 409405023 /nfs/dbraw/zinc/40/50/23/409405023.db2.gz OHHIRRIWCFCXKK-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)N(C)C[C@]1(C)CC[NH2+]C1 62911119 409405062 /nfs/dbraw/zinc/40/50/62/409405062.db2.gz PYVKDUHULCRUKH-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN(C)C[C@@]1(C)CC[NH2+]C1 62911108 409405158 /nfs/dbraw/zinc/40/51/58/409405158.db2.gz KGUNCKRASSGDRW-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@H+](CCCNC)CC1CC1 68946866 409407201 /nfs/dbraw/zinc/40/72/01/409407201.db2.gz HCSFTMLSSZVJCJ-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC[N@@H+](CCCNC)CC1CC1 68946866 409407203 /nfs/dbraw/zinc/40/72/03/409407203.db2.gz HCSFTMLSSZVJCJ-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CCN(CCC[NH2+]C)CC1CC1 68946866 409407207 /nfs/dbraw/zinc/40/72/07/409407207.db2.gz HCSFTMLSSZVJCJ-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+]CCCN)[C@@H]1C 68624695 409407541 /nfs/dbraw/zinc/40/75/41/409407541.db2.gz AOPKHTALSHHYNJ-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]CCCN)[C@@H]1C 68624698 409407580 /nfs/dbraw/zinc/40/75/80/409407580.db2.gz AOPKHTALSHHYNJ-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CCN(CC1CC1)C[C@]1(C)CC[NH2+]C1 68947579 409409306 /nfs/dbraw/zinc/40/93/06/409409306.db2.gz SGMZDCRYJUTKEB-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO CCN(CC1CC1)C[C@@]1(C)CC[NH2+]C1 68947581 409409404 /nfs/dbraw/zinc/40/94/04/409409404.db2.gz SGMZDCRYJUTKEB-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CCCNCC1 68948761 409409826 /nfs/dbraw/zinc/40/98/26/409409826.db2.gz NKNCSIRJDRSYMA-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CCCNCC1 68948761 409409827 /nfs/dbraw/zinc/40/98/27/409409827.db2.gz NKNCSIRJDRSYMA-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CCCNCC1 68948763 409410052 /nfs/dbraw/zinc/41/00/52/409410052.db2.gz NKNCSIRJDRSYMA-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CCCNCC1 68948763 409410056 /nfs/dbraw/zinc/41/00/56/409410056.db2.gz NKNCSIRJDRSYMA-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCC[C@H](CC)[NH2+]CCCN 68986714 409410090 /nfs/dbraw/zinc/41/00/90/409410090.db2.gz HIHKDBMWRLEGKT-JTQLQIEISA-N 1 3 172.316 1.894 10 0 ADAEHO CCCC[C@@H](CC)[NH2+]CCCN 68986710 409410276 /nfs/dbraw/zinc/41/02/76/409410276.db2.gz HIHKDBMWRLEGKT-SNVBAGLBSA-N 1 3 172.316 1.894 10 0 ADAEHO [NH3+]CCN1CCC[C@@H]1CC1CCCC1 655949142 409419685 /nfs/dbraw/zinc/41/96/85/409419685.db2.gz NQWZJWYFANGHBL-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+]CCN1CCC[C@H]1CC1CCCC1 655949143 409420091 /nfs/dbraw/zinc/42/00/91/409420091.db2.gz NQWZJWYFANGHBL-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCCOC2)C1 656199175 409423781 /nfs/dbraw/zinc/42/37/81/409423781.db2.gz UCFHGRQZEDSJTQ-DCAQKATOSA-N 1 3 198.310 1.025 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC23CC3)C1 656200205 409423836 /nfs/dbraw/zinc/42/38/36/409423836.db2.gz HMYPIULMSDSZMX-KXUCPTDWSA-N 1 3 180.295 1.398 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC3)C1 656200205 409423843 /nfs/dbraw/zinc/42/38/43/409423843.db2.gz HMYPIULMSDSZMX-KXUCPTDWSA-N 1 3 180.295 1.398 10 0 ADAEHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@H](N)C1 656199000 409424428 /nfs/dbraw/zinc/42/44/28/409424428.db2.gz APAFUYPHJYJGTA-LPEHRKFASA-N 1 3 188.290 1.594 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCCOC2)C1 656199174 409424465 /nfs/dbraw/zinc/42/44/65/409424465.db2.gz UCFHGRQZEDSJTQ-AXFHLTTASA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H](F)CC[NH2+][C@H]1CCC[C@@H](N)C1 656198994 409424534 /nfs/dbraw/zinc/42/45/34/409424534.db2.gz APAFUYPHJYJGTA-AEJSXWLSSA-N 1 3 188.290 1.594 10 0 ADAEHO C[C@H](F)CC[NH2+][C@H]1CCC[C@H](N)C1 656198996 409425150 /nfs/dbraw/zinc/42/51/50/409425150.db2.gz APAFUYPHJYJGTA-GUBZILKMSA-N 1 3 188.290 1.594 10 0 ADAEHO C[C@H](F)CC[NH2+][C@@H]1CCC[C@@H](N)C1 656198998 409425176 /nfs/dbraw/zinc/42/51/76/409425176.db2.gz APAFUYPHJYJGTA-IVZWLZJFSA-N 1 3 188.290 1.594 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC23CC3)C1 656200204 409425224 /nfs/dbraw/zinc/42/52/24/409425224.db2.gz HMYPIULMSDSZMX-BBBLOLIVSA-N 1 3 180.295 1.398 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC3)C1 656200204 409425227 /nfs/dbraw/zinc/42/52/27/409425227.db2.gz HMYPIULMSDSZMX-BBBLOLIVSA-N 1 3 180.295 1.398 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC23CC3)C1 656200206 409425334 /nfs/dbraw/zinc/42/53/34/409425334.db2.gz HMYPIULMSDSZMX-OPRDCNLKSA-N 1 3 180.295 1.398 10 0 ADAEHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC3)C1 656200206 409425338 /nfs/dbraw/zinc/42/53/38/409425338.db2.gz HMYPIULMSDSZMX-OPRDCNLKSA-N 1 3 180.295 1.398 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CC23CC3)C1 656200207 409425429 /nfs/dbraw/zinc/42/54/29/409425429.db2.gz HMYPIULMSDSZMX-UTLUCORTSA-N 1 3 180.295 1.398 10 0 ADAEHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC3)C1 656200207 409425432 /nfs/dbraw/zinc/42/54/32/409425432.db2.gz HMYPIULMSDSZMX-UTLUCORTSA-N 1 3 180.295 1.398 10 0 ADAEHO CC[C@H]1CCC[C@@H]([NH2+]CCCN)C1 70562708 409427297 /nfs/dbraw/zinc/42/72/97/409427297.db2.gz CNSBOUMKROVHJV-WDEREUQCSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H]1CCC[C@H]([NH2+]CCCN)C1 70562706 409427385 /nfs/dbraw/zinc/42/73/85/409427385.db2.gz CNSBOUMKROVHJV-QWRGUYRKSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@@H]1CCC[C@H]([NH2+]CCCN)C1 70562705 409428427 /nfs/dbraw/zinc/42/84/27/409428427.db2.gz CNSBOUMKROVHJV-MNOVXSKESA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@@H]1CCC[C@@H]([NH2+]CCCN)C1 70562707 409428873 /nfs/dbraw/zinc/42/88/73/409428873.db2.gz CNSBOUMKROVHJV-GHMZBOCLSA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(C)CCC[C@@H]([NH2+]CCCN)C1 70628987 409432841 /nfs/dbraw/zinc/43/28/41/409432841.db2.gz QGPBTUDHGMAXNQ-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]CCCN)C1 70643359 409432917 /nfs/dbraw/zinc/43/29/17/409432917.db2.gz ZKNDKDJNPHLJLX-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN 70621543 409433261 /nfs/dbraw/zinc/43/32/61/409433261.db2.gz IJGZWHGGYOTPPB-MNOVXSKESA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(C)CCC([NH2+]CCCN)CC1 70623096 409433533 /nfs/dbraw/zinc/43/35/33/409433533.db2.gz SMZDQDHWHRPDDG-UHFFFAOYSA-N 1 3 184.327 1.894 10 0 ADAEHO CC1(C)CCC[C@H]([NH2+]CCCN)C1 70628986 409433711 /nfs/dbraw/zinc/43/37/11/409433711.db2.gz QGPBTUDHGMAXNQ-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H]1CCCC[C@H]1[NH2+]CCCN 70621546 409433762 /nfs/dbraw/zinc/43/37/62/409433762.db2.gz IJGZWHGGYOTPPB-WDEREUQCSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@@H]1CCCC[C@H]1[NH2+]CCCN 70621545 409434033 /nfs/dbraw/zinc/43/40/33/409434033.db2.gz IJGZWHGGYOTPPB-GHMZBOCLSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@H]1CCCC[C@@H]1[NH2+]CCCN 70621544 409434071 /nfs/dbraw/zinc/43/40/71/409434071.db2.gz IJGZWHGGYOTPPB-QWRGUYRKSA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]CCCN)C1 70643360 409435073 /nfs/dbraw/zinc/43/50/73/409435073.db2.gz ZKNDKDJNPHLJLX-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]CCCN)C1 70643362 409435288 /nfs/dbraw/zinc/43/52/88/409435288.db2.gz ZKNDKDJNPHLJLX-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]CCCN)C1 70643361 409435329 /nfs/dbraw/zinc/43/53/29/409435329.db2.gz ZKNDKDJNPHLJLX-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H](CNCCC[NH3+])c1ccccn1 656783012 409449794 /nfs/dbraw/zinc/44/97/94/409449794.db2.gz LSCZHMOKDCQUIZ-SNVBAGLBSA-N 1 3 193.294 1.124 10 0 ADAEHO C[C@H](C[NH2+]CCCN)c1ccccn1 656783012 409449797 /nfs/dbraw/zinc/44/97/97/409449797.db2.gz LSCZHMOKDCQUIZ-SNVBAGLBSA-N 1 3 193.294 1.124 10 0 ADAEHO CCC[C@@H](C)C[NH2+][C@H]1CCNC1 656787958 409449896 /nfs/dbraw/zinc/44/98/96/409449896.db2.gz PGZKLCLIGLRSSM-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO CCC[C@H](C)C[NH2+][C@H]1CCNC1 656787957 409450153 /nfs/dbraw/zinc/45/01/53/409450153.db2.gz PGZKLCLIGLRSSM-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO [NH3+]CCCN1CCC(C2CCC2)CC1 656787169 409450872 /nfs/dbraw/zinc/45/08/72/409450872.db2.gz FDMFIBPCXWISCB-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H](CNCCC[NH3+])c1ccccn1 656783009 409451007 /nfs/dbraw/zinc/45/10/07/409451007.db2.gz LSCZHMOKDCQUIZ-JTQLQIEISA-N 1 3 193.294 1.124 10 0 ADAEHO C[C@@H](C[NH2+]CCCN)c1ccccn1 656783009 409451012 /nfs/dbraw/zinc/45/10/12/409451012.db2.gz LSCZHMOKDCQUIZ-JTQLQIEISA-N 1 3 193.294 1.124 10 0 ADAEHO [NH3+]CCCN1CCC[C@@H](CCF)C1 656792485 409452091 /nfs/dbraw/zinc/45/20/91/409452091.db2.gz RIAZOEIHMIFBJI-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO NCCC[N@@H+]1CCC[C@@H](CCF)C1 656792485 409452095 /nfs/dbraw/zinc/45/20/95/409452095.db2.gz RIAZOEIHMIFBJI-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO NCCC[N@H+]1CCC[C@@H](CCF)C1 656792485 409452099 /nfs/dbraw/zinc/45/20/99/409452099.db2.gz RIAZOEIHMIFBJI-JTQLQIEISA-N 1 3 188.290 1.407 10 0 ADAEHO [NH3+]CCCN1CCC[C@H](CCF)C1 656792488 409452572 /nfs/dbraw/zinc/45/25/72/409452572.db2.gz RIAZOEIHMIFBJI-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO NCCC[N@@H+]1CCC[C@H](CCF)C1 656792488 409452573 /nfs/dbraw/zinc/45/25/73/409452573.db2.gz RIAZOEIHMIFBJI-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO NCCC[N@H+]1CCC[C@H](CCF)C1 656792488 409452578 /nfs/dbraw/zinc/45/25/78/409452578.db2.gz RIAZOEIHMIFBJI-SNVBAGLBSA-N 1 3 188.290 1.407 10 0 ADAEHO CNCCC[N@@H+]1CC[C@H](C(C)C)C1 108297510 409458563 /nfs/dbraw/zinc/45/85/63/409458563.db2.gz SJJUGHFEYVKZHJ-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CNCCC[N@H+]1CC[C@H](C(C)C)C1 108297510 409458566 /nfs/dbraw/zinc/45/85/66/409458566.db2.gz SJJUGHFEYVKZHJ-NSHDSACASA-N 1 3 184.327 1.574 10 0 ADAEHO CNCCC[N@@H+]1CC[C@@H](C(C)C)C1 108297509 409459127 /nfs/dbraw/zinc/45/91/27/409459127.db2.gz SJJUGHFEYVKZHJ-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO CNCCC[N@H+]1CC[C@@H](C(C)C)C1 108297509 409459132 /nfs/dbraw/zinc/45/91/32/409459132.db2.gz SJJUGHFEYVKZHJ-LLVKDONJSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)CCN 117813080 409464659 /nfs/dbraw/zinc/46/46/59/409464659.db2.gz GAZPZQZQCCQQHC-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H]1C[C@H]1C[NH2+]C(C)(C)CCN 117813085 409464801 /nfs/dbraw/zinc/46/48/01/409464801.db2.gz GAZPZQZQCCQQHC-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)CCN 117813083 409464827 /nfs/dbraw/zinc/46/48/27/409464827.db2.gz GAZPZQZQCCQQHC-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)CCN 117813081 409464879 /nfs/dbraw/zinc/46/48/79/409464879.db2.gz GAZPZQZQCCQQHC-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCN 124428891 409469387 /nfs/dbraw/zinc/46/93/87/409469387.db2.gz CLWGYSMMNJILHQ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CC[C@@H](C)[N@H+]1CCCN 124428891 409469390 /nfs/dbraw/zinc/46/93/90/409469390.db2.gz CLWGYSMMNJILHQ-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCN 124429110 409469587 /nfs/dbraw/zinc/46/95/87/409469587.db2.gz CLWGYSMMNJILHQ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CC[C@@H](C)[N@H+]1CCCN 124429110 409469590 /nfs/dbraw/zinc/46/95/90/409469590.db2.gz CLWGYSMMNJILHQ-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CC[C@H](C)[N@@H+]1CCCN 124428680 409470360 /nfs/dbraw/zinc/47/03/60/409470360.db2.gz CLWGYSMMNJILHQ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CC[C@H](C)[N@H+]1CCCN 124428680 409470368 /nfs/dbraw/zinc/47/03/68/409470368.db2.gz CLWGYSMMNJILHQ-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCN 124428451 409471071 /nfs/dbraw/zinc/47/10/71/409471071.db2.gz CLWGYSMMNJILHQ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@H]1CC[C@H](C)[N@H+]1CCCN 124428451 409471076 /nfs/dbraw/zinc/47/10/76/409471076.db2.gz CLWGYSMMNJILHQ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@H](C)CN1CC[C@@H]([NH3+])C1 130829555 409483280 /nfs/dbraw/zinc/48/32/80/409483280.db2.gz DCTLWRVJMPZDLC-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H](C)CN1CC[C@@H]([NH3+])C1 130829771 409483668 /nfs/dbraw/zinc/48/36/68/409483668.db2.gz DCTLWRVJMPZDLC-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H](C[NH2+]C1CCNCC1)C1CC1 132523520 409488133 /nfs/dbraw/zinc/48/81/33/409488133.db2.gz IISQJHPTUCGRLM-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H](C[NH2+]C1CCNCC1)C1CC1 132523324 409488977 /nfs/dbraw/zinc/48/89/77/409488977.db2.gz IISQJHPTUCGRLM-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H](C[NH2+][C@H]1CCCNCC1)C1CC1 132499415 409489312 /nfs/dbraw/zinc/48/93/12/409489312.db2.gz IQAJULNUPDWGPE-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](C[NH2+][C@H]1CCCNCC1)C1CC1 132499240 409489452 /nfs/dbraw/zinc/48/94/52/409489452.db2.gz IQAJULNUPDWGPE-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CCCNCC1)C1CC1 132499025 409489517 /nfs/dbraw/zinc/48/95/17/409489517.db2.gz IQAJULNUPDWGPE-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)C1CC1 132498826 409489829 /nfs/dbraw/zinc/48/98/29/409489829.db2.gz IQAJULNUPDWGPE-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO CN(CCCF)[C@@H]1CCC[NH2+]CC1 213360324 409511872 /nfs/dbraw/zinc/51/18/72/409511872.db2.gz XHNUFSCOSYUUHR-SNVBAGLBSA-N 1 3 188.290 1.420 10 0 ADAEHO C1CCC(CCC[NH2+][C@H]2CCNC2)C1 218786563 409514751 /nfs/dbraw/zinc/51/47/51/409514751.db2.gz XUZQGYZYERPQPV-LBPRGKRZSA-N 1 3 196.338 1.908 10 0 ADAEHO C1CCC(CCC[NH2+][C@@H]2CCNC2)C1 218786493 409515097 /nfs/dbraw/zinc/51/50/97/409515097.db2.gz XUZQGYZYERPQPV-GFCCVEGCSA-N 1 3 196.338 1.908 10 0 ADAEHO CC[C@@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 219854797 409515945 /nfs/dbraw/zinc/51/59/45/409515945.db2.gz PYVKDUHULCRUKH-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)CN(C)C[C@@]1(C)CC[NH2+]C1 219855320 409516540 /nfs/dbraw/zinc/51/65/40/409516540.db2.gz DPOAPVABSMDHEF-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H](C1CC1)N(C)C[C@@]1(C)CC[NH2+]C1 219856645 409516579 /nfs/dbraw/zinc/51/65/79/409516579.db2.gz WUFUEAFRAHKQLJ-PWSUYJOCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C1CC1)N(C)C[C@@]1(C)CC[NH2+]C1 219856592 409516944 /nfs/dbraw/zinc/51/69/44/409516944.db2.gz WUFUEAFRAHKQLJ-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)CN(C)C[C@@]1(C)CC[NH2+]C1 219855365 409517015 /nfs/dbraw/zinc/51/70/15/409517015.db2.gz DPOAPVABSMDHEF-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 219856736 409517071 /nfs/dbraw/zinc/51/70/71/409517071.db2.gz LTGLAWUCOCHTCW-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 219854847 409517632 /nfs/dbraw/zinc/51/76/32/409517632.db2.gz PYVKDUHULCRUKH-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 219856788 409518210 /nfs/dbraw/zinc/51/82/10/409518210.db2.gz LTGLAWUCOCHTCW-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCNC1 300243361 409531925 /nfs/dbraw/zinc/53/19/25/409531925.db2.gz SMMYGFWAWZOERK-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)CC1 300377327 409531956 /nfs/dbraw/zinc/53/19/56/409531956.db2.gz RAVLUQQVFHYFPY-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCNCC1 300377048 409532085 /nfs/dbraw/zinc/53/20/85/409532085.db2.gz FHSXMAFOHTUZHZ-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@H]1N[C@H]1CCC[NH2+]CC1 300377048 409532089 /nfs/dbraw/zinc/53/20/89/409532089.db2.gz FHSXMAFOHTUZHZ-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 300389920 409532138 /nfs/dbraw/zinc/53/21/38/409532138.db2.gz SLOMARPWSAVYDR-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCNCC1 300377052 409532253 /nfs/dbraw/zinc/53/22/53/409532253.db2.gz FHSXMAFOHTUZHZ-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@H]1CCC[NH2+]CC1 300377052 409532255 /nfs/dbraw/zinc/53/22/55/409532255.db2.gz FHSXMAFOHTUZHZ-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H](C)CN1C[C@H](C)[C@H]([NH3+])C1 300050048 409532387 /nfs/dbraw/zinc/53/23/87/409532387.db2.gz WSOWNBVEOUOQEK-LPEHRKFASA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCNC2)C1 300242034 409532473 /nfs/dbraw/zinc/53/24/73/409532473.db2.gz LHWGIUOYLATTTR-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCNC1 300243360 409532530 /nfs/dbraw/zinc/53/25/30/409532530.db2.gz SMMYGFWAWZOERK-MXWKQRLJSA-N 1 3 182.311 1.374 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 300389922 409532557 /nfs/dbraw/zinc/53/25/57/409532557.db2.gz SLOMARPWSAVYDR-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C1CCNCC1 300390285 409532639 /nfs/dbraw/zinc/53/26/39/409532639.db2.gz UEEWTFFEBHRLIB-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC1CC[NH2+]CC1 300390285 409532642 /nfs/dbraw/zinc/53/26/42/409532642.db2.gz UEEWTFFEBHRLIB-KOLCDFICSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@H](C)CN1C[C@H](C)[C@@H]([NH3+])C1 300050046 409532775 /nfs/dbraw/zinc/53/27/75/409532775.db2.gz WSOWNBVEOUOQEK-GUBZILKMSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 300389921 409532844 /nfs/dbraw/zinc/53/28/44/409532844.db2.gz SLOMARPWSAVYDR-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)CC1 300377326 409532924 /nfs/dbraw/zinc/53/29/24/409532924.db2.gz RAVLUQQVFHYFPY-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 300389919 409533317 /nfs/dbraw/zinc/53/33/17/409533317.db2.gz SLOMARPWSAVYDR-KKOKHZNYSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCNCC1 300377050 409533503 /nfs/dbraw/zinc/53/35/03/409533503.db2.gz FHSXMAFOHTUZHZ-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[NH2+]CC1 300377050 409533510 /nfs/dbraw/zinc/53/35/10/409533510.db2.gz FHSXMAFOHTUZHZ-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNC2)C1 300242035 409533628 /nfs/dbraw/zinc/53/36/28/409533628.db2.gz LHWGIUOYLATTTR-VWYCJHECSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)C[C@H](C)CN1C[C@H](C)[C@H]([NH3+])C1 300853664 409535624 /nfs/dbraw/zinc/53/56/24/409535624.db2.gz FPUCCFNEFAUXCR-SDDRHHMPSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)C[C@H](C)CN1C[C@@H](C)[C@@H]([NH3+])C1 300853670 409535651 /nfs/dbraw/zinc/53/56/51/409535651.db2.gz FPUCCFNEFAUXCR-TUAOUCFPSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)C[C@H](C)CN1C[C@H](C)[C@@H]([NH3+])C1 300853668 409538183 /nfs/dbraw/zinc/53/81/83/409538183.db2.gz FPUCCFNEFAUXCR-SRVKXCTJSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN 306208633 409545094 /nfs/dbraw/zinc/54/50/94/409545094.db2.gz KWKXDVIAEWLDPD-RHYQMDGZSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN 306208634 409545746 /nfs/dbraw/zinc/54/57/46/409545746.db2.gz KWKXDVIAEWLDPD-WISYIIOYSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN 306208635 409546702 /nfs/dbraw/zinc/54/67/02/409546702.db2.gz KWKXDVIAEWLDPD-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN 306208632 409547017 /nfs/dbraw/zinc/54/70/17/409547017.db2.gz KWKXDVIAEWLDPD-NOOOWODRSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CC1 306306077 409554504 /nfs/dbraw/zinc/55/45/04/409554504.db2.gz PSFHKNBOIFMDRR-WCABBAIRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CC1 306306078 409555107 /nfs/dbraw/zinc/55/51/07/409555107.db2.gz PSFHKNBOIFMDRR-YWVKMMECSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CC1 306306075 409555728 /nfs/dbraw/zinc/55/57/28/409555728.db2.gz PSFHKNBOIFMDRR-FXPVBKGRSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C1CC1 306306076 409555802 /nfs/dbraw/zinc/55/58/02/409555802.db2.gz PSFHKNBOIFMDRR-KKZNHRDASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1[C@@H](NC[C@@H]2CCCC[NH2+]2)C[C@H]1C 306690227 409582642 /nfs/dbraw/zinc/58/26/42/409582642.db2.gz OWDHRQLRIYWHGU-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)[C@@H]1C 306690229 409582876 /nfs/dbraw/zinc/58/28/76/409582876.db2.gz OWDHRQLRIYWHGU-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1[C@@H](NC[C@H]2CCCC[NH2+]2)C[C@H]1C 306753522 409587031 /nfs/dbraw/zinc/58/70/31/409587031.db2.gz OWDHRQLRIYWHGU-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)[C@@H]1C 306753520 409587800 /nfs/dbraw/zinc/58/78/00/409587800.db2.gz OWDHRQLRIYWHGU-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)[C@@H]1C 306854270 409597401 /nfs/dbraw/zinc/59/74/01/409597401.db2.gz USAYJJQLIWXNEN-WYUUTHIRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@H]2CCCNCC2)C[C@H]1C 306854269 409598584 /nfs/dbraw/zinc/59/85/84/409598584.db2.gz USAYJJQLIWXNEN-RHYQMDGZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNCC2)[C@@H]1C 306854267 409599001 /nfs/dbraw/zinc/59/90/01/409599001.db2.gz USAYJJQLIWXNEN-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCNCC2)C[C@H]1C 306854268 409599245 /nfs/dbraw/zinc/59/92/45/409599245.db2.gz USAYJJQLIWXNEN-KXNHARMFSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2)[C@@H]1C 307041154 409607735 /nfs/dbraw/zinc/60/77/35/409607735.db2.gz RHDPMWZNFFPRGA-WYUUTHIRSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]C[C@H]2CCCNC2)C[C@H]1C 307041153 409609878 /nfs/dbraw/zinc/60/98/78/409609878.db2.gz RHDPMWZNFFPRGA-RHYQMDGZSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@@H]1[C@@H](NC[C@@H]2CC[NH2+]C2)C[C@H]1C 307123950 409616141 /nfs/dbraw/zinc/61/61/41/409616141.db2.gz XZEBMKCLYOXZCA-YTWAJWBKSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H]1C[C@H](NC[C@H]2CC[NH2+]C2)[C@@H]1C 307123951 409616781 /nfs/dbraw/zinc/61/67/81/409616781.db2.gz XZEBMKCLYOXZCA-ZNSHCXBVSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H]1C[C@H](NC[C@@H]2CC[NH2+]C2)[C@@H]1C 307123948 409617222 /nfs/dbraw/zinc/61/72/22/409617222.db2.gz XZEBMKCLYOXZCA-DBIOUOCHSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@@H]1[C@@H](NC[C@H]2CC[NH2+]C2)C[C@H]1C 307123949 409617280 /nfs/dbraw/zinc/61/72/80/409617280.db2.gz XZEBMKCLYOXZCA-RCWTZXSCSA-N 1 3 182.311 1.230 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+](CC2(C)CCC2)C1 307152824 409621130 /nfs/dbraw/zinc/62/11/30/409621130.db2.gz ZDJGFLBWUIHYHP-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+](CC2(C)CCC2)C1 307152824 409621136 /nfs/dbraw/zinc/62/11/36/409621136.db2.gz ZDJGFLBWUIHYHP-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCNC1)[C@H]1CC1(C)C 307130293 409621178 /nfs/dbraw/zinc/62/11/78/409621178.db2.gz YTQLEOMKJPEBAU-LPEHRKFASA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]([NH2+][C@H]1CCNC1)[C@@H]1CC1(C)C 307130291 409621973 /nfs/dbraw/zinc/62/19/73/409621973.db2.gz YTQLEOMKJPEBAU-GUBZILKMSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@H+](CC2(C)CCC2)C1 307152825 409622120 /nfs/dbraw/zinc/62/21/20/409622120.db2.gz ZDJGFLBWUIHYHP-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N)[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 307152825 409622130 /nfs/dbraw/zinc/62/21/30/409622130.db2.gz ZDJGFLBWUIHYHP-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 307205455 409626375 /nfs/dbraw/zinc/62/63/75/409626375.db2.gz JMIDAQWHCXKSAV-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C 307205914 409626415 /nfs/dbraw/zinc/62/64/15/409626415.db2.gz HZDWROPHMZRDKE-ROHXPCBUSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C 307205911 409626461 /nfs/dbraw/zinc/62/64/61/409626461.db2.gz HZDWROPHMZRDKE-IIRVCBMXSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 307205453 409626498 /nfs/dbraw/zinc/62/64/98/409626498.db2.gz JMIDAQWHCXKSAV-CHWFTXMASA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 307205460 409626946 /nfs/dbraw/zinc/62/69/46/409626946.db2.gz JMIDAQWHCXKSAV-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1C[C@@H](C)[C@H]1C 307205915 409627064 /nfs/dbraw/zinc/62/70/64/409627064.db2.gz HZDWROPHMZRDKE-ZIQFBCGOSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 307205457 409627072 /nfs/dbraw/zinc/62/70/72/409627072.db2.gz JMIDAQWHCXKSAV-VPOLOUISSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 307205912 409627261 /nfs/dbraw/zinc/62/72/61/409627261.db2.gz HZDWROPHMZRDKE-OOCWMUITSA-N 1 3 196.338 1.761 10 0 ADAEHO C[C@@H]1CC[C@@H]1N[C@H](C)[C@@H]1CCCC[NH2+]1 307414452 409644020 /nfs/dbraw/zinc/64/40/20/409644020.db2.gz JUIHYXWCJZPHOB-WYUUTHIRSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@@H]1CC[C@@H]1N[C@H](C)[C@H]1CCCC[NH2+]1 307414451 409644449 /nfs/dbraw/zinc/64/44/49/409644449.db2.gz JUIHYXWCJZPHOB-WISYIIOYSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H](N[C@H]1CC[C@H]1C)[C@H]1CCCC[NH2+]1 307414447 409645173 /nfs/dbraw/zinc/64/51/73/409645173.db2.gz JUIHYXWCJZPHOB-NOOOWODRSA-N 1 3 196.338 1.905 10 0 ADAEHO C[C@H](N[C@H]1CC[C@H]1C)[C@@H]1CCCC[NH2+]1 307414448 409645557 /nfs/dbraw/zinc/64/55/57/409645557.db2.gz JUIHYXWCJZPHOB-RHYQMDGZSA-N 1 3 196.338 1.905 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+]CCCN 307668020 409665351 /nfs/dbraw/zinc/66/53/51/409665351.db2.gz JBOVTOMXWLVVPP-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC1([NH3+])CCN(CC2(C)CCC2)CC1 307665596 409666480 /nfs/dbraw/zinc/66/64/80/409666480.db2.gz AZFDJTHDPJNIPZ-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(N)CC[NH+](CC2(C)CCC2)CC1 307665596 409666486 /nfs/dbraw/zinc/66/64/86/409666486.db2.gz AZFDJTHDPJNIPZ-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C)CC[C@H]1[NH2+]CCCN 307668019 409666572 /nfs/dbraw/zinc/66/65/72/409666572.db2.gz JBOVTOMXWLVVPP-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCC1(C)C 307735478 409669843 /nfs/dbraw/zinc/66/98/43/409669843.db2.gz QNKDOHMNPZYHML-GMTAPVOTSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC1(C)C 307735481 409670493 /nfs/dbraw/zinc/67/04/93/409670493.db2.gz QNKDOHMNPZYHML-VWYCJHECSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC1(C)C 307735480 409670753 /nfs/dbraw/zinc/67/07/53/409670753.db2.gz QNKDOHMNPZYHML-OUAUKWLOSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCC1(C)C 307735479 409670760 /nfs/dbraw/zinc/67/07/60/409670760.db2.gz QNKDOHMNPZYHML-MXWKQRLJSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H]1CCC1(C)C 308066796 409681064 /nfs/dbraw/zinc/68/10/64/409681064.db2.gz ZAOJCLAKDJUGHQ-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@H]1CCC1(C)C 308066799 409681409 /nfs/dbraw/zinc/68/14/09/409681409.db2.gz ZAOJCLAKDJUGHQ-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCF 308190083 409695452 /nfs/dbraw/zinc/69/54/52/409695452.db2.gz ITDJGYUDKHKMRE-VHSXEESVSA-N 1 3 188.290 1.453 10 0 ADAEHO NC[C@H]1CCC[C@H]1[NH2+]CCCCF 308190081 409695685 /nfs/dbraw/zinc/69/56/85/409695685.db2.gz ITDJGYUDKHKMRE-NXEZZACHSA-N 1 3 188.290 1.453 10 0 ADAEHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCF 308190084 409696456 /nfs/dbraw/zinc/69/64/56/409696456.db2.gz ITDJGYUDKHKMRE-ZJUUUORDSA-N 1 3 188.290 1.453 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCF 308190082 409697072 /nfs/dbraw/zinc/69/70/72/409697072.db2.gz ITDJGYUDKHKMRE-UWVGGRQHSA-N 1 3 188.290 1.453 10 0 ADAEHO FCCCC[NH2+][C@@H]1CCCNCC1 308213708 409698743 /nfs/dbraw/zinc/69/87/43/409698743.db2.gz XYUOGEGGOBWMFF-SNVBAGLBSA-N 1 3 188.290 1.468 10 0 ADAEHO NC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662244104 409702078 /nfs/dbraw/zinc/70/20/78/409702078.db2.gz BSXWUSDMRCDPNW-YFKTTZPYSA-N 1 3 194.322 1.313 10 0 ADAEHO FCCCC[NH2+][C@H]1CCCNCC1 308213707 409699372 /nfs/dbraw/zinc/69/93/72/409699372.db2.gz XYUOGEGGOBWMFF-JTQLQIEISA-N 1 3 188.290 1.468 10 0 ADAEHO NC[C@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662244103 409700375 /nfs/dbraw/zinc/70/03/75/409700375.db2.gz BSXWUSDMRCDPNW-WISYIIOYSA-N 1 3 194.322 1.313 10 0 ADAEHO NC[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662244103 409700381 /nfs/dbraw/zinc/70/03/81/409700381.db2.gz BSXWUSDMRCDPNW-WISYIIOYSA-N 1 3 194.322 1.313 10 0 ADAEHO CN[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239455 409700808 /nfs/dbraw/zinc/70/08/08/409700808.db2.gz CNEFSPDZPZVSBV-WRWGMCAJSA-N 1 3 194.322 1.326 10 0 ADAEHO CN[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239455 409700815 /nfs/dbraw/zinc/70/08/15/409700815.db2.gz CNEFSPDZPZVSBV-WRWGMCAJSA-N 1 3 194.322 1.326 10 0 ADAEHO NC1CC[NH+](C[C@H]2C[C@@H]3C[C@@H]3C2)CC1 662241281 409701562 /nfs/dbraw/zinc/70/15/62/409701562.db2.gz RROQGHZKFLCZEB-JGPRNRPPSA-N 1 3 194.322 1.456 10 0 ADAEHO [NH3+]C1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)CC1 662241281 409701570 /nfs/dbraw/zinc/70/15/70/409701570.db2.gz RROQGHZKFLCZEB-JGPRNRPPSA-N 1 3 194.322 1.456 10 0 ADAEHO C[NH2+]C1CCN(CC2CC=CC2)CC1 662243764 409701578 /nfs/dbraw/zinc/70/15/78/409701578.db2.gz JZDOAMJWOGHEHD-UHFFFAOYSA-N 1 3 194.322 1.636 10 0 ADAEHO CNC1CC[NH+](CC2CC=CC2)CC1 662243764 409701580 /nfs/dbraw/zinc/70/15/80/409701580.db2.gz JZDOAMJWOGHEHD-UHFFFAOYSA-N 1 3 194.322 1.636 10 0 ADAEHO NC[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662244104 409702071 /nfs/dbraw/zinc/70/20/71/409702071.db2.gz BSXWUSDMRCDPNW-YFKTTZPYSA-N 1 3 194.322 1.313 10 0 ADAEHO CC(C)=CCC[N@H+](C)CCCN 662243500 409703372 /nfs/dbraw/zinc/70/33/72/409703372.db2.gz DACKSWKNCOQBPH-UHFFFAOYSA-N 1 3 170.300 1.623 10 0 ADAEHO CN[C@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239454 409702480 /nfs/dbraw/zinc/70/24/80/409702480.db2.gz CNEFSPDZPZVSBV-USZNOCQGSA-N 1 3 194.322 1.326 10 0 ADAEHO CN[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239454 409702482 /nfs/dbraw/zinc/70/24/82/409702482.db2.gz CNEFSPDZPZVSBV-USZNOCQGSA-N 1 3 194.322 1.326 10 0 ADAEHO CC(C)=CCCN(C)CCC[NH3+] 662243500 409703363 /nfs/dbraw/zinc/70/33/63/409703363.db2.gz DACKSWKNCOQBPH-UHFFFAOYSA-N 1 3 170.300 1.623 10 0 ADAEHO CC(C)=CCC[N@@H+](C)CCCN 662243500 409703374 /nfs/dbraw/zinc/70/33/74/409703374.db2.gz DACKSWKNCOQBPH-UHFFFAOYSA-N 1 3 170.300 1.623 10 0 ADAEHO C[C@@H]1CN(C[C@H]2C[C@@H]3C[C@@H]3C2)C[C@@H]1[NH3+] 662275614 409705672 /nfs/dbraw/zinc/70/56/72/409705672.db2.gz CYWMTMYOMZOUHP-ZIQFBCGOSA-N 1 3 194.322 1.312 10 0 ADAEHO C(C[NH2+][C@H]1CCNC1)CC1CCC1 662263396 409707426 /nfs/dbraw/zinc/70/74/26/409707426.db2.gz AMZXWYKKEADZBP-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO C(C[NH2+][C@@H]1CCNC1)CC1CCC1 662263394 409707506 /nfs/dbraw/zinc/70/75/06/409707506.db2.gz AMZXWYKKEADZBP-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO [NH3+]C[C@@H]1CCCN1CCCC1CCC1 662247411 409707853 /nfs/dbraw/zinc/70/78/53/409707853.db2.gz ZYCZGMRTOSXACQ-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CN(C[C@H]1C[C@@H]2C[C@@H]2C1)C1CC([NH3+])C1 662273012 409707910 /nfs/dbraw/zinc/70/79/10/409707910.db2.gz JJOXUNACFZYPNU-BWIOIVMUSA-N 1 3 194.322 1.454 10 0 ADAEHO CNCCC[N@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 662279914 409711611 /nfs/dbraw/zinc/71/16/11/409711611.db2.gz AQPDVDLVPSAJDI-ZSBIGDGJSA-N 1 3 196.338 1.574 10 0 ADAEHO CNCCC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 662279914 409711616 /nfs/dbraw/zinc/71/16/16/409711616.db2.gz AQPDVDLVPSAJDI-ZSBIGDGJSA-N 1 3 196.338 1.574 10 0 ADAEHO C[NH2+]CCCN(C)C[C@H]1C[C@@H]2C[C@@H]2C1 662279914 409711622 /nfs/dbraw/zinc/71/16/22/409711622.db2.gz AQPDVDLVPSAJDI-ZSBIGDGJSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1C[C@@H]2C[C@@H]2C1 662277300 409712173 /nfs/dbraw/zinc/71/21/73/409712173.db2.gz PNRACODGOGTSNN-SVNGYHJRSA-N 1 3 194.322 1.454 10 0 ADAEHO NCCC[N@@H+]1CCC[C@@H](C2CCC2)C1 662317430 409715286 /nfs/dbraw/zinc/71/52/86/409715286.db2.gz PDAYXIYUIXKQFY-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO NCCC[N@H+]1CCC[C@@H](C2CCC2)C1 662317430 409715295 /nfs/dbraw/zinc/71/52/95/409715295.db2.gz PDAYXIYUIXKQFY-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+]CCCN1CCC[C@@H](C2CCC2)C1 662317430 409715305 /nfs/dbraw/zinc/71/53/05/409715305.db2.gz PDAYXIYUIXKQFY-GFCCVEGCSA-N 1 3 196.338 1.847 10 0 ADAEHO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCN 662320885 409715636 /nfs/dbraw/zinc/71/56/36/409715636.db2.gz XYARIXPCVGCKOX-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H]1CCC[C@H](C)[N@H+]1CCCN 662320885 409715648 /nfs/dbraw/zinc/71/56/48/409715648.db2.gz XYARIXPCVGCKOX-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO [NH3+]CC12CC(CN1CCC1CCC1)C2 662307105 409716776 /nfs/dbraw/zinc/71/67/76/409716776.db2.gz WDDGRGIOPHKDAY-UHFFFAOYSA-N 1 3 194.322 1.600 10 0 ADAEHO CC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCN 662320531 409717244 /nfs/dbraw/zinc/71/72/44/409717244.db2.gz UYPAFFOFFIFZKI-FGWVZKOKSA-N 1 3 182.311 1.598 10 0 ADAEHO NCCC[N@@H+]1CCC[C@H](C2CCC2)C1 662317431 409717283 /nfs/dbraw/zinc/71/72/83/409717283.db2.gz PDAYXIYUIXKQFY-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO NCCC[N@H+]1CCC[C@H](C2CCC2)C1 662317431 409717289 /nfs/dbraw/zinc/71/72/89/409717289.db2.gz PDAYXIYUIXKQFY-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+]CCCN1CCC[C@H](C2CCC2)C1 662317431 409717293 /nfs/dbraw/zinc/71/72/93/409717293.db2.gz PDAYXIYUIXKQFY-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO CC(C)CCN1CC2CC1(C[NH3+])C2 662308658 409717475 /nfs/dbraw/zinc/71/74/75/409717475.db2.gz XRVUUNHZELCIQD-UHFFFAOYSA-N 1 3 182.311 1.456 10 0 ADAEHO CCCCCN1CC2CC1(C[NH3+])C2 662308541 409717988 /nfs/dbraw/zinc/71/79/88/409717988.db2.gz VWQZUMPWISXDGA-UHFFFAOYSA-N 1 3 182.311 1.600 10 0 ADAEHO CCCCN1CC2CC1(C[NH3+])C2 662306528 409718184 /nfs/dbraw/zinc/71/81/84/409718184.db2.gz AVJFYRFRPGNFLF-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CC12CC(CN1C[C@H]1CC[NH2+]C1)C2 662337070 409719453 /nfs/dbraw/zinc/71/94/53/409719453.db2.gz JBUMQCJPCKOXBQ-WHXUTIOJSA-N 1 3 180.295 1.080 10 0 ADAEHO CCN(CCC[NH2+]C)C1CCC1 308397689 409719800 /nfs/dbraw/zinc/71/98/00/409719800.db2.gz GBCWGLGTDFRGJO-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[N@H+](CCCNC)C1CCC1 308397689 409719806 /nfs/dbraw/zinc/71/98/06/409719806.db2.gz GBCWGLGTDFRGJO-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC[N@@H+](CCCNC)C1CCC1 308397689 409719814 /nfs/dbraw/zinc/71/98/14/409719814.db2.gz GBCWGLGTDFRGJO-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO C[NH2+]CCCN1CC2CC1(C)C2 662338452 409720820 /nfs/dbraw/zinc/72/08/20/409720820.db2.gz RMXQEQBJZZCCOT-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CC12CC(CN1C[C@@H]1CC[NH2+]C1)C2 662337069 409721444 /nfs/dbraw/zinc/72/14/44/409721444.db2.gz JBUMQCJPCKOXBQ-KPPDAEKUSA-N 1 3 180.295 1.080 10 0 ADAEHO NCCC[NH2+]C(C1CCC1)C1CCC1 308495017 409726007 /nfs/dbraw/zinc/72/60/07/409726007.db2.gz SNBGVCCQLNUCRK-UHFFFAOYSA-N 1 3 196.338 1.894 10 0 ADAEHO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCN 308556998 409733358 /nfs/dbraw/zinc/73/33/58/409733358.db2.gz ZWKYMTMWCBQEDE-GHMZBOCLSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCN 308556999 409733498 /nfs/dbraw/zinc/73/34/98/409733498.db2.gz ZWKYMTMWCBQEDE-MNOVXSKESA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCN 308557001 409733580 /nfs/dbraw/zinc/73/35/80/409733580.db2.gz ZWKYMTMWCBQEDE-WDEREUQCSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCN 308557000 409734558 /nfs/dbraw/zinc/73/45/58/409734558.db2.gz ZWKYMTMWCBQEDE-QWRGUYRKSA-N 1 3 184.327 1.750 10 0 ADAEHO CCCC[C@H](COC)NCCC[NH3+] 308579457 409736629 /nfs/dbraw/zinc/73/66/29/409736629.db2.gz OJFFVIXHEMBIHX-SNVBAGLBSA-N 1 3 188.315 1.130 10 0 ADAEHO CCCC[C@H](COC)[NH2+]CCCN 308579457 409736633 /nfs/dbraw/zinc/73/66/33/409736633.db2.gz OJFFVIXHEMBIHX-SNVBAGLBSA-N 1 3 188.315 1.130 10 0 ADAEHO CCCC[C@@H](COC)NCCC[NH3+] 308579456 409737002 /nfs/dbraw/zinc/73/70/02/409737002.db2.gz OJFFVIXHEMBIHX-JTQLQIEISA-N 1 3 188.315 1.130 10 0 ADAEHO CCCC[C@@H](COC)[NH2+]CCCN 308579456 409737009 /nfs/dbraw/zinc/73/70/09/409737009.db2.gz OJFFVIXHEMBIHX-JTQLQIEISA-N 1 3 188.315 1.130 10 0 ADAEHO C[C@H](C[NH2+]CC1(C)CCC1)CN(C)C 308584660 409737290 /nfs/dbraw/zinc/73/72/90/409737290.db2.gz RDRJUCTZCLRMPW-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@@H](C[NH2+]CC1(C)CCC1)CN(C)C 308584661 409737368 /nfs/dbraw/zinc/73/73/68/409737368.db2.gz RDRJUCTZCLRMPW-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCC(C)(C)CCN1CC[C@@H]([NH3+])C1 308675333 409750505 /nfs/dbraw/zinc/75/05/05/409750505.db2.gz WBJQNTYJCMEUBV-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C[C@]1(C)CC[NH2+]C1)C1CCC1 309069442 409766922 /nfs/dbraw/zinc/76/69/22/409766922.db2.gz BYSJEHIBQPSYNF-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(C[C@@]1(C)CC[NH2+]C1)C1CCC1 309069443 409767613 /nfs/dbraw/zinc/76/76/13/409767613.db2.gz BYSJEHIBQPSYNF-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)(C)CCC[NH2+][C@H]1CCNC1 313259088 409777652 /nfs/dbraw/zinc/77/76/52/409777652.db2.gz YGHGOMREBZDOAR-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)(C)CCC[NH2+][C@@H]1CCNC1 313259089 409778692 /nfs/dbraw/zinc/77/86/92/409778692.db2.gz YGHGOMREBZDOAR-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CCC[C@H](CC)[NH2+]CC12CC(CN1)C2 663499614 409784016 /nfs/dbraw/zinc/78/40/16/409784016.db2.gz ZHLCBLJAJCRBHU-CXQJBGSLSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@H](CC)NCC12CC(C[NH2+]1)C2 663499614 409784024 /nfs/dbraw/zinc/78/40/24/409784024.db2.gz ZHLCBLJAJCRBHU-CXQJBGSLSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1CC([NH2+]CC23CC(CN2)C3)C1 663499024 409784159 /nfs/dbraw/zinc/78/41/59/409784159.db2.gz VKEGVHXGCWVQLJ-UHFFFAOYSA-N 1 3 180.295 1.127 10 0 ADAEHO C1CCC([NH2+]CC23CC(CN2)C3)C1 663499584 409784180 /nfs/dbraw/zinc/78/41/80/409784180.db2.gz YWXPKSAYUOYBBH-UHFFFAOYSA-N 1 3 180.295 1.271 10 0 ADAEHO CCCC[C@@H](C)[NH2+]CC12CC(CN1)C2 663497077 409784223 /nfs/dbraw/zinc/78/42/23/409784223.db2.gz BCRQQGIJBNZJNP-VOMCLLRMSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H](C)[NH2+]CC12CC(CN1)C2 663497368 409784241 /nfs/dbraw/zinc/78/42/41/409784241.db2.gz FXFBAPCIEBOLHX-KPPDAEKUSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H]1CC[C@H](NCC23CC(C[NH2+]2)C3)C1 663497338 409784282 /nfs/dbraw/zinc/78/42/82/409784282.db2.gz FAIXKUFAWCITJH-VOBJUBJWSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]CC23CC(CN2)C3)C1 663497338 409784291 /nfs/dbraw/zinc/78/42/91/409784291.db2.gz FAIXKUFAWCITJH-VOBJUBJWSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1CC[C@@H](NCC23CC(C[NH2+]2)C3)C1 663497337 409784305 /nfs/dbraw/zinc/78/43/05/409784305.db2.gz FAIXKUFAWCITJH-UZEXVOJHSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]CC23CC(CN2)C3)C1 663497337 409784312 /nfs/dbraw/zinc/78/43/12/409784312.db2.gz FAIXKUFAWCITJH-UZEXVOJHSA-N 1 3 194.322 1.517 10 0 ADAEHO NCCC[N@H+](CCC1CC1)CC1CC1 663502927 409784526 /nfs/dbraw/zinc/78/45/26/409784526.db2.gz JASYZCVEWOIKMD-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO NCCC[N@@H+](CCC1CC1)CC1CC1 663502927 409784535 /nfs/dbraw/zinc/78/45/35/409784535.db2.gz JASYZCVEWOIKMD-UHFFFAOYSA-N 1 3 196.338 1.847 10 0 ADAEHO C[C@@H]1CCC[C@H]1[NH2+]CC12CC(CN1)C2 663497087 409784611 /nfs/dbraw/zinc/78/46/11/409784611.db2.gz BIMCIBGGNARVDG-QTAHKJALSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCC[C@H]1NCC12CC(C[NH2+]1)C2 663497087 409784618 /nfs/dbraw/zinc/78/46/18/409784618.db2.gz BIMCIBGGNARVDG-QTAHKJALSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH2+]CC12CC(CN1)C2 663497089 409784637 /nfs/dbraw/zinc/78/46/37/409784637.db2.gz BIMCIBGGNARVDG-VOBJUBJWSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1CCC[C@@H]1NCC12CC(C[NH2+]1)C2 663497089 409784645 /nfs/dbraw/zinc/78/46/45/409784645.db2.gz BIMCIBGGNARVDG-VOBJUBJWSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H](NCC23CC(C[NH2+]2)C3)C1 663497336 409784782 /nfs/dbraw/zinc/78/47/82/409784782.db2.gz FAIXKUFAWCITJH-QTAHKJALSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]CC23CC(CN2)C3)C1 663497336 409784789 /nfs/dbraw/zinc/78/47/89/409784789.db2.gz FAIXKUFAWCITJH-QTAHKJALSA-N 1 3 194.322 1.517 10 0 ADAEHO C1CCC([NH2+]CC23CC(CN2)C3)CC1 663497091 409784839 /nfs/dbraw/zinc/78/48/39/409784839.db2.gz BNTIDDLCMKDSBB-UHFFFAOYSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CCC(NCC23CC(C[NH2+]2)C3)CC1 663497091 409784845 /nfs/dbraw/zinc/78/48/45/409784845.db2.gz BNTIDDLCMKDSBB-UHFFFAOYSA-N 1 3 194.322 1.661 10 0 ADAEHO CCC[C@H](C)[NH2+]CC12CC(CN1)C2 663497369 409784953 /nfs/dbraw/zinc/78/49/53/409784953.db2.gz FXFBAPCIEBOLHX-WHXUTIOJSA-N 1 3 182.311 1.517 10 0 ADAEHO CCC[C@H](C)CNCC12CC(C[NH2+]1)C2 663499667 409785059 /nfs/dbraw/zinc/78/50/59/409785059.db2.gz ZWXJURWFFXGEPR-UNXYVOJBSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@H](C)C[NH2+]CC12CC(CN1)C2 663499667 409785065 /nfs/dbraw/zinc/78/50/65/409785065.db2.gz ZWXJURWFFXGEPR-UNXYVOJBSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@]1(CN2CC[C@H]3C[C@H]3C2)CC[NH2+]C1 663500638 409785187 /nfs/dbraw/zinc/78/51/87/409785187.db2.gz MEOPYSZBIROLBS-SRVKXCTJSA-N 1 3 194.322 1.328 10 0 ADAEHO CCC[C@@H](C)CNCC12CC(C[NH2+]1)C2 663499669 409785431 /nfs/dbraw/zinc/78/54/31/409785431.db2.gz ZWXJURWFFXGEPR-VOMCLLRMSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H](C)C[NH2+]CC12CC(CN1)C2 663499669 409785440 /nfs/dbraw/zinc/78/54/40/409785440.db2.gz ZWXJURWFFXGEPR-VOMCLLRMSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1CC[C@H](NCC23CC(C[NH2+]2)C3)C1 663497339 409785607 /nfs/dbraw/zinc/78/56/07/409785607.db2.gz FAIXKUFAWCITJH-ZYGVAYEYSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+]CC23CC(CN2)C3)C1 663497339 409785614 /nfs/dbraw/zinc/78/56/14/409785614.db2.gz FAIXKUFAWCITJH-ZYGVAYEYSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H](CC1CC1)[NH2+]CC12CC(CN1)C2 663499600 409785671 /nfs/dbraw/zinc/78/56/71/409785671.db2.gz ZBTMRTHUDIAGAH-GCVQQVDUSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H](C)CNCC12CC(C[NH2+]1)C2 663499076 409785806 /nfs/dbraw/zinc/78/58/06/409785806.db2.gz AAXYRFARRCMWHC-KPPDAEKUSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@@H](C)C[NH2+]CC12CC(CN1)C2 663499076 409785811 /nfs/dbraw/zinc/78/58/11/409785811.db2.gz AAXYRFARRCMWHC-KPPDAEKUSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CCC[C@H]1[NH2+]CC12CC(CN1)C2 663497088 409785829 /nfs/dbraw/zinc/78/58/29/409785829.db2.gz BIMCIBGGNARVDG-UZEXVOJHSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]1CCC[C@H]1NCC12CC(C[NH2+]1)C2 663497088 409785837 /nfs/dbraw/zinc/78/58/37/409785837.db2.gz BIMCIBGGNARVDG-UZEXVOJHSA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]CC12CC(CN1)C2 663498343 409785912 /nfs/dbraw/zinc/78/59/12/409785912.db2.gz PAGPYDQRKXMDRV-VOMCLLRMSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)(C)CC[NH2+]CC12CC(CN1)C2 663499922 409785939 /nfs/dbraw/zinc/78/59/39/409785939.db2.gz GDSJUUMZKUBQBJ-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]CC12CC(CN1)C2 663498341 409785961 /nfs/dbraw/zinc/78/59/61/409785961.db2.gz PAGPYDQRKXMDRV-UNXYVOJBSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1(C[NH2+]CC23CC(CN2)C3)CC1 663501945 409786023 /nfs/dbraw/zinc/78/60/23/409786023.db2.gz ZYHYOXCLWHEFJS-UHFFFAOYSA-N 1 3 180.295 1.128 10 0 ADAEHO CCCC[C@H](C)[NH2+]CC12CC(CN1)C2 663497076 409786048 /nfs/dbraw/zinc/78/60/48/409786048.db2.gz BCRQQGIJBNZJNP-UNXYVOJBSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[NH2+]CC12CC(CN1)C2 663497090 409786195 /nfs/dbraw/zinc/78/61/95/409786195.db2.gz BIMCIBGGNARVDG-ZYGVAYEYSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1CCC[C@@H]1NCC12CC(C[NH2+]1)C2 663497090 409786201 /nfs/dbraw/zinc/78/62/01/409786201.db2.gz BIMCIBGGNARVDG-ZYGVAYEYSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H]([NH2+]CC12CC(CN1)C2)C1CCC1 663501278 409786219 /nfs/dbraw/zinc/78/62/19/409786219.db2.gz UMRPTIBCOHLELG-BMQDGWLCSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@H](NCC12CC(C[NH2+]1)C2)C1CCC1 663501278 409786225 /nfs/dbraw/zinc/78/62/25/409786225.db2.gz UMRPTIBCOHLELG-BMQDGWLCSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H](C)CNCC12CC(C[NH2+]1)C2 663499077 409786241 /nfs/dbraw/zinc/78/62/41/409786241.db2.gz AAXYRFARRCMWHC-WHXUTIOJSA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H](C)C[NH2+]CC12CC(CN1)C2 663499077 409786243 /nfs/dbraw/zinc/78/62/43/409786243.db2.gz AAXYRFARRCMWHC-WHXUTIOJSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@]1(CN2CC[C@@H]3C[C@@H]3C2)CC[NH2+]C1 663500640 409786289 /nfs/dbraw/zinc/78/62/89/409786289.db2.gz MEOPYSZBIROLBS-UTUOFQBUSA-N 1 3 194.322 1.328 10 0 ADAEHO CCC[C@@H](CC)[NH2+]CC12CC(CN1)C2 663499616 409786388 /nfs/dbraw/zinc/78/63/88/409786388.db2.gz ZHLCBLJAJCRBHU-MOENNCHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H](CC)NCC12CC(C[NH2+]1)C2 663499616 409786393 /nfs/dbraw/zinc/78/63/93/409786393.db2.gz ZHLCBLJAJCRBHU-MOENNCHZSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC(C)(C)C[NH2+]CC12CC(CN1)C2 663502582 409786411 /nfs/dbraw/zinc/78/64/11/409786411.db2.gz VOWKSHCYVVCYQW-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](CC1CC1)[NH2+]CC12CC(CN1)C2 663499602 409786438 /nfs/dbraw/zinc/78/64/38/409786438.db2.gz ZBTMRTHUDIAGAH-OIKLOGQESA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)CCC[NH2+]CC12CC(CN1)C2 663499188 409786483 /nfs/dbraw/zinc/78/64/83/409786483.db2.gz BTQOHOGTYZPXCN-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]([NH2+]CC12CC(CN1)C2)C1CCC1 663501279 409786516 /nfs/dbraw/zinc/78/65/16/409786516.db2.gz UMRPTIBCOHLELG-GRZMOONWSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H](NCC12CC(C[NH2+]1)C2)C1CCC1 663501279 409786522 /nfs/dbraw/zinc/78/65/22/409786522.db2.gz UMRPTIBCOHLELG-GRZMOONWSA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)(C)C[NH2+]CC12CC(CN1)C2 663501995 409786798 /nfs/dbraw/zinc/78/67/98/409786798.db2.gz NGMVCXPMIGBSOU-UHFFFAOYSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C[NH2+]CC23CC(CN2)C3)CCC1 663501281 409786850 /nfs/dbraw/zinc/78/68/50/409786850.db2.gz UNLZXAKJYTXGQK-UHFFFAOYSA-N 1 3 194.322 1.518 10 0 ADAEHO CCC(CC)C[NH2+]CC12CC(CN1)C2 663499067 409786863 /nfs/dbraw/zinc/78/68/63/409786863.db2.gz WFPAUUFYNJAQHG-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC(CC)CNCC12CC(C[NH2+]1)C2 663499067 409786870 /nfs/dbraw/zinc/78/68/70/409786870.db2.gz WFPAUUFYNJAQHG-UHFFFAOYSA-N 1 3 196.338 1.764 10 0 ADAEHO C[NH2+]C[C@H](C)NCC1(C)CCC1 663515074 409793367 /nfs/dbraw/zinc/79/33/67/409793367.db2.gz ZMZXTPMLAUFENL-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO C[NH2+]C[C@@H](C)NCC1(C)CCC1 663515073 409793532 /nfs/dbraw/zinc/79/35/32/409793532.db2.gz ZMZXTPMLAUFENL-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H]([NH2+]C[C@H](C)CN)C(C)(C)C 379317144 409821839 /nfs/dbraw/zinc/82/18/39/409821839.db2.gz DKCUQRKDSWVDJR-BDAKNGLRSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)C(C)(C)C 379317147 409823197 /nfs/dbraw/zinc/82/31/97/409823197.db2.gz DKCUQRKDSWVDJR-RKDXNWHRSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H](C)C(C)(C)C 379317146 409823931 /nfs/dbraw/zinc/82/39/31/409823931.db2.gz DKCUQRKDSWVDJR-IUCAKERBSA-N 1 3 172.316 1.605 10 0 ADAEHO CCCCCN1CC[C@H]([NH3+])[C@@H]1C 379319809 409823978 /nfs/dbraw/zinc/82/39/78/409823978.db2.gz SLXKLWOOHPPEKE-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@H](C)C(C)(C)C 379317145 409824264 /nfs/dbraw/zinc/82/42/64/409824264.db2.gz DKCUQRKDSWVDJR-DTWKUNHWSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCNC1)[C@H]1CC1(C)C 665242457 409855714 /nfs/dbraw/zinc/85/57/14/409855714.db2.gz YTQLEOMKJPEBAU-KXUCPTDWSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[C@@H](C)CC[NH2+][C@H]1CCNC1 665237532 409851793 /nfs/dbraw/zinc/85/17/93/409851793.db2.gz CUDURUDYOSSMCF-ZJUUUORDSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@H](C)CC[NH2+][C@H]1CCNC1 665237530 409852383 /nfs/dbraw/zinc/85/23/83/409852383.db2.gz CUDURUDYOSSMCF-UWVGGRQHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@H](C)CC[NH2+][C@@H]1CCNC1 665237531 409853184 /nfs/dbraw/zinc/85/31/84/409853184.db2.gz CUDURUDYOSSMCF-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@@H](C)CC[NH2+][C@@H]1CCNC1 665237529 409854493 /nfs/dbraw/zinc/85/44/93/409854493.db2.gz CUDURUDYOSSMCF-NXEZZACHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CCC1(C)C)CN(C)C 379618283 409855514 /nfs/dbraw/zinc/85/55/14/409855514.db2.gz BEWNUVHNBUHIPH-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](C[NH2+][C@H]1CCC1(C)C)CN(C)C 379618284 409856019 /nfs/dbraw/zinc/85/60/19/409856019.db2.gz BEWNUVHNBUHIPH-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CCNC1 665241360 409856295 /nfs/dbraw/zinc/85/62/95/409856295.db2.gz JXQFJWRPXAYRAP-DCAQKATOSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1CCNC1 665241690 409856322 /nfs/dbraw/zinc/85/63/22/409856322.db2.gz WFEYRICQTVRNQD-KXNHARMFSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)CN(C)C 379618286 409856510 /nfs/dbraw/zinc/85/65/10/409856510.db2.gz BEWNUVHNBUHIPH-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@H]1CCNC1 665241361 409856723 /nfs/dbraw/zinc/85/67/23/409856723.db2.gz JXQFJWRPXAYRAP-GARJFASQSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](C)CC[NH2+]C1CCNCC1 665238169 409856918 /nfs/dbraw/zinc/85/69/18/409856918.db2.gz SGQSEZIYEFAJRD-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H](C[NH2+][C@H]1CCC1(C)C)CN(C)C 379618285 409856919 /nfs/dbraw/zinc/85/69/19/409856919.db2.gz BEWNUVHNBUHIPH-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C)CC[NH2+]C1CCNCC1 665238170 409857641 /nfs/dbraw/zinc/85/76/41/409857641.db2.gz SGQSEZIYEFAJRD-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CCNC1)[C@@H]1CC1(C)C 665242458 409858295 /nfs/dbraw/zinc/85/82/95/409858295.db2.gz YTQLEOMKJPEBAU-UTLUCORTSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@H]1CCNC1 665241691 409858403 /nfs/dbraw/zinc/85/84/03/409858403.db2.gz WFEYRICQTVRNQD-RHYQMDGZSA-N 1 3 194.322 1.517 10 0 ADAEHO CO[C@H](C)C[N@H+](C[C@@H](C)N)C(C)C 379622051 409858846 /nfs/dbraw/zinc/85/88/46/409858846.db2.gz GNFVDMCVHPSECN-NXEZZACHSA-N 1 3 188.315 1.079 10 0 ADAEHO CO[C@H](C)C[N@@H+](C[C@@H](C)N)C(C)C 379622051 409858853 /nfs/dbraw/zinc/85/88/53/409858853.db2.gz GNFVDMCVHPSECN-NXEZZACHSA-N 1 3 188.315 1.079 10 0 ADAEHO CO[C@H](C)C[N@H+](C[C@H](C)N)C(C)C 379622053 409859273 /nfs/dbraw/zinc/85/92/73/409859273.db2.gz GNFVDMCVHPSECN-VHSXEESVSA-N 1 3 188.315 1.079 10 0 ADAEHO CO[C@H](C)C[N@@H+](C[C@H](C)N)C(C)C 379622053 409859277 /nfs/dbraw/zinc/85/92/77/409859277.db2.gz GNFVDMCVHPSECN-VHSXEESVSA-N 1 3 188.315 1.079 10 0 ADAEHO CO[C@@H](C)C[N@H+](C[C@@H](C)N)C(C)C 379622054 409859958 /nfs/dbraw/zinc/85/99/58/409859958.db2.gz GNFVDMCVHPSECN-ZJUUUORDSA-N 1 3 188.315 1.079 10 0 ADAEHO CO[C@@H](C)C[N@@H+](C[C@@H](C)N)C(C)C 379622054 409859967 /nfs/dbraw/zinc/85/99/67/409859967.db2.gz GNFVDMCVHPSECN-ZJUUUORDSA-N 1 3 188.315 1.079 10 0 ADAEHO C1C[C@H](C[NH2+][C@@H]2CCNC2)[C@@H]2C[C@@H]2C1 665263007 409860130 /nfs/dbraw/zinc/86/01/30/409860130.db2.gz DPYUIFFGWFCCOF-IRCOFANPSA-N 1 3 194.322 1.374 10 0 ADAEHO CO[C@@H](C)C[N@H+](C[C@H](C)N)C(C)C 379622052 409860779 /nfs/dbraw/zinc/86/07/79/409860779.db2.gz GNFVDMCVHPSECN-UWVGGRQHSA-N 1 3 188.315 1.079 10 0 ADAEHO CO[C@@H](C)C[N@@H+](C[C@H](C)N)C(C)C 379622052 409860785 /nfs/dbraw/zinc/86/07/85/409860785.db2.gz GNFVDMCVHPSECN-UWVGGRQHSA-N 1 3 188.315 1.079 10 0 ADAEHO c1cc(CCNC2CC[NH2+]CC2)co1 665262962 409860852 /nfs/dbraw/zinc/86/08/52/409860852.db2.gz CUIQSQSIGBJWSG-UHFFFAOYSA-N 1 3 194.278 1.164 10 0 ADAEHO c1cc(CC[NH2+]C2CCNCC2)co1 665262962 409860855 /nfs/dbraw/zinc/86/08/55/409860855.db2.gz CUIQSQSIGBJWSG-UHFFFAOYSA-N 1 3 194.278 1.164 10 0 ADAEHO C1C[C@H](C[NH2+][C@@H]2CCNC2)[C@H]2C[C@H]2C1 665263008 409861901 /nfs/dbraw/zinc/86/19/01/409861901.db2.gz DPYUIFFGWFCCOF-KKOKHZNYSA-N 1 3 194.322 1.374 10 0 ADAEHO C(C[NH2+]C1CCNCC1)CC1CCC1 665266653 409862649 /nfs/dbraw/zinc/86/26/49/409862649.db2.gz GVMPRPBXBZYKEC-UHFFFAOYSA-N 1 3 196.338 1.908 10 0 ADAEHO CC(C)(F)CC[NH2+]C1CCNCC1 665261395 409862787 /nfs/dbraw/zinc/86/27/87/409862787.db2.gz BCFCVHGLHPHILK-UHFFFAOYSA-N 1 3 188.290 1.466 10 0 ADAEHO CC(C)(F)CCNC1CC[NH2+]CC1 665261395 409862796 /nfs/dbraw/zinc/86/27/96/409862796.db2.gz BCFCVHGLHPHILK-UHFFFAOYSA-N 1 3 188.290 1.466 10 0 ADAEHO C[C@H](NCC1=CCCC1)[C@@H]1CC[NH2+]C1 665273930 409863635 /nfs/dbraw/zinc/86/36/35/409863635.db2.gz GSGQADCQYLVFQD-CMPLNLGQSA-N 1 3 194.322 1.684 10 0 ADAEHO CC[C@H]([NH2+]CC12CC(CN1)C2)C(C)C 665276992 409863724 /nfs/dbraw/zinc/86/37/24/409863724.db2.gz QVROTPYHXHHBGO-CXQJBGSLSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](NCC12CC(C[NH2+]1)C2)C(C)C 665276992 409863732 /nfs/dbraw/zinc/86/37/32/409863732.db2.gz QVROTPYHXHHBGO-CXQJBGSLSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](NCC1=CCCC1)[C@H]1CC[NH2+]C1 665273931 409864337 /nfs/dbraw/zinc/86/43/37/409864337.db2.gz GSGQADCQYLVFQD-JQWIXIFHSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@@H](NCC1=CCCC1)[C@H]1CC[NH2+]C1 665273932 409864438 /nfs/dbraw/zinc/86/44/38/409864438.db2.gz GSGQADCQYLVFQD-PWSUYJOCSA-N 1 3 194.322 1.684 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+]CC12CC(CN1)C2 665276462 409864485 /nfs/dbraw/zinc/86/44/85/409864485.db2.gz CXUUVQLLYSUOKS-JYBOHDQNSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](C)[C@H](C)NCC12CC(C[NH2+]1)C2 665276462 409864491 /nfs/dbraw/zinc/86/44/91/409864491.db2.gz CXUUVQLLYSUOKS-JYBOHDQNSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]CC12CC(CN1)C2)C1CC1 665276950 409864984 /nfs/dbraw/zinc/86/49/84/409864984.db2.gz PQQAWIOOGGGFJX-SILCLGDVSA-N 1 3 180.295 1.127 10 0 ADAEHO CC[C@@H]([NH2+]CC12CC(CN1)C2)C(C)C 665276993 409865075 /nfs/dbraw/zinc/86/50/75/409865075.db2.gz QVROTPYHXHHBGO-MOENNCHZSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H](NCC12CC(C[NH2+]1)C2)C(C)C 665276993 409865081 /nfs/dbraw/zinc/86/50/81/409865081.db2.gz QVROTPYHXHHBGO-MOENNCHZSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+]CC12CC(CN1)C2)C1CC1 665276949 409865173 /nfs/dbraw/zinc/86/51/73/409865173.db2.gz PQQAWIOOGGGFJX-FKTRJACZSA-N 1 3 180.295 1.127 10 0 ADAEHO CC(C)[C@@H](C)[NH2+]CC12CC(CN1)C2 665276382 409865820 /nfs/dbraw/zinc/86/58/20/409865820.db2.gz BEUQNBOXQAIUDH-KPPDAEKUSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@@H](C)NCC12CC(C[NH2+]1)C2 665276382 409865826 /nfs/dbraw/zinc/86/58/26/409865826.db2.gz BEUQNBOXQAIUDH-KPPDAEKUSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[C@@H](C)[C@H](C)[NH2+]CC12CC(CN1)C2 665276463 409865940 /nfs/dbraw/zinc/86/59/40/409865940.db2.gz CXUUVQLLYSUOKS-QKEWWQLBSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H](C)[C@H](C)NCC12CC(C[NH2+]1)C2 665276463 409865944 /nfs/dbraw/zinc/86/59/44/409865944.db2.gz CXUUVQLLYSUOKS-QKEWWQLBSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H](C)[NH2+]CC12CC(CN1)C2 665276383 409865956 /nfs/dbraw/zinc/86/59/56/409865956.db2.gz BEUQNBOXQAIUDH-WHXUTIOJSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@H](C)NCC12CC(C[NH2+]1)C2 665276383 409865957 /nfs/dbraw/zinc/86/59/57/409865957.db2.gz BEUQNBOXQAIUDH-WHXUTIOJSA-N 1 3 182.311 1.373 10 0 ADAEHO C1=C(CN[C@@H]2CCC[NH2+]CC2)CCC1 665274352 409866221 /nfs/dbraw/zinc/86/62/21/409866221.db2.gz OSNCVXRDOHFMFF-GFCCVEGCSA-N 1 3 194.322 1.828 10 0 ADAEHO C1=C(CNC2CC[NH2+]CC2)CCC1 665273608 409866390 /nfs/dbraw/zinc/86/63/90/409866390.db2.gz ABXSKERQIHEZJL-UHFFFAOYSA-N 1 3 180.295 1.438 10 0 ADAEHO C1=C(C[NH2+]C2CCNCC2)CCC1 665273608 409866393 /nfs/dbraw/zinc/86/63/93/409866393.db2.gz ABXSKERQIHEZJL-UHFFFAOYSA-N 1 3 180.295 1.438 10 0 ADAEHO CC[C@H](C)[C@@H](C)[NH2+]CC12CC(CN1)C2 665276461 409866436 /nfs/dbraw/zinc/86/64/36/409866436.db2.gz CXUUVQLLYSUOKS-DMOGRIERSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H](C)[C@@H](C)NCC12CC(C[NH2+]1)C2 665276461 409866441 /nfs/dbraw/zinc/86/64/41/409866441.db2.gz CXUUVQLLYSUOKS-DMOGRIERSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H](C)[C@@H](C)[NH2+]CC12CC(CN1)C2 665276464 409866619 /nfs/dbraw/zinc/86/66/19/409866619.db2.gz CXUUVQLLYSUOKS-QYNFOATHSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H](C)[C@@H](C)NCC12CC(C[NH2+]1)C2 665276464 409866626 /nfs/dbraw/zinc/86/66/26/409866626.db2.gz CXUUVQLLYSUOKS-QYNFOATHSA-N 1 3 196.338 1.763 10 0 ADAEHO C1=C(CN[C@H]2CCC[NH2+]CC2)CCC1 665274353 409866800 /nfs/dbraw/zinc/86/68/00/409866800.db2.gz OSNCVXRDOHFMFF-LBPRGKRZSA-N 1 3 194.322 1.828 10 0 ADAEHO C[C@@H](NCC1=CCCC1)[C@@H]1CC[NH2+]C1 665273933 409867099 /nfs/dbraw/zinc/86/70/99/409867099.db2.gz GSGQADCQYLVFQD-ZYHUDNBSSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]CC23CC(CN2)C3)[C@@H]1C 665280314 409867906 /nfs/dbraw/zinc/86/79/06/409867906.db2.gz YMJUFQJBVDAONI-HBUVQDDESA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@H](NCC12CC(C[NH2+]1)C2)C(C)(C)C 665277403 409868059 /nfs/dbraw/zinc/86/80/59/409868059.db2.gz AQQZOVRKZKCBSI-BMQDGWLCSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]CC12CC(CN1)C2)C(C)(C)C 665277403 409868066 /nfs/dbraw/zinc/86/80/66/409868066.db2.gz AQQZOVRKZKCBSI-BMQDGWLCSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](NCC12CC(C[NH2+]1)C2)[C@@H]1C[C@H]1C 665280333 409868149 /nfs/dbraw/zinc/86/81/49/409868149.db2.gz ZDIPJIFJBFWCFS-TZMBILIQSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@H]([NH2+]CC12CC(CN1)C2)[C@@H]1C[C@H]1C 665280333 409868157 /nfs/dbraw/zinc/86/81/57/409868157.db2.gz ZDIPJIFJBFWCFS-TZMBILIQSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]CC23CC(CN2)C3)C[C@H]1C 665280316 409868189 /nfs/dbraw/zinc/86/81/89/409868189.db2.gz YMJUFQJBVDAONI-UREMCVEQSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@H](NCC12CC(C[NH2+]1)C2)[C@H]1C[C@H]1C 665280334 409868334 /nfs/dbraw/zinc/86/83/34/409868334.db2.gz ZDIPJIFJBFWCFS-UREMCVEQSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@H]([NH2+]CC12CC(CN1)C2)[C@H]1C[C@H]1C 665280334 409868339 /nfs/dbraw/zinc/86/83/39/409868339.db2.gz ZDIPJIFJBFWCFS-UREMCVEQSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1[C@@H](C)NCC12CC(C[NH2+]1)C2 665280332 409868359 /nfs/dbraw/zinc/86/83/59/409868359.db2.gz ZDIPJIFJBFWCFS-HBUVQDDESA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC12CC(CN1)C2 665280332 409868367 /nfs/dbraw/zinc/86/83/67/409868367.db2.gz ZDIPJIFJBFWCFS-HBUVQDDESA-N 1 3 194.322 1.373 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C 665283889 409868744 /nfs/dbraw/zinc/86/87/44/409868744.db2.gz WSOMVSSQXXIKDE-DDHJBXDOSA-N 1 3 198.354 1.994 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]CC12CC(CN1)C2 665280315 409868773 /nfs/dbraw/zinc/86/87/73/409868773.db2.gz YMJUFQJBVDAONI-TZMBILIQSA-N 1 3 194.322 1.373 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@H]1C[C@@H](C)[C@@H]1C 665281706 409868938 /nfs/dbraw/zinc/86/89/38/409868938.db2.gz JODIKTNRBHQGMY-KXNHARMFSA-N 1 3 198.354 1.994 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@H]1C[C@H]1C 665283891 409869161 /nfs/dbraw/zinc/86/91/61/409869161.db2.gz WSOMVSSQXXIKDE-WISYIIOYSA-N 1 3 198.354 1.994 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+]CC12CC(CN1)C2 665279757 409869207 /nfs/dbraw/zinc/86/92/07/409869207.db2.gz LJHDLKVGEFSWBO-UPOSSJBDSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H]1CC[C@@H]1[NH2+]CC12CC(CN1)C2 665279758 409869238 /nfs/dbraw/zinc/86/92/38/409869238.db2.gz LJHDLKVGEFSWBO-YECOWLKZSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H](C)[NH2+]CC12CC(CN1)C2 665277289 409869265 /nfs/dbraw/zinc/86/92/65/409869265.db2.gz YKICQSYJAZHTBI-XNWIYYODSA-N 1 3 168.284 1.127 10 0 ADAEHO CC[C@H]([NH2+]CC12CC(CN1)C2)C1CC1 665277948 409869394 /nfs/dbraw/zinc/86/93/94/409869394.db2.gz QGNBGNWRZCZHFN-ZYXZCXLHSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H](NCC12CC(C[NH2+]1)C2)C1CC1 665277948 409869404 /nfs/dbraw/zinc/86/94/04/409869404.db2.gz QGNBGNWRZCZHFN-ZYXZCXLHSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]CC23CC(CN2)C3)[C@@H]1C 665280313 409869441 /nfs/dbraw/zinc/86/94/41/409869441.db2.gz YMJUFQJBVDAONI-GRGSRKJBSA-N 1 3 194.322 1.373 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@H](C)C(C)C 665279602 409869459 /nfs/dbraw/zinc/86/94/59/409869459.db2.gz GVOFHZRHYIIVJE-GHMZBOCLSA-N 1 3 186.343 1.994 10 0 ADAEHO CC(C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C 665279603 409869834 /nfs/dbraw/zinc/86/98/34/409869834.db2.gz GVOFHZRHYIIVJE-WDEREUQCSA-N 1 3 186.343 1.994 10 0 ADAEHO C[C@@H](NCC12CC(C[NH2+]1)C2)C(C)(C)C 665277404 409870009 /nfs/dbraw/zinc/87/00/09/409870009.db2.gz AQQZOVRKZKCBSI-GRZMOONWSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+]CC12CC(CN1)C2)C(C)(C)C 665277404 409870020 /nfs/dbraw/zinc/87/00/20/409870020.db2.gz AQQZOVRKZKCBSI-GRZMOONWSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)NCC12CC(C[NH2+]1)C2 665280331 409870122 /nfs/dbraw/zinc/87/01/22/409870122.db2.gz ZDIPJIFJBFWCFS-GRGSRKJBSA-N 1 3 194.322 1.373 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC12CC(CN1)C2 665280331 409870130 /nfs/dbraw/zinc/87/01/30/409870130.db2.gz ZDIPJIFJBFWCFS-GRGSRKJBSA-N 1 3 194.322 1.373 10 0 ADAEHO CC[C@H](C)[NH2+]CC12CC(CN1)C2 665277288 409870224 /nfs/dbraw/zinc/87/02/24/409870224.db2.gz YKICQSYJAZHTBI-IDKOKCKLSA-N 1 3 168.284 1.127 10 0 ADAEHO CC1(C)CC[C@H]1[NH2+]CC12CC(CN1)C2 665279983 409870326 /nfs/dbraw/zinc/87/03/26/409870326.db2.gz QTDDLSXULYRYGV-SQLBVSGCSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H]([NH2+]CC12CC(CN1)C2)C1CC1 665277947 409870392 /nfs/dbraw/zinc/87/03/92/409870392.db2.gz QGNBGNWRZCZHFN-CKBZRRDASA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@@H](NCC12CC(C[NH2+]1)C2)C1CC1 665277947 409870401 /nfs/dbraw/zinc/87/04/01/409870401.db2.gz QGNBGNWRZCZHFN-CKBZRRDASA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H]1CC[C@H]1[NH2+]CC12CC(CN1)C2 665279756 409870436 /nfs/dbraw/zinc/87/04/36/409870436.db2.gz LJHDLKVGEFSWBO-LVFLEHKBSA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C 665283892 409870526 /nfs/dbraw/zinc/87/05/26/409870526.db2.gz WSOMVSSQXXIKDE-WRWGMCAJSA-N 1 3 198.354 1.994 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@H]1C[C@@H](C)[C@H]1C 665281705 409870673 /nfs/dbraw/zinc/87/06/73/409870673.db2.gz JODIKTNRBHQGMY-KKOKHZNYSA-N 1 3 198.354 1.994 10 0 ADAEHO CC1(C)CC[C@@H]1[NH2+]CC12CC(CN1)C2 665279984 409870694 /nfs/dbraw/zinc/87/06/94/409870694.db2.gz QTDDLSXULYRYGV-YZRBJQDESA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@H]1C[C@H]1C 665283890 409870829 /nfs/dbraw/zinc/87/08/29/409870829.db2.gz WSOMVSSQXXIKDE-NOOOWODRSA-N 1 3 198.354 1.994 10 0 ADAEHO CC[C@@H]1CC[C@H]1[NH2+]CC12CC(CN1)C2 665279755 409870860 /nfs/dbraw/zinc/87/08/60/409870860.db2.gz LJHDLKVGEFSWBO-BFUDSRACSA-N 1 3 194.322 1.517 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H](C)[C@@H]1CC1(C)C 665297615 409871314 /nfs/dbraw/zinc/87/13/14/409871314.db2.gz IZRWPUCSBWNJDN-GUBZILKMSA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CC1(C)C 665297616 409871420 /nfs/dbraw/zinc/87/14/20/409871420.db2.gz IZRWPUCSBWNJDN-IVZWLZJFSA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)[C@H]1C 665297706 409871654 /nfs/dbraw/zinc/87/16/54/409871654.db2.gz KDVDIWXEISACOR-UTINFBMNSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CC1(C)C 665297614 409871807 /nfs/dbraw/zinc/87/18/07/409871807.db2.gz IZRWPUCSBWNJDN-AEJSXWLSSA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)[C@@H]1C 665297704 409873365 /nfs/dbraw/zinc/87/33/65/409873365.db2.gz KDVDIWXEISACOR-AATLWQCWSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]2C[C@]21C 665298014 409874994 /nfs/dbraw/zinc/87/49/94/409874994.db2.gz QGFXPKSSPGRVEI-NNYUYHANSA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)[C@@H]1C 665297707 409874090 /nfs/dbraw/zinc/87/40/90/409874090.db2.gz KDVDIWXEISACOR-XFWSIPNHSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)[C@H]1C 665297705 409874346 /nfs/dbraw/zinc/87/43/46/409874346.db2.gz KDVDIWXEISACOR-AXTSPUMRSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H](C)[C@H]1CC1(C)C 665297617 409874418 /nfs/dbraw/zinc/87/44/18/409874418.db2.gz IZRWPUCSBWNJDN-LPEHRKFASA-N 1 3 184.327 1.619 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1C[C@@H]1C 665299347 409875134 /nfs/dbraw/zinc/87/51/34/409875134.db2.gz LGTVTQQLAVAEBS-AXTSPUMRSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H](C)[C@H]1C[C@H]1C 665299349 409875379 /nfs/dbraw/zinc/87/53/79/409875379.db2.gz LGTVTQQLAVAEBS-RGOKHQFPSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H](C)[C@H]1C[C@@H]1C 665299348 409875733 /nfs/dbraw/zinc/87/57/33/409875733.db2.gz LGTVTQQLAVAEBS-QEYWKRMJSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]2C[C@@]21C 665298015 409876925 /nfs/dbraw/zinc/87/69/25/409876925.db2.gz QGFXPKSSPGRVEI-QCNOEVLYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1C[C@H]1C 665299350 409876667 /nfs/dbraw/zinc/87/66/67/409876667.db2.gz LGTVTQQLAVAEBS-UTINFBMNSA-N 1 3 170.300 1.228 10 0 ADAEHO CN(CCC(C)(C)C)C1CC([NH3+])C1 384698791 409910889 /nfs/dbraw/zinc/91/08/89/409910889.db2.gz ACBRIFQWIMLDSN-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@H+](CCC(C)(C)C)C1CC(N)C1 384698791 409910895 /nfs/dbraw/zinc/91/08/95/409910895.db2.gz ACBRIFQWIMLDSN-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@@H+](CCC(C)(C)C)C1CC(N)C1 384698791 409910903 /nfs/dbraw/zinc/91/09/03/409910903.db2.gz ACBRIFQWIMLDSN-UHFFFAOYSA-N 1 3 184.327 1.844 10 0 ADAEHO CC/C=C/CN[C@H]1CCC[NH2+]CC1 385163779 409927217 /nfs/dbraw/zinc/92/72/17/409927217.db2.gz LNSGHQBTLYJTRU-UFFNRZRYSA-N 1 3 182.311 1.684 10 0 ADAEHO CC/C=C\CN[C@H]1CCC[NH2+]CC1 385163775 409927994 /nfs/dbraw/zinc/92/79/94/409927994.db2.gz LNSGHQBTLYJTRU-BYCRGOAPSA-N 1 3 182.311 1.684 10 0 ADAEHO CC/C=C/CN[C@@H]1CCC[NH2+]CC1 385163778 409928183 /nfs/dbraw/zinc/92/81/83/409928183.db2.gz LNSGHQBTLYJTRU-PGLGOXFNSA-N 1 3 182.311 1.684 10 0 ADAEHO CC/C=C\CN[C@@H]1CCC[NH2+]CC1 385163776 409928295 /nfs/dbraw/zinc/92/82/95/409928295.db2.gz LNSGHQBTLYJTRU-DLRQAJBASA-N 1 3 182.311 1.684 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C[C@H](C)CN)[C@@H]1C 385617947 409930051 /nfs/dbraw/zinc/93/00/51/409930051.db2.gz ICRMAACJBKFNCS-UTINFBMNSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@@H](NCC1(C)CC1)[C@H]1CCCC[NH2+]1 385981526 409931230 /nfs/dbraw/zinc/93/12/30/409931230.db2.gz CTNAWNFEABUEEJ-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C 385617950 409931270 /nfs/dbraw/zinc/93/12/70/409931270.db2.gz ICRMAACJBKFNCS-ZYUZMQFOSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@H](C)CN 385617945 409931322 /nfs/dbraw/zinc/93/13/22/409931322.db2.gz ICRMAACJBKFNCS-DOLQZWNJSA-N 1 3 170.300 1.215 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C[C@H](C)CN)[C@H]1C 385617949 409931821 /nfs/dbraw/zinc/93/18/21/409931821.db2.gz ICRMAACJBKFNCS-XFWSIPNHSA-N 1 3 170.300 1.215 10 0 ADAEHO C/C=C\C[NH2+][C@H](C)[C@H]1CCCCN1 386049272 409932967 /nfs/dbraw/zinc/93/29/67/409932967.db2.gz VBRLHKIHENOPOS-ANDSXOESSA-N 1 3 182.311 1.683 10 0 ADAEHO C[C@@H](NCC1(C)CC1)[C@@H]1CCCC[NH2+]1 385981529 409933038 /nfs/dbraw/zinc/93/30/38/409933038.db2.gz CTNAWNFEABUEEJ-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[C@@H]1C 386391642 409933321 /nfs/dbraw/zinc/93/33/21/409933321.db2.gz UDDLDLLJPXYDLP-DOLQZWNJSA-N 1 3 170.300 1.228 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[C@@H]1C 386391643 409933432 /nfs/dbraw/zinc/93/34/32/409933432.db2.gz UDDLDLLJPXYDLP-QCLAVDOMSA-N 1 3 170.300 1.228 10 0 ADAEHO C/C=C/C[NH2+][C@H](C)[C@H]1CCCCN1 386049275 409933690 /nfs/dbraw/zinc/93/36/90/409933690.db2.gz VBRLHKIHENOPOS-YIZUVKHSSA-N 1 3 182.311 1.683 10 0 ADAEHO C[C@H](NCC1(C)CC1)[C@@H]1CCCC[NH2+]1 385981532 409933752 /nfs/dbraw/zinc/93/37/52/409933752.db2.gz CTNAWNFEABUEEJ-QWRGUYRKSA-N 1 3 196.338 1.907 10 0 ADAEHO CNCCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386408424 409933965 /nfs/dbraw/zinc/93/39/65/409933965.db2.gz WMJVOIZJVOSCLR-OPRDCNLKSA-N 1 3 170.300 1.230 10 0 ADAEHO CNCCC[NH2+][C@@H]1C[C@H](C)[C@H]1C 386408419 409934183 /nfs/dbraw/zinc/93/41/83/409934183.db2.gz WMJVOIZJVOSCLR-IVZWLZJFSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+]CCCNC2CC2)[C@@H]1C 386258353 409934206 /nfs/dbraw/zinc/93/42/06/409934206.db2.gz JUPYGRBJAOFVIF-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[C@H]1C 386391644 409934461 /nfs/dbraw/zinc/93/44/61/409934461.db2.gz UDDLDLLJPXYDLP-SGIHWFKDSA-N 1 3 170.300 1.228 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 386059716 409934949 /nfs/dbraw/zinc/93/49/49/409934949.db2.gz AZWOLPBKAKTBPF-AATLWQCWSA-N 1 3 170.300 1.358 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[C@H]1C 386391647 409935225 /nfs/dbraw/zinc/93/52/25/409935225.db2.gz UDDLDLLJPXYDLP-ZYUZMQFOSA-N 1 3 170.300 1.228 10 0 ADAEHO CCNCCC[NH2+][C@@H]1C[C@H](C)[C@H]1C 386351019 409935268 /nfs/dbraw/zinc/93/52/68/409935268.db2.gz MXSVVMFDQDQPSC-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCCN[C@@H]1C[C@H](C)[C@H]1C 386351019 409935275 /nfs/dbraw/zinc/93/52/75/409935275.db2.gz MXSVVMFDQDQPSC-HBNTYKKESA-N 1 3 184.327 1.620 10 0 ADAEHO CCNCCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386351020 409935340 /nfs/dbraw/zinc/93/53/40/409935340.db2.gz MXSVVMFDQDQPSC-OUAUKWLOSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCCN[C@@H]1C[C@@H](C)[C@@H]1C 386351020 409935348 /nfs/dbraw/zinc/93/53/48/409935348.db2.gz MXSVVMFDQDQPSC-OUAUKWLOSA-N 1 3 184.327 1.620 10 0 ADAEHO CNCCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 386408421 409935371 /nfs/dbraw/zinc/93/53/71/409935371.db2.gz WMJVOIZJVOSCLR-KXUCPTDWSA-N 1 3 170.300 1.230 10 0 ADAEHO CCNCCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 386351018 409935409 /nfs/dbraw/zinc/93/54/09/409935409.db2.gz MXSVVMFDQDQPSC-GMTAPVOTSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCCN[C@@H]1C[C@@H](C)[C@H]1C 386351018 409935412 /nfs/dbraw/zinc/93/54/12/409935412.db2.gz MXSVVMFDQDQPSC-GMTAPVOTSA-N 1 3 184.327 1.620 10 0 ADAEHO C/C=C/C[NH2+][C@H](C)[C@@H]1CCCCN1 386049274 409935443 /nfs/dbraw/zinc/93/54/43/409935443.db2.gz VBRLHKIHENOPOS-YHROSDCASA-N 1 3 182.311 1.683 10 0 ADAEHO CCNCCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 386351017 409935484 /nfs/dbraw/zinc/93/54/84/409935484.db2.gz MXSVVMFDQDQPSC-GARJFASQSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[NH2+]CCCN[C@@H]1C[C@H](C)[C@@H]1C 386351017 409935493 /nfs/dbraw/zinc/93/54/93/409935493.db2.gz MXSVVMFDQDQPSC-GARJFASQSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+]CCCNC2CC2)[C@@H]1C 386258355 409935531 /nfs/dbraw/zinc/93/55/31/409935531.db2.gz JUPYGRBJAOFVIF-FOGDFJRCSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]CCCNC1CC1 386258356 409935644 /nfs/dbraw/zinc/93/56/44/409935644.db2.gz JUPYGRBJAOFVIF-JFGNBEQYSA-N 1 3 196.338 1.763 10 0 ADAEHO CNCCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 386408422 409935910 /nfs/dbraw/zinc/93/59/10/409935910.db2.gz WMJVOIZJVOSCLR-LPEHRKFASA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C 386059717 409935662 /nfs/dbraw/zinc/93/56/62/409935662.db2.gz AZWOLPBKAKTBPF-AXTSPUMRSA-N 1 3 170.300 1.358 10 0 ADAEHO C[C@@H]1[C@@H]([NH2+]CCCNC2CC2)C[C@H]1C 386258357 409935669 /nfs/dbraw/zinc/93/56/69/409935669.db2.gz JUPYGRBJAOFVIF-SCVCMEIPSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](NCC1(C)CC1)[C@H]1CCCC[NH2+]1 385981534 409935721 /nfs/dbraw/zinc/93/57/21/409935721.db2.gz CTNAWNFEABUEEJ-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO C/C=C\C[NH2+][C@H](C)[C@@H]1CCCCN1 386049273 409935877 /nfs/dbraw/zinc/93/58/77/409935877.db2.gz VBRLHKIHENOPOS-CJOPTALJSA-N 1 3 182.311 1.683 10 0 ADAEHO CC[C@H]([NH2+]CCCN)C1CCCC1 387443002 409944468 /nfs/dbraw/zinc/94/44/68/409944468.db2.gz LATJCYFMKIEFNG-NSHDSACASA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@@H]([NH2+]CCCN)C1CCCC1 387442998 409944738 /nfs/dbraw/zinc/94/47/38/409944738.db2.gz LATJCYFMKIEFNG-LLVKDONJSA-N 1 3 184.327 1.894 10 0 ADAEHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCNCC1 387729765 409946308 /nfs/dbraw/zinc/94/63/08/409946308.db2.gz RUPVGANSBFVZEG-WOPDTQHZSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCNCC1 387729762 409947327 /nfs/dbraw/zinc/94/73/27/409947327.db2.gz RUPVGANSBFVZEG-GRYCIOLGSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1C[C@H]1C[NH2+]C1CCNCC1 387917194 409947503 /nfs/dbraw/zinc/94/75/03/409947503.db2.gz NUUFHKJURBBPOS-ZJUUUORDSA-N 1 3 182.311 1.374 10 0 ADAEHO C[N@H+](CCCN)CC1(C)CCC1 388414641 409954083 /nfs/dbraw/zinc/95/40/83/409954083.db2.gz DQRXUCVWVPAJCE-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO C[N@@H+](CCCN)CC1(C)CCC1 388414641 409954085 /nfs/dbraw/zinc/95/40/85/409954085.db2.gz DQRXUCVWVPAJCE-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO CN(CCC[NH3+])CC1(C)CCC1 388414641 409954087 /nfs/dbraw/zinc/95/40/87/409954087.db2.gz DQRXUCVWVPAJCE-UHFFFAOYSA-N 1 3 170.300 1.457 10 0 ADAEHO C[N@H+](CCCN)CCCCCF 388489640 409957894 /nfs/dbraw/zinc/95/78/94/409957894.db2.gz FWIBTHZDGYARJZ-UHFFFAOYSA-N 1 3 176.279 1.407 10 0 ADAEHO C[N@@H+](CCCN)CCCCCF 388489640 409957898 /nfs/dbraw/zinc/95/78/98/409957898.db2.gz FWIBTHZDGYARJZ-UHFFFAOYSA-N 1 3 176.279 1.407 10 0 ADAEHO CN(CCC[NH3+])CCCCCF 388489640 409957904 /nfs/dbraw/zinc/95/79/04/409957904.db2.gz FWIBTHZDGYARJZ-UHFFFAOYSA-N 1 3 176.279 1.407 10 0 ADAEHO NCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 389575242 409970191 /nfs/dbraw/zinc/97/01/91/409970191.db2.gz DLQSMNYZVPVUOW-NEPJUHHUSA-N 1 3 196.338 1.894 10 0 ADAEHO NCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 389575247 409970792 /nfs/dbraw/zinc/97/07/92/409970792.db2.gz DLQSMNYZVPVUOW-RYUDHWBXSA-N 1 3 196.338 1.894 10 0 ADAEHO CC(F)(F)CCC[NH2+][C@@H]1CCNC1 390050960 409977416 /nfs/dbraw/zinc/97/74/16/409977416.db2.gz HXMITFWQZICESS-MRVPVSSYSA-N 1 3 192.253 1.373 10 0 ADAEHO NCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 389575248 409971362 /nfs/dbraw/zinc/97/13/62/409971362.db2.gz DLQSMNYZVPVUOW-VXGBXAGGSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@H](CC1CCCC1)[NH2+]CCCN 389314952 409971530 /nfs/dbraw/zinc/97/15/30/409971530.db2.gz PVCZCPKWGZXNPN-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO NCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 389575244 409971621 /nfs/dbraw/zinc/97/16/21/409971621.db2.gz DLQSMNYZVPVUOW-NWDGAFQWSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H](CC1CCCC1)[NH2+]CCCN 389314939 409971690 /nfs/dbraw/zinc/97/16/90/409971690.db2.gz PVCZCPKWGZXNPN-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO C1CC(C[NH2+][C@@H]2CCNC2)(C2CC2)C1 391606606 409976224 /nfs/dbraw/zinc/97/62/24/409976224.db2.gz XCKNUCPZSVYDID-LLVKDONJSA-N 1 3 194.322 1.518 10 0 ADAEHO CCCC1(C[NH2+][C@@H]2CCNC2)CCC1 391799116 409976416 /nfs/dbraw/zinc/97/64/16/409976416.db2.gz FMPJSAHMFYZZRU-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CCCC1(C[NH2+][C@H]2CCNC2)CCC1 391799118 409976949 /nfs/dbraw/zinc/97/69/49/409976949.db2.gz FMPJSAHMFYZZRU-NSHDSACASA-N 1 3 196.338 1.908 10 0 ADAEHO C1CC(C[NH2+][C@H]2CCNC2)(C2CC2)C1 391606609 409977210 /nfs/dbraw/zinc/97/72/10/409977210.db2.gz XCKNUCPZSVYDID-NSHDSACASA-N 1 3 194.322 1.518 10 0 ADAEHO CC(F)(F)CCC[NH2+][C@H]1CCNC1 390050961 409977601 /nfs/dbraw/zinc/97/76/01/409977601.db2.gz HXMITFWQZICESS-QMMMGPOBSA-N 1 3 192.253 1.373 10 0 ADAEHO CCC[C@@H](C)CN(C)C1CC([NH3+])C1 394938242 409998697 /nfs/dbraw/zinc/99/86/97/409998697.db2.gz CKVUXUNZVGSXKC-KPPDAEKUSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[C@H](C)CN(C)C1CC([NH3+])C1 394938244 409999339 /nfs/dbraw/zinc/99/93/39/409999339.db2.gz CKVUXUNZVGSXKC-WHXUTIOJSA-N 1 3 184.327 1.844 10 0 ADAEHO NCCC[NH2+][C@@H]1CCCC12CCC2 394801778 409999937 /nfs/dbraw/zinc/99/99/37/409999937.db2.gz MPKPWZWRYPDRNO-SNVBAGLBSA-N 1 3 182.311 1.648 10 0 ADAEHO NCCC[NH2+][C@H]1CCCC12CCC2 394801775 410000207 /nfs/dbraw/zinc/00/02/07/410000207.db2.gz MPKPWZWRYPDRNO-JTQLQIEISA-N 1 3 182.311 1.648 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCNCC1 395438006 410005151 /nfs/dbraw/zinc/00/51/51/410005151.db2.gz KKKCKZHMEQADPP-ZYHUDNBSSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]1NC1CC[NH2+]CC1 395438006 410005157 /nfs/dbraw/zinc/00/51/57/410005157.db2.gz KKKCKZHMEQADPP-ZYHUDNBSSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]CCCN)[C@H]1CC1(C)C 397843972 410017079 /nfs/dbraw/zinc/01/70/79/410017079.db2.gz QACUIFQXDGFEPM-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1CCCN1)[C@@H]1CC1(C)C 397856279 410017283 /nfs/dbraw/zinc/01/72/83/410017283.db2.gz XEARCKYVQISHHG-AXFHLTTASA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]CC[C@@H](C)N)C1CC1 397980245 410017401 /nfs/dbraw/zinc/01/74/01/410017401.db2.gz DZEFMMSJFDEHNW-SFYZADRCSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH2+]C[C@H](C)CN)[C@@H]1CC1(C)C 397827888 410017714 /nfs/dbraw/zinc/01/77/14/410017714.db2.gz RGJCRUQOSCLWPO-UTLUCORTSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)[C@@H]1CC1(C)C 397827879 410017768 /nfs/dbraw/zinc/01/77/68/410017768.db2.gz RGJCRUQOSCLWPO-BBBLOLIVSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H]([NH2+]CCCN)[C@@H]1CC1(C)C 397843973 410017946 /nfs/dbraw/zinc/01/79/46/410017946.db2.gz QACUIFQXDGFEPM-IUCAKERBSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@H](C)C1CC1 397980242 410017979 /nfs/dbraw/zinc/01/79/79/410017979.db2.gz DZEFMMSJFDEHNW-HTQZYQBOSA-N 1 3 156.273 1.112 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1CCCN1)[C@@H]1CC1(C)C 397856280 410018028 /nfs/dbraw/zinc/01/80/28/410018028.db2.gz XEARCKYVQISHHG-DCAQKATOSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+]C[C@H]1CCCN1)[C@H]1CC1(C)C 397856282 410018008 /nfs/dbraw/zinc/01/80/08/410018008.db2.gz XEARCKYVQISHHG-HBNTYKKESA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](CN)C[NH2+][C@H](C)[C@H]1CC1(C)C 397827886 410018098 /nfs/dbraw/zinc/01/80/98/410018098.db2.gz RGJCRUQOSCLWPO-OPRDCNLKSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H]([NH2+]C[C@@H]1CCCN1)[C@H]1CC1(C)C 397856281 410018215 /nfs/dbraw/zinc/01/82/15/410018215.db2.gz XEARCKYVQISHHG-GARJFASQSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+]CCCN)[C@H]1CC1(C)C 397843975 410018730 /nfs/dbraw/zinc/01/87/30/410018730.db2.gz QACUIFQXDGFEPM-RKDXNWHRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H]([NH2+]C[C@H](C)CN)[C@H]1CC1(C)C 397827884 410018878 /nfs/dbraw/zinc/01/88/78/410018878.db2.gz RGJCRUQOSCLWPO-KXUCPTDWSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)=CCC[NH2+]C1CCNCC1 397825124 410018892 /nfs/dbraw/zinc/01/88/92/410018892.db2.gz PFTNEAXWYFDHSW-UHFFFAOYSA-N 1 3 182.311 1.684 10 0 ADAEHO C[C@@H]([NH2+]CCCN)[C@@H]1CC1(C)C 397843970 410018907 /nfs/dbraw/zinc/01/89/07/410018907.db2.gz QACUIFQXDGFEPM-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H](NCC[C@H]1CCC[NH2+]1)C1CC1 398013854 410019409 /nfs/dbraw/zinc/01/94/09/410019409.db2.gz UZTLINFDKQFOBN-GXSJLCMTSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](CCC1CC1)[NH2+]CC1CNC1 398119581 410020580 /nfs/dbraw/zinc/02/05/80/410020580.db2.gz FZMWEJYSDQSSAL-SECBINFHSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H](CCC1CC1)[NH2+]CCCN 398099178 410020817 /nfs/dbraw/zinc/02/08/17/410020817.db2.gz SAFGKECTZQADLY-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H](CCC1CC1)[NH2+]CCCN 398099179 410021074 /nfs/dbraw/zinc/02/10/74/410021074.db2.gz SAFGKECTZQADLY-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H](NCC[C@H]1CCC[NH2+]1)C1CC1 398013856 410021305 /nfs/dbraw/zinc/02/13/05/410021305.db2.gz UZTLINFDKQFOBN-MWLCHTKSSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H](CCC1CC1)[NH2+]CC1CNC1 398119583 410022058 /nfs/dbraw/zinc/02/20/58/410022058.db2.gz FZMWEJYSDQSSAL-VIFPVBQESA-N 1 3 182.311 1.374 10 0 ADAEHO CC[C@H](C)N[C@@H]1C[NH2+]C[C@@H](C)C1 401887888 410032064 /nfs/dbraw/zinc/03/20/64/410032064.db2.gz VGFNICCITCBAGV-GUBZILKMSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](N[C@@H](C)C2CC2)C1 401873123 410032150 /nfs/dbraw/zinc/03/21/50/410032150.db2.gz LYTACFDPRMBSPW-QXEWZRGKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](NCC2(C)CCC2)C1 401639401 410032213 /nfs/dbraw/zinc/03/22/13/410032213.db2.gz GEEZMVQTDGSPJW-MNOVXSKESA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](NCCC2CC2)C1 401870671 410032322 /nfs/dbraw/zinc/03/23/22/410032322.db2.gz KOHUXINIUMZHJI-GXSJLCMTSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](N[C@H](C)C2CC2)C1 401873121 410032334 /nfs/dbraw/zinc/03/23/34/410032334.db2.gz LYTACFDPRMBSPW-NGZCFLSTSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](NC2CCCCC2)C1 401632749 410032383 /nfs/dbraw/zinc/03/23/83/410032383.db2.gz AVQFIRCYBCWJEO-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H](C)N[C@H]1C[NH2+]C[C@@H](C)C1 401887891 410032440 /nfs/dbraw/zinc/03/24/40/410032440.db2.gz VGFNICCITCBAGV-LPEHRKFASA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](NCCC2CC2)C1 401870674 410032533 /nfs/dbraw/zinc/03/25/33/410032533.db2.gz KOHUXINIUMZHJI-KOLCDFICSA-N 1 3 182.311 1.374 10 0 ADAEHO CC(C)CN[C@@H]1C[NH2+]C[C@H](C)C1 401893842 410032595 /nfs/dbraw/zinc/03/25/95/410032595.db2.gz ZSYSUBRRXKOBKT-ZJUUUORDSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N[C@H](C)C2CC2)C1 401873119 410032619 /nfs/dbraw/zinc/03/26/19/410032619.db2.gz LYTACFDPRMBSPW-IQJOONFLSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](NCC2(C)CCC2)C1 401639403 410032635 /nfs/dbraw/zinc/03/26/35/410032635.db2.gz GEEZMVQTDGSPJW-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](NC2CCCCC2)C1 401632746 410032650 /nfs/dbraw/zinc/03/26/50/410032650.db2.gz AVQFIRCYBCWJEO-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](NCCC2CC2)C1 401870677 410032855 /nfs/dbraw/zinc/03/28/55/410032855.db2.gz KOHUXINIUMZHJI-MWLCHTKSSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](NC2CCCCC2)C1 401632752 410032894 /nfs/dbraw/zinc/03/28/94/410032894.db2.gz AVQFIRCYBCWJEO-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 401887892 410033221 /nfs/dbraw/zinc/03/32/21/410033221.db2.gz VGFNICCITCBAGV-UTLUCORTSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](NC2CCCCC2)C1 401632748 410033375 /nfs/dbraw/zinc/03/33/75/410033375.db2.gz AVQFIRCYBCWJEO-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](NCC2(C)CCC2)C1 401639402 410033391 /nfs/dbraw/zinc/03/33/91/410033391.db2.gz GEEZMVQTDGSPJW-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)CN[C@H]1C[NH2+]C[C@H](C)C1 401893839 410033474 /nfs/dbraw/zinc/03/34/74/410033474.db2.gz ZSYSUBRRXKOBKT-NXEZZACHSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](NCCC2CC2)C1 401870680 410033541 /nfs/dbraw/zinc/03/35/41/410033541.db2.gz KOHUXINIUMZHJI-ONGXEEELSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H](N[C@@H](C)C2CC2)C1 401873118 410033563 /nfs/dbraw/zinc/03/35/63/410033563.db2.gz LYTACFDPRMBSPW-ATZCPNFKSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](NCC2(C)CCC2)C1 401639400 410033684 /nfs/dbraw/zinc/03/36/84/410033684.db2.gz GEEZMVQTDGSPJW-GHMZBOCLSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)CN[C@H]1C[NH2+]C[C@@H](C)C1 401893841 410033838 /nfs/dbraw/zinc/03/38/38/410033838.db2.gz ZSYSUBRRXKOBKT-VHSXEESVSA-N 1 3 170.300 1.230 10 0 ADAEHO CC(C)CN[C@@H]1C[NH2+]C[C@@H](C)C1 401893840 410033962 /nfs/dbraw/zinc/03/39/62/410033962.db2.gz ZSYSUBRRXKOBKT-UWVGGRQHSA-N 1 3 170.300 1.230 10 0 ADAEHO CC[C@H](C)N[C@H]1C[NH2+]C[C@H](C)C1 401887889 410033944 /nfs/dbraw/zinc/03/39/44/410033944.db2.gz VGFNICCITCBAGV-KXUCPTDWSA-N 1 3 170.300 1.373 10 0 ADAEHO C1CC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CCN1 403704538 410038624 /nfs/dbraw/zinc/03/86/24/410038624.db2.gz DGIFMTADXYYBKQ-CKYFFXLPSA-N 1 3 194.322 1.517 10 0 ADAEHO C1CC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CCN1 403704548 410038692 /nfs/dbraw/zinc/03/86/92/410038692.db2.gz DGIFMTADXYYBKQ-JBLDHEPKSA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)C[C@]1([NH3+])CCN2CC[C@H]1C2 575580575 410113375 /nfs/dbraw/zinc/11/33/75/410113375.db2.gz DWKPRWSPECTKHZ-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO [NH3+]CCCN1CC[C@@]2(C1)CC2(F)F 650725225 410277767 /nfs/dbraw/zinc/27/77/67/410277767.db2.gz WISANHYZRNOWQS-QMMMGPOBSA-N 1 3 190.237 1.066 10 0 ADAEHO C[C@H]([NH2+][C@H](C)C(C)(C)C)C1CNC1 650760857 410278879 /nfs/dbraw/zinc/27/88/79/410278879.db2.gz NLOQWQNAKZUIDH-DTWKUNHWSA-N 1 3 184.327 1.619 10 0 ADAEHO [NH3+]CCCN1CC[C@]2(C1)CC2(F)F 650725224 410278982 /nfs/dbraw/zinc/27/89/82/410278982.db2.gz WISANHYZRNOWQS-MRVPVSSYSA-N 1 3 190.237 1.066 10 0 ADAEHO C[C@@H]([NH2+][C@H](C)C(C)(C)C)C1CNC1 650760858 410279671 /nfs/dbraw/zinc/27/96/71/410279671.db2.gz NLOQWQNAKZUIDH-RKDXNWHRSA-N 1 3 184.327 1.619 10 0 ADAEHO CCC(C)(C)[N@@H+](C)[C@@H](C)CCN 68994905 572016677 /nfs/dbraw/zinc/01/66/77/572016677.db2.gz LGJAQFIGSIBWHW-VIFPVBQESA-N 1 3 172.316 1.844 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@H]1CCC[C@@H]1N 68948354 572012230 /nfs/dbraw/zinc/01/22/30/572012230.db2.gz BQZBDVCJEKBJBB-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@H]1CCC[C@@H]1N 68948354 572012232 /nfs/dbraw/zinc/01/22/32/572012232.db2.gz BQZBDVCJEKBJBB-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC(C)(C)[N@H+](C)[C@@H](C)CCN 68994905 572016675 /nfs/dbraw/zinc/01/66/75/572016675.db2.gz LGJAQFIGSIBWHW-VIFPVBQESA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@]1(CC)CC[NH2+]C1 300389224 572156201 /nfs/dbraw/zinc/15/62/01/572156201.db2.gz RRTVNMHVODTTQX-WOPDTQHZSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCC[C@H](N)C[N@H+](C)CC 37480915 572156208 /nfs/dbraw/zinc/15/62/08/572156208.db2.gz AKPBEUGEMZVAQS-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCCC[C@H](N)C[N@@H+](C)CC 37480915 572156210 /nfs/dbraw/zinc/15/62/10/572156210.db2.gz AKPBEUGEMZVAQS-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO C[C@@H](C[NH2+]CC1(C)CC1)[C@@H](C)N 235155392 572156234 /nfs/dbraw/zinc/15/62/34/572156234.db2.gz VTBHMDNLUQCOFU-DTWKUNHWSA-N 1 3 170.300 1.359 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 300392528 572162951 /nfs/dbraw/zinc/16/29/51/572162951.db2.gz WUCKQIHRUKAAKD-YTWAJWBKSA-N 1 3 182.311 1.644 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 300392528 572162954 /nfs/dbraw/zinc/16/29/54/572162954.db2.gz WUCKQIHRUKAAKD-YTWAJWBKSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H]1CCC[NH2+][C@H]1CNCC1CC1 235594656 572043721 /nfs/dbraw/zinc/04/37/21/572043721.db2.gz IXLGEILHWCNPBA-ONGXEEELSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H](N)CC[N@H+](C)CC1CCCC1 82492350 572043724 /nfs/dbraw/zinc/04/37/24/572043724.db2.gz HPVHCQAOEPEVOS-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)CC1CCCC1 82492350 572043725 /nfs/dbraw/zinc/04/37/25/572043725.db2.gz HPVHCQAOEPEVOS-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CC1CCCC1 82492350 572043730 /nfs/dbraw/zinc/04/37/30/572043730.db2.gz HPVHCQAOEPEVOS-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1SCC[C@@H]1N(C)CCC[NH3+] 235597412 572043774 /nfs/dbraw/zinc/04/37/74/572043774.db2.gz QJOBHZYLBIBIGB-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1SCC[C@@H]1[N@H+](C)CCCN 235597412 572043775 /nfs/dbraw/zinc/04/37/75/572043775.db2.gz QJOBHZYLBIBIGB-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO C[C@H]1SCC[C@@H]1[N@@H+](C)CCCN 235597412 572043776 /nfs/dbraw/zinc/04/37/76/572043776.db2.gz QJOBHZYLBIBIGB-BDAKNGLRSA-N 1 3 188.340 1.161 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CCC(C)CC1 36677436 572060241 /nfs/dbraw/zinc/06/02/41/572060241.db2.gz GWNDXVLVGYRZOK-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN 300374183 572143810 /nfs/dbraw/zinc/14/38/10/572143810.db2.gz BKTJMRRFSIAVDQ-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[C@H](C)N 300375737 572143819 /nfs/dbraw/zinc/14/38/19/572143819.db2.gz DBAHIGLBCPWAAT-YTWAJWBKSA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@@H](C)[C@H](C)[NH3+] 300375737 572143822 /nfs/dbraw/zinc/14/38/22/572143822.db2.gz DBAHIGLBCPWAAT-YTWAJWBKSA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[C@@H](C)N 300375738 572143854 /nfs/dbraw/zinc/14/38/54/572143854.db2.gz DBAHIGLBCPWAAT-ZDCRXTMVSA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H](C)[C@@H](C)[NH3+] 300375738 572143856 /nfs/dbraw/zinc/14/38/56/572143856.db2.gz DBAHIGLBCPWAAT-ZDCRXTMVSA-N 1 3 184.327 1.748 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@H]1CC[C@H]1C 308141636 572830461 /nfs/dbraw/zinc/83/04/61/572830461.db2.gz LLTAELNHZWMPEB-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@H](N)CC[NH2+]CCC1CC1 128660707 573100767 /nfs/dbraw/zinc/10/07/67/573100767.db2.gz SQTSNLQCHADIDS-NSHDSACASA-N 1 3 184.327 1.894 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C1CCCC1 82560366 573100780 /nfs/dbraw/zinc/10/07/80/573100780.db2.gz ASAYSVYEJXIEFN-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H](N)CC[NH2+]CCC1CC1 128660922 573100792 /nfs/dbraw/zinc/10/07/92/573100792.db2.gz SQTSNLQCHADIDS-LLVKDONJSA-N 1 3 184.327 1.894 10 0 ADAEHO NC[C@H](C[NH2+]C1CCCC1)C1CCC1 258218341 573011580 /nfs/dbraw/zinc/01/15/80/573011580.db2.gz KFMCNJQXWVUHHR-LLVKDONJSA-N 1 3 196.338 1.894 10 0 ADAEHO CC[C@H]([NH2+]C)[C@@H](CNC)C(C)C 259309088 573011633 /nfs/dbraw/zinc/01/16/33/573011633.db2.gz QTNZPJNBBZJYEX-UWVGGRQHSA-N 1 3 172.316 1.476 10 0 ADAEHO CC1=CCC[N@H+](C[C@@H](N)CC2CC2)C1 308497590 573085612 /nfs/dbraw/zinc/08/56/12/573085612.db2.gz UGNCWKVGFRVLSD-LBPRGKRZSA-N 1 3 194.322 1.766 10 0 ADAEHO CC1=CCC[N@@H+](C[C@@H](N)CC2CC2)C1 308497590 573085617 /nfs/dbraw/zinc/08/56/17/573085617.db2.gz UGNCWKVGFRVLSD-LBPRGKRZSA-N 1 3 194.322 1.766 10 0 ADAEHO CC[NH2+]CCCN1CC[C@@H](C)[C@H](C)C1 131906955 573111071 /nfs/dbraw/zinc/11/10/71/573111071.db2.gz GXLVPWVKYOFRET-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH2+]C[C@@H]1CC[C@H]2CCCC[C@@H]2N1 85665598 573111180 /nfs/dbraw/zinc/11/11/80/573111180.db2.gz ZPXMTZPHOKMKIE-WOPDTQHZSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)C[C@@]1(C)C[C@H]1C 715126678 573113884 /nfs/dbraw/zinc/11/38/84/573113884.db2.gz LNMVKOUZRUCODT-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)C[C@@]1(C)C[C@H]1C 715126678 573113889 /nfs/dbraw/zinc/11/38/89/573113889.db2.gz LNMVKOUZRUCODT-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)C[C@@]1(C)C[C@H]1C 715126678 573113891 /nfs/dbraw/zinc/11/38/91/573113891.db2.gz LNMVKOUZRUCODT-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[NH2+][C@@](C)([C@H]2CCCN(C)C2)O1 258561762 573168267 /nfs/dbraw/zinc/16/82/67/573168267.db2.gz OYAYOZSOMYOGPR-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCNCC[C@@H]1C 259360013 573183772 /nfs/dbraw/zinc/18/37/72/573183772.db2.gz KFNRJNOBHXIARD-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCNCC[C@@H]1C 259360013 573183778 /nfs/dbraw/zinc/18/37/78/573183778.db2.gz KFNRJNOBHXIARD-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H](c1csc(C[NH3+])c1)N(C)C 257962155 573184196 /nfs/dbraw/zinc/18/41/96/573184196.db2.gz XMONIJKAZBWUSM-ZETCQYMHSA-N 1 3 184.308 1.829 10 0 ADAEHO CCNC[C@@H]([NH3+])C1CCCCC1 259356493 573184352 /nfs/dbraw/zinc/18/43/52/573184352.db2.gz MCQKWAAADYIWEP-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H]1C[C@@H]1NCCC(C)(C)[NH3+] 82773341 573184438 /nfs/dbraw/zinc/18/44/38/573184438.db2.gz QXQFMUNRIXITEX-YUMQZZPRSA-N 1 3 156.273 1.112 10 0 ADAEHO CN[C@H](C)c1cnc([C@@H]2CCC[NH2+]2)o1 257961222 573184556 /nfs/dbraw/zinc/18/45/56/573184556.db2.gz GIKVBRGILLCREW-SFYZADRCSA-N 1 3 195.266 1.380 10 0 ADAEHO C[C@@H](N)c1coc([C@H]2CCC[NH2+]2)n1 257959288 573199665 /nfs/dbraw/zinc/19/96/65/573199665.db2.gz GFAKAQLMWWLENN-RNFRBKRXSA-N 1 3 181.239 1.119 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 123829494 573200908 /nfs/dbraw/zinc/20/09/08/573200908.db2.gz OVWJIUCLWSCPPT-WISYIIOYSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 123829494 573200913 /nfs/dbraw/zinc/20/09/13/573200913.db2.gz OVWJIUCLWSCPPT-WISYIIOYSA-N 1 3 194.322 1.611 10 0 ADAEHO CNCC1(C[NH2+]C(C)(C)C)CCC1 258583024 573200980 /nfs/dbraw/zinc/20/09/80/573200980.db2.gz FJHDCLGDIGDMQA-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@H]1C[N@H+](C)CCCCN1 238311115 573203602 /nfs/dbraw/zinc/20/36/02/573203602.db2.gz VVMWAFRZVBGAHX-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CN[C@H](C1CCCC1)C(C)(C)[NH2+]C 259371391 573202923 /nfs/dbraw/zinc/20/29/23/573202923.db2.gz LLNKQSKIIZNINC-SNVBAGLBSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@H]1C[N@@H+](C)CCCCN1 238311115 573203609 /nfs/dbraw/zinc/20/36/09/573203609.db2.gz VVMWAFRZVBGAHX-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH+]1CCCCC1 82800980 573202987 /nfs/dbraw/zinc/20/29/87/573202987.db2.gz ZHMUGBHUCLJSPB-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N1CCCCC1 82800980 573202991 /nfs/dbraw/zinc/20/29/91/573202991.db2.gz ZHMUGBHUCLJSPB-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[NH+]1CCCCCC1 82800955 573203202 /nfs/dbraw/zinc/20/32/02/573203202.db2.gz VSABLCQDPVXPKM-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82801150 573203350 /nfs/dbraw/zinc/20/33/50/573203350.db2.gz WXPZEFLBYLYMJG-SFYZADRCSA-N 1 3 144.262 1.064 10 0 ADAEHO CC1CC[NH+]([C@@H](C)C[C@@H](C)N)CC1 82800802 573203484 /nfs/dbraw/zinc/20/34/84/573203484.db2.gz PWFBZXKDMXCQOK-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO C1C[NH2+][C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 257746883 573203540 /nfs/dbraw/zinc/20/35/40/573203540.db2.gz YZKYHFOTARPRHN-GMTAPVOTSA-N 1 3 180.295 1.223 10 0 ADAEHO CC[C@H]1CN(C)CCCC[NH2+]1 238311115 573203599 /nfs/dbraw/zinc/20/35/99/573203599.db2.gz VVMWAFRZVBGAHX-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+]1CCCC1(C)C 82802369 573205289 /nfs/dbraw/zinc/20/52/89/573205289.db2.gz FGIGMZYYARYYMT-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+]1CCCC1(C)C 82802369 573205295 /nfs/dbraw/zinc/20/52/95/573205295.db2.gz FGIGMZYYARYYMT-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N(C)C1CC1 82801175 573205489 /nfs/dbraw/zinc/20/54/89/573205489.db2.gz VXYVRHVCXSDFKL-HTQZYQBOSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](N)c1ccc(F)cc1 259368054 573205535 /nfs/dbraw/zinc/20/55/35/573205535.db2.gz MNSXDZUVPFKKHL-OIBJUYFYSA-N 1 3 182.242 1.420 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+]1CCCC1(C)C 82802366 573205549 /nfs/dbraw/zinc/20/55/49/573205549.db2.gz FGIGMZYYARYYMT-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+]1CCCC1(C)C 82802366 573205555 /nfs/dbraw/zinc/20/55/55/573205555.db2.gz FGIGMZYYARYYMT-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](C[NH3+])[C@H](N)c1ccc(F)cc1 259368058 573205831 /nfs/dbraw/zinc/20/58/31/573205831.db2.gz MNSXDZUVPFKKHL-XCBNKYQSSA-N 1 3 182.242 1.420 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH+]1CCCCC1 82800979 573205852 /nfs/dbraw/zinc/20/58/52/573205852.db2.gz ZHMUGBHUCLJSPB-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N1CCCCC1 82800979 573205860 /nfs/dbraw/zinc/20/58/60/573205860.db2.gz ZHMUGBHUCLJSPB-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1C[NH2+]CCCCN1C 238312953 573208533 /nfs/dbraw/zinc/20/85/33/573208533.db2.gz PVKZHWUJFGPEKK-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H]1CNCCCC[N@@H+]1C 238312953 573208537 /nfs/dbraw/zinc/20/85/37/573208537.db2.gz PVKZHWUJFGPEKK-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H]1CNCCCC[N@H+]1C 238312953 573208540 /nfs/dbraw/zinc/20/85/40/573208540.db2.gz PVKZHWUJFGPEKK-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@@]2(C)NCCO2)C1 258252349 573208668 /nfs/dbraw/zinc/20/86/68/573208668.db2.gz AQBINTFXVVNOKU-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@@]2(C)NCCO2)C1 258252349 573208673 /nfs/dbraw/zinc/20/86/73/573208673.db2.gz AQBINTFXVVNOKU-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO CC[C@@H](C)[N@@H+]1C[C@@H](CN)CC1(C)C 259376664 573212602 /nfs/dbraw/zinc/21/26/02/573212602.db2.gz LAUCCYHBLSKGMH-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@H+]1C[C@@H](CN)CC1(C)C 259376664 573212608 /nfs/dbraw/zinc/21/26/08/573212608.db2.gz LAUCCYHBLSKGMH-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN1CC(C)(C)C1(C)C)C(N)=[NH2+] 690144457 573212691 /nfs/dbraw/zinc/21/26/91/573212691.db2.gz JXCGIMZXCLMNAM-QMMMGPOBSA-N 1 3 197.326 1.679 10 0 ADAEHO CCC([NH3+])(CC)CN[C@H]1CC12CC2 715670184 573212879 /nfs/dbraw/zinc/21/28/79/573212879.db2.gz ZGMYLNGUACLEHD-VIFPVBQESA-N 1 3 182.311 1.646 10 0 ADAEHO CCC(N)(CC)C[NH2+][C@H]1CC12CC2 715670184 573212885 /nfs/dbraw/zinc/21/28/85/573212885.db2.gz ZGMYLNGUACLEHD-VIFPVBQESA-N 1 3 182.311 1.646 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1c1oncc1CN 259373020 573212923 /nfs/dbraw/zinc/21/29/23/573212923.db2.gz VOPGKCNVGKNMCJ-SECBINFHSA-N 1 3 195.266 1.290 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1c1oncc1CN 259373020 573212927 /nfs/dbraw/zinc/21/29/27/573212927.db2.gz VOPGKCNVGKNMCJ-SECBINFHSA-N 1 3 195.266 1.290 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]([NH2+]C)C(C)C 259382362 573225484 /nfs/dbraw/zinc/22/54/84/573225484.db2.gz VWKJCJGRSLCVMM-WDEREUQCSA-N 1 3 186.343 1.722 10 0 ADAEHO CNC[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86012442 573225493 /nfs/dbraw/zinc/22/54/93/573225493.db2.gz XOHMQIDNISMPMM-BBBLOLIVSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]2)C[C@H]1C 86015554 573224874 /nfs/dbraw/zinc/22/48/74/573224874.db2.gz JCPHWFYUQBWGPK-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](N)c1ccc(Cl)cc1 259379338 573224878 /nfs/dbraw/zinc/22/48/78/573224878.db2.gz NDMSGAJACZBZGG-GMSGAONNSA-N 1 3 198.697 1.935 10 0 ADAEHO C[C@H]1C[C@@H](N2CC[C@H]([NH3+])C2)CC[C@H]1C 82838460 573224929 /nfs/dbraw/zinc/22/49/29/573224929.db2.gz OTSJBYNORMRUEK-RHYQMDGZSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC(CC)C[N@H+](C)C[C@@H](C)CN 129102827 573225059 /nfs/dbraw/zinc/22/50/59/573225059.db2.gz BCHZGOFGJXSHOU-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO CCC(CC)C[N@@H+](C)C[C@@H](C)CN 129102827 573225062 /nfs/dbraw/zinc/22/50/62/573225062.db2.gz BCHZGOFGJXSHOU-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO CN(C)[C@@H](C1CCC1)C1(C[NH3+])CC1 259380668 573225078 /nfs/dbraw/zinc/22/50/78/573225078.db2.gz GQFBTZWSNXVJRQ-JTQLQIEISA-N 1 3 182.311 1.456 10 0 ADAEHO C1CNCC[C@H]([NH2+][C@H]2C[C@H]2C2CC2)C1 716592099 573225083 /nfs/dbraw/zinc/22/50/83/573225083.db2.gz SOOLMSDJIIENBH-WOPDTQHZSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[NH2+]CC[C@H](N[C@H]2C[C@H]2C2CC2)C1 716592099 573225086 /nfs/dbraw/zinc/22/50/86/573225086.db2.gz SOOLMSDJIIENBH-WOPDTQHZSA-N 1 3 194.322 1.517 10 0 ADAEHO C[C@@H](CN)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86008545 573225173 /nfs/dbraw/zinc/22/51/73/573225173.db2.gz MZAQFGKAEOWCPH-LPEHRKFASA-N 1 3 170.300 1.169 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008545 573225176 /nfs/dbraw/zinc/22/51/76/573225176.db2.gz MZAQFGKAEOWCPH-LPEHRKFASA-N 1 3 170.300 1.169 10 0 ADAEHO C[NH2+][C@H]([C@H]1CCCNC1)C(C)(C)C 259382844 573225278 /nfs/dbraw/zinc/22/52/78/573225278.db2.gz LZLCTCDVXXSXKQ-VHSXEESVSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1CN[C@@H](C[C@H]2CCC[N@H+](C)C2)O1 258600243 573225515 /nfs/dbraw/zinc/22/55/15/573225515.db2.gz QRXNSISWCJHXDV-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@@H](C[C@H]2CCC[N@@H+](C)C2)O1 258600243 573225520 /nfs/dbraw/zinc/22/55/20/573225520.db2.gz QRXNSISWCJHXDV-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CNCc1ccc[nH]1 259038140 573225620 /nfs/dbraw/zinc/22/56/20/573225620.db2.gz QZUJJIGPSAQRKO-JTQLQIEISA-N 1 3 195.310 1.335 10 0 ADAEHO C[C@@H]([C@H]1CCC[N@H+](C)C1)N(C)C 259037924 573225643 /nfs/dbraw/zinc/22/56/43/573225643.db2.gz AQDGTXIJBXRNPW-UWVGGRQHSA-N 1 3 170.300 1.278 10 0 ADAEHO C[C@@H]([C@H]1CCC[N@@H+](C)C1)N(C)C 259037924 573225649 /nfs/dbraw/zinc/22/56/49/573225649.db2.gz AQDGTXIJBXRNPW-UWVGGRQHSA-N 1 3 170.300 1.278 10 0 ADAEHO CCN1CCC[C@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258599984 573225677 /nfs/dbraw/zinc/22/56/77/573225677.db2.gz QPEVYHNCUUPAJO-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1C[C@@](N)(C[NH3+])CC[C@H]1C 82837916 573225910 /nfs/dbraw/zinc/22/59/10/573225910.db2.gz FXZUJSBSNLCVFD-HRDYMLBCSA-N 1 3 156.273 1.099 10 0 ADAEHO CNC[C@@H]1CC[N@H+](CC(C)C)C1(C)C 259384060 573225919 /nfs/dbraw/zinc/22/59/19/573225919.db2.gz LITWAAGLRYWAOQ-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](CC(C)C)C1(C)C 259384060 573225924 /nfs/dbraw/zinc/22/59/24/573225924.db2.gz LITWAAGLRYWAOQ-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CN[C@@H](C[C@@H]2CCC[N@H+](C)C2)O1 258600250 573225970 /nfs/dbraw/zinc/22/59/70/573225970.db2.gz QRXNSISWCJHXDV-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@@H](C[C@@H]2CCC[N@@H+](C)C2)O1 258600250 573225976 /nfs/dbraw/zinc/22/59/76/573225976.db2.gz QRXNSISWCJHXDV-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1C[NH+](C[C@@H]2CCCNC2)C[C@@H]1C 86010061 573226125 /nfs/dbraw/zinc/22/61/25/573226125.db2.gz LZSXEXRRSUYFCV-SDDRHHMPSA-N 1 3 196.338 1.574 10 0 ADAEHO C[NH2+][C@H]([C@@H]1CCCNC1)C(C)(C)C 259382838 573226142 /nfs/dbraw/zinc/22/61/42/573226142.db2.gz LZLCTCDVXXSXKQ-NXEZZACHSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1C[NH+](CC(C)(C)[C@@H](C)N)C[C@H]1C 86012261 573226167 /nfs/dbraw/zinc/22/61/67/573226167.db2.gz GEBZITFYGQUHHW-GMTAPVOTSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2CN)C[C@@H]1C 86008580 573226212 /nfs/dbraw/zinc/22/62/12/573226212.db2.gz FADSMKZTJLVGEO-WRWGMCAJSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2CN)C[C@@H]1C 86008580 573226221 /nfs/dbraw/zinc/22/62/21/573226221.db2.gz FADSMKZTJLVGEO-WRWGMCAJSA-N 1 3 196.338 1.702 10 0 ADAEHO CN[C@H](c1cccc(C)c1)[C@H](C)C[NH3+] 259386060 573229868 /nfs/dbraw/zinc/22/98/68/573229868.db2.gz LFZRCQZEKCTMIY-PWSUYJOCSA-N 1 3 192.306 1.850 10 0 ADAEHO CNC[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 86012441 573230086 /nfs/dbraw/zinc/23/00/86/573230086.db2.gz XOHMQIDNISMPMM-GUBZILKMSA-N 1 3 170.300 1.182 10 0 ADAEHO N[C@@H](CC[NH3+])c1ccc2c(c1)CCC2 259386545 573230178 /nfs/dbraw/zinc/23/01/78/573230178.db2.gz NJPNKEQLZNDXGX-LBPRGKRZSA-N 1 3 190.290 1.524 10 0 ADAEHO CC(C)[C@@H](CN)[C@H]([NH3+])C1CCCC1 259385826 573230219 /nfs/dbraw/zinc/23/02/19/573230219.db2.gz LDQGVWZTXFLNCI-GHMZBOCLSA-N 1 3 184.327 1.735 10 0 ADAEHO CC[C@@H](NC)[C@@H]1CCCC[NH2+]1 259389944 573237084 /nfs/dbraw/zinc/23/70/84/573237084.db2.gz MHFOGWQHJVVVJY-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CN1CCC=C(CC[NH+](C)C)C1 258244722 573237517 /nfs/dbraw/zinc/23/75/17/573237517.db2.gz XKGGDMQWDVJONF-UHFFFAOYSA-N 1 3 168.284 1.200 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](CNC)[C@H]1C 259387593 573237714 /nfs/dbraw/zinc/23/77/14/573237714.db2.gz WRLNGUWWAKYPCH-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](CNC)[C@H]1C 259387593 573237718 /nfs/dbraw/zinc/23/77/18/573237718.db2.gz WRLNGUWWAKYPCH-AXFHLTTASA-N 1 3 184.327 1.715 10 0 ADAEHO CC1(C)[C@@H](N[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] 716613460 573239421 /nfs/dbraw/zinc/23/94/21/573239421.db2.gz MJECYXFDLYIGBB-ZDCRXTMVSA-N 1 3 194.322 1.500 10 0 ADAEHO C[C@@H]([NH3+])CCc1ncc2ccccn12 259387796 573239615 /nfs/dbraw/zinc/23/96/15/573239615.db2.gz HGNNXSRRXXBLBI-SECBINFHSA-N 1 3 189.262 1.614 10 0 ADAEHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308527026 573239900 /nfs/dbraw/zinc/23/99/00/573239900.db2.gz QULJPJXVTMXFQY-KXNHARMFSA-N 1 3 196.338 1.748 10 0 ADAEHO C[C@H]([N@@H+](C)C[C@H](C)CN)C(C)(C)C 42739360 573252255 /nfs/dbraw/zinc/25/22/55/573252255.db2.gz XRFIRSMJSVOCMM-ZJUUUORDSA-N 1 3 186.343 1.948 10 0 ADAEHO C[C@@H]1CO[C@](C)(C[C@@H]2CC[N@H+](C)C2)N1 258247924 573251605 /nfs/dbraw/zinc/25/16/05/573251605.db2.gz ALBUTNQTTHJOMH-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@](C)(C[C@@H]2CC[N@@H+](C)C2)N1 258247924 573251610 /nfs/dbraw/zinc/25/16/10/573251610.db2.gz ALBUTNQTTHJOMH-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@H](N(C)C)C1(C[NH3+])CC1 259391702 573251694 /nfs/dbraw/zinc/25/16/94/573251694.db2.gz GZSFAZCROUAVPP-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCc1ccc[nH]1 259044882 573251745 /nfs/dbraw/zinc/25/17/45/573251745.db2.gz RQIIFCVCSCILAI-JTQLQIEISA-N 1 3 195.310 1.132 10 0 ADAEHO CC[C@@H](C[NH3+])CNCCc1ccc[nH]1 259044882 573251748 /nfs/dbraw/zinc/25/17/48/573251748.db2.gz RQIIFCVCSCILAI-JTQLQIEISA-N 1 3 195.310 1.132 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749072 573251756 /nfs/dbraw/zinc/25/17/56/573251756.db2.gz PTCGYHQIMQCUOG-QGFIPJAISA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749072 573251759 /nfs/dbraw/zinc/25/17/59/573251759.db2.gz PTCGYHQIMQCUOG-QGFIPJAISA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@H](NCCC(C)(F)F)C1C[NH2+]C1 686242609 573251839 /nfs/dbraw/zinc/25/18/39/573251839.db2.gz FFECIZYWGVEOOA-ZETCQYMHSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@H]([NH2+]CCC(C)(F)F)C1CNC1 686242609 573251843 /nfs/dbraw/zinc/25/18/43/573251843.db2.gz FFECIZYWGVEOOA-ZETCQYMHSA-N 1 3 192.253 1.229 10 0 ADAEHO CSc1ccc([C@@H](N)CC[NH3+])cc1 259391964 573251933 /nfs/dbraw/zinc/25/19/33/573251933.db2.gz NQGICQMIDDIOBL-JTQLQIEISA-N 1 3 196.319 1.757 10 0 ADAEHO C[C@@H]([NH2+][C@H]1CC=CCC1)C1CNC1 686242560 573251943 /nfs/dbraw/zinc/25/19/43/573251943.db2.gz BVSTXXMZHBEVRK-KOLCDFICSA-N 1 3 180.295 1.293 10 0 ADAEHO CN(C)[C@H](C1CCCC1)[C@H]1CC[NH2+]C1 259391662 573251944 /nfs/dbraw/zinc/25/19/44/573251944.db2.gz GZCJPPKTFXSCGG-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749390 573252211 /nfs/dbraw/zinc/25/22/11/573252211.db2.gz OZFBTYWYRNXTQO-OFLUOSHYSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749390 573252217 /nfs/dbraw/zinc/25/22/17/573252217.db2.gz OZFBTYWYRNXTQO-OFLUOSHYSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1CC(C2CC2)C1 714666844 573271084 /nfs/dbraw/zinc/27/10/84/573271084.db2.gz ZLZILXBCEBYPDJ-OIKLOGQESA-N 1 3 196.338 1.750 10 0 ADAEHO CCCCC[NH2+]CC(C)(C)CN 258616498 573271197 /nfs/dbraw/zinc/27/11/97/573271197.db2.gz BSSGQCSTLZUSPS-UHFFFAOYSA-N 1 3 172.316 1.751 10 0 ADAEHO C[C@H](C[NH3+])c1coc([C@@H]2CCCN2)n1 258273198 573271516 /nfs/dbraw/zinc/27/15/16/573271516.db2.gz XZRRMPGBGZIXPQ-SFYZADRCSA-N 1 3 195.266 1.161 10 0 ADAEHO CCCC1CN(CC(C)(C)C[NH3+])C1 129233224 573272061 /nfs/dbraw/zinc/27/20/61/573272061.db2.gz FWJIQQCONFQHMM-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO CCCC1C[NH+](CC(C)(C)CN)C1 129233224 573272067 /nfs/dbraw/zinc/27/20/67/573272067.db2.gz FWJIQQCONFQHMM-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO Cc1sc(C)c(CN(C)C)c1C[NH3+] 238329288 573272099 /nfs/dbraw/zinc/27/20/99/573272099.db2.gz ASQRKQBCXZNDHX-UHFFFAOYSA-N 1 3 198.335 1.885 10 0 ADAEHO CCN[C@@H](C)CC[NH2+]CCCCF 393579637 573272323 /nfs/dbraw/zinc/27/23/23/573272323.db2.gz FLHFKZBMRWSMPD-JTQLQIEISA-N 1 3 190.306 1.714 10 0 ADAEHO CC[NH2+][C@@H](C)CCNCCCCF 393579637 573272329 /nfs/dbraw/zinc/27/23/29/573272329.db2.gz FLHFKZBMRWSMPD-JTQLQIEISA-N 1 3 190.306 1.714 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCN[C@H]1CC1(C)C 129252726 573273588 /nfs/dbraw/zinc/27/35/88/573273588.db2.gz GSZWFYFWRRSXOP-UWVGGRQHSA-N 1 3 184.327 1.748 10 0 ADAEHO CC(C)[C@@H]([NH3+])CCN[C@@H]1CC1(C)C 129252288 573274028 /nfs/dbraw/zinc/27/40/28/573274028.db2.gz GSZWFYFWRRSXOP-VHSXEESVSA-N 1 3 184.327 1.748 10 0 ADAEHO CCN[C@H](C)CC[NH2+]CCCCF 393579638 573274262 /nfs/dbraw/zinc/27/42/62/573274262.db2.gz FLHFKZBMRWSMPD-SNVBAGLBSA-N 1 3 190.306 1.714 10 0 ADAEHO CC[NH2+][C@H](C)CCNCCCCF 393579638 573274265 /nfs/dbraw/zinc/27/42/65/573274265.db2.gz FLHFKZBMRWSMPD-SNVBAGLBSA-N 1 3 190.306 1.714 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CCNC(C)(C)C1 258616615 573274849 /nfs/dbraw/zinc/27/48/49/573274849.db2.gz BVETZTMSVVFLDB-SNVBAGLBSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)C[NH2+][C@H]1CCNC(C)(C)C1 258616613 573276442 /nfs/dbraw/zinc/27/64/42/573276442.db2.gz BVETZTMSVVFLDB-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO N[C@H](C[NH+]1CCCCC1)C1CCCC1 74240770 573276447 /nfs/dbraw/zinc/27/64/47/573276447.db2.gz LDUYNFVNULIPCM-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO CCCCCCN[C@@H](C)C[NH2+]C 162164452 573276492 /nfs/dbraw/zinc/27/64/92/573276492.db2.gz BNHNBQHJSMLMKU-JTQLQIEISA-N 1 3 172.316 1.764 10 0 ADAEHO CC1(C[NH2+]C2CC(C3CC3)C2)CNC1 714667500 573276549 /nfs/dbraw/zinc/27/65/49/573276549.db2.gz DGIBJTUAPRQXFE-UHFFFAOYSA-N 1 3 194.322 1.374 10 0 ADAEHO CC1(CNC2CC(C3CC3)C2)C[NH2+]C1 714667500 573276551 /nfs/dbraw/zinc/27/65/51/573276551.db2.gz DGIBJTUAPRQXFE-UHFFFAOYSA-N 1 3 194.322 1.374 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](CN)C1(C)C 259405018 573291610 /nfs/dbraw/zinc/29/16/10/573291610.db2.gz MMYPJSBLCKBSDV-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](CN)C1(C)C 259405018 573291613 /nfs/dbraw/zinc/29/16/13/573291613.db2.gz MMYPJSBLCKBSDV-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)[C@H](CN)C(C)C 259073459 573291633 /nfs/dbraw/zinc/29/16/33/573291633.db2.gz BZJKCKYBJMKCDM-VXGBXAGGSA-N 1 3 198.354 1.996 10 0 ADAEHO CN[C@@H]1C=C[C@H](C(C)C)[C@@H]2C[NH2+]C[C@@H]21 238325721 573291716 /nfs/dbraw/zinc/29/17/16/573291716.db2.gz LYKNTLRUUFDJEK-NOOOWODRSA-N 1 3 194.322 1.252 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](NC)c1cccs1 259071845 573291837 /nfs/dbraw/zinc/29/18/37/573291837.db2.gz BZBMBICBSGOOIA-SCZZXKLOSA-N 1 3 198.335 1.994 10 0 ADAEHO [NH3+]C[C@H](CNC1CC1)Cc1ccco1 258490618 573291953 /nfs/dbraw/zinc/29/19/53/573291953.db2.gz ZJQHYWDFJOMUMJ-SECBINFHSA-N 1 3 194.278 1.149 10 0 ADAEHO NC[C@H](C[NH2+]C1CC1)Cc1ccco1 258490618 573291957 /nfs/dbraw/zinc/29/19/57/573291957.db2.gz ZJQHYWDFJOMUMJ-SECBINFHSA-N 1 3 194.278 1.149 10 0 ADAEHO C[NH2+][C@@H](C1CCCC1)[C@H](CN)C(C)C 259073452 573294937 /nfs/dbraw/zinc/29/49/37/573294937.db2.gz BZJKCKYBJMKCDM-NEPJUHHUSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@@H]1C[C@H]([C@@H]2CCCCN2C)C[NH2+]1 257996836 573294791 /nfs/dbraw/zinc/29/47/91/573294791.db2.gz ADBRCDHCFIOPDV-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH2+]CCCN1C[C@@H]2CCCCC[C@@H]21 308856874 573294846 /nfs/dbraw/zinc/29/48/46/573294846.db2.gz QXGCZGXOKLTHEJ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 308856874 573294854 /nfs/dbraw/zinc/29/48/54/573294854.db2.gz QXGCZGXOKLTHEJ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@H+]1C[C@@H]2CCCCC[C@@H]21 308856874 573294858 /nfs/dbraw/zinc/29/48/58/573294858.db2.gz QXGCZGXOKLTHEJ-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](NC)c1cccs1 259071843 573295885 /nfs/dbraw/zinc/29/58/85/573295885.db2.gz BZBMBICBSGOOIA-PSASIEDQSA-N 1 3 198.335 1.994 10 0 ADAEHO [NH3+]C[C@@H](CNC1CC1)Cc1ccco1 258490621 573295961 /nfs/dbraw/zinc/29/59/61/573295961.db2.gz ZJQHYWDFJOMUMJ-VIFPVBQESA-N 1 3 194.278 1.149 10 0 ADAEHO CC[C@@H](C)[NH2+][C@H]1CCNC(C)(C)C1 258621882 573295962 /nfs/dbraw/zinc/29/59/62/573295962.db2.gz CIDATTVFYKGITF-ZJUUUORDSA-N 1 3 184.327 1.905 10 0 ADAEHO NC[C@@H](C[NH2+]C1CC1)Cc1ccco1 258490621 573295965 /nfs/dbraw/zinc/29/59/65/573295965.db2.gz ZJQHYWDFJOMUMJ-VIFPVBQESA-N 1 3 194.278 1.149 10 0 ADAEHO CC(C)(C)[C@H]([NH3+])C1(CN)CCC1 259407238 573296016 /nfs/dbraw/zinc/29/60/16/573296016.db2.gz MBLXEKQXIJQLKC-QMMMGPOBSA-N 1 3 170.300 1.489 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]CC2CC=CC2)C1 717330932 573296172 /nfs/dbraw/zinc/29/61/72/573296172.db2.gz NMERUGISOUGVKG-WDEREUQCSA-N 1 3 180.295 1.422 10 0 ADAEHO C[NH2+]CCCN1C[C@@H]2CCCCC[C@H]21 308856872 573298622 /nfs/dbraw/zinc/29/86/22/573298622.db2.gz QXGCZGXOKLTHEJ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@@H+]1C[C@@H]2CCCCC[C@H]21 308856872 573298629 /nfs/dbraw/zinc/29/86/29/573298629.db2.gz QXGCZGXOKLTHEJ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@H+]1C[C@@H]2CCCCC[C@H]21 308856872 573298630 /nfs/dbraw/zinc/29/86/30/573298630.db2.gz QXGCZGXOKLTHEJ-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]CCCN1C[C@H]2CCCCC[C@@H]21 308856870 573298932 /nfs/dbraw/zinc/29/89/32/573298932.db2.gz QXGCZGXOKLTHEJ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@@H+]1C[C@H]2CCCCC[C@@H]21 308856870 573298937 /nfs/dbraw/zinc/29/89/37/573298937.db2.gz QXGCZGXOKLTHEJ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@H+]1C[C@H]2CCCCC[C@@H]21 308856870 573298943 /nfs/dbraw/zinc/29/89/43/573298943.db2.gz QXGCZGXOKLTHEJ-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)[C@@H]1C[N@H+](C)CCCN1 82941211 573298944 /nfs/dbraw/zinc/29/89/44/573298944.db2.gz SRDRFNMVHYTGBI-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)[C@@H]1C[N@@H+](C)CCCN1 82941211 573298950 /nfs/dbraw/zinc/29/89/50/573298950.db2.gz SRDRFNMVHYTGBI-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]CCCN1C[C@H]2CCCCC[C@H]21 308856876 573299134 /nfs/dbraw/zinc/29/91/34/573299134.db2.gz QXGCZGXOKLTHEJ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@@H+]1C[C@H]2CCCCC[C@H]21 308856876 573299140 /nfs/dbraw/zinc/29/91/40/573299140.db2.gz QXGCZGXOKLTHEJ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCCC[N@H+]1C[C@H]2CCCCC[C@H]21 308856876 573299145 /nfs/dbraw/zinc/29/91/45/573299145.db2.gz QXGCZGXOKLTHEJ-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]CC2CC=CC2)C1 717330931 573299290 /nfs/dbraw/zinc/29/92/90/573299290.db2.gz NMERUGISOUGVKG-QWRGUYRKSA-N 1 3 180.295 1.422 10 0 ADAEHO c1cc2[nH]c([C@H]3CC[NH2+]C3)cc2cn1 74278809 573299402 /nfs/dbraw/zinc/29/94/02/573299402.db2.gz USFPURCOTADZDN-QMMMGPOBSA-N 1 3 187.246 1.640 10 0 ADAEHO c1cc2[nH]c([C@@H]3CC[NH2+]C3)cc2cn1 74278806 573302218 /nfs/dbraw/zinc/30/22/18/573302218.db2.gz USFPURCOTADZDN-MRVPVSSYSA-N 1 3 187.246 1.640 10 0 ADAEHO CCCCC[N@@H+]1CCC[C@@H]1CCN 259411043 573302807 /nfs/dbraw/zinc/30/28/07/573302807.db2.gz YPBWERGCKQZURO-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@H+]1CCC[C@@H]1CCN 259411043 573302812 /nfs/dbraw/zinc/30/28/12/573302812.db2.gz YPBWERGCKQZURO-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CN1C[C@@H]2CCC[C@@H]2[NH2+]CC1(C)C 74300022 573303031 /nfs/dbraw/zinc/30/30/31/573303031.db2.gz YTXZYRFYOPPZOX-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+]1C[C@@H]2CCC[C@@H]2NCC1(C)C 74300022 573303037 /nfs/dbraw/zinc/30/30/37/573303037.db2.gz YTXZYRFYOPPZOX-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1C[C@@H]2CCC[C@@H]2NCC1(C)C 74300022 573303043 /nfs/dbraw/zinc/30/30/43/573303043.db2.gz YTXZYRFYOPPZOX-UWVGGRQHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H](CN)[C@H]([NH3+])C1CCCCC1 259409178 573303310 /nfs/dbraw/zinc/30/33/10/573303310.db2.gz OMFAMRKFMJRJET-SCZZXKLOSA-N 1 3 170.300 1.489 10 0 ADAEHO CN1C[C@H]2CCC[C@@H]2[NH2+]CC1(C)C 74300019 573303398 /nfs/dbraw/zinc/30/33/98/573303398.db2.gz YTXZYRFYOPPZOX-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+]1C[C@H]2CCC[C@@H]2NCC1(C)C 74300019 573303403 /nfs/dbraw/zinc/30/34/03/573303403.db2.gz YTXZYRFYOPPZOX-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@H+]1C[C@H]2CCC[C@@H]2NCC1(C)C 74300019 573303409 /nfs/dbraw/zinc/30/34/09/573303409.db2.gz YTXZYRFYOPPZOX-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@H](CNc1ccncc1)C[NH2+]C 259080759 573313952 /nfs/dbraw/zinc/31/39/52/573313952.db2.gz VGJMIAZRHXOIOL-JTQLQIEISA-N 1 3 193.294 1.739 10 0 ADAEHO CC(C)C[C@@H]1C[N@H+](C)[C@H](C)CCN1 82942796 573313205 /nfs/dbraw/zinc/31/32/05/573313205.db2.gz FJQPHPWKQQQYBX-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)CN1CCCC[NH2+][C@@H](C)C1 259412478 573313214 /nfs/dbraw/zinc/31/32/14/573313214.db2.gz MZGFIRKPULMGIA-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[C@@H]1C[N@@H+](C)[C@H](C)CCN1 82942796 573313215 /nfs/dbraw/zinc/31/32/15/573313215.db2.gz FJQPHPWKQQQYBX-GHMZBOCLSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CC[NH2+][C@H](C2CC2)CN1C 82943552 573313414 /nfs/dbraw/zinc/31/34/14/573313414.db2.gz QRLSRECASHWWGT-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCN[C@H](C2CC2)C[N@@H+]1C 82943552 573313420 /nfs/dbraw/zinc/31/34/20/573313420.db2.gz QRLSRECASHWWGT-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CCN[C@H](C2CC2)C[N@H+]1C 82943552 573313426 /nfs/dbraw/zinc/31/34/26/573313426.db2.gz QRLSRECASHWWGT-WPRPVWTQSA-N 1 3 168.284 1.079 10 0 ADAEHO CCC[C@@H]1C[N@H+](C)CCCN1 82941602 573313620 /nfs/dbraw/zinc/31/36/20/573313620.db2.gz COJCAUQHFRGHAB-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[C@@H]1C[N@@H+](C)CCCN1 82941602 573313625 /nfs/dbraw/zinc/31/36/25/573313625.db2.gz COJCAUQHFRGHAB-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H](C)CN1CCC[NH2+][C@H](C)C1 82941350 573313698 /nfs/dbraw/zinc/31/36/98/573313698.db2.gz REFUNRQPJWFPEJ-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+][C@H](C)c1csc(CN)c1 258625827 573313749 /nfs/dbraw/zinc/31/37/49/573313749.db2.gz XDZRZFCESQBTKZ-ZCFIWIBFSA-N 1 3 170.281 1.487 10 0 ADAEHO CC[C@@H]1C[N@H+](C)[C@H](C)CCN1 82943392 573313779 /nfs/dbraw/zinc/31/37/79/573313779.db2.gz WQDGRMYILVAFDX-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@@H]1C[N@@H+](C)[C@H](C)CCN1 82943392 573313781 /nfs/dbraw/zinc/31/37/81/573313781.db2.gz WQDGRMYILVAFDX-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H](C[NH2+]C1CC(N)C1)C1CC1 132529576 573313788 /nfs/dbraw/zinc/31/37/88/573313788.db2.gz XGKICDNECNPKSR-WFRXLMHJSA-N 1 3 168.284 1.112 10 0 ADAEHO C[N@@H+]1CCCN[C@](C)(C2CC2)C1 82941730 573313829 /nfs/dbraw/zinc/31/38/29/573313829.db2.gz KOUHPQHCWSLGCO-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1CCCN[C@](C)(C2CC2)C1 82941730 573313832 /nfs/dbraw/zinc/31/38/32/573313832.db2.gz KOUHPQHCWSLGCO-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[C@H]1C[N@H+](CC)[C@H](C)CCN1 82943069 573315137 /nfs/dbraw/zinc/31/51/37/573315137.db2.gz NTUWORPEMOZQQI-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[C@H]1CN(C)[C@H](C)CC[NH2+]1 82942310 573314518 /nfs/dbraw/zinc/31/45/18/573314518.db2.gz SCYOPZAWZONRQJ-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C)[C@H](C)CCN1 82942310 573314521 /nfs/dbraw/zinc/31/45/21/573314521.db2.gz SCYOPZAWZONRQJ-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C)[C@H](C)CCN1 82942310 573314527 /nfs/dbraw/zinc/31/45/27/573314527.db2.gz SCYOPZAWZONRQJ-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CCC1(CC)CN(C)CCC[NH2+]1 82942211 573314559 /nfs/dbraw/zinc/31/45/59/573314559.db2.gz BYLWHZLOZKZPSL-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC1(CC)C[N@H+](C)CCCN1 82942211 573314565 /nfs/dbraw/zinc/31/45/65/573314565.db2.gz BYLWHZLOZKZPSL-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC1(CC)C[N@@H+](C)CCCN1 82942211 573314568 /nfs/dbraw/zinc/31/45/68/573314568.db2.gz BYLWHZLOZKZPSL-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)[C@@H]1CN(C)[C@@H](C)CC[NH2+]1 82942308 573314635 /nfs/dbraw/zinc/31/46/35/573314635.db2.gz SCYOPZAWZONRQJ-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)[C@@H](C)CCN1 82942308 573314640 /nfs/dbraw/zinc/31/46/40/573314640.db2.gz SCYOPZAWZONRQJ-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)[C@@H](C)CCN1 82942308 573314646 /nfs/dbraw/zinc/31/46/46/573314646.db2.gz SCYOPZAWZONRQJ-UWVGGRQHSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](c1cc[nH]c1)N(C)C 259413833 573314782 /nfs/dbraw/zinc/31/47/82/573314782.db2.gz HUKMXWYVWBLBAM-WCBMZHEXSA-N 1 3 181.283 1.212 10 0 ADAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1C 82943297 573314856 /nfs/dbraw/zinc/31/48/56/573314856.db2.gz STQBFOQHWHBNKE-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CCN[C@H](C(C)(C)C)C[N@H+]1C 82943297 573314858 /nfs/dbraw/zinc/31/48/58/573314858.db2.gz STQBFOQHWHBNKE-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1C 82943297 573314861 /nfs/dbraw/zinc/31/48/61/573314861.db2.gz STQBFOQHWHBNKE-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CCC[C@H]1C[N@H+](C)[C@H](C)CCN1 82943112 573314892 /nfs/dbraw/zinc/31/48/92/573314892.db2.gz OXCYVZFFHFMMEK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[C@H]1C[N@@H+](C)[C@H](C)CCN1 82943112 573314895 /nfs/dbraw/zinc/31/48/95/573314895.db2.gz OXCYVZFFHFMMEK-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@@H+]1CCCN[C@@H](C2CC2)C1 82942023 573314935 /nfs/dbraw/zinc/31/49/35/573314935.db2.gz VGVRWVXAVTVYRD-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@H+]1CCCN[C@@H](C2CC2)C1 82942023 573314939 /nfs/dbraw/zinc/31/49/39/573314939.db2.gz VGVRWVXAVTVYRD-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@H](CCN)[NH+]1C[C@H]2CCC[C@@H]2C1 126071786 573314958 /nfs/dbraw/zinc/31/49/58/573314958.db2.gz YFZHHNVAHNALGI-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)c1csc([C@H]2CC[NH2+]C2)n1 258253588 573315018 /nfs/dbraw/zinc/31/50/18/573315018.db2.gz WXFXFTHSMLLZSD-RQJHMYQMSA-N 1 3 197.307 1.240 10 0 ADAEHO Cc1[nH]c2ccncc2c1CC[NH3+] 74308590 573315046 /nfs/dbraw/zinc/31/50/46/573315046.db2.gz FVRDXQRBZUUFBY-UHFFFAOYSA-N 1 3 175.235 1.373 10 0 ADAEHO CCC[C@H]1C[N@H+](C)CCCN1 82941604 573315080 /nfs/dbraw/zinc/31/50/80/573315080.db2.gz COJCAUQHFRGHAB-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[C@H]1C[N@@H+](C)CCCN1 82941604 573315083 /nfs/dbraw/zinc/31/50/83/573315083.db2.gz COJCAUQHFRGHAB-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H](C)CN1CCC[NH2+][C@H](C)C1 82941353 573315108 /nfs/dbraw/zinc/31/51/08/573315108.db2.gz REFUNRQPJWFPEJ-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](CN)[C@H](CC(C)C)[NH+](C)C 259418845 573324854 /nfs/dbraw/zinc/32/48/54/573324854.db2.gz HXIBUCRKFLHPQD-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](CC(C)C)N(C)C 259418845 573324857 /nfs/dbraw/zinc/32/48/57/573324857.db2.gz HXIBUCRKFLHPQD-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[NH2+]CC[C@@H]1CCCCN1 258630258 573324229 /nfs/dbraw/zinc/32/42/29/573324229.db2.gz CZLACSMPNYKOHU-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO CC[C@@H](CN)[C@@H](CC(C)C)[NH+](C)C 259418846 573324443 /nfs/dbraw/zinc/32/44/43/573324443.db2.gz HXIBUCRKFLHPQD-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](CC(C)C)N(C)C 259418846 573324448 /nfs/dbraw/zinc/32/44/48/573324448.db2.gz HXIBUCRKFLHPQD-WDEREUQCSA-N 1 3 186.343 1.948 10 0 ADAEHO C[NH2+][C@H]1[C@H]2CC[C@@H]1[C@@H](N(C)C)CC2 238342703 573325587 /nfs/dbraw/zinc/32/55/87/573325587.db2.gz HTFNAGUKERNJSG-VLEAKVRGSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]([NH3+])CNC1C(C)(C)C1(C)C 86241171 573326275 /nfs/dbraw/zinc/32/62/75/573326275.db2.gz CHLRBWFLHIPDIA-SSDOTTSWSA-N 1 3 170.300 1.358 10 0 ADAEHO CC1(C)C(NC[C@@H]2CC[NH2+]C2)C1(C)C 86241143 573326428 /nfs/dbraw/zinc/32/64/28/573326428.db2.gz CZZKOUQHEFWNKB-SECBINFHSA-N 1 3 196.338 1.620 10 0 ADAEHO C[NH2+]Cc1cccc(CN2CCC2)c1 308549275 573326781 /nfs/dbraw/zinc/32/67/81/573326781.db2.gz QYDDAWWGIVNLAI-UHFFFAOYSA-N 1 3 190.290 1.612 10 0 ADAEHO Cc1nc(CC[NH3+])c(C(C)C)[nH]1 74335036 573326943 /nfs/dbraw/zinc/32/69/43/573326943.db2.gz HMKPAOAYTLBMJE-UHFFFAOYSA-N 1 3 167.256 1.343 10 0 ADAEHO CC1(C)C([N@@H+]2CC[C@H](CN)C2)C1(C)C 86240425 573326977 /nfs/dbraw/zinc/32/69/77/573326977.db2.gz RAENWKWXIAJLCN-SECBINFHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)C([N@H+]2CC[C@H](CN)C2)C1(C)C 86240425 573326983 /nfs/dbraw/zinc/32/69/83/573326983.db2.gz RAENWKWXIAJLCN-SECBINFHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)C(N2CC[C@H](C[NH3+])C2)C1(C)C 86240425 573326988 /nfs/dbraw/zinc/32/69/88/573326988.db2.gz RAENWKWXIAJLCN-SECBINFHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@H](CN)[C@@H](CC(C)C)[NH+](C)C 259418841 573328577 /nfs/dbraw/zinc/32/85/77/573328577.db2.gz HXIBUCRKFLHPQD-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](CC(C)C)N(C)C 259418841 573328582 /nfs/dbraw/zinc/32/85/82/573328582.db2.gz HXIBUCRKFLHPQD-GHMZBOCLSA-N 1 3 186.343 1.948 10 0 ADAEHO CC1(C)C(CN2CC[C@H]([NH3+])C2)C1(C)C 86240368 573328604 /nfs/dbraw/zinc/32/86/04/573328604.db2.gz ICBKIZAYGIWFJZ-VIFPVBQESA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H](CN)C[NH2+]CCC1=CCCC1 308349070 573328709 /nfs/dbraw/zinc/32/87/09/573328709.db2.gz XKZKWOWEKHDTAH-SNVBAGLBSA-N 1 3 182.311 1.671 10 0 ADAEHO CC1(C)C([N@@H+]2CC[C@@H](CN)C2)C1(C)C 86240426 573329121 /nfs/dbraw/zinc/32/91/21/573329121.db2.gz RAENWKWXIAJLCN-VIFPVBQESA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)C([N@H+]2CC[C@@H](CN)C2)C1(C)C 86240426 573329127 /nfs/dbraw/zinc/32/91/27/573329127.db2.gz RAENWKWXIAJLCN-VIFPVBQESA-N 1 3 196.338 1.702 10 0 ADAEHO CC1(C)C(N2CC[C@@H](C[NH3+])C2)C1(C)C 86240426 573329133 /nfs/dbraw/zinc/32/91/33/573329133.db2.gz RAENWKWXIAJLCN-VIFPVBQESA-N 1 3 196.338 1.702 10 0 ADAEHO C[NH2+]CC[C@@H](N)C1CCCC1 259085081 573329246 /nfs/dbraw/zinc/32/92/46/573329246.db2.gz ADFVVWQKXQTTLA-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO CNCC[C@@H]([NH3+])C1CCCC1 259085081 573329250 /nfs/dbraw/zinc/32/92/50/573329250.db2.gz ADFVVWQKXQTTLA-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+]CC[C@H](N)C1CCCC1 259085083 573329567 /nfs/dbraw/zinc/32/95/67/573329567.db2.gz ADFVVWQKXQTTLA-VIFPVBQESA-N 1 3 156.273 1.113 10 0 ADAEHO CNCC[C@H]([NH3+])C1CCCC1 259085083 573329574 /nfs/dbraw/zinc/32/95/74/573329574.db2.gz ADFVVWQKXQTTLA-VIFPVBQESA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@H]([NH3+])CNC1C(C)(C)C1(C)C 86241170 573329590 /nfs/dbraw/zinc/32/95/90/573329590.db2.gz CHLRBWFLHIPDIA-ZETCQYMHSA-N 1 3 170.300 1.358 10 0 ADAEHO CC1(C)C(NC[C@H]2CC[NH2+]C2)C1(C)C 86241144 573329752 /nfs/dbraw/zinc/32/97/52/573329752.db2.gz CZZKOUQHEFWNKB-VIFPVBQESA-N 1 3 196.338 1.620 10 0 ADAEHO CCC[C@@H](N)C(C)(C)[NH+](C)C 74342085 573329812 /nfs/dbraw/zinc/32/98/12/573329812.db2.gz FDHVLYUYZHWNQU-MRVPVSSYSA-N 1 3 158.289 1.454 10 0 ADAEHO CC(C)C[C@H](N)[C@@H](C)[NH+](C)C 74342070 573331594 /nfs/dbraw/zinc/33/15/94/573331594.db2.gz XMJXZZPNMHDVQP-BDAKNGLRSA-N 1 3 158.289 1.310 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+][C@H]1CCC1(C)C 308560527 573334403 /nfs/dbraw/zinc/33/44/03/573334403.db2.gz XAIXZIDFHIGMSH-QWRGUYRKSA-N 1 3 198.354 1.996 10 0 ADAEHO CCCC1([NH3+])CCN(C(C)C)CC1 37717122 573334862 /nfs/dbraw/zinc/33/48/62/573334862.db2.gz VYKOVSMBTKMNCY-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@H]1CN[C@H](C)CC[NH2+]1 82961019 573338053 /nfs/dbraw/zinc/33/80/53/573338053.db2.gz GTJPRZKEEGAEPY-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@@H]1C[NH2+][C@H](C)CCN1 82961019 573338056 /nfs/dbraw/zinc/33/80/56/573338056.db2.gz GTJPRZKEEGAEPY-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)CC(C)(C)N 259423419 573338282 /nfs/dbraw/zinc/33/82/82/573338282.db2.gz NOMLTDLRDXNWKO-VIFPVBQESA-N 1 3 172.316 1.748 10 0 ADAEHO C[NH2+]C[C@H](CN)C1CCCCC1 258288792 573342065 /nfs/dbraw/zinc/34/20/65/573342065.db2.gz NRYDPRLEPLKTBY-JTQLQIEISA-N 1 3 170.300 1.361 10 0 ADAEHO CC(C)N1CC[C@H]([C@@]2(C)CCC[NH2+]2)C1 258306109 573342139 /nfs/dbraw/zinc/34/21/39/573342139.db2.gz VCDSSRSLUNGXSM-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](C)N(CC[NH3+])c1ccncc1 308554697 573342168 /nfs/dbraw/zinc/34/21/68/573342168.db2.gz UNQYWXYMJOCVDU-SNVBAGLBSA-N 1 3 193.294 1.645 10 0 ADAEHO C[C@H]1CCN1[C@@H](C[NH3+])C1CCCC1 235562983 573342582 /nfs/dbraw/zinc/34/25/82/573342582.db2.gz MDCBFWSRVPVRDC-ONGXEEELSA-N 1 3 182.311 1.598 10 0 ADAEHO CCOc1ccc([C@@H](N)CC[NH3+])cc1 259087104 573342625 /nfs/dbraw/zinc/34/26/25/573342625.db2.gz AGQBRQGKAFDLQI-NSHDSACASA-N 1 3 194.278 1.434 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN1CCCCC1 86272520 573347862 /nfs/dbraw/zinc/34/78/62/573347862.db2.gz RQSVJKCROAEWLM-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CCCCC[C@@H](C[NH3+])NC1CC1 50271102 573347309 /nfs/dbraw/zinc/34/73/09/573347309.db2.gz POZSPCUSVAQVRZ-JTQLQIEISA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CNC(C)(C)C 86272713 573347411 /nfs/dbraw/zinc/34/74/11/573347411.db2.gz KBIDHTRYLBJUQE-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO CN(CCC1CC1)CC[C@H]1CCC[NH2+]1 308556322 573347440 /nfs/dbraw/zinc/34/74/40/573347440.db2.gz ZNVZQQOIPZXRRP-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CNC(C)(C)C 86272711 573347453 /nfs/dbraw/zinc/34/74/53/573347453.db2.gz KBIDHTRYLBJUQE-BDAKNGLRSA-N 1 3 170.300 1.373 10 0 ADAEHO Cc1cc([C@@H](N)[C@@H](C)C[NH3+])ccc1F 259092217 573347739 /nfs/dbraw/zinc/34/77/39/573347739.db2.gz ALCSCZNITGAKDO-KWQFWETISA-N 1 3 196.269 1.729 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CNC(C)(C)C 86272712 573347764 /nfs/dbraw/zinc/34/77/64/573347764.db2.gz KBIDHTRYLBJUQE-IUCAKERBSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1CCCN(C[C@@H]2CC[NH2+][C@@H]2C)C1 86272471 573347922 /nfs/dbraw/zinc/34/79/22/573347922.db2.gz LAYOECOWYFUBOG-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[NH2+]CC[C@H](N)C(C)(C)C 129596912 573348079 /nfs/dbraw/zinc/34/80/79/573348079.db2.gz WYNMYDBQAZSVPT-VIFPVBQESA-N 1 3 172.316 1.750 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@@H]1CNC1CCC1 86273060 573348113 /nfs/dbraw/zinc/34/81/13/573348113.db2.gz PHVGAMZOYADROU-DTWKUNHWSA-N 1 3 168.284 1.127 10 0 ADAEHO Cc1ccc(C)c([C@H](N)[C@H](C)C[NH3+])c1 259425477 573348471 /nfs/dbraw/zinc/34/84/71/573348471.db2.gz PFBSCKMZJKEDNH-ZYHUDNBSSA-N 1 3 192.306 1.898 10 0 ADAEHO CC[NH2+]CC[C@H](N)C(C)(C)C 129601226 573348550 /nfs/dbraw/zinc/34/85/50/573348550.db2.gz BTWAERPFVOZTAP-QMMMGPOBSA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1CC1CCC1 86303512 573357460 /nfs/dbraw/zinc/35/74/60/573357460.db2.gz DYWZXMRBYIZJLY-NHCYSSNCSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1CC1CCC1 86303512 573357464 /nfs/dbraw/zinc/35/74/64/573357464.db2.gz DYWZXMRBYIZJLY-NHCYSSNCSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH+](C)C)C(C)(C)C 259426172 573357638 /nfs/dbraw/zinc/35/76/38/573357638.db2.gz IGJYOEHRLMVPIJ-UWVGGRQHSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](N(C)C)C(C)(C)C 259426172 573357646 /nfs/dbraw/zinc/35/76/46/573357646.db2.gz IGJYOEHRLMVPIJ-UWVGGRQHSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[NH2+][C@H](C)CCNCCC(F)F 308365284 573357663 /nfs/dbraw/zinc/35/76/63/573357663.db2.gz HDHXDYUUTXTOLG-MRVPVSSYSA-N 1 3 194.269 1.619 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)C1CC1 86311492 573361579 /nfs/dbraw/zinc/36/15/79/573361579.db2.gz IURTYLNQNBHZBG-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)C1CC1 86311492 573361583 /nfs/dbraw/zinc/36/15/83/573361583.db2.gz IURTYLNQNBHZBG-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](C)N(C)C1CC1 86311492 573361587 /nfs/dbraw/zinc/36/15/87/573361587.db2.gz IURTYLNQNBHZBG-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[NH2+][C@@](C)(C2CCN(C)CC2)O1 258301187 573361653 /nfs/dbraw/zinc/36/16/53/573361653.db2.gz CMFVEIDFIKQXSU-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)(C)C[C@@H]1C[C@@H](N)CC[NH2+]1 107122999 573361668 /nfs/dbraw/zinc/36/16/68/573361668.db2.gz IPBPEUQXQGXTMM-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)C[C@@H]1C[C@@H]([NH3+])CCN1 107122999 573361674 /nfs/dbraw/zinc/36/16/74/573361674.db2.gz IPBPEUQXQGXTMM-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[NH2+][C@H]1CCN2CCC1CC2 107121776 573361743 /nfs/dbraw/zinc/36/17/43/573361743.db2.gz JJUDBWHDDBZTBN-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]([C@H](C)CN)[NH+]1CCCCCC1 86311163 573361766 /nfs/dbraw/zinc/36/17/66/573361766.db2.gz IOAULBHQFSGDFZ-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)(C)C[C@H]1C[C@H](N)CC[NH2+]1 107122997 573361785 /nfs/dbraw/zinc/36/17/85/573361785.db2.gz IPBPEUQXQGXTMM-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)C[C@H]1C[C@H]([NH3+])CCN1 107122997 573361790 /nfs/dbraw/zinc/36/17/90/573361790.db2.gz IPBPEUQXQGXTMM-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]1C[NH2+][C@@](C)(C2CCN(C)CC2)O1 258301196 573361959 /nfs/dbraw/zinc/36/19/59/573361959.db2.gz CMFVEIDFIKQXSU-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO N[C@@H]1CC[NH2+][C@@H](C2CCCC2)C1 107121790 573362012 /nfs/dbraw/zinc/36/20/12/573362012.db2.gz GULYJNSWHVUTOJ-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@@H]1CCN[C@@H](C2CCCC2)C1 107121790 573362016 /nfs/dbraw/zinc/36/20/16/573362016.db2.gz GULYJNSWHVUTOJ-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C[NH2+]CCC1CC1)=C1CNC1 129737459 573362019 /nfs/dbraw/zinc/36/20/19/573362019.db2.gz JURGKKUKLNCTRF-UHFFFAOYSA-N 1 3 180.295 1.296 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](C)N1CCSCC1 86311410 573362049 /nfs/dbraw/zinc/36/20/49/573362049.db2.gz JYEOGJZLWFCWMW-DTWKUNHWSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1CCC1CC1 86305519 573362094 /nfs/dbraw/zinc/36/20/94/573362094.db2.gz HMJYNPCLYXDJIT-NHCYSSNCSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1CCC1CC1 86305519 573362097 /nfs/dbraw/zinc/36/20/97/573362097.db2.gz HMJYNPCLYXDJIT-NHCYSSNCSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CCC1CC1 86305519 573362100 /nfs/dbraw/zinc/36/21/00/573362100.db2.gz HMJYNPCLYXDJIT-NHCYSSNCSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@]2(CCCNC2)C1 211343654 573362112 /nfs/dbraw/zinc/36/21/12/573362112.db2.gz HJPRZSLRPVUVRL-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)C[N@H+]1CC[C@]2(CCCNC2)C1 211343654 573362120 /nfs/dbraw/zinc/36/21/20/573362120.db2.gz HJPRZSLRPVUVRL-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO [NH3+]C[C@H](CNC1CCC1)c1ccco1 258298572 573362123 /nfs/dbraw/zinc/36/21/23/573362123.db2.gz WIPZAVZXNZHBMV-SECBINFHSA-N 1 3 194.278 1.464 10 0 ADAEHO C/C=C/C=C/CN1CCC[C@@H](C[NH3+])C1 308367871 573362127 /nfs/dbraw/zinc/36/21/27/573362127.db2.gz MPHZEOLGONNCTA-BBNTXXRWSA-N 1 3 194.322 1.789 10 0 ADAEHO [NH3+]C[C@@H](CNC1CCC1)c1ccco1 258298574 573362153 /nfs/dbraw/zinc/36/21/53/573362153.db2.gz WIPZAVZXNZHBMV-VIFPVBQESA-N 1 3 194.278 1.464 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[NH+]1CCCCCC1 86311160 573362217 /nfs/dbraw/zinc/36/22/17/573362217.db2.gz IOAULBHQFSGDFZ-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCN1CC[C@@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258314699 573366042 /nfs/dbraw/zinc/36/60/42/573366042.db2.gz DAOPXVNTHRFPNV-ZJUUUORDSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H](C[N@@H+]1CC[C@H](CN)C1)C1CC1 133114615 573366124 /nfs/dbraw/zinc/36/61/24/573366124.db2.gz NNXKGTQBZUKTOS-NXEZZACHSA-N 1 3 182.311 1.313 10 0 ADAEHO C[C@H](C[N@H+]1CC[C@H](CN)C1)C1CC1 133114615 573366131 /nfs/dbraw/zinc/36/61/31/573366131.db2.gz NNXKGTQBZUKTOS-NXEZZACHSA-N 1 3 182.311 1.313 10 0 ADAEHO CN1CC[C@H](C(=O)CCC(C)(C)[NH3+])C1 259089983 573366212 /nfs/dbraw/zinc/36/62/12/573366212.db2.gz GEXQHZLUBQQEDJ-VIFPVBQESA-N 1 3 198.310 1.025 10 0 ADAEHO NCC[C@]1(c2ccccc2)CCC[NH2+]1 258313388 573366465 /nfs/dbraw/zinc/36/64/65/573366465.db2.gz TZDDUXJAPXAOFL-LBPRGKRZSA-N 1 3 190.290 1.614 10 0 ADAEHO CNC[C@H](C[NH3+])c1ccc(Cl)o1 258324193 573370033 /nfs/dbraw/zinc/37/00/33/573370033.db2.gz YDCRGXZSAXJXPX-LURJTMIESA-N 1 3 188.658 1.195 10 0 ADAEHO N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 107134775 573370042 /nfs/dbraw/zinc/37/00/42/573370042.db2.gz BZZJOBSXKJQQTF-NWDGAFQWSA-N 1 3 190.290 1.308 10 0 ADAEHO CC(C)CN1CC[C@@](F)(C[NH3+])C1 259610116 573370126 /nfs/dbraw/zinc/37/01/26/573370126.db2.gz DQHMXDIASUPEQE-SECBINFHSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)[C@@H]1C 83041684 573370649 /nfs/dbraw/zinc/37/06/49/573370649.db2.gz BLDOUKVNTILXTC-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO CN(C)[C@@H](C1CCC1)[C@@H]1CC[NH2+]C1 259428506 573371185 /nfs/dbraw/zinc/37/11/85/573371185.db2.gz IHYRWOSIQXTRAZ-MNOVXSKESA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)CN1CC[C@](F)(C[NH3+])C1 259610121 573371227 /nfs/dbraw/zinc/37/12/27/573371227.db2.gz DQHMXDIASUPEQE-VIFPVBQESA-N 1 3 174.263 1.015 10 0 ADAEHO CN[C@@H](C)CC[N@H+]1C[C@H]2CCC[C@H]2C1 126135261 573371265 /nfs/dbraw/zinc/37/12/65/573371265.db2.gz MZFBWFZJIZOGND-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@@H](C)CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126135261 573371274 /nfs/dbraw/zinc/37/12/74/573371274.db2.gz MZFBWFZJIZOGND-SDDRHHMPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@](C)([NH3+])CCN(C)C 107157145 573379278 /nfs/dbraw/zinc/37/92/78/573379278.db2.gz SYQUZQZXNKPAGQ-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CCN1CC[C@@H]([C@]2(C)CCCC[NH2+]2)C1 258333785 573379685 /nfs/dbraw/zinc/37/96/85/573379685.db2.gz XFIKQXWGORPWQU-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H](C[NH2+]CC1CCCC1)CN(C)C 308565891 573379707 /nfs/dbraw/zinc/37/97/07/573379707.db2.gz HSVIEIYDJSMEQU-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H](C[N@H+]1C[C@H]2CCC[C@H]2C1)NC 126153023 573379946 /nfs/dbraw/zinc/37/99/46/573379946.db2.gz QGISOIVOPJMMMV-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C[N@@H+]1C[C@H]2CCC[C@H]2C1)NC 126153023 573379951 /nfs/dbraw/zinc/37/99/51/573379951.db2.gz QGISOIVOPJMMMV-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C(C)(C)C1CC1 235577275 573379994 /nfs/dbraw/zinc/37/99/94/573379994.db2.gz BQEZRPYKYXTYLP-GXSJLCMTSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1C(C)(C)C1CC1 235577275 573380004 /nfs/dbraw/zinc/38/00/04/573380004.db2.gz BQEZRPYKYXTYLP-GXSJLCMTSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]C[C@@H](C)C1CC1 133163932 573380136 /nfs/dbraw/zinc/38/01/36/573380136.db2.gz NTXHILWVXPSWJG-PWSUYJOCSA-N 1 3 198.354 1.997 10 0 ADAEHO CNCCC[NH2+]CC1(C2CC2)CCC1 393629155 573380163 /nfs/dbraw/zinc/38/01/63/573380163.db2.gz AWDHFQSVUPJPRP-UHFFFAOYSA-N 1 3 196.338 1.766 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]C[C@H](C)C1CC1 133164586 573380170 /nfs/dbraw/zinc/38/01/70/573380170.db2.gz NTXHILWVXPSWJG-CMPLNLGQSA-N 1 3 198.354 1.997 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@H]1NCCC(F)F 308371470 573380277 /nfs/dbraw/zinc/38/02/77/573380277.db2.gz LAZGCMUNDICJGX-JGVFFNPUSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@@H](CNC[C@@]1(C)CCC[NH2+]1)C1CC1 133203732 573384483 /nfs/dbraw/zinc/38/44/83/573384483.db2.gz YSCBUCLKMUFHDI-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](C[NH2+]C[C@@]1(C)CCCN1)C1CC1 133203732 573384493 /nfs/dbraw/zinc/38/44/93/573384493.db2.gz YSCBUCLKMUFHDI-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](CNC[C@H]1CCCC[NH2+]1)C1CC1 133181122 573384581 /nfs/dbraw/zinc/38/45/81/573384581.db2.gz SCPZLECDXJFMKD-CMPLNLGQSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](C[NH2+]CC(C)(C)CN)C1CC1 133194317 573383837 /nfs/dbraw/zinc/38/38/37/573383837.db2.gz ZIASCJPBRVXFNV-VIFPVBQESA-N 1 3 184.327 1.607 10 0 ADAEHO CC(C)[C@]1(C)[C@H]([NH3+])CCN1C 107158781 573383845 /nfs/dbraw/zinc/38/38/45/573383845.db2.gz MDARQSJDMBFJHI-RKDXNWHRSA-N 1 3 156.273 1.064 10 0 ADAEHO CN(C)CC[C@](C)([NH3+])C1CC1 107158843 573383892 /nfs/dbraw/zinc/38/38/92/573383892.db2.gz NPKJRNDMVUZSIX-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H](C[NH2+]CCC(C)(C)N)C1CC1 133173818 573383933 /nfs/dbraw/zinc/38/39/33/573383933.db2.gz ZPGDVRMNMRERNZ-SECBINFHSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@@H]1[C@@H](CN)CC[N@@H+]1C 107158759 573383968 /nfs/dbraw/zinc/38/39/68/573383968.db2.gz FPHGITMNRFPYPS-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@@H]1[C@@H](CN)CC[N@H+]1C 107158759 573383975 /nfs/dbraw/zinc/38/39/75/573383975.db2.gz FPHGITMNRFPYPS-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]C[C@@H](C)C1CC1 133218564 573384010 /nfs/dbraw/zinc/38/40/10/573384010.db2.gz LLXQWRIDZYMSCW-ZYHUDNBSSA-N 1 3 198.354 1.853 10 0 ADAEHO CCC[C@H](CN)C[NH2+]C[C@H](C)C1CC1 133189670 573384053 /nfs/dbraw/zinc/38/40/53/573384053.db2.gz RVTNWLJQJJTIAI-WDEREUQCSA-N 1 3 198.354 1.997 10 0 ADAEHO CC[C@]1(C)[C@H](CN)CC[N@@H+]1C 107158768 573384088 /nfs/dbraw/zinc/38/40/88/573384088.db2.gz HKJQOFRLWABWTQ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@]1(C)[C@H](CN)CC[N@H+]1C 107158768 573384090 /nfs/dbraw/zinc/38/40/90/573384090.db2.gz HKJQOFRLWABWTQ-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C[C@@H](C)C1CC1 133178219 573384131 /nfs/dbraw/zinc/38/41/31/573384131.db2.gz NALJSRNMAPHVIK-ZYHUDNBSSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@H](C1CC1)[NH+]1CCC(N)CC1 83057907 573384162 /nfs/dbraw/zinc/38/41/62/573384162.db2.gz SNANBRRENBYFCK-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](C1CC1)N1CCC([NH3+])CC1 83057907 573384167 /nfs/dbraw/zinc/38/41/67/573384167.db2.gz SNANBRRENBYFCK-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H](N)CC[NH2+]C[C@H](C)C1CC1 133198876 573384170 /nfs/dbraw/zinc/38/41/70/573384170.db2.gz NPSCAOWHZAHNHU-ONGXEEELSA-N 1 3 184.327 1.750 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@H](CNC)C(C)C 259432865 573384183 /nfs/dbraw/zinc/38/41/83/573384183.db2.gz ZGAIYPFMFVCESM-MNOVXSKESA-N 1 3 186.343 1.866 10 0 ADAEHO C[NH2+][C@H](C(C)C)[C@H](CN)C(C)C 259432756 573384229 /nfs/dbraw/zinc/38/42/29/573384229.db2.gz ZEQIXAOMKQFEFH-NXEZZACHSA-N 1 3 172.316 1.461 10 0 ADAEHO CN(C)CC[C@@](C)([NH3+])C1CC1 107158840 573384240 /nfs/dbraw/zinc/38/42/40/573384240.db2.gz NPKJRNDMVUZSIX-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@@H]1[C@H](CN)CC[N@@H+]1C 107158753 573384313 /nfs/dbraw/zinc/38/43/13/573384313.db2.gz FPHGITMNRFPYPS-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@@H]1[C@H](CN)CC[N@H+]1C 107158753 573384319 /nfs/dbraw/zinc/38/43/19/573384319.db2.gz FPHGITMNRFPYPS-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H](C[N@H+]1C[C@H]2CCC[C@H]2C1)NC 126153251 573384373 /nfs/dbraw/zinc/38/43/73/573384373.db2.gz QGISOIVOPJMMMV-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@H](C[N@@H+]1C[C@H]2CCC[C@H]2C1)NC 126153251 573384378 /nfs/dbraw/zinc/38/43/78/573384378.db2.gz QGISOIVOPJMMMV-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@@H](N)CC[NH2+]C[C@H](C)C1CC1 133178740 573384404 /nfs/dbraw/zinc/38/44/04/573384404.db2.gz NALJSRNMAPHVIK-JQWIXIFHSA-N 1 3 198.354 1.996 10 0 ADAEHO Cc1ncc2c(C[NH3+])cccn12 107159627 573384434 /nfs/dbraw/zinc/38/44/34/573384434.db2.gz ZGONJZZJPWZSGD-UHFFFAOYSA-N 1 3 161.208 1.101 10 0 ADAEHO C[C@H](C[NH2+]C[C@]1(C)CCCN1)C1CC1 133203596 573385769 /nfs/dbraw/zinc/38/57/69/573385769.db2.gz YSCBUCLKMUFHDI-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](CN)C[NH2+]C[C@H](C)C1CC1 133215129 573385789 /nfs/dbraw/zinc/38/57/89/573385789.db2.gz IVRALIGPIKYMOB-IUCAKERBSA-N 1 3 170.300 1.217 10 0 ADAEHO C[NH2+]C(C)(C)CNC[C@H](C)C1CC1 133202627 573385962 /nfs/dbraw/zinc/38/59/62/573385962.db2.gz WLWZAPHWYNSBIE-VIFPVBQESA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@]1(C)[C@@H](CN)CC[N@@H+]1C 107158778 573386002 /nfs/dbraw/zinc/38/60/02/573386002.db2.gz HKJQOFRLWABWTQ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@]1(C)[C@@H](CN)CC[N@H+]1C 107158778 573386011 /nfs/dbraw/zinc/38/60/11/573386011.db2.gz HKJQOFRLWABWTQ-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO Cc1ncc2cccc(C[NH3+])n12 107159630 573386022 /nfs/dbraw/zinc/38/60/22/573386022.db2.gz NSHYBCAICPZYDL-UHFFFAOYSA-N 1 3 161.208 1.101 10 0 ADAEHO C[C@H](CN)C[NH2+]C[C@H](C)C1CC1 133215344 573386029 /nfs/dbraw/zinc/38/60/29/573386029.db2.gz IVRALIGPIKYMOB-BDAKNGLRSA-N 1 3 170.300 1.217 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C[C@@H](C)C1CC1 133176302 573386070 /nfs/dbraw/zinc/38/60/70/573386070.db2.gz OPVMRDBIAATNDQ-NXEZZACHSA-N 1 3 184.327 1.478 10 0 ADAEHO Cc1ncc2ccc(C[NH3+])cn12 107159632 573386127 /nfs/dbraw/zinc/38/61/27/573386127.db2.gz YHRVCYMLPPFPKF-UHFFFAOYSA-N 1 3 161.208 1.101 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@@H](C)C1CC1 133185644 573386142 /nfs/dbraw/zinc/38/61/42/573386142.db2.gz JUBUMNWBEWIKNQ-BDAKNGLRSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H](CNC[C@]1(C)CCC[NH2+]1)C1CC1 133203403 573386167 /nfs/dbraw/zinc/38/61/67/573386167.db2.gz YSCBUCLKMUFHDI-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](C[NH2+]C[C@]1(C)CCCN1)C1CC1 133203403 573386171 /nfs/dbraw/zinc/38/61/71/573386171.db2.gz YSCBUCLKMUFHDI-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@@H](CNC[C@@H]1CCCC[NH2+]1)C1CC1 133180693 573386214 /nfs/dbraw/zinc/38/62/14/573386214.db2.gz SCPZLECDXJFMKD-JQWIXIFHSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C[C@H](C)C1CC1 133199050 573386233 /nfs/dbraw/zinc/38/62/33/573386233.db2.gz NPSCAOWHZAHNHU-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1(C)CCC1 235579490 573386385 /nfs/dbraw/zinc/38/63/85/573386385.db2.gz VUNIWVSLINREJP-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1CC1(C)CCC1 235579490 573386391 /nfs/dbraw/zinc/38/63/91/573386391.db2.gz VUNIWVSLINREJP-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1CC1(C)CCC1 235579490 573386395 /nfs/dbraw/zinc/38/63/95/573386395.db2.gz VUNIWVSLINREJP-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](C[NH2+]CC[C@@H](N)C1CC1)C1CC1 133248570 573388996 /nfs/dbraw/zinc/38/89/96/573388996.db2.gz FEGTXKDOMHUECO-JOYOIKCWSA-N 1 3 196.338 1.750 10 0 ADAEHO C1CC(C[NH2+]CC2CNC2)(C2CC2)C1 393663894 573388492 /nfs/dbraw/zinc/38/84/92/573388492.db2.gz CLKCVIOSLJJBLH-UHFFFAOYSA-N 1 3 194.322 1.376 10 0 ADAEHO C[C@@H](C[NH2+][C@H](C)C1CCC1)CN(C)C 308568566 573388516 /nfs/dbraw/zinc/38/85/16/573388516.db2.gz JBDOSCYESMYHHF-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@@H](C[C@@H]1CCCCN1)[NH2+]C 259436139 573388642 /nfs/dbraw/zinc/38/86/42/573388642.db2.gz OHWSHZOJHXECGU-QWRGUYRKSA-N 1 3 184.327 1.907 10 0 ADAEHO C1C[C@H]2[C@@H]3[NH2+]CC[C@H]3CCCN2C1 257810257 573396371 /nfs/dbraw/zinc/39/63/71/573396371.db2.gz AIMTYHZWOIZLNP-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO CCN(CC)C[C@@]12CCC[C@H]1C[NH2+]C2 308570579 573396439 /nfs/dbraw/zinc/39/64/39/573396439.db2.gz JZNYPRKJBURZHW-RYUDHWBXSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1C[C@H]1N1CCC[NH2+][C@H](C2CC2)C1 83093163 573396632 /nfs/dbraw/zinc/39/66/32/573396632.db2.gz KPULZJBMHMUICI-ADEWGFFLSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@H]1[N@@H+]1CCCN[C@H](C2CC2)C1 83093163 573396638 /nfs/dbraw/zinc/39/66/38/573396638.db2.gz KPULZJBMHMUICI-ADEWGFFLSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@H]1[N@H+]1CCCN[C@H](C2CC2)C1 83093163 573396642 /nfs/dbraw/zinc/39/66/42/573396642.db2.gz KPULZJBMHMUICI-ADEWGFFLSA-N 1 3 194.322 1.469 10 0 ADAEHO CC[C@@H]1C[N@@H+](C2CC2)CCCN1 83091514 573396838 /nfs/dbraw/zinc/39/68/38/573396838.db2.gz UWRXKBZPHVQUPN-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[C@@H]1C[N@H+](C2CC2)CCCN1 83091514 573396842 /nfs/dbraw/zinc/39/68/42/573396842.db2.gz UWRXKBZPHVQUPN-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CN1CC(c2ccccc2CC[NH3+])C1 107176044 573396869 /nfs/dbraw/zinc/39/68/69/573396869.db2.gz CCJVPGYQTLPYMS-UHFFFAOYSA-N 1 3 190.290 1.217 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@@H+](C2CC2)CCCN1 83091507 573396963 /nfs/dbraw/zinc/39/69/63/573396963.db2.gz PCZHJIMGYFVMSF-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@H+](C2CC2)CCCN1 83091507 573396967 /nfs/dbraw/zinc/39/69/67/573396967.db2.gz PCZHJIMGYFVMSF-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C1C[NH2+]C2(CCCC2)CN(C2CC2)C1 83091525 573397090 /nfs/dbraw/zinc/39/70/90/573397090.db2.gz LJNUICQKFLJNHS-UHFFFAOYSA-N 1 3 194.322 1.757 10 0 ADAEHO C1CNC2(CCCC2)C[N@H+](C2CC2)C1 83091525 573397094 /nfs/dbraw/zinc/39/70/94/573397094.db2.gz LJNUICQKFLJNHS-UHFFFAOYSA-N 1 3 194.322 1.757 10 0 ADAEHO C1CNC2(CCCC2)C[N@@H+](C2CC2)C1 83091525 573397098 /nfs/dbraw/zinc/39/70/98/573397098.db2.gz LJNUICQKFLJNHS-UHFFFAOYSA-N 1 3 194.322 1.757 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C2CCC2)CCCN1 83093065 573398644 /nfs/dbraw/zinc/39/86/44/573398644.db2.gz PZDPLPPDHKTAOF-LBPRGKRZSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C2CCC2)CCCN1 83093065 573398650 /nfs/dbraw/zinc/39/86/50/573398650.db2.gz PZDPLPPDHKTAOF-LBPRGKRZSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H]1CN(C2CCC2)CCC[NH2+]1 83093065 573398655 /nfs/dbraw/zinc/39/86/55/573398655.db2.gz PZDPLPPDHKTAOF-LBPRGKRZSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C(=[NH2+])NCC12CCN(CC1)C2 715792122 573398663 /nfs/dbraw/zinc/39/86/63/573398663.db2.gz NWBDGDLICXZXJW-UHFFFAOYSA-N 1 3 195.310 1.305 10 0 ADAEHO CC(C)[C@@H]1CN([C@@H]2C[C@H]2C)CCC[NH2+]1 83093171 573397975 /nfs/dbraw/zinc/39/79/75/573397975.db2.gz FKBASZNOTRMSFQ-GRYCIOLGSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2C[C@H]2C)CCCN1 83093171 573397981 /nfs/dbraw/zinc/39/79/81/573397981.db2.gz FKBASZNOTRMSFQ-GRYCIOLGSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2C[C@H]2C)CCCN1 83093171 573397987 /nfs/dbraw/zinc/39/79/87/573397987.db2.gz FKBASZNOTRMSFQ-GRYCIOLGSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1CN([C@H]2C[C@@H]2C)CCC[NH2+]1 83093169 573398020 /nfs/dbraw/zinc/39/80/20/573398020.db2.gz FKBASZNOTRMSFQ-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+]([C@H]2C[C@@H]2C)CCCN1 83093169 573398026 /nfs/dbraw/zinc/39/80/26/573398026.db2.gz FKBASZNOTRMSFQ-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@H+]([C@H]2C[C@@H]2C)CCCN1 83093169 573398028 /nfs/dbraw/zinc/39/80/28/573398028.db2.gz FKBASZNOTRMSFQ-SRVKXCTJSA-N 1 3 196.338 1.715 10 0 ADAEHO CCc1cc(N[C@@H]2CC[NH2+]C2)ccn1 107177732 573398033 /nfs/dbraw/zinc/39/80/33/573398033.db2.gz YYXKALCVTVFZMX-LLVKDONJSA-N 1 3 191.278 1.418 10 0 ADAEHO CC(C)C[C@@H]1C[N@@H+](C2CC2)CCCN1 83091508 573398151 /nfs/dbraw/zinc/39/81/51/573398151.db2.gz CKVXKGUVPXSBBB-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@@H]1C[N@H+](C2CC2)CCCN1 83091508 573398156 /nfs/dbraw/zinc/39/81/56/573398156.db2.gz CKVXKGUVPXSBBB-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CN([C@@H](C)C2CC2)CCC[NH2+]1 83092030 573398179 /nfs/dbraw/zinc/39/81/79/573398179.db2.gz BKSGZKGAMCHBAB-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@]1(C2CC2)CN(C2CC2)CCC[NH2+]1 83091529 573398453 /nfs/dbraw/zinc/39/84/53/573398453.db2.gz OYODFOIKVIEYCR-LBPRGKRZSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@]1(C2CC2)C[N@@H+](C2CC2)CCCN1 83091529 573398458 /nfs/dbraw/zinc/39/84/58/573398458.db2.gz OYODFOIKVIEYCR-LBPRGKRZSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@]1(C2CC2)C[N@H+](C2CC2)CCCN1 83091529 573398466 /nfs/dbraw/zinc/39/84/66/573398466.db2.gz OYODFOIKVIEYCR-LBPRGKRZSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@@H]1N1CCC[NH2+][C@H](C2CC2)C1 83093159 573398488 /nfs/dbraw/zinc/39/84/88/573398488.db2.gz KPULZJBMHMUICI-USWWRNFRSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCCN[C@H](C2CC2)C1 83093159 573398490 /nfs/dbraw/zinc/39/84/90/573398490.db2.gz KPULZJBMHMUICI-USWWRNFRSA-N 1 3 194.322 1.469 10 0 ADAEHO C[C@@H]1C[C@@H]1[N@H+]1CCCN[C@H](C2CC2)C1 83093159 573398495 /nfs/dbraw/zinc/39/84/95/573398495.db2.gz KPULZJBMHMUICI-USWWRNFRSA-N 1 3 194.322 1.469 10 0 ADAEHO CC[C@@H](C)[C@H]1C[N@@H+](C2CC2)CCCN1 83091506 573398568 /nfs/dbraw/zinc/39/85/68/573398568.db2.gz PCZHJIMGYFVMSF-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](C)[C@H]1C[N@H+](C2CC2)CCCN1 83091506 573398572 /nfs/dbraw/zinc/39/85/72/573398572.db2.gz PCZHJIMGYFVMSF-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[C@H]1C[N@@H+](C2CC2)CCCN1 83091533 573398687 /nfs/dbraw/zinc/39/86/87/573398687.db2.gz GTEPANYBPSIAON-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)(C)[C@H]1C[N@H+](C2CC2)CCCN1 83091533 573398693 /nfs/dbraw/zinc/39/86/93/573398693.db2.gz GTEPANYBPSIAON-LLVKDONJSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@@H]1CN([C@H]2C[C@H]2C)CCC[NH2+]1 83093167 573398713 /nfs/dbraw/zinc/39/87/13/573398713.db2.gz FKBASZNOTRMSFQ-WOPDTQHZSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+]([C@H]2C[C@H]2C)CCCN1 83093167 573398719 /nfs/dbraw/zinc/39/87/19/573398719.db2.gz FKBASZNOTRMSFQ-WOPDTQHZSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@H+]([C@H]2C[C@H]2C)CCCN1 83093167 573398722 /nfs/dbraw/zinc/39/87/22/573398722.db2.gz FKBASZNOTRMSFQ-WOPDTQHZSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@H]1C[N@@H+](C2CC2)CCCN1 83091516 573398868 /nfs/dbraw/zinc/39/88/68/573398868.db2.gz UWRXKBZPHVQUPN-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CC[C@H]1C[N@H+](C2CC2)CCCN1 83091516 573398874 /nfs/dbraw/zinc/39/88/74/573398874.db2.gz UWRXKBZPHVQUPN-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CSCC[N@@H+]1CCCN[C@H](C)C1 83093481 573398922 /nfs/dbraw/zinc/39/89/22/573398922.db2.gz OAEAPLAFUZMKAY-SECBINFHSA-N 1 3 188.340 1.033 10 0 ADAEHO CSCC[N@H+]1CCCN[C@H](C)C1 83093481 573398929 /nfs/dbraw/zinc/39/89/29/573398929.db2.gz OAEAPLAFUZMKAY-SECBINFHSA-N 1 3 188.340 1.033 10 0 ADAEHO CC(C)[C@@H]1CN([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093173 573399061 /nfs/dbraw/zinc/39/90/61/573399061.db2.gz FKBASZNOTRMSFQ-SDDRHHMPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCCN1 83093173 573399067 /nfs/dbraw/zinc/39/90/67/573399067.db2.gz FKBASZNOTRMSFQ-SDDRHHMPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCCN1 83093173 573399070 /nfs/dbraw/zinc/39/90/70/573399070.db2.gz FKBASZNOTRMSFQ-SDDRHHMPSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)CN(C)C 308572675 573399096 /nfs/dbraw/zinc/39/90/96/573399096.db2.gz CNPGADDAQMZRLZ-TUAOUCFPSA-N 1 3 198.354 1.962 10 0 ADAEHO C1C[C@H]2[C@H]3[NH2+]CC[C@H]3CCCN2C1 257810258 573399374 /nfs/dbraw/zinc/39/93/74/573399374.db2.gz AIMTYHZWOIZLNP-VWYCJHECSA-N 1 3 180.295 1.223 10 0 ADAEHO CCC[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCCN1 83093102 573399471 /nfs/dbraw/zinc/39/94/71/573399471.db2.gz WHWJJWFGDKLOKL-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCCN1 83093102 573399475 /nfs/dbraw/zinc/39/94/75/573399475.db2.gz WHWJJWFGDKLOKL-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN(C)C 308572659 573399559 /nfs/dbraw/zinc/39/95/59/573399559.db2.gz CNPGADDAQMZRLZ-IJLUTSLNSA-N 1 3 198.354 1.962 10 0 ADAEHO C1C[C@@H]2CC[NH2+][C@@H]2[C@H]2CCCN2C1 257810255 573400135 /nfs/dbraw/zinc/40/01/35/573400135.db2.gz AIMTYHZWOIZLNP-MXWKQRLJSA-N 1 3 180.295 1.223 10 0 ADAEHO CC(C)C[NH2+][C@H]1CC[C@@H](N)C1 86396912 573406910 /nfs/dbraw/zinc/40/69/10/573406910.db2.gz JWHTZNDTCAAYLM-BDAKNGLRSA-N 1 3 156.273 1.112 10 0 ADAEHO CO[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 86400191 573406924 /nfs/dbraw/zinc/40/69/24/573406924.db2.gz KSGUEPSPHRVDTH-ZRUFSTJUSA-N 1 3 198.310 1.023 10 0 ADAEHO CC(C)C[NH2+][C@@H]1CC[C@@H](N)C1 86396909 573406326 /nfs/dbraw/zinc/40/63/26/573406326.db2.gz JWHTZNDTCAAYLM-RKDXNWHRSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86396902 573406434 /nfs/dbraw/zinc/40/64/34/573406434.db2.gz DHRHNFVFKDCGDW-CIUDSAMLSA-N 1 3 156.273 1.254 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](CC)N(C)C 259095894 573406650 /nfs/dbraw/zinc/40/66/50/573406650.db2.gz GSGCOJWLBSISGK-NXEZZACHSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@H](CNC)[C@@H](CC)[NH+](C)C 259095894 573406654 /nfs/dbraw/zinc/40/66/54/573406654.db2.gz GSGCOJWLBSISGK-NXEZZACHSA-N 1 3 172.316 1.572 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCC2)C1 86400284 573406755 /nfs/dbraw/zinc/40/67/55/573406755.db2.gz KWYFIZBMZQBJNC-VXNVDRBHSA-N 1 3 154.257 1.008 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 86398336 573406794 /nfs/dbraw/zinc/40/67/94/573406794.db2.gz YUTRQGNBXMIYPJ-WDEREUQCSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86396898 573406828 /nfs/dbraw/zinc/40/68/28/573406828.db2.gz DHRHNFVFKDCGDW-XHNCKOQMSA-N 1 3 156.273 1.254 10 0 ADAEHO CCC[C@H]([C@@H](CC)C[NH2+]C)N(C)C 259098349 573412421 /nfs/dbraw/zinc/41/24/21/573412421.db2.gz GYQJVHWBGRLBGP-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@H]([C@@H](CC)CNC)[NH+](C)C 259098349 573412428 /nfs/dbraw/zinc/41/24/28/573412428.db2.gz GYQJVHWBGRLBGP-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@](N)(C[NH2+]CCC(F)F)C1CC1 308385476 573412671 /nfs/dbraw/zinc/41/26/71/573412671.db2.gz TZLRPXZPWMTYRD-VIFPVBQESA-N 1 3 192.253 1.359 10 0 ADAEHO CC(C)[N@@H+]1C[C@H](CN)CCC1(C)C 259442302 573412830 /nfs/dbraw/zinc/41/28/30/573412830.db2.gz OOYQSWCISGLHRE-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+]1C[C@H](CN)CCC1(C)C 259442302 573412838 /nfs/dbraw/zinc/41/28/38/573412838.db2.gz OOYQSWCISGLHRE-JTQLQIEISA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)C(N[C@@H]2CC[C@H]([NH3+])C2)C1(C)C 86401446 573413010 /nfs/dbraw/zinc/41/30/10/573413010.db2.gz RTRKMLVSAQMSQI-DTWKUNHWSA-N 1 3 196.338 1.890 10 0 ADAEHO CC1(C)C([NH2+][C@@H]2CC[C@H](N)C2)C1(C)C 86401446 573413014 /nfs/dbraw/zinc/41/30/14/573413014.db2.gz RTRKMLVSAQMSQI-DTWKUNHWSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[N@H+](C(C)C)[C@H]1CCC[C@H](N)C1 86410085 573416596 /nfs/dbraw/zinc/41/65/96/573416596.db2.gz VRQZZGOKVAYYAY-QWRGUYRKSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H]1CCC[C@H](N)C1 86410085 573416600 /nfs/dbraw/zinc/41/66/00/573416600.db2.gz VRQZZGOKVAYYAY-QWRGUYRKSA-N 1 3 184.327 1.987 10 0 ADAEHO CN(C1CC1)[C@H]1CCC[C@H]([NH3+])C1 86410077 573416732 /nfs/dbraw/zinc/41/67/32/573416732.db2.gz BEMMPNALWHDCNC-WPRPVWTQSA-N 1 3 168.284 1.351 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCC[C@H](N)C1 86410125 573416938 /nfs/dbraw/zinc/41/69/38/573416938.db2.gz LBZLFIOEUFTUHO-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@]1([C@H]2CCCNC2)CCC[NH2+]1 258335261 573416939 /nfs/dbraw/zinc/41/69/39/573416939.db2.gz XGHRQIUJNINBRO-WDEREUQCSA-N 1 3 182.311 1.518 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCC[C@H](N)C1 86410125 573416946 /nfs/dbraw/zinc/41/69/46/573416946.db2.gz LBZLFIOEUFTUHO-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCN(C)[C@H]1CCC[C@H]([NH3+])C1 86410125 573416952 /nfs/dbraw/zinc/41/69/52/573416952.db2.gz LBZLFIOEUFTUHO-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC(C)[N@H+](C)[C@@H]1CC[C@H](N)C1 86409672 573416971 /nfs/dbraw/zinc/41/69/71/573416971.db2.gz ROTRRMNXQLWHKN-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N)C1 86409672 573416978 /nfs/dbraw/zinc/41/69/78/573416978.db2.gz ROTRRMNXQLWHKN-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO CC(C)N(C)[C@@H]1CC[C@H]([NH3+])C1 86409672 573416984 /nfs/dbraw/zinc/41/69/84/573416984.db2.gz ROTRRMNXQLWHKN-DTWKUNHWSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@@H]1CCC[C@H](N)C1 86410333 573417021 /nfs/dbraw/zinc/41/70/21/573417021.db2.gz YTASQNJWDXNAQF-ADEWGFFLSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86410333 573417026 /nfs/dbraw/zinc/41/70/26/573417026.db2.gz YTASQNJWDXNAQF-ADEWGFFLSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[N@H+](C1CC1)[C@H]1CCC[C@H](N)C1 86410070 573419238 /nfs/dbraw/zinc/41/92/38/573419238.db2.gz ZYGVKFGRKLPJDV-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H]1CCC[C@H](N)C1 86410070 573419245 /nfs/dbraw/zinc/41/92/45/573419245.db2.gz ZYGVKFGRKLPJDV-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO CCN(C1CC1)[C@H]1CCC[C@H]([NH3+])C1 86410070 573419251 /nfs/dbraw/zinc/41/92/51/573419251.db2.gz ZYGVKFGRKLPJDV-ONGXEEELSA-N 1 3 182.311 1.741 10 0 ADAEHO CN(C1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86410075 573419390 /nfs/dbraw/zinc/41/93/90/573419390.db2.gz BEMMPNALWHDCNC-WCBMZHEXSA-N 1 3 168.284 1.351 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CC[C@H](N)C1 86410087 573419629 /nfs/dbraw/zinc/41/96/29/573419629.db2.gz MGAIZMKKWDLRMF-VHSXEESVSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](N)C1 86410087 573419632 /nfs/dbraw/zinc/41/96/32/573419632.db2.gz MGAIZMKKWDLRMF-VHSXEESVSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@]1([C@@H]2CCCNC2)CCC[NH2+]1 258335246 573419654 /nfs/dbraw/zinc/41/96/54/573419654.db2.gz XGHRQIUJNINBRO-GHMZBOCLSA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CC[C@H](N)C1 86410134 573419967 /nfs/dbraw/zinc/41/99/67/573419967.db2.gz FRZYUPQVVOZIIM-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CC[C@H](N)C1 86410134 573419972 /nfs/dbraw/zinc/41/99/72/573419972.db2.gz FRZYUPQVVOZIIM-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[NH+]1CCC([C@@H]2NC[C@@H](C)O2)CC1 258647384 573419980 /nfs/dbraw/zinc/41/99/80/573419980.db2.gz SDVWSMFEYMIJPX-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CCC[C@H](N)C1 86410133 573419999 /nfs/dbraw/zinc/41/99/99/573419999.db2.gz NXQGKZVAPWLGPV-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CCC[C@H](N)C1 86410133 573420004 /nfs/dbraw/zinc/42/00/04/573420004.db2.gz NXQGKZVAPWLGPV-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](N)C1 86410147 573420018 /nfs/dbraw/zinc/42/00/18/573420018.db2.gz LAZJASYLNAOYGG-LPEHRKFASA-N 1 3 170.300 1.597 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](N)C1 86410147 573420020 /nfs/dbraw/zinc/42/00/20/573420020.db2.gz LAZJASYLNAOYGG-LPEHRKFASA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)(C)CC[NH2+][C@@H]1CC[C@H](N)C1 129975411 573420336 /nfs/dbraw/zinc/42/03/36/573420336.db2.gz AFWQUYMHBIAYJT-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@@H+]([C@@H]2CC[C@H](N)C2)C1 86409815 573420422 /nfs/dbraw/zinc/42/04/22/573420422.db2.gz HZWAKCRAWQARHF-WHOHXGKFSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CC[C@H](N)C2)C1 86409815 573420426 /nfs/dbraw/zinc/42/04/26/573420426.db2.gz HZWAKCRAWQARHF-WHOHXGKFSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC[N@H+](C)[C@@H]1CC[C@H](N)C1 86410127 573420445 /nfs/dbraw/zinc/42/04/45/573420445.db2.gz LKBUIKVSSFNMQL-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1CC[C@H](N)C1 86410127 573420461 /nfs/dbraw/zinc/42/04/61/573420461.db2.gz LKBUIKVSSFNMQL-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO CCCN(C)[C@@H]1CC[C@H]([NH3+])C1 86410127 573420466 /nfs/dbraw/zinc/42/04/66/573420466.db2.gz LKBUIKVSSFNMQL-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO [NH3+]C1CCN(CC2(C3CC3)CC2)CC1 236216647 573420516 /nfs/dbraw/zinc/42/05/16/573420516.db2.gz AXAWUAMHNBIUBJ-UHFFFAOYSA-N 1 3 194.322 1.600 10 0 ADAEHO NC1CC[NH+](CC2(C3CC3)CC2)CC1 236216647 573420517 /nfs/dbraw/zinc/42/05/17/573420517.db2.gz AXAWUAMHNBIUBJ-UHFFFAOYSA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)[C@@H]1CC[C@H](N)C1 86410338 573420604 /nfs/dbraw/zinc/42/06/04/573420604.db2.gz ZOWGUWASSBATPL-DVVUODLYSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@H](N)C1 86410338 573420607 /nfs/dbraw/zinc/42/06/07/573420607.db2.gz ZOWGUWASSBATPL-DVVUODLYSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](CN)[C@H]1C 107220500 573423707 /nfs/dbraw/zinc/42/37/07/573423707.db2.gz LREHDADJMJUVPY-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](CN)[C@H]1C 107220500 573423710 /nfs/dbraw/zinc/42/37/10/573423710.db2.gz LREHDADJMJUVPY-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CCCN(C)CC[C@@H]([NH3+])C1CC1 130017079 573423757 /nfs/dbraw/zinc/42/37/57/573423757.db2.gz OGNIUVLOCITUGT-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1[C@H](CN)CC(C)(C)[N@@H+]1C 107220433 573423798 /nfs/dbraw/zinc/42/37/98/573423798.db2.gz UZJHKFJYXOVIPE-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@H](CN)CC(C)(C)[N@H+]1C 107220433 573423803 /nfs/dbraw/zinc/42/38/03/573423803.db2.gz UZJHKFJYXOVIPE-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](N)C1 86431635 573423881 /nfs/dbraw/zinc/42/38/81/573423881.db2.gz OSFOULWHCWPPLE-HBNTYKKESA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](N)C1 86431635 573423887 /nfs/dbraw/zinc/42/38/87/573423887.db2.gz OSFOULWHCWPPLE-HBNTYKKESA-N 1 3 182.311 1.741 10 0 ADAEHO CN[C@@H]1C[C@H](C)[N@@H+](C(C)C)C1 107220551 573423910 /nfs/dbraw/zinc/42/39/10/573423910.db2.gz GFEJRXLDLOEZSF-DTWKUNHWSA-N 1 3 156.273 1.077 10 0 ADAEHO CN[C@@H]1C[C@H](C)[N@H+](C(C)C)C1 107220551 573423916 /nfs/dbraw/zinc/42/39/16/573423916.db2.gz GFEJRXLDLOEZSF-DTWKUNHWSA-N 1 3 156.273 1.077 10 0 ADAEHO CC1(C)CC[NH+]([C@H]2CC[C@H](N)C2)CC1 86432744 573424014 /nfs/dbraw/zinc/42/40/14/573424014.db2.gz BBCFIKHLJHTWEE-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO Cc1cccc(C)c1CNCCC[NH3+] 126187464 573424133 /nfs/dbraw/zinc/42/41/33/573424133.db2.gz VKPKKJQYDDSCJM-UHFFFAOYSA-N 1 3 192.306 1.742 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](N)C2)C[C@@H]1C 86433064 573424148 /nfs/dbraw/zinc/42/41/48/573424148.db2.gz WSZOXSKBXKZGIV-ZRUFSTJUSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](N)C2)C[C@@H]1C 86433064 573424154 /nfs/dbraw/zinc/42/41/54/573424154.db2.gz WSZOXSKBXKZGIV-ZRUFSTJUSA-N 1 3 182.311 1.454 10 0 ADAEHO CCCN(C)CC[C@H]([NH3+])C1CC1 130016879 573424188 /nfs/dbraw/zinc/42/41/88/573424188.db2.gz OGNIUVLOCITUGT-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO N[C@@H](CC[NH+]1CCCCCC1)C1CC1 130004057 573424248 /nfs/dbraw/zinc/42/42/48/573424248.db2.gz AFMSRHJXHJSWOB-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CCC1CC[NH+]([C@H]2CC[C@H](N)C2)CC1 86431807 573424358 /nfs/dbraw/zinc/42/43/58/573424358.db2.gz GKDITLADGWCFMP-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1CCN([C@H]2CC[C@H]([NH3+])C2)CC1 86431807 573424364 /nfs/dbraw/zinc/42/43/64/573424364.db2.gz GKDITLADGWCFMP-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CN[C@H]1C[C@@H](C)[N@@H+](C(C)C)C1 107220543 573424376 /nfs/dbraw/zinc/42/43/76/573424376.db2.gz GFEJRXLDLOEZSF-BDAKNGLRSA-N 1 3 156.273 1.077 10 0 ADAEHO CN[C@H]1C[C@@H](C)[N@H+](C(C)C)C1 107220543 573424381 /nfs/dbraw/zinc/42/43/81/573424381.db2.gz GFEJRXLDLOEZSF-BDAKNGLRSA-N 1 3 156.273 1.077 10 0 ADAEHO C[N@H+](CC1CC1)[C@H]1CCC[C@H](N)C1 86431640 573424387 /nfs/dbraw/zinc/42/43/87/573424387.db2.gz QNLUAYIFGUUVDH-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CC1CC1)[C@H]1CCC[C@H](N)C1 86431640 573424391 /nfs/dbraw/zinc/42/43/91/573424391.db2.gz QNLUAYIFGUUVDH-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1[C@@H](CN)CC(C)(C)[N@@H+]1C 107220438 573424404 /nfs/dbraw/zinc/42/44/04/573424404.db2.gz UZJHKFJYXOVIPE-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1[C@@H](CN)CC(C)(C)[N@H+]1C 107220438 573424406 /nfs/dbraw/zinc/42/44/06/573424406.db2.gz UZJHKFJYXOVIPE-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO CCCCN(C)CC[C@@H]([NH3+])C1CC1 130006376 573424414 /nfs/dbraw/zinc/42/44/14/573424414.db2.gz YSQMXKXDBMDWFD-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1[C@H](CN)CCC[N@@H+]1C 107220477 573424424 /nfs/dbraw/zinc/42/44/24/573424424.db2.gz AUQVPBNTDCQNEV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1[C@H](CN)CCC[N@H+]1C 107220477 573424429 /nfs/dbraw/zinc/42/44/29/573424429.db2.gz AUQVPBNTDCQNEV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1[C@H](C[NH3+])CCCN1C 107220477 573424434 /nfs/dbraw/zinc/42/44/34/573424434.db2.gz AUQVPBNTDCQNEV-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[NH+]1CCC([C@H]2NC[C@H](C)O2)CC1 258647395 573424557 /nfs/dbraw/zinc/42/45/57/573424557.db2.gz SDVWSMFEYMIJPX-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1NCC[N@@H+](C)[C@@H]2CCC[C@H]12 238390449 573424587 /nfs/dbraw/zinc/42/45/87/573424587.db2.gz PDIJOAXZXJCFJB-IVZWLZJFSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)N(C)CC[C@@H]([NH3+])C1CC1 130007706 573424590 /nfs/dbraw/zinc/42/45/90/573424590.db2.gz CXJIKGTYHICABL-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]1[NH2+]CCN(C)[C@@H]2CCC[C@H]12 238390449 573424592 /nfs/dbraw/zinc/42/45/92/573424592.db2.gz PDIJOAXZXJCFJB-IVZWLZJFSA-N 1 3 168.284 1.079 10 0 ADAEHO CCC(C)(C)[N@H+](C)[C@H]1CC[C@H](N)C1 86432920 573424639 /nfs/dbraw/zinc/42/46/39/573424639.db2.gz XGYKPHCFFWFIEY-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@@H+](C)[C@H]1CC[C@H](N)C1 86432920 573424645 /nfs/dbraw/zinc/42/46/45/573424645.db2.gz XGYKPHCFFWFIEY-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](C1CCC1)[NH+]1CCCNCCC1 124329435 573424653 /nfs/dbraw/zinc/42/46/53/573424653.db2.gz XRVBRYGLMFCYSV-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86431642 573424703 /nfs/dbraw/zinc/42/47/03/573424703.db2.gz LMEUFBKFYLEMCX-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86431642 573424706 /nfs/dbraw/zinc/42/47/06/573424706.db2.gz LMEUFBKFYLEMCX-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO CN(CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86431642 573424711 /nfs/dbraw/zinc/42/47/11/573424711.db2.gz LMEUFBKFYLEMCX-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](N)C2)CC1 86432869 573424797 /nfs/dbraw/zinc/42/47/97/573424797.db2.gz GSPSENOSRKPPLR-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](N)C2)CC1 86432869 573424805 /nfs/dbraw/zinc/42/48/05/573424805.db2.gz GSPSENOSRKPPLR-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1[C@H](CN)CC(C)(C)[N@@H+]1C 107220429 573424811 /nfs/dbraw/zinc/42/48/11/573424811.db2.gz UZJHKFJYXOVIPE-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1[C@H](CN)CC(C)(C)[N@H+]1C 107220429 573424816 /nfs/dbraw/zinc/42/48/16/573424816.db2.gz UZJHKFJYXOVIPE-SFYZADRCSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](N)C1 86433017 573425017 /nfs/dbraw/zinc/42/50/17/573425017.db2.gz SHDINCDMUOSZQA-TUAOUCFPSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](N)C1 86433017 573425024 /nfs/dbraw/zinc/42/50/24/573425024.db2.gz SHDINCDMUOSZQA-TUAOUCFPSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1C[C@@H](CN)C(C)(C)[N@@H+]1C 107220474 573425029 /nfs/dbraw/zinc/42/50/29/573425029.db2.gz KUYRDHRFZRHYGC-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[C@@H](CN)C(C)(C)[N@H+]1C 107220474 573425034 /nfs/dbraw/zinc/42/50/34/573425034.db2.gz KUYRDHRFZRHYGC-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]([C@@H](F)CN)C1 257811503 573425114 /nfs/dbraw/zinc/42/51/14/573425114.db2.gz BEDSCYCBXBXTSF-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO CC[N@H+]1CCC[C@@H]([C@@H](F)CN)C1 257811503 573425119 /nfs/dbraw/zinc/42/51/19/573425119.db2.gz BEDSCYCBXBXTSF-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO NCC(C[NH3+])c1ccc(Cl)s1 258024373 573425134 /nfs/dbraw/zinc/42/51/34/573425134.db2.gz GDPFCOCTLZNGND-UHFFFAOYSA-N 1 3 190.699 1.403 10 0 ADAEHO CC1(C)CC[NH+]([C@H]2CC[C@@H](N)C2)CC1 86432746 573425202 /nfs/dbraw/zinc/42/52/02/573425202.db2.gz BBCFIKHLJHTWEE-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](CC1CCC1)[C@@H]1CCC[C@H](N)C1 86432714 573425238 /nfs/dbraw/zinc/42/52/38/573425238.db2.gz QPUIXPXPRKCKME-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1NCC[N@H+](C)[C@@H]2CCCC[C@H]12 238390433 573425239 /nfs/dbraw/zinc/42/52/39/573425239.db2.gz BUMAJROJJOVUNN-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1NCC[N@@H+](C)[C@@H]2CCCC[C@H]12 238390433 573425240 /nfs/dbraw/zinc/42/52/40/573425240.db2.gz BUMAJROJJOVUNN-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@@H]1CCC[C@H](N)C1 86432714 573425243 /nfs/dbraw/zinc/42/52/43/573425243.db2.gz QPUIXPXPRKCKME-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1[NH2+]CCN(C)[C@@H]2CCCC[C@H]12 238390433 573425248 /nfs/dbraw/zinc/42/52/48/573425248.db2.gz BUMAJROJJOVUNN-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](N)C2)C1 86431693 573425257 /nfs/dbraw/zinc/42/52/57/573425257.db2.gz DERMVFAKZXACNO-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](N)C2)C1 86431693 573425261 /nfs/dbraw/zinc/42/52/61/573425261.db2.gz DERMVFAKZXACNO-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(CC[C@@H]([NH3+])C1CC1)C1CC1 130014057 573425322 /nfs/dbraw/zinc/42/53/22/573425322.db2.gz WHBGXSXFMQVKDH-SNVBAGLBSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[N@H+](CC[C@@H](N)C1CC1)C(C)C 130014507 573425340 /nfs/dbraw/zinc/42/53/40/573425340.db2.gz BAZGEQXLNJCEOW-LLVKDONJSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+](CC[C@@H](N)C1CC1)C(C)C 130014507 573425345 /nfs/dbraw/zinc/42/53/45/573425345.db2.gz BAZGEQXLNJCEOW-LLVKDONJSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1NCC[N@H+](C)[C@@H]2CCC[C@H]12 238390449 573424578 /nfs/dbraw/zinc/42/45/78/573424578.db2.gz PDIJOAXZXJCFJB-IVZWLZJFSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CC[C@H](N)C2)C[C@H]1C 86433066 573427819 /nfs/dbraw/zinc/42/78/19/573427819.db2.gz WSZOXSKBXKZGIV-CHWFTXMASA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)N(C)CC[C@H]([NH3+])C1CC1 130007489 573427211 /nfs/dbraw/zinc/42/72/11/573427211.db2.gz CXJIKGTYHICABL-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+](CC1CCC1)[C@H]1CC[C@H](N)C1 86432717 573427226 /nfs/dbraw/zinc/42/72/26/573427226.db2.gz LOJSEBDHCCQLBX-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO NCc1cc2c(C[NH3+])cccc2s1 258028186 573427227 /nfs/dbraw/zinc/42/72/27/573427227.db2.gz MUWXLMBYOTZDHG-UHFFFAOYSA-N 1 3 192.287 1.819 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@H]1CC[C@H](N)C1 86432717 573427231 /nfs/dbraw/zinc/42/72/31/573427231.db2.gz LOJSEBDHCCQLBX-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCC[N@@H+]([C@H]2CC[C@H](N)C2)C1 86432936 573427271 /nfs/dbraw/zinc/42/72/71/573427271.db2.gz PZDGQTTTYGAGRH-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@H+]([C@H]2CC[C@H](N)C2)C1 86432936 573427275 /nfs/dbraw/zinc/42/72/75/573427275.db2.gz PZDGQTTTYGAGRH-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C)[N@H+](C)CC[C@H](N)C1CC1 130017801 573427315 /nfs/dbraw/zinc/42/73/15/573427315.db2.gz IANKTPXRKKXHGT-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+](C)CC[C@H](N)C1CC1 130017801 573427319 /nfs/dbraw/zinc/42/73/19/573427319.db2.gz IANKTPXRKKXHGT-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)N(C)CC[C@H]([NH3+])C1CC1 130017801 573427326 /nfs/dbraw/zinc/42/73/26/573427326.db2.gz IANKTPXRKKXHGT-KOLCDFICSA-N 1 3 184.327 1.844 10 0 ADAEHO C[NH2+][C@@H](C)c1ccc(OC)c(CN)c1 257811309 573427327 /nfs/dbraw/zinc/42/73/27/573427327.db2.gz BDJMQVAORUFHFI-QMMMGPOBSA-N 1 3 194.278 1.434 10 0 ADAEHO CC[N@@H+]1CCC[C@H]([C@@H](F)CN)C1 257811505 573427354 /nfs/dbraw/zinc/42/73/54/573427354.db2.gz BEDSCYCBXBXTSF-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO CC[N@H+]1CCC[C@H]([C@@H](F)CN)C1 257811505 573427362 /nfs/dbraw/zinc/42/73/62/573427362.db2.gz BEDSCYCBXBXTSF-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO CC1(C)CCC[N@@H+]([C@@H]2CC[C@H](N)C2)C1 86432935 573427395 /nfs/dbraw/zinc/42/73/95/573427395.db2.gz PZDGQTTTYGAGRH-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[N@H+]([C@@H]2CC[C@H](N)C2)C1 86432935 573427401 /nfs/dbraw/zinc/42/74/01/573427401.db2.gz PZDGQTTTYGAGRH-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[C@H]1[C@H](CN)CCC[N@@H+]1C 107224778 573427411 /nfs/dbraw/zinc/42/74/11/573427411.db2.gz UOLJMCIIRKCLGL-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H]1[C@H](CN)CCC[N@H+]1C 107224778 573427419 /nfs/dbraw/zinc/42/74/19/573427419.db2.gz UOLJMCIIRKCLGL-UWVGGRQHSA-N 1 3 170.300 1.312 10 0 ADAEHO CCSCC[C@@H](C)[NH2+]CCCN 133795089 573427450 /nfs/dbraw/zinc/42/74/50/573427450.db2.gz OMIHIACMKKUYRE-SECBINFHSA-N 1 3 190.356 1.457 10 0 ADAEHO CCC[N@H+](CC)CC[C@@H](N)C1CC1 130015817 573427613 /nfs/dbraw/zinc/42/76/13/573427613.db2.gz NZNIMMXEIMXIQB-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[N@@H+](CC)CC[C@@H](N)C1CC1 130015817 573427619 /nfs/dbraw/zinc/42/76/19/573427619.db2.gz NZNIMMXEIMXIQB-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCN(CC)CC[C@@H]([NH3+])C1CC1 130015817 573427625 /nfs/dbraw/zinc/42/76/25/573427625.db2.gz NZNIMMXEIMXIQB-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](CC(F)F)NC[C@@H](C)[C@@H](C)[NH3+] 308382288 573427652 /nfs/dbraw/zinc/42/76/52/573427652.db2.gz REFNPPCLQGEPEJ-BWZBUEFSSA-N 1 3 194.269 1.603 10 0 ADAEHO C[C@@H](CN[C@H](C)CC(F)F)[C@@H](C)[NH3+] 308382298 573427664 /nfs/dbraw/zinc/42/76/64/573427664.db2.gz REFNPPCLQGEPEJ-XLPZGREQSA-N 1 3 194.269 1.603 10 0 ADAEHO CCCN(CC[C@H]([NH3+])C1CC1)C1CC1 130016517 573427714 /nfs/dbraw/zinc/42/77/14/573427714.db2.gz LZAVYQBYJPFIQU-LBPRGKRZSA-N 1 3 196.338 1.988 10 0 ADAEHO N[C@@H](CC[NH2+]C1CCCC1)C1CC1 130038669 573430712 /nfs/dbraw/zinc/43/07/12/573430712.db2.gz HOIFSILUDKATLQ-NSHDSACASA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@@H]1N(C)CC[C@@]12CC[NH2+]C2 107223905 573430717 /nfs/dbraw/zinc/43/07/17/573430717.db2.gz QFFUDTSIWOHLLM-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[C@H](CN)CCC[N@@H+]1C1CC1 107223967 573430747 /nfs/dbraw/zinc/43/07/47/573430747.db2.gz ZIJZSKSPZPLBFX-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@H](CN)CCC[N@H+]1C1CC1 107223967 573430754 /nfs/dbraw/zinc/43/07/54/573430754.db2.gz ZIJZSKSPZPLBFX-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@H](C[NH3+])CCCN1C1CC1 107223967 573430760 /nfs/dbraw/zinc/43/07/60/573430760.db2.gz ZIJZSKSPZPLBFX-IUCAKERBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](C1CC1)[N@H+](C)CC[C@H](N)C1CC1 130026046 573430782 /nfs/dbraw/zinc/43/07/82/573430782.db2.gz XBUBGTDZRGBTJR-SKDRFNHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)[N@@H+](C)CC[C@H](N)C1CC1 130026046 573430789 /nfs/dbraw/zinc/43/07/89/573430789.db2.gz XBUBGTDZRGBTJR-SKDRFNHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](C1CC1)N(C)CC[C@H]([NH3+])C1CC1 130026046 573430793 /nfs/dbraw/zinc/43/07/93/573430793.db2.gz XBUBGTDZRGBTJR-SKDRFNHKSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1N(C)CC[C@]12CCC[NH2+]C2 107223656 573430838 /nfs/dbraw/zinc/43/08/38/573430838.db2.gz GCDRPUICOVOBPX-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1[N@H+](C)CC[C@]12CCCNC2 107223656 573430844 /nfs/dbraw/zinc/43/08/44/573430844.db2.gz GCDRPUICOVOBPX-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1[N@@H+](C)CC[C@]12CCCNC2 107223656 573430850 /nfs/dbraw/zinc/43/08/50/573430850.db2.gz GCDRPUICOVOBPX-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CN1CC[C@]2(CC[NH2+]C2)C1(C)C 107223921 573431305 /nfs/dbraw/zinc/43/13/05/573431305.db2.gz SWMGBPBZTSDQQL-JTQLQIEISA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]([NH3+])c1ccc2c(c1)CNC2 238394272 573434314 /nfs/dbraw/zinc/43/43/14/573434314.db2.gz NWDOTRFVGYQONU-SSDOTTSWSA-N 1 3 162.236 1.310 10 0 ADAEHO CC[C@@H]1[C@H](CN)CC[N@@H+]1C(C)C 107224760 573434325 /nfs/dbraw/zinc/43/43/25/573434325.db2.gz ZNAZWOMNNDMHKP-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1[C@H](CN)CC[N@H+]1C(C)C 107224760 573434331 /nfs/dbraw/zinc/43/43/31/573434331.db2.gz ZNAZWOMNNDMHKP-VHSXEESVSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]([NH3+])c1ccc2c(c1)[C@H](N)CO2 238394623 573434373 /nfs/dbraw/zinc/43/43/73/573434373.db2.gz SIEXPQNSSHXHQG-HZGVNTEJSA-N 1 3 178.235 1.099 10 0 ADAEHO CC(C)C[NH2+]CC[C@@H](N)C1CC1 130038413 573434382 /nfs/dbraw/zinc/43/43/82/573434382.db2.gz KEBPLZRYVIVRCH-SNVBAGLBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC[C@H](C[C@H]1CCC[NH2+]1)N(C)C 259448423 573434444 /nfs/dbraw/zinc/43/44/44/573434444.db2.gz JDMQQXDGHRDDEK-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@H]1[C@H](CN)CC[N@@H+]1C(C)C 107224763 573434653 /nfs/dbraw/zinc/43/46/53/573434653.db2.gz ZNAZWOMNNDMHKP-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H]1[C@H](CN)CC[N@H+]1C(C)C 107224763 573434661 /nfs/dbraw/zinc/43/46/61/573434661.db2.gz ZNAZWOMNNDMHKP-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C[C@@H]1CCC[NH2+]1)N(C)C 259448426 573434663 /nfs/dbraw/zinc/43/46/63/573434663.db2.gz JDMQQXDGHRDDEK-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H]1N(C)CCC[C@]12CC[NH2+]C2 107223914 573434835 /nfs/dbraw/zinc/43/48/35/573434835.db2.gz QSKYBSRIIIGXHA-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCCC(C)(C)[N@@H+]1CC[C@H](CN)C1 126260096 573446301 /nfs/dbraw/zinc/44/63/01/573446301.db2.gz AIBFGSFNGSOXDH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)[N@@H+]1C[C@@]2(CCCNC2)C[C@H]1C 107237448 573446308 /nfs/dbraw/zinc/44/63/08/573446308.db2.gz HLXIAVLPEGZJPH-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1C[C@@]2(CCCNC2)C[C@H]1C 107237448 573446311 /nfs/dbraw/zinc/44/63/11/573446311.db2.gz HLXIAVLPEGZJPH-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC(C)(C)[N@H+]1CC[C@H](CN)C1 126260096 573446312 /nfs/dbraw/zinc/44/63/12/573446312.db2.gz AIBFGSFNGSOXDH-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1N(C)CCC[C@@]12CCC[NH2+]C2 107237439 573446745 /nfs/dbraw/zinc/44/67/45/573446745.db2.gz FYXWZPLJAQDDHI-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1[N@H+](C)CCC[C@@]12CCCNC2 107237439 573446752 /nfs/dbraw/zinc/44/67/52/573446752.db2.gz FYXWZPLJAQDDHI-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1[N@@H+](C)CCC[C@@]12CCCNC2 107237439 573446755 /nfs/dbraw/zinc/44/67/55/573446755.db2.gz FYXWZPLJAQDDHI-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO N[C@H](C[C@@H]1CC[NH2+]C1)c1cccs1 259454943 573457133 /nfs/dbraw/zinc/45/71/33/573457133.db2.gz QPUDYDUSUDRLLD-DTWKUNHWSA-N 1 3 196.319 1.748 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](N)c1ccc(F)cc1 259454721 573457151 /nfs/dbraw/zinc/45/71/51/573457151.db2.gz OHZWFTACPQSKCA-LDYMZIIASA-N 1 3 196.269 1.810 10 0 ADAEHO C[C@H]1CC[C@H]1[NH2+]CC1(CN)CCCC1 308590512 573457251 /nfs/dbraw/zinc/45/72/51/573457251.db2.gz KDWWIFGCLYZTCH-WDEREUQCSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]([NH3+])CC[C@H](N)c1ccccn1 259458469 573457311 /nfs/dbraw/zinc/45/73/11/573457311.db2.gz QUDKWWHTEROIRP-BDAKNGLRSA-N 1 3 179.267 1.209 10 0 ADAEHO CC(C)C[C@@H]([NH3+])C1(CN)CC1 259454728 573457353 /nfs/dbraw/zinc/45/73/53/573457353.db2.gz OIHCGHVVADBDKM-MRVPVSSYSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@]1(CN[C@@H]2CC[C@H]2C)CC[NH2+]C1 308590533 573457435 /nfs/dbraw/zinc/45/74/35/573457435.db2.gz KDYYECXATIKXCT-UTUOFQBUSA-N 1 3 196.338 1.764 10 0 ADAEHO CN(C)[C@H](CCC[NH3+])c1ccccn1 259454673 573457437 /nfs/dbraw/zinc/45/74/37/573457437.db2.gz JKGMNTGHBCOVLC-LLVKDONJSA-N 1 3 193.294 1.423 10 0 ADAEHO N[C@@H](C[C@H]1CC[NH2+]C1)c1cccs1 259454942 573457483 /nfs/dbraw/zinc/45/74/83/573457483.db2.gz QPUDYDUSUDRLLD-BDAKNGLRSA-N 1 3 196.319 1.748 10 0 ADAEHO C[C@H]([NH3+])CC[C@@H](N)c1ccccn1 259458472 573457503 /nfs/dbraw/zinc/45/75/03/573457503.db2.gz QUDKWWHTEROIRP-DTWKUNHWSA-N 1 3 179.267 1.209 10 0 ADAEHO NC[C@@H](C[NH+]1CCCCC1)C1CC1 258353505 573457534 /nfs/dbraw/zinc/45/75/34/573457534.db2.gz RALVNIMJJAGFFB-NSHDSACASA-N 1 3 182.311 1.457 10 0 ADAEHO C[C@H](N)[C@@](C)(F)[C@@H]1CCC[N@H+](C)C1 257817693 573457543 /nfs/dbraw/zinc/45/75/43/573457543.db2.gz DWRAEYSOTFHRFR-IVZWLZJFSA-N 1 3 188.290 1.404 10 0 ADAEHO C[C@H](N)[C@@](C)(F)[C@@H]1CCC[N@@H+](C)C1 257817693 573457550 /nfs/dbraw/zinc/45/75/50/573457550.db2.gz DWRAEYSOTFHRFR-IVZWLZJFSA-N 1 3 188.290 1.404 10 0 ADAEHO CN[C@H](CC(C)(C)[NH3+])c1cc[nH]c1 259456140 573457694 /nfs/dbraw/zinc/45/76/94/573457694.db2.gz PHZKIWUDAOGIOY-SECBINFHSA-N 1 3 181.283 1.403 10 0 ADAEHO CC(C)C[C@H]([NH3+])C1(CN)CC1 259454729 573457711 /nfs/dbraw/zinc/45/77/11/573457711.db2.gz OIHCGHVVADBDKM-QMMMGPOBSA-N 1 3 156.273 1.099 10 0 ADAEHO C[NH2+]CC1([C@@H](N)C(C)(C)C)CCC1 259456252 573457919 /nfs/dbraw/zinc/45/79/19/573457919.db2.gz OMKXERPGJNLCGU-VIFPVBQESA-N 1 3 184.327 1.750 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@@H]2NC[C@@H](C)O2)C1 258397224 573467875 /nfs/dbraw/zinc/46/78/75/573467875.db2.gz IENBQEPTCGUNKJ-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@@H]2NC[C@@H](C)O2)C1 258397224 573467882 /nfs/dbraw/zinc/46/78/82/573467882.db2.gz IENBQEPTCGUNKJ-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)CC[C@H]([NH3+])C1CC1 130105605 573467944 /nfs/dbraw/zinc/46/79/44/573467944.db2.gz COZHGCRWGJYURE-USWWRNFRSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[N@@H+]1CCCNCC[C@H]1C 259461226 573468125 /nfs/dbraw/zinc/46/81/25/573468125.db2.gz QBXOVMHSMBAJNH-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@H+]1CCCNCC[C@H]1C 259461226 573468128 /nfs/dbraw/zinc/46/81/28/573468128.db2.gz QBXOVMHSMBAJNH-SNVBAGLBSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@H]1CO[C@](C)(C2CCN(C)CC2)[NH2+]1 258357965 573468143 /nfs/dbraw/zinc/46/81/43/573468143.db2.gz GDOVZWRPXXQDSZ-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@H](C[NH2+]C)CN1CCCCC1 258665143 573468146 /nfs/dbraw/zinc/46/81/46/573468146.db2.gz NYWWJIVGSTVKCQ-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CC[C@H](CNC)C[NH+]1CCCCC1 258665143 573468155 /nfs/dbraw/zinc/46/81/55/573468155.db2.gz NYWWJIVGSTVKCQ-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@H]2NC[C@H](C)O2)C1 258397222 573468200 /nfs/dbraw/zinc/46/82/00/573468200.db2.gz IENBQEPTCGUNKJ-AXFHLTTASA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@H]2NC[C@H](C)O2)C1 258397222 573468205 /nfs/dbraw/zinc/46/82/05/573468205.db2.gz IENBQEPTCGUNKJ-AXFHLTTASA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@@H+]1CC[C@H](C[C@@H]2NC(C)(C)CO2)C1 258397115 573468259 /nfs/dbraw/zinc/46/82/59/573468259.db2.gz ICPWNNAZMOBIFD-NXEZZACHSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@H](C[C@@H]2NC(C)(C)CO2)C1 258397115 573468265 /nfs/dbraw/zinc/46/82/65/573468265.db2.gz ICPWNNAZMOBIFD-NXEZZACHSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@H]2NC[C@@H](C)O2)C1 258397231 573468439 /nfs/dbraw/zinc/46/84/39/573468439.db2.gz IENBQEPTCGUNKJ-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@H]2NC[C@@H](C)O2)C1 258397231 573468442 /nfs/dbraw/zinc/46/84/42/573468442.db2.gz IENBQEPTCGUNKJ-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 86500459 573468468 /nfs/dbraw/zinc/46/84/68/573468468.db2.gz WZKDMYROEPGLLT-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[N@@H+]1CCC[C@H](CNC)C1(C)C 259461163 573468507 /nfs/dbraw/zinc/46/85/07/573468507.db2.gz PZSPPQXNWVCEBM-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1CCC[C@H](CNC)C1(C)C 259461163 573468511 /nfs/dbraw/zinc/46/85/11/573468511.db2.gz PZSPPQXNWVCEBM-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1CCC[C@H](C[NH2+]C)C1(C)C 259461163 573468516 /nfs/dbraw/zinc/46/85/16/573468516.db2.gz PZSPPQXNWVCEBM-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO N[C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 86500370 573468708 /nfs/dbraw/zinc/46/87/08/573468708.db2.gz LJSKXZFRFDQWMX-MXWKQRLJSA-N 1 3 182.311 1.646 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@](C)(F)CN)C1 257820672 573468754 /nfs/dbraw/zinc/46/87/54/573468754.db2.gz FUNGRJFTMGBREC-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@](C)(F)CN)C1 257820672 573468760 /nfs/dbraw/zinc/46/87/60/573468760.db2.gz FUNGRJFTMGBREC-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@@H](N)C[C@H]1CCCCC[NH2+]1 86500454 573468778 /nfs/dbraw/zinc/46/87/78/573468778.db2.gz FGPPYXFSNJDFFP-RKDXNWHRSA-N 1 3 156.273 1.256 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 86499889 573468854 /nfs/dbraw/zinc/46/88/54/573468854.db2.gz CLBGZPGXXDOHOJ-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 86499889 573468857 /nfs/dbraw/zinc/46/88/57/573468857.db2.gz CLBGZPGXXDOHOJ-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](N)C[C@H]1CCCCC[NH2+]1 86500453 573468898 /nfs/dbraw/zinc/46/88/98/573468898.db2.gz FGPPYXFSNJDFFP-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H](C)C[NH2+]CC[C@@H](N)C1CC1 130089870 573468970 /nfs/dbraw/zinc/46/89/70/573468970.db2.gz RLYSCJATQLJNTJ-GXSJLCMTSA-N 1 3 184.327 1.750 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1 86512272 573469030 /nfs/dbraw/zinc/46/90/30/573469030.db2.gz HRRAZHXFPZXJHR-TUAOUCFPSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1(C)C[C@@H]([NH2+]C(C)(C)C)CCN1 258663300 573469092 /nfs/dbraw/zinc/46/90/92/573469092.db2.gz GTWXDOXKNCXFSO-VIFPVBQESA-N 1 3 184.327 1.905 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@@H]2NC[C@H](C)O2)C1 258397228 573469350 /nfs/dbraw/zinc/46/93/50/573469350.db2.gz IENBQEPTCGUNKJ-HBNTYKKESA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@@H]2NC[C@H](C)O2)C1 258397228 573469353 /nfs/dbraw/zinc/46/93/53/573469353.db2.gz IENBQEPTCGUNKJ-HBNTYKKESA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]CC[C@H](N)C1CC1 130114725 573469440 /nfs/dbraw/zinc/46/94/40/573469440.db2.gz GAQFXIJSRUGUTO-JQWIXIFHSA-N 1 3 198.354 1.996 10 0 ADAEHO CN1CC[C@H]([NH3+])C[C@H]1C(C)(C)C 107273855 573469556 /nfs/dbraw/zinc/46/95/56/573469556.db2.gz GGLDARBXQVZMFD-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CC[C@H](N)C[C@H]1C(C)(C)C 107273855 573469565 /nfs/dbraw/zinc/46/95/65/573469565.db2.gz GGLDARBXQVZMFD-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+]1CC[C@H](N)C[C@H]1C(C)(C)C 107273855 573469574 /nfs/dbraw/zinc/46/95/74/573469574.db2.gz GGLDARBXQVZMFD-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CC[C@@H](C[C@@H]2NC(C)(C)CO2)C1 258397119 573469681 /nfs/dbraw/zinc/46/96/81/573469681.db2.gz ICPWNNAZMOBIFD-VHSXEESVSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@@H](C[C@@H]2NC(C)(C)CO2)C1 258397119 573469686 /nfs/dbraw/zinc/46/96/86/573469686.db2.gz ICPWNNAZMOBIFD-VHSXEESVSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 86499887 573469697 /nfs/dbraw/zinc/46/96/97/573469697.db2.gz CLBGZPGXXDOHOJ-AXFHLTTASA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 86499887 573469701 /nfs/dbraw/zinc/46/97/01/573469701.db2.gz CLBGZPGXXDOHOJ-AXFHLTTASA-N 1 3 182.311 1.517 10 0 ADAEHO CN1CC[C@@H]([NH3+])C[C@H]1C(C)(C)C 107273849 573469918 /nfs/dbraw/zinc/46/99/18/573469918.db2.gz GGLDARBXQVZMFD-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)C[C@H]1C(C)(C)C 107273849 573469922 /nfs/dbraw/zinc/46/99/22/573469922.db2.gz GGLDARBXQVZMFD-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+]1CC[C@@H](N)C[C@H]1C(C)(C)C 107273849 573469927 /nfs/dbraw/zinc/46/99/27/573469927.db2.gz GGLDARBXQVZMFD-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CN[C@H](C)C[C@H]1CCCCC[NH2+]1 86500462 573469934 /nfs/dbraw/zinc/46/99/34/573469934.db2.gz WZKDMYROEPGLLT-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]CC[C@@H](N)C1CC1 130115109 573469952 /nfs/dbraw/zinc/46/99/52/573469952.db2.gz GAQFXIJSRUGUTO-CMPLNLGQSA-N 1 3 198.354 1.996 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 86500372 573469965 /nfs/dbraw/zinc/46/99/65/573469965.db2.gz LJSKXZFRFDQWMX-AXFHLTTASA-N 1 3 182.311 1.646 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]CC[C@@H](N)C1CC1 130115344 573470177 /nfs/dbraw/zinc/47/01/77/573470177.db2.gz GAQFXIJSRUGUTO-ZYHUDNBSSA-N 1 3 198.354 1.996 10 0 ADAEHO C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCCCN1 86500374 573470385 /nfs/dbraw/zinc/47/03/85/573470385.db2.gz HRRAZHXFPZXJHR-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 86500461 573470445 /nfs/dbraw/zinc/47/04/45/573470445.db2.gz WZKDMYROEPGLLT-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCCCC[NH2+]1 86500452 573470669 /nfs/dbraw/zinc/47/06/69/573470669.db2.gz FGPPYXFSNJDFFP-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@H](N)C[C@@H]1CCCCC[NH2+]1 86500451 573470879 /nfs/dbraw/zinc/47/08/79/573470879.db2.gz FGPPYXFSNJDFFP-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO CCN1CCC[C@@H](C[NH2+]CC2CC2)C1 308583838 573472962 /nfs/dbraw/zinc/47/29/62/573472962.db2.gz HQSSVWVLFKGQSQ-LBPRGKRZSA-N 1 3 196.338 1.718 10 0 ADAEHO CCC[C@@H](NC)C(C)(C)[NH2+]C 259463064 573473057 /nfs/dbraw/zinc/47/30/57/573473057.db2.gz PQDZLIOEJATMME-MRVPVSSYSA-N 1 3 158.289 1.373 10 0 ADAEHO C[C@@H](C[NH3+])CNc1ccncc1 83387613 573473138 /nfs/dbraw/zinc/47/31/38/573473138.db2.gz VLCYMFBXNJDCKG-QMMMGPOBSA-N 1 3 165.240 1.088 10 0 ADAEHO CCC[C@H](NC)C(C)(C)[NH2+]C 259463065 573473196 /nfs/dbraw/zinc/47/31/96/573473196.db2.gz PQDZLIOEJATMME-QMMMGPOBSA-N 1 3 158.289 1.373 10 0 ADAEHO CC(C)C[C@@H]([C@H]1CCCNC1)[NH+](C)C 259464216 573473520 /nfs/dbraw/zinc/47/35/20/573473520.db2.gz JVRJCSQCOAZXLN-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[C@@H]([C@H]1CCC[NH2+]C1)N(C)C 259464216 573473526 /nfs/dbraw/zinc/47/35/26/573473526.db2.gz JVRJCSQCOAZXLN-RYUDHWBXSA-N 1 3 198.354 1.962 10 0 ADAEHO C/C=C\CCN[C@]1(C[NH3+])CCCOC1 308391476 573473695 /nfs/dbraw/zinc/47/36/95/573473695.db2.gz MRNCIHVYMOZZAD-QUCGXOGASA-N 1 3 198.310 1.050 10 0 ADAEHO C[C@H]1CC[NH2+]CCCN1C1CC1 259463153 573473738 /nfs/dbraw/zinc/47/37/38/573473738.db2.gz QEFHSPAPZPJRLK-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CCNCCC[N@@H+]1C1CC1 259463153 573473740 /nfs/dbraw/zinc/47/37/40/573473740.db2.gz QEFHSPAPZPJRLK-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@H]1CCNCCC[N@H+]1C1CC1 259463153 573473746 /nfs/dbraw/zinc/47/37/46/573473746.db2.gz QEFHSPAPZPJRLK-VIFPVBQESA-N 1 3 168.284 1.223 10 0 ADAEHO CN1CCC[C@@H](C(F)(F)CC[NH3+])C1 107282142 573473836 /nfs/dbraw/zinc/47/38/36/573473836.db2.gz OQGGRYVFDONEEX-MRVPVSSYSA-N 1 3 192.253 1.312 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+]CCC(F)F 308392084 573473978 /nfs/dbraw/zinc/47/39/78/573473978.db2.gz YZIPQVIOQMGBDR-MRVPVSSYSA-N 1 3 194.269 1.462 10 0 ADAEHO CC(C)[C@H](C[NH3+])CNCCC(F)F 308392084 573473982 /nfs/dbraw/zinc/47/39/82/573473982.db2.gz YZIPQVIOQMGBDR-MRVPVSSYSA-N 1 3 194.269 1.462 10 0 ADAEHO CC(C)C[C@@H]([C@@H]1CCCNC1)[NH+](C)C 259464213 573474030 /nfs/dbraw/zinc/47/40/30/573474030.db2.gz JVRJCSQCOAZXLN-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[C@@H]([C@@H]1CCC[NH2+]C1)N(C)C 259464213 573474037 /nfs/dbraw/zinc/47/40/37/573474037.db2.gz JVRJCSQCOAZXLN-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)C[N@H+]1C[C@H]2CCC[C@H]2C1 126284877 573474221 /nfs/dbraw/zinc/47/42/21/573474221.db2.gz HBJLOCCMGRCRRF-SDDRHHMPSA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126284877 573474226 /nfs/dbraw/zinc/47/42/26/573474226.db2.gz HBJLOCCMGRCRRF-SDDRHHMPSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1CC[NH2+]CCCN1C1CC1 259463151 573474306 /nfs/dbraw/zinc/47/43/06/573474306.db2.gz QEFHSPAPZPJRLK-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@H]2N[C@H](C)CO2)C1 258668591 573474309 /nfs/dbraw/zinc/47/43/09/573474309.db2.gz STZVQTDZNDXWTR-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CCNCCC[N@@H+]1C1CC1 259463151 573474313 /nfs/dbraw/zinc/47/43/13/573474313.db2.gz QEFHSPAPZPJRLK-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@H]2N[C@H](C)CO2)C1 258668591 573474316 /nfs/dbraw/zinc/47/43/16/573474316.db2.gz STZVQTDZNDXWTR-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CCNCCC[N@H+]1C1CC1 259463151 573474318 /nfs/dbraw/zinc/47/43/18/573474318.db2.gz QEFHSPAPZPJRLK-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@@H]2N[C@@H](C)CO2)C1 258668583 573474351 /nfs/dbraw/zinc/47/43/51/573474351.db2.gz STZVQTDZNDXWTR-HBNTYKKESA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@@H]2N[C@@H](C)CO2)C1 258668583 573474358 /nfs/dbraw/zinc/47/43/58/573474358.db2.gz STZVQTDZNDXWTR-HBNTYKKESA-N 1 3 198.310 1.053 10 0 ADAEHO CN1CCC[C@H](C(F)(F)CC[NH3+])C1 107282139 573474389 /nfs/dbraw/zinc/47/43/89/573474389.db2.gz OQGGRYVFDONEEX-QMMMGPOBSA-N 1 3 192.253 1.312 10 0 ADAEHO CNC[C@H](C)C[NH+]1C[C@H]2CCC[C@@H]2C1 126285279 573474432 /nfs/dbraw/zinc/47/44/32/573474432.db2.gz HBJLOCCMGRCRRF-QJPTWQEYSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)[C@@H](CN)C[NH2+]CCC(F)F 308392087 573474671 /nfs/dbraw/zinc/47/46/71/573474671.db2.gz YZIPQVIOQMGBDR-QMMMGPOBSA-N 1 3 194.269 1.462 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CNCCC(F)F 308392087 573474675 /nfs/dbraw/zinc/47/46/75/573474675.db2.gz YZIPQVIOQMGBDR-QMMMGPOBSA-N 1 3 194.269 1.462 10 0 ADAEHO N[C@H](CC[NH2+]CCC1CC1)C1CC1 130119318 573474751 /nfs/dbraw/zinc/47/47/51/573474751.db2.gz IDJLJOXMURTMAE-LLVKDONJSA-N 1 3 182.311 1.504 10 0 ADAEHO C[NH2+][C@H](C)CNCCCC(F)(F)F 124446469 573475348 /nfs/dbraw/zinc/47/53/48/573475348.db2.gz VQMAMTRGYZFCEM-SSDOTTSWSA-N 1 3 198.232 1.526 10 0 ADAEHO CN[C@H](CCC[NH3+])c1ccc(C)o1 259100552 573475516 /nfs/dbraw/zinc/47/55/16/573475516.db2.gz AHFLZIFEPQNRHU-SECBINFHSA-N 1 3 182.267 1.587 10 0 ADAEHO N[C@@H](CC[NH2+]CCC1CC1)C1CC1 130119127 573475527 /nfs/dbraw/zinc/47/55/27/573475527.db2.gz IDJLJOXMURTMAE-NSHDSACASA-N 1 3 182.311 1.504 10 0 ADAEHO CC(C)C[C@H]([C@@H]1CCCNC1)[NH+](C)C 259464219 573479290 /nfs/dbraw/zinc/47/92/90/573479290.db2.gz JVRJCSQCOAZXLN-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[C@H]([C@@H]1CCC[NH2+]C1)N(C)C 259464219 573479297 /nfs/dbraw/zinc/47/92/97/573479297.db2.gz JVRJCSQCOAZXLN-VXGBXAGGSA-N 1 3 198.354 1.962 10 0 ADAEHO c1ccc(CCNCC2C[NH2+]C2)cc1 258669296 573479603 /nfs/dbraw/zinc/47/96/03/573479603.db2.gz HMSLHCWZLSRFOH-UHFFFAOYSA-N 1 3 190.290 1.038 10 0 ADAEHO c1ccc(CC[NH2+]CC2CNC2)cc1 258669296 573479609 /nfs/dbraw/zinc/47/96/09/573479609.db2.gz HMSLHCWZLSRFOH-UHFFFAOYSA-N 1 3 190.290 1.038 10 0 ADAEHO Cc1ccc([C@@H](N)C2C[NH2+]C2)cc1C 259470694 573485255 /nfs/dbraw/zinc/48/52/55/573485255.db2.gz RRRQHTFUDUSAMF-GFCCVEGCSA-N 1 3 190.290 1.523 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@H]2NCCCO2)C1 258399820 573485406 /nfs/dbraw/zinc/48/54/06/573485406.db2.gz IIGIGMRQHPJGBF-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@H]2NCCCO2)C1 258399820 573485416 /nfs/dbraw/zinc/48/54/16/573485416.db2.gz IIGIGMRQHPJGBF-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[C@H](CN)C[NH+]1C[C@H]2CCC[C@@H]2C1 126307564 573486021 /nfs/dbraw/zinc/48/60/21/573486021.db2.gz LIGQNPBPMQILKW-IJLUTSLNSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[C@H](CN)C[N@H+]1C[C@H]2CCC[C@H]2C1 126307117 573486138 /nfs/dbraw/zinc/48/61/38/573486138.db2.gz LIGQNPBPMQILKW-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO CC[C@H](CN)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126307117 573486142 /nfs/dbraw/zinc/48/61/42/573486142.db2.gz LIGQNPBPMQILKW-UTUOFQBUSA-N 1 3 196.338 1.703 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@H]2NCCCO2)C1 258399817 573486217 /nfs/dbraw/zinc/48/62/17/573486217.db2.gz IIGIGMRQHPJGBF-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@H]2NCCCO2)C1 258399817 573486221 /nfs/dbraw/zinc/48/62/21/573486221.db2.gz IIGIGMRQHPJGBF-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO CC(C)(CCN)[NH2+]C1CCC1 258674061 573486241 /nfs/dbraw/zinc/48/62/41/573486241.db2.gz AJOQMEGCPBAYBU-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO Cc1ccc([C@@H]([NH3+])C(C)(C)CN)cc1 259470660 573486450 /nfs/dbraw/zinc/48/64/50/573486450.db2.gz RRGRBOQNHCSAFB-LLVKDONJSA-N 1 3 192.306 1.980 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]C)C(C)(C)C1 259106849 573486577 /nfs/dbraw/zinc/48/65/77/573486577.db2.gz AZKHYYRFAGYRDF-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[NH2+]C[C@@H](CNC)C(C)C 258678606 573490750 /nfs/dbraw/zinc/49/07/50/573490750.db2.gz PDJKDFDUUDPMOM-SNVBAGLBSA-N 1 3 172.316 1.478 10 0 ADAEHO C[C@@H]([NH3+])[C@@](C)(F)C1CCN(C)CC1 257820047 573490937 /nfs/dbraw/zinc/49/09/37/573490937.db2.gz FOCPUHRMMRUODG-PSASIEDQSA-N 1 3 188.290 1.404 10 0 ADAEHO CCCC[C@@H]1C[C@@H]([NH3+])CCN1C 83426141 573493964 /nfs/dbraw/zinc/49/39/64/573493964.db2.gz FNGAUDKYJXEOIL-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H](CCCC[NH3+])N1CC[C@H](F)C1 689812658 573494066 /nfs/dbraw/zinc/49/40/66/573494066.db2.gz BBYABAHTQSMIJP-UWVGGRQHSA-N 1 3 188.290 1.548 10 0 ADAEHO CCCC[C@@H]1C[C@H](N)CC[N@@H+]1CC 83426094 573494116 /nfs/dbraw/zinc/49/41/16/573494116.db2.gz UXSOEVQVGBKWBA-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC(C)(C)C[NH2+]C[C@H](C)CN 258688177 573494120 /nfs/dbraw/zinc/49/41/20/573494120.db2.gz FOYIJDLCKJPQRV-SNVBAGLBSA-N 1 3 186.343 1.997 10 0 ADAEHO CCCC[C@@H]1C[C@H](N)CC[N@H+]1CC 83426094 573494121 /nfs/dbraw/zinc/49/41/21/573494121.db2.gz UXSOEVQVGBKWBA-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H]1C[C@H]([NH3+])CCN1CC 83426094 573494128 /nfs/dbraw/zinc/49/41/28/573494128.db2.gz UXSOEVQVGBKWBA-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO NC[C@@H]1CCC[C@H]1[NH2+]CCC(F)F 308394189 573494133 /nfs/dbraw/zinc/49/41/33/573494133.db2.gz CHFQUKVSYGFVQD-JGVFFNPUSA-N 1 3 192.253 1.359 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@H]1NCCC(F)F 308394189 573494138 /nfs/dbraw/zinc/49/41/38/573494138.db2.gz CHFQUKVSYGFVQD-JGVFFNPUSA-N 1 3 192.253 1.359 10 0 ADAEHO C[N@H+](CCC1CC1)[C@H]1CC[C@H](N)C1 308393671 573494384 /nfs/dbraw/zinc/49/43/84/573494384.db2.gz BZGAXTNQBAZVLL-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@H]1CC[C@H](N)C1 308393671 573494389 /nfs/dbraw/zinc/49/43/89/573494389.db2.gz BZGAXTNQBAZVLL-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(CCC1CC1)[C@H]1CC[C@H]([NH3+])C1 308393671 573494394 /nfs/dbraw/zinc/49/43/94/573494394.db2.gz BZGAXTNQBAZVLL-QWRGUYRKSA-N 1 3 182.311 1.598 10 0 ADAEHO CN[C@@H](c1cc[nH]c1)C(C)(C)C[NH3+] 259472956 573494410 /nfs/dbraw/zinc/49/44/10/573494410.db2.gz PHLVPSFLZJNKRD-VIFPVBQESA-N 1 3 181.283 1.260 10 0 ADAEHO C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)CN 259472956 573494414 /nfs/dbraw/zinc/49/44/14/573494414.db2.gz PHLVPSFLZJNKRD-VIFPVBQESA-N 1 3 181.283 1.260 10 0 ADAEHO CCCC[C@H]1C[C@H]([NH3+])CCN1C 83426140 573494457 /nfs/dbraw/zinc/49/44/57/573494457.db2.gz FNGAUDKYJXEOIL-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO Cc1ccc(CCNC[C@H](C)C[NH3+])o1 258694324 573494499 /nfs/dbraw/zinc/49/44/99/573494499.db2.gz GFDRZRHJJAMQTP-SECBINFHSA-N 1 3 196.294 1.315 10 0 ADAEHO Cc1ccc(CC[NH2+]C[C@H](C)CN)o1 258694324 573494503 /nfs/dbraw/zinc/49/45/03/573494503.db2.gz GFDRZRHJJAMQTP-SECBINFHSA-N 1 3 196.294 1.315 10 0 ADAEHO CC1(C)CCN(C2CC2)CCC[NH2+]1 259472549 573494522 /nfs/dbraw/zinc/49/45/22/573494522.db2.gz QXRGAUGDCWQUJP-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CCCC[NH2+]CC[C@@H]1CCCCN1 258687704 573494531 /nfs/dbraw/zinc/49/45/31/573494531.db2.gz IVWWPCPGPFDXJD-NSHDSACASA-N 1 3 184.327 1.908 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1CCCC1 258690311 573494543 /nfs/dbraw/zinc/49/45/43/573494543.db2.gz FUZJYHWOYGDWNV-VIFPVBQESA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@@H](CCCC[NH3+])N1CC[C@@H](F)C1 689812659 573494571 /nfs/dbraw/zinc/49/45/71/573494571.db2.gz BBYABAHTQSMIJP-VHSXEESVSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@H](CNC)C[NH2+]CC(C)C 258699570 573499956 /nfs/dbraw/zinc/49/99/56/573499956.db2.gz RGYRPFKECPQAQM-SNVBAGLBSA-N 1 3 172.316 1.478 10 0 ADAEHO CCCC[C@H]1[C@@H](N)CCC[N@@H+]1C 83428431 573500014 /nfs/dbraw/zinc/50/00/14/573500014.db2.gz XQFUBGCPIQRXAD-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[C@H]1[C@@H](N)CCC[N@H+]1C 83428431 573500019 /nfs/dbraw/zinc/50/00/19/573500019.db2.gz XQFUBGCPIQRXAD-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]1C[C@@H]([NH3+])CCN1c1ccncc1 83428606 573500033 /nfs/dbraw/zinc/50/00/33/573500033.db2.gz METSTHCWZQNQBI-UWVGGRQHSA-N 1 3 191.278 1.398 10 0 ADAEHO CC(C)([NH3+])CCNc1ccncc1 258696379 573500069 /nfs/dbraw/zinc/50/00/69/573500069.db2.gz GHGONQBNVBFADC-UHFFFAOYSA-N 1 3 179.267 1.621 10 0 ADAEHO C[C@H]1CCC[C@@](N)(C[NH3+])CC1 83428255 573500131 /nfs/dbraw/zinc/50/01/31/573500131.db2.gz OXHVXBCZXBHLCT-IUCAKERBSA-N 1 3 156.273 1.243 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)[C@@H]1CCCNC1 259108878 573500318 /nfs/dbraw/zinc/50/03/18/573500318.db2.gz ASTLOUNJCSUSGS-MNOVXSKESA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@H](C[NH3+])CNc1ccncc1 259108467 573500338 /nfs/dbraw/zinc/50/03/38/573500338.db2.gz XMGNGVNBMZGKRM-SECBINFHSA-N 1 3 179.267 1.478 10 0 ADAEHO CC[C@@]1([C@@H]2CCCN(C)C2)CCC[NH2+]1 258047070 573500412 /nfs/dbraw/zinc/50/04/12/573500412.db2.gz CVLTUOJESKUERM-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H](CNC)C[N@H+](C)CC(C)C 259110697 573500512 /nfs/dbraw/zinc/50/05/12/573500512.db2.gz XNZWBQBHVULRJG-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@H](CNC)C[N@@H+](C)CC(C)C 259110697 573500517 /nfs/dbraw/zinc/50/05/17/573500517.db2.gz XNZWBQBHVULRJG-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@H](C[NH2+]C)CN(C)CC(C)C 259110697 573500525 /nfs/dbraw/zinc/50/05/25/573500525.db2.gz XNZWBQBHVULRJG-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO C[C@@H](CN)C[NH2+]CCc1cccs1 258705689 573500580 /nfs/dbraw/zinc/50/05/80/573500580.db2.gz HIGVTMQFHLRPMH-VIFPVBQESA-N 1 3 198.335 1.475 10 0 ADAEHO C[C@@H](C[NH3+])CNCCc1cccs1 258705689 573500586 /nfs/dbraw/zinc/50/05/86/573500586.db2.gz HIGVTMQFHLRPMH-VIFPVBQESA-N 1 3 198.335 1.475 10 0 ADAEHO [NH3+]C1CCC(F)(CNC2CC2)CC1 257822012 573500687 /nfs/dbraw/zinc/50/06/87/573500687.db2.gz GAJFHOIFDZFDAX-UHFFFAOYSA-N 1 3 186.274 1.348 10 0 ADAEHO Cc1cccc([C@H]([NH3+])C(C)(C)N)c1 259476150 573500706 /nfs/dbraw/zinc/50/07/06/573500706.db2.gz SBRQFWFIIPFCBU-JTQLQIEISA-N 1 3 178.279 1.732 10 0 ADAEHO Cc1ccc(CCNCCC[NH3+])o1 258705810 573500733 /nfs/dbraw/zinc/50/07/33/573500733.db2.gz HKWIFOKEYGKRIZ-UHFFFAOYSA-N 1 3 182.267 1.069 10 0 ADAEHO CC[C@@H](C[NH3+])CNc1ccncc1 259108468 573500734 /nfs/dbraw/zinc/50/07/34/573500734.db2.gz XMGNGVNBMZGKRM-VIFPVBQESA-N 1 3 179.267 1.478 10 0 ADAEHO CCN1CCC[C@H]([C@@H]2[NH2+]C[C@H](C)O2)C1 258700793 573500809 /nfs/dbraw/zinc/50/08/09/573500809.db2.gz UPRBWOVJUJWNMF-GARJFASQSA-N 1 3 198.310 1.053 10 0 ADAEHO C/C=C\CNC[C@H](C)C[NH+]1CCCC1 308400603 573500908 /nfs/dbraw/zinc/50/09/08/573500908.db2.gz MAGHOIXLMJWYAQ-MVZIDQBPSA-N 1 3 196.338 1.884 10 0 ADAEHO C/C=C\C[NH2+]C[C@H](C)CN1CCCC1 308400603 573500917 /nfs/dbraw/zinc/50/09/17/573500917.db2.gz MAGHOIXLMJWYAQ-MVZIDQBPSA-N 1 3 196.338 1.884 10 0 ADAEHO CN[C@H](c1ccc(C)cc1)[C@@H](C)C[NH3+] 259477637 573501074 /nfs/dbraw/zinc/50/10/74/573501074.db2.gz PNOGHZAUIODARZ-JQWIXIFHSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1c1ccncc1 83428603 573501093 /nfs/dbraw/zinc/50/10/93/573501093.db2.gz METSTHCWZQNQBI-NXEZZACHSA-N 1 3 191.278 1.398 10 0 ADAEHO CCCC[C@@H]1[C@@H](N)CCC[N@@H+]1C 83428430 573501125 /nfs/dbraw/zinc/50/11/25/573501125.db2.gz XQFUBGCPIQRXAD-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[C@@H]1[C@@H](N)CCC[N@H+]1C 83428430 573501128 /nfs/dbraw/zinc/50/11/28/573501128.db2.gz XQFUBGCPIQRXAD-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@]1(C)C[C@H]1N1CC[C@@H](C[NH2+]C)C1 397338277 573501201 /nfs/dbraw/zinc/50/12/01/573501201.db2.gz CNRZOWBSZAMLNR-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CCC[C@@H]([NH+]2CCCC2)C1 86598840 573508801 /nfs/dbraw/zinc/50/88/01/573508801.db2.gz LCIFUSZDPXHTQO-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CCN1CC[C@@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258709141 573508940 /nfs/dbraw/zinc/50/89/40/573508940.db2.gz UVXKQUKDYYUSSB-NXEZZACHSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+][C@H](CC(C)C)C1(CN)CCC1 259110899 573509333 /nfs/dbraw/zinc/50/93/33/573509333.db2.gz AUYDDDLKXNCRMY-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N(C)C2CC2)C1 86599184 573509348 /nfs/dbraw/zinc/50/93/48/573509348.db2.gz BDBWOADKUQDUAT-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](N(C)C2CC2)C1 86618691 573519334 /nfs/dbraw/zinc/51/93/34/573519334.db2.gz SFWHVSDYLTXIJM-SCZZXKLOSA-N 1 3 168.284 1.221 10 0 ADAEHO Cc1ccccc1CCNC[C@H](C)[NH3+] 258736574 573519406 /nfs/dbraw/zinc/51/94/06/573519406.db2.gz KOTIFXWVBVNEPP-NSHDSACASA-N 1 3 192.306 1.474 10 0 ADAEHO CC[NH2+]C[C@H](CNC)C(C)C 258740496 573519505 /nfs/dbraw/zinc/51/95/05/573519505.db2.gz WDSITZMHMKJEMQ-VIFPVBQESA-N 1 3 158.289 1.088 10 0 ADAEHO CCNC[C@H](C[NH2+]C)C(C)C 258740496 573519510 /nfs/dbraw/zinc/51/95/10/573519510.db2.gz WDSITZMHMKJEMQ-VIFPVBQESA-N 1 3 158.289 1.088 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]([C@@H](F)CN)C1 257823166 573519512 /nfs/dbraw/zinc/51/95/12/573519512.db2.gz GNNBIKXUEDLNHV-ZJUUUORDSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]([C@@H](F)CN)C1 257823166 573519520 /nfs/dbraw/zinc/51/95/20/573519520.db2.gz GNNBIKXUEDLNHV-ZJUUUORDSA-N 1 3 188.290 1.404 10 0 ADAEHO C[NH2+][C@H]1CC[C@@H](N2CCCCC2)C1 86618447 573519560 /nfs/dbraw/zinc/51/95/60/573519560.db2.gz HCMRQHNQSFPIEH-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@H]1CC[C@@H]([NH+]2CCCCC2)C1 86618447 573519566 /nfs/dbraw/zinc/51/95/66/573519566.db2.gz HCMRQHNQSFPIEH-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@H]1CC[C@H]([NH+]2CCCC2)C1 86618292 573519674 /nfs/dbraw/zinc/51/96/74/573519674.db2.gz JKFCOSMNVSIJSB-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N2CCCC2)C1 86618292 573519680 /nfs/dbraw/zinc/51/96/80/573519680.db2.gz JKFCOSMNVSIJSB-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN(C)[C@@H]1CC[C@H]([NH2+]C)C1 86618663 573519723 /nfs/dbraw/zinc/51/97/23/573519723.db2.gz LWKQBILVRFNWLI-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H]1CN2CCCC[C@@H]2CC[NH2+]1 107331414 573532098 /nfs/dbraw/zinc/53/20/98/573532098.db2.gz UXBNGOSEKZAXIZ-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CN1CC[C@@H]([NH3+])CC12CCCC2 107331403 573532431 /nfs/dbraw/zinc/53/24/31/573532431.db2.gz AEEBCEPEYSDIFD-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)C)C1(C)C 259491547 573532621 /nfs/dbraw/zinc/53/26/21/573532621.db2.gz SCRDGMBLLIAWCK-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)C)C1(C)C 259491547 573532622 /nfs/dbraw/zinc/53/26/22/573532622.db2.gz SCRDGMBLLIAWCK-SNVBAGLBSA-N 1 3 184.327 1.715 10 0 ADAEHO Cc1ccc([C@H](N)CCC[NH3+])o1 259494555 573536804 /nfs/dbraw/zinc/53/68/04/573536804.db2.gz TZKDPCYCLVULEG-MRVPVSSYSA-N 1 3 168.240 1.327 10 0 ADAEHO CCCCC[NH2+]C[C@@H](CC)CN 258761887 573537257 /nfs/dbraw/zinc/53/72/57/573537257.db2.gz YACVXHJWPRTAPU-JTQLQIEISA-N 1 3 172.316 1.751 10 0 ADAEHO CCCCC[NH2+]C[C@H](CC)CN 258761890 573537314 /nfs/dbraw/zinc/53/73/14/573537314.db2.gz YACVXHJWPRTAPU-SNVBAGLBSA-N 1 3 172.316 1.751 10 0 ADAEHO COc1ccc(C[NH3+])cc1[C@@H](C)N 257829476 573537524 /nfs/dbraw/zinc/53/75/24/573537524.db2.gz IXNYTBHQZVJNTR-SSDOTTSWSA-N 1 3 180.251 1.174 10 0 ADAEHO CC[C@H](CNC)[C@@H]([NH2+]C)C(C)(C)C 259104949 573537752 /nfs/dbraw/zinc/53/77/52/573537752.db2.gz FGUDAQAALTXRMN-NXEZZACHSA-N 1 3 186.343 1.866 10 0 ADAEHO CN1CCC=C(CCC2([NH3+])CC2)C1 257829453 573537945 /nfs/dbraw/zinc/53/79/45/573537945.db2.gz IWOCWMCJUZFHCH-UHFFFAOYSA-N 1 3 180.295 1.520 10 0 ADAEHO CN[C@H](C[C@H]1CCC[NH2+]1)C1CCC1 259493517 573538024 /nfs/dbraw/zinc/53/80/24/573538024.db2.gz RNLMVGMUDMQDSC-GHMZBOCLSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]([NH3+])CCNCCc1cccs1 258760998 573537469 /nfs/dbraw/zinc/53/74/69/573537469.db2.gz NFOIOEKACFCTEN-SECBINFHSA-N 1 3 198.335 1.618 10 0 ADAEHO Nc1ccncc1C1=C[C@@H]([NH3+])CC1 83548076 573546267 /nfs/dbraw/zinc/54/62/67/573546267.db2.gz HZFZFCJUYAWXIW-QMMMGPOBSA-N 1 3 175.235 1.168 10 0 ADAEHO CC1CN([C@H]2CC[NH2+]C3(CCC3)C2)C1 86662806 573549879 /nfs/dbraw/zinc/54/98/79/573549879.db2.gz JGPBWBVGJBHYPV-NSHDSACASA-N 1 3 194.322 1.613 10 0 ADAEHO CC1C[NH+]([C@H]2CCNC3(CCC3)C2)C1 86662806 573549885 /nfs/dbraw/zinc/54/98/85/573549885.db2.gz JGPBWBVGJBHYPV-NSHDSACASA-N 1 3 194.322 1.613 10 0 ADAEHO [NH3+]CC[C@@]1(c2cccc(F)c2)CCN1 258406560 573549894 /nfs/dbraw/zinc/54/98/94/573549894.db2.gz ZKILVNXYYBLKBH-NSHDSACASA-N 1 3 194.253 1.363 10 0 ADAEHO CCC1C[NH+](C2CCNCC2)C1 86662935 573549973 /nfs/dbraw/zinc/54/99/73/573549973.db2.gz AXQUPTJFLNUHMF-UHFFFAOYSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC1C[NH+]([C@@H](C)[C@@H]2CCCNC2)C1 86663289 573554707 /nfs/dbraw/zinc/55/47/07/573554707.db2.gz DKEQYRWKKLROSL-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[NH2+]C[C@@H](NC)C1CCCC1 259122834 573554790 /nfs/dbraw/zinc/55/47/90/573554790.db2.gz BHHMEDDFWOVTJZ-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[NH2+]C[C@H](NC)C1CCCC1 259122832 573554884 /nfs/dbraw/zinc/55/48/84/573554884.db2.gz BHHMEDDFWOVTJZ-JTQLQIEISA-N 1 3 170.300 1.374 10 0 ADAEHO [NH3+]C1CC(N2CCCCCC2)C1 86662788 573555157 /nfs/dbraw/zinc/55/51/57/573555157.db2.gz DCCUFPRVCKMRMK-UHFFFAOYSA-N 1 3 168.284 1.352 10 0 ADAEHO CC(C)C1CN(C2CC[NH2+]CC2)C1 86662941 573555243 /nfs/dbraw/zinc/55/52/43/573555243.db2.gz NKIPSYAJDMTOMZ-UHFFFAOYSA-N 1 3 182.311 1.326 10 0 ADAEHO CC(C)C1C[NH+](C2CCNCC2)C1 86662941 573555246 /nfs/dbraw/zinc/55/52/46/573555246.db2.gz NKIPSYAJDMTOMZ-UHFFFAOYSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1CN([C@@H](C)[C@@H]2CCC[NH2+]C2)C1 86663293 573555370 /nfs/dbraw/zinc/55/53/70/573555370.db2.gz VOXROWDEBZHVSX-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1C[NH+]([C@@H](C)[C@@H]2CCCNC2)C1 86663293 573555376 /nfs/dbraw/zinc/55/53/76/573555376.db2.gz VOXROWDEBZHVSX-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]([C@H]1CCCNC1)[NH+]1CCCCC1 86663284 573555412 /nfs/dbraw/zinc/55/54/12/573555412.db2.gz BWZARMZAICLBNR-NEPJUHHUSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC1CN([C@@H](C)[C@@H]2CCC[NH2+]C2)C1 86663289 573554700 /nfs/dbraw/zinc/55/47/00/573554700.db2.gz DKEQYRWKKLROSL-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO F[C@H]1CCNC[C@@H]1C[NH+]1CCCC1 257830610 573559962 /nfs/dbraw/zinc/55/99/62/573559962.db2.gz JIVCASMNNVVGHG-ZJUUUORDSA-N 1 3 186.274 1.030 10 0 ADAEHO F[C@H]1CC[NH2+]C[C@@H]1CN1CCCC1 257830610 573559967 /nfs/dbraw/zinc/55/99/67/573559967.db2.gz JIVCASMNNVVGHG-ZJUUUORDSA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@H]1CCN1Cc1ccccc1C[NH3+] 86678032 573560056 /nfs/dbraw/zinc/56/00/56/573560056.db2.gz AWSFZFUSAQGYLK-JTQLQIEISA-N 1 3 190.290 1.740 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@@H]1N1CC2(CC2)C1 86679897 573560079 /nfs/dbraw/zinc/56/00/79/573560079.db2.gz GNWKVMGORKNZIF-ZJUUUORDSA-N 1 3 180.295 1.210 10 0 ADAEHO C[NH2+][C@H](C[C@@H]1CCCCN1)C(C)C 259614281 573560175 /nfs/dbraw/zinc/56/01/75/573560175.db2.gz YOVMUSGJNPJNNB-WDEREUQCSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)C1C[NH+]([C@H]2CCC[C@@H]2N)C1 86678302 573560249 /nfs/dbraw/zinc/56/02/49/573560249.db2.gz FXPBCQOHPHOWDV-QWRGUYRKSA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCC[C@@H]2N)C1 86678261 573560370 /nfs/dbraw/zinc/56/03/70/573560370.db2.gz AVMLSJGCRRNVBK-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CC2(CC2)C1 86679899 573560435 /nfs/dbraw/zinc/56/04/35/573560435.db2.gz GNWKVMGORKNZIF-UWVGGRQHSA-N 1 3 180.295 1.210 10 0 ADAEHO Cc1ccc([C@@H](N)CC(C)(C)C[NH3+])o1 259508779 573560499 /nfs/dbraw/zinc/56/04/99/573560499.db2.gz UYOQQJHKVAOJCJ-VIFPVBQESA-N 1 3 196.294 1.963 10 0 ADAEHO C[NH2+][C@@H](C[C@@H]1CCCCN1)C(C)C 259614279 573560556 /nfs/dbraw/zinc/56/05/56/573560556.db2.gz YOVMUSGJNPJNNB-QWRGUYRKSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC1C[NH+]([C@H]2CCC[C@H]2CN)C1 86679831 573560631 /nfs/dbraw/zinc/56/06/31/573560631.db2.gz UCWUQXUYKCDNBV-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CC1C[NH+]([C@H]2CCCCC[C@H]2N)C1 86678536 573560699 /nfs/dbraw/zinc/56/06/99/573560699.db2.gz IRKOODKTQBKQKG-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CN([C@H]2CCCC[C@H]2C[NH3+])C1 86680006 573565440 /nfs/dbraw/zinc/56/54/40/573565440.db2.gz DGNDKEFITDDQOZ-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[NH+]([C@H]2CCCC[C@H]2CN)C1 86680006 573565445 /nfs/dbraw/zinc/56/54/45/573565445.db2.gz DGNDKEFITDDQOZ-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCCC[C@H]2CN)C1 86679928 573565469 /nfs/dbraw/zinc/56/54/69/573565469.db2.gz SUQJIBPWEFQNAA-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](CC[NH3+])N1CC2(CCC2)C1 86681959 573565516 /nfs/dbraw/zinc/56/55/16/573565516.db2.gz PVSKBBNCVWABBK-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CCC1CN([C@H](C)CC[NH3+])C1 86681925 573565537 /nfs/dbraw/zinc/56/55/37/573565537.db2.gz AVFHNSKYCAKLDC-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC1CN([C@@H](C)CC[NH3+])C1 86681923 573565625 /nfs/dbraw/zinc/56/56/25/573565625.db2.gz AVFHNSKYCAKLDC-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@@]2(C)NCCO2)C1 258781091 573565638 /nfs/dbraw/zinc/56/56/38/573565638.db2.gz XEGRCQPMNXFYRJ-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@@]2(C)NCCO2)C1 258781091 573565642 /nfs/dbraw/zinc/56/56/42/573565642.db2.gz XEGRCQPMNXFYRJ-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@H](C1CC1)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238432215 573565762 /nfs/dbraw/zinc/56/57/62/573565762.db2.gz PTCGYHQIMQCUOG-KXGXSXBTSA-N 1 3 194.322 1.739 10 0 ADAEHO C[C@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238432215 573565770 /nfs/dbraw/zinc/56/57/70/573565770.db2.gz PTCGYHQIMQCUOG-KXGXSXBTSA-N 1 3 194.322 1.739 10 0 ADAEHO CCC[C@@H](C[C@@H]1CCC[NH2+]1)NC 259512127 573565823 /nfs/dbraw/zinc/56/58/23/573565823.db2.gz SVIVNWRIVVBPEA-UWVGGRQHSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@H]1CCN1Cc1cccc(C[NH3+])c1 86681820 573565946 /nfs/dbraw/zinc/56/59/46/573565946.db2.gz LMEMAOQHFCMGAG-JTQLQIEISA-N 1 3 190.290 1.740 10 0 ADAEHO CC1C[NH+]([C@H]2CCCC[C@H]2CN)C1 86679940 573566031 /nfs/dbraw/zinc/56/60/31/573566031.db2.gz UFMFYJDTGHLSOL-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC1C[NH+]([C@H]2CCCC[C@H]2CN)C1 86679930 573566044 /nfs/dbraw/zinc/56/60/44/573566044.db2.gz SUQJIBPWEFQNAA-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1=CCN(C[C@H]2CCC[NH2+]C2)CC1 75423269 573568368 /nfs/dbraw/zinc/56/83/68/573568368.db2.gz FXRJBSCEKKBHIG-LBPRGKRZSA-N 1 3 194.322 1.638 10 0 ADAEHO CC1=CC[N@H+](C[C@H]2CCCNC2)CC1 75423269 573568372 /nfs/dbraw/zinc/56/83/72/573568372.db2.gz FXRJBSCEKKBHIG-LBPRGKRZSA-N 1 3 194.322 1.638 10 0 ADAEHO CC1=CC[N@@H+](C[C@H]2CCCNC2)CC1 75423269 573568378 /nfs/dbraw/zinc/56/83/78/573568378.db2.gz FXRJBSCEKKBHIG-LBPRGKRZSA-N 1 3 194.322 1.638 10 0 ADAEHO CC[C@H](CC[NH3+])N1CC(C)C1 86682205 573568428 /nfs/dbraw/zinc/56/84/28/573568428.db2.gz PBXOTVONHFIQIR-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H](CCN)[NH+]1CC(C)C1 86682205 573568436 /nfs/dbraw/zinc/56/84/36/573568436.db2.gz PBXOTVONHFIQIR-SECBINFHSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1CCN1Cc1ccc(C[NH3+])cc1 86681848 573568485 /nfs/dbraw/zinc/56/84/85/573568485.db2.gz RWRPLFAZNUUSRR-JTQLQIEISA-N 1 3 190.290 1.740 10 0 ADAEHO CNC[C@H](C[NH2+]C(C)C)C(C)C 258778939 573568592 /nfs/dbraw/zinc/56/85/92/573568592.db2.gz ZNSLXBGWMXAMKU-SNVBAGLBSA-N 1 3 172.316 1.476 10 0 ADAEHO CC1(C)CN([C@@H]2CCCC[C@H]2C[NH3+])C1 86680003 573568753 /nfs/dbraw/zinc/56/87/53/573568753.db2.gz DGNDKEFITDDQOZ-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[NH+]([C@@H]2CCCC[C@H]2CN)C1 86680003 573568755 /nfs/dbraw/zinc/56/87/55/573568755.db2.gz DGNDKEFITDDQOZ-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C1CC1)[NH+]1CCC(NC)CC1 308624408 573568874 /nfs/dbraw/zinc/56/88/74/573568874.db2.gz ZIOBMUUTEZOIID-GFCCVEGCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](C1CC1)N1CCC([NH2+]C)CC1 308624408 573568881 /nfs/dbraw/zinc/56/88/81/573568881.db2.gz ZIOBMUUTEZOIID-GFCCVEGCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1C[NH+]([C@@H]2CCCC[C@H]2CN)C1 86679936 573568997 /nfs/dbraw/zinc/56/89/97/573568997.db2.gz UFMFYJDTGHLSOL-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCN1Cc1ccc(C[NH3+])cc1 86681846 573569814 /nfs/dbraw/zinc/56/98/14/573569814.db2.gz RWRPLFAZNUUSRR-SNVBAGLBSA-N 1 3 190.290 1.740 10 0 ADAEHO C[C@@H](C[NH3+])CN1CC2(CCCCC2)C1 86682152 573569825 /nfs/dbraw/zinc/56/98/25/573569825.db2.gz KYXWYJLTHGTHQR-NSHDSACASA-N 1 3 196.338 1.847 10 0 ADAEHO [NH3+]C[C@@H]1CCCC[C@H]1N1CC2(CC2)C1 86679985 573569987 /nfs/dbraw/zinc/56/99/87/573569987.db2.gz XOUZWROIOLRMJN-WDEREUQCSA-N 1 3 194.322 1.600 10 0 ADAEHO NC[C@]1(F)CC[N@@H+]2CCCC[C@H]2C1 257832324 573570013 /nfs/dbraw/zinc/57/00/13/573570013.db2.gz JZHVIEGDFIDQEG-UWVGGRQHSA-N 1 3 186.274 1.302 10 0 ADAEHO NC[C@]1(F)CC[N@H+]2CCCC[C@H]2C1 257832324 573570021 /nfs/dbraw/zinc/57/00/21/573570021.db2.gz JZHVIEGDFIDQEG-UWVGGRQHSA-N 1 3 186.274 1.302 10 0 ADAEHO C[C@@H](C[NH3+])CN1CC2(CCCC2)C1 86682113 573570048 /nfs/dbraw/zinc/57/00/48/573570048.db2.gz OHICYMDVRHBNON-JTQLQIEISA-N 1 3 182.311 1.457 10 0 ADAEHO C[C@H](C[NH3+])CN1CC2(CCCC2)C1 86682115 573570113 /nfs/dbraw/zinc/57/01/13/573570113.db2.gz OHICYMDVRHBNON-SNVBAGLBSA-N 1 3 182.311 1.457 10 0 ADAEHO CC1(C)CN([C@@H]2CCCC[C@@H]2C[NH3+])C1 86680000 573570175 /nfs/dbraw/zinc/57/01/75/573570175.db2.gz DGNDKEFITDDQOZ-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)C[NH+]([C@@H]2CCCC[C@@H]2CN)C1 86680000 573570182 /nfs/dbraw/zinc/57/01/82/573570182.db2.gz DGNDKEFITDDQOZ-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CNCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@H]2C1 126568077 573570275 /nfs/dbraw/zinc/57/02/75/573570275.db2.gz TWHSXIWNONIRKS-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNCC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126568077 573570279 /nfs/dbraw/zinc/57/02/79/573570279.db2.gz TWHSXIWNONIRKS-UTUOFQBUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CCN)[NH2+]C(C)C 86682254 573570318 /nfs/dbraw/zinc/57/03/18/573570318.db2.gz DXTFYRZJUZHKQO-QMMMGPOBSA-N 1 3 144.262 1.112 10 0 ADAEHO CCC1C[NH+]([C@H]2CCCC[C@@H]2CN)C1 86679927 573570365 /nfs/dbraw/zinc/57/03/65/573570365.db2.gz SUQJIBPWEFQNAA-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(C)[N@@H+]1C[C@@H](CN)CC1(C)C 259515778 573570375 /nfs/dbraw/zinc/57/03/75/573570375.db2.gz UWIPDRXQMSKLTP-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)(C)[N@H+]1C[C@@H](CN)CC1(C)C 259515778 573570378 /nfs/dbraw/zinc/57/03/78/573570378.db2.gz UWIPDRXQMSKLTP-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+][C@@H](C1CCCC1)[C@H]1CCCCN1 259513202 573573388 /nfs/dbraw/zinc/57/33/88/573573388.db2.gz VGRDMQASZJHARB-MNOVXSKESA-N 1 3 182.311 1.646 10 0 ADAEHO C[C@@](F)(CN)CC1CC[NH2+]CC1 257832380 573573710 /nfs/dbraw/zinc/57/37/10/573573710.db2.gz KBTAGFXOTXFZMT-VIFPVBQESA-N 1 3 174.263 1.063 10 0 ADAEHO CCC[NH2+][C@@H]1CCNC(C)(C)C1 258796453 573577035 /nfs/dbraw/zinc/57/70/35/573577035.db2.gz SGWTUJGOOYOMSG-SECBINFHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC(C)(C[NH2+]CCCN)c1ccc[nH]1 258794620 573577060 /nfs/dbraw/zinc/57/70/60/573577060.db2.gz QNIKPQYUPBVUQS-UHFFFAOYSA-N 1 3 195.310 1.231 10 0 ADAEHO CC(C)(CNCCC[NH3+])c1ccc[nH]1 258794620 573577065 /nfs/dbraw/zinc/57/70/65/573577065.db2.gz QNIKPQYUPBVUQS-UHFFFAOYSA-N 1 3 195.310 1.231 10 0 ADAEHO C[C@H](CCCC[NH3+])NCc1ncc[nH]1 308636839 573577203 /nfs/dbraw/zinc/57/72/03/573577203.db2.gz BFHGCDDQVNINEG-SECBINFHSA-N 1 3 196.298 1.017 10 0 ADAEHO CC(C)[NH2+]Cc1ccnc(CN)c1 130440629 573577453 /nfs/dbraw/zinc/57/74/53/573577453.db2.gz OIGFIUCWIPYFDZ-UHFFFAOYSA-N 1 3 179.267 1.038 10 0 ADAEHO C[N@@H+]1CCC[C@@H]([C@@](C)(F)CN)C1 257833001 573577458 /nfs/dbraw/zinc/57/74/58/573577458.db2.gz KGTBXLFNIIEYPT-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@@H]([C@@](C)(F)CN)C1 257833001 573577462 /nfs/dbraw/zinc/57/74/62/573577462.db2.gz KGTBXLFNIIEYPT-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]Cc1ccnc(CN)c1 130452743 573584063 /nfs/dbraw/zinc/58/40/63/573584063.db2.gz BSWUYKWWXALCHA-LDYMZIIASA-N 1 3 191.278 1.038 10 0 ADAEHO CCC(CC)C[NH2+]CC1CNC1 130451410 573584128 /nfs/dbraw/zinc/58/41/28/573584128.db2.gz ISLLGOYZHAWLDT-UHFFFAOYSA-N 1 3 170.300 1.232 10 0 ADAEHO C/C=C\C[NH2+]C[C@@H]1CCN(C2CC2)C1 308403554 573585771 /nfs/dbraw/zinc/58/57/71/573585771.db2.gz DSWXBONDUVLKCQ-QUCGXOGASA-N 1 3 194.322 1.636 10 0 ADAEHO C/C=C\CNC[C@@H]1CC[N@@H+](C2CC2)C1 308403554 573585778 /nfs/dbraw/zinc/58/57/78/573585778.db2.gz DSWXBONDUVLKCQ-QUCGXOGASA-N 1 3 194.322 1.636 10 0 ADAEHO C/C=C\CNC[C@@H]1CC[N@H+](C2CC2)C1 308403554 573585782 /nfs/dbraw/zinc/58/57/82/573585782.db2.gz DSWXBONDUVLKCQ-QUCGXOGASA-N 1 3 194.322 1.636 10 0 ADAEHO C[C@H]1C[C@H]1[NH2+]Cc1ccnc(CN)c1 130452934 573586462 /nfs/dbraw/zinc/58/64/62/573586462.db2.gz BSWUYKWWXALCHA-GZMMTYOYSA-N 1 3 191.278 1.038 10 0 ADAEHO CCC[C@@H]([NH3+])C(C)(C)CN 259520104 573586500 /nfs/dbraw/zinc/58/65/00/573586500.db2.gz VUBWQUFNBFWYJD-SSDOTTSWSA-N 1 3 144.262 1.099 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CCNC[C@H]1C 308640914 573587490 /nfs/dbraw/zinc/58/74/90/573587490.db2.gz CYNBBIVZCTUMOU-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC(CC)(C[NH3+])CN1CC=CC1 308404873 573587493 /nfs/dbraw/zinc/58/74/93/573587493.db2.gz LCZDZYCIUAGETA-UHFFFAOYSA-N 1 3 182.311 1.623 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CCNC[C@H]1C 308640914 573587495 /nfs/dbraw/zinc/58/74/95/573587495.db2.gz CYNBBIVZCTUMOU-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC(CC)(CN)C[NH+]1CC=CC1 308404873 573587500 /nfs/dbraw/zinc/58/75/00/573587500.db2.gz LCZDZYCIUAGETA-UHFFFAOYSA-N 1 3 182.311 1.623 10 0 ADAEHO CCC[C@H]([NH3+])C(C)(C)CN 259520107 573587593 /nfs/dbraw/zinc/58/75/93/573587593.db2.gz VUBWQUFNBFWYJD-ZETCQYMHSA-N 1 3 144.262 1.099 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CCNC[C@@H]1C 308640912 573587643 /nfs/dbraw/zinc/58/76/43/573587643.db2.gz CYNBBIVZCTUMOU-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@@H](C[NH2+]CC1CCC1)C(C)C 259116921 573587652 /nfs/dbraw/zinc/58/76/52/573587652.db2.gz YBDIXPJIXJKNOJ-LBPRGKRZSA-N 1 3 198.354 1.868 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CCNC[C@@H]1C 308640912 573587654 /nfs/dbraw/zinc/58/76/54/573587654.db2.gz CYNBBIVZCTUMOU-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO Cc1ccc(CCNCC[C@@H](C)[NH3+])o1 258805176 573587660 /nfs/dbraw/zinc/58/76/60/573587660.db2.gz RUUCQXGQHKHZKN-SECBINFHSA-N 1 3 196.294 1.457 10 0 ADAEHO C[C@H]([NH3+])CCCN(C)Cc1ccc[nH]1 258802653 573587802 /nfs/dbraw/zinc/58/78/02/573587802.db2.gz CYIKEZYLOLXVTA-JTQLQIEISA-N 1 3 195.310 1.574 10 0 ADAEHO CCC[NH2+][C@H]1CCNC(C)(C)C1 258796455 573587935 /nfs/dbraw/zinc/58/79/35/573587935.db2.gz SGWTUJGOOYOMSG-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](N)C(C)C 259519587 573587959 /nfs/dbraw/zinc/58/79/59/573587959.db2.gz SCCBWIKOWJSADL-RKDXNWHRSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@H](CNC)[C@H]([NH3+])C(C)C 259519587 573587965 /nfs/dbraw/zinc/58/79/65/573587965.db2.gz SCCBWIKOWJSADL-RKDXNWHRSA-N 1 3 158.289 1.215 10 0 ADAEHO C[C@@H]1CO[C@H](C[C@@H]2CCC[N@H+](C)C2)N1 258800040 573588040 /nfs/dbraw/zinc/58/80/40/573588040.db2.gz YBMZJHGOYPLZAA-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@H](C[C@@H]2CCC[N@@H+](C)C2)N1 258800040 573588044 /nfs/dbraw/zinc/58/80/44/573588044.db2.gz YBMZJHGOYPLZAA-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO CNC[C@H](C[NH2+]CC1CCC1)C(C)C 259116919 573590830 /nfs/dbraw/zinc/59/08/30/573590830.db2.gz YBDIXPJIXJKNOJ-GFCCVEGCSA-N 1 3 198.354 1.868 10 0 ADAEHO C[NH2+][C@@H](C)CC1=CCN(C)CC1 258063984 573590932 /nfs/dbraw/zinc/59/09/32/573590932.db2.gz LYVTWYSSYSNUBD-VIFPVBQESA-N 1 3 168.284 1.246 10 0 ADAEHO C[N@@H+]1CC[C@@H](C[C@H]2NCC(C)(C)O2)C1 258808923 573592261 /nfs/dbraw/zinc/59/22/61/573592261.db2.gz YGXMYTGIKMBMEY-UWVGGRQHSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@@H](C[C@H]2NCC(C)(C)O2)C1 258808923 573592264 /nfs/dbraw/zinc/59/22/64/573592264.db2.gz YGXMYTGIKMBMEY-UWVGGRQHSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H](C[NH3+])CN1CCC[C@H]2CCC[C@@H]21 83699954 573592275 /nfs/dbraw/zinc/59/22/75/573592275.db2.gz JNRUWLOFZDMSKW-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+]CCC1(CN2CC[C@H](F)C2)CC1 689908681 573592394 /nfs/dbraw/zinc/59/23/94/573592394.db2.gz JRBRCWNRVUUYGT-VIFPVBQESA-N 1 3 186.274 1.159 10 0 ADAEHO C[C@H](CN)C[N@H+](C)CCc1ccc[nH]1 258814297 573594074 /nfs/dbraw/zinc/59/40/74/573594074.db2.gz SUVKEQIWNURALZ-SNVBAGLBSA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)CCc1ccc[nH]1 258814297 573594082 /nfs/dbraw/zinc/59/40/82/573594082.db2.gz SUVKEQIWNURALZ-SNVBAGLBSA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CCc1ccc[nH]1 258814294 573594363 /nfs/dbraw/zinc/59/43/63/573594363.db2.gz SUVKEQIWNURALZ-JTQLQIEISA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CCc1ccc[nH]1 258814294 573594367 /nfs/dbraw/zinc/59/43/67/573594367.db2.gz SUVKEQIWNURALZ-JTQLQIEISA-N 1 3 195.310 1.084 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)[C@@H]1C 86730558 573594457 /nfs/dbraw/zinc/59/44/57/573594457.db2.gz HGKIKDQAUREUMJ-KKOKHZNYSA-N 1 3 196.338 1.763 10 0 ADAEHO CN1CCC[C@@H](C(=O)CC(C)(C)[NH3+])C1 259136338 573594552 /nfs/dbraw/zinc/59/45/52/573594552.db2.gz JWEQPZZKIXAIEF-SECBINFHSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)[C@@H]1C 86730544 573594596 /nfs/dbraw/zinc/59/45/96/573594596.db2.gz ZLJRWNYWZZDAOB-DBIOUOCHSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCNC1 86730754 573594638 /nfs/dbraw/zinc/59/46/38/573594638.db2.gz OCQZWORXDKWFDR-UTUOFQBUSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@H]1C[N@H+](C)[C@@H]2CCCC[C@@H]2CN1 82394917 573598231 /nfs/dbraw/zinc/59/82/31/573598231.db2.gz JAMGCTPZONGPGB-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1C[N@@H+](C)[C@@H]2CCCC[C@@H]2CN1 82394917 573598234 /nfs/dbraw/zinc/59/82/34/573598234.db2.gz JAMGCTPZONGPGB-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CN(C)[C@@H]2CCCC[C@@H]2C[NH2+]1 82394917 573598239 /nfs/dbraw/zinc/59/82/39/573598239.db2.gz JAMGCTPZONGPGB-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]([NH3+])CCN1CCC[C@H]2CCC[C@@H]21 83700392 573598705 /nfs/dbraw/zinc/59/87/05/573598705.db2.gz ZWZPGLJAKFSERG-TUAOUCFPSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@H](CN)C(C)C 259124050 573602306 /nfs/dbraw/zinc/60/23/06/573602306.db2.gz GMKNIOQIVKMREX-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO [NH3+]CCCN1CCC[C@@H](F)CC1 258066926 573602561 /nfs/dbraw/zinc/60/25/61/573602561.db2.gz LBBSQVKOYFHOQG-SECBINFHSA-N 1 3 174.263 1.159 10 0 ADAEHO NCCC[N@@H+]1CCC[C@@H](F)CC1 258066926 573602566 /nfs/dbraw/zinc/60/25/66/573602566.db2.gz LBBSQVKOYFHOQG-SECBINFHSA-N 1 3 174.263 1.159 10 0 ADAEHO NCCC[N@H+]1CCC[C@@H](F)CC1 258066926 573602571 /nfs/dbraw/zinc/60/25/71/573602571.db2.gz LBBSQVKOYFHOQG-SECBINFHSA-N 1 3 174.263 1.159 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@H](CN)C(C)C 259124058 573602650 /nfs/dbraw/zinc/60/26/50/573602650.db2.gz GMKNIOQIVKMREX-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@@H]1[C@H]2CCC[C@@H]2[NH2+]CCN1C 238447546 573607170 /nfs/dbraw/zinc/60/71/70/573607170.db2.gz UKVVIKJZHSFKPP-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[C@H]2CCC[C@@H]2NCC[N@@H+]1C 238447546 573607174 /nfs/dbraw/zinc/60/71/74/573607174.db2.gz UKVVIKJZHSFKPP-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1[C@H]2CCC[C@@H]2NCC[N@H+]1C 238447546 573607179 /nfs/dbraw/zinc/60/71/79/573607179.db2.gz UKVVIKJZHSFKPP-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO C[NH2+]CC(C)(C)NC(C)(C)C 75543890 573609897 /nfs/dbraw/zinc/60/98/97/573609897.db2.gz HODUFERJZSRBHU-UHFFFAOYSA-N 1 3 158.289 1.373 10 0 ADAEHO Cc1ccc([C@H](N)C[C@@H](C)[NH3+])cc1 259130038 573609926 /nfs/dbraw/zinc/60/99/26/573609926.db2.gz CIIPADPZMQIJJW-MWLCHTKSSA-N 1 3 178.279 1.732 10 0 ADAEHO CC[N@@H+]1CCC(C)(C)[C@@H](CN)C1 259141211 573610173 /nfs/dbraw/zinc/61/01/73/573610173.db2.gz DQXWPNPNULVKJI-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC[N@H+]1CCC(C)(C)[C@@H](CN)C1 259141211 573610178 /nfs/dbraw/zinc/61/01/78/573610178.db2.gz DQXWPNPNULVKJI-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CCN1CCC(C)(C)[C@@H](C[NH3+])C1 259141211 573610181 /nfs/dbraw/zinc/61/01/81/573610181.db2.gz DQXWPNPNULVKJI-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC1(C)CC[C@@H]([NH3+])C(C)(C)N1 142760229 573610214 /nfs/dbraw/zinc/61/02/14/573610214.db2.gz YGRYZPZBLXHLEH-SSDOTTSWSA-N 1 3 156.273 1.254 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H]1CCCCN1 259528982 573611792 /nfs/dbraw/zinc/61/17/92/573611792.db2.gz WGOITRUPFSUCJD-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO Cc1ccc([C@H](N)C[C@H](C)[NH3+])cc1 259130034 573611164 /nfs/dbraw/zinc/61/11/64/573611164.db2.gz CIIPADPZMQIJJW-GXSJLCMTSA-N 1 3 178.279 1.732 10 0 ADAEHO CCn1ccnc1NCCC[NH+](C)C 50608362 573611275 /nfs/dbraw/zinc/61/12/75/573611275.db2.gz MHWVAMGFBPWVSK-UHFFFAOYSA-N 1 3 196.298 1.267 10 0 ADAEHO CCC[C@H]([NH3+])[C@H]1CCCCN1 259528981 573611345 /nfs/dbraw/zinc/61/13/45/573611345.db2.gz WGOITRUPFSUCJD-DTWKUNHWSA-N 1 3 156.273 1.256 10 0 ADAEHO CCn1ccnc1NCCCC[NH3+] 50608076 573611491 /nfs/dbraw/zinc/61/14/91/573611491.db2.gz QCHMHSXDKDFTTC-UHFFFAOYSA-N 1 3 182.271 1.054 10 0 ADAEHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(O)cc1 308658350 573622966 /nfs/dbraw/zinc/62/29/66/573622966.db2.gz OOPSWVKEKKOXBU-IUCAKERBSA-N 1 3 194.278 1.218 10 0 ADAEHO [NH3+]C[C@@]1(NC2CCCC2)CCCOC1 83762255 573622333 /nfs/dbraw/zinc/62/23/33/573622333.db2.gz QFNUCBZWJBELMR-NSHDSACASA-N 1 3 198.310 1.027 10 0 ADAEHO COc1ccc([C@@H](C)[NH3+])cc1CN 257834138 573622402 /nfs/dbraw/zinc/62/24/02/573622402.db2.gz KODDTIFRXOTQKI-SSDOTTSWSA-N 1 3 180.251 1.174 10 0 ADAEHO C[NH2+]CC1([C@@H](N)C2CCCC2)CC1 259532303 573622905 /nfs/dbraw/zinc/62/29/05/573622905.db2.gz SWPFPWISPAPBOM-JTQLQIEISA-N 1 3 182.311 1.504 10 0 ADAEHO CNCC1([C@@H]([NH3+])C2CCCC2)CC1 259532303 573622909 /nfs/dbraw/zinc/62/29/09/573622909.db2.gz SWPFPWISPAPBOM-JTQLQIEISA-N 1 3 182.311 1.504 10 0 ADAEHO Cc1ccc([C@@H](N)CC[C@@H](C)[NH3+])o1 259532701 573629000 /nfs/dbraw/zinc/62/90/00/573629000.db2.gz WLXFXLIUQXZNRA-APPZFPTMSA-N 1 3 182.267 1.715 10 0 ADAEHO CC[C@](C)(N)C[N@H+](C)C(C)C 86808841 573629391 /nfs/dbraw/zinc/62/93/91/573629391.db2.gz UFFQOPJZCAXJNU-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@](C)(N)C[N@@H+](C)C(C)C 86808841 573629394 /nfs/dbraw/zinc/62/93/94/573629394.db2.gz UFFQOPJZCAXJNU-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO Cc1ccc([C@@H](N)CC[C@H](C)[NH3+])o1 259532704 573629579 /nfs/dbraw/zinc/62/95/79/573629579.db2.gz WLXFXLIUQXZNRA-CBAPKCEASA-N 1 3 182.267 1.715 10 0 ADAEHO CCc1ccc([C@H](N)C[C@H](C)[NH3+])cc1 259144256 573632157 /nfs/dbraw/zinc/63/21/57/573632157.db2.gz CWNVKWUUAPYTSI-JOYOIKCWSA-N 1 3 192.306 1.986 10 0 ADAEHO CCCCC[NH2+]C[C@H](C)CN 258825752 573632212 /nfs/dbraw/zinc/63/22/12/573632212.db2.gz VKMNNVHEUVAZJX-SECBINFHSA-N 1 3 158.289 1.361 10 0 ADAEHO CC[C@@](C)(N)C[NH+]1CCCCC1 86808884 573632266 /nfs/dbraw/zinc/63/22/66/573632266.db2.gz NADHDHYLRGRHRN-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@](C)([NH3+])CN1CC[C@H](C)C1 86809385 573632370 /nfs/dbraw/zinc/63/23/70/573632370.db2.gz SHRBYKFFMHEAIL-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@](C)(N)C[NH2+]Cc1ccccc1 86809347 573632389 /nfs/dbraw/zinc/63/23/89/573632389.db2.gz PNBZCQMBGFUVGK-LBPRGKRZSA-N 1 3 192.306 1.904 10 0 ADAEHO CN[C@@H](CCC[NH2+]C)c1ccc(C)o1 259536248 573632445 /nfs/dbraw/zinc/63/24/45/573632445.db2.gz UWXGGMCUXAWZGW-JTQLQIEISA-N 1 3 196.294 1.848 10 0 ADAEHO CC[C@](C)([NH3+])CN1CCCC1 86808722 573632509 /nfs/dbraw/zinc/63/25/09/573632509.db2.gz CKBGTEHZFQBCMW-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CC[C@](C)([NH3+])CNC1CCC1 86810161 573632658 /nfs/dbraw/zinc/63/26/58/573632658.db2.gz VXWHFXHBDHFSGU-VIFPVBQESA-N 1 3 156.273 1.256 10 0 ADAEHO CCCCC[NH2+]C[C@@H](C)CN 258825757 573632661 /nfs/dbraw/zinc/63/26/61/573632661.db2.gz VKMNNVHEUVAZJX-VIFPVBQESA-N 1 3 158.289 1.361 10 0 ADAEHO C[C@H](CC(C)(C)[NH3+])N(C)C 259538168 573632699 /nfs/dbraw/zinc/63/26/99/573632699.db2.gz NPEOWQXDLUQCLY-SSDOTTSWSA-N 1 3 144.262 1.064 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@H](C)N(C)C 259534497 573632743 /nfs/dbraw/zinc/63/27/43/573632743.db2.gz NMEHJSQSOLDPBF-VHSXEESVSA-N 1 3 172.316 1.428 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H](C)N(C)C 259534489 573632757 /nfs/dbraw/zinc/63/27/57/573632757.db2.gz NMEHJSQSOLDPBF-UWVGGRQHSA-N 1 3 172.316 1.428 10 0 ADAEHO CCC([NH3+])(CC)CN[C@@H]1C[C@H]1C 86814715 573632865 /nfs/dbraw/zinc/63/28/65/573632865.db2.gz JZTKYJKHOQPISS-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H](CCCC[NH3+])NCc1ccno1 308651786 573638001 /nfs/dbraw/zinc/63/80/01/573638001.db2.gz KQJNQZVCCWGCOJ-SECBINFHSA-N 1 3 197.282 1.282 10 0 ADAEHO C[C@H](N)CC[NH2+]CC1(C2CC2)CCC1 393643937 573638369 /nfs/dbraw/zinc/63/83/69/573638369.db2.gz DLUYMEXVEOTNEK-JTQLQIEISA-N 1 3 196.338 1.894 10 0 ADAEHO CC(C)([NH3+])CC[C@H](N)c1ccccn1 259541627 573638690 /nfs/dbraw/zinc/63/86/90/573638690.db2.gz XAHCDDGBIRKVOI-VIFPVBQESA-N 1 3 193.294 1.599 10 0 ADAEHO CC(C)[C@H](C)C[NH2+][C@@H]1CCNC[C@H]1C 308651427 573638790 /nfs/dbraw/zinc/63/87/90/573638790.db2.gz KLBGWBXQGYUGCT-IJLUTSLNSA-N 1 3 198.354 1.866 10 0 ADAEHO CC(C)(C[NH3+])NCCc1cccs1 258853356 573656209 /nfs/dbraw/zinc/65/62/09/573656209.db2.gz NWTRQBWAWLYELZ-UHFFFAOYSA-N 1 3 198.335 1.618 10 0 ADAEHO CCN(CC)CCC1([NH3+])CCC1 86853793 573655538 /nfs/dbraw/zinc/65/55/38/573655538.db2.gz LCGPLWBSXAZWPN-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC1(C)C[C@H]([C@@H]2CCCCN2)C[NH2+]1 258081052 573655552 /nfs/dbraw/zinc/65/55/52/573655552.db2.gz FWQWSPVZJZBGGY-UWVGGRQHSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]1C[C@@H]([C@@H]2CCCCN2)C[NH2+]1 238471022 573655640 /nfs/dbraw/zinc/65/56/40/573655640.db2.gz KZYKOPDCDGWUOL-BBBLOLIVSA-N 1 3 168.284 1.127 10 0 ADAEHO CN[C@H]1[C@@H]([NH+]2CCCC2)CCC1(C)C 86855878 573655671 /nfs/dbraw/zinc/65/56/71/573655671.db2.gz YTYXFLUFFHTGOG-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CSCCNCCC(C)(C)[NH3+] 393587446 573655675 /nfs/dbraw/zinc/65/56/75/573655675.db2.gz UBLQNSMWUKJMEI-UHFFFAOYSA-N 1 3 176.329 1.066 10 0 ADAEHO CC(C)(C)NC[C@]1(F)CCC[NH2+]C1 257841587 573655706 /nfs/dbraw/zinc/65/57/06/573655706.db2.gz MHHLWURVWJRMSD-JTQLQIEISA-N 1 3 188.290 1.466 10 0 ADAEHO CC(C)[NH+]1CCC([C@@H]2NCCO2)CC1 258082127 573655738 /nfs/dbraw/zinc/65/57/38/573655738.db2.gz IKJZEOBWOSBQJN-LLVKDONJSA-N 1 3 198.310 1.053 10 0 ADAEHO [NH3+]C1(CCNC2CC2)CCC1 86853903 573655783 /nfs/dbraw/zinc/65/57/83/573655783.db2.gz GHZFHMYPDMICDV-UHFFFAOYSA-N 1 3 154.257 1.010 10 0 ADAEHO C[C@@H]1CCC[N@H+](CCC2(N)CCC2)C1 86853801 573655827 /nfs/dbraw/zinc/65/58/27/573655827.db2.gz DJECRDUVZJLGTR-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]1CCC[N@@H+](CCC2(N)CCC2)C1 86853801 573655832 /nfs/dbraw/zinc/65/58/32/573655832.db2.gz DJECRDUVZJLGTR-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]1CCCN(CCC2([NH3+])CCC2)C1 86853801 573655839 /nfs/dbraw/zinc/65/58/39/573655839.db2.gz DJECRDUVZJLGTR-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CCN(C1CC1)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86856099 573656038 /nfs/dbraw/zinc/65/60/38/573656038.db2.gz IGYPNWLPLSLDAE-GHMZBOCLSA-N 1 3 196.338 1.987 10 0 ADAEHO CCN(C1CC1)[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86856100 573656157 /nfs/dbraw/zinc/65/61/57/573656157.db2.gz IGYPNWLPLSLDAE-WDEREUQCSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)[NH2+]CCC1(N)CCC1 86853899 573656189 /nfs/dbraw/zinc/65/61/89/573656189.db2.gz RSAOTWMSJZUTOL-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC(C)NCCC1([NH3+])CCC1 86853899 573656194 /nfs/dbraw/zinc/65/61/94/573656194.db2.gz RSAOTWMSJZUTOL-UHFFFAOYSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@@]1([NH3+])Cc2ccccc2[C@H](N)C1 238458619 573656405 /nfs/dbraw/zinc/65/64/05/573656405.db2.gz HYKSGMPNSUENNM-GHMZBOCLSA-N 1 3 176.263 1.350 10 0 ADAEHO C[C@@H]1[C@H](CN)CCCC[N@@H+]1C 238458060 573656448 /nfs/dbraw/zinc/65/64/48/573656448.db2.gz HYZBTNRCKIVEOS-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]1[C@H](CN)CCCC[N@H+]1C 238458060 573656451 /nfs/dbraw/zinc/65/64/51/573656451.db2.gz HYZBTNRCKIVEOS-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CNC[C@]1(C2CCCC2)CCC[N@@H+]1C 258505401 573656453 /nfs/dbraw/zinc/65/64/53/573656453.db2.gz BERWHJCDDUMZML-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@]1(C2CCCC2)CCC[N@H+]1C 258505401 573656457 /nfs/dbraw/zinc/65/64/57/573656457.db2.gz BERWHJCDDUMZML-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CCN(CC)C[C@H]1C[NH2+]CC[C@H]1F 257841612 573656532 /nfs/dbraw/zinc/65/65/32/573656532.db2.gz MICYLKNEGMETKA-NXEZZACHSA-N 1 3 188.290 1.276 10 0 ADAEHO CCN(CCC1([NH3+])CCC1)C1CC1 86853832 573656655 /nfs/dbraw/zinc/65/66/55/573656655.db2.gz IZYWRZAYYQSWMU-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC1(C)C[C@@H]([C@@H]2CCCCN2)C[NH2+]1 258081059 573656734 /nfs/dbraw/zinc/65/67/34/573656734.db2.gz FWQWSPVZJZBGGY-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H]1[C@H]([NH+]2CCCC2)CCC1(C)C 86855881 573656952 /nfs/dbraw/zinc/65/69/52/573656952.db2.gz YTYXFLUFFHTGOG-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO Cn1c(CN)cc2c(C[NH3+])cccc21 258082179 573657005 /nfs/dbraw/zinc/65/70/05/573657005.db2.gz QOPPCPDTLZQIBX-UHFFFAOYSA-N 1 3 189.262 1.096 10 0 ADAEHO CN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])C1CC1 86871263 573663571 /nfs/dbraw/zinc/66/35/71/573663571.db2.gz AXSKWQFSJVUHMM-MWLCHTKSSA-N 1 3 196.338 1.844 10 0 ADAEHO CN(C[C@@H]1CCC(C)(C)[C@@H]1[NH3+])C1CC1 86871265 573663837 /nfs/dbraw/zinc/66/38/37/573663837.db2.gz AXSKWQFSJVUHMM-GXSJLCMTSA-N 1 3 196.338 1.844 10 0 ADAEHO CN(C)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86871187 573663936 /nfs/dbraw/zinc/66/39/36/573663936.db2.gz MVNCKRQLBXDEQQ-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC1(C)CC[C@H](C[NH+]2CCCC2)[C@@H]1N 86871012 573663985 /nfs/dbraw/zinc/66/39/85/573663985.db2.gz VBCQLVVHDCCZTH-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO C[NH2+][C@H]1[C@H](CN(C)C)CCC1(C)C 86871167 573664091 /nfs/dbraw/zinc/66/40/91/573664091.db2.gz PSJKNQWMMKASPO-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H](CC(F)F)N[C@H](C)C1C[NH2+]C1 686248446 573664239 /nfs/dbraw/zinc/66/42/39/573664239.db2.gz OEIFMORRIMQARC-RNFRBKRXSA-N 1 3 192.253 1.228 10 0 ADAEHO C[C@H](CC(F)F)[NH2+][C@H](C)C1CNC1 686248446 573664246 /nfs/dbraw/zinc/66/42/46/573664246.db2.gz OEIFMORRIMQARC-RNFRBKRXSA-N 1 3 192.253 1.228 10 0 ADAEHO CCN(C)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86871229 573668647 /nfs/dbraw/zinc/66/86/47/573668647.db2.gz WAXBHAWSLPLSEC-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1N 86871229 573668650 /nfs/dbraw/zinc/66/86/50/573668650.db2.gz WAXBHAWSLPLSEC-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1N 86871229 573668656 /nfs/dbraw/zinc/66/86/56/573668656.db2.gz WAXBHAWSLPLSEC-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH2+][C@@H](C)C[C@@H]1CCCCN1 83823572 573668690 /nfs/dbraw/zinc/66/86/90/573668690.db2.gz FTCNBVIZGWKZFF-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CN[C@@H](C)C[C@@H]1CCCC[NH2+]1 83823572 573668695 /nfs/dbraw/zinc/66/86/95/573668695.db2.gz FTCNBVIZGWKZFF-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CC(C)(CN)C[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 308661659 573668709 /nfs/dbraw/zinc/66/87/09/573668709.db2.gz QDVSEKVDUJFUAU-JGPRNRPPSA-N 1 3 196.338 1.607 10 0 ADAEHO C[C@@H]([NH3+])CNCCc1cccc(F)c1 258863819 573668774 /nfs/dbraw/zinc/66/87/74/573668774.db2.gz YYIMKXQDALUSKA-SECBINFHSA-N 1 3 196.269 1.305 10 0 ADAEHO CN(CCC[NH2+]C1CC1)CCC1CC1 308660919 573669094 /nfs/dbraw/zinc/66/90/94/573669094.db2.gz PVXBXIXIYDEZPU-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@H+](CCCNC1CC1)CCC1CC1 308660919 573669097 /nfs/dbraw/zinc/66/90/97/573669097.db2.gz PVXBXIXIYDEZPU-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[N@@H+](CCCNC1CC1)CCC1CC1 308660919 573669101 /nfs/dbraw/zinc/66/91/01/573669101.db2.gz PVXBXIXIYDEZPU-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC1CCC1 83839350 573679586 /nfs/dbraw/zinc/67/95/86/573679586.db2.gz PNGQIFBLPCALOV-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CC1CCC1 83839350 573679590 /nfs/dbraw/zinc/67/95/90/573679590.db2.gz PNGQIFBLPCALOV-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([NH2+][C@@H](C)C1(C)CC1)C1CNC1 686248894 573679610 /nfs/dbraw/zinc/67/96/10/573679610.db2.gz SLOPAZHISAFZAX-IUCAKERBSA-N 1 3 182.311 1.373 10 0 ADAEHO C[C@H](N)CC[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308412928 573679616 /nfs/dbraw/zinc/67/96/16/573679616.db2.gz PEBDDIGCECMMDG-UKKRHICBSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@H]([NH3+])CCN[C@@H]1[C@H]2CCCC[C@H]21 308412928 573679620 /nfs/dbraw/zinc/67/96/20/573679620.db2.gz PEBDDIGCECMMDG-UKKRHICBSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@@H]([NH3+])[C@@H]1CN2CCC1CC2 107977810 573679964 /nfs/dbraw/zinc/67/99/64/573679964.db2.gz OLAMKAPBHFDOLN-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO NC[C@@H](C[NH2+]CC1CC1)CC1CC1 404828579 573682035 /nfs/dbraw/zinc/68/20/35/573682035.db2.gz GZPJPTUCXNQGHN-NSHDSACASA-N 1 3 182.311 1.361 10 0 ADAEHO C[C@@H]1CCC[C@@H]([C@@H](N)C[NH3+])C1 227548491 573682315 /nfs/dbraw/zinc/68/23/15/573682315.db2.gz DTKFUWWXOHNRFT-HLTSFMKQSA-N 1 3 156.273 1.099 10 0 ADAEHO CN[C@@H](CC(C)C)C[C@H]1CCC[NH2+]1 259159227 573686134 /nfs/dbraw/zinc/68/61/34/573686134.db2.gz CUSQMHDCVNDCKL-MNOVXSKESA-N 1 3 184.327 1.763 10 0 ADAEHO C[NH2+]CC1([C@@H](N)C2CCCCC2)CC1 259159847 573686423 /nfs/dbraw/zinc/68/64/23/573686423.db2.gz BWXVTJAXOSHTRM-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO CNCC1([C@@H]([NH3+])C2CCCCC2)CC1 259159847 573686431 /nfs/dbraw/zinc/68/64/31/573686431.db2.gz BWXVTJAXOSHTRM-NSHDSACASA-N 1 3 196.338 1.894 10 0 ADAEHO C[N@H+](CCC1CC1)[C@@H]1CCC[C@@H](N)C1 308669775 573686543 /nfs/dbraw/zinc/68/65/43/573686543.db2.gz UUDYOANHLHNSSA-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@@H]1CCC[C@@H](N)C1 308669775 573686551 /nfs/dbraw/zinc/68/65/51/573686551.db2.gz UUDYOANHLHNSSA-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1N 83895130 573697061 /nfs/dbraw/zinc/69/70/61/573697061.db2.gz JOAJJDUNHBLQCF-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1N 83895130 573697071 /nfs/dbraw/zinc/69/70/71/573697071.db2.gz JOAJJDUNHBLQCF-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CN(CCC2CC2)CC[C@@H]1[NH3+] 83895130 573697077 /nfs/dbraw/zinc/69/70/77/573697077.db2.gz JOAJJDUNHBLQCF-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO [NH3+]C1CCN(CCC2CC2)CC1 83895141 573697179 /nfs/dbraw/zinc/69/71/79/573697179.db2.gz UVKCZBNGRSODLR-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO NC1CC[NH+](CCC2CC2)CC1 83895141 573697182 /nfs/dbraw/zinc/69/71/82/573697182.db2.gz UVKCZBNGRSODLR-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CC1(C)[C@H](CN)CCC[N@@H+]1C1CC1 259167594 573697313 /nfs/dbraw/zinc/69/73/13/573697313.db2.gz AMCSUCVVLDSWEC-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@H](CN)CCC[N@H+]1C1CC1 259167594 573697321 /nfs/dbraw/zinc/69/73/21/573697321.db2.gz AMCSUCVVLDSWEC-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@H](C[NH3+])CCCN1C1CC1 259167594 573697326 /nfs/dbraw/zinc/69/73/26/573697326.db2.gz AMCSUCVVLDSWEC-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H](N)CC(C)C 259168964 573697368 /nfs/dbraw/zinc/69/73/68/573697368.db2.gz CFINQWQYYUIMQV-QWRGUYRKSA-N 1 3 186.343 1.851 10 0 ADAEHO CCNC[C@H](C)C[NH2+]CCC1CC1 83895471 573697570 /nfs/dbraw/zinc/69/75/70/573697570.db2.gz HTXDYCQEUXFVOO-JTQLQIEISA-N 1 3 184.327 1.622 10 0 ADAEHO C1C[C@@H]2CN3CCCC[C@@H]3C[NH2+][C@@H]2C1 237995067 573697967 /nfs/dbraw/zinc/69/79/67/573697967.db2.gz SLLSMPFMZAJMNS-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C1C[C@@H]2C[N@@H+]3CCCC[C@@H]3CN[C@@H]2C1 237995067 573697972 /nfs/dbraw/zinc/69/79/72/573697972.db2.gz SLLSMPFMZAJMNS-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO C1C[C@@H]2C[N@H+]3CCCC[C@@H]3CN[C@@H]2C1 237995067 573697976 /nfs/dbraw/zinc/69/79/76/573697976.db2.gz SLLSMPFMZAJMNS-IJLUTSLNSA-N 1 3 194.322 1.613 10 0 ADAEHO CC1(C)[C@@H](CN)CCC[N@@H+]1C1CC1 259167588 573698013 /nfs/dbraw/zinc/69/80/13/573698013.db2.gz AMCSUCVVLDSWEC-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@@H](CN)CCC[N@H+]1C1CC1 259167588 573698021 /nfs/dbraw/zinc/69/80/21/573698021.db2.gz AMCSUCVVLDSWEC-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)[C@@H](C[NH3+])CCCN1C1CC1 259167588 573698026 /nfs/dbraw/zinc/69/80/26/573698026.db2.gz AMCSUCVVLDSWEC-SECBINFHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(C)N[C@]1(C[NH3+])CCSC1 257849011 573698237 /nfs/dbraw/zinc/69/82/37/573698237.db2.gz OJWXZDQFWUVAQD-VIFPVBQESA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H]1CNCCC[N@H+](CCC2CC2)C1 83912301 573698309 /nfs/dbraw/zinc/69/83/09/573698309.db2.gz MSSSREVGVWFITF-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](CCC2CC2)C1 83912301 573698313 /nfs/dbraw/zinc/69/83/13/573698313.db2.gz MSSSREVGVWFITF-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO CC(C)N1CC[NH2+]CC2(CCC2)C1 258415274 573698454 /nfs/dbraw/zinc/69/84/54/573698454.db2.gz DMOHJRRHERDPSS-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCC1CC1 83895159 573698513 /nfs/dbraw/zinc/69/85/13/573698513.db2.gz UANVJTAMOBNVNN-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1CCC1CC1 83895159 573698518 /nfs/dbraw/zinc/69/85/18/573698518.db2.gz UANVJTAMOBNVNN-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1CCC1CC1 83895159 573698522 /nfs/dbraw/zinc/69/85/22/573698522.db2.gz UANVJTAMOBNVNN-MWLCHTKSSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)(C)N[C@@]1(C[NH3+])CCSC1 257849010 573698564 /nfs/dbraw/zinc/69/85/64/573698564.db2.gz OJWXZDQFWUVAQD-SECBINFHSA-N 1 3 188.340 1.209 10 0 ADAEHO C1C[C@H]2C[NH+](CCNC3CC3)C[C@@H]2C1 126852918 573698665 /nfs/dbraw/zinc/69/86/65/573698665.db2.gz ZUAXULCKGUHGGB-QWRGUYRKSA-N 1 3 194.322 1.470 10 0 ADAEHO C1C[C@@H]2C[NH+](CCNC3CC3)C[C@H]2C1 126853136 573698807 /nfs/dbraw/zinc/69/88/07/573698807.db2.gz ZUAXULCKGUHGGB-GHMZBOCLSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H]1CC[N@H+](CCC2CC2)CCCN1 83912278 573698924 /nfs/dbraw/zinc/69/89/24/573698924.db2.gz ULBQJSDUQPWHFH-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCC2CC2)CCCN1 83912278 573698927 /nfs/dbraw/zinc/69/89/27/573698927.db2.gz ULBQJSDUQPWHFH-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC1CC1 83895161 573699052 /nfs/dbraw/zinc/69/90/52/573699052.db2.gz UANVJTAMOBNVNN-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCC1CC1 83895161 573699057 /nfs/dbraw/zinc/69/90/57/573699057.db2.gz UANVJTAMOBNVNN-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC1CC1 83895161 573699064 /nfs/dbraw/zinc/69/90/64/573699064.db2.gz UANVJTAMOBNVNN-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+][C@H]([C@H](CN)C(C)C)C(C)(C)C 259167469 573699072 /nfs/dbraw/zinc/69/90/72/573699072.db2.gz JBRBYBSBPBAJKR-NXEZZACHSA-N 1 3 186.343 1.851 10 0 ADAEHO c1cc(CNCC[C@H]2CC[NH2+]C2)co1 130765558 573706825 /nfs/dbraw/zinc/70/68/25/573706825.db2.gz CCDTUDGXKRZPGJ-SNVBAGLBSA-N 1 3 194.278 1.369 10 0 ADAEHO [NH3+]CCCCCCNCc1ccoc1 130762499 573706883 /nfs/dbraw/zinc/70/68/83/573706883.db2.gz FXNSPLZWEXIOHR-UHFFFAOYSA-N 1 3 196.294 1.888 10 0 ADAEHO COc1ccc([C@H](N)[C@@H](C)C[NH3+])cc1 259171193 573706975 /nfs/dbraw/zinc/70/69/75/573706975.db2.gz DWDFSEVCOFTLOQ-GZMMTYOYSA-N 1 3 194.278 1.290 10 0 ADAEHO COc1ccc([C@@H](N)[C@@H](C)C[NH3+])cc1 259171199 573706994 /nfs/dbraw/zinc/70/69/94/573706994.db2.gz DWDFSEVCOFTLOQ-KWQFWETISA-N 1 3 194.278 1.290 10 0 ADAEHO CC(C)N[C@@]1(C[NH3+])CS[C@H](C)C1 86936786 573706996 /nfs/dbraw/zinc/70/69/96/573706996.db2.gz FRRPZQOZTWOTFM-BDAKNGLRSA-N 1 3 188.340 1.207 10 0 ADAEHO CCN1CCC[C@@H]1[C@H]1C[NH2+][C@H](C)C1 258100401 573707083 /nfs/dbraw/zinc/70/70/83/573707083.db2.gz HCNRFHJJJYKCSV-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@@H](C[NH3+])c1cccs1 258100667 573707151 /nfs/dbraw/zinc/70/71/51/573707151.db2.gz KHSKVMYNBOHMJZ-SSDOTTSWSA-N 1 3 170.281 1.010 10 0 ADAEHO C1CC[C@@H]2CCC[NH2+]C[C@@H]2NC1 238017385 573707176 /nfs/dbraw/zinc/70/71/76/573707176.db2.gz NEZPCLBPYQNZLU-ZJUUUORDSA-N 1 3 168.284 1.128 10 0 ADAEHO CC(C)(C)[C@@H](CN)C[NH2+]C1CC1 258096374 573711595 /nfs/dbraw/zinc/71/15/95/573711595.db2.gz KACNIHFLLQUTLQ-QMMMGPOBSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)[C@@H](C[NH3+])CNC1CC1 258096374 573711597 /nfs/dbraw/zinc/71/15/97/573711597.db2.gz KACNIHFLLQUTLQ-QMMMGPOBSA-N 1 3 170.300 1.359 10 0 ADAEHO [NH3+]CCc1nc([C@H]2CCCN2)cs1 258101698 573714178 /nfs/dbraw/zinc/71/41/78/573714178.db2.gz NYJODRFURDBSGW-SSDOTTSWSA-N 1 3 197.307 1.069 10 0 ADAEHO CC(C)N(C)[C@H](C)CC(N)=[NH2+] 108279760 573714325 /nfs/dbraw/zinc/71/43/25/573714325.db2.gz YYVLZQOOCITSQX-SSDOTTSWSA-N 1 3 157.261 1.041 10 0 ADAEHO CC(C)[C@@]1([C@@H]2CCCN2)CCC[NH2+]1 258097475 573715210 /nfs/dbraw/zinc/71/52/10/573715210.db2.gz GUYQBEXFMKISGV-WDEREUQCSA-N 1 3 182.311 1.517 10 0 ADAEHO CCN(CC)C[C@@]1(F)CC[C@H]([NH3+])C1 257852566 573731838 /nfs/dbraw/zinc/73/18/38/573731838.db2.gz PGHWDYHEEFDIEE-VHSXEESVSA-N 1 3 188.290 1.548 10 0 ADAEHO CC(C)C[C@@H](C1C[NH2+]C1)N(C)C 259563881 573731979 /nfs/dbraw/zinc/73/19/79/573731979.db2.gz OVUXDCORAAVGHH-JTQLQIEISA-N 1 3 170.300 1.182 10 0 ADAEHO CC(C)C[C@@H](C1CNC1)[NH+](C)C 259563881 573731984 /nfs/dbraw/zinc/73/19/84/573731984.db2.gz OVUXDCORAAVGHH-JTQLQIEISA-N 1 3 170.300 1.182 10 0 ADAEHO CC(C)C[C@H](C1C[NH2+]C1)N(C)C 259563882 573732387 /nfs/dbraw/zinc/73/23/87/573732387.db2.gz OVUXDCORAAVGHH-SNVBAGLBSA-N 1 3 170.300 1.182 10 0 ADAEHO CC(C)C[C@H](C1CNC1)[NH+](C)C 259563882 573732392 /nfs/dbraw/zinc/73/23/92/573732392.db2.gz OVUXDCORAAVGHH-SNVBAGLBSA-N 1 3 170.300 1.182 10 0 ADAEHO C[NH2+]C[C@@H](C)NCCC1CCCC1 162109800 573739062 /nfs/dbraw/zinc/73/90/62/573739062.db2.gz CTZSBJQIBQOMHX-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(C)[C@H](C[NH3+])CNCc1cc[nH]c1 258898684 573739150 /nfs/dbraw/zinc/73/91/50/573739150.db2.gz DPQZAMIUIKJDQP-LLVKDONJSA-N 1 3 195.310 1.335 10 0 ADAEHO C[C@@H]([NH3+])C[C@H](N)c1ccc(F)cc1 259564290 573739205 /nfs/dbraw/zinc/73/92/05/573739205.db2.gz YETVKJOMSBMFQD-XCBNKYQSSA-N 1 3 182.242 1.563 10 0 ADAEHO C[NH2+]CC1(CN(C)C2CCC2)CCC1 258898722 573739259 /nfs/dbraw/zinc/73/92/59/573739259.db2.gz DQPMGBKZCHFYON-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC1(C[N@H+](C)C2CCC2)CCC1 258898722 573739263 /nfs/dbraw/zinc/73/92/63/573739263.db2.gz DQPMGBKZCHFYON-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC1(C[N@@H+](C)C2CCC2)CCC1 258898722 573739268 /nfs/dbraw/zinc/73/92/68/573739268.db2.gz DQPMGBKZCHFYON-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H]1N[C@H](C)C1C[NH2+]C1 686250377 573739610 /nfs/dbraw/zinc/73/96/10/573739610.db2.gz WJIYXRMCXZKUNG-FOGDFJRCSA-N 1 3 196.338 1.619 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CNC1 686250377 573739615 /nfs/dbraw/zinc/73/96/15/573739615.db2.gz WJIYXRMCXZKUNG-FOGDFJRCSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@@H]([NH2+]CCCCF)C1CNC1 716153141 573744420 /nfs/dbraw/zinc/74/44/20/573744420.db2.gz CTIXMYMLNFCVFN-SNVBAGLBSA-N 1 3 188.290 1.324 10 0 ADAEHO CNC[C@](C)(F)[C@H]1CCC[N@H+](C)C1 257860952 573744466 /nfs/dbraw/zinc/74/44/66/573744466.db2.gz QZFPOTKKKVKSCR-UWVGGRQHSA-N 1 3 188.290 1.276 10 0 ADAEHO CNC[C@](C)(F)[C@H]1CCC[N@@H+](C)C1 257860952 573744470 /nfs/dbraw/zinc/74/44/70/573744470.db2.gz QZFPOTKKKVKSCR-UWVGGRQHSA-N 1 3 188.290 1.276 10 0 ADAEHO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CNC1 716154727 573744634 /nfs/dbraw/zinc/74/46/34/573744634.db2.gz HLOWSGWFMHPJIZ-USWWRNFRSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H](CC[NH3+])CN(C)c1ccncc1 258902271 573744878 /nfs/dbraw/zinc/74/48/78/573744878.db2.gz MKAQOCZHHMVZMV-SNVBAGLBSA-N 1 3 193.294 1.503 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1C[C@H](C)CC[C@@H]1C 84045072 573744938 /nfs/dbraw/zinc/74/49/38/573744938.db2.gz JGMWPQGWEFDLMI-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CCN)[N@H+]1C[C@H](C)CC[C@@H]1C 84045072 573744942 /nfs/dbraw/zinc/74/49/42/573744942.db2.gz JGMWPQGWEFDLMI-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)(C)C[C@@H]1[NH2+]CCC[C@@H]1CN 238076412 573746080 /nfs/dbraw/zinc/74/60/80/573746080.db2.gz GXXNOKMITFSOEP-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@H]([NH2+]CC1(C)CCC1)C1CNC1 716154730 573746550 /nfs/dbraw/zinc/74/65/50/573746550.db2.gz HMAQDFYRNKLZRP-NSHDSACASA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]1CC[N@H+](C[C@@H]2CCCCN2)C1 108307294 573747767 /nfs/dbraw/zinc/74/77/67/573747767.db2.gz GCDCIMQIJDHNJI-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@@H+](C[C@@H]2CCCCN2)C1 108307294 573747775 /nfs/dbraw/zinc/74/77/75/573747775.db2.gz GCDCIMQIJDHNJI-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]([NH3+])Cc1cccc(CN(C)C)c1 258115944 573748006 /nfs/dbraw/zinc/74/80/06/573748006.db2.gz QARJILBEZBUHMT-SNVBAGLBSA-N 1 3 192.306 1.638 10 0 ADAEHO CC(C)C1CN([C@@H]2CCC[C@@H]([NH3+])C2)C1 108306821 573748162 /nfs/dbraw/zinc/74/81/62/573748162.db2.gz HXPWRWCWRPRJGA-VXGBXAGGSA-N 1 3 196.338 1.844 10 0 ADAEHO CCC1(C[NH2+][C@H]2CCNC[C@@H]2C)CC1 308701958 573748167 /nfs/dbraw/zinc/74/81/67/573748167.db2.gz VHDQJGFIHGWOHC-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO C[NH2+]CCCCN(C)Cc1ccc[nH]1 258907909 573750948 /nfs/dbraw/zinc/75/09/48/573750948.db2.gz NCANABVOCUJFFB-UHFFFAOYSA-N 1 3 195.310 1.446 10 0 ADAEHO CNC1(C[NH2+][C@@H]2CC2(C)C)CCCC1 308704809 573751146 /nfs/dbraw/zinc/75/11/46/573751146.db2.gz WIBRICBTOKEBIK-SNVBAGLBSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](N)C2)C1 108306793 573751497 /nfs/dbraw/zinc/75/14/97/573751497.db2.gz XBOPPEGAFNXINB-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](N)C2)C1 108306793 573751504 /nfs/dbraw/zinc/75/15/04/573751504.db2.gz XBOPPEGAFNXINB-GRYCIOLGSA-N 1 3 196.338 1.988 10 0 ADAEHO CCCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686250320 573751526 /nfs/dbraw/zinc/75/15/26/573751526.db2.gz YFQWDIPBUZFZDK-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO Cc1cc2c(CC[NH3+])[nH]ccc-2n1 238499590 573754826 /nfs/dbraw/zinc/75/48/26/573754826.db2.gz OEVDHSRWJBPTHU-UHFFFAOYSA-N 1 3 175.235 1.373 10 0 ADAEHO CC(C)C[N@H+](CCCN)CC1CC1 43417433 573755907 /nfs/dbraw/zinc/75/59/07/573755907.db2.gz JNAHVASKEARPOX-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO CC(C)C[N@@H+](CCCN)CC1CC1 43417433 573755913 /nfs/dbraw/zinc/75/59/13/573755913.db2.gz JNAHVASKEARPOX-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)C(C)(C)C 258910409 573755163 /nfs/dbraw/zinc/75/51/63/573755163.db2.gz FTCXUGPGEWFGRR-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)C(C)(C)C 258910409 573755166 /nfs/dbraw/zinc/75/51/66/573755166.db2.gz FTCXUGPGEWFGRR-VIFPVBQESA-N 1 3 172.316 1.702 10 0 ADAEHO C=C/C=C/CC[NH2+][C@@H](CC)C1CNC1 716159256 573756644 /nfs/dbraw/zinc/75/66/44/573756644.db2.gz WLKYMUFYZHBZBV-FYJFLYSWSA-N 1 3 194.322 1.706 10 0 ADAEHO C[NH2+]CCC(F)(F)[C@@H]1CCN(C)C1 257866472 573757513 /nfs/dbraw/zinc/75/75/13/573757513.db2.gz SBDUZLXTXMXGJI-MRVPVSSYSA-N 1 3 192.253 1.183 10 0 ADAEHO C[NH2+][C@H](C)Cn1ccc2cnccc21 257870410 573767970 /nfs/dbraw/zinc/76/79/70/573767970.db2.gz APKZGOJYTNDMSO-SECBINFHSA-N 1 3 189.262 1.644 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@H]2NCCCO2)C1 257870338 573768104 /nfs/dbraw/zinc/76/81/04/573768104.db2.gz ALKQNYGQBCLMNL-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@H]2NCCCO2)C1 257870338 573768111 /nfs/dbraw/zinc/76/81/11/573768111.db2.gz ALKQNYGQBCLMNL-MNOVXSKESA-N 1 3 198.310 1.054 10 0 ADAEHO C[NH2+][C@@H](C)Cn1ccc2cnccc21 257870411 573769534 /nfs/dbraw/zinc/76/95/34/573769534.db2.gz APKZGOJYTNDMSO-VIFPVBQESA-N 1 3 189.262 1.644 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C[C@H]2NCCCO2)C1 257870340 573769634 /nfs/dbraw/zinc/76/96/34/573769634.db2.gz ALKQNYGQBCLMNL-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@@H](C[C@H]2NCCCO2)C1 257870340 573769640 /nfs/dbraw/zinc/76/96/40/573769640.db2.gz ALKQNYGQBCLMNL-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 258934755 573773905 /nfs/dbraw/zinc/77/39/05/573773905.db2.gz JPWUZTVOFGFJRE-MNOVXSKESA-N 1 3 193.294 1.374 10 0 ADAEHO COCCN(C(C)C)[C@H](C)CC[NH3+] 131170099 573775729 /nfs/dbraw/zinc/77/57/29/573775729.db2.gz JDYAAEALYVSZEI-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO COCC[N@H+](C(C)C)[C@H](C)CCN 131170099 573775733 /nfs/dbraw/zinc/77/57/33/573775733.db2.gz JDYAAEALYVSZEI-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO COCC[N@@H+](C(C)C)[C@H](C)CCN 131170099 573775735 /nfs/dbraw/zinc/77/57/35/573775735.db2.gz JDYAAEALYVSZEI-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO COCCN(C(C)C)[C@@H](C)CC[NH3+] 131169896 573775143 /nfs/dbraw/zinc/77/51/43/573775143.db2.gz JDYAAEALYVSZEI-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO COCC[N@H+](C(C)C)[C@@H](C)CCN 131169896 573775148 /nfs/dbraw/zinc/77/51/48/573775148.db2.gz JDYAAEALYVSZEI-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO COCC[N@@H+](C(C)C)[C@@H](C)CCN 131169896 573775151 /nfs/dbraw/zinc/77/51/51/573775151.db2.gz JDYAAEALYVSZEI-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO Cc1cccc([C@@H]2CNC[C@@H]([NH3+])C2)c1 238510359 573775165 /nfs/dbraw/zinc/77/51/65/573775165.db2.gz XMRUUDJXZJQENJ-RYUDHWBXSA-N 1 3 190.290 1.399 10 0 ADAEHO CC(C)[C@@H](C[NH3+])N(C)c1ccncc1 258936175 573775585 /nfs/dbraw/zinc/77/55/85/573775585.db2.gz VXBIBKHIJTUEQP-LLVKDONJSA-N 1 3 193.294 1.501 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@H]1CCC(F)(F)C1 308431438 573784509 /nfs/dbraw/zinc/78/45/09/573784509.db2.gz ZUTJVTOYHLEYBP-SFYZADRCSA-N 1 3 192.253 1.501 10 0 ADAEHO C[C@H]([NH3+])CCN[C@@H]1CCC(F)(F)C1 308431432 573784174 /nfs/dbraw/zinc/78/41/74/573784174.db2.gz ZUTJVTOYHLEYBP-JGVFFNPUSA-N 1 3 192.253 1.501 10 0 ADAEHO CC[C@H](CN)[C@H]([NH3+])CC(C)C 259186744 573784435 /nfs/dbraw/zinc/78/44/35/573784435.db2.gz CYLAYAXQKQQUJU-RKDXNWHRSA-N 1 3 158.289 1.345 10 0 ADAEHO CCCCN1CCC(C)(C)[C@@H]([NH3+])C1 258947007 573784449 /nfs/dbraw/zinc/78/44/49/573784449.db2.gz YPIOVRYFKJDWFU-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1[C@H](CN)CCC[N@@H+]1C(C)C 107231273 573787499 /nfs/dbraw/zinc/78/74/99/573787499.db2.gz AUJPXYSSRHOLHS-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H]1[C@H](CN)CCC[N@H+]1C(C)C 107231273 573787507 /nfs/dbraw/zinc/78/75/07/573787507.db2.gz AUJPXYSSRHOLHS-QWRGUYRKSA-N 1 3 184.327 1.844 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1C 259185638 573787615 /nfs/dbraw/zinc/78/76/15/573787615.db2.gz HTANQSQEJYNEGW-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C 259185638 573787619 /nfs/dbraw/zinc/78/76/19/573787619.db2.gz HTANQSQEJYNEGW-UWVGGRQHSA-N 1 3 184.327 1.715 10 0 ADAEHO [NH3+]C[C@@H]1C2CCN(CC2)[C@H]1C1CCC1 258130119 573787800 /nfs/dbraw/zinc/78/78/00/573787800.db2.gz QEXOLFJLCRLDTP-NEPJUHHUSA-N 1 3 194.322 1.456 10 0 ADAEHO CC(C)[C@@H](C[NH3+])[C@@H](N)c1ccccc1 259189128 573794561 /nfs/dbraw/zinc/79/45/61/573794561.db2.gz DAWLDYMRZJVFFQ-NEPJUHHUSA-N 1 3 192.306 1.917 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](N)c1cccc(C)c1 259190918 573794620 /nfs/dbraw/zinc/79/46/20/573794620.db2.gz DBLKSSIQOMUJSB-JQWIXIFHSA-N 1 3 192.306 1.980 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+](C)C1CCC1 127293071 573795256 /nfs/dbraw/zinc/79/52/56/573795256.db2.gz ROSNURLRTBZAKE-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+](C)C1CCC1 127293071 573795261 /nfs/dbraw/zinc/79/52/61/573795261.db2.gz ROSNURLRTBZAKE-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](C)N(C)C1CCC1 127293071 573795268 /nfs/dbraw/zinc/79/52/68/573795268.db2.gz ROSNURLRTBZAKE-DTWKUNHWSA-N 1 3 170.300 1.597 10 0 ADAEHO CC[NH2+][C@H](C)CCN(C)C1CCC1 127296013 573795294 /nfs/dbraw/zinc/79/52/94/573795294.db2.gz HAUMSEQEMVJFCT-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](N)c1cccc(C)c1 259190920 573795374 /nfs/dbraw/zinc/79/53/74/573795374.db2.gz DBLKSSIQOMUJSB-PWSUYJOCSA-N 1 3 192.306 1.980 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](NC)c1ccc[nH]1 259191608 573795519 /nfs/dbraw/zinc/79/55/19/573795519.db2.gz KIIMGASEGJHZMU-WCBMZHEXSA-N 1 3 181.283 1.260 10 0 ADAEHO CC1(C)C[C@H]([NH2+]CC2CCC2)CCN1 258949140 573795716 /nfs/dbraw/zinc/79/57/16/573795716.db2.gz ZGILZTRSGUZSOF-LLVKDONJSA-N 1 3 196.338 1.907 10 0 ADAEHO C1CCCC[NH2+]CCCNCCC1 238103763 573796037 /nfs/dbraw/zinc/79/60/37/573796037.db2.gz HCOXTYAHYGYORG-UHFFFAOYSA-N 1 3 184.327 1.910 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](N)c1cccc(C)c1 259190924 573796076 /nfs/dbraw/zinc/79/60/76/573796076.db2.gz DBLKSSIQOMUJSB-ZYHUDNBSSA-N 1 3 192.306 1.980 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCCC(C)C 258958442 573803973 /nfs/dbraw/zinc/80/39/73/573803973.db2.gz KCQOYSSOHTUGAO-NSHDSACASA-N 1 3 186.343 1.997 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1CNc1ccncc1 84235477 573804061 /nfs/dbraw/zinc/80/40/61/573804061.db2.gz SHIGXNACHXYCMG-GXSJLCMTSA-N 1 3 191.278 1.621 10 0 ADAEHO CN(CC(C)(C)[NH3+])c1ccncc1 258956934 573804067 /nfs/dbraw/zinc/80/40/67/573804067.db2.gz XIEFNGNRRXBIFG-UHFFFAOYSA-N 1 3 179.267 1.255 10 0 ADAEHO NC[C@@H](C[NH2+]C1CCCC1)C1CC1 258135014 573804219 /nfs/dbraw/zinc/80/42/19/573804219.db2.gz GNZPFTYDYHELJD-JTQLQIEISA-N 1 3 182.311 1.504 10 0 ADAEHO CC[C@H](N)[C@H](C[NH2+]C)C(C)C 259193260 573804297 /nfs/dbraw/zinc/80/42/97/573804297.db2.gz DCPCFISLSBGYIC-BDAKNGLRSA-N 1 3 158.289 1.215 10 0 ADAEHO N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]1 258958822 573804308 /nfs/dbraw/zinc/80/43/08/573804308.db2.gz KUZUIFLJULJXNX-MNOVXSKESA-N 1 3 193.294 1.374 10 0 ADAEHO C[C@H]([NH3+])c1csc(CN)c1 258428068 573804369 /nfs/dbraw/zinc/80/43/69/573804369.db2.gz CPPRUQVKRGSGDM-YFKPBYRVSA-N 1 3 156.254 1.227 10 0 ADAEHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]1 258958820 573804555 /nfs/dbraw/zinc/80/45/55/573804555.db2.gz KUZUIFLJULJXNX-GHMZBOCLSA-N 1 3 193.294 1.374 10 0 ADAEHO N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]1 258958823 573804569 /nfs/dbraw/zinc/80/45/69/573804569.db2.gz KUZUIFLJULJXNX-QWRGUYRKSA-N 1 3 193.294 1.374 10 0 ADAEHO C[C@@H](N)c1cnc([C@H]2CCC[NH2+]2)s1 258135426 573804618 /nfs/dbraw/zinc/80/46/18/573804618.db2.gz PLWVAPVLWBZVIW-RNFRBKRXSA-N 1 3 197.307 1.587 10 0 ADAEHO CC[C@@]1([C@H]2CCCN2)CCC[NH2+]1 258134715 573804661 /nfs/dbraw/zinc/80/46/61/573804661.db2.gz JGIAKQOQZYNIPW-ZJUUUORDSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@@]1([C@H]2CCC[NH2+]2)CCCN1 258134715 573804668 /nfs/dbraw/zinc/80/46/68/573804668.db2.gz JGIAKQOQZYNIPW-ZJUUUORDSA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@@H](N)c1cnc([C@@H]2CCC[NH2+]2)s1 258135429 573804757 /nfs/dbraw/zinc/80/47/57/573804757.db2.gz PLWVAPVLWBZVIW-RQJHMYQMSA-N 1 3 197.307 1.587 10 0 ADAEHO Cn1ccc([C@@H]2NCCC[C@@H]2C[NH3+])c1 238516444 573804813 /nfs/dbraw/zinc/80/48/13/573804813.db2.gz ZFZWCASBGUKELF-MWLCHTKSSA-N 1 3 193.294 1.025 10 0 ADAEHO CC[C@@H](N)[C@@H](C[NH2+]C)C(C)C 259193264 573804914 /nfs/dbraw/zinc/80/49/14/573804914.db2.gz DCPCFISLSBGYIC-DTWKUNHWSA-N 1 3 158.289 1.215 10 0 ADAEHO Cn1ccc([C@@H]2NCCC[C@H]2C[NH3+])c1 238516488 573804958 /nfs/dbraw/zinc/80/49/58/573804958.db2.gz ZFZWCASBGUKELF-GXSJLCMTSA-N 1 3 193.294 1.025 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1CNc1ccncc1 84235475 573804989 /nfs/dbraw/zinc/80/49/89/573804989.db2.gz SHIGXNACHXYCMG-KOLCDFICSA-N 1 3 191.278 1.621 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1CNc1ccncc1 84235473 573805024 /nfs/dbraw/zinc/80/50/24/573805024.db2.gz SHIGXNACHXYCMG-ONGXEEELSA-N 1 3 191.278 1.621 10 0 ADAEHO CC[C@@H](CN)[C@@H]([NH2+]C)C(C)C 259194246 573805046 /nfs/dbraw/zinc/80/50/46/573805046.db2.gz KQDKNGIJMDDOCS-IUCAKERBSA-N 1 3 158.289 1.215 10 0 ADAEHO CC(C)(C)C[NH2+]C(C)(C)CCN 258956968 573805073 /nfs/dbraw/zinc/80/50/73/573805073.db2.gz XJNMCEVEHOHCSS-UHFFFAOYSA-N 1 3 172.316 1.750 10 0 ADAEHO N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]1 258958824 573805136 /nfs/dbraw/zinc/80/51/36/573805136.db2.gz KUZUIFLJULJXNX-WDEREUQCSA-N 1 3 193.294 1.374 10 0 ADAEHO C[C@@H]([NH3+])c1csc(CN)c1 258428067 573805164 /nfs/dbraw/zinc/80/51/64/573805164.db2.gz CPPRUQVKRGSGDM-RXMQYKEDSA-N 1 3 156.254 1.227 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCCC(C)C 258958439 573805175 /nfs/dbraw/zinc/80/51/75/573805175.db2.gz KCQOYSSOHTUGAO-LLVKDONJSA-N 1 3 186.343 1.997 10 0 ADAEHO CCN(C1CC1)[C@H](C)C1C[NH2+]C1 686255390 573806871 /nfs/dbraw/zinc/80/68/71/573806871.db2.gz GYIDSXLNJIVCEY-MRVPVSSYSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H](C)C1CNC1 686255390 573806874 /nfs/dbraw/zinc/80/68/74/573806874.db2.gz GYIDSXLNJIVCEY-MRVPVSSYSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[N@H+](C1CC1)[C@H](C)C1CNC1 686255390 573806879 /nfs/dbraw/zinc/80/68/79/573806879.db2.gz GYIDSXLNJIVCEY-MRVPVSSYSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@@H](N)C[N@H+](CCOC)C(C)C 131268412 573807028 /nfs/dbraw/zinc/80/70/28/573807028.db2.gz VACBBXBUMBKHEP-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](N)C[N@@H+](CCOC)C(C)C 131268412 573807035 /nfs/dbraw/zinc/80/70/35/573807035.db2.gz VACBBXBUMBKHEP-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc[nH]1 259196442 573807067 /nfs/dbraw/zinc/80/70/67/573807067.db2.gz WRFUFOUJRDODES-QWRGUYRKSA-N 1 3 193.294 1.027 10 0 ADAEHO COCCN(CC[C@@H](C)[NH3+])C(C)C 131264793 573807515 /nfs/dbraw/zinc/80/75/15/573807515.db2.gz NJGFYIICICIIFC-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO Cc1nc(C[C@@H]2CCC[NH2+]C2)c(C)[nH]1 257879331 573807538 /nfs/dbraw/zinc/80/75/38/573807538.db2.gz VDHXNEBPCCTSKU-JTQLQIEISA-N 1 3 193.294 1.569 10 0 ADAEHO CC[C@H]1CCC[N@@H+]([C@@H](C)CCN)C1 41042628 573807927 /nfs/dbraw/zinc/80/79/27/573807927.db2.gz XNSYWHBXQRZDAW-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCC[N@H+]([C@@H](C)CCN)C1 41042628 573807932 /nfs/dbraw/zinc/80/79/32/573807932.db2.gz XNSYWHBXQRZDAW-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]([C@@H](C)CCN)C1 41042627 573808129 /nfs/dbraw/zinc/80/81/29/573808129.db2.gz XNSYWHBXQRZDAW-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1CCC[N@H+]([C@@H](C)CCN)C1 41042627 573808134 /nfs/dbraw/zinc/80/81/34/573808134.db2.gz XNSYWHBXQRZDAW-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc[nH]1 259196445 573810935 /nfs/dbraw/zinc/81/09/35/573810935.db2.gz WRFUFOUJRDODES-WDEREUQCSA-N 1 3 193.294 1.027 10 0 ADAEHO CN[C@@H](c1ccc[nH]1)C(C)(C)C[NH3+] 259571514 573810669 /nfs/dbraw/zinc/81/06/69/573810669.db2.gz VPJGXDSOCVSGKM-VIFPVBQESA-N 1 3 181.283 1.260 10 0 ADAEHO C[NH2+][C@@H](c1ccc[nH]1)C(C)(C)CN 259571514 573810677 /nfs/dbraw/zinc/81/06/77/573810677.db2.gz VPJGXDSOCVSGKM-VIFPVBQESA-N 1 3 181.283 1.260 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc[nH]1 259196438 573810835 /nfs/dbraw/zinc/81/08/35/573810835.db2.gz WRFUFOUJRDODES-GHMZBOCLSA-N 1 3 193.294 1.027 10 0 ADAEHO CC(C)[C@@H](CN)[C@@H]([NH3+])C(C)(C)C 259571697 573810866 /nfs/dbraw/zinc/81/08/66/573810866.db2.gz VQGFMNCQSZOWFR-RKDXNWHRSA-N 1 3 172.316 1.591 10 0 ADAEHO CC(C)[C@@H](C[NH3+])[C@@H](N)C(C)(C)C 259571697 573810869 /nfs/dbraw/zinc/81/08/69/573810869.db2.gz VQGFMNCQSZOWFR-RKDXNWHRSA-N 1 3 172.316 1.591 10 0 ADAEHO COCC[N@H+](CC(C)(C)N)C(C)C 131297014 573810892 /nfs/dbraw/zinc/81/08/92/573810892.db2.gz QJUGIGZIKVBHCM-UHFFFAOYSA-N 1 3 188.315 1.081 10 0 ADAEHO COCC[N@@H+](CC(C)(C)N)C(C)C 131297014 573810897 /nfs/dbraw/zinc/81/08/97/573810897.db2.gz QJUGIGZIKVBHCM-UHFFFAOYSA-N 1 3 188.315 1.081 10 0 ADAEHO CC(C)CNC[C@@]1(C)CCCC[NH2+]1 127357830 573813893 /nfs/dbraw/zinc/81/38/93/573813893.db2.gz VLPLGLPMNYTFTR-LLVKDONJSA-N 1 3 184.327 1.764 10 0 ADAEHO CSC[C@H](C)N[C@H]1CC[C@H]([NH3+])C1 127359616 573814076 /nfs/dbraw/zinc/81/40/76/573814076.db2.gz VPTHBFDWWRUFBQ-CIUDSAMLSA-N 1 3 188.340 1.207 10 0 ADAEHO Cc1ccc([C@@H]2CNC[C@H]([NH3+])C2)cc1 238522330 573814118 /nfs/dbraw/zinc/81/41/18/573814118.db2.gz NYHITPPRCNISAQ-NWDGAFQWSA-N 1 3 190.290 1.399 10 0 ADAEHO Cc1ccc([C@@H]2CNC[C@@H]([NH3+])C2)cc1 238521774 573814216 /nfs/dbraw/zinc/81/42/16/573814216.db2.gz NYHITPPRCNISAQ-RYUDHWBXSA-N 1 3 190.290 1.399 10 0 ADAEHO CSC[C@H](C)N[C@@H]1CC[C@H]([NH3+])C1 127359129 573814251 /nfs/dbraw/zinc/81/42/51/573814251.db2.gz VPTHBFDWWRUFBQ-XHNCKOQMSA-N 1 3 188.340 1.207 10 0 ADAEHO C[NH2+][C@H]1CCN(C(C)C)CC1(C)C 259198720 573814267 /nfs/dbraw/zinc/81/42/67/573814267.db2.gz IRAULMRPRGUJNT-JTQLQIEISA-N 1 3 184.327 1.715 10 0 ADAEHO [NH3+][C@@H](CCN1CCC2(CC2)C1)C1CC1 400042762 573823391 /nfs/dbraw/zinc/82/33/91/573823391.db2.gz OGGVWUUMSWWDEW-NSHDSACASA-N 1 3 194.322 1.600 10 0 ADAEHO Cc1cc(F)c(CN)cc1C[NH3+] 238524579 573823393 /nfs/dbraw/zinc/82/33/93/573823393.db2.gz JZGJZGWPOCLIFC-UHFFFAOYSA-N 1 3 168.215 1.052 10 0 ADAEHO CN(CC[C@@H]1CCCC[NH2+]1)CC1CC1 43498681 573823617 /nfs/dbraw/zinc/82/36/17/573823617.db2.gz CPFKSSZAGBDTEK-LBPRGKRZSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC[C@H]1CC[N@@H+]([C@@H](C)C2CNC2)C1 686255647 573830333 /nfs/dbraw/zinc/83/03/33/573830333.db2.gz PAUYYKBULDEYBZ-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@H]1CC[N@H+]([C@@H](C)C2CNC2)C1 686255647 573830338 /nfs/dbraw/zinc/83/03/38/573830338.db2.gz PAUYYKBULDEYBZ-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO NCC1(C[NH2+]CC2CCCC2)CC1 258965232 573830414 /nfs/dbraw/zinc/83/04/14/573830414.db2.gz SDWHALRHZFERKI-UHFFFAOYSA-N 1 3 182.311 1.505 10 0 ADAEHO C/C=C/CN1CC[C@H]([NH3+])[C@H](CC)C1 122850628 573830438 /nfs/dbraw/zinc/83/04/38/573830438.db2.gz OOKPXCPODMRLHN-YYMQPOIQSA-N 1 3 182.311 1.622 10 0 ADAEHO CN[C@H](CC[NH3+])c1cc(C)ccc1C 259621910 573830462 /nfs/dbraw/zinc/83/04/62/573830462.db2.gz XWVLITCUNWKQBQ-GFCCVEGCSA-N 1 3 192.306 1.913 10 0 ADAEHO CN[C@@H](CC[NH3+])c1cc(C)ccc1C 259621914 573831346 /nfs/dbraw/zinc/83/13/46/573831346.db2.gz XWVLITCUNWKQBQ-LBPRGKRZSA-N 1 3 192.306 1.913 10 0 ADAEHO CC[NH+]1CCC(C[C@@H]2NCCO2)CC1 258142987 573831603 /nfs/dbraw/zinc/83/16/03/573831603.db2.gz ORVOOEZSLVOGLI-LLVKDONJSA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@H](C[NH3+])C1(F)CCN(C)CC1 257886202 573831797 /nfs/dbraw/zinc/83/17/97/573831797.db2.gz MOUMKZKOVJRYTO-MRVPVSSYSA-N 1 3 174.263 1.015 10 0 ADAEHO CCC[C@@H]1CC[N@@H+]([C@@H](C)C2CNC2)C1 686255649 573831861 /nfs/dbraw/zinc/83/18/61/573831861.db2.gz PAUYYKBULDEYBZ-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H]1CC[N@H+]([C@@H](C)C2CNC2)C1 686255649 573831866 /nfs/dbraw/zinc/83/18/66/573831866.db2.gz PAUYYKBULDEYBZ-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@H]1CC[N@@H+]([C@H](C)C2CNC2)C1 686255645 573832167 /nfs/dbraw/zinc/83/21/67/573832167.db2.gz PAUYYKBULDEYBZ-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@H]1CC[N@H+]([C@H](C)C2CNC2)C1 686255645 573832175 /nfs/dbraw/zinc/83/21/75/573832175.db2.gz PAUYYKBULDEYBZ-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C[NH3+])C1(F)CCN(C)CC1 257886204 573832422 /nfs/dbraw/zinc/83/24/22/573832422.db2.gz MOUMKZKOVJRYTO-QMMMGPOBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[NH2+]C[C@@H]1CCCCC[C@H]1N 87222560 573832435 /nfs/dbraw/zinc/83/24/35/573832435.db2.gz RYRJRXLTDYJUKK-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO CNC[C@@H]1CCCCC[C@H]1[NH3+] 87222560 573832439 /nfs/dbraw/zinc/83/24/39/573832439.db2.gz RYRJRXLTDYJUKK-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO Cc1[nH]c(N)[nH+]c1C1CCN(C)CC1 259205935 573835481 /nfs/dbraw/zinc/83/54/81/573835481.db2.gz QOMBRSJZTGASEK-UHFFFAOYSA-N 1 3 194.282 1.110 10 0 ADAEHO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C2CNC2)C1 686255475 573835527 /nfs/dbraw/zinc/83/55/27/573835527.db2.gz LBSKDTWJFIKWEH-GHMZBOCLSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)[C@@H]1CC[N@H+]([C@H](C)C2CNC2)C1 686255475 573835531 /nfs/dbraw/zinc/83/55/31/573835531.db2.gz LBSKDTWJFIKWEH-GHMZBOCLSA-N 1 3 196.338 1.572 10 0 ADAEHO Cc1ccccc1[C@H]([NH3+])C(C)(C)CN 259575286 573835618 /nfs/dbraw/zinc/83/56/18/573835618.db2.gz YUIFUXMEUZJWKP-NSHDSACASA-N 1 3 192.306 1.980 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCCCC[C@H]1N 87222516 573835923 /nfs/dbraw/zinc/83/59/23/573835923.db2.gz ISSRNNPYPZGUSP-GHMZBOCLSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCCCC[C@@H]1N 87222510 573836014 /nfs/dbraw/zinc/83/60/14/573836014.db2.gz ISSRNNPYPZGUSP-QWRGUYRKSA-N 1 3 184.327 1.892 10 0 ADAEHO CC1CC(N2CC[NH2+][C@H](C)CC2)C1 122859822 573837363 /nfs/dbraw/zinc/83/73/63/573837363.db2.gz ZFFMQBQDGYLAPJ-HSOILSAZSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)CC[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238155511 573837450 /nfs/dbraw/zinc/83/74/50/573837450.db2.gz FVLUXWAZKQGENK-ZSBIGDGJSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)CC[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238155511 573837452 /nfs/dbraw/zinc/83/74/52/573837452.db2.gz FVLUXWAZKQGENK-ZSBIGDGJSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)(N)C[NH2+]CCOC(C)(C)C 308762301 573837471 /nfs/dbraw/zinc/83/74/71/573837471.db2.gz YNRKARSWRPBKGQ-UHFFFAOYSA-N 1 3 188.315 1.128 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C(C)(C)C 258966708 573837839 /nfs/dbraw/zinc/83/78/39/573837839.db2.gz KZQRTJDJXILNAI-SNVBAGLBSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C(C)(C)C 258966708 573837845 /nfs/dbraw/zinc/83/78/45/573837845.db2.gz KZQRTJDJXILNAI-SNVBAGLBSA-N 1 3 186.343 1.948 10 0 ADAEHO CN[C@H](C[NH2+]C1CC1)C1CCCCC1 259575190 573837991 /nfs/dbraw/zinc/83/79/91/573837991.db2.gz WWTXRZBDLQZJBF-GFCCVEGCSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1CCC(C[NH3+])(CN(C)C)CC1 84339828 573842412 /nfs/dbraw/zinc/84/24/12/573842412.db2.gz OIRSZUJBEMNALX-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO CC1CCC(CN)(C[NH+](C)C)CC1 84339828 573842418 /nfs/dbraw/zinc/84/24/18/573842418.db2.gz OIRSZUJBEMNALX-UHFFFAOYSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1CCC[C@](C[NH3+])(CN(C)C)C1 84346149 573842451 /nfs/dbraw/zinc/84/24/51/573842451.db2.gz ZLRGFMTTXIRPHQ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1CCC[C@](CN)(C[NH+](C)C)C1 84346149 573842457 /nfs/dbraw/zinc/84/24/57/573842457.db2.gz ZLRGFMTTXIRPHQ-QWRGUYRKSA-N 1 3 184.327 1.703 10 0 ADAEHO CSC[C@@H](C)[NH2+]C1CCNCC1 127393148 573841820 /nfs/dbraw/zinc/84/18/20/573841820.db2.gz KPBAGQUSDOFWAR-MRVPVSSYSA-N 1 3 188.340 1.080 10 0 ADAEHO CSC[C@@H](C)NC1CC[NH2+]CC1 127393148 573841827 /nfs/dbraw/zinc/84/18/27/573841827.db2.gz KPBAGQUSDOFWAR-MRVPVSSYSA-N 1 3 188.340 1.080 10 0 ADAEHO CN[C@@H](CCC[NH3+])c1ccccn1 259209526 573847210 /nfs/dbraw/zinc/84/72/10/573847210.db2.gz FRPDNNAMHHKZAE-VIFPVBQESA-N 1 3 179.267 1.081 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CCC[C@@H]2CN)C1 87232798 573847213 /nfs/dbraw/zinc/84/72/13/573847213.db2.gz UNZMCFSMJWIORO-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CCC[C@@H]2CN)C1 87232798 573847218 /nfs/dbraw/zinc/84/72/18/573847218.db2.gz UNZMCFSMJWIORO-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[N@@H+]1CCCNCC(C)(C)C1 259209828 573846515 /nfs/dbraw/zinc/84/65/15/573846515.db2.gz CMPZLPKAIOAEIF-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCC[N@H+]1CCCNCC(C)(C)C1 259209828 573846523 /nfs/dbraw/zinc/84/65/23/573846523.db2.gz CMPZLPKAIOAEIF-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCCN1CCC[NH2+]CC(C)(C)C1 259209828 573846529 /nfs/dbraw/zinc/84/65/29/573846529.db2.gz CMPZLPKAIOAEIF-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO C[C@@H]([NH3+])Cn1ccc2cnccc21 258159136 573846710 /nfs/dbraw/zinc/84/67/10/573846710.db2.gz QKCQJEVCLBHGTM-MRVPVSSYSA-N 1 3 175.235 1.384 10 0 ADAEHO C[C@H]([NH3+])Cn1ccc2cnccc21 258159155 573847856 /nfs/dbraw/zinc/84/78/56/573847856.db2.gz QKCQJEVCLBHGTM-QMMMGPOBSA-N 1 3 175.235 1.384 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252207 573847358 /nfs/dbraw/zinc/84/73/58/573847358.db2.gz VZWOGRNQEMARFU-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87252207 573847364 /nfs/dbraw/zinc/84/73/64/573847364.db2.gz VZWOGRNQEMARFU-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CSC[C@H]([NH3+])C1CCN(C)CC1 258158177 573847477 /nfs/dbraw/zinc/84/74/77/573847477.db2.gz NHTKOQCKWYHKEK-VIFPVBQESA-N 1 3 188.340 1.019 10 0 ADAEHO C[NH2+]CC(C)(C)NC1CCCCC1 258972301 573847496 /nfs/dbraw/zinc/84/74/96/573847496.db2.gz NTIRVWWQZAONDE-UHFFFAOYSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)[C@]1([C@@H]2CCN(C)C2)CCC[NH2+]1 258158813 573847648 /nfs/dbraw/zinc/84/76/48/573847648.db2.gz KWCIRWPNIBWARS-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CCC[C@H](N)C2)C1 87252059 573847788 /nfs/dbraw/zinc/84/77/88/573847788.db2.gz WCNOVVPTBLTULI-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CCC[C@H](N)C2)C1 87252059 573847794 /nfs/dbraw/zinc/84/77/94/573847794.db2.gz WCNOVVPTBLTULI-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1[C@H]([NH3+])CCN1C(C)C 84329188 573859287 /nfs/dbraw/zinc/85/92/87/573859287.db2.gz LNUGLJSSOUEVSV-RKDXNWHRSA-N 1 3 156.273 1.206 10 0 ADAEHO CCN1CC[C@@H]([NH3+])[C@@H]1C(C)C 84329196 573858631 /nfs/dbraw/zinc/85/86/31/573858631.db2.gz DVJWVCVXTRMFAU-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H]1CCN(C)C1 84329090 573858852 /nfs/dbraw/zinc/85/88/52/573858852.db2.gz WDLQDJHKYYYNNM-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CN1CC[C@H]([C@@H]([NH3+])C(C)(C)C)C1 84331937 573858974 /nfs/dbraw/zinc/85/89/74/573858974.db2.gz GLVXZFRRRLCWLA-DTWKUNHWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H]1[C@H]([NH3+])CCN1C(C)C 84329190 573859053 /nfs/dbraw/zinc/85/90/53/573859053.db2.gz LNUGLJSSOUEVSV-BDAKNGLRSA-N 1 3 156.273 1.206 10 0 ADAEHO CCN(CC)CC[C@H]([NH3+])C1=COCC1 393653310 573859196 /nfs/dbraw/zinc/85/91/96/573859196.db2.gz BFNWUGWNGYGRDV-NSHDSACASA-N 1 3 198.310 1.350 10 0 ADAEHO CC(C)[C@]1([NH3+])CCCN(C)CC1 84331911 573862016 /nfs/dbraw/zinc/86/20/16/573862016.db2.gz RDQBVHVGRGHDSW-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO Cc1ccc([C@H]2CNC[C@H]([NH3+])C2)cc1 238547629 573862083 /nfs/dbraw/zinc/86/20/83/573862083.db2.gz NYHITPPRCNISAQ-VXGBXAGGSA-N 1 3 190.290 1.399 10 0 ADAEHO CN1CC[C@@H]([C@H]([NH3+])C(C)(C)C)C1 84331936 573862116 /nfs/dbraw/zinc/86/21/16/573862116.db2.gz GLVXZFRRRLCWLA-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H]1CCN(C)C1 84329091 573862210 /nfs/dbraw/zinc/86/22/10/573862210.db2.gz WDLQDJHKYYYNNM-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(CC)CC[C@@H](C)[NH2+]C 43809115 573862230 /nfs/dbraw/zinc/86/22/30/573862230.db2.gz ZPLCFZQPOBHKCS-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CCC[NH2+][C@@H](C)CCN1CCCC1 43807821 573865050 /nfs/dbraw/zinc/86/50/50/573865050.db2.gz YPPSEDSCMHPTIV-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+][C@H](C)CCN1CCCC[C@@H]1C 43809959 573865105 /nfs/dbraw/zinc/86/51/05/573865105.db2.gz CYVZCUGERIATOS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CCCC[C@@H]1C 43809959 573865110 /nfs/dbraw/zinc/86/51/10/573865110.db2.gz CYVZCUGERIATOS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CCCC[C@@H]1C 43809959 573865117 /nfs/dbraw/zinc/86/51/17/573865117.db2.gz CYVZCUGERIATOS-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO [NH3+]CC1(CNCc2ccc[nH]2)CCC1 258975096 573865187 /nfs/dbraw/zinc/86/51/87/573865187.db2.gz UCYPWPSSGXGXGL-UHFFFAOYSA-N 1 3 193.294 1.233 10 0 ADAEHO NCC1(C[NH2+]Cc2ccc[nH]2)CCC1 258975096 573865194 /nfs/dbraw/zinc/86/51/94/573865194.db2.gz UCYPWPSSGXGXGL-UHFFFAOYSA-N 1 3 193.294 1.233 10 0 ADAEHO C[NH2+][C@@H](C)CCN1CCC(C)CC1 43806547 573865384 /nfs/dbraw/zinc/86/53/84/573865384.db2.gz KWIZZPFXUJYEQM-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CNC[C@H](C(C)C)[C@H](C)[NH2+]C 259214002 573865647 /nfs/dbraw/zinc/86/56/47/573865647.db2.gz LOGBEYKDERLTGN-DTWKUNHWSA-N 1 3 158.289 1.086 10 0 ADAEHO CN[C@@H](C)[C@H](C[NH2+]C)C(C)C 259214002 573865652 /nfs/dbraw/zinc/86/56/52/573865652.db2.gz LOGBEYKDERLTGN-DTWKUNHWSA-N 1 3 158.289 1.086 10 0 ADAEHO CN1CCCC[C@H]1[C@@H]([NH3+])C(C)(C)C 84345461 573865799 /nfs/dbraw/zinc/86/57/99/573865799.db2.gz XDVJVKDKXRHCLB-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@]1([NH3+])CCCN(C)CC1 84345422 573866539 /nfs/dbraw/zinc/86/65/39/573866539.db2.gz COCDNVBNCNLXOK-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH2+][C@H](C)CCN(CC)CC 43809435 573865966 /nfs/dbraw/zinc/86/59/66/573865966.db2.gz JUEOXNHJONBKNT-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CN1C[C@H](C(C)(C)C)C[C@@H]1C[NH3+] 258440967 573866095 /nfs/dbraw/zinc/86/60/95/573866095.db2.gz FBICTGKAIZVMLG-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H](C)[C@@]1([NH3+])CCCN(C)CC1 84345427 573866762 /nfs/dbraw/zinc/86/67/62/573866762.db2.gz COCDNVBNCNLXOK-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[NH2+][C@H](C)CCN1CCCC1 43807511 573866866 /nfs/dbraw/zinc/86/68/66/573866866.db2.gz HQNWMPJWEMZVOA-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[NH2+][C@H](C)CCN1CCCC1 43807823 573866902 /nfs/dbraw/zinc/86/69/02/573866902.db2.gz YPPSEDSCMHPTIV-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CN1CCCC[C@@H]1[C@H]([NH3+])C(C)(C)C 84345472 573866991 /nfs/dbraw/zinc/86/69/91/573866991.db2.gz XDVJVKDKXRHCLB-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CN1C[C@@H](C(C)(C)C)C[C@H]1C[NH3+] 258440957 573867070 /nfs/dbraw/zinc/86/70/70/573867070.db2.gz FBICTGKAIZVMLG-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CN1C[C@H](C(C)(C)C)C[C@H]1C[NH3+] 258440938 573867347 /nfs/dbraw/zinc/86/73/47/573867347.db2.gz FBICTGKAIZVMLG-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO [NH3+]C[C@H]1CCCN[C@H]1c1ccccc1 238555902 573878072 /nfs/dbraw/zinc/87/80/72/573878072.db2.gz KGADWCLCIUCNGS-NEPJUHHUSA-N 1 3 190.290 1.686 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H](C)C[C@@H]1C 222765184 573878121 /nfs/dbraw/zinc/87/81/21/573878121.db2.gz CVEYMDJPOTUGKU-BJDJZHNGSA-N 1 3 196.338 1.715 10 0 ADAEHO CNC[C@@H]1CC[C@@H]1[N@H+]1C[C@@H](C)C[C@@H]1C 222765184 573878127 /nfs/dbraw/zinc/87/81/27/573878127.db2.gz CVEYMDJPOTUGKU-BJDJZHNGSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]([C@H](C)CN)[NH+]1CCCCC1 80089130 573878231 /nfs/dbraw/zinc/87/82/31/573878231.db2.gz AVDMXECPHHHJNQ-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CN)[C@H](C)[NH+]1CCCCC1 80089126 573878394 /nfs/dbraw/zinc/87/83/94/573878394.db2.gz AVDMXECPHHHJNQ-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CNCC[C@H]([NH2+]C)C1CCCCC1 259217229 573878525 /nfs/dbraw/zinc/87/85/25/573878525.db2.gz FBHWEVZBWJMPIW-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO NCCC[NH2+]CCCCC1CC1 78232793 573884706 /nfs/dbraw/zinc/88/47/06/573884706.db2.gz GMAHVARDANOVDC-UHFFFAOYSA-N 1 3 170.300 1.505 10 0 ADAEHO CN[C@H](C1CCC1)C(C)(C)[NH2+]C 259577120 573884508 /nfs/dbraw/zinc/88/45/08/573884508.db2.gz WZINHMJBNTWRJR-SECBINFHSA-N 1 3 170.300 1.373 10 0 ADAEHO [NH3+]C[C@@H]1CCCN[C@H]1c1ccccc1 238560466 573886018 /nfs/dbraw/zinc/88/60/18/573886018.db2.gz KGADWCLCIUCNGS-RYUDHWBXSA-N 1 3 190.290 1.686 10 0 ADAEHO C[C@H]1[C@@H](CN)CC[N@@H+]1C(C)(C)C 259219583 573886606 /nfs/dbraw/zinc/88/66/06/573886606.db2.gz CXBMZYKZKKIGAB-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1[C@@H](CN)CC[N@H+]1C(C)(C)C 259219583 573886610 /nfs/dbraw/zinc/88/66/10/573886610.db2.gz CXBMZYKZKKIGAB-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO [NH3+]CCCCCNCc1cncs1 131589750 573890128 /nfs/dbraw/zinc/89/01/28/573890128.db2.gz LXDRUUBMFCFTFJ-UHFFFAOYSA-N 1 3 199.323 1.362 10 0 ADAEHO CNCC1(C[NH2+]CC2CCC2)CC1 258987540 573890136 /nfs/dbraw/zinc/89/01/36/573890136.db2.gz VEQHIFARLSCLOT-UHFFFAOYSA-N 1 3 182.311 1.376 10 0 ADAEHO CN(CCC(C)(C)[NH3+])C1CCC1 127508072 573890186 /nfs/dbraw/zinc/89/01/86/573890186.db2.gz BQEPLWDGCSVONC-UHFFFAOYSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[C@@](C)(N)C[N@H+](C)C1CCC1 127522820 573890360 /nfs/dbraw/zinc/89/03/60/573890360.db2.gz NKDAWWLKHHPZHV-LLVKDONJSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@@](C)(N)C[N@@H+](C)C1CCC1 127522820 573890366 /nfs/dbraw/zinc/89/03/66/573890366.db2.gz NKDAWWLKHHPZHV-LLVKDONJSA-N 1 3 184.327 1.988 10 0 ADAEHO C[N@H+](C[C@@](C)(N)C1CC1)C1CCC1 127506073 573890785 /nfs/dbraw/zinc/89/07/85/573890785.db2.gz HCZPIHZNHVYGEQ-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](C[C@@](C)(N)C1CC1)C1CCC1 127506073 573890789 /nfs/dbraw/zinc/89/07/89/573890789.db2.gz HCZPIHZNHVYGEQ-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](N1C[C@H]2C[NH2+]C[C@@H]2C1)C1(C)CC1 87365047 573891104 /nfs/dbraw/zinc/89/11/04/573891104.db2.gz JHLNAQPHRXEOKS-HBNTYKKESA-N 1 3 194.322 1.326 10 0 ADAEHO C[NH+]1CCC2(CC1)C[C@H](F)CCN2 258987891 573891257 /nfs/dbraw/zinc/89/12/57/573891257.db2.gz VWXUMEVPUIFENU-SECBINFHSA-N 1 3 186.274 1.172 10 0 ADAEHO C[C@H](N1CCC([NH3+])CC1)C1(C)CC1 87364795 573891277 /nfs/dbraw/zinc/89/12/77/573891277.db2.gz HYIMVFKNQMWSNN-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]([NH+]1CCC(N)CC1)C1(C)CC1 87364795 573891281 /nfs/dbraw/zinc/89/12/81/573891281.db2.gz HYIMVFKNQMWSNN-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H](N)CC1 76592037 573891300 /nfs/dbraw/zinc/89/13/00/573891300.db2.gz NPTFUEOXDCOHHR-VIFPVBQESA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H](N)CC1 76592037 573891304 /nfs/dbraw/zinc/89/13/04/573891304.db2.gz NPTFUEOXDCOHHR-VIFPVBQESA-N 1 3 156.273 1.208 10 0 ADAEHO CC(C)N1CCC[C@H]([NH3+])CC1 76592037 573891309 /nfs/dbraw/zinc/89/13/09/573891309.db2.gz NPTFUEOXDCOHHR-VIFPVBQESA-N 1 3 156.273 1.208 10 0 ADAEHO CN(CC[C@@H]([NH3+])C1CC1)C1CCC1 127519131 573891463 /nfs/dbraw/zinc/89/14/63/573891463.db2.gz LQOGYTUVARSUFX-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+][C@H](CC(C)C)[C@H](CN)C(C)C 259224822 573898859 /nfs/dbraw/zinc/89/88/59/573898859.db2.gz MHHXGNMXBXNKDE-GHMZBOCLSA-N 1 3 186.343 1.851 10 0 ADAEHO CNCC1(C[NH2+]CC(C)(C)C)CC1 258993145 573899180 /nfs/dbraw/zinc/89/91/80/573899180.db2.gz VRPXGBOUGXSAFM-UHFFFAOYSA-N 1 3 184.327 1.622 10 0 ADAEHO C[C@H](CN)[C@H]([NH3+])C1CCCC1 259227622 573899197 /nfs/dbraw/zinc/89/91/97/573899197.db2.gz HECKBYJMPUYXCW-APPZFPTMSA-N 1 3 156.273 1.099 10 0 ADAEHO CCCN(C)CC1(C[NH2+]C)CC1 258991609 573899278 /nfs/dbraw/zinc/89/92/78/573899278.db2.gz VROLVGONMCIEQR-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CCC[N@H+](C)CC1(CNC)CC1 258991609 573899283 /nfs/dbraw/zinc/89/92/83/573899283.db2.gz VROLVGONMCIEQR-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CCC[N@@H+](C)CC1(CNC)CC1 258991609 573899286 /nfs/dbraw/zinc/89/92/86/573899286.db2.gz VROLVGONMCIEQR-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC(C)[C@H](CN)C[N@H+](C)C1CCC1 127532180 573901167 /nfs/dbraw/zinc/90/11/67/573901167.db2.gz WHQVZYJQGWKEJY-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](CN)C[N@@H+](C)C1CCC1 127532180 573901171 /nfs/dbraw/zinc/90/11/71/573901171.db2.gz WHQVZYJQGWKEJY-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H](N)[C@H](CC)C[NH2+]C 259226086 573901172 /nfs/dbraw/zinc/90/11/72/573901172.db2.gz FJIIKXUMYWQEEM-RKDXNWHRSA-N 1 3 158.289 1.359 10 0 ADAEHO CC(C)[C@H](C[NH3+])CN(C)C1CCC1 127532180 573901176 /nfs/dbraw/zinc/90/11/76/573901176.db2.gz WHQVZYJQGWKEJY-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CCC[C@@H]([NH3+])[C@H](CC)CNC 259226086 573901177 /nfs/dbraw/zinc/90/11/77/573901177.db2.gz FJIIKXUMYWQEEM-RKDXNWHRSA-N 1 3 158.289 1.359 10 0 ADAEHO CCCCOCCC[NH2+]CCCN 41620030 573901655 /nfs/dbraw/zinc/90/16/55/573901655.db2.gz PXUTWOPZBPSYLO-UHFFFAOYSA-N 1 3 188.315 1.132 10 0 ADAEHO CC[C@@H](CNC)[C@H](C1CCC1)[NH+](C)C 259232371 573906919 /nfs/dbraw/zinc/90/69/19/573906919.db2.gz QTQPBCHKIGKHHP-CMPLNLGQSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](C1CCC1)N(C)C 259232371 573906923 /nfs/dbraw/zinc/90/69/23/573906923.db2.gz QTQPBCHKIGKHHP-CMPLNLGQSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](C[NH3+])c1ccc(CN(C)C)cc1 41664051 573906925 /nfs/dbraw/zinc/90/69/25/573906925.db2.gz HAOIOIMJZPGLBY-SNVBAGLBSA-N 1 3 192.306 1.810 10 0 ADAEHO CC[C@H]([NH2+][C@@H](C)C1CNC1)C1CCC1 686251385 573902812 /nfs/dbraw/zinc/90/28/12/573902812.db2.gz ZQHQAMIAHVWFMI-CABZTGNLSA-N 1 3 196.338 1.763 10 0 ADAEHO CCC[C@H](N)[C@H](CC)C[NH2+]C 259226077 573903112 /nfs/dbraw/zinc/90/31/12/573903112.db2.gz FJIIKXUMYWQEEM-BDAKNGLRSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@H]([NH3+])[C@H](CC)CNC 259226077 573903117 /nfs/dbraw/zinc/90/31/17/573903117.db2.gz FJIIKXUMYWQEEM-BDAKNGLRSA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@H](CC(N)=[NH2+])N(C)C1CCC1 127473671 573903141 /nfs/dbraw/zinc/90/31/41/573903141.db2.gz QNUCUNICUKLQEI-SSDOTTSWSA-N 1 3 169.272 1.185 10 0 ADAEHO CC(C)(C[NH3+])[C@@]1(F)CCCNC1 257903817 573903153 /nfs/dbraw/zinc/90/31/53/573903153.db2.gz PIAUHIFSYMYDJY-SECBINFHSA-N 1 3 174.263 1.063 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)C1CCC1 127474458 573903403 /nfs/dbraw/zinc/90/34/03/573903403.db2.gz IFWMYSBLXAZFPO-QMMMGPOBSA-N 1 3 183.299 1.575 10 0 ADAEHO C[C@H]([NH3+])CCCN(C)c1ccncc1 259000061 573906938 /nfs/dbraw/zinc/90/69/38/573906938.db2.gz WPMHTPYESYIWLJ-JTQLQIEISA-N 1 3 193.294 1.645 10 0 ADAEHO CC[C@H](CNC)[C@@H](C1CCC1)[NH+](C)C 259232380 573907105 /nfs/dbraw/zinc/90/71/05/573907105.db2.gz QTQPBCHKIGKHHP-PWSUYJOCSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](C1CCC1)N(C)C 259232380 573907111 /nfs/dbraw/zinc/90/71/11/573907111.db2.gz QTQPBCHKIGKHHP-PWSUYJOCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@@H](C1CCC1)[C@@H]1CCCNC1 259233094 573907196 /nfs/dbraw/zinc/90/71/96/573907196.db2.gz GMQWUHGOHNWTGR-MNOVXSKESA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@@H](CN(C)CC1CCCC1)C(N)=[NH2+] 44413535 573907407 /nfs/dbraw/zinc/90/74/07/573907407.db2.gz KZJFXQQZBHZCEL-VIFPVBQESA-N 1 3 197.326 1.680 10 0 ADAEHO CC[C@@H](CNC)[C@@H](C1CCC1)[NH+](C)C 259232376 573907418 /nfs/dbraw/zinc/90/74/18/573907418.db2.gz QTQPBCHKIGKHHP-JQWIXIFHSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](C1CCC1)N(C)C 259232376 573907422 /nfs/dbraw/zinc/90/74/22/573907422.db2.gz QTQPBCHKIGKHHP-JQWIXIFHSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]Cc1cnc(N)n1C(C)C 258178774 573907453 /nfs/dbraw/zinc/90/74/53/573907453.db2.gz MRUOXDAILDOKBM-UHFFFAOYSA-N 1 3 182.271 1.156 10 0 ADAEHO CCNCc1c[nH+]c(N)n1C(C)C 258178774 573907459 /nfs/dbraw/zinc/90/74/59/573907459.db2.gz MRUOXDAILDOKBM-UHFFFAOYSA-N 1 3 182.271 1.156 10 0 ADAEHO C[C@H](CN(C)CC1CCCC1)C(N)=[NH2+] 44413537 573907482 /nfs/dbraw/zinc/90/74/82/573907482.db2.gz KZJFXQQZBHZCEL-SECBINFHSA-N 1 3 197.326 1.680 10 0 ADAEHO C[N@@H+]1CCC(C)(C)CC[C@@H]1CCN 76629750 573907489 /nfs/dbraw/zinc/90/74/89/573907489.db2.gz LIWXHZBWRDHHHO-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[N@H+]1CCC(C)(C)CC[C@@H]1CCN 76629750 573907495 /nfs/dbraw/zinc/90/74/95/573907495.db2.gz LIWXHZBWRDHHHO-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+][C@H]([C@@H](C)CN)C(C)(C)C 259580276 573907570 /nfs/dbraw/zinc/90/75/70/573907570.db2.gz WBEPMMNQOMJNEJ-JGVFFNPUSA-N 1 3 158.289 1.215 10 0 ADAEHO C[N@@H+]1CC[C@H](N)[C@@H]1Cc1ccccc1 76634737 573913771 /nfs/dbraw/zinc/91/37/71/573913771.db2.gz HIMRPNVGMLWXDM-RYUDHWBXSA-N 1 3 190.290 1.261 10 0 ADAEHO C[N@H+]1CC[C@H](N)[C@@H]1Cc1ccccc1 76634737 573913772 /nfs/dbraw/zinc/91/37/72/573913772.db2.gz HIMRPNVGMLWXDM-RYUDHWBXSA-N 1 3 190.290 1.261 10 0 ADAEHO CN[C@H](c1cc[nH]c1)C1(C[NH3+])CC1 259580587 573913851 /nfs/dbraw/zinc/91/38/51/573913851.db2.gz XFXBSLURSHNHIC-SECBINFHSA-N 1 3 179.267 1.014 10 0 ADAEHO C[NH2+][C@H](c1cc[nH]c1)C1(CN)CC1 259580587 573913855 /nfs/dbraw/zinc/91/38/55/573913855.db2.gz XFXBSLURSHNHIC-SECBINFHSA-N 1 3 179.267 1.014 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](NC)c1cc[nH]c1 259237702 573913858 /nfs/dbraw/zinc/91/38/58/573913858.db2.gz MZOFASAZGCVQEG-PSASIEDQSA-N 1 3 181.283 1.260 10 0 ADAEHO CC[C@H]1CC[C@H](CN)[C@@H]([NH3+])C1 224326158 573914061 /nfs/dbraw/zinc/91/40/61/573914061.db2.gz OMIONCHSXDKRCL-YIZRAAEISA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)CCCN(C)C[C@@H]1CC[NH2+]C1 259002192 573914637 /nfs/dbraw/zinc/91/46/37/573914637.db2.gz WYRAEUFEBMQVDF-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)CCCN(C)C[C@H]1CC[NH2+]C1 259004366 573914694 /nfs/dbraw/zinc/91/46/94/573914694.db2.gz WYRAEUFEBMQVDF-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@H]1[C@@H](CN)CCCC[N@@H+]1C 238184354 573915010 /nfs/dbraw/zinc/91/50/10/573915010.db2.gz RLJBTGBBVDLWAJ-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H]1[C@@H](CN)CCCC[N@H+]1C 238184354 573915016 /nfs/dbraw/zinc/91/50/16/573915016.db2.gz RLJBTGBBVDLWAJ-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@](C[NH3+])(C[C@@H]1CCCO1)NC1CC1 689869796 573915102 /nfs/dbraw/zinc/91/51/02/573915102.db2.gz XWXASFSLUGSVIF-WDEREUQCSA-N 1 3 198.310 1.025 10 0 ADAEHO CC[C@@](C)(C[NH3+])CN(C)C1CCC1 127565498 573915122 /nfs/dbraw/zinc/91/51/22/573915122.db2.gz ATVDRVJLOZFUQE-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](NC)c1cc[nH]c1 259237709 573915125 /nfs/dbraw/zinc/91/51/25/573915125.db2.gz MZOFASAZGCVQEG-WCBMZHEXSA-N 1 3 181.283 1.260 10 0 ADAEHO [NH3+]Cc1cccc(CCN2CCC2)c1 257901458 573926553 /nfs/dbraw/zinc/92/65/53/573926553.db2.gz YULXKLOCDZOEMA-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@H]1CCCCCN1 81038668 573926685 /nfs/dbraw/zinc/92/66/85/573926685.db2.gz GSCFYZWCHQTNEU-GHMZBOCLSA-N 1 3 196.338 1.907 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@H]1CCCCCN1 81038665 573926731 /nfs/dbraw/zinc/92/67/31/573926731.db2.gz GSCFYZWCHQTNEU-MNOVXSKESA-N 1 3 196.338 1.907 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@@H]1CCCCCN1 81038664 573926852 /nfs/dbraw/zinc/92/68/52/573926852.db2.gz GSCFYZWCHQTNEU-WDEREUQCSA-N 1 3 196.338 1.907 10 0 ADAEHO CCCCC[NH2+]C(C)(C)CCN 259011274 573926902 /nfs/dbraw/zinc/92/69/02/573926902.db2.gz RICMBHNKESPZOX-UHFFFAOYSA-N 1 3 172.316 1.894 10 0 ADAEHO C1CCN[C@@H](C[NH2+]C2CC2)CC1 81038149 573926986 /nfs/dbraw/zinc/92/69/86/573926986.db2.gz LAEVKSQUFZPMPF-SNVBAGLBSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[NH2+]CCCN1CC[C@@H](CC)C1 127734637 573934630 /nfs/dbraw/zinc/93/46/30/573934630.db2.gz XPYOHVXPMHAVQD-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCNCCC[N@@H+]1CC[C@@H](CC)C1 127734637 573934635 /nfs/dbraw/zinc/93/46/35/573934635.db2.gz XPYOHVXPMHAVQD-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCNCCC[N@H+]1CC[C@@H](CC)C1 127734637 573934640 /nfs/dbraw/zinc/93/46/40/573934640.db2.gz XPYOHVXPMHAVQD-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO C[NH2+]C[C@@H](CN)Cc1cccs1 258462418 573934651 /nfs/dbraw/zinc/93/46/51/573934651.db2.gz XXIODJNCHJFNDT-MRVPVSSYSA-N 1 3 184.308 1.085 10 0 ADAEHO CNC[C@@H](C[NH3+])Cc1cccs1 258462418 573934658 /nfs/dbraw/zinc/93/46/58/573934658.db2.gz XXIODJNCHJFNDT-MRVPVSSYSA-N 1 3 184.308 1.085 10 0 ADAEHO CN(C)CC[C@](C)([NH3+])c1ccccc1 715215956 573933847 /nfs/dbraw/zinc/93/38/47/573933847.db2.gz JDWPRNHDDZEWAU-LBPRGKRZSA-N 1 3 192.306 1.812 10 0 ADAEHO C[NH+](C)CC[C@](C)(N)c1ccccc1 715215956 573933848 /nfs/dbraw/zinc/93/38/48/573933848.db2.gz JDWPRNHDDZEWAU-LBPRGKRZSA-N 1 3 192.306 1.812 10 0 ADAEHO CCC[C@@H]1CCN(C[C@@H](C)[NH3+])C1 127735680 573934179 /nfs/dbraw/zinc/93/41/79/573934179.db2.gz JEIBOGGURQQBFI-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H]1CCN(C[C@@H](C)[NH3+])C1 127735915 573934248 /nfs/dbraw/zinc/93/42/48/573934248.db2.gz JEIBOGGURQQBFI-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@H]1CCC[C@H]([NH+]2CC(CN)C2)C1 84987763 573938024 /nfs/dbraw/zinc/93/80/24/573938024.db2.gz SVFGZBLKCIBILK-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCC[C@H](N2CC(C[NH3+])C2)C1 84987763 573938028 /nfs/dbraw/zinc/93/80/28/573938028.db2.gz SVFGZBLKCIBILK-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](C)[NH2+][C@@H]1CC[C@H](N(C)C)C1 131768251 573937336 /nfs/dbraw/zinc/93/73/36/573937336.db2.gz DXSRCIMGYWPNNE-AXFHLTTASA-N 1 3 184.327 1.857 10 0 ADAEHO CCCCN(C)CC[C@@H]([NH3+])CC 127763633 573937551 /nfs/dbraw/zinc/93/75/51/573937551.db2.gz XBCLNQOMRGANIC-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCC(=O)[C@H]1CCCN(C)C1 259245055 573937621 /nfs/dbraw/zinc/93/76/21/573937621.db2.gz RPQPVSCERWATOY-ZJUUUORDSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H]([NH3+])CCC(=O)[C@@H]1CCCN(C)C1 259245051 573937772 /nfs/dbraw/zinc/93/77/72/573937772.db2.gz RPQPVSCERWATOY-VHSXEESVSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@H]1C[C@@H](N2CC(C[NH3+])C2)CC[C@H]1C 84987663 573937888 /nfs/dbraw/zinc/93/78/88/573937888.db2.gz QPHIDJYQIHNSBN-SCVCMEIPSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@@H]([NH+]2CC(CN)C2)CC[C@H]1C 84987663 573937891 /nfs/dbraw/zinc/93/78/91/573937891.db2.gz QPHIDJYQIHNSBN-SCVCMEIPSA-N 1 3 196.338 1.702 10 0 ADAEHO CCCCN(C)CC[C@H]([NH3+])CC 127763385 573937914 /nfs/dbraw/zinc/93/79/14/573937914.db2.gz XBCLNQOMRGANIC-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO C[C@H]([NH3+])CCC(=O)[C@H]1CCCN(C)C1 259245047 573937932 /nfs/dbraw/zinc/93/79/32/573937932.db2.gz RPQPVSCERWATOY-UWVGGRQHSA-N 1 3 198.310 1.025 10 0 ADAEHO CCC[NH2+]CCCN1CC[C@@H](C)C1 42409720 573940498 /nfs/dbraw/zinc/94/04/98/573940498.db2.gz SFIZJKWUNDRBLT-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)[NH2+]CCCN1CC[C@H](C)C1 42372062 573940527 /nfs/dbraw/zinc/94/05/27/573940527.db2.gz NZNMEUFKKYMZLP-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@H+](C)[C@H](C)C1CC1 42409599 573940546 /nfs/dbraw/zinc/94/05/46/573940546.db2.gz WVSDDPXUNZFTRT-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@H](C)C1CC1 42409599 573940550 /nfs/dbraw/zinc/94/05/50/573940550.db2.gz WVSDDPXUNZFTRT-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]CCCN(C)[C@H](C)C1CC1 42409599 573940556 /nfs/dbraw/zinc/94/05/56/573940556.db2.gz WVSDDPXUNZFTRT-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCCN(CCC[NH2+]CC)C1CC1 42409514 573940588 /nfs/dbraw/zinc/94/05/88/573940588.db2.gz GKECPHOCBJKWEL-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@@H](N)CC[N@H+](CC)C(C)C 127777088 573940670 /nfs/dbraw/zinc/94/06/70/573940670.db2.gz XMIIXYOYWQDHEG-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H](N)CC[N@@H+](CC)C(C)C 127777088 573940678 /nfs/dbraw/zinc/94/06/78/573940678.db2.gz XMIIXYOYWQDHEG-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H]([NH3+])CCN(CC)C(C)C 127777088 573940681 /nfs/dbraw/zinc/94/06/81/573940681.db2.gz XMIIXYOYWQDHEG-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[NH2+]CCCN(C)C[C@H](C)CC 42409529 573940684 /nfs/dbraw/zinc/94/06/84/573940684.db2.gz XKWQNAOLTBXVOO-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@H+](C)C[C@H](C)CC 42409529 573940687 /nfs/dbraw/zinc/94/06/87/573940687.db2.gz XKWQNAOLTBXVOO-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CCNCCC[N@@H+](C)C[C@H](C)CC 42409529 573940691 /nfs/dbraw/zinc/94/06/91/573940691.db2.gz XKWQNAOLTBXVOO-LLVKDONJSA-N 1 3 186.343 1.964 10 0 ADAEHO CC[C@H](C)[N@@H+](C)CC[C@H](N)CC 127780912 573940766 /nfs/dbraw/zinc/94/07/66/573940766.db2.gz VWVULTKQYGGGGH-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[N@H+](C)CC[C@H](N)CC 127780912 573940772 /nfs/dbraw/zinc/94/07/72/573940772.db2.gz VWVULTKQYGGGGH-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)N(C)CC[C@H]([NH3+])CC 127780912 573940778 /nfs/dbraw/zinc/94/07/78/573940778.db2.gz VWVULTKQYGGGGH-VHSXEESVSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[NH2+]CCCN(C)CC 42409479 573940888 /nfs/dbraw/zinc/94/08/88/573940888.db2.gz FWTSEXLRZKQRDK-UHFFFAOYSA-N 1 3 158.289 1.328 10 0 ADAEHO CC[N@H+](CCCNC)C1CCCC1 42409564 573941360 /nfs/dbraw/zinc/94/13/60/573941360.db2.gz XTBNZAGDDCDBQC-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[N@@H+](CCCNC)C1CCCC1 42409564 573941366 /nfs/dbraw/zinc/94/13/66/573941366.db2.gz XTBNZAGDDCDBQC-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H]1CCN(CCC[NH2+]C2CC2)C1 42372059 573941394 /nfs/dbraw/zinc/94/13/94/573941394.db2.gz PRDMFWRYCLDPQW-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@H+](CCCNC2CC2)C1 42372059 573941399 /nfs/dbraw/zinc/94/13/99/573941399.db2.gz PRDMFWRYCLDPQW-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1CC[N@@H+](CCCNC2CC2)C1 42372059 573941406 /nfs/dbraw/zinc/94/14/06/573941406.db2.gz PRDMFWRYCLDPQW-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H](N)CC[N@H+](C)CC(C)C 127780458 573941487 /nfs/dbraw/zinc/94/14/87/573941487.db2.gz GOOABZXSHAFBKD-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](N)CC[N@@H+](C)CC(C)C 127780458 573941492 /nfs/dbraw/zinc/94/14/92/573941492.db2.gz GOOABZXSHAFBKD-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)CC(C)C 127780458 573941497 /nfs/dbraw/zinc/94/14/97/573941497.db2.gz GOOABZXSHAFBKD-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[NH2+]CCCN1CCC[C@@H]1C 42409133 573941647 /nfs/dbraw/zinc/94/16/47/573941647.db2.gz COYMARWRAOSTJQ-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC(C)C[N@@H+]1C[C@H](CN)CC1(C)C 259245916 573946190 /nfs/dbraw/zinc/94/61/90/573946190.db2.gz FAABOPQAJYKJGX-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1C[C@H](CN)CC1(C)C 259245916 573946195 /nfs/dbraw/zinc/94/61/95/573946195.db2.gz FAABOPQAJYKJGX-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CN(CCC(N)=[NH2+])CC1CCCC1 42375046 573946390 /nfs/dbraw/zinc/94/63/90/573946390.db2.gz NAONRHPPYSTIOE-UHFFFAOYSA-N 1 3 183.299 1.434 10 0 ADAEHO C[NH2+]CCNC1(C)CCCCC1 45047266 573946670 /nfs/dbraw/zinc/94/66/70/573946670.db2.gz OKORECMXPKFBAU-UHFFFAOYSA-N 1 3 170.300 1.518 10 0 ADAEHO C[C@H]1C[N@@H+]([C@@H]2CC2(C)C)CC[C@@H]1N 45135317 573948093 /nfs/dbraw/zinc/94/80/93/573948093.db2.gz OFVDVNJKMNKISH-LPEHRKFASA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1C[N@H+]([C@@H]2CC2(C)C)CC[C@@H]1N 45135317 573948101 /nfs/dbraw/zinc/94/81/01/573948101.db2.gz OFVDVNJKMNKISH-LPEHRKFASA-N 1 3 182.311 1.454 10 0 ADAEHO CCC1CC[NH+](C[C@@H](C)CN)CC1 42446223 573951852 /nfs/dbraw/zinc/95/18/52/573951852.db2.gz BDZYJLQNDUWPJW-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CCC1CCN(C[C@@H](C)C[NH3+])CC1 42446223 573951856 /nfs/dbraw/zinc/95/18/56/573951856.db2.gz BDZYJLQNDUWPJW-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@@H](C)CN 42443007 573952173 /nfs/dbraw/zinc/95/21/73/573952173.db2.gz GZVNAOOOXLTSEA-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@@H](C)CN 42443007 573952178 /nfs/dbraw/zinc/95/21/78/573952178.db2.gz GZVNAOOOXLTSEA-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]CCNC1CCCC1 45137673 573955394 /nfs/dbraw/zinc/95/53/94/573955394.db2.gz FBQSKFSTCSXLLT-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)CC(C)(C)C[NH2+]CC1CNC1 259026982 573955479 /nfs/dbraw/zinc/95/54/79/573955479.db2.gz ZHQVHQGSTREYRX-UHFFFAOYSA-N 1 3 198.354 1.868 10 0 ADAEHO CC[N@@H+](CC1CC1)C[C@H](C)CN 42443009 573955488 /nfs/dbraw/zinc/95/54/88/573955488.db2.gz GZVNAOOOXLTSEA-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[N@H+](CC1CC1)C[C@H](C)CN 42443009 573955493 /nfs/dbraw/zinc/95/54/93/573955493.db2.gz GZVNAOOOXLTSEA-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)C[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137884 573955539 /nfs/dbraw/zinc/95/55/39/573955539.db2.gz TZNYYPZFCXRORA-NXEZZACHSA-N 1 3 184.327 1.748 10 0 ADAEHO N[C@]1(C[NH3+])CCC[C@H](C2CC2)C1 81640755 573955638 /nfs/dbraw/zinc/95/56/38/573955638.db2.gz USMIJIIONYFTLR-VHSXEESVSA-N 1 3 168.284 1.243 10 0 ADAEHO CN(CCCC[NH3+])Cc1ccoc1 42447817 573955688 /nfs/dbraw/zinc/95/56/88/573955688.db2.gz NRIGWLCPDSQENG-UHFFFAOYSA-N 1 3 182.267 1.450 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]CCCNC1CC1 45137677 573955750 /nfs/dbraw/zinc/95/57/50/573955750.db2.gz SPAZVTYLHURYHV-JTQLQIEISA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)C[C@@H]1NCCC[NH2+]C1CC1 45137677 573955755 /nfs/dbraw/zinc/95/57/55/573955755.db2.gz SPAZVTYLHURYHV-JTQLQIEISA-N 1 3 182.311 1.517 10 0 ADAEHO N[C@@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81640748 573955801 /nfs/dbraw/zinc/95/58/01/573955801.db2.gz USMIJIIONYFTLR-ZJUUUORDSA-N 1 3 168.284 1.243 10 0 ADAEHO CC[C@@H](C)NCC[NH2+][C@@H]1CC1(C)C 45137963 573955896 /nfs/dbraw/zinc/95/58/96/573955896.db2.gz RTEWQVRNMMBHFZ-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@@H](C)N(CCC(N)=[NH2+])C(C)C 42529756 573963365 /nfs/dbraw/zinc/96/33/65/573963365.db2.gz MGOOGBBYTKNJDQ-SECBINFHSA-N 1 3 185.315 1.821 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)C1CCC1 127897426 573963513 /nfs/dbraw/zinc/96/35/13/573963513.db2.gz MSJFZEPOVGMNKZ-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](N)CC[N@H+](CC)CC1CC1 127901716 573963626 /nfs/dbraw/zinc/96/36/26/573963626.db2.gz KBCHBLLYRHCENW-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](N)CC[N@@H+](CC)CC1CC1 127901716 573963632 /nfs/dbraw/zinc/96/36/32/573963632.db2.gz KBCHBLLYRHCENW-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]([NH3+])CCN(CC)CC1CC1 127901716 573963635 /nfs/dbraw/zinc/96/36/35/573963635.db2.gz KBCHBLLYRHCENW-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CCN)[N@H+](C)[C@@H](C)COC 42517499 573965514 /nfs/dbraw/zinc/96/55/14/573965514.db2.gz MVPDFJDVZNGXDG-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](CCN)[N@@H+](C)[C@@H](C)COC 42517499 573965518 /nfs/dbraw/zinc/96/55/18/573965518.db2.gz MVPDFJDVZNGXDG-VHSXEESVSA-N 1 3 188.315 1.081 10 0 ADAEHO CC1(C)[C@H]2C[C@](C)(N)[C@@H]([NH3+])C[C@H]21 238218829 573965555 /nfs/dbraw/zinc/96/55/55/573965555.db2.gz KGDDYCGZGJQMBA-VEVYYDQMSA-N 1 3 168.284 1.097 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@H+](C)[C@@H](C)COC 42518080 573965853 /nfs/dbraw/zinc/96/58/53/573965853.db2.gz ARGNSYGQYXHRPW-AEJSXWLSSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@H](N)[C@@H](C)[N@@H+](C)[C@@H](C)COC 42518080 573965857 /nfs/dbraw/zinc/96/58/57/573965857.db2.gz ARGNSYGQYXHRPW-AEJSXWLSSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@H](N)CC[N@H+](C)[C@@H](C)C1CC1 127789568 573965878 /nfs/dbraw/zinc/96/58/78/573965878.db2.gz ASFNQNLCFHZVRD-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 127789568 573965884 /nfs/dbraw/zinc/96/58/84/573965884.db2.gz ASFNQNLCFHZVRD-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)[C@@H](C)C1CC1 127789568 573965886 /nfs/dbraw/zinc/96/58/86/573965886.db2.gz ASFNQNLCFHZVRD-ONGXEEELSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)N(CCC(N)=[NH2+])C(C)C 42529757 573965924 /nfs/dbraw/zinc/96/59/24/573965924.db2.gz MGOOGBBYTKNJDQ-VIFPVBQESA-N 1 3 185.315 1.821 10 0 ADAEHO CC[C@@H](N)CC[N@H+](C)[C@@H](C)C1CC1 127789836 573966277 /nfs/dbraw/zinc/96/62/77/573966277.db2.gz ASFNQNLCFHZVRD-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](N)CC[N@@H+](C)[C@@H](C)C1CC1 127789836 573966282 /nfs/dbraw/zinc/96/62/82/573966282.db2.gz ASFNQNLCFHZVRD-GXSJLCMTSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@H+](C[C@@H](C)CN)C1CC1 42554561 573977058 /nfs/dbraw/zinc/97/70/58/573977058.db2.gz UCZJFXKFPILCAQ-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@@H+](C[C@@H](C)CN)C1CC1 42554561 573977062 /nfs/dbraw/zinc/97/70/62/573977062.db2.gz UCZJFXKFPILCAQ-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](N)CC1(C)C 259257749 573984224 /nfs/dbraw/zinc/98/42/24/573984224.db2.gz FNBHUWDCLBSWQQ-SECBINFHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](N)CC1(C)C 259257749 573984228 /nfs/dbraw/zinc/98/42/28/573984228.db2.gz FNBHUWDCLBSWQQ-SECBINFHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)N1CC[C@@H]([NH3+])CC1(C)C 259257749 573984232 /nfs/dbraw/zinc/98/42/32/573984232.db2.gz FNBHUWDCLBSWQQ-SECBINFHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@H+](CC1CC1)[C@H](C)CCN 42563304 573984243 /nfs/dbraw/zinc/98/42/43/573984243.db2.gz LNUOBRDFUUJEIX-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)[C@H](C)CCN 42563304 573984246 /nfs/dbraw/zinc/98/42/46/573984246.db2.gz LNUOBRDFUUJEIX-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](CC1CC1)C[C@@H](C)CN 42563227 573984412 /nfs/dbraw/zinc/98/44/12/573984412.db2.gz ZSHWPLPDXVDVDS-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@H+](CC1CC1)C[C@@H](C)CN 42563227 573984425 /nfs/dbraw/zinc/98/44/25/573984425.db2.gz ZSHWPLPDXVDVDS-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[NH2+]CCCN(C2(C)CC2)C1 123300420 573984700 /nfs/dbraw/zinc/98/47/00/573984700.db2.gz AELBTOQTAOOGPJ-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](C2(C)CC2)C1 123300420 573984703 /nfs/dbraw/zinc/98/47/03/573984703.db2.gz AELBTOQTAOOGPJ-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CNCCC[N@H+](C2(C)CC2)C1 123300420 573984707 /nfs/dbraw/zinc/98/47/07/573984707.db2.gz AELBTOQTAOOGPJ-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO COc1ccc([C@H](N)CC[NH3+])cc1C 259257440 573984941 /nfs/dbraw/zinc/98/49/41/573984941.db2.gz IKXICNFJKXTMJN-SNVBAGLBSA-N 1 3 194.278 1.352 10 0 ADAEHO C#[N+]c1cccc([C@@](C)(N)CO)c1 104450690 573985018 /nfs/dbraw/zinc/98/50/18/573985018.db2.gz UDGGTJNYZLRNRU-JTQLQIEISA-N 1 3 176.219 1.404 10 0 ADAEHO CC1(C)C[C@H](CN2CCCC2)C[NH2+]1 258195397 573985522 /nfs/dbraw/zinc/98/55/22/573985522.db2.gz MZKPPMNOSAQKTQ-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@H](c1ccc[nH]1)C1(C[NH3+])CCC1 259260611 573990862 /nfs/dbraw/zinc/99/08/62/573990862.db2.gz HPICRXFFZSBXFT-SNVBAGLBSA-N 1 3 193.294 1.404 10 0 ADAEHO C[NH2+][C@H](c1ccc[nH]1)C1(CN)CCC1 259260611 573990867 /nfs/dbraw/zinc/99/08/67/573990867.db2.gz HPICRXFFZSBXFT-SNVBAGLBSA-N 1 3 193.294 1.404 10 0 ADAEHO C[C@@H](C[NH2+][C@H](C)C1CNC1)C1CCC1 686252141 573991132 /nfs/dbraw/zinc/99/11/32/573991132.db2.gz DVHFZXVWFOTGMI-VHSXEESVSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](N)c1ccc(C)cc1 259262080 573991223 /nfs/dbraw/zinc/99/12/23/573991223.db2.gz GVHVPBWAJRKNQK-JQWIXIFHSA-N 1 3 192.306 1.980 10 0 ADAEHO C1=CC[C@@H]([NH2+]C[C@H]2CCCNC2)CC1 87647545 573991329 /nfs/dbraw/zinc/99/13/29/573991329.db2.gz ZDWQMCXBFVUKKR-NWDGAFQWSA-N 1 3 194.322 1.684 10 0 ADAEHO C1CC(C[NH2+]C[C@@H]2CCCNC2)C1 87646327 573991384 /nfs/dbraw/zinc/99/13/84/573991384.db2.gz AILRPLREZRDLCR-LLVKDONJSA-N 1 3 182.311 1.376 10 0 ADAEHO CN[C@@H](c1ccc[nH]1)C1(C[NH3+])CCC1 259260606 573995922 /nfs/dbraw/zinc/99/59/22/573995922.db2.gz HPICRXFFZSBXFT-JTQLQIEISA-N 1 3 193.294 1.404 10 0 ADAEHO C[NH2+][C@@H](c1ccc[nH]1)C1(CN)CCC1 259260606 573995926 /nfs/dbraw/zinc/99/59/26/573995926.db2.gz HPICRXFFZSBXFT-JTQLQIEISA-N 1 3 193.294 1.404 10 0 ADAEHO NC1CC([NH2+]C2CCCCCC2)C1 87651185 573995952 /nfs/dbraw/zinc/99/59/52/573995952.db2.gz POTHIZPMSQZLSP-UHFFFAOYSA-N 1 3 182.311 1.789 10 0 ADAEHO CC1(C)CCC[C@@H]1[NH2+]C1CC(N)C1 87652155 573995347 /nfs/dbraw/zinc/99/53/47/573995347.db2.gz ICMYSNKZCIEODF-RTBKNWGFSA-N 1 3 182.311 1.644 10 0 ADAEHO CC1(C[NH2+]C2CC(N)C2)CCCC1 87651954 573995415 /nfs/dbraw/zinc/99/54/15/573995415.db2.gz WIRLKHYPJKLMGQ-UHFFFAOYSA-N 1 3 182.311 1.646 10 0 ADAEHO CC1(CNC2CC([NH3+])C2)CCCC1 87651954 573995418 /nfs/dbraw/zinc/99/54/18/573995418.db2.gz WIRLKHYPJKLMGQ-UHFFFAOYSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)[C@@H]1C 87652050 573995528 /nfs/dbraw/zinc/99/55/28/573995528.db2.gz CXDCRTBLGPXLAC-PSEORLGDSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+]C2CC(N)C2)CC[C@H]1C 87652031 573995556 /nfs/dbraw/zinc/99/55/56/573995556.db2.gz BCSSDEZPWYPUSH-UREMCVEQSA-N 1 3 196.338 1.890 10 0 ADAEHO C[NH2+]C[C@@H]1CC[C@H]1N(C)C1CCC1 127911241 573995692 /nfs/dbraw/zinc/99/56/92/573995692.db2.gz GGPKOAXTWLNYTF-GXSJLCMTSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH2+]C2CC(N)C2)C1 87651325 573995734 /nfs/dbraw/zinc/99/57/34/573995734.db2.gz OUZXIFGVJNIIGP-BZCXBAJXSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H]1CCC[C@H]1[NH2+]C1CC(N)C1 87651934 573995799 /nfs/dbraw/zinc/99/57/99/573995799.db2.gz QDILKDNDBMGHFM-SEZDTBSWSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)CCCN(C2CC([NH3+])C2)C1 87653576 574001139 /nfs/dbraw/zinc/00/11/39/574001139.db2.gz KJJIHJBFESVCCY-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCN(C2CC([NH3+])C2)CC1 87653496 574001184 /nfs/dbraw/zinc/00/11/84/574001184.db2.gz WXVPULZAARNZIR-UHFFFAOYSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@H]1CCCCN1C1CC([NH3+])C1 87653190 574001319 /nfs/dbraw/zinc/00/13/19/574001319.db2.gz AVMDXVLHGTZBOX-YVNMAJEFSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](c1cc[nH]c1)N(C)C 259264545 574001327 /nfs/dbraw/zinc/00/13/27/574001327.db2.gz BUOVWWRLBLFKMR-GXSJLCMTSA-N 1 3 195.310 1.602 10 0 ADAEHO CCC[C@@H](CCNC)[NH+]1CCCC1 82291801 574001396 /nfs/dbraw/zinc/00/13/96/574001396.db2.gz GOHFYFXLCFCYGN-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@@H]1CCCN(C2CC([NH3+])C2)C1 87653254 574001408 /nfs/dbraw/zinc/00/14/08/574001408.db2.gz UFLNXTLCBPAAAC-KPPDAEKUSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@H](CC[NH2+]C)N(C)C 82291690 574001490 /nfs/dbraw/zinc/00/14/90/574001490.db2.gz KSQPNUQFXJPJRA-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CCC[C@H](CCNC)[NH+](C)C 82291690 574001492 /nfs/dbraw/zinc/00/14/92/574001492.db2.gz KSQPNUQFXJPJRA-SECBINFHSA-N 1 3 158.289 1.326 10 0 ADAEHO CC1(C)C[C@@H](N)[C@@H]([NH3+])C(C)(C)C1 238238518 574001512 /nfs/dbraw/zinc/00/15/12/574001512.db2.gz PDGZSEPWDXNGJA-HTQZYQBOSA-N 1 3 170.300 1.487 10 0 ADAEHO C[C@H]1CCCN(C2CC([NH3+])C2)[C@@H]1C 87653471 574001554 /nfs/dbraw/zinc/00/15/54/574001554.db2.gz JIJIVXKFIGKKRC-IZUQBHJASA-N 1 3 182.311 1.597 10 0 ADAEHO CN(C1CCCCC1)C1CC([NH3+])C1 87653145 574001660 /nfs/dbraw/zinc/00/16/60/574001660.db2.gz XSXXOTABSVBXOH-UHFFFAOYSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[NH2+]C[C@H](NC)C1CCCCC1 259270586 574005666 /nfs/dbraw/zinc/00/56/66/574005666.db2.gz HZCLLUUQMUPEJZ-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1C1(N)CCCC1 258199517 574005934 /nfs/dbraw/zinc/00/59/34/574005934.db2.gz ZDKRFQIDKHJDHJ-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1C1(N)CCCC1 258199517 574005937 /nfs/dbraw/zinc/00/59/37/574005937.db2.gz ZDKRFQIDKHJDHJ-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CCC[N@@H+]1CCCNCCC1(C)C 259272264 574007567 /nfs/dbraw/zinc/00/75/67/574007567.db2.gz GDIMPPDDKPIWFD-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@H+]1CCCNCCC1(C)C 259272264 574007571 /nfs/dbraw/zinc/00/75/71/574007571.db2.gz GDIMPPDDKPIWFD-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CC1(C)[C@H]2CC[C@]1(CN)[C@@H]([NH3+])C2 238246595 574008530 /nfs/dbraw/zinc/00/85/30/574008530.db2.gz OGUVVAMKVIAWMN-NRPADANISA-N 1 3 168.284 1.099 10 0 ADAEHO CC[C@@H](CN)[C@@H](CC(C)C)[NH2+]C 259278552 574023603 /nfs/dbraw/zinc/02/36/03/574023603.db2.gz PEZDSVOFGDVDLD-VHSXEESVSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@H](CN)[C@@H](CC(C)C)[NH2+]C 259278545 574023641 /nfs/dbraw/zinc/02/36/41/574023641.db2.gz PEZDSVOFGDVDLD-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO C1CCC(C[NH2+]CC2CNC2)CC1 259033026 574023685 /nfs/dbraw/zinc/02/36/85/574023685.db2.gz ZURCDRWARGAMKS-UHFFFAOYSA-N 1 3 182.311 1.376 10 0 ADAEHO CC[C@@H](CN)[C@H](CC(C)C)[NH2+]C 259278549 574023796 /nfs/dbraw/zinc/02/37/96/574023796.db2.gz PEZDSVOFGDVDLD-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)CN1C2CC(C2)[C@@H]1C[NH3+] 258524293 574023849 /nfs/dbraw/zinc/02/38/49/574023849.db2.gz MRSYVNGZRXMJIW-RTBKNWGFSA-N 1 3 168.284 1.064 10 0 ADAEHO CC(C)CN1C2CC(C2)[C@H]1C[NH3+] 258524295 574023959 /nfs/dbraw/zinc/02/39/59/574023959.db2.gz MRSYVNGZRXMJIW-UDNWOFFPSA-N 1 3 168.284 1.064 10 0 ADAEHO CN[C@H](c1ccc(F)cc1)[C@H](C)C[NH3+] 259277127 574024005 /nfs/dbraw/zinc/02/40/05/574024005.db2.gz HHTDBGUASQSIJP-KCJUWKMLSA-N 1 3 196.269 1.681 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H](N)C1CCCC1 259289548 574034304 /nfs/dbraw/zinc/03/43/04/574034304.db2.gz HSVVADFGWNFEIX-NWDGAFQWSA-N 1 3 198.354 1.996 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]([NH3+])C1CCCC1 259289548 574034306 /nfs/dbraw/zinc/03/43/06/574034306.db2.gz HSVVADFGWNFEIX-NWDGAFQWSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)[C@H](CN)[C@H]([NH3+])C1CCC1 259289483 574034330 /nfs/dbraw/zinc/03/43/30/574034330.db2.gz HRSRRSKVMGDOOX-VHSXEESVSA-N 1 3 170.300 1.345 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@H](N)C1CCCC1 259289551 574034605 /nfs/dbraw/zinc/03/46/05/574034605.db2.gz HSVVADFGWNFEIX-VXGBXAGGSA-N 1 3 198.354 1.996 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]([NH3+])C1CCCC1 259289551 574034606 /nfs/dbraw/zinc/03/46/06/574034606.db2.gz HSVVADFGWNFEIX-VXGBXAGGSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC[C@H]1CC[NH2+]C1 716978048 574039993 /nfs/dbraw/zinc/03/99/93/574039993.db2.gz OABWUCOKYMMCLP-YBXAARCKSA-N 1 3 194.322 1.230 10 0 ADAEHO C[NH2+]C[C@H]1CN(C2CC2)CCC1(C)C 259292862 574039734 /nfs/dbraw/zinc/03/97/34/574039734.db2.gz PDQSVWMBMBGYED-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO CN(CCCCC[NH3+])Cc1ccoc1 49580776 574045127 /nfs/dbraw/zinc/04/51/27/574045127.db2.gz YELFJQXTQAHIJZ-UHFFFAOYSA-N 1 3 196.294 1.840 10 0 ADAEHO CC[C@H](C)[NH2+]CC[C@@H](C)N 40408114 517804442 /nfs/dbraw/zinc/80/44/42/517804442.db2.gz STOQBWAIWQUVET-SFYZADRCSA-N 1 3 144.262 1.112 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@](C)([NH3+])C1CC1 45137661 518185282 /nfs/dbraw/zinc/18/52/82/518185282.db2.gz IRPLGPGPKICNHJ-ONGXEEELSA-N 1 3 182.311 1.502 10 0 ADAEHO C1CC(C[NH2+][C@@H]2CCCNCC2)C1 160661869 518398454 /nfs/dbraw/zinc/39/84/54/518398454.db2.gz GPJPSTNZEHYCTN-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 132819255 519738958 /nfs/dbraw/zinc/73/89/58/519738958.db2.gz BYUNPTNFPBXCMF-QWRGUYRKSA-N 1 3 184.327 1.857 10 0 ADAEHO CCCN1CC[C@H]([NH2+]CC)[C@@H](C)C1 219778721 519864090 /nfs/dbraw/zinc/86/40/90/519864090.db2.gz JVXIYOBRSFYOSI-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]CC)[C@@H](C)C1 219778635 519862314 /nfs/dbraw/zinc/86/23/14/519862314.db2.gz JVXIYOBRSFYOSI-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN1CC[C@@H]([NH2+]C)[C@@H](C)C1 219778485 519862370 /nfs/dbraw/zinc/86/23/70/519862370.db2.gz NJVSPFQXNSLTQE-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)[C@@H](C)C1 219778554 519863931 /nfs/dbraw/zinc/86/39/31/519863931.db2.gz NJVSPFQXNSLTQE-UWVGGRQHSA-N 1 3 170.300 1.326 10 0 ADAEHO CCCCN1CC[C@@H]([NH2+]C)[C@@H](C)C1 219749496 520595814 /nfs/dbraw/zinc/59/58/14/520595814.db2.gz NUISPPZIGDTQAU-WDEREUQCSA-N 1 3 184.327 1.716 10 0 ADAEHO CCCCN1CC[C@H]([NH2+]C)[C@@H](C)C1 219749573 520597635 /nfs/dbraw/zinc/59/76/35/520597635.db2.gz NUISPPZIGDTQAU-QWRGUYRKSA-N 1 3 184.327 1.716 10 0 ADAEHO Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](O)C2)o1 306892696 629683916 /nfs/dbraw/zinc/68/39/16/629683916.db2.gz HKUKRDGGHLBFEL-KWQFWETISA-N 1 3 195.262 1.401 10 0 ADAEHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](O)C2)o1 306892696 629683919 /nfs/dbraw/zinc/68/39/19/629683919.db2.gz HKUKRDGGHLBFEL-KWQFWETISA-N 1 3 195.262 1.401 10 0 ADAEHO [NH3+]C[C@@H]1C[C@@H](c2ccccc2)CCN1 143831710 629728847 /nfs/dbraw/zinc/72/88/47/629728847.db2.gz JVUWQRBMHZAZRR-RYUDHWBXSA-N 1 3 190.290 1.481 10 0 ADAEHO C/C=C/C[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 307642712 629800537 /nfs/dbraw/zinc/80/05/37/629800537.db2.gz KKICZHYCEQKVHS-KEQABLDBSA-N 1 3 194.322 1.777 10 0 ADAEHO C/C=C/CNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C 307642712 629800540 /nfs/dbraw/zinc/80/05/40/629800540.db2.gz KKICZHYCEQKVHS-KEQABLDBSA-N 1 3 194.322 1.777 10 0 ADAEHO C/C=C/CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C 307642712 629800544 /nfs/dbraw/zinc/80/05/44/629800544.db2.gz KKICZHYCEQKVHS-KEQABLDBSA-N 1 3 194.322 1.777 10 0 ADAEHO CC(C)C[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 308200045 629843497 /nfs/dbraw/zinc/84/34/97/629843497.db2.gz PDJJQAPBATXKRY-OUAUKWLOSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[NH2+]CC[C@H](C)N(C)C 52422887 629934635 /nfs/dbraw/zinc/93/46/35/629934635.db2.gz CQPQIIMXAVLPIQ-VIFPVBQESA-N 1 3 158.289 1.325 10 0 ADAEHO CC(C)[NH2+]CC[C@@H](C)N(C)C 52422886 629936500 /nfs/dbraw/zinc/93/65/00/629936500.db2.gz CQPQIIMXAVLPIQ-SECBINFHSA-N 1 3 158.289 1.325 10 0 ADAEHO C[NH2+][C@@H]1CCN(CC(C)C)C[C@@H]1C 219776900 522396462 /nfs/dbraw/zinc/39/64/62/522396462.db2.gz JZXRKTDYCWWMAX-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@H]1CN(c2ccncc2)CC[NH2+]1 83341685 523305468 /nfs/dbraw/zinc/30/54/68/523305468.db2.gz MIUQLGRYUWBJQO-JTQLQIEISA-N 1 3 191.278 1.270 10 0 ADAEHO CC[C@H]1C[NH2+]CCN1c1ccncc1 82476654 523322716 /nfs/dbraw/zinc/32/27/16/523322716.db2.gz GFYYOSFBPLJAQG-JTQLQIEISA-N 1 3 191.278 1.270 10 0 ADAEHO CC[C@@H]1CN(c2ccncc2)CC[NH2+]1 83341684 523472122 /nfs/dbraw/zinc/47/21/22/523472122.db2.gz MIUQLGRYUWBJQO-SNVBAGLBSA-N 1 3 191.278 1.270 10 0 ADAEHO CC[C@@H]1C[NH2+]CCN1c1ccncc1 82476653 523488042 /nfs/dbraw/zinc/48/80/42/523488042.db2.gz GFYYOSFBPLJAQG-SNVBAGLBSA-N 1 3 191.278 1.270 10 0 ADAEHO CC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 931435240 630043545 /nfs/dbraw/zinc/04/35/45/630043545.db2.gz ANBGTQHAGDPOLX-GRYCIOLGSA-N 1 3 196.338 1.668 10 0 ADAEHO CC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 931435240 630043546 /nfs/dbraw/zinc/04/35/46/630043546.db2.gz ANBGTQHAGDPOLX-GRYCIOLGSA-N 1 3 196.338 1.668 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 931435242 630043783 /nfs/dbraw/zinc/04/37/83/630043783.db2.gz ANBGTQHAGDPOLX-SDDRHHMPSA-N 1 3 196.338 1.668 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 931435242 630043794 /nfs/dbraw/zinc/04/37/94/630043794.db2.gz ANBGTQHAGDPOLX-SDDRHHMPSA-N 1 3 196.338 1.668 10 0 ADAEHO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCNCC1 335453899 630045019 /nfs/dbraw/zinc/04/50/19/630045019.db2.gz XGSCSVIIWWXDKU-NWDGAFQWSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCNCC1 335453900 630045029 /nfs/dbraw/zinc/04/50/29/630045029.db2.gz XGSCSVIIWWXDKU-RYUDHWBXSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCNCC1 335453901 630045344 /nfs/dbraw/zinc/04/53/44/630045344.db2.gz XGSCSVIIWWXDKU-VXGBXAGGSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCNCC1 335453898 630045423 /nfs/dbraw/zinc/04/54/23/630045423.db2.gz XGSCSVIIWWXDKU-NEPJUHHUSA-N 1 3 196.338 1.763 10 0 ADAEHO CCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 223100736 630057298 /nfs/dbraw/zinc/05/72/98/630057298.db2.gz NXZGXFYSTQLRNB-ZJUUUORDSA-N 1 3 168.284 1.032 10 0 ADAEHO CCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 223100736 630057304 /nfs/dbraw/zinc/05/73/04/630057304.db2.gz NXZGXFYSTQLRNB-ZJUUUORDSA-N 1 3 168.284 1.032 10 0 ADAEHO C[C@@H]([NH2+]C[C@@]12CCC[C@@H]1C2)C1CNC1 925882215 630066684 /nfs/dbraw/zinc/06/66/84/630066684.db2.gz ZPDLKSWYTVTOSA-JLLWLGSASA-N 1 3 194.322 1.374 10 0 ADAEHO CC(C)CCN1C[C@@H]([NH3+])C(C)(C)C1 307567724 630172232 /nfs/dbraw/zinc/17/22/32/630172232.db2.gz RDXDNVXHHYMXTQ-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)CCN1C[C@H]([NH3+])C(C)(C)C1 307567723 630172414 /nfs/dbraw/zinc/17/24/14/630172414.db2.gz RDXDNVXHHYMXTQ-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CC[N@H+](CCCN)C[C@H](C)C1 334865522 630204365 /nfs/dbraw/zinc/20/43/65/630204365.db2.gz UTEZLSMTTOSFPB-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCN)C[C@H](C)C1 334865522 630204388 /nfs/dbraw/zinc/20/43/88/630204388.db2.gz UTEZLSMTTOSFPB-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO [NH3+]C[C@H]1C[C@H](c2ccccc2)CCN1 143831496 630249788 /nfs/dbraw/zinc/24/97/88/630249788.db2.gz JVUWQRBMHZAZRR-VXGBXAGGSA-N 1 3 190.290 1.481 10 0 ADAEHO [NH3+]C[C@H]1C[C@@H](c2ccccc2)CCN1 143831917 630249867 /nfs/dbraw/zinc/24/98/67/630249867.db2.gz JVUWQRBMHZAZRR-NWDGAFQWSA-N 1 3 190.290 1.481 10 0 ADAEHO [NH3+]C[C@@H]1C[C@H](c2ccccc2)CCN1 143831276 630249963 /nfs/dbraw/zinc/24/99/63/630249963.db2.gz JVUWQRBMHZAZRR-NEPJUHHUSA-N 1 3 190.290 1.481 10 0 ADAEHO C[C@H]1CCC[C@H]1C[NH2+]C1CCNCC1 230666477 524217690 /nfs/dbraw/zinc/21/76/90/524217690.db2.gz GQNUMAHDHHBZGJ-QWRGUYRKSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@@H]1CC[N@H+](CCCNC2CC2)C1 166067507 630759112 /nfs/dbraw/zinc/75/91/12/630759112.db2.gz DPRPREMOSSAIGQ-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CCCNC2CC2)C1 166067507 630759119 /nfs/dbraw/zinc/75/91/19/630759119.db2.gz DPRPREMOSSAIGQ-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@H+](CCCNC2CC2)C1 166067630 630760721 /nfs/dbraw/zinc/76/07/21/630760721.db2.gz DPRPREMOSSAIGQ-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@H]1CC[N@@H+](CCCNC2CC2)C1 166067630 630760723 /nfs/dbraw/zinc/76/07/23/630760723.db2.gz DPRPREMOSSAIGQ-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CCCCN(C)C[C@@H]1C[NH2+]C[C@H]1C 232966561 630776955 /nfs/dbraw/zinc/77/69/55/630776955.db2.gz BTKNMJCJJAKNFA-MNOVXSKESA-N 1 3 184.327 1.574 10 0 ADAEHO CC1(C[NH2+]C2CC(N)C2)CCC1 232846789 630779745 /nfs/dbraw/zinc/77/97/45/630779745.db2.gz KFJLANNDYBOHMW-UHFFFAOYSA-N 1 3 168.284 1.256 10 0 ADAEHO CCCN(C)C[C@@H]1C[NH2+]C[C@H]1C 233032104 630824413 /nfs/dbraw/zinc/82/44/13/630824413.db2.gz XRDUHXBOVFBBAV-ZJUUUORDSA-N 1 3 170.300 1.184 10 0 ADAEHO [NH3+]C[C@@H]1CNC[C@H](c2ccccc2)C1 238805118 630833629 /nfs/dbraw/zinc/83/36/29/630833629.db2.gz UCIHGGPTURXIQR-ZYHUDNBSSA-N 1 3 190.290 1.338 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 238805118 630833631 /nfs/dbraw/zinc/83/36/31/630833631.db2.gz UCIHGGPTURXIQR-ZYHUDNBSSA-N 1 3 190.290 1.338 10 0 ADAEHO C1=C[C@@H](NC[C@H]2CCC[NH2+]C2)CC1 700569382 630880525 /nfs/dbraw/zinc/88/05/25/630880525.db2.gz SFDYMGAGVHUHGV-WDEREUQCSA-N 1 3 180.295 1.294 10 0 ADAEHO C1=C[C@H](NC[C@H]2CCC[NH2+]C2)CC1 700569381 630881250 /nfs/dbraw/zinc/88/12/50/630881250.db2.gz SFDYMGAGVHUHGV-QWRGUYRKSA-N 1 3 180.295 1.294 10 0 ADAEHO C1=C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC1 700569379 630881650 /nfs/dbraw/zinc/88/16/50/630881650.db2.gz SFDYMGAGVHUHGV-GHMZBOCLSA-N 1 3 180.295 1.294 10 0 ADAEHO C1=C[C@H](NC[C@@H]2CCC[NH2+]C2)CC1 700569380 630882685 /nfs/dbraw/zinc/88/26/85/630882685.db2.gz SFDYMGAGVHUHGV-MNOVXSKESA-N 1 3 180.295 1.294 10 0 ADAEHO CCN(C[C@]1(C)CC[NH2+]C1)C(C)C 62911071 630885087 /nfs/dbraw/zinc/88/50/87/630885087.db2.gz ADFYDAQNRKZBCB-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(C[C@@]1(C)CC[NH2+]C1)C(C)C 62911072 630885869 /nfs/dbraw/zinc/88/58/69/630885869.db2.gz ADFYDAQNRKZBCB-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC1(C)C[C@@]1(C)C[NH2+]C1CCNCC1 701981007 630889017 /nfs/dbraw/zinc/88/90/17/630889017.db2.gz AJMFCXBOSISDSZ-LBPRGKRZSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)C[C@]1(C)C[NH2+]C1CCNCC1 701981005 630889202 /nfs/dbraw/zinc/88/92/02/630889202.db2.gz AJMFCXBOSISDSZ-GFCCVEGCSA-N 1 3 196.338 1.764 10 0 ADAEHO C1CC2(C1)NCC[C@@H]2[NH2+]CCC1CC1 923399042 630896298 /nfs/dbraw/zinc/89/62/98/630896298.db2.gz NRXNUVRCDIRWCS-NSHDSACASA-N 1 3 194.322 1.661 10 0 ADAEHO C1CC2(C1)NCC[C@H]2[NH2+]CCC1CC1 923399039 630897619 /nfs/dbraw/zinc/89/76/19/630897619.db2.gz NRXNUVRCDIRWCS-LLVKDONJSA-N 1 3 194.322 1.661 10 0 ADAEHO CC12CC(CN1CCC[NH2+]C1CC1)C2 923398995 630898360 /nfs/dbraw/zinc/89/83/60/630898360.db2.gz PHCAPIJSXQMMTI-UHFFFAOYSA-N 1 3 194.322 1.613 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@H](C)C[C@@H](C)[C@H]1CN 757212359 630933291 /nfs/dbraw/zinc/93/32/91/630933291.db2.gz IMLLBNHEYGRWOW-KKOKHZNYSA-N 1 3 198.354 1.994 10 0 ADAEHO CCCC[C@@H]1CNC[C@@H]([NH3+])C1 757212302 630933414 /nfs/dbraw/zinc/93/34/14/630933414.db2.gz HYHGIDOAFIPZPJ-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO CCCC[C@@H]1CNC[C@H]([NH3+])C1 757212301 630933569 /nfs/dbraw/zinc/93/35/69/630933569.db2.gz HYHGIDOAFIPZPJ-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO CCCC[C@H]1CNC[C@H]([NH3+])C1 757212303 630933585 /nfs/dbraw/zinc/93/35/85/630933585.db2.gz HYHGIDOAFIPZPJ-RKDXNWHRSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)C[C@@H]1[NH2+][C@H](C)C[C@H](C)[C@H]1CN 757212360 630933669 /nfs/dbraw/zinc/93/36/69/630933669.db2.gz IMLLBNHEYGRWOW-QCNOEVLYSA-N 1 3 198.354 1.994 10 0 ADAEHO CCCC[C@H]1CNC[C@@H]([NH3+])C1 757212299 630933838 /nfs/dbraw/zinc/93/38/38/630933838.db2.gz HYHGIDOAFIPZPJ-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@]1(CN[C@H]2C=CCC2)CC[NH2+]C1 849349715 630966596 /nfs/dbraw/zinc/96/65/96/630966596.db2.gz FTTUBAKXJAZOFD-WDEREUQCSA-N 1 3 180.295 1.294 10 0 ADAEHO C[C@@]1(CN[C@@H]2C=CCC2)CC[NH2+]C1 849349712 630966653 /nfs/dbraw/zinc/96/66/53/630966653.db2.gz FTTUBAKXJAZOFD-GHMZBOCLSA-N 1 3 180.295 1.294 10 0 ADAEHO C[C@]1(CN[C@@H]2C=CCC2)CC[NH2+]C1 849349713 630968048 /nfs/dbraw/zinc/96/80/48/630968048.db2.gz FTTUBAKXJAZOFD-MNOVXSKESA-N 1 3 180.295 1.294 10 0 ADAEHO C[C@]1(CN[C@H]2C=CCC2)CC[NH2+]C1 849349714 630968255 /nfs/dbraw/zinc/96/82/55/630968255.db2.gz FTTUBAKXJAZOFD-QWRGUYRKSA-N 1 3 180.295 1.294 10 0 ADAEHO C[C@H]1CN(c2ccncc2)[C@@H](C)C[NH2+]1 83119062 524672497 /nfs/dbraw/zinc/67/24/97/524672497.db2.gz VRWSQHAAKQKDAD-UWVGGRQHSA-N 1 3 191.278 1.268 10 0 ADAEHO CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C 925492385 631043522 /nfs/dbraw/zinc/04/35/22/631043522.db2.gz XSQIBPSIMRQACO-DCAQKATOSA-N 1 3 196.338 1.763 10 0 ADAEHO CC1(C)[C@@H](NC2CC2)[C@@H]2CCC[NH2+][C@@H]21 925491545 631043671 /nfs/dbraw/zinc/04/36/71/631043671.db2.gz DHIKOGOFSZRKGC-VWYCJHECSA-N 1 3 194.322 1.515 10 0 ADAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CC1 925491545 631043672 /nfs/dbraw/zinc/04/36/72/631043672.db2.gz DHIKOGOFSZRKGC-VWYCJHECSA-N 1 3 194.322 1.515 10 0 ADAEHO CC1(C)[C@H]2[NH2+]CCC[C@H]2[C@H]1NC1CC1 925491542 631044157 /nfs/dbraw/zinc/04/41/57/631044157.db2.gz DHIKOGOFSZRKGC-OUAUKWLOSA-N 1 3 194.322 1.515 10 0 ADAEHO CC1(C)[C@H]2NCCC[C@H]2[C@H]1[NH2+]C1CC1 925491542 631044160 /nfs/dbraw/zinc/04/41/60/631044160.db2.gz DHIKOGOFSZRKGC-OUAUKWLOSA-N 1 3 194.322 1.515 10 0 ADAEHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C 925782458 631051577 /nfs/dbraw/zinc/05/15/77/631051577.db2.gz KAQITGQANJDTLU-DDHJBXDOSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C 925782460 631051804 /nfs/dbraw/zinc/05/18/04/631051804.db2.gz KAQITGQANJDTLU-NOOOWODRSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)C(C)C 925787532 631052704 /nfs/dbraw/zinc/05/27/04/631052704.db2.gz UUYINGSPMMNOGT-OUAUKWLOSA-N 1 3 184.327 1.619 10 0 ADAEHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C 925782463 631052913 /nfs/dbraw/zinc/05/29/13/631052913.db2.gz KAQITGQANJDTLU-WISYIIOYSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 925787528 631053349 /nfs/dbraw/zinc/05/33/49/631053349.db2.gz UTSZSWKRXVMFAB-DVVUODLYSA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)C1CC1 925784490 631053380 /nfs/dbraw/zinc/05/33/80/631053380.db2.gz QZWHVFZYEPKXBK-YUSALJHKSA-N 1 3 196.338 1.619 10 0 ADAEHO CC(C)[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 925784490 631053386 /nfs/dbraw/zinc/05/33/86/631053386.db2.gz QZWHVFZYEPKXBK-YUSALJHKSA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C 925782464 631053473 /nfs/dbraw/zinc/05/34/73/631053473.db2.gz KAQITGQANJDTLU-WRWGMCAJSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C(C)C 925787531 631053603 /nfs/dbraw/zinc/05/36/03/631053603.db2.gz UUYINGSPMMNOGT-GMTAPVOTSA-N 1 3 184.327 1.619 10 0 ADAEHO CC(C)[C@H](N[C@@H]1C[NH2+]C[C@H]1C)C1CC1 925784489 631053663 /nfs/dbraw/zinc/05/36/63/631053663.db2.gz QZWHVFZYEPKXBK-JLLWLGSASA-N 1 3 196.338 1.619 10 0 ADAEHO CC(C)[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 925784489 631053668 /nfs/dbraw/zinc/05/36/68/631053668.db2.gz QZWHVFZYEPKXBK-JLLWLGSASA-N 1 3 196.338 1.619 10 0 ADAEHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCC1 925782389 631053884 /nfs/dbraw/zinc/05/38/84/631053884.db2.gz FXKDKDHODONNPB-YUSALJHKSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCCC1 925787870 631054099 /nfs/dbraw/zinc/05/40/99/631054099.db2.gz WAJRPUAWLAGOMU-JFGNBEQYSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCCC1 925787869 631054293 /nfs/dbraw/zinc/05/42/93/631054293.db2.gz WAJRPUAWLAGOMU-CKYFFXLPSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 925787529 631054764 /nfs/dbraw/zinc/05/47/64/631054764.db2.gz UTSZSWKRXVMFAB-FBIMIBRVSA-N 1 3 182.311 1.373 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCC1 925782387 631055036 /nfs/dbraw/zinc/05/50/36/631055036.db2.gz FXKDKDHODONNPB-ADEWGFFLSA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)[NH+]1CCC(C)(N(C)C)CC1 931350020 631121543 /nfs/dbraw/zinc/12/15/43/631121543.db2.gz PXWMUTDIPWHLRF-UHFFFAOYSA-N 1 3 184.327 1.811 10 0 ADAEHO CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 931305633 631122038 /nfs/dbraw/zinc/12/20/38/631122038.db2.gz FVQFXPFLYRITCJ-QWRGUYRKSA-N 1 3 182.311 1.280 10 0 ADAEHO CN(C)C1(C)CC[NH+](CC2CC2)CC1 931352771 631122660 /nfs/dbraw/zinc/12/26/60/631122660.db2.gz FUIZKJSLDCTORL-UHFFFAOYSA-N 1 3 196.338 1.813 10 0 ADAEHO CCC[NH+]1CCC(C)(N(C)C)CC1 931350236 631122703 /nfs/dbraw/zinc/12/27/03/631122703.db2.gz FXHCLIPKJGURGX-UHFFFAOYSA-N 1 3 184.327 1.813 10 0 ADAEHO CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 931305631 631122752 /nfs/dbraw/zinc/12/27/52/631122752.db2.gz FVQFXPFLYRITCJ-GHMZBOCLSA-N 1 3 182.311 1.280 10 0 ADAEHO CCN1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 931305632 631123165 /nfs/dbraw/zinc/12/31/65/631123165.db2.gz FVQFXPFLYRITCJ-PHIMTYICSA-N 1 3 182.311 1.280 10 0 ADAEHO CCN1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 931305632 631123166 /nfs/dbraw/zinc/12/31/66/631123166.db2.gz FVQFXPFLYRITCJ-PHIMTYICSA-N 1 3 182.311 1.280 10 0 ADAEHO C[C@@H]1CN(c2ccncc2)[C@H](C)C[NH2+]1 83119059 525071578 /nfs/dbraw/zinc/07/15/78/525071578.db2.gz VRWSQHAAKQKDAD-NXEZZACHSA-N 1 3 191.278 1.268 10 0 ADAEHO C[C@H]1C[NH2+][C@H](C)CN1c1ccncc1 83119060 525072688 /nfs/dbraw/zinc/07/26/88/525072688.db2.gz VRWSQHAAKQKDAD-ZJUUUORDSA-N 1 3 191.278 1.268 10 0 ADAEHO C[C@H]1CN(c2ccncc2)[C@H](C)C[NH2+]1 83119061 525107384 /nfs/dbraw/zinc/10/73/84/525107384.db2.gz VRWSQHAAKQKDAD-VHSXEESVSA-N 1 3 191.278 1.268 10 0 ADAEHO C1C[C@H]2C[NH+](C3CCNCC3)C[C@@H]2C1 126249924 1224183458 /nfs/dbraw/zinc/18/34/58/1224183458.db2.gz LSOPCLMBFYYKBA-QWRGUYRKSA-N 1 3 194.322 1.470 10 0 ADAEHO C1C[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]2C1 126249808 1224183486 /nfs/dbraw/zinc/18/34/86/1224183486.db2.gz LSOPCLMBFYYKBA-PHIMTYICSA-N 1 3 194.322 1.470 10 0 ADAEHO C1C[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]2C1 126249808 1224183491 /nfs/dbraw/zinc/18/34/91/1224183491.db2.gz LSOPCLMBFYYKBA-PHIMTYICSA-N 1 3 194.322 1.470 10 0 ADAEHO C1C[C@@H]2C[NH+](C3CCNCC3)C[C@H]2C1 126250111 1224183537 /nfs/dbraw/zinc/18/35/37/1224183537.db2.gz LSOPCLMBFYYKBA-GHMZBOCLSA-N 1 3 194.322 1.470 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C)NC2)C1 166271288 1224197641 /nfs/dbraw/zinc/19/76/41/1224197641.db2.gz XQOHDHVXNWURAQ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)NC2)C1 166271288 1224197645 /nfs/dbraw/zinc/19/76/45/1224197645.db2.gz XQOHDHVXNWURAQ-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C1CNC[C@H]([N@@H+]2CC3CCC2CC3)C1 306185092 1224245796 /nfs/dbraw/zinc/24/57/96/1224245796.db2.gz MDKSLADPJOFTEL-HTAVTVPLSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CNC[C@H]([N@H+]2CC3CCC2CC3)C1 306185092 1224245804 /nfs/dbraw/zinc/24/58/04/1224245804.db2.gz MDKSLADPJOFTEL-HTAVTVPLSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CNC[C@@H]([N@@H+]2CC3CCC2CC3)C1 306185093 1224246222 /nfs/dbraw/zinc/24/62/22/1224246222.db2.gz MDKSLADPJOFTEL-MCIGGMRASA-N 1 3 194.322 1.613 10 0 ADAEHO C1CNC[C@@H]([N@H+]2CC3CCC2CC3)C1 306185093 1224246231 /nfs/dbraw/zinc/24/62/31/1224246231.db2.gz MDKSLADPJOFTEL-MCIGGMRASA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1[C@H]([NH3+])CCN1CCC1CC1 306656232 1224271931 /nfs/dbraw/zinc/27/19/31/1224271931.db2.gz JCNMVFYSJXSDSR-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](CC1CC1)[NH+]1CCC(C)(N)CC1 307145390 1224278254 /nfs/dbraw/zinc/27/82/54/1224278254.db2.gz MPRDOYXULJJEDY-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](CC1CC1)[NH+]1CCC(C)(N)CC1 307145389 1224278293 /nfs/dbraw/zinc/27/82/93/1224278293.db2.gz MPRDOYXULJJEDY-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)CC[N@@H+]1CCC[C@H](N)CC1 307150762 1224278869 /nfs/dbraw/zinc/27/88/69/1224278869.db2.gz UMWGWKGJDVMZOX-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[N@H+]1CCC[C@H](N)CC1 307150762 1224278878 /nfs/dbraw/zinc/27/88/78/1224278878.db2.gz UMWGWKGJDVMZOX-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[N@H+]1CCC[C@@H](N)CC1 307150761 1224278994 /nfs/dbraw/zinc/27/89/94/1224278994.db2.gz UMWGWKGJDVMZOX-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[N@@H+]1CCC[C@@H](N)CC1 307150761 1224278988 /nfs/dbraw/zinc/27/89/88/1224278988.db2.gz UMWGWKGJDVMZOX-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC(CC)[N@@H+]1CCC[C@H](N)CC1 307346778 1224283185 /nfs/dbraw/zinc/28/31/85/1224283185.db2.gz MGXUOVCUASUPTB-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC(CC)[N@H+]1CCC[C@H](N)CC1 307346778 1224283193 /nfs/dbraw/zinc/28/31/93/1224283193.db2.gz MGXUOVCUASUPTB-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC(CC)[N@@H+]1CCC[C@@H](N)CC1 307346779 1224283376 /nfs/dbraw/zinc/28/33/76/1224283376.db2.gz MGXUOVCUASUPTB-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC(CC)[N@H+]1CCC[C@@H](N)CC1 307346779 1224283386 /nfs/dbraw/zinc/28/33/86/1224283386.db2.gz MGXUOVCUASUPTB-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCCC[N@@H+]1CCC[C@@H](N)CC1 393211783 1224333361 /nfs/dbraw/zinc/33/33/61/1224333361.db2.gz JEGCNLLHZSREGR-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@H+]1CCC[C@@H](N)CC1 393211783 1224333374 /nfs/dbraw/zinc/33/33/74/1224333374.db2.gz JEGCNLLHZSREGR-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@@H+]1CCC[C@H](N)CC1 393211784 1224333678 /nfs/dbraw/zinc/33/36/78/1224333678.db2.gz JEGCNLLHZSREGR-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCC[N@H+]1CCC[C@H](N)CC1 393211784 1224333689 /nfs/dbraw/zinc/33/36/89/1224333689.db2.gz JEGCNLLHZSREGR-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO C[NH2+][C@@H]1CCCN(c2ccncc2)C1 53204764 536366064 /nfs/dbraw/zinc/36/60/64/536366064.db2.gz IBYAIMGTMYDPHG-SNVBAGLBSA-N 1 3 191.278 1.270 10 0 ADAEHO C[NH2+][C@H]1CCCN(c2ccncc2)C1 53204765 536415196 /nfs/dbraw/zinc/41/51/96/536415196.db2.gz IBYAIMGTMYDPHG-JTQLQIEISA-N 1 3 191.278 1.270 10 0 ADAEHO Cc1c(C2CC2)n[nH]c1C[NH3+] 18590176 537777689 /nfs/dbraw/zinc/77/76/89/537777689.db2.gz HIUVDMNXSMLQAC-UHFFFAOYSA-N 1 3 151.213 1.054 10 0 ADAEHO CC1(CC2=C[C@@H]([NH3+])CNC2)CCCC1 675076287 537792907 /nfs/dbraw/zinc/79/29/07/537792907.db2.gz AJTTYMUTDYSYIU-LLVKDONJSA-N 1 3 194.322 1.814 10 0 ADAEHO C1CC(NC[C@H]2C[NH2+]CC23CC3)C1 675075435 537793868 /nfs/dbraw/zinc/79/38/68/537793868.db2.gz OOSPIKVVQARCFS-SECBINFHSA-N 1 3 180.295 1.128 10 0 ADAEHO CC1(CC2=C[C@H]([NH3+])CNC2)CCCC1 675076289 537794281 /nfs/dbraw/zinc/79/42/81/537794281.db2.gz AJTTYMUTDYSYIU-NSHDSACASA-N 1 3 194.322 1.814 10 0 ADAEHO C1CC(NC[C@@H]2C[NH2+]CC23CC3)C1 675075437 537794679 /nfs/dbraw/zinc/79/46/79/537794679.db2.gz OOSPIKVVQARCFS-VIFPVBQESA-N 1 3 180.295 1.128 10 0 ADAEHO [NH3+][C@H]1C=C(C2CCCCC2)CNC1 675077580 537796162 /nfs/dbraw/zinc/79/61/62/537796162.db2.gz OLUQIAAUNUHYPD-NSHDSACASA-N 1 3 180.295 1.424 10 0 ADAEHO CC(C)=CCCC1=C[C@@H]([NH3+])CNC1 675077450 537796266 /nfs/dbraw/zinc/79/62/66/537796266.db2.gz FCHZPKUUDGINLO-LLVKDONJSA-N 1 3 180.295 1.590 10 0 ADAEHO CC[C@H](C)[C@@H](C)C1=C[C@@H]([NH3+])CNC1 675077502 537796430 /nfs/dbraw/zinc/79/64/30/537796430.db2.gz FSEMRSBONMSGJU-IQJOONFLSA-N 1 3 182.311 1.526 10 0 ADAEHO CC(C)(C)CCC1=C[C@@H]([NH3+])CNC1 675077822 537796557 /nfs/dbraw/zinc/79/65/57/537796557.db2.gz JAQWAFMZBDNDOC-SNVBAGLBSA-N 1 3 182.311 1.670 10 0 ADAEHO CCC(C)(CC)C1=C[C@H]([NH3+])CNC1 675077203 537796622 /nfs/dbraw/zinc/79/66/22/537796622.db2.gz APODKVXSDFVVNN-JTQLQIEISA-N 1 3 182.311 1.670 10 0 ADAEHO [NH3+][C@H]1C=C(C[C@@H]2CC=CCC2)CNC1 675077395 537796703 /nfs/dbraw/zinc/79/67/03/537796703.db2.gz DGBJDTNAQLMZFT-PWSUYJOCSA-N 1 3 192.306 1.590 10 0 ADAEHO [NH3+][C@@H]1C=C(C2CCCCC2)CNC1 675077578 537796726 /nfs/dbraw/zinc/79/67/26/537796726.db2.gz OLUQIAAUNUHYPD-LLVKDONJSA-N 1 3 180.295 1.424 10 0 ADAEHO CC[C@@H](C)CC1=C[C@H]([NH3+])CNC1 675078058 537796769 /nfs/dbraw/zinc/79/67/69/537796769.db2.gz LZBXVZARQVDQPG-SCZZXKLOSA-N 1 3 168.284 1.280 10 0 ADAEHO CC[C@H](C)CC1=C[C@@H]([NH3+])CNC1 675078061 537796791 /nfs/dbraw/zinc/79/67/91/537796791.db2.gz LZBXVZARQVDQPG-WCBMZHEXSA-N 1 3 168.284 1.280 10 0 ADAEHO CC[C@H](C)[C@H](C)C1=C[C@@H]([NH3+])CNC1 675077501 537796861 /nfs/dbraw/zinc/79/68/61/537796861.db2.gz FSEMRSBONMSGJU-ATZCPNFKSA-N 1 3 182.311 1.526 10 0 ADAEHO [NH3+][C@@H]1C=C(C[C@@H]2CC=CCC2)CNC1 675077396 537796955 /nfs/dbraw/zinc/79/69/55/537796955.db2.gz DGBJDTNAQLMZFT-ZYHUDNBSSA-N 1 3 192.306 1.590 10 0 ADAEHO CCC(CC)C1=C[C@@H]([NH3+])CNC1 675077945 537797183 /nfs/dbraw/zinc/79/71/83/537797183.db2.gz KJODXZBTZIXZLD-SNVBAGLBSA-N 1 3 168.284 1.280 10 0 ADAEHO [NH3+][C@H]1C=C(CC2=CCCC2)CNC1 675077417 537797211 /nfs/dbraw/zinc/79/72/11/537797211.db2.gz DWELAMSLFJCGCE-NSHDSACASA-N 1 3 178.279 1.344 10 0 ADAEHO CC1CCC(C2=C[C@H]([NH3+])CNC2)CC1 675077322 537797254 /nfs/dbraw/zinc/79/72/54/537797254.db2.gz CIEUJJCJZUJXHG-CBINBANVSA-N 1 3 194.322 1.670 10 0 ADAEHO CCC(C)(CC)C1=C[C@@H]([NH3+])CNC1 675077204 537797540 /nfs/dbraw/zinc/79/75/40/537797540.db2.gz APODKVXSDFVVNN-SNVBAGLBSA-N 1 3 182.311 1.670 10 0 ADAEHO CC[C@H](C)[C@@H](C)C1=C[C@H]([NH3+])CNC1 675077504 537797763 /nfs/dbraw/zinc/79/77/63/537797763.db2.gz FSEMRSBONMSGJU-NGZCFLSTSA-N 1 3 182.311 1.526 10 0 ADAEHO CC(C)(C)CC1=C[C@H]([NH3+])CNC1 675077476 537797854 /nfs/dbraw/zinc/79/78/54/537797854.db2.gz FKBYJYZJYDQGTH-VIFPVBQESA-N 1 3 168.284 1.280 10 0 ADAEHO [NH3+][C@H]1C=C(C[C@H]2CC=CCC2)CNC1 675077394 537798081 /nfs/dbraw/zinc/79/80/81/537798081.db2.gz DGBJDTNAQLMZFT-JQWIXIFHSA-N 1 3 192.306 1.590 10 0 ADAEHO CC[C@@H](C)CC1=C[C@@H]([NH3+])CNC1 675078055 537798128 /nfs/dbraw/zinc/79/81/28/537798128.db2.gz LZBXVZARQVDQPG-PSASIEDQSA-N 1 3 168.284 1.280 10 0 ADAEHO CC(C)(C)CC1=C[C@@H]([NH3+])CNC1 675077475 537798399 /nfs/dbraw/zinc/79/83/99/537798399.db2.gz FKBYJYZJYDQGTH-SECBINFHSA-N 1 3 168.284 1.280 10 0 ADAEHO CC(C)=CCCC1=C[C@H]([NH3+])CNC1 675077452 537798711 /nfs/dbraw/zinc/79/87/11/537798711.db2.gz FCHZPKUUDGINLO-NSHDSACASA-N 1 3 180.295 1.590 10 0 ADAEHO CC1CCC(C2=C[C@@H]([NH3+])CNC2)CC1 675077325 537798750 /nfs/dbraw/zinc/79/87/50/537798750.db2.gz CIEUJJCJZUJXHG-RTYFJBAXSA-N 1 3 194.322 1.670 10 0 ADAEHO [NH3+][C@H]1C=C(C2CCCC2)CNC1 675077957 537798875 /nfs/dbraw/zinc/79/88/75/537798875.db2.gz KUIVGMIQCLHVBY-JTQLQIEISA-N 1 3 166.268 1.034 10 0 ADAEHO [NH3+][C@@H]1C=C(CC2=CCCC2)CNC1 675077416 537799037 /nfs/dbraw/zinc/79/90/37/537799037.db2.gz DWELAMSLFJCGCE-LLVKDONJSA-N 1 3 178.279 1.344 10 0 ADAEHO CC[C@H](C)CC1=C[C@H]([NH3+])CNC1 675078063 537799204 /nfs/dbraw/zinc/79/92/04/537799204.db2.gz LZBXVZARQVDQPG-WPRPVWTQSA-N 1 3 168.284 1.280 10 0 ADAEHO [NH3+][C@@H]1C=C(C2CCCC2)CNC1 675077958 537799685 /nfs/dbraw/zinc/79/96/85/537799685.db2.gz KUIVGMIQCLHVBY-SNVBAGLBSA-N 1 3 166.268 1.034 10 0 ADAEHO [NH3+][C@H]1C=C(C2CCCCCC2)CNC1 675077729 537799770 /nfs/dbraw/zinc/79/97/70/537799770.db2.gz HTLBCNBGVLSCAD-LBPRGKRZSA-N 1 3 194.322 1.814 10 0 ADAEHO CC(C)(C)CCC1=C[C@H]([NH3+])CNC1 675077821 537800078 /nfs/dbraw/zinc/80/00/78/537800078.db2.gz JAQWAFMZBDNDOC-JTQLQIEISA-N 1 3 182.311 1.670 10 0 ADAEHO [NH3+][C@@H]1C=C(C2CCCCCC2)CNC1 675077728 537800294 /nfs/dbraw/zinc/80/02/94/537800294.db2.gz HTLBCNBGVLSCAD-GFCCVEGCSA-N 1 3 194.322 1.814 10 0 ADAEHO [NH3+][C@@H]1C=C(C[C@H]2CC=CCC2)CNC1 675077393 537800732 /nfs/dbraw/zinc/80/07/32/537800732.db2.gz DGBJDTNAQLMZFT-CMPLNLGQSA-N 1 3 192.306 1.590 10 0 ADAEHO CCC(CC)C1=C[C@H]([NH3+])CNC1 675077944 537800769 /nfs/dbraw/zinc/80/07/69/537800769.db2.gz KJODXZBTZIXZLD-JTQLQIEISA-N 1 3 168.284 1.280 10 0 ADAEHO [NH3+][C@@H]1C=C(CC2CCCC2)CNC1 675078202 537801480 /nfs/dbraw/zinc/80/14/80/537801480.db2.gz NKSNDKIPWHNRCL-LLVKDONJSA-N 1 3 180.295 1.424 10 0 ADAEHO CC(C)C[C@@H](C)C1=C[C@@H]([NH3+])CNC1 675078217 537801827 /nfs/dbraw/zinc/80/18/27/537801827.db2.gz NVHASQZXEIVPAU-MWLCHTKSSA-N 1 3 182.311 1.526 10 0 ADAEHO CC(C)C[C@H](C)C1=C[C@@H]([NH3+])CNC1 675078213 537801857 /nfs/dbraw/zinc/80/18/57/537801857.db2.gz NVHASQZXEIVPAU-GXSJLCMTSA-N 1 3 182.311 1.526 10 0 ADAEHO [NH3+][C@H]1C=C(CC2CCCC2)CNC1 675078204 537801882 /nfs/dbraw/zinc/80/18/82/537801882.db2.gz NKSNDKIPWHNRCL-NSHDSACASA-N 1 3 180.295 1.424 10 0 ADAEHO [NH3+][C@@H]1C=C(CCC2CCCC2)CNC1 675078438 537801899 /nfs/dbraw/zinc/80/18/99/537801899.db2.gz PQCDAGXIKAFESM-GFCCVEGCSA-N 1 3 194.322 1.814 10 0 ADAEHO [NH3+][C@H]1C=C(CCC2CCCC2)CNC1 675078439 537801952 /nfs/dbraw/zinc/80/19/52/537801952.db2.gz PQCDAGXIKAFESM-LBPRGKRZSA-N 1 3 194.322 1.814 10 0 ADAEHO CC(C)C[C@@H](C)C1=C[C@H]([NH3+])CNC1 675078215 537801997 /nfs/dbraw/zinc/80/19/97/537801997.db2.gz NVHASQZXEIVPAU-KOLCDFICSA-N 1 3 182.311 1.526 10 0 ADAEHO CCC(C)(C)CC1=C[C@@H]([NH3+])CNC1 675078208 537802133 /nfs/dbraw/zinc/80/21/33/537802133.db2.gz NKXITHFGGODQJE-SNVBAGLBSA-N 1 3 182.311 1.670 10 0 ADAEHO CCC(C)(C)CC1=C[C@H]([NH3+])CNC1 675078206 537802231 /nfs/dbraw/zinc/80/22/31/537802231.db2.gz NKXITHFGGODQJE-JTQLQIEISA-N 1 3 182.311 1.670 10 0 ADAEHO CC(C)C[C@H](C)C1=C[C@H]([NH3+])CNC1 675078219 537802347 /nfs/dbraw/zinc/80/23/47/537802347.db2.gz NVHASQZXEIVPAU-ONGXEEELSA-N 1 3 182.311 1.526 10 0 ADAEHO CC(C)=C(C)CCC1=C[C@H]([NH3+])CNC1 675079444 537803087 /nfs/dbraw/zinc/80/30/87/537803087.db2.gz YWOSKXRGIGDJMO-LBPRGKRZSA-N 1 3 194.322 1.980 10 0 ADAEHO [NH3+][C@H]1CNCC[C@H]1C=C1CCCCC1 675080211 537803122 /nfs/dbraw/zinc/80/31/22/537803122.db2.gz OPIPSXVQDRXJMW-RYUDHWBXSA-N 1 3 194.322 1.814 10 0 ADAEHO [NH3+][C@@H]1CNCC[C@@H]1C=C1CCCCC1 675080213 537803411 /nfs/dbraw/zinc/80/34/11/537803411.db2.gz OPIPSXVQDRXJMW-VXGBXAGGSA-N 1 3 194.322 1.814 10 0 ADAEHO [NH3+][C@@H]1CNCC[C@H]1C=C1CCCCC1 675080210 537804286 /nfs/dbraw/zinc/80/42/86/537804286.db2.gz OPIPSXVQDRXJMW-NWDGAFQWSA-N 1 3 194.322 1.814 10 0 ADAEHO CC(C)=C(C)CCC1=C[C@@H]([NH3+])CNC1 675079443 537805819 /nfs/dbraw/zinc/80/58/19/537805819.db2.gz YWOSKXRGIGDJMO-GFCCVEGCSA-N 1 3 194.322 1.980 10 0 ADAEHO [NH3+][C@H]1CNCC[C@@H]1C=C1CCCCC1 675080209 537806268 /nfs/dbraw/zinc/80/62/68/537806268.db2.gz OPIPSXVQDRXJMW-NEPJUHHUSA-N 1 3 194.322 1.814 10 0 ADAEHO C[C@H]1CCC[N@H+](CCCNC2CC2)C1 37478484 537816894 /nfs/dbraw/zinc/81/68/94/537816894.db2.gz MZEYWACTKDPXBP-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(CC)C1 37484282 537815040 /nfs/dbraw/zinc/81/50/40/537815040.db2.gz BXDYRUOBRAILPV-NEPJUHHUSA-N 1 3 198.354 1.964 10 0 ADAEHO CC1CC[NH+](CCCNC2CC2)CC1 37478465 537815164 /nfs/dbraw/zinc/81/51/64/537815164.db2.gz MTNJXONPPBRZBN-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H](C)C[NH2+]C[C@H]1CCN(CC)C1 37484284 537815675 /nfs/dbraw/zinc/81/56/75/537815675.db2.gz BXDYRUOBRAILPV-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[NH+](CC)CCCNC1CC1 37478469 537815871 /nfs/dbraw/zinc/81/58/71/537815871.db2.gz PRXMYTIKQHVBPR-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CCN(CC)CCC[NH2+]C1CC1 37478469 537815877 /nfs/dbraw/zinc/81/58/77/537815877.db2.gz PRXMYTIKQHVBPR-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO C[N@H+](CCCNC1CC1)C1CC1 37478548 537815921 /nfs/dbraw/zinc/81/59/21/537815921.db2.gz VZQLQTOACNHZNJ-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO C[N@@H+](CCCNC1CC1)C1CC1 37478548 537815930 /nfs/dbraw/zinc/81/59/30/537815930.db2.gz VZQLQTOACNHZNJ-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CCCN(C)CCC[NH2+]C1CC1 37478564 537816079 /nfs/dbraw/zinc/81/60/79/537816079.db2.gz ULQUEWVLOWRTJB-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+](C)CCCNC1CC1 37478564 537816086 /nfs/dbraw/zinc/81/60/86/537816086.db2.gz ULQUEWVLOWRTJB-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@@H+](C)CCCNC1CC1 37478564 537816097 /nfs/dbraw/zinc/81/60/97/537816097.db2.gz ULQUEWVLOWRTJB-UHFFFAOYSA-N 1 3 170.300 1.470 10 0 ADAEHO C[C@H]1CCCN(CCC[NH2+]C2CC2)C1 37478484 537816889 /nfs/dbraw/zinc/81/68/89/537816889.db2.gz MZEYWACTKDPXBP-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CCC[N@@H+](CCCNC2CC2)C1 37478484 537816901 /nfs/dbraw/zinc/81/69/01/537816901.db2.gz MZEYWACTKDPXBP-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 37478483 537816968 /nfs/dbraw/zinc/81/69/68/537816968.db2.gz MZEYWACTKDPXBP-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCC[N@H+](CCCNC2CC2)C1 37478483 537816976 /nfs/dbraw/zinc/81/69/76/537816976.db2.gz MZEYWACTKDPXBP-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1CCC[N@@H+](CCCNC2CC2)C1 37478483 537816983 /nfs/dbraw/zinc/81/69/83/537816983.db2.gz MZEYWACTKDPXBP-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@H]([NH3+])C1CCCCCC1 685946548 537817258 /nfs/dbraw/zinc/81/72/58/537817258.db2.gz CKNXINKJYWPTAS-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO CNC[C@H]([NH3+])C1CCCCCC1 685946544 537817461 /nfs/dbraw/zinc/81/74/61/537817461.db2.gz CKNXINKJYWPTAS-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@H]1CCN(CC)C1 37484285 537817494 /nfs/dbraw/zinc/81/74/94/537817494.db2.gz BXDYRUOBRAILPV-NWDGAFQWSA-N 1 3 198.354 1.964 10 0 ADAEHO C1CC[NH+](CCCNC2CC2)C1 37478467 537817688 /nfs/dbraw/zinc/81/76/88/537817688.db2.gz KEUXIKQIDNMPIV-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO CC(C)[N@H+](C)CCCNC1CC1 37478505 537817856 /nfs/dbraw/zinc/81/78/56/537817856.db2.gz KYHYBGGFLIYZMC-UHFFFAOYSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)[N@@H+](C)CCCNC1CC1 37478505 537817863 /nfs/dbraw/zinc/81/78/63/537817863.db2.gz KYHYBGGFLIYZMC-UHFFFAOYSA-N 1 3 170.300 1.469 10 0 ADAEHO CC(C)N(C)CCC[NH2+]C1CC1 37478505 537817870 /nfs/dbraw/zinc/81/78/70/537817870.db2.gz KYHYBGGFLIYZMC-UHFFFAOYSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN(C)CCC[NH2+]C1CC1 37478544 537817973 /nfs/dbraw/zinc/81/79/73/537817973.db2.gz NHVUNTHDTNVOFP-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+](C)CCCNC1CC1 37478544 537817979 /nfs/dbraw/zinc/81/79/79/537817979.db2.gz NHVUNTHDTNVOFP-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@@H+](C)CCCNC1CC1 37478544 537817986 /nfs/dbraw/zinc/81/79/86/537817986.db2.gz NHVUNTHDTNVOFP-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[N@H+](CC)CCCNC1CC1 37478558 537818088 /nfs/dbraw/zinc/81/80/88/537818088.db2.gz ATQPRCUBJJGXBM-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@@H+](CC)CCCNC1CC1 37478558 537818096 /nfs/dbraw/zinc/81/80/96/537818096.db2.gz ATQPRCUBJJGXBM-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCN(CC)CCC[NH2+]C1CC1 37478558 537818100 /nfs/dbraw/zinc/81/81/00/537818100.db2.gz ATQPRCUBJJGXBM-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO C1CC[NH+](CCCNC2CC2)CC1 37478521 537818299 /nfs/dbraw/zinc/81/82/99/537818299.db2.gz WAFKTLOEBXCNQN-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO CC[C@H](C)C[NH2+]C[C@@H]1CCN(CC)C1 37484283 537818488 /nfs/dbraw/zinc/81/84/88/537818488.db2.gz BXDYRUOBRAILPV-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[NH2+]C[C@H](CN)C1CCC1 685947091 537818511 /nfs/dbraw/zinc/81/85/11/537818511.db2.gz REESCQUDCFGXNM-JTQLQIEISA-N 1 3 170.300 1.359 10 0 ADAEHO CC1(C)CCC([NH3+])(C2=NCCN2)CC1 685947429 537818783 /nfs/dbraw/zinc/81/87/83/537818783.db2.gz KINCQSBSKXZJIJ-UHFFFAOYSA-N 1 3 195.310 1.286 10 0 ADAEHO CCNC[C@H]([NH3+])C1CCCCCC1 685946933 537818820 /nfs/dbraw/zinc/81/88/20/537818820.db2.gz GXCNFAUKSKJOPP-NSHDSACASA-N 1 3 184.327 1.894 10 0 ADAEHO CCNC[C@@H]([NH3+])C1CCCCCC1 685946932 537820052 /nfs/dbraw/zinc/82/00/52/537820052.db2.gz GXCNFAUKSKJOPP-LLVKDONJSA-N 1 3 184.327 1.894 10 0 ADAEHO CC(C)[NH2+]C[C@@H](CN)C1CCC1 685947093 537820867 /nfs/dbraw/zinc/82/08/67/537820867.db2.gz REESCQUDCFGXNM-SNVBAGLBSA-N 1 3 170.300 1.359 10 0 ADAEHO C1CNC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 685947557 537822222 /nfs/dbraw/zinc/82/22/22/537822222.db2.gz PCMRLIVCMXGTMB-HBNTYKKESA-N 1 3 180.295 1.128 10 0 ADAEHO C[C@H]1C[C@@]([NH3+])(C2=NCCN2)CC[C@H]1C 685947612 537822404 /nfs/dbraw/zinc/82/24/04/537822404.db2.gz MKLKZKSEEIDEPA-WCABBAIRSA-N 1 3 195.310 1.142 10 0 ADAEHO C1CNC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 685947558 537822619 /nfs/dbraw/zinc/82/26/19/537822619.db2.gz PCMRLIVCMXGTMB-MXWKQRLJSA-N 1 3 180.295 1.128 10 0 ADAEHO C1CNC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 685947551 537822624 /nfs/dbraw/zinc/82/26/24/537822624.db2.gz PCMRLIVCMXGTMB-AXFHLTTASA-N 1 3 180.295 1.128 10 0 ADAEHO C1CNC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 685947556 537822705 /nfs/dbraw/zinc/82/27/05/537822705.db2.gz PCMRLIVCMXGTMB-GMTAPVOTSA-N 1 3 180.295 1.128 10 0 ADAEHO C[C@H]1C[C@]([NH3+])(C2=NCCN2)CC[C@H]1C 685947614 537822728 /nfs/dbraw/zinc/82/27/28/537822728.db2.gz MKLKZKSEEIDEPA-YWVKMMECSA-N 1 3 195.310 1.142 10 0 ADAEHO C[NH2+]C[C@@H](CN)C1CCCCCC1 685947761 537823141 /nfs/dbraw/zinc/82/31/41/537823141.db2.gz ZQLFNCXAJCTCKD-LLVKDONJSA-N 1 3 184.327 1.751 10 0 ADAEHO C[C@@H]1CC[C@@]([NH3+])(C2=NCCN2)C[C@H]1C 685947609 537823327 /nfs/dbraw/zinc/82/33/27/537823327.db2.gz MKLKZKSEEIDEPA-KKZNHRDASA-N 1 3 195.310 1.142 10 0 ADAEHO C[NH2+]C[C@H](CN)C1CCCCCC1 685947772 537823684 /nfs/dbraw/zinc/82/36/84/537823684.db2.gz ZQLFNCXAJCTCKD-NSHDSACASA-N 1 3 184.327 1.751 10 0 ADAEHO C[C@@H]1CC[C@]([NH3+])(C2=NCCN2)C[C@H]1C 685947596 537824571 /nfs/dbraw/zinc/82/45/71/537824571.db2.gz MKLKZKSEEIDEPA-FXPVBKGRSA-N 1 3 195.310 1.142 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1[C@@H](C)CNC[C@H]1C 685951109 537833291 /nfs/dbraw/zinc/83/32/91/537833291.db2.gz NFUPJOUPYXRKFV-GDNZZTSVSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[NH2+]CC[C@@H](N)CC(C)C 685949882 537828853 /nfs/dbraw/zinc/82/88/53/537828853.db2.gz VFQPNUQLEQPKLH-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO CCNCC[C@@H]([NH3+])CC(C)C 685949882 537828856 /nfs/dbraw/zinc/82/88/56/537828856.db2.gz VFQPNUQLEQPKLH-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO CC(C)C[C@H](N)CC[NH2+]C(C)C 685949962 537830082 /nfs/dbraw/zinc/83/00/82/537830082.db2.gz XUMRLWOXDXEZDN-SNVBAGLBSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@H+]1CCC[C@@H]1C 685951762 537830695 /nfs/dbraw/zinc/83/06/95/537830695.db2.gz XNXOXNATOYBYIW-WHOHXGKFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@@H+]1CCC[C@@H]1C 685951762 537830703 /nfs/dbraw/zinc/83/07/03/537830703.db2.gz XNXOXNATOYBYIW-WHOHXGKFSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[N@H+](C(C)C)C1[C@H](C)CNC[C@H]1C 685950884 537830726 /nfs/dbraw/zinc/83/07/26/537830726.db2.gz GXVACAHJILRASO-GHMZBOCLSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[N@@H+](C(C)C)C1[C@H](C)CNC[C@H]1C 685950884 537830735 /nfs/dbraw/zinc/83/07/35/537830735.db2.gz GXVACAHJILRASO-GHMZBOCLSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@H+](C)C(C)(C)C 685951220 537830758 /nfs/dbraw/zinc/83/07/58/537830758.db2.gz QQKPXLFPDXTSCA-URLYPYJESA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@@H+](C)C(C)(C)C 685951220 537830765 /nfs/dbraw/zinc/83/07/65/537830765.db2.gz QQKPXLFPDXTSCA-URLYPYJESA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@H+]1CCC[C@H]1C 685951760 537830931 /nfs/dbraw/zinc/83/09/31/537830931.db2.gz XNXOXNATOYBYIW-KXNHARMFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@@H+]1CCC[C@H]1C 685951760 537830943 /nfs/dbraw/zinc/83/09/43/537830943.db2.gz XNXOXNATOYBYIW-KXNHARMFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@@H+](C)CC1CC1 685950897 537831148 /nfs/dbraw/zinc/83/11/48/537831148.db2.gz HGXUESITDMQECF-IAZYJMLFSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@H+](C)CC1CC1 685950897 537831141 /nfs/dbraw/zinc/83/11/41/537831141.db2.gz HGXUESITDMQECF-IAZYJMLFSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@H+]1C[C@H]2C[C@H]2C1 685951072 537831187 /nfs/dbraw/zinc/83/11/87/537831187.db2.gz MJOWPVUHMUGTNQ-YYNVLWEHSA-N 1 3 194.322 1.182 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 685951072 537831192 /nfs/dbraw/zinc/83/11/92/537831192.db2.gz MJOWPVUHMUGTNQ-YYNVLWEHSA-N 1 3 194.322 1.182 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+](C)C1CC1 685951673 537831279 /nfs/dbraw/zinc/83/12/79/537831279.db2.gz VMIVJPMVYNIFEZ-RKDXNWHRSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+](C)C1CC1 685951673 537831282 /nfs/dbraw/zinc/83/12/82/537831282.db2.gz VMIVJPMVYNIFEZ-RKDXNWHRSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N(C)C1CC1 685951673 537831287 /nfs/dbraw/zinc/83/12/87/537831287.db2.gz VMIVJPMVYNIFEZ-RKDXNWHRSA-N 1 3 182.311 1.325 10 0 ADAEHO CC[N@H+](C1CC1)C1[C@@H](C)CNC[C@@H]1C 685950991 537831332 /nfs/dbraw/zinc/83/13/32/537831332.db2.gz KSVBQEFHKGEWFG-UWVGGRQHSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[N@@H+](C1CC1)C1[C@@H](C)CNC[C@@H]1C 685950991 537831334 /nfs/dbraw/zinc/83/13/34/537831334.db2.gz KSVBQEFHKGEWFG-UWVGGRQHSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[N@H+](C)C(C)(C)C 685951222 537831436 /nfs/dbraw/zinc/83/14/36/537831436.db2.gz QQKPXLFPDXTSCA-UWVGGRQHSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[N@@H+](C)C(C)(C)C 685951222 537831441 /nfs/dbraw/zinc/83/14/41/537831441.db2.gz QQKPXLFPDXTSCA-UWVGGRQHSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[NH+]1CCCC1 685951938 537831512 /nfs/dbraw/zinc/83/15/12/537831512.db2.gz ZNFGGWHDBZNHBF-NXEZZACHSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[NH+]1CCCC1 685951939 537831519 /nfs/dbraw/zinc/83/15/19/537831519.db2.gz ZNFGGWHDBZNHBF-URLYPYJESA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1C[C@H]2C[C@H]2C1 685951065 537831539 /nfs/dbraw/zinc/83/15/39/537831539.db2.gz MJOWPVUHMUGTNQ-DBIOUOCHSA-N 1 3 194.322 1.182 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1C[C@H]2C[C@H]2C1 685951065 537831544 /nfs/dbraw/zinc/83/15/44/537831544.db2.gz MJOWPVUHMUGTNQ-DBIOUOCHSA-N 1 3 194.322 1.182 10 0 ADAEHO CCCC[N@H+](C)C1[C@@H](C)CNC[C@@H]1C 685951112 537831630 /nfs/dbraw/zinc/83/16/30/537831630.db2.gz NFUPJOUPYXRKFV-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@@H+](C)C1[C@@H](C)CNC[C@@H]1C 685951112 537831636 /nfs/dbraw/zinc/83/16/36/537831636.db2.gz NFUPJOUPYXRKFV-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@H+](C(C)C)C1[C@@H](C)CNC[C@@H]1C 685950885 537831663 /nfs/dbraw/zinc/83/16/63/537831663.db2.gz GXVACAHJILRASO-QWRGUYRKSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[N@@H+](C(C)C)C1[C@@H](C)CNC[C@@H]1C 685950885 537831670 /nfs/dbraw/zinc/83/16/70/537831670.db2.gz GXVACAHJILRASO-QWRGUYRKSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[NH+]1CCCC1 685951940 537831820 /nfs/dbraw/zinc/83/18/20/537831820.db2.gz ZNFGGWHDBZNHBF-UWVGGRQHSA-N 1 3 182.311 1.326 10 0 ADAEHO CC[N@H+](C)C1[C@H](C)CNC[C@H]1C 685951758 537831859 /nfs/dbraw/zinc/83/18/59/537831859.db2.gz XMXLXPHCARUFJP-RKDXNWHRSA-N 1 3 170.300 1.182 10 0 ADAEHO CC[N@@H+](C)C1[C@H](C)CNC[C@H]1C 685951758 537831868 /nfs/dbraw/zinc/83/18/68/537831868.db2.gz XMXLXPHCARUFJP-RKDXNWHRSA-N 1 3 170.300 1.182 10 0 ADAEHO CCN(C)C1[C@H](C)C[NH2+]C[C@H]1C 685951758 537831874 /nfs/dbraw/zinc/83/18/74/537831874.db2.gz XMXLXPHCARUFJP-RKDXNWHRSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCC[C@H]1C 685951759 537832033 /nfs/dbraw/zinc/83/20/33/537832033.db2.gz XNXOXNATOYBYIW-GMTAPVOTSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCC[C@H]1C 685951759 537832040 /nfs/dbraw/zinc/83/20/40/537832040.db2.gz XNXOXNATOYBYIW-GMTAPVOTSA-N 1 3 196.338 1.715 10 0 ADAEHO CCCC[N@H+](C)C1[C@H](C)CNC[C@H]1C 685951111 537832181 /nfs/dbraw/zinc/83/21/81/537832181.db2.gz NFUPJOUPYXRKFV-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCC[N@@H+](C)C1[C@H](C)CNC[C@H]1C 685951111 537832186 /nfs/dbraw/zinc/83/21/86/537832186.db2.gz NFUPJOUPYXRKFV-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H]1[C@@H](C)CNC[C@H]1C 685950989 537832249 /nfs/dbraw/zinc/83/22/49/537832249.db2.gz KSVBQEFHKGEWFG-IAZYJMLFSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H]1[C@@H](C)CNC[C@H]1C 685950989 537832252 /nfs/dbraw/zinc/83/22/52/537832252.db2.gz KSVBQEFHKGEWFG-IAZYJMLFSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[N@H+](C)CC1CC1 685950899 537832267 /nfs/dbraw/zinc/83/22/67/537832267.db2.gz HGXUESITDMQECF-UWVGGRQHSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[N@@H+](C)CC1CC1 685950899 537832273 /nfs/dbraw/zinc/83/22/73/537832273.db2.gz HGXUESITDMQECF-UWVGGRQHSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[N@H+](C1CC1)C1[C@H](C)CNC[C@H]1C 685950990 537832306 /nfs/dbraw/zinc/83/23/06/537832306.db2.gz KSVBQEFHKGEWFG-NXEZZACHSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[N@@H+](C1CC1)C1[C@H](C)CNC[C@H]1C 685950990 537832313 /nfs/dbraw/zinc/83/23/13/537832313.db2.gz KSVBQEFHKGEWFG-NXEZZACHSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[N@H+](C)[C@@H]1[C@@H](C)CNC[C@H]1C 685951757 537832402 /nfs/dbraw/zinc/83/24/02/537832402.db2.gz XMXLXPHCARUFJP-MYJAWHEDSA-N 1 3 170.300 1.182 10 0 ADAEHO CC[N@@H+](C)[C@@H]1[C@@H](C)CNC[C@H]1C 685951757 537832418 /nfs/dbraw/zinc/83/24/18/537832418.db2.gz XMXLXPHCARUFJP-MYJAWHEDSA-N 1 3 170.300 1.182 10 0 ADAEHO CCN(C)[C@@H]1[C@@H](C)C[NH2+]C[C@H]1C 685951757 537832425 /nfs/dbraw/zinc/83/24/25/537832425.db2.gz XMXLXPHCARUFJP-MYJAWHEDSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+](C)C(C)(C)C 685951219 537832464 /nfs/dbraw/zinc/83/24/64/537832464.db2.gz QQKPXLFPDXTSCA-NXEZZACHSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+](C)C(C)(C)C 685951219 537832472 /nfs/dbraw/zinc/83/24/72/537832472.db2.gz QQKPXLFPDXTSCA-NXEZZACHSA-N 1 3 198.354 1.961 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[N@H+](C)C1CC1 685951669 537832508 /nfs/dbraw/zinc/83/25/08/537832508.db2.gz VMIVJPMVYNIFEZ-IUCAKERBSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[N@@H+](C)C1CC1 685951669 537832514 /nfs/dbraw/zinc/83/25/14/537832514.db2.gz VMIVJPMVYNIFEZ-IUCAKERBSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H](C)C1N(C)C1CC1 685951669 537832521 /nfs/dbraw/zinc/83/25/21/537832521.db2.gz VMIVJPMVYNIFEZ-IUCAKERBSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[NH+]1CCCCC1 685950953 537832559 /nfs/dbraw/zinc/83/25/59/537832559.db2.gz JKBKLFKGSJNQLB-GDNZZTSVSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1[C@@H](C)CNC[C@H]1C 685950883 537832718 /nfs/dbraw/zinc/83/27/18/537832718.db2.gz GXVACAHJILRASO-GDNZZTSVSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1[C@@H](C)CNC[C@H]1C 685950883 537832723 /nfs/dbraw/zinc/83/27/23/537832723.db2.gz GXVACAHJILRASO-GDNZZTSVSA-N 1 3 198.354 1.961 10 0 ADAEHO CN1CC[C@H]([NH3+])C12CCCCC2 39473116 537832930 /nfs/dbraw/zinc/83/29/30/537832930.db2.gz ZFKRLBALRZBYCL-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC[N@H+](C)C1[C@@H](C)CNC[C@@H]1C 685951756 537832987 /nfs/dbraw/zinc/83/29/87/537832987.db2.gz XMXLXPHCARUFJP-IUCAKERBSA-N 1 3 170.300 1.182 10 0 ADAEHO CC[N@@H+](C)C1[C@@H](C)CNC[C@@H]1C 685951756 537832996 /nfs/dbraw/zinc/83/29/96/537832996.db2.gz XMXLXPHCARUFJP-IUCAKERBSA-N 1 3 170.300 1.182 10 0 ADAEHO CCN(C)C1[C@@H](C)C[NH2+]C[C@@H]1C 685951756 537833008 /nfs/dbraw/zinc/83/30/08/537833008.db2.gz XMXLXPHCARUFJP-IUCAKERBSA-N 1 3 170.300 1.182 10 0 ADAEHO CC[NH+](CC)C1[C@H](C)CNC[C@H]1C 685951113 537833191 /nfs/dbraw/zinc/83/31/91/537833191.db2.gz NINHXXHWNCFTTD-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1[C@@H](C)CNC[C@H]1C 685951109 537833294 /nfs/dbraw/zinc/83/32/94/537833294.db2.gz NFUPJOUPYXRKFV-GDNZZTSVSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+](C)CC1CC1 685950898 537833415 /nfs/dbraw/zinc/83/34/15/537833415.db2.gz HGXUESITDMQECF-NXEZZACHSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+](C)CC1CC1 685950898 537833418 /nfs/dbraw/zinc/83/34/18/537833418.db2.gz HGXUESITDMQECF-NXEZZACHSA-N 1 3 196.338 1.572 10 0 ADAEHO CCC[N@H+](C)[C@@H]1[C@@H](C)CNC[C@H]1C 685951439 537833431 /nfs/dbraw/zinc/83/34/31/537833431.db2.gz UMDPCCAUJAXCCM-URLYPYJESA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[N@@H+](C)[C@@H]1[C@@H](C)CNC[C@H]1C 685951439 537833436 /nfs/dbraw/zinc/83/34/36/537833436.db2.gz UMDPCCAUJAXCCM-URLYPYJESA-N 1 3 184.327 1.572 10 0 ADAEHO CC[NH+](CC)C1[C@@H](C)CNC[C@@H]1C 685951115 537833467 /nfs/dbraw/zinc/83/34/67/537833467.db2.gz NINHXXHWNCFTTD-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO CC[NH+](CC)[C@@H]1[C@@H](C)CNC[C@H]1C 685951114 537833500 /nfs/dbraw/zinc/83/35/00/537833500.db2.gz NINHXXHWNCFTTD-URLYPYJESA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[N@H+](C)C1[C@@H](C)CNC[C@@H]1C 685951440 537833542 /nfs/dbraw/zinc/83/35/42/537833542.db2.gz UMDPCCAUJAXCCM-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[N@@H+](C)C1[C@@H](C)CNC[C@@H]1C 685951440 537833547 /nfs/dbraw/zinc/83/35/47/537833547.db2.gz UMDPCCAUJAXCCM-UWVGGRQHSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H]1CCC[N@@H+]1C1[C@H](C)CNC[C@H]1C 685951761 537833653 /nfs/dbraw/zinc/83/36/53/537833653.db2.gz XNXOXNATOYBYIW-MXWKQRLJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CCC[N@H+]1C1[C@H](C)CNC[C@H]1C 685951761 537833660 /nfs/dbraw/zinc/83/36/60/537833660.db2.gz XNXOXNATOYBYIW-MXWKQRLJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@H+](C)C1CC1 685951672 537833761 /nfs/dbraw/zinc/83/37/61/537833761.db2.gz VMIVJPMVYNIFEZ-JZYVYDRUSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[N@@H+](C)C1CC1 685951672 537833765 /nfs/dbraw/zinc/83/37/65/537833765.db2.gz VMIVJPMVYNIFEZ-JZYVYDRUSA-N 1 3 182.311 1.325 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H](C)[C@@H]1N(C)C1CC1 685951672 537833774 /nfs/dbraw/zinc/83/37/74/537833774.db2.gz VMIVJPMVYNIFEZ-JZYVYDRUSA-N 1 3 182.311 1.325 10 0 ADAEHO CCC[N@H+](C)C1[C@H](C)CNC[C@H]1C 685951438 537833845 /nfs/dbraw/zinc/83/38/45/537833845.db2.gz UMDPCCAUJAXCCM-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CCC[N@@H+](C)C1[C@H](C)CNC[C@H]1C 685951438 537833851 /nfs/dbraw/zinc/83/38/51/537833851.db2.gz UMDPCCAUJAXCCM-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CN1CC[C@@H]([NH3+])C12CCCCC2 39473117 537836690 /nfs/dbraw/zinc/83/66/90/537836690.db2.gz ZFKRLBALRZBYCL-SECBINFHSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H]1CCC[C@@]2(C1)[C@H]([NH3+])CCN2C 685954438 537843268 /nfs/dbraw/zinc/84/32/68/537843268.db2.gz MTNAAKHUJQYCGX-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@]2(C1)[C@H]([NH3+])CCN2C 685954441 537846583 /nfs/dbraw/zinc/84/65/83/537846583.db2.gz MTNAAKHUJQYCGX-MXWKQRLJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@]2(C1)[C@@H]([NH3+])CCN2C 685954448 537848857 /nfs/dbraw/zinc/84/88/57/537848857.db2.gz MTNAAKHUJQYCGX-VWYCJHECSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[C@@]2(C1)[C@@H]([NH3+])CCN2C 685954444 537849352 /nfs/dbraw/zinc/84/93/52/537849352.db2.gz MTNAAKHUJQYCGX-OUAUKWLOSA-N 1 3 182.311 1.598 10 0 ADAEHO CC(C)C1([NH+]2CCC2)CCNCC1 685960995 537863036 /nfs/dbraw/zinc/86/30/36/537863036.db2.gz KYAVZWZWIBSGAF-UHFFFAOYSA-N 1 3 182.311 1.470 10 0 ADAEHO NC[C@@H]1CCC[C@@H]2CCC[NH2+][C@@H]12 685959910 537863389 /nfs/dbraw/zinc/86/33/89/537863389.db2.gz VHRRHCPCYKRDPZ-KXUCPTDWSA-N 1 3 168.284 1.113 10 0 ADAEHO NC[C@@H]1CCC[C@@H]2CCC[NH2+][C@H]12 685959912 537864613 /nfs/dbraw/zinc/86/46/13/537864613.db2.gz VHRRHCPCYKRDPZ-UTLUCORTSA-N 1 3 168.284 1.113 10 0 ADAEHO NC[C@@H]1CCC[C@H]2CCC[NH2+][C@H]12 685959909 537864829 /nfs/dbraw/zinc/86/48/29/537864829.db2.gz VHRRHCPCYKRDPZ-GUBZILKMSA-N 1 3 168.284 1.113 10 0 ADAEHO NC[C@@H]1CCC[C@H]2CCC[NH2+][C@@H]12 685959911 537865126 /nfs/dbraw/zinc/86/51/26/537865126.db2.gz VHRRHCPCYKRDPZ-LPEHRKFASA-N 1 3 168.284 1.113 10 0 ADAEHO C1CC(N[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 725241395 537887505 /nfs/dbraw/zinc/88/75/05/537887505.db2.gz FBEVAHXFMZQLPL-NWDGAFQWSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 725241395 537887511 /nfs/dbraw/zinc/88/75/11/537887511.db2.gz FBEVAHXFMZQLPL-NWDGAFQWSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 725241397 537887686 /nfs/dbraw/zinc/88/76/86/537887686.db2.gz FBEVAHXFMZQLPL-VXGBXAGGSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 725241397 537887692 /nfs/dbraw/zinc/88/76/92/537887692.db2.gz FBEVAHXFMZQLPL-VXGBXAGGSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 725241396 537888058 /nfs/dbraw/zinc/88/80/58/537888058.db2.gz FBEVAHXFMZQLPL-RYUDHWBXSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 725241396 537888064 /nfs/dbraw/zinc/88/80/64/537888064.db2.gz FBEVAHXFMZQLPL-RYUDHWBXSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 725241392 537888363 /nfs/dbraw/zinc/88/83/63/537888363.db2.gz FBEVAHXFMZQLPL-NEPJUHHUSA-N 1 3 194.322 1.755 10 0 ADAEHO C1CC(N[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 725241392 537888372 /nfs/dbraw/zinc/88/83/72/537888372.db2.gz FBEVAHXFMZQLPL-NEPJUHHUSA-N 1 3 194.322 1.755 10 0 ADAEHO CC(C)N[C@H]1C[C@@H]2CCCC[N@@H+]2C1 725241846 537890862 /nfs/dbraw/zinc/89/08/62/537890862.db2.gz SEQVGCMSWCTWPK-QWRGUYRKSA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N[C@H]1C[C@@H]2CCCC[N@H+]2C1 725241846 537890869 /nfs/dbraw/zinc/89/08/69/537890869.db2.gz SEQVGCMSWCTWPK-QWRGUYRKSA-N 1 3 182.311 1.611 10 0 ADAEHO CCN[C@@H]1C[C@H]2CCCC[N@@H+]2C1 725242001 537891724 /nfs/dbraw/zinc/89/17/24/537891724.db2.gz ZPIPTWNXECEKJQ-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@@H]1C[C@H]2CCCC[N@H+]2C1 725242001 537891730 /nfs/dbraw/zinc/89/17/30/537891730.db2.gz ZPIPTWNXECEKJQ-NXEZZACHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCCN[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 725241989 537891798 /nfs/dbraw/zinc/89/17/98/537891798.db2.gz YUFVYALGKDEKFV-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CCCN[C@@H]1C[C@@H]2CCCC[N@H+]2C1 725241989 537891802 /nfs/dbraw/zinc/89/18/02/537891802.db2.gz YUFVYALGKDEKFV-MNOVXSKESA-N 1 3 182.311 1.613 10 0 ADAEHO CCCN[C@H]1C[C@@H]2CCCC[N@@H+]2C1 725241990 537892826 /nfs/dbraw/zinc/89/28/26/537892826.db2.gz YUFVYALGKDEKFV-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CCCN[C@H]1C[C@@H]2CCCC[N@H+]2C1 725241990 537892833 /nfs/dbraw/zinc/89/28/33/537892833.db2.gz YUFVYALGKDEKFV-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CCN[C@H]1C[C@@H]2CCCC[N@H+]2C1 725242002 537892880 /nfs/dbraw/zinc/89/28/80/537892880.db2.gz ZPIPTWNXECEKJQ-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@H]1C[C@@H]2CCCC[N@@H+]2C1 725242002 537892874 /nfs/dbraw/zinc/89/28/74/537892874.db2.gz ZPIPTWNXECEKJQ-UWVGGRQHSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 725242004 537892935 /nfs/dbraw/zinc/89/29/35/537892935.db2.gz ZPIPTWNXECEKJQ-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@@H]1C[C@@H]2CCCC[N@H+]2C1 725242004 537892937 /nfs/dbraw/zinc/89/29/37/537892937.db2.gz ZPIPTWNXECEKJQ-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO CCCN[C@@H]1C[C@H]2CCCC[N@@H+]2C1 725241988 537893180 /nfs/dbraw/zinc/89/31/80/537893180.db2.gz YUFVYALGKDEKFV-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CCCN[C@@H]1C[C@H]2CCCC[N@H+]2C1 725241988 537893187 /nfs/dbraw/zinc/89/31/87/537893187.db2.gz YUFVYALGKDEKFV-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)N[C@@H]1C[C@H]2CCCC[N@@H+]2C1 725241844 537893492 /nfs/dbraw/zinc/89/34/92/537893492.db2.gz SEQVGCMSWCTWPK-GHMZBOCLSA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N[C@@H]1C[C@H]2CCCC[N@H+]2C1 725241844 537893495 /nfs/dbraw/zinc/89/34/95/537893495.db2.gz SEQVGCMSWCTWPK-GHMZBOCLSA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N[C@H]1C[C@H]2CCCC[N@@H+]2C1 725241847 537893668 /nfs/dbraw/zinc/89/36/68/537893668.db2.gz SEQVGCMSWCTWPK-WDEREUQCSA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N[C@H]1C[C@H]2CCCC[N@H+]2C1 725241847 537893673 /nfs/dbraw/zinc/89/36/73/537893673.db2.gz SEQVGCMSWCTWPK-WDEREUQCSA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 725241845 537893918 /nfs/dbraw/zinc/89/39/18/537893918.db2.gz SEQVGCMSWCTWPK-MNOVXSKESA-N 1 3 182.311 1.611 10 0 ADAEHO CC(C)N[C@@H]1C[C@@H]2CCCC[N@H+]2C1 725241845 537893934 /nfs/dbraw/zinc/89/39/34/537893934.db2.gz SEQVGCMSWCTWPK-MNOVXSKESA-N 1 3 182.311 1.611 10 0 ADAEHO CCN[C@H]1C[C@H]2CCCC[N@@H+]2C1 725242003 537894031 /nfs/dbraw/zinc/89/40/31/537894031.db2.gz ZPIPTWNXECEKJQ-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO CCN[C@H]1C[C@H]2CCCC[N@H+]2C1 725242003 537894038 /nfs/dbraw/zinc/89/40/38/537894038.db2.gz ZPIPTWNXECEKJQ-VHSXEESVSA-N 1 3 168.284 1.223 10 0 ADAEHO CCCN[C@H]1C[C@H]2CCCC[N@@H+]2C1 725241991 537894194 /nfs/dbraw/zinc/89/41/94/537894194.db2.gz YUFVYALGKDEKFV-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CCCN[C@H]1C[C@H]2CCCC[N@H+]2C1 725241991 537894201 /nfs/dbraw/zinc/89/42/01/537894201.db2.gz YUFVYALGKDEKFV-WDEREUQCSA-N 1 3 182.311 1.613 10 0 ADAEHO CCC[N@@H+]1CC[C@@H]2CCNC[C@@H]21 725255409 537917778 /nfs/dbraw/zinc/91/77/78/537917778.db2.gz PYZHHPLDVKXMJX-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@H+]1CC[C@@H]2CCNC[C@@H]21 725255409 537917783 /nfs/dbraw/zinc/91/77/83/537917783.db2.gz PYZHHPLDVKXMJX-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@@H+]1CC[C@H]2CCNC[C@H]21 725255406 537918057 /nfs/dbraw/zinc/91/80/57/537918057.db2.gz PYZHHPLDVKXMJX-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@H+]1CC[C@H]2CCNC[C@H]21 725255406 537918060 /nfs/dbraw/zinc/91/80/60/537918060.db2.gz PYZHHPLDVKXMJX-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@@H+]1CC[C@@H]2CCNC[C@H]21 725255410 537919076 /nfs/dbraw/zinc/91/90/76/537919076.db2.gz PYZHHPLDVKXMJX-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@H+]1CC[C@@H]2CCNC[C@H]21 725255410 537919084 /nfs/dbraw/zinc/91/90/84/537919084.db2.gz PYZHHPLDVKXMJX-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@@H+]1CC[C@H]2CCNC[C@@H]21 725255412 537919390 /nfs/dbraw/zinc/91/93/90/537919390.db2.gz PYZHHPLDVKXMJX-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[N@H+]1CC[C@H]2CCNC[C@@H]21 725255412 537919393 /nfs/dbraw/zinc/91/93/93/537919393.db2.gz PYZHHPLDVKXMJX-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H]2CCNC[C@@H]21 725255478 537922093 /nfs/dbraw/zinc/92/20/93/537922093.db2.gz UBOUSVNQJPFSSO-UWVGGRQHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H]2CCNC[C@@H]21 725255478 537922098 /nfs/dbraw/zinc/92/20/98/537922098.db2.gz UBOUSVNQJPFSSO-UWVGGRQHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H]2CCNC[C@@H]21 725255481 537922255 /nfs/dbraw/zinc/92/22/55/537922255.db2.gz UBOUSVNQJPFSSO-ZJUUUORDSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@H+]1CC[C@H]2CCNC[C@@H]21 725255481 537922263 /nfs/dbraw/zinc/92/22/63/537922263.db2.gz UBOUSVNQJPFSSO-ZJUUUORDSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H]2CCNC[C@H]21 725255477 537922388 /nfs/dbraw/zinc/92/23/88/537922388.db2.gz UBOUSVNQJPFSSO-NXEZZACHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@H+]1CC[C@H]2CCNC[C@H]21 725255477 537922394 /nfs/dbraw/zinc/92/23/94/537922394.db2.gz UBOUSVNQJPFSSO-NXEZZACHSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H]2CCNC[C@H]21 725255479 537922989 /nfs/dbraw/zinc/92/29/89/537922989.db2.gz UBOUSVNQJPFSSO-VHSXEESVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H]2CCNC[C@H]21 725255479 537922996 /nfs/dbraw/zinc/92/29/96/537922996.db2.gz UBOUSVNQJPFSSO-VHSXEESVSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)([NH3+])[C@H]1CN2CCC1CC2 725261298 537924530 /nfs/dbraw/zinc/92/45/30/537924530.db2.gz DDOMMMHJFYLUSM-VIFPVBQESA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)([NH3+])[C@@H]1CN2CCC1CC2 725261297 537924632 /nfs/dbraw/zinc/92/46/32/537924632.db2.gz DDOMMMHJFYLUSM-SECBINFHSA-N 1 3 168.284 1.066 10 0 ADAEHO C1CC(NC[C@@H]2C[NH2+]CC23CCC3)C1 725268819 537928431 /nfs/dbraw/zinc/92/84/31/537928431.db2.gz CAFGZIKPRMNRLK-JTQLQIEISA-N 1 3 194.322 1.518 10 0 ADAEHO C1CC2(C1)C[NH2+]C[C@@H]2CNC1CC1 725269446 537928445 /nfs/dbraw/zinc/92/84/45/537928445.db2.gz UGRBQQQXKJCXFS-SECBINFHSA-N 1 3 180.295 1.128 10 0 ADAEHO C1CC2(C1)C[NH2+]C[C@H]2CNC1CC1 725269447 537928484 /nfs/dbraw/zinc/92/84/84/537928484.db2.gz UGRBQQQXKJCXFS-VIFPVBQESA-N 1 3 180.295 1.128 10 0 ADAEHO CCC[N@@H+]1CCCCCNCCC1 725262230 537928890 /nfs/dbraw/zinc/92/88/90/537928890.db2.gz HAUPKLKRRBVBHM-UHFFFAOYSA-N 1 3 184.327 1.862 10 0 ADAEHO CCC[N@H+]1CCCCCNCCC1 725262230 537928900 /nfs/dbraw/zinc/92/89/00/537928900.db2.gz HAUPKLKRRBVBHM-UHFFFAOYSA-N 1 3 184.327 1.862 10 0 ADAEHO CCCN1CCCCC[NH2+]CCC1 725262230 537928910 /nfs/dbraw/zinc/92/89/10/537928910.db2.gz HAUPKLKRRBVBHM-UHFFFAOYSA-N 1 3 184.327 1.862 10 0 ADAEHO C1CC(NC[C@H]2C[NH2+]CC23CCC3)C1 725268820 537929090 /nfs/dbraw/zinc/92/90/90/537929090.db2.gz CAFGZIKPRMNRLK-SNVBAGLBSA-N 1 3 194.322 1.518 10 0 ADAEHO CCN1CCCCCC[NH2+]CCC1 725262404 537929181 /nfs/dbraw/zinc/92/91/81/537929181.db2.gz QPAUEFVKEAZZCC-UHFFFAOYSA-N 1 3 184.327 1.862 10 0 ADAEHO CCN1CCCCC[NH2+]CCC1 725262413 537930726 /nfs/dbraw/zinc/93/07/26/537930726.db2.gz NCVPMXIARZKUAE-UHFFFAOYSA-N 1 3 170.300 1.472 10 0 ADAEHO CC(C)NC[C@@]12CCCC[C@H]1[NH2+]CC2 725271010 537931492 /nfs/dbraw/zinc/93/14/92/537931492.db2.gz VEEZKIYGXUYKTN-NEPJUHHUSA-N 1 3 196.338 1.907 10 0 ADAEHO CCNC[C@]12CCCC[C@@H]1[NH2+]CC2 725270584 537931713 /nfs/dbraw/zinc/93/17/13/537931713.db2.gz PVKHEZYLLHXHNT-WDEREUQCSA-N 1 3 182.311 1.518 10 0 ADAEHO CNC[C@]12CCCC[C@H]1[NH2+]CC2 725270688 537932187 /nfs/dbraw/zinc/93/21/87/537932187.db2.gz QWEISGASWWYFBM-NXEZZACHSA-N 1 3 168.284 1.128 10 0 ADAEHO CC(C)NC[C@@]12CCCC[C@@H]1[NH2+]CC2 725271012 537932165 /nfs/dbraw/zinc/93/21/65/537932165.db2.gz VEEZKIYGXUYKTN-RYUDHWBXSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)NC[C@]12CCCC[C@H]1[NH2+]CC2 725271013 537932248 /nfs/dbraw/zinc/93/22/48/537932248.db2.gz VEEZKIYGXUYKTN-VXGBXAGGSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)C[NH2+][C@]12CCCC[C@H]1NCC2 725272446 537932289 /nfs/dbraw/zinc/93/22/89/537932289.db2.gz QEQFZGQHKCBSIA-NEPJUHHUSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)NC[C@](C)([NH3+])C(C)C 725271047 537932446 /nfs/dbraw/zinc/93/24/46/537932446.db2.gz YSYBDDREZOKYAR-VIFPVBQESA-N 1 3 158.289 1.358 10 0 ADAEHO CCNC[C@@]12CCCC[C@@H]1[NH2+]CC2 725270583 537932735 /nfs/dbraw/zinc/93/27/35/537932735.db2.gz PVKHEZYLLHXHNT-QWRGUYRKSA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)C[NH2+][C@@]12CCCC[C@@H]1NCC2 725272447 537932792 /nfs/dbraw/zinc/93/27/92/537932792.db2.gz QEQFZGQHKCBSIA-NWDGAFQWSA-N 1 3 196.338 1.907 10 0 ADAEHO CCNC[C@@]12CCCC[C@H]1[NH2+]CC2 725270582 537932947 /nfs/dbraw/zinc/93/29/47/537932947.db2.gz PVKHEZYLLHXHNT-MNOVXSKESA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)C[NH2+][C@@]12CCCC[C@H]1NCC2 725272449 537933198 /nfs/dbraw/zinc/93/31/98/537933198.db2.gz QEQFZGQHKCBSIA-VXGBXAGGSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)C[NH2+][C@]12CCCC[C@@H]1NCC2 725272448 537933803 /nfs/dbraw/zinc/93/38/03/537933803.db2.gz QEQFZGQHKCBSIA-RYUDHWBXSA-N 1 3 196.338 1.907 10 0 ADAEHO CCNC[C@]12CCCC[C@H]1[NH2+]CC2 725270581 537933852 /nfs/dbraw/zinc/93/38/52/537933852.db2.gz PVKHEZYLLHXHNT-GHMZBOCLSA-N 1 3 182.311 1.518 10 0 ADAEHO CNC[C@@]12CCCC[C@H]1[NH2+]CC2 725270691 537934142 /nfs/dbraw/zinc/93/41/42/537934142.db2.gz QWEISGASWWYFBM-ZJUUUORDSA-N 1 3 168.284 1.128 10 0 ADAEHO CNC[C@]12CCCC[C@@H]1[NH2+]CC2 725270690 537934286 /nfs/dbraw/zinc/93/42/86/537934286.db2.gz QWEISGASWWYFBM-VHSXEESVSA-N 1 3 168.284 1.128 10 0 ADAEHO CNC[C@@]12CCCC[C@@H]1[NH2+]CC2 725270689 537934454 /nfs/dbraw/zinc/93/44/54/537934454.db2.gz QWEISGASWWYFBM-UWVGGRQHSA-N 1 3 168.284 1.128 10 0 ADAEHO CC(C)NC[C@]12CCCC[C@@H]1[NH2+]CC2 725271011 537934500 /nfs/dbraw/zinc/93/45/00/537934500.db2.gz VEEZKIYGXUYKTN-NWDGAFQWSA-N 1 3 196.338 1.907 10 0 ADAEHO CC(C)NC[C@@](C)([NH3+])C(C)C 725271044 537934727 /nfs/dbraw/zinc/93/47/27/537934727.db2.gz YSYBDDREZOKYAR-SECBINFHSA-N 1 3 158.289 1.358 10 0 ADAEHO C1CC[C@@]2([NH2+]CC3CC3)CCN[C@H]2C1 725272743 537935583 /nfs/dbraw/zinc/93/55/83/537935583.db2.gz UNKQZWUZMPLJDR-NWDGAFQWSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CC[C@]2([NH2+]CC3CC3)CCN[C@@H]2C1 725272741 537936077 /nfs/dbraw/zinc/93/60/77/537936077.db2.gz UNKQZWUZMPLJDR-NEPJUHHUSA-N 1 3 194.322 1.661 10 0 ADAEHO C1CC[C@]2([NH2+]CC3CC3)CCN[C@H]2C1 725272745 537936092 /nfs/dbraw/zinc/93/60/92/537936092.db2.gz UNKQZWUZMPLJDR-RYUDHWBXSA-N 1 3 194.322 1.661 10 0 ADAEHO CCC[NH2+][C@]12CCCC[C@H]1NCC2 725272705 537936689 /nfs/dbraw/zinc/93/66/89/537936689.db2.gz UEKHOACFHOCFAD-MNOVXSKESA-N 1 3 182.311 1.661 10 0 ADAEHO CCC[NH2+][C@]12CCCC[C@@H]1NCC2 725272707 537937214 /nfs/dbraw/zinc/93/72/14/537937214.db2.gz UEKHOACFHOCFAD-QWRGUYRKSA-N 1 3 182.311 1.661 10 0 ADAEHO C1CC[C@@]2([NH2+]CC3CC3)CCN[C@@H]2C1 725272746 537937345 /nfs/dbraw/zinc/93/73/45/537937345.db2.gz UNKQZWUZMPLJDR-VXGBXAGGSA-N 1 3 194.322 1.661 10 0 ADAEHO CCC[NH2+][C@@]12CCCC[C@H]1NCC2 725272704 537937374 /nfs/dbraw/zinc/93/73/74/537937374.db2.gz UEKHOACFHOCFAD-GHMZBOCLSA-N 1 3 182.311 1.661 10 0 ADAEHO CCC[NH2+][C@@]12CCCC[C@@H]1NCC2 725272709 537937467 /nfs/dbraw/zinc/93/74/67/537937467.db2.gz UEKHOACFHOCFAD-WDEREUQCSA-N 1 3 182.311 1.661 10 0 ADAEHO CN1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 107187113 537956911 /nfs/dbraw/zinc/95/69/11/537956911.db2.gz JZMXDNOGGKYVSM-SNVBAGLBSA-N 1 3 196.338 1.988 10 0 ADAEHO CN1CC[C@H]([NH3+])C12CCC(C)(C)CC2 107187115 537957142 /nfs/dbraw/zinc/95/71/42/537957142.db2.gz JZMXDNOGGKYVSM-JTQLQIEISA-N 1 3 196.338 1.988 10 0 ADAEHO CC1CCC2(CC1)[C@@H]([NH3+])CCN2C 107170974 537957663 /nfs/dbraw/zinc/95/76/63/537957663.db2.gz GZDJUXVPLCHDEM-YVNMAJEFSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1CCC2(CC1)[C@H]([NH3+])CCN2C 107170972 537957858 /nfs/dbraw/zinc/95/78/58/537957858.db2.gz GZDJUXVPLCHDEM-HSOILSAZSA-N 1 3 182.311 1.598 10 0 ADAEHO CN(C)Cc1cc(Cl)cc(C[NH3+])c1 114256132 537968696 /nfs/dbraw/zinc/96/86/96/537968696.db2.gz FFZHTTRRFFWYJD-UHFFFAOYSA-N 1 3 198.697 1.860 10 0 ADAEHO CNC[C@@H](C[NH3+])c1cccc(C)c1 149167362 538007567 /nfs/dbraw/zinc/00/75/67/538007567.db2.gz JETJBPUMVZYHRW-LLVKDONJSA-N 1 3 178.279 1.257 10 0 ADAEHO CNC[C@H](C[NH3+])c1cccc(C)c1 149167513 538010614 /nfs/dbraw/zinc/01/06/14/538010614.db2.gz JETJBPUMVZYHRW-NSHDSACASA-N 1 3 178.279 1.257 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 156083658 538011845 /nfs/dbraw/zinc/01/18/45/538011845.db2.gz IHSFMLQXQNHMHC-KKOKHZNYSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 156083658 538011851 /nfs/dbraw/zinc/01/18/51/538011851.db2.gz IHSFMLQXQNHMHC-KKOKHZNYSA-N 1 3 194.322 1.611 10 0 ADAEHO CCN(C)Cc1cc(F)cc(C[NH3+])c1 162822295 538076816 /nfs/dbraw/zinc/07/68/16/538076816.db2.gz WULZBSDRQKRLGZ-UHFFFAOYSA-N 1 3 196.269 1.736 10 0 ADAEHO CN(C)Cc1cc(F)cc(C[NH3+])c1 162818588 538079113 /nfs/dbraw/zinc/07/91/13/538079113.db2.gz UQBFALRVOJVJMT-UHFFFAOYSA-N 1 3 182.242 1.346 10 0 ADAEHO C[NH2+]CCCN(C(C)C)C1CC1 201324107 538184984 /nfs/dbraw/zinc/18/49/84/538184984.db2.gz FRDSCMAZTNEUFN-UHFFFAOYSA-N 1 3 170.300 1.469 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@H]1C1CCCCC1 211440820 538187292 /nfs/dbraw/zinc/18/72/92/538187292.db2.gz NRSKKSQQDIJKRX-QWRGUYRKSA-N 1 3 182.311 1.361 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 211441034 538187585 /nfs/dbraw/zinc/18/75/85/538187585.db2.gz NRSKKSQQDIJKRX-GHMZBOCLSA-N 1 3 182.311 1.361 10 0 ADAEHO NC[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 211440965 538187663 /nfs/dbraw/zinc/18/76/63/538187663.db2.gz NRSKKSQQDIJKRX-MNOVXSKESA-N 1 3 182.311 1.361 10 0 ADAEHO NC[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 211440885 538188922 /nfs/dbraw/zinc/18/89/22/538188922.db2.gz NRSKKSQQDIJKRX-WDEREUQCSA-N 1 3 182.311 1.361 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C1[NH+]1CCCCC1 221289088 538195814 /nfs/dbraw/zinc/19/58/14/538195814.db2.gz JKBKLFKGSJNQLB-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNC[C@H](C)C1[NH+]1CCCCC1 221289037 538196199 /nfs/dbraw/zinc/19/61/99/538196199.db2.gz JKBKLFKGSJNQLB-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]C[C@H]1CCCN1 232624318 538226522 /nfs/dbraw/zinc/22/65/22/538226522.db2.gz ALOWCGDSCRYOKL-WDEREUQCSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCN1 232623540 538227686 /nfs/dbraw/zinc/22/76/86/538227686.db2.gz ALOWCGDSCRYOKL-QWRGUYRKSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCN1 232585736 538227835 /nfs/dbraw/zinc/22/78/35/538227835.db2.gz ALOWCGDSCRYOKL-GHMZBOCLSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCN1 232585049 538227995 /nfs/dbraw/zinc/22/79/95/538227995.db2.gz ALOWCGDSCRYOKL-MNOVXSKESA-N 1 3 184.327 1.763 10 0 ADAEHO CCC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 251268737 538260011 /nfs/dbraw/zinc/26/00/11/538260011.db2.gz DVKYRRMXIRPPHB-SRVKXCTJSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 252100374 538266764 /nfs/dbraw/zinc/26/67/64/538266764.db2.gz IHSFMLQXQNHMHC-RHYQMDGZSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 252100374 538266769 /nfs/dbraw/zinc/26/67/69/538266769.db2.gz IHSFMLQXQNHMHC-RHYQMDGZSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 252100373 538267297 /nfs/dbraw/zinc/26/72/97/538267297.db2.gz IHSFMLQXQNHMHC-KXNHARMFSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 252100373 538267305 /nfs/dbraw/zinc/26/73/05/538267305.db2.gz IHSFMLQXQNHMHC-KXNHARMFSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 252100375 538268629 /nfs/dbraw/zinc/26/86/29/538268629.db2.gz IHSFMLQXQNHMHC-WYUUTHIRSA-N 1 3 194.322 1.611 10 0 ADAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 252100375 538268632 /nfs/dbraw/zinc/26/86/32/538268632.db2.gz IHSFMLQXQNHMHC-WYUUTHIRSA-N 1 3 194.322 1.611 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CCN[C@H](C)C1 252964686 538284786 /nfs/dbraw/zinc/28/47/86/538284786.db2.gz WSDCGVVBLQMADT-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CCN[C@H](C)C1 252964686 538284792 /nfs/dbraw/zinc/28/47/92/538284792.db2.gz WSDCGVVBLQMADT-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@H+](CC)[C@H]1CCN[C@H](C)C1 252964688 538285256 /nfs/dbraw/zinc/28/52/56/538285256.db2.gz WSDCGVVBLQMADT-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](CC)[C@H]1CCN[C@H](C)C1 252964688 538285262 /nfs/dbraw/zinc/28/52/62/538285262.db2.gz WSDCGVVBLQMADT-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[NH2+]Cc1cccc2c1CNC2 258160243 538288313 /nfs/dbraw/zinc/28/83/13/538288313.db2.gz NPAZTXIWORXJOB-UHFFFAOYSA-N 1 3 176.263 1.399 10 0 ADAEHO CC(C)[NH2+]Cc1cccc2c1CNC2 258351442 538288615 /nfs/dbraw/zinc/28/86/15/538288615.db2.gz ZLLPDFDXIMPRCB-UHFFFAOYSA-N 1 3 190.290 1.788 10 0 ADAEHO CCC1CCC([NH3+])(C2=NCCN2)CC1 306254676 538301462 /nfs/dbraw/zinc/30/14/62/538301462.db2.gz ULALOHOKLAEHCB-UHFFFAOYSA-N 1 3 195.310 1.286 10 0 ADAEHO C[NH2+][C@H](C)CN[C@H](C)CC(C)C 379325594 538347355 /nfs/dbraw/zinc/34/73/55/538347355.db2.gz CZXPAOODRHPHKH-NXEZZACHSA-N 1 3 172.316 1.619 10 0 ADAEHO C[NH2+][C@H](C)CN[C@@H](C)CC(C)C 379325596 538347904 /nfs/dbraw/zinc/34/79/04/538347904.db2.gz CZXPAOODRHPHKH-VHSXEESVSA-N 1 3 172.316 1.619 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]CC[C@@H](C)N 379327240 538347942 /nfs/dbraw/zinc/34/79/42/538347942.db2.gz JUHGFHYFPPABBV-NXEZZACHSA-N 1 3 172.316 1.748 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@@H](C)CC(C)C 379325595 538348588 /nfs/dbraw/zinc/34/85/88/538348588.db2.gz CZXPAOODRHPHKH-UWVGGRQHSA-N 1 3 172.316 1.619 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]CC[C@@H](C)N 379327243 538348810 /nfs/dbraw/zinc/34/88/10/538348810.db2.gz JUHGFHYFPPABBV-ZJUUUORDSA-N 1 3 172.316 1.748 10 0 ADAEHO C[NH2+][C@@H](C)CN[C@H](C)CC(C)C 379325597 538348926 /nfs/dbraw/zinc/34/89/26/538348926.db2.gz CZXPAOODRHPHKH-ZJUUUORDSA-N 1 3 172.316 1.619 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)CN 379333243 538350022 /nfs/dbraw/zinc/35/00/22/538350022.db2.gz JTJXUOCCDADQBT-VHSXEESVSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]C[C@@H](C)CN 379333242 538350925 /nfs/dbraw/zinc/35/09/25/538350925.db2.gz JTJXUOCCDADQBT-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)C[C@@H](C)[NH2+]C[C@H](C)CN 379333241 538351008 /nfs/dbraw/zinc/35/10/08/538351008.db2.gz JTJXUOCCDADQBT-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)C[C@H](C)[NH2+]C[C@H](C)CN 379333244 538353059 /nfs/dbraw/zinc/35/30/59/538353059.db2.gz JTJXUOCCDADQBT-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO CN(C)CCC[NH2+]CC1(F)CC1 379337581 538353719 /nfs/dbraw/zinc/35/37/19/538353719.db2.gz YEGMRZOLGYYPQA-UHFFFAOYSA-N 1 3 174.263 1.030 10 0 ADAEHO CCCN(C)Cc1cncc(C[NH3+])c1 669379011 538444903 /nfs/dbraw/zinc/44/49/03/538444903.db2.gz SCANOTHKNALYHR-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO NCc1c(Cl)ccc(C[NH3+])c1F 669378695 538444931 /nfs/dbraw/zinc/44/49/31/538444931.db2.gz MXFGAIIIVUKQQC-UHFFFAOYSA-N 1 3 188.633 1.397 10 0 ADAEHO CN(C[C@H]1CCCC[NH2+]C1)C1CC1 669378749 538444925 /nfs/dbraw/zinc/44/49/25/538444925.db2.gz LEKJUVRHAXRXBH-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CN(C[C@@H]1CCCC[NH2+]C1)C1CC1 669378750 538444858 /nfs/dbraw/zinc/44/48/58/538444858.db2.gz LEKJUVRHAXRXBH-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)N(C)C[C@@H]1CCCC[NH2+]C1 669378390 538444864 /nfs/dbraw/zinc/44/48/64/538444864.db2.gz CQKFJSNMPVLDJV-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)N(C)C[C@H]1CCCC[NH2+]C1 669378391 538444897 /nfs/dbraw/zinc/44/48/97/538444897.db2.gz CQKFJSNMPVLDJV-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CCCN(C)C[C@@H]1CCCC[NH2+]C1 669378953 538445158 /nfs/dbraw/zinc/44/51/58/538445158.db2.gz QGZPQYSOMKDEPK-LLVKDONJSA-N 1 3 184.327 1.718 10 0 ADAEHO CCCN(C)C[C@H]1CCCC[NH2+]C1 669378954 538445191 /nfs/dbraw/zinc/44/51/91/538445191.db2.gz QGZPQYSOMKDEPK-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC(C)N(C)Cc1cncc(C[NH3+])c1 669379163 538445260 /nfs/dbraw/zinc/44/52/60/538445260.db2.gz VFKPSVAFMHABKL-UHFFFAOYSA-N 1 3 193.294 1.381 10 0 ADAEHO N[C@H]1c2ccccc2CC[C@H]1C[NH3+] 669381647 538445528 /nfs/dbraw/zinc/44/55/28/538445528.db2.gz QHGFIWRCOUNYHP-GXSJLCMTSA-N 1 3 176.263 1.208 10 0 ADAEHO N[C@@H]1c2ccccc2CC[C@@H]1C[NH3+] 669381648 538445894 /nfs/dbraw/zinc/44/58/94/538445894.db2.gz QHGFIWRCOUNYHP-KOLCDFICSA-N 1 3 176.263 1.208 10 0 ADAEHO N[C@@H]1c2ccccc2CC[C@H]1C[NH3+] 669381650 538445928 /nfs/dbraw/zinc/44/59/28/538445928.db2.gz QHGFIWRCOUNYHP-ONGXEEELSA-N 1 3 176.263 1.208 10 0 ADAEHO N[C@H]1c2ccccc2CC[C@@H]1C[NH3+] 669381649 538446070 /nfs/dbraw/zinc/44/60/70/538446070.db2.gz QHGFIWRCOUNYHP-MWLCHTKSSA-N 1 3 176.263 1.208 10 0 ADAEHO CNC[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 675051001 538447429 /nfs/dbraw/zinc/44/74/29/538447429.db2.gz GEDGIVOQAUFBRI-VXGBXAGGSA-N 1 3 196.338 1.622 10 0 ADAEHO CNC[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 675050999 538447452 /nfs/dbraw/zinc/44/74/52/538447452.db2.gz GEDGIVOQAUFBRI-NWDGAFQWSA-N 1 3 196.338 1.622 10 0 ADAEHO CNC[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 675050998 538447567 /nfs/dbraw/zinc/44/75/67/538447567.db2.gz GEDGIVOQAUFBRI-NEPJUHHUSA-N 1 3 196.338 1.622 10 0 ADAEHO CC(C)NCc1cnc(CC[NH3+])s1 675051064 538447606 /nfs/dbraw/zinc/44/76/06/538447606.db2.gz JHXCUXIPPXJWIA-UHFFFAOYSA-N 1 3 199.323 1.142 10 0 ADAEHO CNC[C@H]1C[NH2+]C[C@H]1C1CCCCC1 675051000 538447619 /nfs/dbraw/zinc/44/76/19/538447619.db2.gz GEDGIVOQAUFBRI-RYUDHWBXSA-N 1 3 196.338 1.622 10 0 ADAEHO CC[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 216037814 541316771 /nfs/dbraw/zinc/31/67/71/541316771.db2.gz FQDJGWXKUQAZCK-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 216037814 541316775 /nfs/dbraw/zinc/31/67/75/541316775.db2.gz FQDJGWXKUQAZCK-GUBZILKMSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)NC[C@@H](C[NH3+])C(F)(F)F 219637607 541318213 /nfs/dbraw/zinc/31/82/13/541318213.db2.gz BINSXTMERCXHFQ-ZCFIWIBFSA-N 1 3 184.205 1.122 10 0 ADAEHO CC(C)[NH2+]C[C@@H](CN)C(F)(F)F 219637607 541318217 /nfs/dbraw/zinc/31/82/17/541318217.db2.gz BINSXTMERCXHFQ-ZCFIWIBFSA-N 1 3 184.205 1.122 10 0 ADAEHO CC(C)NC[C@H](C[NH3+])C(F)(F)F 219637676 541318360 /nfs/dbraw/zinc/31/83/60/541318360.db2.gz BINSXTMERCXHFQ-LURJTMIESA-N 1 3 184.205 1.122 10 0 ADAEHO CC(C)[NH2+]C[C@H](CN)C(F)(F)F 219637676 541318364 /nfs/dbraw/zinc/31/83/64/541318364.db2.gz BINSXTMERCXHFQ-LURJTMIESA-N 1 3 184.205 1.122 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 306347316 757061625 /nfs/dbraw/zinc/06/16/25/757061625.db2.gz RXDDLLACZAXBDE-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@H]([NH+]2CCC(C)(N)CC2)C1 306347318 757061730 /nfs/dbraw/zinc/06/17/30/757061730.db2.gz RXDDLLACZAXBDE-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1CC[C@H]([NH+]2CCC(C)(N)CC2)C1 306347317 757061928 /nfs/dbraw/zinc/06/19/28/757061928.db2.gz RXDDLLACZAXBDE-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 306347319 757062612 /nfs/dbraw/zinc/06/26/12/757062612.db2.gz RXDDLLACZAXBDE-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCCF 716771610 674026346 /nfs/dbraw/zinc/02/63/46/674026346.db2.gz CFSZPDPHNIGVDO-ZJUUUORDSA-N 1 3 188.290 1.133 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)NC[C@H]1CC1(C)C 235458230 571917070 /nfs/dbraw/zinc/91/70/70/571917070.db2.gz CLJWSFVUDBGDIF-NXEZZACHSA-N 1 3 196.338 1.763 10 0 ADAEHO CC[NH2+]CCCN(CC1CC1)C1CC1 70635613 571713917 /nfs/dbraw/zinc/71/39/17/571713917.db2.gz ZHZYZPMSVWEPEJ-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@@H](C1CC1)[C@@H]1CCCCN(C)C1 214177004 571727170 /nfs/dbraw/zinc/72/71/70/571727170.db2.gz DEYNYMQWERQKAT-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CN1CC[C@@H]1[C@@H](C[NH3+])C1CCCCC1 214179766 571727316 /nfs/dbraw/zinc/72/73/16/571727316.db2.gz KNHDKPXKWVZIOB-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CN1CC[C@H]1[C@@H](C[NH3+])C1CCCCC1 214179815 571727324 /nfs/dbraw/zinc/72/73/24/571727324.db2.gz KNHDKPXKWVZIOB-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C)CN(C)CC[C@H](C)[NH2+]C 251951907 571825466 /nfs/dbraw/zinc/82/54/66/571825466.db2.gz UORGSGFDIKBLFL-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C)C[N@H+](C)CC[C@H](C)NC 251951907 571825469 /nfs/dbraw/zinc/82/54/69/571825469.db2.gz UORGSGFDIKBLFL-QWRGUYRKSA-N 1 3 186.343 1.962 10 0 ADAEHO CNCC[C@@H](C)[N@@H+]1CCCC[C@H]1C 252182659 571833444 /nfs/dbraw/zinc/83/34/44/571833444.db2.gz QHDZJLREYXTQDE-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CNCC[C@@H](C)[N@H+]1CCCC[C@H]1C 252182659 571833445 /nfs/dbraw/zinc/83/34/45/571833445.db2.gz QHDZJLREYXTQDE-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO COC1CC(NCCC2([NH3+])CCC2)C1 234680921 571875815 /nfs/dbraw/zinc/87/58/15/571875815.db2.gz ODTJQMIQFDIOPB-UHFFFAOYSA-N 1 3 198.310 1.025 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1C[C@H](NC)C1CC1 68894746 572001436 /nfs/dbraw/zinc/00/14/36/572001436.db2.gz AERRWSZGMNUXKE-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@H+]1C[C@H](NC)C1CC1 68894746 572001439 /nfs/dbraw/zinc/00/14/39/572001439.db2.gz AERRWSZGMNUXKE-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H](C[NH+]1C[C@@H]2CC[C@H]2C1)C1CC1 711129923 571903988 /nfs/dbraw/zinc/90/39/88/571903988.db2.gz QVDHODVOPKWISU-SDDRHHMPSA-N 1 3 194.322 1.326 10 0 ADAEHO CC(C)CCN(C)[C@H](C)CC[NH3+] 42456456 572017291 /nfs/dbraw/zinc/01/72/91/572017291.db2.gz HQMJZECVYZUOHX-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@H]1C[C@@H]2CN(C)CCC[C@@H]2[NH2+]1 76596905 571953976 /nfs/dbraw/zinc/95/39/76/571953976.db2.gz NXTRMSYIDDXMES-BBBLOLIVSA-N 1 3 168.284 1.079 10 0 ADAEHO CCC(C)(C)N(C)C[C@H]1C[NH2+]C[C@@H]1C 69015536 572021433 /nfs/dbraw/zinc/02/14/33/572021433.db2.gz HHMWDUKDQZQNIC-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CN(CCCC[NH3+])Cc1ccsc1 35719403 572034975 /nfs/dbraw/zinc/03/49/75/572034975.db2.gz WXNMLGDZVWXDBY-UHFFFAOYSA-N 1 3 198.335 1.919 10 0 ADAEHO CC[C@H]1CN(C/C=C/C[NH3+])CCCO1 300829432 571973480 /nfs/dbraw/zinc/97/34/80/571973480.db2.gz FCQXATNKWZFQSW-UFFNRZRYSA-N 1 3 198.310 1.002 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]CC[C@@H](C)N 81069085 571973485 /nfs/dbraw/zinc/97/34/85/571973485.db2.gz KJTUIMWALOURMD-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@H]1CCCN1 81068144 571974229 /nfs/dbraw/zinc/97/42/29/571974229.db2.gz GECIDQFBBYAUJK-GHMZBOCLSA-N 1 3 184.327 1.620 10 0 ADAEHO CC(C)[C@H](C)C[NH2+]C[C@@H]1CCCN1 81068138 571974236 /nfs/dbraw/zinc/97/42/36/571974236.db2.gz GECIDQFBBYAUJK-MNOVXSKESA-N 1 3 184.327 1.620 10 0 ADAEHO C[NH2+][C@@H](C)CNC[C@H](C)C(C)C 81079667 571974249 /nfs/dbraw/zinc/97/42/49/571974249.db2.gz CHGAEXGTOXOWBP-UWVGGRQHSA-N 1 3 172.316 1.476 10 0 ADAEHO C[C@@](N)(c1cccc(F)c1)C1C[NH2+]C1 687695139 571979031 /nfs/dbraw/zinc/97/90/31/571979031.db2.gz JWOCQNZKCNNUFX-LLVKDONJSA-N 1 3 194.253 1.219 10 0 ADAEHO C[C@](N)(c1cccc(F)c1)C1C[NH2+]C1 687695140 571979344 /nfs/dbraw/zinc/97/93/44/571979344.db2.gz JWOCQNZKCNNUFX-NSHDSACASA-N 1 3 194.253 1.219 10 0 ADAEHO C[C@H]1CCC[C@@]([NH3+])(C2CNC2)C1 687695115 571979794 /nfs/dbraw/zinc/97/97/94/571979794.db2.gz FWZRXBHSGWEZIT-WPRPVWTQSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@@H]1CCC[C@]([NH3+])(C2CNC2)C1 687695112 571979860 /nfs/dbraw/zinc/97/98/60/571979860.db2.gz FWZRXBHSGWEZIT-PSASIEDQSA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@](N)(c1ccccc1)C1C[NH2+]C1 687695127 571979921 /nfs/dbraw/zinc/97/99/21/571979921.db2.gz GMNKPVAMSTUFAH-NSHDSACASA-N 1 3 176.263 1.080 10 0 ADAEHO C[C@@H]1CCC[C@@]([NH3+])(C2CNC2)C1 687695113 571979926 /nfs/dbraw/zinc/97/99/26/571979926.db2.gz FWZRXBHSGWEZIT-SCZZXKLOSA-N 1 3 168.284 1.113 10 0 ADAEHO CNc1ccccc1C[NH2+][C@H](C)CN 234480425 571982560 /nfs/dbraw/zinc/98/25/60/571982560.db2.gz PYEDRYNSHIHFNF-SECBINFHSA-N 1 3 193.294 1.165 10 0 ADAEHO C[C@@H]1CCCC[C@]1(N)[C@H]1C=CC[NH2+]1 687695445 571983934 /nfs/dbraw/zinc/98/39/34/571983934.db2.gz XTXXLTNQLXTSLQ-GMTAPVOTSA-N 1 3 180.295 1.422 10 0 ADAEHO C[C@H]1C[NH2+]C[C@H]1CN[C@@H]1CC1(C)C 82560797 572050024 /nfs/dbraw/zinc/05/00/24/572050024.db2.gz IIBWWXQALKNWOY-LPEHRKFASA-N 1 3 182.311 1.230 10 0 ADAEHO Cc1cnc(CNCCCC[NH3+])s1 235808452 571986447 /nfs/dbraw/zinc/98/64/47/571986447.db2.gz KSYXJRVNLQAOAO-UHFFFAOYSA-N 1 3 199.323 1.280 10 0 ADAEHO C[C@@H]1C[C@H](C(C)(C)C)NCC[NH2+]1 196165129 571987623 /nfs/dbraw/zinc/98/76/23/571987623.db2.gz PMNUDVUTKPIKPH-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO C[NH2+]C1CCN(C[C@H]2CC2(C)C)CC1 234346175 571992904 /nfs/dbraw/zinc/99/29/04/571992904.db2.gz HTYWDDJSRNCNTE-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC1CC[NH+](C[C@H]2CC2(C)C)CC1 234346175 571992905 /nfs/dbraw/zinc/99/29/05/571992905.db2.gz HTYWDDJSRNCNTE-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CC[C@H]1C2 687771920 571993320 /nfs/dbraw/zinc/99/33/20/571993320.db2.gz NPANQIGYDGDEFU-NOOOWODRSA-N 1 3 194.322 1.611 10 0 ADAEHO CN[C@H]1CCC[C@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771920 571993321 /nfs/dbraw/zinc/99/33/21/571993321.db2.gz NPANQIGYDGDEFU-NOOOWODRSA-N 1 3 194.322 1.611 10 0 ADAEHO C[NH2+]CCN[C@H]1CCC[C@H](C)CC1 234385576 571995381 /nfs/dbraw/zinc/99/53/81/571995381.db2.gz COKMXDORSPCVGK-QWRGUYRKSA-N 1 3 184.327 1.764 10 0 ADAEHO CN1CC[C@H](C[NH2+]C/C=C/Cl)C1 234387944 571998011 /nfs/dbraw/zinc/99/80/11/571998011.db2.gz XFVYSBLXISRZIL-HDMKULJXSA-N 1 3 188.702 1.280 10 0 ADAEHO CC(C)=CCN[C@@H]1C[C@H]([NH3+])C12CCC2 405253852 757197471 /nfs/dbraw/zinc/19/74/71/757197471.db2.gz JLVOXTBXPWYDAG-WDEREUQCSA-N 1 3 194.322 1.812 10 0 ADAEHO CCN[C@H](C)[C@@]1([NH3+])CCC[C@H](C)C1 687782583 572103266 /nfs/dbraw/zinc/10/32/66/572103266.db2.gz NTNLPTGSUKZSBC-HBNTYKKESA-N 1 3 184.327 1.892 10 0 ADAEHO CC1(C)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 405255084 757199797 /nfs/dbraw/zinc/19/97/97/757199797.db2.gz KFRBIJCDVIWLQM-BBBLOLIVSA-N 1 3 194.322 1.644 10 0 ADAEHO CC(C)=CCN[C@H]1C[C@H]([NH3+])C12CCC2 405253851 757201349 /nfs/dbraw/zinc/20/13/49/757201349.db2.gz JLVOXTBXPWYDAG-QWRGUYRKSA-N 1 3 194.322 1.812 10 0 ADAEHO CC(C)=CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 405253848 757202665 /nfs/dbraw/zinc/20/26/65/757202665.db2.gz JLVOXTBXPWYDAG-GHMZBOCLSA-N 1 3 194.322 1.812 10 0 ADAEHO C/C=C/CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405392323 757203807 /nfs/dbraw/zinc/20/38/07/757203807.db2.gz HBIBQWXVALIOJI-HLKOZVMDSA-N 1 3 180.295 1.422 10 0 ADAEHO C/C=C/CN[C@@H]1C[C@H]([NH3+])C12CCC2 405392329 757204083 /nfs/dbraw/zinc/20/40/83/757204083.db2.gz HBIBQWXVALIOJI-MDCNRGEUSA-N 1 3 180.295 1.422 10 0 ADAEHO CC/C=C/CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405430812 757204480 /nfs/dbraw/zinc/20/44/80/757204480.db2.gz SAVAUPHSEBTMSO-YIZUVKHSSA-N 1 3 194.322 1.812 10 0 ADAEHO CC1(C)C[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 405255087 757204745 /nfs/dbraw/zinc/20/47/45/757204745.db2.gz KFRBIJCDVIWLQM-UTLUCORTSA-N 1 3 194.322 1.644 10 0 ADAEHO CC1(C)C[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 405255085 757207530 /nfs/dbraw/zinc/20/75/30/757207530.db2.gz KFRBIJCDVIWLQM-GUBZILKMSA-N 1 3 194.322 1.644 10 0 ADAEHO C/C=C\CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405392326 757208094 /nfs/dbraw/zinc/20/80/94/757208094.db2.gz HBIBQWXVALIOJI-JAFKPYBISA-N 1 3 180.295 1.422 10 0 ADAEHO CC1(C)C[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 405255082 757208705 /nfs/dbraw/zinc/20/87/05/757208705.db2.gz KFRBIJCDVIWLQM-AEJSXWLSSA-N 1 3 194.322 1.644 10 0 ADAEHO CC/C=C\CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405430792 757208884 /nfs/dbraw/zinc/20/88/84/757208884.db2.gz SAVAUPHSEBTMSO-ANDSXOESSA-N 1 3 194.322 1.812 10 0 ADAEHO CC/C=C\CN[C@@H]1C[C@H]([NH3+])C12CCC2 405430798 757208941 /nfs/dbraw/zinc/20/89/41/757208941.db2.gz SAVAUPHSEBTMSO-CBZSPVTBSA-N 1 3 194.322 1.812 10 0 ADAEHO CC/C=C/CN[C@@H]1C[C@H]([NH3+])C12CCC2 405430804 757209333 /nfs/dbraw/zinc/20/93/33/757209333.db2.gz SAVAUPHSEBTMSO-MJKAUQOVSA-N 1 3 194.322 1.812 10 0 ADAEHO C/C=C\CN[C@@H]1C[C@H]([NH3+])C12CCC2 405392331 757210085 /nfs/dbraw/zinc/21/00/85/757210085.db2.gz HBIBQWXVALIOJI-YLBDSCSXSA-N 1 3 180.295 1.422 10 0 ADAEHO CC(C)=CCN[C@H]1C[C@@H]([NH3+])C12CCC2 405253849 757211239 /nfs/dbraw/zinc/21/12/39/757211239.db2.gz JLVOXTBXPWYDAG-MNOVXSKESA-N 1 3 194.322 1.812 10 0 ADAEHO CC[N@H+](CC[C@@H](C)N)CC1CC1 68946877 572003783 /nfs/dbraw/zinc/00/37/83/572003783.db2.gz ZNROSFIQKHTOJD-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)N)CC1CC1 68946877 572003785 /nfs/dbraw/zinc/00/37/85/572003785.db2.gz ZNROSFIQKHTOJD-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN(CC[C@@H](C)[NH3+])CC1CC1 68946877 572003786 /nfs/dbraw/zinc/00/37/86/572003786.db2.gz ZNROSFIQKHTOJD-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+](CC[C@H](C)NC)CC1CC1 68946656 572005997 /nfs/dbraw/zinc/00/59/97/572005997.db2.gz RDBOXOKKCUILSF-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+](CC[C@H](C)NC)CC1CC1 68946656 572005999 /nfs/dbraw/zinc/00/59/99/572005999.db2.gz RDBOXOKKCUILSF-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(CC[C@H](C)[NH2+]C)CC1CC1 68946656 572006000 /nfs/dbraw/zinc/00/60/00/572006000.db2.gz RDBOXOKKCUILSF-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CCC[C@@H]1CN 68946372 572006005 /nfs/dbraw/zinc/00/60/05/572006005.db2.gz CJGNXZBUJIHSFU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1CN 68946372 572006006 /nfs/dbraw/zinc/00/60/06/572006006.db2.gz CJGNXZBUJIHSFU-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@H+](CC[C@@H](C)NC)CC1CC1 68946653 572006029 /nfs/dbraw/zinc/00/60/29/572006029.db2.gz RDBOXOKKCUILSF-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@@H+](CC[C@@H](C)NC)CC1CC1 68946653 572006031 /nfs/dbraw/zinc/00/60/31/572006031.db2.gz RDBOXOKKCUILSF-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN(CC[C@@H](C)[NH2+]C)CC1CC1 68946653 572006033 /nfs/dbraw/zinc/00/60/33/572006033.db2.gz RDBOXOKKCUILSF-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H](C)CCN 68946350 572006345 /nfs/dbraw/zinc/00/63/45/572006345.db2.gz OWZUYLDHBNYKRU-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H](C)CCN 68946350 572006347 /nfs/dbraw/zinc/00/63/47/572006347.db2.gz OWZUYLDHBNYKRU-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@]1([NH3+])CCN(CC2CCCCC2)C1 405768463 757220489 /nfs/dbraw/zinc/22/04/89/757220489.db2.gz YXBPJFCGLMANPF-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CCNCCC[N@H+](CC)CC1CC1 68946888 572006369 /nfs/dbraw/zinc/00/63/69/572006369.db2.gz GARZQCGADNCEAF-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CCNCCC[N@@H+](CC)CC1CC1 68946888 572006372 /nfs/dbraw/zinc/00/63/72/572006372.db2.gz GARZQCGADNCEAF-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CC[NH2+]CCCN(CC)CC1CC1 68946888 572006374 /nfs/dbraw/zinc/00/63/74/572006374.db2.gz GARZQCGADNCEAF-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO CSCCC[N@@H+]1CC[C@](C)(N)C1 405844450 757220724 /nfs/dbraw/zinc/22/07/24/757220724.db2.gz ZBYLKFCMTKJQPJ-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO CSCCC[N@H+]1CC[C@](C)(N)C1 405844450 757220731 /nfs/dbraw/zinc/22/07/31/757220731.db2.gz ZBYLKFCMTKJQPJ-VIFPVBQESA-N 1 3 188.340 1.163 10 0 ADAEHO CSCCC[N@@H+]1CC[C@@](C)(N)C1 405844449 757221230 /nfs/dbraw/zinc/22/12/30/757221230.db2.gz ZBYLKFCMTKJQPJ-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO CSCCC[N@H+]1CC[C@@](C)(N)C1 405844449 757221254 /nfs/dbraw/zinc/22/12/54/757221254.db2.gz ZBYLKFCMTKJQPJ-SECBINFHSA-N 1 3 188.340 1.163 10 0 ADAEHO CCC[C@@H](C)CN1CC[C@](C)([NH3+])C1 405808810 757221360 /nfs/dbraw/zinc/22/13/60/757221360.db2.gz SGZKVETXRMBIPS-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)NC[C@H]1[NH2+]CCC[C@H]1C 300227909 572006422 /nfs/dbraw/zinc/00/64/22/572006422.db2.gz HUXQNFUUCUMKES-OUAUKWLOSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC(CC)CN1CC[C@@](C)([NH3+])C1 405825013 757222117 /nfs/dbraw/zinc/22/21/17/757222117.db2.gz YYRFGSDZZJBHKD-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C)CN1CC[C@@](C)([NH3+])C1 405808809 757222221 /nfs/dbraw/zinc/22/22/21/757222221.db2.gz SGZKVETXRMBIPS-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](C)CN1CC[C@@](C)([NH3+])C1 405827653 757223410 /nfs/dbraw/zinc/22/34/10/757223410.db2.gz RNAPONPLQMEFFY-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@]1([NH3+])CCN(C[C@H]2CC=CCC2)C1 405808242 757224196 /nfs/dbraw/zinc/22/41/96/757224196.db2.gz XHRNGNFBIFGZKH-NWDGAFQWSA-N 1 3 194.322 1.766 10 0 ADAEHO CC(C)(C)CCN1CC[C@](C)([NH3+])C1 405787236 757225041 /nfs/dbraw/zinc/22/50/41/757225041.db2.gz JOCSUHCPQZPUHQ-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@]1([NH3+])CCN(C[C@H]2CC=CCC2)C1 405808245 757225365 /nfs/dbraw/zinc/22/53/65/757225365.db2.gz XHRNGNFBIFGZKH-RYUDHWBXSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@H+](C)C1CCCC1 82801219 572115588 /nfs/dbraw/zinc/11/55/88/572115588.db2.gz XTYRRGAZFICOSQ-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@]1([NH3+])CCN(C[C@@H]2CC=CCC2)C1 405808238 757225551 /nfs/dbraw/zinc/22/55/51/757225551.db2.gz XHRNGNFBIFGZKH-NEPJUHHUSA-N 1 3 194.322 1.766 10 0 ADAEHO C[C@@H](C[C@@H](C)N)[N@@H+](C)C1CCCC1 82801219 572115590 /nfs/dbraw/zinc/11/55/90/572115590.db2.gz XTYRRGAZFICOSQ-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+](C)[C@@H](C)C1CC1 82801457 572115595 /nfs/dbraw/zinc/11/55/95/572115595.db2.gz GWHRBSCWODVZIZ-GUBZILKMSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801457 572115597 /nfs/dbraw/zinc/11/55/97/572115597.db2.gz GWHRBSCWODVZIZ-GUBZILKMSA-N 1 3 184.327 1.843 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H](C)C[C@@H](C)N 82801251 572115605 /nfs/dbraw/zinc/11/56/05/572115605.db2.gz NLNSREVBGLVXJS-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)N 82801251 572115606 /nfs/dbraw/zinc/11/56/06/572115606.db2.gz NLNSREVBGLVXJS-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC[C@H](C)CN1CC[C@](C)([NH3+])C1 405808811 757228765 /nfs/dbraw/zinc/22/87/65/757228765.db2.gz SGZKVETXRMBIPS-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@H](C)CN1CC[C@@](C)([NH3+])C1 405809120 757228838 /nfs/dbraw/zinc/22/88/38/757228838.db2.gz SGZKVETXRMBIPS-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCCC[N@H+]1CC[C@@](C)(N)C1 405803242 757229174 /nfs/dbraw/zinc/22/91/74/757229174.db2.gz QJKUCVPJYQJAPE-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCCC[N@@H+]1CC[C@@](C)(N)C1 405803242 757229158 /nfs/dbraw/zinc/22/91/58/757229158.db2.gz QJKUCVPJYQJAPE-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO CC[C@H](C)CN1CC[C@](C)([NH3+])C1 405827648 757229961 /nfs/dbraw/zinc/22/99/61/757229961.db2.gz RNAPONPLQMEFFY-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(CC)CN1CC[C@](C)([NH3+])C1 405825015 757231250 /nfs/dbraw/zinc/23/12/50/757231250.db2.gz YYRFGSDZZJBHKD-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)CN1CC[C@](C)([NH3+])C1 405827655 757231878 /nfs/dbraw/zinc/23/18/78/757231878.db2.gz RNAPONPLQMEFFY-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C)CN1CC[C@@](C)([NH3+])C1 405827646 757232500 /nfs/dbraw/zinc/23/25/00/757232500.db2.gz RNAPONPLQMEFFY-NXEZZACHSA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@]1([NH3+])CCN(C[C@@H]2CC=CCC2)C1 405808249 757233418 /nfs/dbraw/zinc/23/34/18/757233418.db2.gz XHRNGNFBIFGZKH-VXGBXAGGSA-N 1 3 194.322 1.766 10 0 ADAEHO CCCCCC[N@@H+]1CC[C@](C)(N)C1 405803246 757233554 /nfs/dbraw/zinc/23/35/54/757233554.db2.gz QJKUCVPJYQJAPE-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO CCCCCC[N@H+]1CC[C@](C)(N)C1 405803246 757233574 /nfs/dbraw/zinc/23/35/74/757233574.db2.gz QJKUCVPJYQJAPE-NSHDSACASA-N 1 3 184.327 1.990 10 0 ADAEHO C[NH2+]C[C@H](C)NC[C@@H]1CCC[C@H]1C 300237316 572014992 /nfs/dbraw/zinc/01/49/92/572014992.db2.gz YJXUNRSTKPWOJO-VWYCJHECSA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@]1([NH3+])CCN(CC2CCCCC2)C1 405768461 757235008 /nfs/dbraw/zinc/23/50/08/757235008.db2.gz YXBPJFCGLMANPF-GFCCVEGCSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[N@@H+]1CC[C@H](C)NC[C@H]1C 250204296 572016136 /nfs/dbraw/zinc/01/61/36/572016136.db2.gz BTLWLSSPGYMINO-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[N@H+]1CC[C@H](C)NC[C@H]1C 250204296 572016137 /nfs/dbraw/zinc/01/61/37/572016137.db2.gz BTLWLSSPGYMINO-DTWKUNHWSA-N 1 3 156.273 1.079 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]C[C@H](CN)CC(C)(C)C 300235867 572016504 /nfs/dbraw/zinc/01/65/04/572016504.db2.gz GRTHUCWAEHZGQX-OUAUKWLOSA-N 1 3 198.354 1.996 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1C 300239973 572018141 /nfs/dbraw/zinc/01/81/41/572018141.db2.gz BVSMGWPHBVOTDT-IJLUTSLNSA-N 1 3 198.354 1.996 10 0 ADAEHO CCCN(C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801251 572115607 /nfs/dbraw/zinc/11/56/07/572115607.db2.gz NLNSREVBGLVXJS-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CCOc1ccc(C(CN)C[NH3+])cc1 71506799 572143749 /nfs/dbraw/zinc/14/37/49/572143749.db2.gz ZIBZIITWBIDWFU-UHFFFAOYSA-N 1 3 194.278 1.086 10 0 ADAEHO CCC[C@@H]1C[C@@H]1N[C@@H](C)C[NH3+] 300373524 572143754 /nfs/dbraw/zinc/14/37/54/572143754.db2.gz AOCILMLAJDMTEI-YIZRAAEISA-N 1 3 156.273 1.112 10 0 ADAEHO CSCCC[NH2+]C1CCNCC1 68997792 572019989 /nfs/dbraw/zinc/01/99/89/572019989.db2.gz NCCRAFJOMRPZBH-UHFFFAOYSA-N 1 3 188.340 1.081 10 0 ADAEHO CSCCCNC1CC[NH2+]CC1 68997792 572019992 /nfs/dbraw/zinc/01/99/92/572019992.db2.gz NCCRAFJOMRPZBH-UHFFFAOYSA-N 1 3 188.340 1.081 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCNC1 300388942 572154187 /nfs/dbraw/zinc/15/41/87/572154187.db2.gz RJMDLROLAWLMBJ-TUAOUCFPSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1CCC[NH2+]C1 300388942 572154190 /nfs/dbraw/zinc/15/41/90/572154190.db2.gz RJMDLROLAWLMBJ-TUAOUCFPSA-N 1 3 196.338 1.764 10 0 ADAEHO CCCC[C@@H](N)C[NH+]1CCCCC1 37480872 572154207 /nfs/dbraw/zinc/15/42/07/572154207.db2.gz BUQIRWLZQZKPTN-LLVKDONJSA-N 1 3 184.327 1.990 10 0 ADAEHO C[C@H](C[NH3+])CN(C)[C@@H]1CCSC1 35725199 572034993 /nfs/dbraw/zinc/03/49/93/572034993.db2.gz MQULXIRVRUZTMB-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H](CN)C[N@H+](C)[C@@H]1CCSC1 35725199 572034996 /nfs/dbraw/zinc/03/49/96/572034996.db2.gz MQULXIRVRUZTMB-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCSC1 35725199 572034998 /nfs/dbraw/zinc/03/49/98/572034998.db2.gz MQULXIRVRUZTMB-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO CC[C@@H]1CCC[N@H+](C[C@@H](C)CN)C1 36169012 572039479 /nfs/dbraw/zinc/03/94/79/572039479.db2.gz AFYKSCUSDLLWNJ-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@@H]1CCC[N@@H+](C[C@@H](C)CN)C1 36169012 572039481 /nfs/dbraw/zinc/03/94/81/572039481.db2.gz AFYKSCUSDLLWNJ-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](C)N(CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560385 572048444 /nfs/dbraw/zinc/04/84/44/572048444.db2.gz CEISZUHGDAMUEB-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H](C)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560447 572048457 /nfs/dbraw/zinc/04/84/57/572048457.db2.gz FXOCHWYPCPNZCY-SRVKXCTJSA-N 1 3 198.354 1.962 10 0 ADAEHO CCCN(C[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 82560372 572048480 /nfs/dbraw/zinc/04/84/80/572048480.db2.gz AOQUFHWWOSNJLP-QWRGUYRKSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C1CC1)N(C)C[C@@H]1C[NH2+]C[C@@H]1C 82560439 572048495 /nfs/dbraw/zinc/04/84/95/572048495.db2.gz CPJCWWBNYBDBPQ-NHCYSSNCSA-N 1 3 196.338 1.572 10 0 ADAEHO CCCN(CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560368 572048522 /nfs/dbraw/zinc/04/85/22/572048522.db2.gz XSWXNDAYOPIEQU-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO CCOCCN(CC)CC[C@H](C)[NH3+] 82537047 572053149 /nfs/dbraw/zinc/05/31/49/572053149.db2.gz WBAYJKXFBBKDAV-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CCCC[C@@H]1CCN 82594376 572055612 /nfs/dbraw/zinc/05/56/12/572055612.db2.gz VIFRDRVDBWKPGE-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](C)[N@H+]1CCCC[C@@H]1CCN 82594376 572055614 /nfs/dbraw/zinc/05/56/14/572055614.db2.gz VIFRDRVDBWKPGE-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(C)C(C)C 36678255 572058064 /nfs/dbraw/zinc/05/80/64/572058064.db2.gz UGLQREJNCOPBRS-MRVPVSSYSA-N 1 3 171.288 1.431 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)C(C)C 36678254 572058858 /nfs/dbraw/zinc/05/88/58/572058858.db2.gz UGLQREJNCOPBRS-QMMMGPOBSA-N 1 3 171.288 1.431 10 0 ADAEHO CCN1CC[NH2+]CCC12CCC2 642852672 757271314 /nfs/dbraw/zinc/27/13/14/757271314.db2.gz SSEFEEXWAUQKPE-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)CC[C@@H](C)N 36785261 572067308 /nfs/dbraw/zinc/06/73/08/572067308.db2.gz JGYWLZGEULZNDN-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[NH2+]CCCN(C)C[C@@H]1C[C@@H]1C 82648503 572067309 /nfs/dbraw/zinc/06/73/09/572067309.db2.gz JZHYVUUVPUWFDO-QWRGUYRKSA-N 1 3 184.327 1.574 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)CC[C@@H](C)N 36785261 572067311 /nfs/dbraw/zinc/06/73/11/572067311.db2.gz JGYWLZGEULZNDN-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCC[C@H](N)C[N@H+](C)CCC 37480951 572156740 /nfs/dbraw/zinc/15/67/40/572156740.db2.gz PPHGHVNTONFRTE-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO C[C@@H](C1CC1)N(C)CC[C@@H](C)[NH3+] 36785261 572067313 /nfs/dbraw/zinc/06/73/13/572067313.db2.gz JGYWLZGEULZNDN-BDAKNGLRSA-N 1 3 170.300 1.454 10 0 ADAEHO CCCC[C@H](N)C[N@@H+](C)CCC 37480951 572156742 /nfs/dbraw/zinc/15/67/42/572156742.db2.gz PPHGHVNTONFRTE-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC(CC)[N@H+](C)CC[C@@H](C)N 36789036 572067826 /nfs/dbraw/zinc/06/78/26/572067826.db2.gz XMNIAVPOZGJDEE-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC(CC)[N@@H+](C)CC[C@@H](C)N 36789036 572067829 /nfs/dbraw/zinc/06/78/29/572067829.db2.gz XMNIAVPOZGJDEE-SECBINFHSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CCCNC1 82648631 572069254 /nfs/dbraw/zinc/06/92/54/572069254.db2.gz HFYRCOBAGVMQGA-IJLUTSLNSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCCNC1 82648631 572069256 /nfs/dbraw/zinc/06/92/56/572069256.db2.gz HFYRCOBAGVMQGA-IJLUTSLNSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@@H]1CN(C)C[C@@H]1CCC[NH2+]C1 82648631 572069258 /nfs/dbraw/zinc/06/92/58/572069258.db2.gz HFYRCOBAGVMQGA-IJLUTSLNSA-N 1 3 196.338 1.574 10 0 ADAEHO CCC[C@H](C)[N@H+](C)CC[C@@H](C)N 36790517 572069343 /nfs/dbraw/zinc/06/93/43/572069343.db2.gz MORSOXQBUNXWOY-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@H](C)[N@@H+](C)CC[C@@H](C)N 36790517 572069345 /nfs/dbraw/zinc/06/93/45/572069345.db2.gz MORSOXQBUNXWOY-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@H](C)N(C)CC[C@@H](C)[NH3+] 36790517 572069348 /nfs/dbraw/zinc/06/93/48/572069348.db2.gz MORSOXQBUNXWOY-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](C)[C@H](N)C[N@H+](C)CC 37078997 572083441 /nfs/dbraw/zinc/08/34/41/572083441.db2.gz GLQSEZYVLUJTCP-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C)[C@H](N)C[N@@H+](C)CC 37078997 572083444 /nfs/dbraw/zinc/08/34/44/572083444.db2.gz GLQSEZYVLUJTCP-DTWKUNHWSA-N 1 3 158.289 1.312 10 0 ADAEHO CCC[N@H+](CC)[C@@H](CC)CCN 37094522 572083980 /nfs/dbraw/zinc/08/39/80/572083980.db2.gz QXJWYELRRJWFHS-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](CC)[C@@H](CC)CCN 37094522 572083982 /nfs/dbraw/zinc/08/39/82/572083982.db2.gz QXJWYELRRJWFHS-JTQLQIEISA-N 1 3 172.316 1.846 10 0 ADAEHO C[C@H](N)CC[N@H+](C)C1CCCC1 37084324 572085313 /nfs/dbraw/zinc/08/53/13/572085313.db2.gz FZNZSSYIUXMMIY-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)C1CCCC1 37084324 572085316 /nfs/dbraw/zinc/08/53/16/572085316.db2.gz FZNZSSYIUXMMIY-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@H]([NH3+])CCN(C)C1CCCC1 37084324 572085319 /nfs/dbraw/zinc/08/53/19/572085319.db2.gz FZNZSSYIUXMMIY-VIFPVBQESA-N 1 3 170.300 1.598 10 0 ADAEHO CN(C)Cc1cc(C[NH3+])cs1 16943104 572085324 /nfs/dbraw/zinc/08/53/24/572085324.db2.gz JHNLOSVXEVTBBD-UHFFFAOYSA-N 1 3 170.281 1.268 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)CN 300394495 572165332 /nfs/dbraw/zinc/16/53/32/572165332.db2.gz ZCDLZWZFKBGGTL-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H](CN(C)C1CCCC1)C(N)=[NH2+] 37092854 572086597 /nfs/dbraw/zinc/08/65/97/572086597.db2.gz CCYDXVNJFDIYFY-MRVPVSSYSA-N 1 3 183.299 1.433 10 0 ADAEHO CCN(CC)CC[C@@H]([NH3+])C1CC1 82681750 572086604 /nfs/dbraw/zinc/08/66/04/572086604.db2.gz NPKBUOPHUJRWOC-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CCN)[N@H+](C)C1CCCC1 37083956 572087781 /nfs/dbraw/zinc/08/77/81/572087781.db2.gz UXVPZZRLLCFONM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](CCN)[N@@H+](C)C1CCCC1 37083956 572087783 /nfs/dbraw/zinc/08/77/83/572087783.db2.gz UXVPZZRLLCFONM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(C)C1CC1 37081235 572087793 /nfs/dbraw/zinc/08/77/93/572087793.db2.gz APWLVGMJCODUQX-SSDOTTSWSA-N 1 3 169.272 1.185 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(CC)C(C)C 37082381 572087821 /nfs/dbraw/zinc/08/78/21/572087821.db2.gz PLSQCVPUZNPDMO-SECBINFHSA-N 1 3 185.315 1.821 10 0 ADAEHO N[C@@H]1CCC[C@H]1C[NH2+]CC1CC1 82922297 572173726 /nfs/dbraw/zinc/17/37/26/572173726.db2.gz OZRQVBATUSPTSH-VHSXEESVSA-N 1 3 168.284 1.113 10 0 ADAEHO CC(C)C[NH2+]C[C@@H]1CCC[C@H]1N 82922266 572173734 /nfs/dbraw/zinc/17/37/34/572173734.db2.gz DAGAKZNZBJGRNA-VHSXEESVSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)(C)C[NH2+]C[C@H]1CCC[C@@H]1N 82922337 572174933 /nfs/dbraw/zinc/17/49/33/572174933.db2.gz QZUPFCGVGVEDQV-ZJUUUORDSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(C)CC(C)C 37108654 572092613 /nfs/dbraw/zinc/09/26/13/572092613.db2.gz ARHPOAGMFFKYSZ-VIFPVBQESA-N 1 3 185.315 1.679 10 0 ADAEHO CC(C)NC[C@@H]1CCC(C)(C)C[NH2+]1 686979942 757311934 /nfs/dbraw/zinc/31/19/34/757311934.db2.gz KTQNKLPJOLIMQH-JTQLQIEISA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)NC[C@H]1CCC(C)(C)C[NH2+]1 686979943 757315973 /nfs/dbraw/zinc/31/59/73/757315973.db2.gz KTQNKLPJOLIMQH-SNVBAGLBSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 687297971 757316250 /nfs/dbraw/zinc/31/62/50/757316250.db2.gz OZHCVCYVZHMWFA-CMPLNLGQSA-N 1 3 194.322 1.328 10 0 ADAEHO CC(C)C[N@H+](C)CC[C@@H](C)N 37108383 572100484 /nfs/dbraw/zinc/10/04/84/572100484.db2.gz PYHZEOGERLMPLW-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)C[N@@H+](C)CC[C@@H](C)N 37108383 572100487 /nfs/dbraw/zinc/10/04/87/572100487.db2.gz PYHZEOGERLMPLW-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC(C)CN(C)CC[C@@H](C)[NH3+] 37108383 572100490 /nfs/dbraw/zinc/10/04/90/572100490.db2.gz PYHZEOGERLMPLW-SECBINFHSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C)CN(C)CCC(N)=[NH2+] 37173363 572103310 /nfs/dbraw/zinc/10/33/10/572103310.db2.gz JZFIDIXUFROWCG-QMMMGPOBSA-N 1 3 171.288 1.290 10 0 ADAEHO CC[C@H](C)CN(C)C[C@@H](C)C(N)=[NH2+] 37173355 572103460 /nfs/dbraw/zinc/10/34/60/572103460.db2.gz IYNMPAAYCCSNFJ-DTWKUNHWSA-N 1 3 185.315 1.536 10 0 ADAEHO CC[C@@H](C)CN(C)CCC(N)=[NH2+] 37173362 572103971 /nfs/dbraw/zinc/10/39/71/572103971.db2.gz JZFIDIXUFROWCG-MRVPVSSYSA-N 1 3 171.288 1.290 10 0 ADAEHO CSCC[C@@H](CN)[N@H+](C)C1CC1 37472139 572143019 /nfs/dbraw/zinc/14/30/19/572143019.db2.gz JXJWQOISVSJIGE-VIFPVBQESA-N 1 3 188.340 1.161 10 0 ADAEHO CC(C)[N@H+](C)C[C@](C)(N)C1CC1 37479164 572154267 /nfs/dbraw/zinc/15/42/67/572154267.db2.gz ZCJJHFGHRGGKCY-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[N@@H+](C)C[C@](C)(N)C1CC1 37479164 572154269 /nfs/dbraw/zinc/15/42/69/572154269.db2.gz ZCJJHFGHRGGKCY-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@](C)(N)C[N@H+](C)CC 37480917 572156788 /nfs/dbraw/zinc/15/67/88/572156788.db2.gz ZSGRWGGANMLLHT-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[C@](C)(N)C[N@@H+](C)CC 37480917 572156790 /nfs/dbraw/zinc/15/67/90/572156790.db2.gz ZSGRWGGANMLLHT-VIFPVBQESA-N 1 3 158.289 1.456 10 0 ADAEHO C[C@H](N)C[NH+]1C[C@H](C)C2(CC2)[C@@H](C)C1 251764689 572628364 /nfs/dbraw/zinc/62/83/64/572628364.db2.gz UNBUABYFLWVYMI-DCAQKATOSA-N 1 3 196.338 1.702 10 0 ADAEHO CCCC[C@@H](N)C[NH+]1CCCC1 37480776 572156808 /nfs/dbraw/zinc/15/68/08/572156808.db2.gz VANBWVXUGASTOG-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CC1(C)C[C@@H]1C[NH2+]C[C@@H]1CCC[C@H]1N 300389515 572156820 /nfs/dbraw/zinc/15/68/20/572156820.db2.gz SASRDSQVNDYXFW-HBNTYKKESA-N 1 3 196.338 1.750 10 0 ADAEHO CCC[N@H+](C)C[C@@](C)(N)C1CC1 37479217 572156839 /nfs/dbraw/zinc/15/68/39/572156839.db2.gz VXPDDDSPHQLQFB-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C)C[C@@](C)(N)C1CC1 37479217 572156841 /nfs/dbraw/zinc/15/68/41/572156841.db2.gz VXPDDDSPHQLQFB-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@H+](C[C@@](C)(N)C1CC1)C1CC1 37479215 572156860 /nfs/dbraw/zinc/15/68/60/572156860.db2.gz JRLDMLIXKKWBSW-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](C[C@@](C)(N)C1CC1)C1CC1 37479215 572156861 /nfs/dbraw/zinc/15/68/61/572156861.db2.gz JRLDMLIXKKWBSW-GFCCVEGCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CCC[C@@H]1[NH3+] 300390584 572158056 /nfs/dbraw/zinc/15/80/56/572158056.db2.gz UPVWGNJCVFOADN-ZNSHCXBVSA-N 1 3 182.311 1.502 10 0 ADAEHO C[NH2+]C1CCN(CC2CC(C)C2)CC1 691940218 757361826 /nfs/dbraw/zinc/36/18/26/757361826.db2.gz OEJGWMAPYRJLOC-UHFFFAOYSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1N 300392927 572161764 /nfs/dbraw/zinc/16/17/64/572161764.db2.gz XGHULGCKGILQIZ-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CCCC[C@H]1[NH3+] 300392927 572161766 /nfs/dbraw/zinc/16/17/66/572161766.db2.gz XGHULGCKGILQIZ-KXNHARMFSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCN(CC)C1 37484250 572161786 /nfs/dbraw/zinc/16/17/86/572161786.db2.gz HCHLWOIZVUZLTL-JTQLQIEISA-N 1 3 170.300 1.328 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)CN 300392294 572162902 /nfs/dbraw/zinc/16/29/02/572162902.db2.gz WPKMZPRLVOYMCO-BBBLOLIVSA-N 1 3 170.300 1.359 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CN 300392293 572164118 /nfs/dbraw/zinc/16/41/18/572164118.db2.gz WPKMZPRLVOYMCO-AEJSXWLSSA-N 1 3 170.300 1.359 10 0 ADAEHO CCN1CC[C@@H](C[NH2+]CCC(C)C)C1 37484209 572164138 /nfs/dbraw/zinc/16/41/38/572164138.db2.gz SRUFXORJRQWHRO-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1N 300392931 572164217 /nfs/dbraw/zinc/16/42/17/572164217.db2.gz XGHULGCKGILQIZ-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CCCC[C@@H]1[NH3+] 300392931 572164222 /nfs/dbraw/zinc/16/42/22/572164222.db2.gz XGHULGCKGILQIZ-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CNC[C@@H](C)C[NH2+]C[C@H]1CC1(C)C 300392586 572164234 /nfs/dbraw/zinc/16/42/34/572164234.db2.gz WZPCEZXTCPWNIA-NXEZZACHSA-N 1 3 184.327 1.478 10 0 ADAEHO CNCCC[N@@H+]1CCCCC[C@@H]1C 69944780 572164243 /nfs/dbraw/zinc/16/42/43/572164243.db2.gz KMJVQWSBVOUMFB-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CNCCC[N@H+]1CCCCC[C@@H]1C 69944780 572164246 /nfs/dbraw/zinc/16/42/46/572164246.db2.gz KMJVQWSBVOUMFB-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1N 300392547 572164263 /nfs/dbraw/zinc/16/42/63/572164263.db2.gz WVYNJOBBJJEGNM-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]1C[C@@H]1NC[C@H]1CCC[C@@H]1[NH3+] 300392547 572164266 /nfs/dbraw/zinc/16/42/66/572164266.db2.gz WVYNJOBBJJEGNM-WYUUTHIRSA-N 1 3 196.338 1.892 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@]1(C)CC[NH2+]C1 300393291 572164278 /nfs/dbraw/zinc/16/42/78/572164278.db2.gz XQKAXZXEOOWPJC-OUAUKWLOSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCCC[C@@H]1C 70045474 572165376 /nfs/dbraw/zinc/16/53/76/572165376.db2.gz QMNNIIACZKGONH-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCCC[C@@H]1C 70045474 572165378 /nfs/dbraw/zinc/16/53/78/572165378.db2.gz QMNNIIACZKGONH-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@H](CN)C[NH2+][C@H]1C[C@H]1CC 300394031 572166389 /nfs/dbraw/zinc/16/63/89/572166389.db2.gz YPJWYQHELDSVAS-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@@H](C)C[NH2+]C[C@H]1CCC[C@@H]1N 82922602 572173779 /nfs/dbraw/zinc/17/37/79/572173779.db2.gz QPLQRVQCZPKIJF-TUAOUCFPSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1N 82922244 572173783 /nfs/dbraw/zinc/17/37/83/572173783.db2.gz DQYIIUAAHGTMCU-VWYCJHECSA-N 1 3 184.327 1.892 10 0 ADAEHO CCCC[NH2+]C[C@@H]1CCCC[C@@H]1N 82922308 572173793 /nfs/dbraw/zinc/17/37/93/572173793.db2.gz HDVRJKMYKJUQJQ-QWRGUYRKSA-N 1 3 184.327 1.894 10 0 ADAEHO CC(C)C[C@@H](C)CN1CC(C[NH3+])C1 300972649 572195403 /nfs/dbraw/zinc/19/54/03/572195403.db2.gz SGZSSYIPPBXWCN-SNVBAGLBSA-N 1 3 184.327 1.559 10 0 ADAEHO CC(C)C[C@@H](C)C[NH+]1CC(CN)C1 300972649 572195406 /nfs/dbraw/zinc/19/54/06/572195406.db2.gz SGZSSYIPPBXWCN-SNVBAGLBSA-N 1 3 184.327 1.559 10 0 ADAEHO CCC[C@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCCN1 83093121 572195421 /nfs/dbraw/zinc/19/54/21/572195421.db2.gz WHWJJWFGDKLOKL-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCCN1 83093121 572195424 /nfs/dbraw/zinc/19/54/24/572195424.db2.gz WHWJJWFGDKLOKL-SDDRHHMPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C 693758564 757396196 /nfs/dbraw/zinc/39/61/96/757396196.db2.gz XSQIBPSIMRQACO-AXFHLTTASA-N 1 3 196.338 1.763 10 0 ADAEHO CCC[C@H]1[C@H](NC)CC[N@@H+]1C(C)C 711953316 572207298 /nfs/dbraw/zinc/20/72/98/572207298.db2.gz SMUDYSAGVUZZBZ-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[C@H]1[C@H](NC)CC[N@H+]1C(C)C 711953316 572207300 /nfs/dbraw/zinc/20/73/00/572207300.db2.gz SMUDYSAGVUZZBZ-MNOVXSKESA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[C@](C)([NH3+])CNC1CC1 40408475 572207322 /nfs/dbraw/zinc/20/73/22/572207322.db2.gz LFYRFSUIHBIGSG-VIFPVBQESA-N 1 3 156.273 1.256 10 0 ADAEHO CCCC[NH2+]CCCNC(C)C 40410078 572208155 /nfs/dbraw/zinc/20/81/55/572208155.db2.gz OJNAQMOUQAZSNW-UHFFFAOYSA-N 1 3 172.316 1.764 10 0 ADAEHO CCCCNCCC[NH2+]C(C)C 40410078 572208157 /nfs/dbraw/zinc/20/81/57/572208157.db2.gz OJNAQMOUQAZSNW-UHFFFAOYSA-N 1 3 172.316 1.764 10 0 ADAEHO CCC[C@@H]1[C@@H](NC)CC[N@@H+]1C(C)C 711953323 572208673 /nfs/dbraw/zinc/20/86/73/572208673.db2.gz SMUDYSAGVUZZBZ-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC[C@@H]1[C@@H](NC)CC[N@H+]1C(C)C 711953323 572208676 /nfs/dbraw/zinc/20/86/76/572208676.db2.gz SMUDYSAGVUZZBZ-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CCC(CC)(C[NH3+])OCCN(C)C 83401255 572209934 /nfs/dbraw/zinc/20/99/34/572209934.db2.gz CCWJFAPLDJPULF-UHFFFAOYSA-N 1 3 188.315 1.082 10 0 ADAEHO [NH3+]CC12CC(CN1CCCC1CC1)C2 694603030 757404124 /nfs/dbraw/zinc/40/41/24/757404124.db2.gz GXTLIRCMWKJSDQ-UHFFFAOYSA-N 1 3 194.322 1.600 10 0 ADAEHO CCC[N@H+](C(C)C)[C@H](C)CCN 41042544 572209953 /nfs/dbraw/zinc/20/99/53/572209953.db2.gz QZBZLIHYMZVVIL-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[N@@H+](C(C)C)[C@H](C)CCN 41042544 572209956 /nfs/dbraw/zinc/20/99/56/572209956.db2.gz QZBZLIHYMZVVIL-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)C1CCCC1 86311470 572913987 /nfs/dbraw/zinc/91/39/87/572913987.db2.gz PZRXUNSIUAPCQX-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)C1CCCC1 86311470 572913989 /nfs/dbraw/zinc/91/39/89/572913989.db2.gz PZRXUNSIUAPCQX-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[N@H+](C)[C@@H](C)CCN 41042560 572210914 /nfs/dbraw/zinc/21/09/14/572210914.db2.gz FDQYMHHAPNVQAI-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)[C@@H](C)CCN 41042560 572210916 /nfs/dbraw/zinc/21/09/16/572210916.db2.gz FDQYMHHAPNVQAI-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[NH2+]C[C@@H](C)CN1CCC2(CC2)C1 400018657 572210954 /nfs/dbraw/zinc/21/09/54/572210954.db2.gz BGLYEINCTJLFHE-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CCC[C@@H](C)[N@H+](C)[C@@H](C)CCN 41042595 572211308 /nfs/dbraw/zinc/21/13/08/572211308.db2.gz DUJRYFQSCZZDCW-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CCC[C@@H](C)[N@@H+](C)[C@@H](C)CCN 41042595 572211311 /nfs/dbraw/zinc/21/13/11/572211311.db2.gz DUJRYFQSCZZDCW-ZJUUUORDSA-N 1 3 172.316 1.844 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CC[C@H](C)C1 43908424 572236626 /nfs/dbraw/zinc/23/66/26/572236626.db2.gz GRZDRGKEIMUMLJ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CC[C@H](C)C1 43908424 572236627 /nfs/dbraw/zinc/23/66/27/572236627.db2.gz GRZDRGKEIMUMLJ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+][C@H](C)CCN1CC[C@H](C)C1 43908424 572236628 /nfs/dbraw/zinc/23/66/28/572236628.db2.gz GRZDRGKEIMUMLJ-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@H](NC2CC2)C1 70584300 572237114 /nfs/dbraw/zinc/23/71/14/572237114.db2.gz UVILXZQXEICOOF-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@H](NC2CC2)C1 70584300 572237116 /nfs/dbraw/zinc/23/71/16/572237116.db2.gz UVILXZQXEICOOF-KOLCDFICSA-N 1 3 182.311 1.611 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CCC[C@H](N)C1 86409875 572933807 /nfs/dbraw/zinc/93/38/07/572933807.db2.gz ZXSOYGBWHSHTNG-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@H]1CC 37913211 572237134 /nfs/dbraw/zinc/23/71/34/572237134.db2.gz QVRODYCPSDNOLN-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CCC[C@H]1CC 37913211 572237136 /nfs/dbraw/zinc/23/71/36/572237136.db2.gz QVRODYCPSDNOLN-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCCN1CCC[NH2+]C1CC1 37911241 572237154 /nfs/dbraw/zinc/23/71/54/572237154.db2.gz JXSSSLHLSVAIFA-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@@H+]1CCCNC1CC1 37911241 572237156 /nfs/dbraw/zinc/23/71/56/572237156.db2.gz JXSSSLHLSVAIFA-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@H]1CCC[N@H+]1CCCNC1CC1 37911241 572237158 /nfs/dbraw/zinc/23/71/58/572237158.db2.gz JXSSSLHLSVAIFA-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86409875 572933810 /nfs/dbraw/zinc/93/38/10/572933810.db2.gz ZXSOYGBWHSHTNG-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1[C@@H](C)CCN 37913268 572237553 /nfs/dbraw/zinc/23/75/53/572237553.db2.gz LLQAANFBYISBCY-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@H]1CCC[N@H+]1[C@@H](C)CCN 37913268 572237555 /nfs/dbraw/zinc/23/75/55/572237555.db2.gz LLQAANFBYISBCY-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[N@H+](CCCF)[C@@H]1CCC[C@@H]1CN 88026410 572933813 /nfs/dbraw/zinc/93/38/13/572933813.db2.gz YRUTVIBEEIIAIP-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO CCN(C[C@H]1CCCC[NH2+]C1)C1CC1 697038373 757426854 /nfs/dbraw/zinc/42/68/54/757426854.db2.gz CGSBSWKGGUXQTH-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC[NH2+][C@H]1[C@H](CN(C)C)CCC1(C)C 86871191 572333231 /nfs/dbraw/zinc/33/32/31/572333231.db2.gz FKILYJLTAHXSAJ-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(C)C[C@@H]1CCC(C)(C)[C@@H]1[NH2+]C 86871217 572333243 /nfs/dbraw/zinc/33/32/43/572333243.db2.gz IYYIAEYUXILMRT-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO CCN(C[C@@H]1CCCC[NH2+]C1)C1CC1 697038372 757430129 /nfs/dbraw/zinc/43/01/29/757430129.db2.gz CGSBSWKGGUXQTH-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)CC[N@@H+](C)[C@@H]1CC[C@H](N)C1 86431844 572937053 /nfs/dbraw/zinc/93/70/53/572937053.db2.gz APVWHLFVDDMNLM-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)CCN(C)[C@@H]1CC[C@H]([NH3+])C1 86431844 572937054 /nfs/dbraw/zinc/93/70/54/572937054.db2.gz APVWHLFVDDMNLM-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86431484 572938479 /nfs/dbraw/zinc/93/84/79/572938479.db2.gz KWFVGSJYGQLLPO-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86431484 572938482 /nfs/dbraw/zinc/93/84/82/572938482.db2.gz KWFVGSJYGQLLPO-NWDGAFQWSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](CC[NH2+]C1CSC1)N(C)C 697836018 757438971 /nfs/dbraw/zinc/43/89/71/757438971.db2.gz HFAFPXYDEAPHIO-QMMMGPOBSA-N 1 3 188.340 1.032 10 0 ADAEHO C[C@H](CC[NH2+]C1CSC1)N(C)C 697836015 757439467 /nfs/dbraw/zinc/43/94/67/757439467.db2.gz HFAFPXYDEAPHIO-MRVPVSSYSA-N 1 3 188.340 1.032 10 0 ADAEHO N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CC1 83895344 572442831 /nfs/dbraw/zinc/44/28/31/572442831.db2.gz XMQVCFMQBIUECZ-GHMZBOCLSA-N 1 3 182.311 1.504 10 0 ADAEHO CCCC[C@](N)(CC)C[NH3+] 68988262 572460882 /nfs/dbraw/zinc/46/08/82/572460882.db2.gz HILDMLVQDDBFMP-MRVPVSSYSA-N 1 3 144.262 1.243 10 0 ADAEHO CCCC[C@@](N)(CC)C[NH3+] 68988258 572460949 /nfs/dbraw/zinc/46/09/49/572460949.db2.gz HILDMLVQDDBFMP-QMMMGPOBSA-N 1 3 144.262 1.243 10 0 ADAEHO C[C@H](CN(C)CCC1CC1)C(N)=[NH2+] 83926864 572461023 /nfs/dbraw/zinc/46/10/23/572461023.db2.gz IDLUAAVXYNHAPC-MRVPVSSYSA-N 1 3 183.299 1.290 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)[C@@H](C2CCCC2)C1 250573022 572481431 /nfs/dbraw/zinc/48/14/31/572481431.db2.gz FCQHBAXDLNTRRG-GHMZBOCLSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@H+]1C[C@@H](CN)[C@@H](C2CCCC2)C1 250573022 572481432 /nfs/dbraw/zinc/48/14/32/572481432.db2.gz FCQHBAXDLNTRRG-GHMZBOCLSA-N 1 3 182.311 1.313 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C)N[C@@H](C)C1 250356006 572483273 /nfs/dbraw/zinc/48/32/73/572483273.db2.gz SENKXQDWHMAQRE-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[N@H+]1CC[C@@H](C)N[C@@H](C)C1 250356006 572483276 /nfs/dbraw/zinc/48/32/76/572483276.db2.gz SENKXQDWHMAQRE-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO C[N@@H+]1CCC[C@H]1[C@H](CN)c1ccco1 250561897 572483351 /nfs/dbraw/zinc/48/33/51/572483351.db2.gz CQZNZZGUUQXBOF-UWVGGRQHSA-N 1 3 194.278 1.416 10 0 ADAEHO C[N@H+]1CCC[C@H]1[C@H](CN)c1ccco1 250561897 572483355 /nfs/dbraw/zinc/48/33/55/572483355.db2.gz CQZNZZGUUQXBOF-UWVGGRQHSA-N 1 3 194.278 1.416 10 0 ADAEHO CN1CCC[C@H]1[C@H](C[NH3+])c1ccco1 250561897 572483359 /nfs/dbraw/zinc/48/33/59/572483359.db2.gz CQZNZZGUUQXBOF-UWVGGRQHSA-N 1 3 194.278 1.416 10 0 ADAEHO [NH3+][C@@H]1C[C@H](N[C@@H]2C=CCC2)C12CCC2 698214078 757449140 /nfs/dbraw/zinc/44/91/40/757449140.db2.gz LPIYGYZVCPGTFY-MXWKQRLJSA-N 1 3 192.306 1.565 10 0 ADAEHO N[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)C12CCC2 698214078 757449150 /nfs/dbraw/zinc/44/91/50/757449150.db2.gz LPIYGYZVCPGTFY-MXWKQRLJSA-N 1 3 192.306 1.565 10 0 ADAEHO [NH3+][C@@H]1C[C@@H](N[C@@H]2C=CCC2)C12CCC2 698214068 757449725 /nfs/dbraw/zinc/44/97/25/757449725.db2.gz LPIYGYZVCPGTFY-GMTAPVOTSA-N 1 3 192.306 1.565 10 0 ADAEHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)C12CCC2 698214068 757449730 /nfs/dbraw/zinc/44/97/30/757449730.db2.gz LPIYGYZVCPGTFY-GMTAPVOTSA-N 1 3 192.306 1.565 10 0 ADAEHO [NH3+][C@@H]1C[C@@H](N[C@H]2C=CCC2)C12CCC2 698214073 757451447 /nfs/dbraw/zinc/45/14/47/757451447.db2.gz LPIYGYZVCPGTFY-HBNTYKKESA-N 1 3 192.306 1.565 10 0 ADAEHO N[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)C12CCC2 698214073 757451451 /nfs/dbraw/zinc/45/14/51/757451451.db2.gz LPIYGYZVCPGTFY-HBNTYKKESA-N 1 3 192.306 1.565 10 0 ADAEHO CN[C@H]1CC[C@H]([N@H+](C)CC(C)C)C1 86618766 572965751 /nfs/dbraw/zinc/96/57/51/572965751.db2.gz AGZWXZRNHNINJU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CN[C@H]1CC[C@H]([N@@H+](C)CC(C)C)C1 86618766 572965752 /nfs/dbraw/zinc/96/57/52/572965752.db2.gz AGZWXZRNHNINJU-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO [NH3+][C@@H]1C[C@H](N[C@H]2C=CCC2)C12CCC2 698214064 757452116 /nfs/dbraw/zinc/45/21/16/757452116.db2.gz LPIYGYZVCPGTFY-AXFHLTTASA-N 1 3 192.306 1.565 10 0 ADAEHO N[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)C12CCC2 698214064 757452124 /nfs/dbraw/zinc/45/21/24/757452124.db2.gz LPIYGYZVCPGTFY-AXFHLTTASA-N 1 3 192.306 1.565 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](NC)C1 86618776 572965756 /nfs/dbraw/zinc/96/57/56/572965756.db2.gz ZFXPGEDIMGEKMJ-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](NC)C1 86618776 572965758 /nfs/dbraw/zinc/96/57/58/572965758.db2.gz ZFXPGEDIMGEKMJ-GARJFASQSA-N 1 3 184.327 1.857 10 0 ADAEHO CC1(C)CC[NH+]([C@H]2CC[C@@H]2CN)CC1 87922977 573002735 /nfs/dbraw/zinc/00/27/35/573002735.db2.gz FHLWKJSTZNDNRK-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[N@H+](C)[C@H]1CCN[C@@H](CC)C1 307781245 572507195 /nfs/dbraw/zinc/50/71/95/572507195.db2.gz ZHOOOXHLRCOPRB-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](C)[C@H]1CCN[C@@H](CC)C1 307781245 572507198 /nfs/dbraw/zinc/50/71/98/572507198.db2.gz ZHOOOXHLRCOPRB-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CCCN(C)[C@H]1CC[NH2+][C@@H](CC)C1 307781245 572507202 /nfs/dbraw/zinc/50/72/02/572507202.db2.gz ZHOOOXHLRCOPRB-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC1(C)C[C@H]1NC[C@]1(C)CCC[NH2+]C1 62867751 572518808 /nfs/dbraw/zinc/51/88/08/572518808.db2.gz WCEJQGDJOBUOQD-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]C[C@]1(C)CCCNC1 62867751 572518812 /nfs/dbraw/zinc/51/88/12/572518812.db2.gz WCEJQGDJOBUOQD-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC(=[NH2+])N1CCC(N(C)C)CC1 62990620 572523686 /nfs/dbraw/zinc/52/36/86/572523686.db2.gz VDQFKIFQGGCCEN-UHFFFAOYSA-N 1 3 183.299 1.400 10 0 ADAEHO C[C@@H]1C[N@H+](CC[C@@H](C)N)C[C@@H]1C 86009397 573229286 /nfs/dbraw/zinc/22/92/86/573229286.db2.gz CMFCUIPGLOKOON-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H](NC)[C@H]1CCCC[NH2+]1 259389955 573236142 /nfs/dbraw/zinc/23/61/42/573236142.db2.gz MHFOGWQHJVVVJY-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CN(C/C=C/C[NH3+])C[C@@H]1CCCCO1 85054886 572635350 /nfs/dbraw/zinc/63/53/50/572635350.db2.gz BEOMJKOOCZWJMA-UFFNRZRYSA-N 1 3 198.310 1.002 10 0 ADAEHO CCC[C@@H](N)[C@H](C[NH2+]C)C(C)C 259390166 573236157 /nfs/dbraw/zinc/23/61/57/573236157.db2.gz LJNJXBKTIMYJJM-NXEZZACHSA-N 1 3 172.316 1.605 10 0 ADAEHO CC[C@H](CC1CC1)[NH2+]C1CC(N)C1 87651973 572639317 /nfs/dbraw/zinc/63/93/17/572639317.db2.gz RGVXZOATOWFKAY-HSOILSAZSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H]1CC[C@H]([NH2+]C2CC(N)C2)C[C@@H]1C 87652032 572639362 /nfs/dbraw/zinc/63/93/62/572639362.db2.gz BCSSDEZPWYPUSH-YJDKOSLUSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@H](C)C[C@@H](C)[NH2+]C1CC(N)C1 87652082 572639441 /nfs/dbraw/zinc/63/94/41/572639441.db2.gz RMFNNDMCBLTWTL-IZUQBHJASA-N 1 3 184.327 1.890 10 0 ADAEHO CC[C@H](C)C[C@@H](C)NC1CC([NH3+])C1 87652082 572639445 /nfs/dbraw/zinc/63/94/45/572639445.db2.gz RMFNNDMCBLTWTL-IZUQBHJASA-N 1 3 184.327 1.890 10 0 ADAEHO NC1CC([NH2+]CC(C2CC2)C2CC2)C1 87652088 572641269 /nfs/dbraw/zinc/64/12/69/572641269.db2.gz JJBIOTCRRRJQHX-UHFFFAOYSA-N 1 3 194.322 1.502 10 0 ADAEHO CC[C@H]1C[N@H+](C[C@H](C)N)CCC12CC2 251922085 572660443 /nfs/dbraw/zinc/66/04/43/572660443.db2.gz YOBDEPBGFVNKBP-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1C[N@@H+](C[C@H](C)N)CCC12CC2 251922085 572660445 /nfs/dbraw/zinc/66/04/45/572660445.db2.gz YOBDEPBGFVNKBP-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H]2[C@@H](C[C@@H](C[NH3+])CN2C)C1 251942444 572660465 /nfs/dbraw/zinc/66/04/65/572660465.db2.gz WCMYOLPOKDLTNZ-WRWGMCAJSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@@H](N)C[N@H+](C)C1 251936107 572660559 /nfs/dbraw/zinc/66/05/59/572660559.db2.gz RXEQELZGERVOJZ-IVZWLZJFSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[C@@H]1C[C@@H](N)C[N@@H+](C)C1 251936107 572660564 /nfs/dbraw/zinc/66/05/64/572660564.db2.gz RXEQELZGERVOJZ-IVZWLZJFSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@@H](C)N1CC2(CC2)C[NH2+]C[C@H]1C 251925519 572662423 /nfs/dbraw/zinc/66/24/23/572662423.db2.gz QPZWMUBTPQNVAD-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO C1CC(C[N@@H+]2C[C@@H]3CCCN[C@H]3C2)C1 299892753 572662547 /nfs/dbraw/zinc/66/25/47/572662547.db2.gz CUWQUMIOVIRUEK-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO CC1CC(C[N@@H+]2C[C@@H](C)[C@H](CN)C2)C1 885189582 757514657 /nfs/dbraw/zinc/51/46/57/757514657.db2.gz PVNKGLGXESJGDA-RUJICJSRSA-N 1 3 196.338 1.559 10 0 ADAEHO CC1CC(C[N@H+]2C[C@@H](C)[C@H](CN)C2)C1 885189582 757514661 /nfs/dbraw/zinc/51/46/61/757514661.db2.gz PVNKGLGXESJGDA-RUJICJSRSA-N 1 3 196.338 1.559 10 0 ADAEHO CC1CC(CN2CC[C@H]([NH3+])[C@@H]2C)C1 885425100 757522037 /nfs/dbraw/zinc/52/20/37/757522037.db2.gz QDGRHSAOLYRNSW-YIYTYNFBSA-N 1 3 182.311 1.454 10 0 ADAEHO CCCC[C@@H]1[C@H](N)CCC[N@@H+]1C 83428428 573499673 /nfs/dbraw/zinc/49/96/73/573499673.db2.gz XQFUBGCPIQRXAD-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[C@@H]1[C@H](N)CCC[N@H+]1C 83428428 573499676 /nfs/dbraw/zinc/49/96/76/573499676.db2.gz XQFUBGCPIQRXAD-NXEZZACHSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CN)C2)C1 70644860 572718423 /nfs/dbraw/zinc/71/84/23/572718423.db2.gz XSKLEKRQZCVTKO-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CN)C2)C1 70644860 572718427 /nfs/dbraw/zinc/71/84/27/572718427.db2.gz XSKLEKRQZCVTKO-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CSC[C@@H](NCC[NH3+])C1 86975318 573723372 /nfs/dbraw/zinc/72/33/72/573723372.db2.gz PWCSSBFBUVRGIR-QMMMGPOBSA-N 1 3 188.340 1.066 10 0 ADAEHO C/C=C/CCNCC(C)(C)[NH3+] 307884905 572721606 /nfs/dbraw/zinc/72/16/06/572721606.db2.gz UEOCGQWOKISVRS-SNAWJCMRSA-N 1 3 156.273 1.280 10 0 ADAEHO NC[C@@H]1CC[N@H+](CC2(C3CC3)CC2)C1 236179575 572722424 /nfs/dbraw/zinc/72/24/24/572722424.db2.gz LBZSHVRIIWPMLB-JTQLQIEISA-N 1 3 194.322 1.457 10 0 ADAEHO NC[C@@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236179575 572722426 /nfs/dbraw/zinc/72/24/26/572722426.db2.gz LBZSHVRIIWPMLB-JTQLQIEISA-N 1 3 194.322 1.457 10 0 ADAEHO CC1CC(CN2C[C@H]([NH3+])C(C)(C)C2)C1 885835854 757551179 /nfs/dbraw/zinc/55/11/79/757551179.db2.gz QVARUYBACUSZPJ-ILDUYXDCSA-N 1 3 196.338 1.702 10 0 ADAEHO CC1CC(CN2CC3CC2(C[NH3+])C3)C1 885735452 757557811 /nfs/dbraw/zinc/55/78/11/757557811.db2.gz FCTAEMKNJCQCEH-UHFFFAOYSA-N 1 3 194.322 1.456 10 0 ADAEHO CC(C)NC[C@@]1([NH3+])CCC[C@@H](C)C1 70905815 572753467 /nfs/dbraw/zinc/75/34/67/572753467.db2.gz YMJHIWBDKKSMRL-GHMZBOCLSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N(C)C1CC1 87947215 572759370 /nfs/dbraw/zinc/75/93/70/572759370.db2.gz FALPGVIHTQUZTD-NXEZZACHSA-N 1 3 184.327 1.715 10 0 ADAEHO CC1CC(CN2C[C@@H]([NH3+])C(C)(C)C2)C1 885835855 757560759 /nfs/dbraw/zinc/56/07/59/757560759.db2.gz QVARUYBACUSZPJ-VQXHTEKXSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@@H](C)N1CCCC1 87946941 572759380 /nfs/dbraw/zinc/75/93/80/572759380.db2.gz XZBAQHQCQQGOFO-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCNC[C@@H](C)[C@@H](C)[NH+]1CCCC1 87946941 572759384 /nfs/dbraw/zinc/75/93/84/572759384.db2.gz XZBAQHQCQQGOFO-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[NH2+]C[C@H](C)[C@H](C)N(C)C 87947138 572759395 /nfs/dbraw/zinc/75/93/95/572759395.db2.gz LEPSJMGGHYQQOI-IUCAKERBSA-N 1 3 158.289 1.182 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CC2CC2)C1 49662939 572793844 /nfs/dbraw/zinc/79/38/44/572793844.db2.gz CYLDQPFAJGZCAE-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)C[N@@H+]1CCCNCC[C@H]1C 259586619 573936435 /nfs/dbraw/zinc/93/64/35/573936435.db2.gz ZRWKLISJDWXHOR-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@H+]1CCCNCC[C@H]1C 259586619 573936438 /nfs/dbraw/zinc/93/64/38/573936438.db2.gz ZRWKLISJDWXHOR-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCN(C)C[C@H](C)C[NH2+]1 49663010 572793922 /nfs/dbraw/zinc/79/39/22/572793922.db2.gz NHBDWXMCXNLWOX-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H]1CC[N@H+](CC(C)C)CCN1 49661520 572793955 /nfs/dbraw/zinc/79/39/55/572793955.db2.gz HWVUZQNJZRMBCV-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CC[N@@H+](CC(C)C)CCN1 49661520 572793957 /nfs/dbraw/zinc/79/39/57/572793957.db2.gz HWVUZQNJZRMBCV-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@H]1CCN(CC(C)C)CC[NH2+]1 49661520 572793960 /nfs/dbraw/zinc/79/39/60/572793960.db2.gz HWVUZQNJZRMBCV-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO Cc1cccc([C@H](N)C[C@H](C)[NH3+])c1 259244221 573936451 /nfs/dbraw/zinc/93/64/51/573936451.db2.gz HXFGNINIPSKQDU-GXSJLCMTSA-N 1 3 178.279 1.732 10 0 ADAEHO CCC[C@@H]([NH3+])CN[C@@H]1CCC1(C)C 308128595 572794024 /nfs/dbraw/zinc/79/40/24/572794024.db2.gz CHIOJMRFCZNIED-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO C[NH2+]CC1(CN(C)CC(C)(C)C)CC1 259030699 573969202 /nfs/dbraw/zinc/96/92/02/573969202.db2.gz ZKDQQAPIMBEEEG-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC1(C[N@H+](C)CC(C)(C)C)CC1 259030699 573969207 /nfs/dbraw/zinc/96/92/07/573969207.db2.gz ZKDQQAPIMBEEEG-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO Cc1ccc([C@@H](N)C[C@H](C)C[NH3+])o1 259285448 574031540 /nfs/dbraw/zinc/03/15/40/574031540.db2.gz JKEFFJFOSWKEAX-CBAPKCEASA-N 1 3 182.267 1.573 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86311604 572914018 /nfs/dbraw/zinc/91/40/18/572914018.db2.gz AKUJWJWQKDSARM-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)CN 86311604 572914020 /nfs/dbraw/zinc/91/40/20/572914020.db2.gz AKUJWJWQKDSARM-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO CCN(C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86311604 572914022 /nfs/dbraw/zinc/91/40/22/572914022.db2.gz AKUJWJWQKDSARM-IUCAKERBSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](CC1CC1)C1CC1 86312723 572914034 /nfs/dbraw/zinc/91/40/34/572914034.db2.gz DHFSLVCVCFJDOJ-NXEZZACHSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](CC1CC1)C1CC1 86312723 572914036 /nfs/dbraw/zinc/91/40/36/572914036.db2.gz DHFSLVCVCFJDOJ-NXEZZACHSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]([C@H](C)C[NH2+]C1CC1)N(C)C1CC1 86311499 572914083 /nfs/dbraw/zinc/91/40/83/572914083.db2.gz JJZGTCPXLMQNSY-ZJUUUORDSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H]([C@H](C)CNC1CC1)[N@H+](C)C1CC1 86311499 572914085 /nfs/dbraw/zinc/91/40/85/572914085.db2.gz JJZGTCPXLMQNSY-ZJUUUORDSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H]([C@H](C)CNC1CC1)[N@@H+](C)C1CC1 86311499 572914088 /nfs/dbraw/zinc/91/40/88/572914088.db2.gz JJZGTCPXLMQNSY-ZJUUUORDSA-N 1 3 196.338 1.857 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H](C)[C@@H](C)CN 86312649 572914095 /nfs/dbraw/zinc/91/40/95/572914095.db2.gz DZUXVKWGPCFMFC-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)CN 86312649 572914097 /nfs/dbraw/zinc/91/40/97/572914097.db2.gz DZUXVKWGPCFMFC-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](C1CC1)[N@@H+](C)[C@@H](C)[C@H](C)CN 86311779 572914112 /nfs/dbraw/zinc/91/41/12/572914112.db2.gz LCGWWLKWRHFXDP-UTLUCORTSA-N 1 3 184.327 1.700 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@@H](C)[C@H](C)CN 86311779 572914114 /nfs/dbraw/zinc/91/41/14/572914114.db2.gz LCGWWLKWRHFXDP-UTLUCORTSA-N 1 3 184.327 1.700 10 0 ADAEHO CC[N@@H+](C1CC1)[C@H](C)[C@@H](C)CN 86311605 572914149 /nfs/dbraw/zinc/91/41/49/572914149.db2.gz AKUJWJWQKDSARM-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@H+](C1CC1)[C@H](C)[C@@H](C)CN 86311605 572914151 /nfs/dbraw/zinc/91/41/51/572914151.db2.gz AKUJWJWQKDSARM-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CCN(C1CC1)[C@H](C)[C@@H](C)C[NH3+] 86311605 572914152 /nfs/dbraw/zinc/91/41/52/572914152.db2.gz AKUJWJWQKDSARM-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)CNC 86311518 572914157 /nfs/dbraw/zinc/91/41/57/572914157.db2.gz XUXFZKNQYFGFAC-QWRGUYRKSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)CNC 86311518 572914159 /nfs/dbraw/zinc/91/41/59/572914159.db2.gz XUXFZKNQYFGFAC-QWRGUYRKSA-N 1 3 186.343 1.961 10 0 ADAEHO C[NH2+]C[C@@H](C)[C@@H](C)N(C)C1CC1 86311481 572914168 /nfs/dbraw/zinc/91/41/68/572914168.db2.gz KXKFMLZRRCGWSR-RKDXNWHRSA-N 1 3 170.300 1.325 10 0 ADAEHO CCC[C@@H](C1CC1)[N@H+](C)CCCN 308194682 572923690 /nfs/dbraw/zinc/92/36/90/572923690.db2.gz PYZCXVXKCSPHRG-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCC[C@@H](C1CC1)[N@@H+](C)CCCN 308194682 572923691 /nfs/dbraw/zinc/92/36/91/572923691.db2.gz PYZCXVXKCSPHRG-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@](C)(C[NH3+])NCC(C)(C)OC 308198778 572927049 /nfs/dbraw/zinc/92/70/49/572927049.db2.gz SZECKYWUHRPPBD-JTQLQIEISA-N 1 3 188.315 1.128 10 0 ADAEHO [NH3+][C@H]1CC[C@H](NCCC(F)(F)F)C1 86400487 572930911 /nfs/dbraw/zinc/93/09/11/572930911.db2.gz RUMATLPRGCUZOX-BQBZGAKWSA-N 1 3 196.216 1.408 10 0 ADAEHO C[N@@H+](CCCF)[C@@H]1CCC[C@@H]1CN 88026410 572933815 /nfs/dbraw/zinc/93/38/15/572933815.db2.gz YRUTVIBEEIIAIP-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO CN(CCCF)[C@@H]1CCC[C@@H]1C[NH3+] 88026410 572933817 /nfs/dbraw/zinc/93/38/17/572933817.db2.gz YRUTVIBEEIIAIP-NXEZZACHSA-N 1 3 188.290 1.405 10 0 ADAEHO CCCC[N@H+](C)[C@@H]1CC[C@H](N)C1 86409879 572933861 /nfs/dbraw/zinc/93/38/61/572933861.db2.gz DIZJIHGDICJQIJ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCC[N@@H+](C)[C@@H]1CC[C@H](N)C1 86409879 572933862 /nfs/dbraw/zinc/93/38/62/572933862.db2.gz DIZJIHGDICJQIJ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCCCN(C)[C@@H]1CC[C@H]([NH3+])C1 86409879 572933864 /nfs/dbraw/zinc/93/38/64/572933864.db2.gz DIZJIHGDICJQIJ-VHSXEESVSA-N 1 3 170.300 1.598 10 0 ADAEHO CCC[NH+](CCC)[C@H]1CC[C@H](N)C1 86409705 572933926 /nfs/dbraw/zinc/93/39/26/572933926.db2.gz VPLNMJXMMCMIPO-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H]1C[N@H+](CCCF)CCCN1 88027523 572937148 /nfs/dbraw/zinc/93/71/48/572937148.db2.gz OHXGRWQRXYMZFL-JTQLQIEISA-N 1 3 188.290 1.420 10 0 ADAEHO CC[C@H]1C[N@@H+](CCCF)CCCN1 88027523 572937149 /nfs/dbraw/zinc/93/71/49/572937149.db2.gz OHXGRWQRXYMZFL-JTQLQIEISA-N 1 3 188.290 1.420 10 0 ADAEHO CC[C@@](C)(CNC(C)(C)C[NH3+])OC 308196137 572938609 /nfs/dbraw/zinc/93/86/09/572938609.db2.gz RBZMAEWAGWBCAI-JTQLQIEISA-N 1 3 188.315 1.128 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308207423 572943747 /nfs/dbraw/zinc/94/37/47/572943747.db2.gz DDCHPEPPWGKLRA-ZNSHCXBVSA-N 1 3 182.311 1.359 10 0 ADAEHO C[C@H](C[C@H]1CCCCN1)[NH2+]CC1CC1 86498676 572945773 /nfs/dbraw/zinc/94/57/73/572945773.db2.gz HPMXJSUJGUKAEW-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO C1CC[C@H](CCCN2CCC2)[NH2+]C1 308207918 572946930 /nfs/dbraw/zinc/94/69/30/572946930.db2.gz JFHBWSXJDWEERU-LLVKDONJSA-N 1 3 182.311 1.614 10 0 ADAEHO CC[C@@]1([C@@H]2CCCNC2)CCCC[NH2+]1 258207975 572996100 /nfs/dbraw/zinc/99/61/00/572996100.db2.gz NTTAWGFIQOXXCG-NEPJUHHUSA-N 1 3 196.338 1.908 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N1CCC(C)CC1 87921380 573001297 /nfs/dbraw/zinc/00/12/97/573001297.db2.gz OHKIBARWQVJLFY-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H]1CC[C@@H]1[NH+]1CCC(C)CC1 87921380 573001302 /nfs/dbraw/zinc/00/13/02/573001302.db2.gz OHKIBARWQVJLFY-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CC[NH+]([C@@H]2CC[C@H]2CN)CC1 87922978 573001377 /nfs/dbraw/zinc/00/13/77/573001377.db2.gz FHLWKJSTZNDNRK-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1CCCC1(C)C 87923092 573001405 /nfs/dbraw/zinc/00/14/05/573001405.db2.gz YZDIPCIRGNYTGO-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@H+]1CCCC1(C)C 87923092 573001412 /nfs/dbraw/zinc/00/14/12/573001412.db2.gz YZDIPCIRGNYTGO-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87921321 573001467 /nfs/dbraw/zinc/00/14/67/573001467.db2.gz DVARIXFYBYZBQT-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87921549 573002789 /nfs/dbraw/zinc/00/27/89/573002789.db2.gz AKMNIGANJSWNIB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87921549 573002793 /nfs/dbraw/zinc/00/27/93/573002793.db2.gz AKMNIGANJSWNIB-GMTAPVOTSA-N 1 3 182.311 1.456 10 0 ADAEHO CCC[N@@H+]1CCCNCC[C@H]1C 259308677 573011294 /nfs/dbraw/zinc/01/12/94/573011294.db2.gz HUJXHHLDZPOMTP-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[N@H+]1CCCNCC[C@H]1C 259308677 573011301 /nfs/dbraw/zinc/01/13/01/573011301.db2.gz HUJXHHLDZPOMTP-SNVBAGLBSA-N 1 3 170.300 1.470 10 0 ADAEHO CN1CC=C(CC[NH+](C)C)CC1 258221933 573011349 /nfs/dbraw/zinc/01/13/49/573011349.db2.gz VVJVFYWBRTXDER-UHFFFAOYSA-N 1 3 168.284 1.200 10 0 ADAEHO CN(C)Cc1ccc2c(c1)C[NH2+]C2 113704980 573023086 /nfs/dbraw/zinc/02/30/86/573023086.db2.gz NHIXXQRVZZOMBI-UHFFFAOYSA-N 1 3 176.263 1.351 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438406 573023159 /nfs/dbraw/zinc/02/31/59/573023159.db2.gz XFNPKFKICDZHEC-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438406 573023163 /nfs/dbraw/zinc/02/31/63/573023163.db2.gz XFNPKFKICDZHEC-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CN[C@@H](c1sccc1C)[C@H](C)C[NH3+] 259596546 573026086 /nfs/dbraw/zinc/02/60/86/573026086.db2.gz WWDKAZOBGUSUAQ-RKDXNWHRSA-N 1 3 198.335 1.912 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]C1CC1 128477462 573026125 /nfs/dbraw/zinc/02/61/25/573026125.db2.gz COPRXIZUUCZJQM-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@](C)(C[NH3+])CNC1CC1 128477462 573026133 /nfs/dbraw/zinc/02/61/33/573026133.db2.gz COPRXIZUUCZJQM-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@H](N)C(C)(C)[NH+](C)C 82409160 573032485 /nfs/dbraw/zinc/03/24/85/573032485.db2.gz IXYXYHYSNZUFAU-ZETCQYMHSA-N 1 3 144.262 1.064 10 0 ADAEHO CO[C@@H](C)CN(C)CCC(C)(C)[NH3+] 308237570 573041926 /nfs/dbraw/zinc/04/19/26/573041926.db2.gz WSKVVPODOHAEMN-VIFPVBQESA-N 1 3 188.315 1.081 10 0 ADAEHO [NH3+]C1CCC(N2CC[C@H](F)C2)CC1 114037124 573054920 /nfs/dbraw/zinc/05/49/20/573054920.db2.gz XAGOJJLKHUDMBW-IDKOKCKLSA-N 1 3 186.274 1.300 10 0 ADAEHO NCC[C@@H]1CCC[N@@H+]1CCC1CC1 308242225 573061394 /nfs/dbraw/zinc/06/13/94/573061394.db2.gz ZCIBXBOMBLJIQE-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO NCC[C@@H]1CCC[N@H+]1CCC1CC1 308242225 573061399 /nfs/dbraw/zinc/06/13/99/573061399.db2.gz ZCIBXBOMBLJIQE-NSHDSACASA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])CC(F)F 308242690 573061559 /nfs/dbraw/zinc/06/15/59/573061559.db2.gz ZNYTWXFFGOUQIY-CSMHCCOUSA-N 1 3 192.253 1.357 10 0 ADAEHO CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C 1119699203 757802321 /nfs/dbraw/zinc/80/23/21/757802321.db2.gz KYPLXEGYFOEITG-GUBZILKMSA-N 1 3 182.311 1.373 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)C1CC1 128552298 573070598 /nfs/dbraw/zinc/07/05/98/573070598.db2.gz YFQSSWJUIZRKDA-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CC1CC([NH2+]C[C@]2(C)CCC[C@H]2N)C1 123565198 573070630 /nfs/dbraw/zinc/07/06/30/573070630.db2.gz MURZKTXZMIDGKE-HCWSGVFWSA-N 1 3 196.338 1.892 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)CCC 128555716 573070675 /nfs/dbraw/zinc/07/06/75/573070675.db2.gz NTVOXTLOHVURFV-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[C@H]([NH3+])CCN(CC)C1CC1 128551570 573070824 /nfs/dbraw/zinc/07/08/24/573070824.db2.gz YUGZEIPOHOCGDH-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H](C)CCN)CC1 82488905 573073902 /nfs/dbraw/zinc/07/39/02/573073902.db2.gz QOEYHBXLGLFJCQ-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H](C)CCN)CC1 82488905 573073908 /nfs/dbraw/zinc/07/39/08/573073908.db2.gz QOEYHBXLGLFJCQ-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+][C@H](CCN)C1CCCC1 259323411 573084026 /nfs/dbraw/zinc/08/40/26/573084026.db2.gz ITWFQRSNNSLKLI-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH2+][C@@H](CCN)C1CCCC1 259323415 573084049 /nfs/dbraw/zinc/08/40/49/573084049.db2.gz ITWFQRSNNSLKLI-VIFPVBQESA-N 1 3 156.273 1.113 10 0 ADAEHO C1NC2(C[NH2+][C@H]3C[C@@H]3C3CC3)CC1C2 717108387 573087915 /nfs/dbraw/zinc/08/79/15/573087915.db2.gz JULWRXUORRAPKQ-VJXXDZRXSA-N 1 3 192.306 1.127 10 0 ADAEHO CCC[C@@H](C[C@@H](C)N)[NH2+]C 224986232 573089794 /nfs/dbraw/zinc/08/97/94/573089794.db2.gz PAPHPFOXJGSMBI-SFYZADRCSA-N 1 3 144.262 1.112 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC1(C)C 82560794 573100536 /nfs/dbraw/zinc/10/05/36/573100536.db2.gz IIBWWXQALKNWOY-OPRDCNLKSA-N 1 3 182.311 1.230 10 0 ADAEHO CC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238284761 573105962 /nfs/dbraw/zinc/10/59/62/573105962.db2.gz OZFBTYWYRNXTQO-CHWFTXMASA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238284761 573105966 /nfs/dbraw/zinc/10/59/66/573105966.db2.gz OZFBTYWYRNXTQO-CHWFTXMASA-N 1 3 182.311 1.739 10 0 ADAEHO CC([C@@H]1CCCCN1)[C@@H]1CCCC[NH2+]1 114650761 573106026 /nfs/dbraw/zinc/10/60/26/573106026.db2.gz WNSAKRZUFNBORV-RYUDHWBXSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H](C)[C@]1(N)CC[N@H+](CC)C1 642827619 573117734 /nfs/dbraw/zinc/11/77/34/573117734.db2.gz USSIMUAQKHASKZ-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@H](C)[C@]1(N)CC[N@@H+](CC)C1 642827619 573117739 /nfs/dbraw/zinc/11/77/39/573117739.db2.gz USSIMUAQKHASKZ-UWVGGRQHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H]1C[C@@](C)(CC)[NH2+]CCN1 238280906 573121739 /nfs/dbraw/zinc/12/17/39/573121739.db2.gz CXWAGZQSXAGBGN-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@H]1C[C@@](C)(CC)NCC[NH2+]1 238280906 573121743 /nfs/dbraw/zinc/12/17/43/573121743.db2.gz CXWAGZQSXAGBGN-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[NH2+][C@]1(C)CC[C@H](N)C1(C)C 238281068 573121834 /nfs/dbraw/zinc/12/18/34/573121834.db2.gz WRYJQSCPIJXYAW-WCBMZHEXSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(CC[NH3+])[C@@H](N)c1ccc[nH]1 259337182 573125482 /nfs/dbraw/zinc/12/54/82/573125482.db2.gz LLDASAYHPHNMIM-VIFPVBQESA-N 1 3 181.283 1.390 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@H]1C 308504068 573148174 /nfs/dbraw/zinc/14/81/74/573148174.db2.gz CNGRGJFDQJGNQB-IJLUTSLNSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1C[C@@H](CN)C[C@H]1C 308504068 573148180 /nfs/dbraw/zinc/14/81/80/573148180.db2.gz CNGRGJFDQJGNQB-IJLUTSLNSA-N 1 3 198.354 1.948 10 0 ADAEHO CC[C@@H](N)C[C@@H]1CCCC[NH2+]1 238290209 573148186 /nfs/dbraw/zinc/14/81/86/573148186.db2.gz MAUJJDMNCSGNBX-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@@H]([NH3+])C[C@@H]1CCCCN1 238290209 573148191 /nfs/dbraw/zinc/14/81/91/573148191.db2.gz MAUJJDMNCSGNBX-BDAKNGLRSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@@H](C)[NH2+]CC1(CNC)CC1 258551727 573148393 /nfs/dbraw/zinc/14/83/93/573148393.db2.gz ANRPBHHWVFSOBS-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@@H](C1CC1)[N@H+](C)[C@@H]1CCCNCC1 82666713 573152655 /nfs/dbraw/zinc/15/26/55/573152655.db2.gz CTZICUQLGYKXBH-CMPLNLGQSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CCCNCC2)C1 82666763 573153806 /nfs/dbraw/zinc/15/38/06/573153806.db2.gz ZOTAIFXDSGSWKO-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CCCNCC2)C1 82666763 573153813 /nfs/dbraw/zinc/15/38/13/573153813.db2.gz ZOTAIFXDSGSWKO-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CNC[C@@H](C[NH2+]C(C)(C)C)C(C)C 258553147 573157164 /nfs/dbraw/zinc/15/71/64/573157164.db2.gz AWVXYQMDUYXBPY-JTQLQIEISA-N 1 3 186.343 1.866 10 0 ADAEHO CN1CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)O1 258564520 573166499 /nfs/dbraw/zinc/16/64/99/573166499.db2.gz PAKZXSBUUHPSNW-UWVGGRQHSA-N 1 3 198.310 1.195 10 0 ADAEHO CCCC[NH2+]C[C@H](CNC)C(C)C 258561821 573169459 /nfs/dbraw/zinc/16/94/59/573169459.db2.gz BVDJHCRIFBVHAM-NSHDSACASA-N 1 3 186.343 1.868 10 0 ADAEHO CCC[C@H]([NH3+])[C@H](CN)C(C)C 259352576 573169495 /nfs/dbraw/zinc/16/94/95/573169495.db2.gz JWEGXEZUFYWRNP-BDAKNGLRSA-N 1 3 158.289 1.345 10 0 ADAEHO CN(C)[C@@]12C=C[C@@H](CC1)[C@@H]1C[NH2+]C[C@@H]12 238303412 573170810 /nfs/dbraw/zinc/17/08/10/573170810.db2.gz IKFZJTLTENBHAR-BJDJZHNGSA-N 1 3 192.306 1.102 10 0 ADAEHO F[C@@]1(C[NH2+]C2CCCC2)CCNC1 257962305 573182906 /nfs/dbraw/zinc/18/29/06/573182906.db2.gz XPKWAHWFFNPZQZ-JTQLQIEISA-N 1 3 186.274 1.220 10 0 ADAEHO CC[C@H](C)[N@@H+]1CCCNCC[C@@H]1C 259360018 573183008 /nfs/dbraw/zinc/18/30/08/573183008.db2.gz KFNRJNOBHXIARD-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO NCCC[NH2+][C@@H]1CC2CCC1CC2 308296525 573186857 /nfs/dbraw/zinc/18/68/57/573186857.db2.gz VXWDLQHMYXVZPQ-VQXHTEKXSA-N 1 3 182.311 1.504 10 0 ADAEHO CN1CCC[C@H]1[C@]1(C)CC[NH2+]C1 258572497 573192597 /nfs/dbraw/zinc/19/25/97/573192597.db2.gz RSUGQFIGDFCIPM-VHSXEESVSA-N 1 3 168.284 1.080 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H]1CCCN(C)C1 74310643 573192752 /nfs/dbraw/zinc/19/27/52/573192752.db2.gz QTWREBBREVANBX-ZJUUUORDSA-N 1 3 170.300 1.456 10 0 ADAEHO CN1CCC[C@@H]1[C@@]1(C)CC[NH2+]C1 258572504 573192776 /nfs/dbraw/zinc/19/27/76/573192776.db2.gz RSUGQFIGDFCIPM-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C2(C)CCCC2)C1 82785589 573192911 /nfs/dbraw/zinc/19/29/11/573192911.db2.gz ODSMUUURUZXKIU-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@H]1CC[N@H+](C2(C)CCCC2)C1 82785589 573192916 /nfs/dbraw/zinc/19/29/16/573192916.db2.gz ODSMUUURUZXKIU-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1C[N@@H+](C2(C)CCCC2)CC[C@@H]1N 82785576 573192983 /nfs/dbraw/zinc/19/29/83/573192983.db2.gz SWFJFZUOLVGXDQ-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H]1C[N@H+](C2(C)CCCC2)CC[C@@H]1N 82785576 573192989 /nfs/dbraw/zinc/19/29/89/573192989.db2.gz SWFJFZUOLVGXDQ-QWRGUYRKSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@@H](N)CC1(C)C 259365914 573198939 /nfs/dbraw/zinc/19/89/39/573198939.db2.gz KNNKUAOVRHXJKR-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@@H](N)CC1(C)C 259365914 573198945 /nfs/dbraw/zinc/19/89/45/573198945.db2.gz KNNKUAOVRHXJKR-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](N)CC1(C)C 259365916 573198977 /nfs/dbraw/zinc/19/89/77/573198977.db2.gz KNNKUAOVRHXJKR-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](N)CC1(C)C 259365916 573198979 /nfs/dbraw/zinc/19/89/79/573198979.db2.gz KNNKUAOVRHXJKR-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@@H](N(C)C)C1(C[NH3+])CC1 259366714 573199110 /nfs/dbraw/zinc/19/91/10/573199110.db2.gz GBWOMNRPJIDABJ-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO C1C[NH2+][C@@H]2CN3CCCC[C@@H]3[C@H]2C1 257746885 573202345 /nfs/dbraw/zinc/20/23/45/573202345.db2.gz YZKYHFOTARPRHN-HBNTYKKESA-N 1 3 180.295 1.223 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH+]1CCCCCC1 82800953 573202398 /nfs/dbraw/zinc/20/23/98/573202398.db2.gz VSABLCQDPVXPKM-GHMZBOCLSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@@H+]1CCCC1(C)C 82802368 573204789 /nfs/dbraw/zinc/20/47/89/573204789.db2.gz FGIGMZYYARYYMT-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@H](N)C[C@H](C)[N@H+]1CCCC1(C)C 82802368 573204794 /nfs/dbraw/zinc/20/47/94/573204794.db2.gz FGIGMZYYARYYMT-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO C[NH2+]CC1([C@@H](N)CC(C)C)CC1 259367665 573204912 /nfs/dbraw/zinc/20/49/12/573204912.db2.gz KLTDMWZOHZMGJZ-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO CNCC1([C@@H]([NH3+])CC(C)C)CC1 259367665 573204913 /nfs/dbraw/zinc/20/49/13/573204913.db2.gz KLTDMWZOHZMGJZ-VIFPVBQESA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[N@@H+](C)[C@H](C)C[C@@H](C)N 82802691 573204930 /nfs/dbraw/zinc/20/49/30/573204930.db2.gz MQGOGWOXMQIBSF-RKDXNWHRSA-N 1 3 158.289 1.452 10 0 ADAEHO CC(C)[N@H+](C)[C@H](C)C[C@@H](C)N 82802691 573204932 /nfs/dbraw/zinc/20/49/32/573204932.db2.gz MQGOGWOXMQIBSF-RKDXNWHRSA-N 1 3 158.289 1.452 10 0 ADAEHO CC(C)N(C)[C@H](C)C[C@@H](C)[NH3+] 82802691 573204935 /nfs/dbraw/zinc/20/49/35/573204935.db2.gz MQGOGWOXMQIBSF-RKDXNWHRSA-N 1 3 158.289 1.452 10 0 ADAEHO CCN(C)[C@H](C)C[C@@H](C)[NH3+] 82801151 573204956 /nfs/dbraw/zinc/20/49/56/573204956.db2.gz WXPZEFLBYLYMJG-HTQZYQBOSA-N 1 3 144.262 1.064 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH+]1CCCCCC1 82800952 573205041 /nfs/dbraw/zinc/20/50/41/573205041.db2.gz VSABLCQDPVXPKM-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H](N)C[C@@H](C)[NH+]1CCCC1 82800817 573205128 /nfs/dbraw/zinc/20/51/28/573205128.db2.gz HQISEKIDBMYQKP-DTWKUNHWSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[NH+]1CCCC1 82800818 573205191 /nfs/dbraw/zinc/20/51/91/573205191.db2.gz HQISEKIDBMYQKP-RKDXNWHRSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CC[NH+]([C@H](C)C[C@@H](C)N)CC1 82800803 573205211 /nfs/dbraw/zinc/20/52/11/573205211.db2.gz PWFBZXKDMXCQOK-GHMZBOCLSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@@H+]1C[C@H](CN)CC1(C)C 259376673 573208214 /nfs/dbraw/zinc/20/82/14/573208214.db2.gz LAUCCYHBLSKGMH-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@H+]1C[C@H](CN)CC1(C)C 259376673 573208220 /nfs/dbraw/zinc/20/82/20/573208220.db2.gz LAUCCYHBLSKGMH-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238313167 573208258 /nfs/dbraw/zinc/20/82/58/573208258.db2.gz PMDGHGBMCAXGOL-FIQHERPVSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238313167 573208264 /nfs/dbraw/zinc/20/82/64/573208264.db2.gz PMDGHGBMCAXGOL-FIQHERPVSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H](N)c1csc([C@H]2CCC[NH2+]2)n1 257971662 573211498 /nfs/dbraw/zinc/21/14/98/573211498.db2.gz HALGPAIDCWQZFZ-RNFRBKRXSA-N 1 3 197.307 1.587 10 0 ADAEHO CN[C@H](C[C@@H](C)[NH3+])c1ccc(C)cc1 259603621 573214409 /nfs/dbraw/zinc/21/44/09/573214409.db2.gz XDKWBVSPMMLDHD-ZYHUDNBSSA-N 1 3 192.306 1.993 10 0 ADAEHO CCCN(C)C[C@@H](C[NH2+]C)C(C)C 259036746 573218285 /nfs/dbraw/zinc/21/82/85/573218285.db2.gz QXMKOPFDRYUNGC-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CCC[N@H+](C)C[C@@H](CNC)C(C)C 259036746 573218292 /nfs/dbraw/zinc/21/82/92/573218292.db2.gz QXMKOPFDRYUNGC-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CCC[N@@H+](C)C[C@@H](CNC)C(C)C 259036746 573218299 /nfs/dbraw/zinc/21/82/99/573218299.db2.gz QXMKOPFDRYUNGC-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CN(C)[C@H](C1CCC1)C1(C[NH3+])CC1 259380670 573220698 /nfs/dbraw/zinc/22/06/98/573220698.db2.gz GQFBTZWSNXVJRQ-SNVBAGLBSA-N 1 3 182.311 1.456 10 0 ADAEHO CN[C@@H](CC[NH3+])c1ccc(C)cc1C 259383954 573220871 /nfs/dbraw/zinc/22/08/71/573220871.db2.gz LBUQDQJEEPGKHI-LBPRGKRZSA-N 1 3 192.306 1.913 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](N)c1ccc(Cl)cc1 259379347 573220913 /nfs/dbraw/zinc/22/09/13/573220913.db2.gz NDMSGAJACZBZGG-XVKPBYJWSA-N 1 3 198.697 1.935 10 0 ADAEHO C[NH2+]C[C@H]1CCCN(C)C1(C)C 259384247 573220946 /nfs/dbraw/zinc/22/09/46/573220946.db2.gz LKFGSTUKXRFBFH-SECBINFHSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H](CN)[C@H](C1CCC1)[NH+](C)C 259380722 573220998 /nfs/dbraw/zinc/22/09/98/573220998.db2.gz GQPNJPCZBUTTMW-GXSJLCMTSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](CN)[C@@H](C1CCC1)[NH+](C)C 259380724 573224308 /nfs/dbraw/zinc/22/43/08/573224308.db2.gz GQPNJPCZBUTTMW-KOLCDFICSA-N 1 3 184.327 1.702 10 0 ADAEHO C1CNCC[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)C1 716592092 573224646 /nfs/dbraw/zinc/22/46/46/573224646.db2.gz SOOLMSDJIIENBH-IJLUTSLNSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[NH2+]CC[C@H](N[C@@H]2C[C@@H]2C2CC2)C1 716592092 573224651 /nfs/dbraw/zinc/22/46/51/573224651.db2.gz SOOLMSDJIIENBH-IJLUTSLNSA-N 1 3 194.322 1.517 10 0 ADAEHO CCN1CCC[C@H]([C@@H]2[NH2+][C@@H](C)CO2)C1 258599982 573226764 /nfs/dbraw/zinc/22/67/64/573226764.db2.gz QPEVYHNCUUPAJO-GARJFASQSA-N 1 3 198.310 1.053 10 0 ADAEHO CNC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012440 573226923 /nfs/dbraw/zinc/22/69/23/573226923.db2.gz XOHMQIDNISMPMM-AEJSXWLSSA-N 1 3 170.300 1.182 10 0 ADAEHO CNC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012440 573226928 /nfs/dbraw/zinc/22/69/28/573226928.db2.gz XOHMQIDNISMPMM-AEJSXWLSSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@@H]1CN[C@H](C[C@H]2CCC[N@H+](C)C2)O1 258600247 573227008 /nfs/dbraw/zinc/22/70/08/573227008.db2.gz QRXNSISWCJHXDV-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@H](C[C@H]2CCC[N@@H+](C)C2)O1 258600247 573227013 /nfs/dbraw/zinc/22/70/13/573227013.db2.gz QRXNSISWCJHXDV-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[C@H](CN)[C@H]([NH3+])C1CCCC1 259385833 573227047 /nfs/dbraw/zinc/22/70/47/573227047.db2.gz LDQGVWZTXFLNCI-WDEREUQCSA-N 1 3 184.327 1.735 10 0 ADAEHO C[NH2+]C[C@H](CN(C)C1CCC1)C(C)C 259040061 573227094 /nfs/dbraw/zinc/22/70/94/573227094.db2.gz RDLGTCIKAUERNL-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[NH+](C[C@@H]2CCC[C@@H]2N)C[C@H]1C 86012202 573227117 /nfs/dbraw/zinc/22/71/17/573227117.db2.gz AQOFNWZHWADTLC-WYUUTHIRSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)[C@H](C[NH3+])CNCc1ccc[nH]1 259038142 573227142 /nfs/dbraw/zinc/22/71/42/573227142.db2.gz QZUJJIGPSAQRKO-SNVBAGLBSA-N 1 3 195.310 1.335 10 0 ADAEHO CC(C)[C@@H](CN)[C@@H]([NH3+])C1CCCC1 259385829 573227728 /nfs/dbraw/zinc/22/77/28/573227728.db2.gz LDQGVWZTXFLNCI-MNOVXSKESA-N 1 3 184.327 1.735 10 0 ADAEHO CC1(C)CC[N@@H+](C2CC2)CCN1 259385235 573227831 /nfs/dbraw/zinc/22/78/31/573227831.db2.gz WMELOIPCXXKAOL-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)CC[N@H+](C2CC2)CCN1 259385235 573227838 /nfs/dbraw/zinc/22/78/38/573227838.db2.gz WMELOIPCXXKAOL-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]2)C[C@@H]1C 86015549 573227927 /nfs/dbraw/zinc/22/79/27/573227927.db2.gz JCPHWFYUQBWGPK-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CN[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009479 573228045 /nfs/dbraw/zinc/22/80/45/573228045.db2.gz JFHWBZPCTQODTI-KXUCPTDWSA-N 1 3 170.300 1.182 10 0 ADAEHO CN[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009479 573228051 /nfs/dbraw/zinc/22/80/51/573228051.db2.gz JFHWBZPCTQODTI-KXUCPTDWSA-N 1 3 170.300 1.182 10 0 ADAEHO C[C@@H]([C@@H]1CCC[N@H+](C)C1)N(C)C 259037925 573228056 /nfs/dbraw/zinc/22/80/56/573228056.db2.gz AQDGTXIJBXRNPW-VHSXEESVSA-N 1 3 170.300 1.278 10 0 ADAEHO C[C@@H]([C@@H]1CCC[N@@H+](C)C1)N(C)C 259037925 573228061 /nfs/dbraw/zinc/22/80/61/573228061.db2.gz AQDGTXIJBXRNPW-VHSXEESVSA-N 1 3 170.300 1.278 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CCC[C@@H]2CN)C[C@H]1C 86008586 573228088 /nfs/dbraw/zinc/22/80/88/573228088.db2.gz FADSMKZTJLVGEO-DDHJBXDOSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1CN[C@H](C[C@@H]2CCC[N@H+](C)C2)O1 258600253 573228124 /nfs/dbraw/zinc/22/81/24/573228124.db2.gz QRXNSISWCJHXDV-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1C[N@@H+](CC[C@@H](C)N)C[C@@H]1C 86009397 573229293 /nfs/dbraw/zinc/22/92/93/573229293.db2.gz CMFCUIPGLOKOON-KXUCPTDWSA-N 1 3 170.300 1.312 10 0 ADAEHO C1CNCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)C1 716592088 573229484 /nfs/dbraw/zinc/22/94/84/573229484.db2.gz SOOLMSDJIIENBH-GRYCIOLGSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[NH2+]CC[C@H](N[C@@H]2C[C@H]2C2CC2)C1 716592088 573229491 /nfs/dbraw/zinc/22/94/91/573229491.db2.gz SOOLMSDJIIENBH-GRYCIOLGSA-N 1 3 194.322 1.517 10 0 ADAEHO CCN1CCC[C@H]([C@H]2[NH2+][C@@H](C)CO2)C1 258599980 573229501 /nfs/dbraw/zinc/22/95/01/573229501.db2.gz QPEVYHNCUUPAJO-DCAQKATOSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC(CC)C[N@H+](C)C[C@H](C)CN 129103055 573229519 /nfs/dbraw/zinc/22/95/19/573229519.db2.gz BCHZGOFGJXSHOU-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC(CC)C[N@@H+](C)C[C@H](C)CN 129103055 573229524 /nfs/dbraw/zinc/22/95/24/573229524.db2.gz BCHZGOFGJXSHOU-SNVBAGLBSA-N 1 3 186.343 1.949 10 0 ADAEHO CNC[C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 86011423 573229623 /nfs/dbraw/zinc/22/96/23/573229623.db2.gz BKOURUZSWBCJFA-HBNTYKKESA-N 1 3 184.327 1.430 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H]2CCCNCC2)C[C@@H]1C 86012626 573229701 /nfs/dbraw/zinc/22/97/01/573229701.db2.gz GUTOQDFTARRMJQ-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCNCC2)C[C@@H]1C 86012626 573229707 /nfs/dbraw/zinc/22/97/07/573229707.db2.gz GUTOQDFTARRMJQ-GRYCIOLGSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H]1C[N@H+]([C@@H](C)CCN)C[C@@H]1C 86008517 573229755 /nfs/dbraw/zinc/22/97/55/573229755.db2.gz HPAWWRAPYFNOPN-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@@H]1C[N@@H+]([C@@H](C)CCN)C[C@@H]1C 86008517 573229761 /nfs/dbraw/zinc/22/97/61/573229761.db2.gz HPAWWRAPYFNOPN-AEJSXWLSSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H]1C[C@@](C)(CC)[NH2+]CCN1 238322747 573234369 /nfs/dbraw/zinc/23/43/69/573234369.db2.gz CXWAGZQSXAGBGN-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@H]1C[C@@](C)(CC)NCC[NH2+]1 238322747 573234372 /nfs/dbraw/zinc/23/43/72/573234372.db2.gz CXWAGZQSXAGBGN-VHSXEESVSA-N 1 3 170.300 1.517 10 0 ADAEHO [NH3+]CCCc1cccc2c1CNC2 258243683 573234742 /nfs/dbraw/zinc/23/47/42/573234742.db2.gz SOHUAJHOYVIHCC-UHFFFAOYSA-N 1 3 176.263 1.181 10 0 ADAEHO C[C@H]1C[C@H](C)CC(N)(C[NH3+])C1 82849682 573235296 /nfs/dbraw/zinc/23/52/96/573235296.db2.gz HHEQNCNNTGMLBS-YUMQZZPRSA-N 1 3 156.273 1.099 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](CNC)[C@@H]1C 259387601 573235642 /nfs/dbraw/zinc/23/56/42/573235642.db2.gz WRLNGUWWAKYPCH-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](CNC)[C@@H]1C 259387601 573235646 /nfs/dbraw/zinc/23/56/46/573235646.db2.gz WRLNGUWWAKYPCH-GARJFASQSA-N 1 3 184.327 1.715 10 0 ADAEHO CN1C[C@H]2CCCC[C@H]1C[NH2+]C2 238323249 573235655 /nfs/dbraw/zinc/23/56/55/573235655.db2.gz SZEFBCDPUDHTMO-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@@H+]1C[C@H]2CCCC[C@H]1CNC2 238323249 573235663 /nfs/dbraw/zinc/23/56/63/573235663.db2.gz SZEFBCDPUDHTMO-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1C[C@H]2CCCC[C@H]1CNC2 238323249 573235667 /nfs/dbraw/zinc/23/56/67/573235667.db2.gz SZEFBCDPUDHTMO-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1C[C@@H](C)CC(N)(C[NH3+])C1 82849683 573235702 /nfs/dbraw/zinc/23/57/02/573235702.db2.gz HHEQNCNNTGMLBS-HTQZYQBOSA-N 1 3 156.273 1.099 10 0 ADAEHO CC(C)(CN)C[NH2+]C[C@@H]1CC=CCC1 308526911 573235703 /nfs/dbraw/zinc/23/57/03/573235703.db2.gz JKYYFHSARGUHGE-LLVKDONJSA-N 1 3 196.338 1.917 10 0 ADAEHO CC[C@H](NC)[C@H]1CCCC[NH2+]1 259389948 573238747 /nfs/dbraw/zinc/23/87/47/573238747.db2.gz MHFOGWQHJVVVJY-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@H](N)[C@@H](C[NH2+]C)C(C)C 259390170 573238822 /nfs/dbraw/zinc/23/88/22/573238822.db2.gz LJNJXBKTIMYJJM-UWVGGRQHSA-N 1 3 172.316 1.605 10 0 ADAEHO CCC(CC)CN(C)C[C@@H](C)C(N)=[NH2+] 129157264 573241385 /nfs/dbraw/zinc/24/13/85/573241385.db2.gz MWIAXXQXFZRMLF-SECBINFHSA-N 1 3 199.342 1.926 10 0 ADAEHO CCN(C)CC1(C[NH2+]C)CCC1 259045117 573242118 /nfs/dbraw/zinc/24/21/18/573242118.db2.gz RSBZHMFNAOTNDI-UHFFFAOYSA-N 1 3 170.300 1.328 10 0 ADAEHO CC(C)(C)C[C@@H](C[NH3+])CN1CC=CC1 308521680 573242844 /nfs/dbraw/zinc/24/28/44/573242844.db2.gz SXVQJXZLIPSCBO-NSHDSACASA-N 1 3 196.338 1.869 10 0 ADAEHO CC[C@@H](C)[NH2+]CC1(CNC)CCC1 258607303 573243273 /nfs/dbraw/zinc/24/32/73/573243273.db2.gz ICXJTVAWOSUVEF-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CC1(C)CCC1 308320956 573243513 /nfs/dbraw/zinc/24/35/13/573243513.db2.gz BBHFCRAPVLBLTH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@H+](C)CC1(C)CCC1 308320956 573243518 /nfs/dbraw/zinc/24/35/18/573243518.db2.gz BBHFCRAPVLBLTH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H](N)CC[N@@H+](C)CC1(C)CCC1 308320956 573243525 /nfs/dbraw/zinc/24/35/25/573243525.db2.gz BBHFCRAPVLBLTH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1C[C@H]1C1CC1 716639786 573243690 /nfs/dbraw/zinc/24/36/90/573243690.db2.gz OUOHGFXLOATSBQ-KXGXSXBTSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1C[C@H]1C1CC1 716639786 573243696 /nfs/dbraw/zinc/24/36/96/573243696.db2.gz OUOHGFXLOATSBQ-KXGXSXBTSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1C[C@H]1C1CC1 716639786 573243705 /nfs/dbraw/zinc/24/37/05/573243705.db2.gz OUOHGFXLOATSBQ-KXGXSXBTSA-N 1 3 194.322 1.597 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H](N)C1CCC1 259390205 573243748 /nfs/dbraw/zinc/24/37/48/573243748.db2.gz LJSLPCCQAAVKAD-QWRGUYRKSA-N 1 3 184.327 1.605 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]([NH3+])C1CCC1 259390205 573243753 /nfs/dbraw/zinc/24/37/53/573243753.db2.gz LJSLPCCQAAVKAD-QWRGUYRKSA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](CC[NH3+])N(C)CC1(C)CCC1 308320200 573245435 /nfs/dbraw/zinc/24/54/35/573245435.db2.gz APLTURMCMGJDEF-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@@H](N)C1CCC1 259390202 573245477 /nfs/dbraw/zinc/24/54/77/573245477.db2.gz LJSLPCCQAAVKAD-MNOVXSKESA-N 1 3 184.327 1.605 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]([NH3+])C1CCC1 259390202 573245480 /nfs/dbraw/zinc/24/54/80/573245480.db2.gz LJSLPCCQAAVKAD-MNOVXSKESA-N 1 3 184.327 1.605 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@H](N)C1CCC1 259390200 573245536 /nfs/dbraw/zinc/24/55/36/573245536.db2.gz LJSLPCCQAAVKAD-GHMZBOCLSA-N 1 3 184.327 1.605 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]([NH3+])C1CCC1 259390200 573245551 /nfs/dbraw/zinc/24/55/51/573245551.db2.gz LJSLPCCQAAVKAD-GHMZBOCLSA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)C1CC([NH2+]C[C@H]2CCN2)C1 714659700 573245553 /nfs/dbraw/zinc/24/55/53/573245553.db2.gz MAXXQOXZUIEPEW-HSOILSAZSA-N 1 3 182.311 1.373 10 0 ADAEHO N[C@@]1(C[NH3+])CCC[C@@H](C(F)(F)F)C1 82862924 573245569 /nfs/dbraw/zinc/24/55/69/573245569.db2.gz KKCXKEPOBRLACR-RQJHMYQMSA-N 1 3 196.216 1.395 10 0 ADAEHO CNCC[C@H](C)[NH2+]C[C@@H]1CC=CCC1 323114865 573245636 /nfs/dbraw/zinc/24/56/36/573245636.db2.gz GWHXTTKBWVGHQU-NWDGAFQWSA-N 1 3 196.338 1.930 10 0 ADAEHO N[C@]1(C[NH3+])CCC[C@@H](C(F)(F)F)C1 82862926 573245648 /nfs/dbraw/zinc/24/56/48/573245648.db2.gz KKCXKEPOBRLACR-RNFRBKRXSA-N 1 3 196.216 1.395 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1C[C@H]1C1CC1 716639799 573245935 /nfs/dbraw/zinc/24/59/35/573245935.db2.gz OUOHGFXLOATSBQ-YJQGPUDQSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H]1C[C@H]1C1CC1 716639799 573245940 /nfs/dbraw/zinc/24/59/40/573245940.db2.gz OUOHGFXLOATSBQ-YJQGPUDQSA-N 1 3 194.322 1.597 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H]1C[C@H]1C1CC1 716639799 573245946 /nfs/dbraw/zinc/24/59/46/573245946.db2.gz OUOHGFXLOATSBQ-YJQGPUDQSA-N 1 3 194.322 1.597 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCc1ccc[nH]1 259044885 573246709 /nfs/dbraw/zinc/24/67/09/573246709.db2.gz RQIIFCVCSCILAI-SNVBAGLBSA-N 1 3 195.310 1.132 10 0 ADAEHO CC[C@H](C[NH3+])CNCCc1ccc[nH]1 259044885 573246717 /nfs/dbraw/zinc/24/67/17/573246717.db2.gz RQIIFCVCSCILAI-SNVBAGLBSA-N 1 3 195.310 1.132 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H](N)C1CCC1 259390208 573246859 /nfs/dbraw/zinc/24/68/59/573246859.db2.gz LJSLPCCQAAVKAD-WDEREUQCSA-N 1 3 184.327 1.605 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]([NH3+])C1CCC1 259390208 573246866 /nfs/dbraw/zinc/24/68/66/573246866.db2.gz LJSLPCCQAAVKAD-WDEREUQCSA-N 1 3 184.327 1.605 10 0 ADAEHO CCCC[NH2+][C@@H]1CCNC(C)(C)C1 258610660 573246942 /nfs/dbraw/zinc/24/69/42/573246942.db2.gz BHDUVCPJJMWOJS-SNVBAGLBSA-N 1 3 184.327 1.907 10 0 ADAEHO CCCC[NH2+][C@H]1CCNC(C)(C)C1 258610656 573247039 /nfs/dbraw/zinc/24/70/39/573247039.db2.gz BHDUVCPJJMWOJS-JTQLQIEISA-N 1 3 184.327 1.907 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)CCN1 716636358 573247042 /nfs/dbraw/zinc/24/70/42/573247042.db2.gz NEUCCGHHJVHDHF-HKWIRBFKSA-N 1 3 194.322 1.515 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C2CC2)CC[NH2+]1 716636358 573247051 /nfs/dbraw/zinc/24/70/51/573247051.db2.gz NEUCCGHHJVHDHF-HKWIRBFKSA-N 1 3 194.322 1.515 10 0 ADAEHO CCC[C@H](N)[C@H](C[NH2+]C)C(C)C 259390175 573246488 /nfs/dbraw/zinc/24/64/88/573246488.db2.gz LJNJXBKTIMYJJM-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO CNC[C@@H](C[NH2+]C1CCC1)C(C)C 259050343 573249787 /nfs/dbraw/zinc/24/97/87/573249787.db2.gz RZPWAHRTMZBOOF-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO C[C@@H]1CO[C@@](C)(C[C@H]2CC[N@H+](C)C2)N1 258247913 573249749 /nfs/dbraw/zinc/24/97/49/573249749.db2.gz ALBUTNQTTHJOMH-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@@](C)(C[C@H]2CC[N@@H+](C)C2)N1 258247913 573249756 /nfs/dbraw/zinc/24/97/56/573249756.db2.gz ALBUTNQTTHJOMH-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO CNC[C@H](C[NH2+]C1CCC1)C(C)C 259050345 573250875 /nfs/dbraw/zinc/25/08/75/573250875.db2.gz RZPWAHRTMZBOOF-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO C[NH2+]C[C@H](CNC1CCC1)C(C)C 259050345 573250878 /nfs/dbraw/zinc/25/08/78/573250878.db2.gz RZPWAHRTMZBOOF-SNVBAGLBSA-N 1 3 184.327 1.620 10 0 ADAEHO CN(C)[C@@H](C1CCCC1)[C@H]1CC[NH2+]C1 259391665 573250982 /nfs/dbraw/zinc/25/09/82/573250982.db2.gz GZCJPPKTFXSCGG-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO CNCc1cc2c(C[NH3+])cccc2o1 257979029 573253803 /nfs/dbraw/zinc/25/38/03/573253803.db2.gz JKHHVBYQSNCAJK-UHFFFAOYSA-N 1 3 190.246 1.611 10 0 ADAEHO CC(C)[C@@H]1CC[C@](C)(N)[C@@H]([NH3+])C1 116132981 573253806 /nfs/dbraw/zinc/25/38/06/573253806.db2.gz XGOKOSVLIDVVSC-UTLUCORTSA-N 1 3 170.300 1.487 10 0 ADAEHO CC[C@@H](CN)C[NH2+]CCC(C)C 258612991 573253829 /nfs/dbraw/zinc/25/38/29/573253829.db2.gz IRFXQLGUNYPABB-JTQLQIEISA-N 1 3 172.316 1.607 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH2+]C)C(C)(C)C 259395453 573255368 /nfs/dbraw/zinc/25/53/68/573255368.db2.gz WOQLMJIBRUIYGE-RKDXNWHRSA-N 1 3 172.316 1.605 10 0 ADAEHO Cc1ccc([C@@H](CCC[NH3+])N(C)C)o1 259394895 573255441 /nfs/dbraw/zinc/25/54/41/573255441.db2.gz HDYHQBSFBWGGIG-SNVBAGLBSA-N 1 3 196.294 1.930 10 0 ADAEHO C[C@@H](C[NH2+]CC1CCC1)CN(C)C 308329002 573255566 /nfs/dbraw/zinc/25/55/66/573255566.db2.gz JCTJDYHWZGYBFQ-JTQLQIEISA-N 1 3 184.327 1.574 10 0 ADAEHO CC[C@@H]1CCN(C[C@@H]([NH3+])CC2CC2)C1 308529746 573255596 /nfs/dbraw/zinc/25/55/96/573255596.db2.gz JWJOJMHLTPJQPX-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([NH2+][C@@H]1CC=CCC1)C1CNC1 686242559 573255633 /nfs/dbraw/zinc/25/56/33/573255633.db2.gz BVSTXXMZHBEVRK-GXSJLCMTSA-N 1 3 180.295 1.293 10 0 ADAEHO CC[C@H](CN)C[NH2+]CC1CCC1 259054466 573255678 /nfs/dbraw/zinc/25/56/78/573255678.db2.gz SHQYZMOJMIZQNH-SECBINFHSA-N 1 3 170.300 1.361 10 0 ADAEHO CC[C@H]1CCN(C[C@H]([NH3+])CC2CC2)C1 308529740 573255754 /nfs/dbraw/zinc/25/57/54/573255754.db2.gz JWJOJMHLTPJQPX-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO Cc1ccc([C@H](CCC[NH3+])N(C)C)o1 259394889 573255778 /nfs/dbraw/zinc/25/57/78/573255778.db2.gz HDYHQBSFBWGGIG-JTQLQIEISA-N 1 3 196.294 1.930 10 0 ADAEHO CC(C)(C)[C@@H](CN)C[NH+]1CCCC1 258259693 573256247 /nfs/dbraw/zinc/25/62/47/573256247.db2.gz TXUAOZULQQDRQD-JTQLQIEISA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+](C)CCC1CC1 393578608 573256964 /nfs/dbraw/zinc/25/69/64/573256964.db2.gz CKROVQDSWGVEOU-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+](C)CCC1CC1 393578608 573256968 /nfs/dbraw/zinc/25/69/68/573256968.db2.gz CKROVQDSWGVEOU-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO CN[C@H](C[C@@H](C)[NH3+])c1cc[nH]c1 259398679 573256973 /nfs/dbraw/zinc/25/69/73/573256973.db2.gz LSWCZWYKUBFKPI-VXNVDRBHSA-N 1 3 167.256 1.013 10 0 ADAEHO CC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749389 573257074 /nfs/dbraw/zinc/25/70/74/573257074.db2.gz OZFBTYWYRNXTQO-UBJLHIIHSA-N 1 3 182.311 1.739 10 0 ADAEHO CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40749389 573257077 /nfs/dbraw/zinc/25/70/77/573257077.db2.gz OZFBTYWYRNXTQO-UBJLHIIHSA-N 1 3 182.311 1.739 10 0 ADAEHO CN(C)C[C@@H]1CCCCCC[C@H]1[NH3+] 238319155 573257105 /nfs/dbraw/zinc/25/71/05/573257105.db2.gz ZMXPUFOCGZANLV-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CN[C@@H](C[C@@H](C)[NH3+])c1ccc[nH]1 259398692 573258070 /nfs/dbraw/zinc/25/80/70/573258070.db2.gz LTEAOORJOWHHND-APPZFPTMSA-N 1 3 167.256 1.013 10 0 ADAEHO CCC[NH2+]CC[C@@H](N)C(C)C 129219907 573258075 /nfs/dbraw/zinc/25/80/75/573258075.db2.gz VEYBGPQZIFCIPG-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO CCN1CC[C@@H]([C@H]([NH3+])CSC)C1 257980461 573258090 /nfs/dbraw/zinc/25/80/90/573258090.db2.gz CMFUOQDYZFHPPY-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO CC(C)[C@H]([NH3+])CCNC1CC1 129222311 573259909 /nfs/dbraw/zinc/25/99/09/573259909.db2.gz WYZRHHJUCSGVNW-SECBINFHSA-N 1 3 156.273 1.112 10 0 ADAEHO CN[C@@H](C[C@H](C)[NH3+])c1cc[nH]c1 259398677 573259973 /nfs/dbraw/zinc/25/99/73/573259973.db2.gz LSWCZWYKUBFKPI-CBAPKCEASA-N 1 3 167.256 1.013 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1NC1CC([NH3+])C1 716653464 573260014 /nfs/dbraw/zinc/26/00/14/573260014.db2.gz TXEIRPVOSDUWGF-WMYPLLLOSA-N 1 3 180.295 1.110 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1[NH2+]C1CC(N)C1 716653464 573260018 /nfs/dbraw/zinc/26/00/18/573260018.db2.gz TXEIRPVOSDUWGF-WMYPLLLOSA-N 1 3 180.295 1.110 10 0 ADAEHO CC[C@@H](C)[NH2+]CC[C@H](N)C(C)C 129221466 573261231 /nfs/dbraw/zinc/26/12/31/573261231.db2.gz GHAIRNQICCMGFZ-ZJUUUORDSA-N 1 3 172.316 1.748 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](CN)C1 716650923 573261327 /nfs/dbraw/zinc/26/13/27/573261327.db2.gz LYONTJDTAWTKEG-GCHJQGSQSA-N 1 3 194.322 1.312 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[N@H+]1CC[C@H](CN)C1 716650923 573261335 /nfs/dbraw/zinc/26/13/35/573261335.db2.gz LYONTJDTAWTKEG-GCHJQGSQSA-N 1 3 194.322 1.312 10 0 ADAEHO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](C)CN 308332901 573261362 /nfs/dbraw/zinc/26/13/62/573261362.db2.gz LTMZWNCVMBESCF-DCAQKATOSA-N 1 3 186.343 1.996 10 0 ADAEHO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](C)CN 308332904 573261386 /nfs/dbraw/zinc/26/13/86/573261386.db2.gz LTMZWNCVMBESCF-HBNTYKKESA-N 1 3 186.343 1.996 10 0 ADAEHO CC(C)[C@H]([NH3+])CCN[C@@H]1CC1(C)C 129252044 573270321 /nfs/dbraw/zinc/27/03/21/573270321.db2.gz GSZWFYFWRRSXOP-NXEZZACHSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C1CC(C2CC2)C1 714666822 573270460 /nfs/dbraw/zinc/27/04/60/573270460.db2.gz ZLZILXBCEBYPDJ-GCVQQVDUSA-N 1 3 196.338 1.750 10 0 ADAEHO CCC1CN(CC(C)(C)C[NH3+])C1 129234467 573270699 /nfs/dbraw/zinc/27/06/99/573270699.db2.gz DAEUNUBFSQPYLQ-UHFFFAOYSA-N 1 3 170.300 1.313 10 0 ADAEHO CCC1C[NH+](CC(C)(C)CN)C1 129234467 573270715 /nfs/dbraw/zinc/27/07/15/573270715.db2.gz DAEUNUBFSQPYLQ-UHFFFAOYSA-N 1 3 170.300 1.313 10 0 ADAEHO CC[C@H]1CCC[N@H+]1C[C@@H](CC)NC 50179406 573270721 /nfs/dbraw/zinc/27/07/21/573270721.db2.gz CENWXPVNNPRHHH-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H]1CCC[N@@H+]1C[C@@H](CC)NC 50179406 573270724 /nfs/dbraw/zinc/27/07/24/573270724.db2.gz CENWXPVNNPRHHH-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H](C[NH3+])c1coc([C@@H]2CCCN2)n1 258273199 573270885 /nfs/dbraw/zinc/27/08/85/573270885.db2.gz XZRRMPGBGZIXPQ-YUMQZZPRSA-N 1 3 195.266 1.161 10 0 ADAEHO CC(C)[C@H]([NH3+])CCN[C@H]1CC1(C)C 129252494 573273189 /nfs/dbraw/zinc/27/31/89/573273189.db2.gz GSZWFYFWRRSXOP-ZJUUUORDSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1N 82922456 573280825 /nfs/dbraw/zinc/28/08/25/573280825.db2.gz UNMBDYJZQLWIQY-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CCCC[C@@H]1[NH3+] 82922456 573280834 /nfs/dbraw/zinc/28/08/34/573280834.db2.gz UNMBDYJZQLWIQY-RCWTZXSCSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@H]1CCC[C@@H]1[NH3+] 82922422 573280932 /nfs/dbraw/zinc/28/09/32/573280932.db2.gz BHOZLIVMTBDRSM-UTLUCORTSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1N 82922422 573280938 /nfs/dbraw/zinc/28/09/38/573280938.db2.gz BHOZLIVMTBDRSM-UTLUCORTSA-N 1 3 182.311 1.502 10 0 ADAEHO CC(C)(C)[NH2+]C[C@@H]1CCC[C@@H]1N 82922224 573281051 /nfs/dbraw/zinc/28/10/51/573281051.db2.gz FSQZIGSOWAXPDZ-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)[NH2+]C[C@H]1CCC[C@@H]1N 82922225 573281151 /nfs/dbraw/zinc/28/11/51/573281151.db2.gz FSQZIGSOWAXPDZ-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO N[C@H]1CCCC[C@H]1C[NH2+]C1CCC1 82922448 573281248 /nfs/dbraw/zinc/28/12/48/573281248.db2.gz AESTTYWVRHKIMG-ONGXEEELSA-N 1 3 182.311 1.646 10 0 ADAEHO CC(C)(C)[NH2+]C[C@H]1CCC[C@H]1N 82922227 573281311 /nfs/dbraw/zinc/28/13/11/573281311.db2.gz FSQZIGSOWAXPDZ-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCC[C@@H]1N 82922216 573281545 /nfs/dbraw/zinc/28/15/45/573281545.db2.gz FDLYHTUXBJCCPL-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1N 82922228 573281555 /nfs/dbraw/zinc/28/15/55/573281555.db2.gz QRZPLWJHGABAGD-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C 308537595 573281800 /nfs/dbraw/zinc/28/18/00/573281800.db2.gz MQDZGJCDUFGTIZ-TUAOUCFPSA-N 1 3 198.354 1.996 10 0 ADAEHO CN1CC[C@H]([NH3+])[C@@H](CC2CC2)C1 238332937 573281896 /nfs/dbraw/zinc/28/18/96/573281896.db2.gz ZVNRMMIZZCLYPS-UWVGGRQHSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC[C@@H](C1CC1)[N@@H+]1CC[C@@H](CN)C1 308539544 573281898 /nfs/dbraw/zinc/28/18/98/573281898.db2.gz MHACJYSNIKILQL-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1N 82922221 573281903 /nfs/dbraw/zinc/28/19/03/573281903.db2.gz QXBUJVRNRMOYRT-ZJUUUORDSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[C@@H](C1CC1)[N@H+]1CC[C@@H](CN)C1 308539544 573281905 /nfs/dbraw/zinc/28/19/05/573281905.db2.gz MHACJYSNIKILQL-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO N[C@@H]1CCC[C@H]1C[NH2+]C1CCC1 82922454 573283568 /nfs/dbraw/zinc/28/35/68/573283568.db2.gz JCCAVNYSBHOIPJ-WCBMZHEXSA-N 1 3 168.284 1.256 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCC[C@@H]1N 82922284 573283626 /nfs/dbraw/zinc/28/36/26/573283626.db2.gz FMYWIFWBESETIW-IUCAKERBSA-N 1 3 156.273 1.113 10 0 ADAEHO CC(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1N 82922220 573283663 /nfs/dbraw/zinc/28/36/63/573283663.db2.gz QXBUJVRNRMOYRT-UWVGGRQHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@H](CNC)C[NH2+]C1CCC1 259069569 573283683 /nfs/dbraw/zinc/28/36/83/573283683.db2.gz UHZJGGDOZXVLJC-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@@H](CNC1CCC1)C[NH2+]C 259069569 573283690 /nfs/dbraw/zinc/28/36/90/573283690.db2.gz UHZJGGDOZXVLJC-SECBINFHSA-N 1 3 170.300 1.374 10 0 ADAEHO CC[NH2+]C[C@H]1CCCC[C@@H]1N 82922285 573283707 /nfs/dbraw/zinc/28/37/07/573283707.db2.gz FMYWIFWBESETIW-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CO[C@@](C)([C@H]2CCCN(C)C2)[NH2+]1 258619043 573283714 /nfs/dbraw/zinc/28/37/14/573283714.db2.gz REOKYFYEMUYEDJ-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH+](C)[C@H](C1CCC1)[C@H]1CCCNC1 259402719 573283715 /nfs/dbraw/zinc/28/37/15/573283715.db2.gz HKDWSTKNPYCOPN-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[NH2+]C[C@H]1CCC[C@@H]1N 82922217 573283769 /nfs/dbraw/zinc/28/37/69/573283769.db2.gz FDLYHTUXBJCCPL-BDAKNGLRSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CO[C@@](C)([C@@H]2CCCN(C)C2)[NH2+]1 258618991 573283810 /nfs/dbraw/zinc/28/38/10/573283810.db2.gz REOKYFYEMUYEDJ-MXWKQRLJSA-N 1 3 198.310 1.053 10 0 ADAEHO N[C@@H]1CCC[C@@H]1C[NH2+]C1CCC1 82922455 573283891 /nfs/dbraw/zinc/28/38/91/573283891.db2.gz JCCAVNYSBHOIPJ-PSASIEDQSA-N 1 3 168.284 1.256 10 0 ADAEHO CN(CCC1CC1)CCC1([NH3+])CCC1 308537573 573283896 /nfs/dbraw/zinc/28/38/96/573283896.db2.gz TVTZONSFSXREOW-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@@H]1CO[C@](C)([C@@H]2CCCN(C)C2)[NH2+]1 258618958 573283951 /nfs/dbraw/zinc/28/39/51/573283951.db2.gz REOKYFYEMUYEDJ-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 308539546 573284014 /nfs/dbraw/zinc/28/40/14/573284014.db2.gz MHACJYSNIKILQL-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC[C@@H](C1CC1)[N@H+]1CC[C@H](CN)C1 308539546 573284021 /nfs/dbraw/zinc/28/40/21/573284021.db2.gz MHACJYSNIKILQL-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CO[C@](C)([C@H]2CCCN(C)C2)[NH2+]1 258619018 573284370 /nfs/dbraw/zinc/28/43/70/573284370.db2.gz REOKYFYEMUYEDJ-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@H](CNC)C[NH2+]C1CCC1 259069572 573284499 /nfs/dbraw/zinc/28/44/99/573284499.db2.gz UHZJGGDOZXVLJC-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO CC[C@H](CNC1CCC1)C[NH2+]C 259069572 573284505 /nfs/dbraw/zinc/28/45/05/573284505.db2.gz UHZJGGDOZXVLJC-VIFPVBQESA-N 1 3 170.300 1.374 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCC[C@@H]1N 82922232 573284530 /nfs/dbraw/zinc/28/45/30/573284530.db2.gz KNMDMVMQBAVXFK-IUCAKERBSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)[NH2+]C[C@H]1CCCC[C@@H]1N 82922229 573284647 /nfs/dbraw/zinc/28/46/47/573284647.db2.gz QRZPLWJHGABAGD-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[NH2+]C[C@@H]1CCCC[C@H]1N 82922286 573284801 /nfs/dbraw/zinc/28/48/01/573284801.db2.gz FMYWIFWBESETIW-DTWKUNHWSA-N 1 3 156.273 1.113 10 0 ADAEHO C[NH+](C)[C@H](C1CCC1)[C@@H]1CCCNC1 259402728 573285133 /nfs/dbraw/zinc/28/51/33/573285133.db2.gz HKDWSTKNPYCOPN-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH2+]C)C1CCC1 259067769 573285377 /nfs/dbraw/zinc/28/53/77/573285377.db2.gz BSJNEJACEIRDMJ-WPRPVWTQSA-N 1 3 170.300 1.359 10 0 ADAEHO N[C@H](CC[NH3+])c1ccc(Cl)cc1 116456864 573285479 /nfs/dbraw/zinc/28/54/79/573285479.db2.gz VRPAHODIJCPSKH-SECBINFHSA-N 1 3 184.670 1.689 10 0 ADAEHO CC[C@H](CN)[C@H]([NH2+]C)C1CCC1 259067763 573285564 /nfs/dbraw/zinc/28/55/64/573285564.db2.gz BSJNEJACEIRDMJ-SCZZXKLOSA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+][C@H]1CC[C@H]1C 308537596 573285566 /nfs/dbraw/zinc/28/55/66/573285566.db2.gz MQDZGJCDUFGTIZ-UTUOFQBUSA-N 1 3 198.354 1.996 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@@H](CN)C1(C)C 259405015 573290761 /nfs/dbraw/zinc/29/07/61/573290761.db2.gz MMYPJSBLCKBSDV-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@@H](CN)C1(C)C 259405015 573290764 /nfs/dbraw/zinc/29/07/64/573290764.db2.gz MMYPJSBLCKBSDV-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]([C@H]2CCCCN2C)C[NH2+]1 257996833 573293884 /nfs/dbraw/zinc/29/38/84/573293884.db2.gz ADBRCDHCFIOPDV-GMTAPVOTSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[NH+](CC)C1C[C@@H](C)N[C@H](C)C1 74282393 573298164 /nfs/dbraw/zinc/29/81/64/573298164.db2.gz KMUYOVQZMGCIRO-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(CC)C1C[C@@H](C)[NH2+][C@H](C)C1 74282393 573298171 /nfs/dbraw/zinc/29/81/71/573298171.db2.gz KMUYOVQZMGCIRO-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CC(C)(C)[C@@H]([NH3+])C1(CN)CCC1 259407234 573298060 /nfs/dbraw/zinc/29/80/60/573298060.db2.gz MBLXEKQXIJQLKC-MRVPVSSYSA-N 1 3 170.300 1.489 10 0 ADAEHO CN(C)Cc1ccnc(C2([NH3+])CC2)c1 238335464 573298139 /nfs/dbraw/zinc/29/81/39/573298139.db2.gz WAIFHQCBZVHHLW-UHFFFAOYSA-N 1 3 191.278 1.091 10 0 ADAEHO C[NH2+][C@H](CC(C)C)C(C)(C)CN 259606361 573305819 /nfs/dbraw/zinc/30/58/19/573305819.db2.gz XHJWOCNDDRIPPK-SECBINFHSA-N 1 3 172.316 1.605 10 0 ADAEHO C[C@@H](CN)[C@@H](C1CCCC1)[NH+](C)C 259408441 573305938 /nfs/dbraw/zinc/30/59/38/573305938.db2.gz HPHLMVJORCUHDJ-ONGXEEELSA-N 1 3 184.327 1.702 10 0 ADAEHO C[NH+](C)CCC[C@H](N)c1ccco1 74300479 573306029 /nfs/dbraw/zinc/30/60/29/573306029.db2.gz JXURRAJWWWNGFF-VIFPVBQESA-N 1 3 182.267 1.621 10 0 ADAEHO CN(c1ccncc1)[C@@H]1CCC[C@H]1[NH3+] 259075458 573306094 /nfs/dbraw/zinc/30/60/94/573306094.db2.gz QYDJJOPLGPUJFJ-GHMZBOCLSA-N 1 3 191.278 1.398 10 0 ADAEHO C[NH2+][C@@H](C)c1csc(CN)c1 258625782 573306202 /nfs/dbraw/zinc/30/62/02/573306202.db2.gz XDZRZFCESQBTKZ-LURJTMIESA-N 1 3 170.281 1.487 10 0 ADAEHO C[NH2+][C@@H]1[C@H](C)CN(C)[C@@H](C)[C@@H]1C 238340681 573308066 /nfs/dbraw/zinc/30/80/66/573308066.db2.gz JDYBABICYWXREW-XFWSIPNHSA-N 1 3 170.300 1.181 10 0 ADAEHO CCC[C@@H]1C[N@H+](CC)[C@H](C)CCN1 82943068 573308103 /nfs/dbraw/zinc/30/81/03/573308103.db2.gz NTUWORPEMOZQQI-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1C[N@@H+](CC)[C@H](C)CCN1 82943068 573308111 /nfs/dbraw/zinc/30/81/11/573308111.db2.gz NTUWORPEMOZQQI-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1CN(CC)[C@H](C)CC[NH2+]1 82943068 573308114 /nfs/dbraw/zinc/30/81/14/573308114.db2.gz NTUWORPEMOZQQI-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN1CCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258255350 573308139 /nfs/dbraw/zinc/30/81/39/573308139.db2.gz QWENZZNXGMDBJU-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+]1CCCNC(CC)(CC)C1 82942187 573308427 /nfs/dbraw/zinc/30/84/27/573308427.db2.gz NXESERAHMHTNJB-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[N@H+]1CCCNC(CC)(CC)C1 82942187 573308432 /nfs/dbraw/zinc/30/84/32/573308432.db2.gz NXESERAHMHTNJB-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCN1CCC[NH2+]C(CC)(CC)C1 82942187 573308437 /nfs/dbraw/zinc/30/84/37/573308437.db2.gz NXESERAHMHTNJB-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CN[C@H](c1cccc(F)c1)[C@@H](C)C[NH3+] 259411599 573308457 /nfs/dbraw/zinc/30/84/57/573308457.db2.gz MFMYUVLRXUSFFE-KWQFWETISA-N 1 3 196.269 1.681 10 0 ADAEHO CC(C)CC[NH2+]CCC(C)(C)N 258624517 573308541 /nfs/dbraw/zinc/30/85/41/573308541.db2.gz CKJLDGPCCDXJJS-UHFFFAOYSA-N 1 3 172.316 1.750 10 0 ADAEHO C[N@@H+]1CCCNC2(CCCC2)C1 82941666 573309827 /nfs/dbraw/zinc/30/98/27/573309827.db2.gz AGZJFDMKFRQQMY-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO C[N@H+]1CCCNC2(CCCC2)C1 82941666 573309833 /nfs/dbraw/zinc/30/98/33/573309833.db2.gz AGZJFDMKFRQQMY-UHFFFAOYSA-N 1 3 168.284 1.224 10 0 ADAEHO CNCC[C@@H]1CCC[C@H](C)[NH2+]1 238346527 573310087 /nfs/dbraw/zinc/31/00/87/573310087.db2.gz GJOAXLKXJKBIPB-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO C[NH2+]CC[C@@H]1CCC[C@H](C)N1 238346527 573310091 /nfs/dbraw/zinc/31/00/91/573310091.db2.gz GJOAXLKXJKBIPB-IUCAKERBSA-N 1 3 156.273 1.127 10 0 ADAEHO CNCC[C@@H]1CCC[C@@H](C)[NH2+]1 238346492 573310225 /nfs/dbraw/zinc/31/02/25/573310225.db2.gz GJOAXLKXJKBIPB-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[N@@H+]1CCCN[C@@H](C(C)(C)C)C1 82941759 573310226 /nfs/dbraw/zinc/31/02/26/573310226.db2.gz YJYSRXXPPYEICN-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC[C@@H]1CCC[C@@H](C)N1 238346492 573310228 /nfs/dbraw/zinc/31/02/28/573310228.db2.gz GJOAXLKXJKBIPB-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[N@H+]1CCCN[C@@H](C(C)(C)C)C1 82941759 573310229 /nfs/dbraw/zinc/31/02/29/573310229.db2.gz YJYSRXXPPYEICN-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1CCC[NH2+][C@@H](C(C)(C)C)C1 82941759 573310234 /nfs/dbraw/zinc/31/02/34/573310234.db2.gz YJYSRXXPPYEICN-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H](C[C@H]1CCC[NH2+]1)N(C)C 259607076 573310301 /nfs/dbraw/zinc/31/03/01/573310301.db2.gz QSSRYPQFHPVVKM-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H]1CCNC2(CCCC2)C[N@@H+]1C 82943155 573310328 /nfs/dbraw/zinc/31/03/28/573310328.db2.gz BHBWZDGMIZDDJC-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CCNC2(CCCC2)C[N@H+]1C 82943155 573310331 /nfs/dbraw/zinc/31/03/31/573310331.db2.gz BHBWZDGMIZDDJC-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H]1CC[NH2+]C2(CCCC2)CN1C 82943155 573310336 /nfs/dbraw/zinc/31/03/36/573310336.db2.gz BHBWZDGMIZDDJC-SNVBAGLBSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@]1(C)C[N@@H+](C)CCCN1 82942155 573311727 /nfs/dbraw/zinc/31/17/27/573311727.db2.gz HGGNZTSCJSELHG-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@@H+]1CCCN[C@H](C(C)(C)C)C1 82941757 573314101 /nfs/dbraw/zinc/31/41/01/573314101.db2.gz YJYSRXXPPYEICN-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1CCCN[C@H](C(C)(C)C)C1 82941757 573314107 /nfs/dbraw/zinc/31/41/07/573314107.db2.gz YJYSRXXPPYEICN-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1CCC[NH2+][C@H](C(C)(C)C)C1 82941757 573314112 /nfs/dbraw/zinc/31/41/12/573314112.db2.gz YJYSRXXPPYEICN-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1C 82943554 573314162 /nfs/dbraw/zinc/31/41/62/573314162.db2.gz QRLSRECASHWWGT-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@@H+]1C 82943554 573314167 /nfs/dbraw/zinc/31/41/67/573314167.db2.gz QRLSRECASHWWGT-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@@H]1CCN[C@@H](C2CC2)C[N@H+]1C 82943554 573314175 /nfs/dbraw/zinc/31/41/75/573314175.db2.gz QRLSRECASHWWGT-PSASIEDQSA-N 1 3 168.284 1.079 10 0 ADAEHO CCC1(CC)C[N@H+](C)[C@H](C)CCN1 82943668 573314234 /nfs/dbraw/zinc/31/42/34/573314234.db2.gz CQKUBQOKJDUFFU-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC1(CC)C[N@@H+](C)[C@H](C)CCN1 82943668 573314239 /nfs/dbraw/zinc/31/42/39/573314239.db2.gz CQKUBQOKJDUFFU-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC1(CC)CN(C)[C@H](C)CC[NH2+]1 82943668 573314244 /nfs/dbraw/zinc/31/42/44/573314244.db2.gz CQKUBQOKJDUFFU-SNVBAGLBSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)C1CC1 132528813 573314295 /nfs/dbraw/zinc/31/42/95/573314295.db2.gz WGXQHMPHBRCEMD-WDEREUQCSA-N 1 3 196.338 1.622 10 0 ADAEHO [NH3+]CCCc1c[nH]c2ccncc12 74308593 573314440 /nfs/dbraw/zinc/31/44/40/573314440.db2.gz MFSJZCIEMIGVFN-UHFFFAOYSA-N 1 3 175.235 1.454 10 0 ADAEHO C[N@@H+]1CCCN[C@@](C)(C2CC2)C1 82941729 573314444 /nfs/dbraw/zinc/31/44/44/573314444.db2.gz KOUHPQHCWSLGCO-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO C[N@H+]1CCCN[C@@](C)(C2CC2)C1 82941729 573314447 /nfs/dbraw/zinc/31/44/47/573314447.db2.gz KOUHPQHCWSLGCO-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[N@@H+]1CCCN[C@@](C)(C2CC2)C1 82941686 573314487 /nfs/dbraw/zinc/31/44/87/573314487.db2.gz VGMCUHHBPFHILL-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCCN[C@@](C)(C2CC2)C1 82941686 573314492 /nfs/dbraw/zinc/31/44/92/573314492.db2.gz VGMCUHHBPFHILL-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[NH2+][C@@](C)(C2CC2)C1 82941686 573314496 /nfs/dbraw/zinc/31/44/96/573314496.db2.gz VGMCUHHBPFHILL-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@]1(C)C[N@H+](C)CCCN1 82942155 573311723 /nfs/dbraw/zinc/31/17/23/573311723.db2.gz HGGNZTSCJSELHG-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCC[C@@H]1C[N@@H+](C(C)C)CCCN1 82953747 573323599 /nfs/dbraw/zinc/32/35/99/573323599.db2.gz SDJXBRQEKWMDCM-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1C[N@H+](C(C)C)CCCN1 82953747 573323605 /nfs/dbraw/zinc/32/36/05/573323605.db2.gz SDJXBRQEKWMDCM-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@@H]1CN(C(C)C)CCC[NH2+]1 82953747 573323612 /nfs/dbraw/zinc/32/36/12/573323612.db2.gz SDJXBRQEKWMDCM-LLVKDONJSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H](N)C(C)(C)[NH+](C)C 74342083 573328010 /nfs/dbraw/zinc/32/80/10/573328010.db2.gz FDHVLYUYZHWNQU-QMMMGPOBSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@H](CN)[C@H](CC(C)C)[NH+](C)C 259418843 573328403 /nfs/dbraw/zinc/32/84/03/573328403.db2.gz HXIBUCRKFLHPQD-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](CC(C)C)N(C)C 259418843 573328407 /nfs/dbraw/zinc/32/84/07/573328407.db2.gz HXIBUCRKFLHPQD-MNOVXSKESA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)([NH3+])CNC1C(C)(C)C1(C)C 86241276 573328469 /nfs/dbraw/zinc/32/84/69/573328469.db2.gz FKGWZAHAPGHDKB-UHFFFAOYSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@@H](CN)C[NH2+]CCC1=CCCC1 308349069 573331150 /nfs/dbraw/zinc/33/11/50/573331150.db2.gz XKZKWOWEKHDTAH-JTQLQIEISA-N 1 3 182.311 1.671 10 0 ADAEHO C[C@@H]1CC[NH2+]C2(CCCCC2)CN1 82961007 573337559 /nfs/dbraw/zinc/33/75/59/573337559.db2.gz DYMQPCYMVAQVFG-SNVBAGLBSA-N 1 3 182.311 1.661 10 0 ADAEHO C[C@@H]1CCNC2(CCCCC2)C[NH2+]1 82961007 573337565 /nfs/dbraw/zinc/33/75/65/573337565.db2.gz DYMQPCYMVAQVFG-SNVBAGLBSA-N 1 3 182.311 1.661 10 0 ADAEHO CCC1(CC)CN[C@@H](C)CC[NH2+]1 82961054 573337651 /nfs/dbraw/zinc/33/76/51/573337651.db2.gz LMTOUZOKHWTFSR-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO CCC1(CC)C[NH2+][C@@H](C)CCN1 82961054 573337656 /nfs/dbraw/zinc/33/76/56/573337656.db2.gz LMTOUZOKHWTFSR-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO C1CCC2(CC1)CNCCC[NH2+]2 82960974 573338792 /nfs/dbraw/zinc/33/87/92/573338792.db2.gz PMHCRWUAIYDFFN-UHFFFAOYSA-N 1 3 168.284 1.272 10 0 ADAEHO C1CCC2(CC1)C[NH2+]CCCN2 82960974 573338796 /nfs/dbraw/zinc/33/87/96/573338796.db2.gz PMHCRWUAIYDFFN-UHFFFAOYSA-N 1 3 168.284 1.272 10 0 ADAEHO C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)CN1 82961031 573338882 /nfs/dbraw/zinc/33/88/82/573338882.db2.gz FHKNDPAJKRDDJF-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO C[C@@H]1CCN[C@@H](C(C)(C)C)C[NH2+]1 82961031 573338888 /nfs/dbraw/zinc/33/88/88/573338888.db2.gz FHKNDPAJKRDDJF-RKDXNWHRSA-N 1 3 170.300 1.373 10 0 ADAEHO C1CCC([C@@H]2C[NH2+]CCCN2)CC1 82960982 573338984 /nfs/dbraw/zinc/33/89/84/573338984.db2.gz GQNMZTZZDOUIMP-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO CCCC1([NH3+])CCN(CC)CC1 37717060 573339019 /nfs/dbraw/zinc/33/90/19/573339019.db2.gz VCFFRMFOZUICHJ-UHFFFAOYSA-N 1 3 170.300 1.600 10 0 ADAEHO CC[C@H](CNC)[C@H](CC(C)C)[NH2+]C 259086991 573339087 /nfs/dbraw/zinc/33/90/87/573339087.db2.gz CZYRVXRHTYXOHG-MNOVXSKESA-N 1 3 186.343 1.866 10 0 ADAEHO CCCN1CCC([NH3+])(C(C)C)CC1 37717089 573339236 /nfs/dbraw/zinc/33/92/36/573339236.db2.gz OPAHOCCUGZFDEC-UHFFFAOYSA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)N1CC[C@H]([C@]2(C)CCC[NH2+]2)C1 258306111 573341832 /nfs/dbraw/zinc/34/18/32/573341832.db2.gz VCDSSRSLUNGXSM-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@H]([C@H]2CCCN2C)C[NH2+]1 258290248 573341997 /nfs/dbraw/zinc/34/19/97/573341997.db2.gz TXEZCYQNAHXOJN-KXUCPTDWSA-N 1 3 168.284 1.079 10 0 ADAEHO CC(C)N1CC[C@@H]([C@@]2(C)CCC[NH2+]2)C1 258306113 573343564 /nfs/dbraw/zinc/34/35/64/573343564.db2.gz VCDSSRSLUNGXSM-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO NCCC[NH2+]CC1CCCC1 50271924 573343606 /nfs/dbraw/zinc/34/36/06/573343606.db2.gz KSJXRAKQFJJJJJ-UHFFFAOYSA-N 1 3 156.273 1.115 10 0 ADAEHO CC[C@H](CCN)[NH2+]C1CCCC1 129577388 573343762 /nfs/dbraw/zinc/34/37/62/573343762.db2.gz BFDHSRIIRIFQKT-SECBINFHSA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H]1C[C@H]([C@@H]2CCCN2C)C[NH2+]1 258290256 573343830 /nfs/dbraw/zinc/34/38/30/573343830.db2.gz TXEZCYQNAHXOJN-UTLUCORTSA-N 1 3 168.284 1.079 10 0 ADAEHO C[NH2+]C[C@@H](CN)C1CCCCC1 258291377 573344660 /nfs/dbraw/zinc/34/46/60/573344660.db2.gz NRYDPRLEPLKTBY-SNVBAGLBSA-N 1 3 170.300 1.361 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](NC)c1ccccc1 259092018 573344736 /nfs/dbraw/zinc/34/47/36/573344736.db2.gz DLVNYNQLTRYCAT-CMPLNLGQSA-N 1 3 192.306 1.932 10 0 ADAEHO CC(C)[N@@H+]1CCC=C([C@H](C)N)C1 258288445 573344850 /nfs/dbraw/zinc/34/48/50/573344850.db2.gz ZYOHDTLLYYQYAX-VIFPVBQESA-N 1 3 168.284 1.374 10 0 ADAEHO CC(C)[N@H+]1CCC=C([C@H](C)N)C1 258288445 573344854 /nfs/dbraw/zinc/34/48/54/573344854.db2.gz ZYOHDTLLYYQYAX-VIFPVBQESA-N 1 3 168.284 1.374 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)C1CCCC1 86272569 573345955 /nfs/dbraw/zinc/34/59/55/573345955.db2.gz XTOYXUCNYRHXHL-GHMZBOCLSA-N 1 3 196.338 1.859 10 0 ADAEHO Cc1cc([C@H](N)[C@H](C)C[NH3+])ccc1F 259092221 573345980 /nfs/dbraw/zinc/34/59/80/573345980.db2.gz ALCSCZNITGAKDO-LDYMZIIASA-N 1 3 196.269 1.729 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN1CCCC1 86272446 573346115 /nfs/dbraw/zinc/34/61/15/573346115.db2.gz SIVGTFIWFOZXFB-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)[NH2+]CC[C@H](N)C(C)(C)C 129597765 573346137 /nfs/dbraw/zinc/34/61/37/573346137.db2.gz ZCOXPYIKOUELGK-VIFPVBQESA-N 1 3 172.316 1.748 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](NC)c1ccccc1 259092029 573346239 /nfs/dbraw/zinc/34/62/39/573346239.db2.gz DLVNYNQLTRYCAT-ZYHUDNBSSA-N 1 3 192.306 1.932 10 0 ADAEHO CC1CCN(C[C@H]2CC[NH2+][C@H]2C)CC1 86272445 573346243 /nfs/dbraw/zinc/34/62/43/573346243.db2.gz JXZHGKMTLCNPKF-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)C[C@H](C[NH3+])NC1CC1 50271228 573346249 /nfs/dbraw/zinc/34/62/49/573346249.db2.gz GZTZMNNFWFKNFW-SECBINFHSA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)N(C)C[C@H]1CC[NH2+][C@@H]1C 86272501 573346297 /nfs/dbraw/zinc/34/62/97/573346297.db2.gz VZTXTRATDUVNKQ-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN1CCCC1 86272448 573346335 /nfs/dbraw/zinc/34/63/35/573346335.db2.gz SIVGTFIWFOZXFB-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CNC1CCC1 86273058 573347002 /nfs/dbraw/zinc/34/70/02/573347002.db2.gz PHVGAMZOYADROU-IUCAKERBSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN[C@@H]1CC1(C)C 86273008 573347030 /nfs/dbraw/zinc/34/70/30/573347030.db2.gz YYFSNTUGQBEBBQ-LPEHRKFASA-N 1 3 182.311 1.373 10 0 ADAEHO CC(C)(C)[C@@H](N)CC[NH2+]CC1CC1 129601861 573350496 /nfs/dbraw/zinc/35/04/96/573350496.db2.gz SIKZDZYFRVXFPE-JTQLQIEISA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CNC1CCC1 86273057 573350530 /nfs/dbraw/zinc/35/05/30/573350530.db2.gz PHVGAMZOYADROU-BDAKNGLRSA-N 1 3 168.284 1.127 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CCCC1 86272447 573350555 /nfs/dbraw/zinc/35/05/55/573350555.db2.gz SIVGTFIWFOZXFB-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN1CCCCC1 86272518 573350577 /nfs/dbraw/zinc/35/05/77/573350577.db2.gz RQSVJKCROAEWLM-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[NH2+]CC[C@@H](N)C(C)(C)C 129597122 573350744 /nfs/dbraw/zinc/35/07/44/573350744.db2.gz WYNMYDBQAZSVPT-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO C[C@]1([NH3+])CCN2CCCC[C@@H]2C1 258635284 573352023 /nfs/dbraw/zinc/35/20/23/573352023.db2.gz YFTAKYKZOOFODC-ZJUUUORDSA-N 1 3 168.284 1.352 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](C(C)(C)C)[C@@H]1C 86302875 573352119 /nfs/dbraw/zinc/35/21/19/573352119.db2.gz GFQQCCUBTRKKRL-AEJSXWLSSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](C(C)(C)C)[C@@H]1C 86302875 573352123 /nfs/dbraw/zinc/35/21/23/573352123.db2.gz GFQQCCUBTRKKRL-AEJSXWLSSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H](CC(F)F)[NH2+]CC1(CN)CC1 308361469 573352170 /nfs/dbraw/zinc/35/21/70/573352170.db2.gz DPXFOTNYJIHONV-ZETCQYMHSA-N 1 3 192.253 1.359 10 0 ADAEHO C[C@@H](CC(F)F)NCC1(C[NH3+])CC1 308361469 573352175 /nfs/dbraw/zinc/35/21/75/573352175.db2.gz DPXFOTNYJIHONV-ZETCQYMHSA-N 1 3 192.253 1.359 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86302959 573352184 /nfs/dbraw/zinc/35/21/84/573352184.db2.gz VRCIKRSZLIFJRZ-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86302959 573352187 /nfs/dbraw/zinc/35/21/87/573352187.db2.gz VRCIKRSZLIFJRZ-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86302959 573352194 /nfs/dbraw/zinc/35/21/94/573352194.db2.gz VRCIKRSZLIFJRZ-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1ccc(C)c([C@H](N)[C@@H](C)C[NH3+])c1 259425470 573353498 /nfs/dbraw/zinc/35/34/98/573353498.db2.gz PFBSCKMZJKEDNH-CMPLNLGQSA-N 1 3 192.306 1.898 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86303221 573353504 /nfs/dbraw/zinc/35/35/04/573353504.db2.gz JCNINDIQVQFLHF-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86303221 573353508 /nfs/dbraw/zinc/35/35/08/573353508.db2.gz JCNINDIQVQFLHF-DCAQKATOSA-N 1 3 184.327 1.700 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86303277 573353582 /nfs/dbraw/zinc/35/35/82/573353582.db2.gz DCZINPKNEUIQKD-VWYCJHECSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86303224 573353781 /nfs/dbraw/zinc/35/37/81/573353781.db2.gz JCNINDIQVQFLHF-AXFHLTTASA-N 1 3 184.327 1.700 10 0 ADAEHO CCC[C@@H]([NH2+]C)[C@H]1CCCNC1 231558118 573354123 /nfs/dbraw/zinc/35/41/23/573354123.db2.gz RRJSZAUARFQPAJ-VHSXEESVSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1C1CC1 86303191 573354150 /nfs/dbraw/zinc/35/41/50/573354150.db2.gz VMPFADNXQSRGED-NRPADANISA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@H+](CC2CCC2)[C@@H]1C 86303514 573354167 /nfs/dbraw/zinc/35/41/67/573354167.db2.gz DYWZXMRBYIZJLY-UMNHJUIQSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1[C@@H](N)CC[N@@H+](CC2CCC2)[C@@H]1C 86303514 573354173 /nfs/dbraw/zinc/35/41/73/573354173.db2.gz DYWZXMRBYIZJLY-UMNHJUIQSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 86303224 573353777 /nfs/dbraw/zinc/35/37/77/573353777.db2.gz JCNINDIQVQFLHF-AXFHLTTASA-N 1 3 184.327 1.700 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86302939 573357095 /nfs/dbraw/zinc/35/70/95/573357095.db2.gz GQUINWVHTBVPRL-GUBZILKMSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 86302939 573357099 /nfs/dbraw/zinc/35/70/99/573357099.db2.gz GQUINWVHTBVPRL-GUBZILKMSA-N 1 3 170.300 1.452 10 0 ADAEHO CC(C)N1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 86302939 573357105 /nfs/dbraw/zinc/35/71/05/573357105.db2.gz GQUINWVHTBVPRL-GUBZILKMSA-N 1 3 170.300 1.452 10 0 ADAEHO CC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303170 573357121 /nfs/dbraw/zinc/35/71/21/573357121.db2.gz PMLJEEMQRMRBCO-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303170 573357126 /nfs/dbraw/zinc/35/71/26/573357126.db2.gz PMLJEEMQRMRBCO-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303170 573357130 /nfs/dbraw/zinc/35/71/30/573357130.db2.gz PMLJEEMQRMRBCO-VGMNWLOBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC[C@@H](C[NH3+])NCCC(C)(F)F 393627275 573358821 /nfs/dbraw/zinc/35/88/21/573358821.db2.gz YHQFTELTSBWXDM-ZETCQYMHSA-N 1 3 180.242 1.359 10 0 ADAEHO CC(C)(C)C[C@@H]1C[C@H](N)CC[NH2+]1 107122995 573359046 /nfs/dbraw/zinc/35/90/46/573359046.db2.gz IPBPEUQXQGXTMM-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)C[C@@H]1C[C@H]([NH3+])CCN1 107122995 573359048 /nfs/dbraw/zinc/35/90/48/573359048.db2.gz IPBPEUQXQGXTMM-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]1[C@@H](N)CC[N@H+]([C@H]2C[C@H]2C)[C@H]1C 86304687 573359180 /nfs/dbraw/zinc/35/91/80/573359180.db2.gz LMKVHSGKDDEVTR-UVOCVTCTSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@H]1[C@@H]([NH3+])CCN([C@H]2C[C@H]2C)[C@H]1C 86304687 573359186 /nfs/dbraw/zinc/35/91/86/573359186.db2.gz LMKVHSGKDDEVTR-UVOCVTCTSA-N 1 3 182.311 1.452 10 0 ADAEHO C[C@@H]([C@H](C)CN)[NH+]1CCCC1 86311045 573359229 /nfs/dbraw/zinc/35/92/29/573359229.db2.gz SXTBWKRYTBJMGA-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]CCCOC2CC2)C1 717374173 573359367 /nfs/dbraw/zinc/35/93/67/573359367.db2.gz ZJYUQVBZLZIQHT-VHSXEESVSA-N 1 3 198.310 1.025 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]CCCOC2CC2)C1 717374170 573359423 /nfs/dbraw/zinc/35/94/23/573359423.db2.gz ZJYUQVBZLZIQHT-UWVGGRQHSA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]([C@H](C)C[NH3+])N1CCSCC1 86311413 573359541 /nfs/dbraw/zinc/35/95/41/573359541.db2.gz JYEOGJZLWFCWMW-BDAKNGLRSA-N 1 3 188.340 1.019 10 0 ADAEHO CC(C)[N@H+](C)[C@H](C)[C@@H](C)CN 86311263 573359565 /nfs/dbraw/zinc/35/95/65/573359565.db2.gz IRKMLDNPDUGBJS-DTWKUNHWSA-N 1 3 158.289 1.310 10 0 ADAEHO CC(C)[N@@H+](C)[C@H](C)[C@@H](C)CN 86311263 573359573 /nfs/dbraw/zinc/35/95/73/573359573.db2.gz IRKMLDNPDUGBJS-DTWKUNHWSA-N 1 3 158.289 1.310 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+]1CCCC1(C)C 86312518 573359630 /nfs/dbraw/zinc/35/96/30/573359630.db2.gz QGVSSLUVEFGWIY-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+]1CCCC1(C)C 86312518 573359635 /nfs/dbraw/zinc/35/96/35/573359635.db2.gz QGVSSLUVEFGWIY-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[NH2+][C@@H](C)CCNCCC(F)F 308365286 573359682 /nfs/dbraw/zinc/35/96/82/573359682.db2.gz HDHXDYUUTXTOLG-QMMMGPOBSA-N 1 3 194.269 1.619 10 0 ADAEHO CC1(C)C[C@@H](CN2CCCCC2)C[NH2+]1 258314370 573364012 /nfs/dbraw/zinc/36/40/12/573364012.db2.gz VQRUKFUJYYWDFZ-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO [NH3+]C[C@H](Nc1ccncc1)C1CCC1 717624000 573364079 /nfs/dbraw/zinc/36/40/79/573364079.db2.gz AAEDDGPILXCZBB-NSHDSACASA-N 1 3 191.278 1.043 10 0 ADAEHO CCN1CC[C@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258314695 573364160 /nfs/dbraw/zinc/36/41/60/573364160.db2.gz DAOPXVNTHRFPNV-UWVGGRQHSA-N 1 3 198.310 1.053 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1CNCCC(F)F 308368777 573365488 /nfs/dbraw/zinc/36/54/88/573365488.db2.gz JITORZGRNNGNFW-SFYZADRCSA-N 1 3 192.253 1.359 10 0 ADAEHO C1CNC[C@@]2(C1)CC[N@@H+](CC1CC1)C2 211343811 573365754 /nfs/dbraw/zinc/36/57/54/573365754.db2.gz DLBQCDMNJZBHCK-GFCCVEGCSA-N 1 3 194.322 1.472 10 0 ADAEHO C1CNC[C@@]2(C1)CC[N@H+](CC1CC1)C2 211343811 573365759 /nfs/dbraw/zinc/36/57/59/573365759.db2.gz DLBQCDMNJZBHCK-GFCCVEGCSA-N 1 3 194.322 1.472 10 0 ADAEHO CCN1CC[C@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258314697 573365795 /nfs/dbraw/zinc/36/57/95/573365795.db2.gz DAOPXVNTHRFPNV-VHSXEESVSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@@H](N)C1(C[NH2+]C)CC1 259431384 573373184 /nfs/dbraw/zinc/37/31/84/573373184.db2.gz NEPHGFQMXBXVOS-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@@H]([NH3+])C1(CNC)CC1 259431384 573373190 /nfs/dbraw/zinc/37/31/90/573373190.db2.gz NEPHGFQMXBXVOS-MRVPVSSYSA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@H](C[NH3+])CNCc1ccncc1 258638968 573373454 /nfs/dbraw/zinc/37/34/54/573373454.db2.gz LNQRXEKTFPBVIL-SNVBAGLBSA-N 1 3 193.294 1.156 10 0 ADAEHO CC[C@@H](C[NH3+])CNCc1ccncc1 258638966 573374131 /nfs/dbraw/zinc/37/41/31/573374131.db2.gz LNQRXEKTFPBVIL-JTQLQIEISA-N 1 3 193.294 1.156 10 0 ADAEHO C[C@@H](N)C[C@@H](C1CCC1)[NH+](C)C 259430891 573374177 /nfs/dbraw/zinc/37/41/77/573374177.db2.gz IJZSCGPAEXEORL-SCZZXKLOSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C1CCC1)N(C)C 259430891 573374182 /nfs/dbraw/zinc/37/41/82/573374182.db2.gz IJZSCGPAEXEORL-SCZZXKLOSA-N 1 3 170.300 1.454 10 0 ADAEHO CCC[C@H](N)C1(C[NH2+]C)CC1 259431387 573374280 /nfs/dbraw/zinc/37/42/80/573374280.db2.gz NEPHGFQMXBXVOS-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC[C@H]([NH3+])C1(CNC)CC1 259431387 573374284 /nfs/dbraw/zinc/37/42/84/573374284.db2.gz NEPHGFQMXBXVOS-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO C[C@@H]1CC[C@H]([NH+]2CCC(N)CC2)[C@@H]1C 83044902 573374375 /nfs/dbraw/zinc/37/43/75/573374375.db2.gz AXEDHPAMWPKYSJ-FOGDFJRCSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)N(C)C[C@H]1C[NH2+]CC1(C)C 642831394 573374539 /nfs/dbraw/zinc/37/45/39/573374539.db2.gz ICYRVCWDZIIHPD-SNVBAGLBSA-N 1 3 184.327 1.572 10 0 ADAEHO C1CC[C@@H](CCN2C[C@H]3C[C@H]3C2)[NH2+]C1 107137870 573374880 /nfs/dbraw/zinc/37/48/80/573374880.db2.gz GTWPURZNEFLFDE-TUAOUCFPSA-N 1 3 194.322 1.470 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CN)C2)[C@@H]1C 83044966 573374967 /nfs/dbraw/zinc/37/49/67/573374967.db2.gz LGKCSUUWBUYRDU-KKOKHZNYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](CN)C2)[C@@H]1C 83044966 573374971 /nfs/dbraw/zinc/37/49/71/573374971.db2.gz LGKCSUUWBUYRDU-KKOKHZNYSA-N 1 3 196.338 1.702 10 0 ADAEHO CNC[C@H](C)C[NH2+]C[C@@H](C)C1CC1 133176074 573382844 /nfs/dbraw/zinc/38/28/44/573382844.db2.gz OPVMRDBIAATNDQ-VHSXEESVSA-N 1 3 184.327 1.478 10 0 ADAEHO C[C@@H](C[NH2+]C[C@@H]1CCCN1)C1CC1 133196382 573382906 /nfs/dbraw/zinc/38/29/06/573382906.db2.gz AIDDUVUAAWBWMS-ONGXEEELSA-N 1 3 182.311 1.374 10 0 ADAEHO C[NH2+][C@H](C)CNC[C@@H](C)C1CC1 133185226 573382927 /nfs/dbraw/zinc/38/29/27/573382927.db2.gz JUBUMNWBEWIKNQ-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO CCC[C@H]1[C@@H](CN)CC[N@@H+]1C 107158764 573385519 /nfs/dbraw/zinc/38/55/19/573385519.db2.gz FPHGITMNRFPYPS-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC[C@H]1[C@@H](CN)CC[N@H+]1C 107158764 573385526 /nfs/dbraw/zinc/38/55/26/573385526.db2.gz FPHGITMNRFPYPS-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CNC[C@H](C)C[NH2+]C[C@H](C)C1CC1 133176535 573385641 /nfs/dbraw/zinc/38/56/41/573385641.db2.gz OPVMRDBIAATNDQ-UWVGGRQHSA-N 1 3 184.327 1.478 10 0 ADAEHO C[NH2+][C@@H](C(C)C)[C@H](CN)C(C)C 259432764 573385671 /nfs/dbraw/zinc/38/56/71/573385671.db2.gz ZEQIXAOMKQFEFH-ZJUUUORDSA-N 1 3 172.316 1.461 10 0 ADAEHO C[C@H](CNC[C@]1(C)CCC[NH2+]1)C1CC1 133203596 573385757 /nfs/dbraw/zinc/38/57/57/573385757.db2.gz YSCBUCLKMUFHDI-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H](CN)C[NH2+]C[C@H](C)C1CC1 133258774 573393573 /nfs/dbraw/zinc/39/35/73/573393573.db2.gz YHSGQBCZEUDOFT-VHSXEESVSA-N 1 3 184.327 1.607 10 0 ADAEHO C[C@H](C[NH2+]CC[C@H](N)C1CC1)C1CC1 133248342 573393684 /nfs/dbraw/zinc/39/36/84/573393684.db2.gz FEGTXKDOMHUECO-SKDRFNHKSA-N 1 3 196.338 1.750 10 0 ADAEHO CC(C)C[C@@H](N)C[C@@H]1CCC[NH2+]1 259438178 573393704 /nfs/dbraw/zinc/39/37/04/573393704.db2.gz PWFXJVQGXLBALW-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](C[NH2+]CCC1(N)CCC1)C1CC1 133244247 573393792 /nfs/dbraw/zinc/39/37/92/573393792.db2.gz ZJHSDRJJUVXUAX-JTQLQIEISA-N 1 3 196.338 1.894 10 0 ADAEHO CCC[C@H]([NH3+])CN1C[C@H]2CCC[C@H]2C1 126176354 573393823 /nfs/dbraw/zinc/39/38/23/573393823.db2.gz BDOWCVRKOXKDSG-TUAOUCFPSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](C[NH2+]CC1(CN)CC1)C1CC1 133223763 573393832 /nfs/dbraw/zinc/39/38/32/573393832.db2.gz SAOVRKGNZNIQNL-VIFPVBQESA-N 1 3 182.311 1.361 10 0 ADAEHO Cc1ccc([C@H](N)[C@@H](C)C[NH3+])cc1C 259094326 573393834 /nfs/dbraw/zinc/39/38/34/573393834.db2.gz APGGPEDMLSLQCQ-CMPLNLGQSA-N 1 3 192.306 1.898 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2C)CCCN1 83093124 573395255 /nfs/dbraw/zinc/39/52/55/573395255.db2.gz OIDFWMVJWUVDBM-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCCN1 83093124 573395261 /nfs/dbraw/zinc/39/52/61/573395261.db2.gz OIDFWMVJWUVDBM-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[N@@H+]1CC[C@H](CN)[C@@]1(C)C1CC1 107162294 573395293 /nfs/dbraw/zinc/39/52/93/573395293.db2.gz IKEDQDFUXWCCOR-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CC[C@H](CN)[C@@]1(C)C1CC1 107162294 573395298 /nfs/dbraw/zinc/39/52/98/573395298.db2.gz IKEDQDFUXWCCOR-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H](C)[C@@H]1C[N@@H+](C2CC2)CCCN1 83091503 573395317 /nfs/dbraw/zinc/39/53/17/573395317.db2.gz PCZHJIMGYFVMSF-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](C)[C@@H]1C[N@H+](C2CC2)CCCN1 83091503 573395320 /nfs/dbraw/zinc/39/53/20/573395320.db2.gz PCZHJIMGYFVMSF-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC1(C)C[N@@H+](C2CC2)CCCCN1 259438260 573395434 /nfs/dbraw/zinc/39/54/34/573395434.db2.gz OKTWDDAXJOWDEC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)C[N@H+](C2CC2)CCCCN1 259438260 573395443 /nfs/dbraw/zinc/39/54/43/573395443.db2.gz OKTWDDAXJOWDEC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO CC1(C)CN(C2CC2)CCCC[NH2+]1 259438260 573395448 /nfs/dbraw/zinc/39/54/48/573395448.db2.gz OKTWDDAXJOWDEC-UHFFFAOYSA-N 1 3 182.311 1.613 10 0 ADAEHO C1CN[C@H](C2CC2)C[N@@H+](C2CC2)C1 83091535 573395505 /nfs/dbraw/zinc/39/55/05/573395505.db2.gz RWPOQCSQEZECQF-NSHDSACASA-N 1 3 180.295 1.223 10 0 ADAEHO C1CN[C@H](C2CC2)C[N@H+](C2CC2)C1 83091535 573395510 /nfs/dbraw/zinc/39/55/10/573395510.db2.gz RWPOQCSQEZECQF-NSHDSACASA-N 1 3 180.295 1.223 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C2CCC2)CCCN1 83093067 573395584 /nfs/dbraw/zinc/39/55/84/573395584.db2.gz PZDPLPPDHKTAOF-GFCCVEGCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C2CCC2)CCCN1 83093067 573395587 /nfs/dbraw/zinc/39/55/87/573395587.db2.gz PZDPLPPDHKTAOF-GFCCVEGCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[C@H]1CN(C2CCC2)CCC[NH2+]1 83093067 573395592 /nfs/dbraw/zinc/39/55/92/573395592.db2.gz PZDPLPPDHKTAOF-GFCCVEGCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H](CNC)[C@H]([NH2+]C)C(C)C 259438364 573395869 /nfs/dbraw/zinc/39/58/69/573395869.db2.gz ZQOFXESGHXREPV-NXEZZACHSA-N 1 3 172.316 1.476 10 0 ADAEHO CC(C)C[C@H]1C[N@@H+](C2CC2)CCCN1 83091510 573395942 /nfs/dbraw/zinc/39/59/42/573395942.db2.gz CKVXKGUVPXSBBB-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@H]1C[N@H+](C2CC2)CCCN1 83091510 573395946 /nfs/dbraw/zinc/39/59/46/573395946.db2.gz CKVXKGUVPXSBBB-NSHDSACASA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@H]1CN([C@@H](C)C2CC2)CCC[NH2+]1 83092032 573396024 /nfs/dbraw/zinc/39/60/24/573396024.db2.gz BKSGZKGAMCHBAB-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@H](N)C[C@@H]1CCC[NH2+]1 259438175 573396262 /nfs/dbraw/zinc/39/62/62/573396262.db2.gz PWFXJVQGXLBALW-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](c1ccccc1)N(C)C 259440879 573401134 /nfs/dbraw/zinc/40/11/34/573401134.db2.gz IVDJUYSSDBUCRM-CMPLNLGQSA-N 1 3 192.306 1.884 10 0 ADAEHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN(C)C 308572682 573401210 /nfs/dbraw/zinc/40/12/10/573401210.db2.gz CNPGADDAQMZRLZ-UTUOFQBUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](C[NH2+]Cc1ccc[nH]1)CN(C)C 308572249 573401258 /nfs/dbraw/zinc/40/12/58/573401258.db2.gz KWIJSTWLKGAFKS-SNVBAGLBSA-N 1 3 195.310 1.302 10 0 ADAEHO CC(C)N1CCC(C)(C)[C@@H]([NH3+])C1 259096937 573402784 /nfs/dbraw/zinc/40/27/84/573402784.db2.gz AARMWVUUMLORQF-VIFPVBQESA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@@H](CC)N(C)C 259095898 573402803 /nfs/dbraw/zinc/40/28/03/573402803.db2.gz GSGCOJWLBSISGK-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@@H](CNC)[C@@H](CC)[NH+](C)C 259095898 573402805 /nfs/dbraw/zinc/40/28/05/573402805.db2.gz GSGCOJWLBSISGK-VHSXEESVSA-N 1 3 172.316 1.572 10 0 ADAEHO CO[C@@H]1c2ccccc2[C@@H](N)C[C@@H]1[NH3+] 238388071 573402838 /nfs/dbraw/zinc/40/28/38/573402838.db2.gz RCHWGONLISEURV-GARJFASQSA-N 1 3 192.262 1.105 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](CC)N(C)C 259095896 573402941 /nfs/dbraw/zinc/40/29/41/573402941.db2.gz GSGCOJWLBSISGK-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@@H](CNC)[C@H](CC)[NH+](C)C 259095896 573402949 /nfs/dbraw/zinc/40/29/49/573402949.db2.gz GSGCOJWLBSISGK-UWVGGRQHSA-N 1 3 172.316 1.572 10 0 ADAEHO CCC[C@@H]([NH3+])CN1C[C@H]2CCC[C@H]2C1 126176609 573402960 /nfs/dbraw/zinc/40/29/60/573402960.db2.gz BDOWCVRKOXKDSG-GRYCIOLGSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H](N[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCO1 86398088 573403513 /nfs/dbraw/zinc/40/35/13/573403513.db2.gz FWXNJOOUODOVGI-MMWGEVLESA-N 1 3 198.310 1.023 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]C2CCCCC2)C1 86396874 573403577 /nfs/dbraw/zinc/40/35/77/573403577.db2.gz PUQFPCDVBYJNAE-KOLCDFICSA-N 1 3 182.311 1.789 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H](c1ccccc1)N(C)C 259440880 573403615 /nfs/dbraw/zinc/40/36/15/573403615.db2.gz IVDJUYSSDBUCRM-JQWIXIFHSA-N 1 3 192.306 1.884 10 0 ADAEHO C[C@H](c1ccc(C[NH3+])n1C)N(C)C 257810455 573404048 /nfs/dbraw/zinc/40/40/48/573404048.db2.gz AKHFJMRLSBZDCN-MRVPVSSYSA-N 1 3 181.283 1.106 10 0 ADAEHO Cc1ccc([C@@H](CN)C[NH2+]C2CC2)o1 258340216 573404049 /nfs/dbraw/zinc/40/40/49/573404049.db2.gz ZDJLWHKGTLATMM-VIFPVBQESA-N 1 3 194.278 1.382 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]C2CCCCC2)C1 86396869 573404055 /nfs/dbraw/zinc/40/40/55/573404055.db2.gz PUQFPCDVBYJNAE-GXSJLCMTSA-N 1 3 182.311 1.789 10 0 ADAEHO Cc1ccc([C@@H](C[NH3+])CNC2CC2)o1 258340216 573404056 /nfs/dbraw/zinc/40/40/56/573404056.db2.gz ZDJLWHKGTLATMM-VIFPVBQESA-N 1 3 194.278 1.382 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]C2CCCC2)C1 86396915 573404060 /nfs/dbraw/zinc/40/40/60/573404060.db2.gz NOSNUILAOSDGJV-WPRPVWTQSA-N 1 3 168.284 1.398 10 0 ADAEHO CN(C)C[C@H](C[NH3+])C1CCCC1 258343357 573404117 /nfs/dbraw/zinc/40/41/17/573404117.db2.gz QPBVSTDHTRVYEX-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CC(C)(C)C[NH2+][C@H]1CC[C@H](N)C1 86399576 573404231 /nfs/dbraw/zinc/40/42/31/573404231.db2.gz KFPCTNZGCNSQHV-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](c1ccccc1)N(C)C 259440882 573404308 /nfs/dbraw/zinc/40/43/08/573404308.db2.gz IVDJUYSSDBUCRM-PWSUYJOCSA-N 1 3 192.306 1.884 10 0 ADAEHO Cc1ccc([C@H](CN)C[NH2+]C2CC2)o1 258340215 573404325 /nfs/dbraw/zinc/40/43/25/573404325.db2.gz ZDJLWHKGTLATMM-SECBINFHSA-N 1 3 194.278 1.382 10 0 ADAEHO Cc1ccc([C@H](C[NH3+])CNC2CC2)o1 258340215 573404330 /nfs/dbraw/zinc/40/43/30/573404330.db2.gz ZDJLWHKGTLATMM-SECBINFHSA-N 1 3 194.278 1.382 10 0 ADAEHO CC[C@H](CN)[C@@H](CC)[NH+](C)C 259440911 573404383 /nfs/dbraw/zinc/40/43/83/573404383.db2.gz IVKVZESWWGMEDG-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](CC)N(C)C 259440911 573404387 /nfs/dbraw/zinc/40/43/87/573404387.db2.gz IVKVZESWWGMEDG-RKDXNWHRSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](CN)[C@H](CC)[NH+](C)C 259440910 573404423 /nfs/dbraw/zinc/40/44/23/573404423.db2.gz IVKVZESWWGMEDG-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](CC)N(C)C 259440910 573404426 /nfs/dbraw/zinc/40/44/26/573404426.db2.gz IVKVZESWWGMEDG-IUCAKERBSA-N 1 3 158.289 1.312 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]C2CCC2)C1 86400282 573404435 /nfs/dbraw/zinc/40/44/35/573404435.db2.gz KWYFIZBMZQBJNC-CBAPKCEASA-N 1 3 154.257 1.008 10 0 ADAEHO C=COCCC[NH2+][C@H]1CC[C@H](N)C1 86398028 573404446 /nfs/dbraw/zinc/40/44/46/573404446.db2.gz VPFYAIQXFCSSHE-UWVGGRQHSA-N 1 3 184.283 1.006 10 0 ADAEHO C[C@H](N[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCO1 86398092 573404506 /nfs/dbraw/zinc/40/45/06/573404506.db2.gz FWXNJOOUODOVGI-UKKRHICBSA-N 1 3 198.310 1.023 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]CC2CCC2)C1 86398309 573404528 /nfs/dbraw/zinc/40/45/28/573404528.db2.gz GVBKYDDPIMFMND-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]C2CCCC2)C1 86396913 573404536 /nfs/dbraw/zinc/40/45/36/573404536.db2.gz NOSNUILAOSDGJV-WCBMZHEXSA-N 1 3 168.284 1.398 10 0 ADAEHO CC1(C)C[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 86400125 573404888 /nfs/dbraw/zinc/40/48/88/573404888.db2.gz KGCUYLARALMJQK-YIZRAAEISA-N 1 3 168.284 1.254 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 86400125 573404892 /nfs/dbraw/zinc/40/48/92/573404892.db2.gz KGCUYLARALMJQK-YIZRAAEISA-N 1 3 168.284 1.254 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]C2CCCCC2)C1 86396870 573404912 /nfs/dbraw/zinc/40/49/12/573404912.db2.gz PUQFPCDVBYJNAE-ONGXEEELSA-N 1 3 182.311 1.789 10 0 ADAEHO CC(C)N1CCC(C)(C)[C@H]([NH3+])C1 259096934 573405169 /nfs/dbraw/zinc/40/51/69/573405169.db2.gz AARMWVUUMLORQF-SECBINFHSA-N 1 3 170.300 1.454 10 0 ADAEHO CNC(C)(C)[C@H]([NH3+])CC(C)C 259096158 573405261 /nfs/dbraw/zinc/40/52/61/573405261.db2.gz AQTGISHYADJWSK-MRVPVSSYSA-N 1 3 158.289 1.358 10 0 ADAEHO CNC(C)(C)[C@@H]([NH3+])CC(C)C 259096160 573405283 /nfs/dbraw/zinc/40/52/83/573405283.db2.gz AQTGISHYADJWSK-QMMMGPOBSA-N 1 3 158.289 1.358 10 0 ADAEHO N[C@@H]1CC[C@H]([NH2+]C2CCC2)C1 86400286 573405295 /nfs/dbraw/zinc/40/52/95/573405295.db2.gz KWYFIZBMZQBJNC-APPZFPTMSA-N 1 3 154.257 1.008 10 0 ADAEHO CC[C@@H]([C@H](CC)C[NH2+]C)N(C)C 259095899 573405355 /nfs/dbraw/zinc/40/53/55/573405355.db2.gz GSGCOJWLBSISGK-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO CC[C@@H]([C@H](CC)CNC)[NH+](C)C 259095899 573405361 /nfs/dbraw/zinc/40/53/61/573405361.db2.gz GSGCOJWLBSISGK-ZJUUUORDSA-N 1 3 172.316 1.572 10 0 ADAEHO Cc1ccoc1CN[C@H](C)CCC[NH3+] 308575354 573405533 /nfs/dbraw/zinc/40/55/33/573405533.db2.gz MHQSXLQMVZVJQI-SNVBAGLBSA-N 1 3 196.294 1.805 10 0 ADAEHO C[C@H]([NH2+][C@H]1CC[C@H](N)C1)C1CC1 86398422 573405579 /nfs/dbraw/zinc/40/55/79/573405579.db2.gz UPUOWEQZXDZYGD-HGNGGELXSA-N 1 3 168.284 1.254 10 0 ADAEHO CC(C)CCC[NH2+][C@@H]1CC[C@H](N)C1 86399542 573405619 /nfs/dbraw/zinc/40/56/19/573405619.db2.gz HASXBGAHWQYPFN-WDEREUQCSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[NH2+][C@H]1CC[C@H](N)C1 86396906 573405629 /nfs/dbraw/zinc/40/56/29/573405629.db2.gz JWHTZNDTCAAYLM-IUCAKERBSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@H]1CC[C@H]([NH2+]CC2CCCC2)C1 86398338 573405641 /nfs/dbraw/zinc/40/56/41/573405641.db2.gz YUTRQGNBXMIYPJ-QWRGUYRKSA-N 1 3 182.311 1.646 10 0 ADAEHO Cc1ccoc1CN[C@@H](C)CCC[NH3+] 308575351 573405718 /nfs/dbraw/zinc/40/57/18/573405718.db2.gz MHQSXLQMVZVJQI-JTQLQIEISA-N 1 3 196.294 1.805 10 0 ADAEHO CCCC[NH2+][C@H]1CC[C@H](N)C1 86397125 573405798 /nfs/dbraw/zinc/40/57/98/573405798.db2.gz CPZOGGXQJSURCT-IUCAKERBSA-N 1 3 156.273 1.256 10 0 ADAEHO C[C@@H](c1ccc(C[NH3+])n1C)N(C)C 257810456 573405933 /nfs/dbraw/zinc/40/59/33/573405933.db2.gz AKHFJMRLSBZDCN-QMMMGPOBSA-N 1 3 181.283 1.106 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCCCC2)C1 86396872 573405975 /nfs/dbraw/zinc/40/59/75/573405975.db2.gz PUQFPCDVBYJNAE-MWLCHTKSSA-N 1 3 182.311 1.789 10 0 ADAEHO [NH3+][C@H]1CC[C@@H](NCc2cccs2)C1 86397875 573406121 /nfs/dbraw/zinc/40/61/21/573406121.db2.gz IILWNEVEQBPNEF-DTWKUNHWSA-N 1 3 196.319 1.718 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1 86396917 573406168 /nfs/dbraw/zinc/40/61/68/573406168.db2.gz NOSNUILAOSDGJV-PSASIEDQSA-N 1 3 168.284 1.398 10 0 ADAEHO N[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 86398304 573407813 /nfs/dbraw/zinc/40/78/13/573407813.db2.gz GVBKYDDPIMFMND-VHSXEESVSA-N 1 3 168.284 1.256 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H]([NH2+]C)C1CCC1 259097125 573407868 /nfs/dbraw/zinc/40/78/68/573407868.db2.gz DTXWMEPYIQFBSY-NWDGAFQWSA-N 1 3 198.354 1.866 10 0 ADAEHO [NH3+][C@@H]1CC[C@@H](NCc2cccs2)C1 86397880 573407890 /nfs/dbraw/zinc/40/78/90/573407890.db2.gz IILWNEVEQBPNEF-RKDXNWHRSA-N 1 3 196.319 1.718 10 0 ADAEHO C[C@@H](C[NH2+][C@@H]1C=CCCC1)CN(C)C 308577712 573410061 /nfs/dbraw/zinc/41/00/61/573410061.db2.gz NLFQGRIFROHVCZ-NWDGAFQWSA-N 1 3 196.338 1.882 10 0 ADAEHO C[C@@H](CN[C@@H]1C=CCCC1)C[NH+](C)C 308577712 573410064 /nfs/dbraw/zinc/41/00/64/573410064.db2.gz NLFQGRIFROHVCZ-NWDGAFQWSA-N 1 3 196.338 1.882 10 0 ADAEHO CC[C@@H](C)[NH2+]C(C)(C)CCN 259101217 573412033 /nfs/dbraw/zinc/41/20/33/573412033.db2.gz ZUXGREKOJIKSCP-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO CCCC[N@H+](C)C(C)(C)CCN 259098395 573412203 /nfs/dbraw/zinc/41/22/03/573412203.db2.gz ZOLXSQOPFAYPKX-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCC[N@@H+](C)C(C)(C)CCN 259098395 573412210 /nfs/dbraw/zinc/41/22/10/573412210.db2.gz ZOLXSQOPFAYPKX-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CC[C@@]1([C@@H]2CCCNC2)CCC[NH2+]1 258335252 573416178 /nfs/dbraw/zinc/41/61/78/573416178.db2.gz XGHRQIUJNINBRO-MNOVXSKESA-N 1 3 182.311 1.518 10 0 ADAEHO CC[N@H+](C(C)C)[C@@H]1CCC[C@H](N)C1 86410083 573418808 /nfs/dbraw/zinc/41/88/08/573418808.db2.gz VRQZZGOKVAYYAY-WDEREUQCSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[N@@H+](C(C)C)[C@@H]1CCC[C@H](N)C1 86410083 573418813 /nfs/dbraw/zinc/41/88/13/573418813.db2.gz VRQZZGOKVAYYAY-WDEREUQCSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[NH+]1CCC([C@@H]2NC[C@H](C)O2)CC1 258647360 573423351 /nfs/dbraw/zinc/42/33/51/573423351.db2.gz SDVWSMFEYMIJPX-GXSJLCMTSA-N 1 3 198.310 1.053 10 0 ADAEHO CCN(CC[C@@H]([NH3+])C1CC1)C1CC1 130013614 573423413 /nfs/dbraw/zinc/42/34/13/573423413.db2.gz IABDVHGKSQTOBK-LLVKDONJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H](CN)C(C)(C)[N@@H+]1C 107220469 573423423 /nfs/dbraw/zinc/42/34/23/573423423.db2.gz KUYRDHRFZRHYGC-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@H]1C[C@H](CN)C(C)(C)[N@H+]1C 107220469 573423432 /nfs/dbraw/zinc/42/34/32/573423432.db2.gz KUYRDHRFZRHYGC-JGVFFNPUSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1CCN(CC[C@H]([NH3+])C2CC2)CC1 130000757 573423450 /nfs/dbraw/zinc/42/34/50/573423450.db2.gz IQMDSWGWYRGRQS-LBPRGKRZSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[NH+]1CCC([C@H]2NC[C@@H](C)O2)CC1 258647374 573423586 /nfs/dbraw/zinc/42/35/86/573423586.db2.gz SDVWSMFEYMIJPX-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CC[N@@H+]1C1CC1 107223948 573429744 /nfs/dbraw/zinc/42/97/44/573429744.db2.gz AWTHGTDHLAPXHY-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1[C@@H](CN)CC[N@H+]1C1CC1 107223948 573429749 /nfs/dbraw/zinc/42/97/49/573429749.db2.gz AWTHGTDHLAPXHY-PSASIEDQSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@@H]1N(C)CCC[C@]12CCC[NH2+]C2 107237434 573436308 /nfs/dbraw/zinc/43/63/08/573436308.db2.gz FYXWZPLJAQDDHI-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]CCc1ccc(F)c(CN)c1 257813119 573436309 /nfs/dbraw/zinc/43/63/09/573436309.db2.gz BXMFVOYLROKDEW-UHFFFAOYSA-N 1 3 182.242 1.046 10 0 ADAEHO CC[C@@H]1[N@H+](C)CCC[C@]12CCCNC2 107237434 573436312 /nfs/dbraw/zinc/43/63/12/573436312.db2.gz FYXWZPLJAQDDHI-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@H]1[N@@H+](C)CCC[C@]12CCCNC2 107237434 573436317 /nfs/dbraw/zinc/43/63/17/573436317.db2.gz FYXWZPLJAQDDHI-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC(C)[C@@H]1[C@H]2NCCC[C@H]2C[N@@H+]1C 107229893 573436458 /nfs/dbraw/zinc/43/64/58/573436458.db2.gz RPZYTJWJAZOYHJ-GARJFASQSA-N 1 3 182.311 1.325 10 0 ADAEHO CC(C)[C@@H]1[C@H]2NCCC[C@H]2C[N@H+]1C 107229893 573436462 /nfs/dbraw/zinc/43/64/62/573436462.db2.gz RPZYTJWJAZOYHJ-GARJFASQSA-N 1 3 182.311 1.325 10 0 ADAEHO CC[C@@H]1[N@H+](C)CC[C@]12CCCNC2 107229671 573436517 /nfs/dbraw/zinc/43/65/17/573436517.db2.gz XKJGUXZXXRHIDW-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1[N@@H+](C)CC[C@]12CCCNC2 107229671 573436522 /nfs/dbraw/zinc/43/65/22/573436522.db2.gz XKJGUXZXXRHIDW-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC(C)(C)NC[C@@H](C)[NH2+]1 238395342 573436523 /nfs/dbraw/zinc/43/65/23/573436523.db2.gz FMOQQWIPJBEVPI-JGVFFNPUSA-N 1 3 156.273 1.125 10 0 ADAEHO CC[C@@H]1N(C)CC[C@]12CCC[NH2+]C2 107229671 573436526 /nfs/dbraw/zinc/43/65/26/573436526.db2.gz XKJGUXZXXRHIDW-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[C@@]2(CCCNC2)C(C)(C)[N@@H+]1C 107237406 573437130 /nfs/dbraw/zinc/43/71/30/573437130.db2.gz YWRGGXPSJJBILU-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@]2(CCCNC2)C(C)(C)[N@H+]1C 107237406 573437134 /nfs/dbraw/zinc/43/71/34/573437134.db2.gz YWRGGXPSJJBILU-ZYHUDNBSSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2CN1C1CC1 107235865 573437268 /nfs/dbraw/zinc/43/72/68/573437268.db2.gz LIEFQBAVPAZIDX-WCQGTBRESA-N 1 3 194.322 1.611 10 0 ADAEHO CCCCN(C)C[C@H]1C[NH2+]C[C@H](C)C1 308582087 573440402 /nfs/dbraw/zinc/44/04/02/573440402.db2.gz PUAZMAJTPMDOQH-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@H+](C)C[C@H]1CNC[C@H](C)C1 308582087 573440410 /nfs/dbraw/zinc/44/04/10/573440410.db2.gz PUAZMAJTPMDOQH-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CCCC[N@@H+](C)C[C@H]1CNC[C@H](C)C1 308582087 573440417 /nfs/dbraw/zinc/44/04/17/573440417.db2.gz PUAZMAJTPMDOQH-VXGBXAGGSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)(C)C[NH2+]CC[C@H](N)C1CC1 130043059 573440635 /nfs/dbraw/zinc/44/06/35/573440635.db2.gz SQYRMBXYCQGTCE-JTQLQIEISA-N 1 3 184.327 1.750 10 0 ADAEHO CC(C)[C@H]1[N@H+](C)CC[C@]12CCCNC2 107237421 573440763 /nfs/dbraw/zinc/44/07/63/573440763.db2.gz LZSAXDQEDUYMTR-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H]1[N@@H+](C)CC[C@]12CCCNC2 107237421 573440770 /nfs/dbraw/zinc/44/07/70/573440770.db2.gz LZSAXDQEDUYMTR-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@]2(CCCNC2)[C@H]1C 107237460 573443372 /nfs/dbraw/zinc/44/33/72/573443372.db2.gz PASSXYLUKVXLBH-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CC[C@@]2(CCCNC2)[C@H]1C 107237460 573443378 /nfs/dbraw/zinc/44/33/78/573443378.db2.gz PASSXYLUKVXLBH-VXGBXAGGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CC[C@]2(CCCNC2)[C@H]1C 107237454 573443453 /nfs/dbraw/zinc/44/34/53/573443453.db2.gz PASSXYLUKVXLBH-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CC[C@]2(CCCNC2)[C@H]1C 107237454 573443455 /nfs/dbraw/zinc/44/34/55/573443455.db2.gz PASSXYLUKVXLBH-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO Cc1ccc2cnc(CCC[NH3+])n2c1 257813589 573443608 /nfs/dbraw/zinc/44/36/08/573443608.db2.gz CFCMXEVMMIAPKD-UHFFFAOYSA-N 1 3 189.262 1.534 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH2+]C)C1CCCC1 259103194 573445844 /nfs/dbraw/zinc/44/58/44/573445844.db2.gz FETQNZGPFOSHET-MWLCHTKSSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@]1([C@H]2CCN(C)C2)CCC[NH2+]1 258355500 573445917 /nfs/dbraw/zinc/44/59/17/573445917.db2.gz YVMDZXZAABYGND-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2CNCC[C@@H]2C[N@@H+]1C 107237510 573445980 /nfs/dbraw/zinc/44/59/80/573445980.db2.gz UXBVIZLANRDUMS-IJLUTSLNSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2CNCC[C@@H]2C[N@H+]1C 107237510 573445983 /nfs/dbraw/zinc/44/59/83/573445983.db2.gz UXBVIZLANRDUMS-IJLUTSLNSA-N 1 3 196.338 1.572 10 0 ADAEHO CC[C@]1([C@@H]2CCN(C)C2)CCC[NH2+]1 258355497 573446043 /nfs/dbraw/zinc/44/60/43/573446043.db2.gz YVMDZXZAABYGND-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)N1CC([C@@H](F)CC[NH3+])C1 257816996 573451767 /nfs/dbraw/zinc/45/17/67/573451767.db2.gz DLFYGJNYBIIGMW-VIFPVBQESA-N 1 3 174.263 1.014 10 0 ADAEHO CN(C)[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 107258340 573451776 /nfs/dbraw/zinc/45/17/76/573451776.db2.gz JXDOYCCTVYOFOC-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO C[NH+](C)[C@@H]1CCN[C@H]2CCCC[C@@H]21 107258340 573451780 /nfs/dbraw/zinc/45/17/80/573451780.db2.gz JXDOYCCTVYOFOC-GARJFASQSA-N 1 3 182.311 1.469 10 0 ADAEHO CCN1CCCC[C@@H]1[C@H]1C[NH2+][C@H](C)C1 258350325 573451937 /nfs/dbraw/zinc/45/19/37/573451937.db2.gz YLVJWUDIKUXSLJ-IJLUTSLNSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)N1CC([C@H](F)CC[NH3+])C1 257816994 573451952 /nfs/dbraw/zinc/45/19/52/573451952.db2.gz DLFYGJNYBIIGMW-SECBINFHSA-N 1 3 174.263 1.014 10 0 ADAEHO C[NH2+]C[C@H](C(C)C)[C@H](N)C(C)C 259449707 573452116 /nfs/dbraw/zinc/45/21/16/573452116.db2.gz OATPWDLPZRIBHZ-NXEZZACHSA-N 1 3 172.316 1.461 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]([NH3+])C(C)C 259449707 573452120 /nfs/dbraw/zinc/45/21/20/573452120.db2.gz OATPWDLPZRIBHZ-NXEZZACHSA-N 1 3 172.316 1.461 10 0 ADAEHO CCC[C@@H]([C@@H]1CC[NH2+]C1)N(C)C 259452287 573454592 /nfs/dbraw/zinc/45/45/92/573454592.db2.gz JGPMIZBBDDPYMU-ZJUUUORDSA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@@H]([NH3+])CC[C@@H](N)c1ccccn1 259458476 573454605 /nfs/dbraw/zinc/45/46/05/573454605.db2.gz QUDKWWHTEROIRP-RKDXNWHRSA-N 1 3 179.267 1.209 10 0 ADAEHO C[NH+](C)CCc1ccc(F)c(CN)c1 257817259 573454714 /nfs/dbraw/zinc/45/47/14/573454714.db2.gz DTJRHWNUSGNXNZ-UHFFFAOYSA-N 1 3 196.269 1.389 10 0 ADAEHO CNC[C@H]1CC[N@H+](C[C@@H]2CC2(C)C)C1 234407180 571697198 /nfs/dbraw/zinc/69/71/98/571697198.db2.gz YQKGXYKDJMDBNV-MNOVXSKESA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C[C@@H]2CC2(C)C)C1 234407180 571697199 /nfs/dbraw/zinc/69/71/99/571697199.db2.gz YQKGXYKDJMDBNV-MNOVXSKESA-N 1 3 196.338 1.574 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]1CCC[N@@H+]1C 214035443 571707177 /nfs/dbraw/zinc/70/71/77/571707177.db2.gz BQMZDEKWHHTHAH-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@@H](C(C)C)[C@@H]1CCC[N@H+]1C 214035443 571707181 /nfs/dbraw/zinc/70/71/81/571707181.db2.gz BQMZDEKWHHTHAH-QWRGUYRKSA-N 1 3 184.327 1.572 10 0 ADAEHO CS[C@@H]1CCC[C@H]1[NH2+]CCCN 235274049 571716022 /nfs/dbraw/zinc/71/60/22/571716022.db2.gz ZCMDCPOEFAFLIE-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO CS[C@@H]1CCC[C@H]1NCCC[NH3+] 235274049 571716025 /nfs/dbraw/zinc/71/60/25/571716025.db2.gz ZCMDCPOEFAFLIE-RKDXNWHRSA-N 1 3 188.340 1.209 10 0 ADAEHO C[C@@H]1CN[C@@](C)(C[C@H]2CC[N@H+](C)C2)O1 258352837 573455107 /nfs/dbraw/zinc/45/51/07/573455107.db2.gz FVFZPUCSWBRICI-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@@](C)(C[C@H]2CC[N@@H+](C)C2)O1 258352837 573455113 /nfs/dbraw/zinc/45/51/13/573455113.db2.gz FVFZPUCSWBRICI-GMTAPVOTSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[NH2+]Cc1cnc(N)n1C(C)C 258354691 573455152 /nfs/dbraw/zinc/45/51/52/573455152.db2.gz YTOPPBGRBWRADW-UHFFFAOYSA-N 1 3 196.298 1.544 10 0 ADAEHO CC(C)NCc1c[nH+]c(N)n1C(C)C 258354691 573455155 /nfs/dbraw/zinc/45/51/55/573455155.db2.gz YTOPPBGRBWRADW-UHFFFAOYSA-N 1 3 196.298 1.544 10 0 ADAEHO C[C@@H]1CC[C@H]1[NH2+]CC1(CN)CCCC1 308590509 573455214 /nfs/dbraw/zinc/45/52/14/573455214.db2.gz KDWWIFGCLYZTCH-GHMZBOCLSA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 37157284 571716507 /nfs/dbraw/zinc/71/65/07/571716507.db2.gz TYHGKMOIPVIPAQ-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 37157284 571716509 /nfs/dbraw/zinc/71/65/09/571716509.db2.gz TYHGKMOIPVIPAQ-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CNC[C@H](C)C[N@H+](CC1CC1)C1CC1 70736863 571745780 /nfs/dbraw/zinc/74/57/80/571745780.db2.gz WTRKYCRGIZWWFS-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO CNC[C@H](C)C[N@@H+](CC1CC1)C1CC1 70736863 571745781 /nfs/dbraw/zinc/74/57/81/571745781.db2.gz WTRKYCRGIZWWFS-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@H](C)CN(CC1CC1)C1CC1 70736863 571745783 /nfs/dbraw/zinc/74/57/83/571745783.db2.gz WTRKYCRGIZWWFS-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](N)[C@](C)(F)[C@H]1CCC[N@H+](C)C1 257817692 573456937 /nfs/dbraw/zinc/45/69/37/573456937.db2.gz DWRAEYSOTFHRFR-GUBZILKMSA-N 1 3 188.290 1.404 10 0 ADAEHO C[C@H](N)[C@](C)(F)[C@H]1CCC[N@@H+](C)C1 257817692 573456940 /nfs/dbraw/zinc/45/69/40/573456940.db2.gz DWRAEYSOTFHRFR-GUBZILKMSA-N 1 3 188.290 1.404 10 0 ADAEHO C[N@@H+]1CC[C@H](c2nc(CN)cs2)C1 107265379 573456962 /nfs/dbraw/zinc/45/69/62/573456962.db2.gz DKHQXYSYICCVEI-ZETCQYMHSA-N 1 3 197.307 1.021 10 0 ADAEHO C[N@H+]1CC[C@H](c2nc(CN)cs2)C1 107265379 573456966 /nfs/dbraw/zinc/45/69/66/573456966.db2.gz DKHQXYSYICCVEI-ZETCQYMHSA-N 1 3 197.307 1.021 10 0 ADAEHO CC[C@@H](CNC)[N@@H+]1CCC[C@H]1C 251048637 571803786 /nfs/dbraw/zinc/80/37/86/571803786.db2.gz FOYVHXRFYRXKRB-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[C@@H](CNC)[N@H+]1CCC[C@H]1C 251048637 571803788 /nfs/dbraw/zinc/80/37/88/571803788.db2.gz FOYVHXRFYRXKRB-ZJUUUORDSA-N 1 3 170.300 1.469 10 0 ADAEHO Cc1c[nH]c(N[C@H](C)CC[NH+](C)C)n1 235437957 571909270 /nfs/dbraw/zinc/90/92/70/571909270.db2.gz KSPSFWIZGZRLSU-MRVPVSSYSA-N 1 3 196.298 1.470 10 0 ADAEHO C[NH2+]C[C@H](C)CN(C)CCCF 234377695 571910316 /nfs/dbraw/zinc/91/03/16/571910316.db2.gz FPBQFICOOKARIA-VIFPVBQESA-N 1 3 176.279 1.133 10 0 ADAEHO C[C@H](CC[NH+](C)C)Nc1ncc[nH]1 235438988 571910335 /nfs/dbraw/zinc/91/03/35/571910335.db2.gz DDOJHPNOMAWPKZ-MRVPVSSYSA-N 1 3 182.271 1.162 10 0 ADAEHO C[C@H](CN)[NH2+][C@H](C)c1ccncc1 235462626 571917091 /nfs/dbraw/zinc/91/70/91/571917091.db2.gz MLUQVYYRDDZZSJ-RKDXNWHRSA-N 1 3 179.267 1.079 10 0 ADAEHO C[C@H](CN)C[NH2+]C[C@H]1CC1(C)C 235461986 571917170 /nfs/dbraw/zinc/91/71/70/571917170.db2.gz SOKNNLYTMPNBIK-RKDXNWHRSA-N 1 3 170.300 1.217 10 0 ADAEHO CNCC[NH2+]C[C@@H](C)c1nccs1 234382111 571917176 /nfs/dbraw/zinc/91/71/76/571917176.db2.gz WMUUIDIRJISTHB-MRVPVSSYSA-N 1 3 199.323 1.056 10 0 ADAEHO CNCC[NH2+]C[C@H](C)c1nccs1 234382383 571917199 /nfs/dbraw/zinc/91/71/99/571917199.db2.gz WMUUIDIRJISTHB-QMMMGPOBSA-N 1 3 199.323 1.056 10 0 ADAEHO C[C@@H](CC(F)(F)F)NC[C@H](C)C[NH3+] 235462405 571917205 /nfs/dbraw/zinc/91/72/05/571917205.db2.gz UGXQQDMJJLHNFO-RQJHMYQMSA-N 1 3 198.232 1.512 10 0 ADAEHO NC[C@H](C[NH2+]C1CC1)C1CCCC1 258368328 573459438 /nfs/dbraw/zinc/45/94/38/573459438.db2.gz RXELZASKMZBIIJ-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO [NH3+]C[C@H](CNC1CC1)C1CCCC1 258368328 573459443 /nfs/dbraw/zinc/45/94/43/573459443.db2.gz RXELZASKMZBIIJ-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@@H]1C[N@H+](C)[C@H]([C@@H]2CCCNC2)[C@@H]1C 107265140 573459472 /nfs/dbraw/zinc/45/94/72/573459472.db2.gz OWHDVZLCKCBALZ-KKOKHZNYSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H]1C[N@@H+](C)[C@H]([C@@H]2CCCNC2)[C@@H]1C 107265140 573459478 /nfs/dbraw/zinc/45/94/78/573459478.db2.gz OWHDVZLCKCBALZ-KKOKHZNYSA-N 1 3 196.338 1.572 10 0 ADAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2CN)C1 40717052 571961523 /nfs/dbraw/zinc/96/15/23/571961523.db2.gz WDXJFAZSADTWEZ-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2CN)C1 40717052 571961525 /nfs/dbraw/zinc/96/15/25/571961525.db2.gz WDXJFAZSADTWEZ-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](CN)C[NH2+][C@H](C)C1CC1 398011697 571961575 /nfs/dbraw/zinc/96/15/75/571961575.db2.gz TXJNLGXNXWRHGZ-BDAKNGLRSA-N 1 3 170.300 1.359 10 0 ADAEHO C1CC[C@@H]2[C@H](C1)CNC[C@H]2[C@H]1CC[NH2+]1 687815684 571961579 /nfs/dbraw/zinc/96/15/79/571961579.db2.gz IZYSDQFAIBHCFW-DDHJBXDOSA-N 1 3 194.322 1.374 10 0 ADAEHO CCN[C@@H](C)C[C@H]1CCC[NH2+]1 86494693 573460664 /nfs/dbraw/zinc/46/06/64/573460664.db2.gz HYCJMWWGSWDPHY-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H]1CO[C@@](C)(C2CCN(C)CC2)[NH2+]1 258357969 573464994 /nfs/dbraw/zinc/46/49/94/573464994.db2.gz GDOVZWRPXXQDSZ-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@@H+]1CC[C@@H](C[C@H]2NC(C)(C)CO2)C1 258397117 573465074 /nfs/dbraw/zinc/46/50/74/573465074.db2.gz ICPWNNAZMOBIFD-UWVGGRQHSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@@H](C[C@H]2NC(C)(C)CO2)C1 258397117 573465076 /nfs/dbraw/zinc/46/50/76/573465076.db2.gz ICPWNNAZMOBIFD-UWVGGRQHSA-N 1 3 198.310 1.053 10 0 ADAEHO CC1(C)C[C@H]([NH2+]C(C)(C)C)CCN1 258660449 573465084 /nfs/dbraw/zinc/46/50/84/573465084.db2.gz GTWXDOXKNCXFSO-SECBINFHSA-N 1 3 184.327 1.905 10 0 ADAEHO C[NH2+]C[C@H]1CN(C2CC2)C(C)(C)C1 259461249 573465106 /nfs/dbraw/zinc/46/51/06/573465106.db2.gz QCOJTXQJZVAQPO-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@H]1C[N@H+](C2CC2)C(C)(C)C1 259461249 573465108 /nfs/dbraw/zinc/46/51/08/573465108.db2.gz QCOJTXQJZVAQPO-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@H]1C[N@@H+](C2CC2)C(C)(C)C1 259461249 573465115 /nfs/dbraw/zinc/46/51/15/573465115.db2.gz QCOJTXQJZVAQPO-VIFPVBQESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@]1([C@H]2CC[NH2+]C2)CCCCN1 258037428 573465178 /nfs/dbraw/zinc/46/51/78/573465178.db2.gz CKSGBHFMLCUEIH-VHSXEESVSA-N 1 3 168.284 1.128 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@](C)(F)CN)C1 257820674 573467043 /nfs/dbraw/zinc/46/70/43/573467043.db2.gz FUNGRJFTMGBREC-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@](C)(F)CN)C1 257820674 573467046 /nfs/dbraw/zinc/46/70/46/573467046.db2.gz FUNGRJFTMGBREC-ZJUUUORDSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)C[C@H]([C@H]1CCCNC1)[NH+](C)C 259464214 573471852 /nfs/dbraw/zinc/47/18/52/573471852.db2.gz JVRJCSQCOAZXLN-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C[C@H]([C@H]1CCC[NH2+]C1)N(C)C 259464214 573471857 /nfs/dbraw/zinc/47/18/57/573471857.db2.gz JVRJCSQCOAZXLN-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H](C[NH3+])CNc1ccncc1 83387614 573471963 /nfs/dbraw/zinc/47/19/63/573471963.db2.gz VLCYMFBXNJDCKG-MRVPVSSYSA-N 1 3 165.240 1.088 10 0 ADAEHO Cc1ccc([C@H](N)[C@@H](C)C[NH3+])cc1 259100673 573477849 /nfs/dbraw/zinc/47/78/49/573477849.db2.gz AXALVGVUWQEFRU-GXSJLCMTSA-N 1 3 178.279 1.590 10 0 ADAEHO CC(C)[C@H](C[NH3+])N1CC[C@@H](CF)C1 711520320 572000275 /nfs/dbraw/zinc/00/02/75/572000275.db2.gz PGXOBCAWVRZARR-UWVGGRQHSA-N 1 3 188.290 1.261 10 0 ADAEHO CCC(C)(C)CN(C)C[C@@H]1CC[NH2+]C1 713183733 572000322 /nfs/dbraw/zinc/00/03/22/572000322.db2.gz TYDDZZUNODVHIW-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)(CN)C[NH2+]CCc1cc[nH]c1 258677765 573481566 /nfs/dbraw/zinc/48/15/66/573481566.db2.gz DOAGWGBUMNIZGN-UHFFFAOYSA-N 1 3 195.310 1.132 10 0 ADAEHO C[C@@H]1C[C@@H]1CNC[C@H]1[NH2+]CCC[C@H]1C 300227593 572006620 /nfs/dbraw/zinc/00/66/20/572006620.db2.gz DSZGTKJCHSUHBJ-DDHJBXDOSA-N 1 3 196.338 1.620 10 0 ADAEHO CC[C@H](C)NC[C@@H]1[NH2+]CCC[C@H]1C 300227910 572008570 /nfs/dbraw/zinc/00/85/70/572008570.db2.gz HUXQNFUUCUMKES-VWYCJHECSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1C[C@@H]1CNC[C@@H]1[NH2+]CCC[C@H]1C 300227595 572008578 /nfs/dbraw/zinc/00/85/78/572008578.db2.gz DSZGTKJCHSUHBJ-KKOKHZNYSA-N 1 3 196.338 1.620 10 0 ADAEHO CCCCN(C)CC[C@@H]1CCC[NH2+]1 42171816 572008929 /nfs/dbraw/zinc/00/89/29/572008929.db2.gz NNBDIAUHQAUKPV-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO C[NH2+]C[C@H](C)NC[C@H]1CCC[C@H]1C 300237315 572014691 /nfs/dbraw/zinc/01/46/91/572014691.db2.gz YJXUNRSTKPWOJO-OUAUKWLOSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C)NC[C@H]1C 250204312 572015300 /nfs/dbraw/zinc/01/53/00/572015300.db2.gz BTLWLSSPGYMINO-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[N@H+]1CC[C@@H](C)NC[C@H]1C 250204312 572015303 /nfs/dbraw/zinc/01/53/03/572015303.db2.gz BTLWLSSPGYMINO-RKDXNWHRSA-N 1 3 156.273 1.079 10 0 ADAEHO CNC[C@H]1CC[N@H+](C(C)C)[C@@H]1C 259106589 573485075 /nfs/dbraw/zinc/48/50/75/573485075.db2.gz AWHLAGVZNKPKQP-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C(C)C)[C@@H]1C 259106589 573485084 /nfs/dbraw/zinc/48/50/84/573485084.db2.gz AWHLAGVZNKPKQP-NXEZZACHSA-N 1 3 170.300 1.325 10 0 ADAEHO CCC(C)(C)N(C)CCC(N)=[NH2+] 68998834 572017327 /nfs/dbraw/zinc/01/73/27/572017327.db2.gz FECICHAKBUHUDF-UHFFFAOYSA-N 1 3 171.288 1.433 10 0 ADAEHO CCC1CC[NH+](C[C@H](C)CN)CC1 42446225 572018488 /nfs/dbraw/zinc/01/84/88/572018488.db2.gz BDZYJLQNDUWPJW-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC1CCN(C[C@H](C)C[NH3+])CC1 42446225 572018491 /nfs/dbraw/zinc/01/84/91/572018491.db2.gz BDZYJLQNDUWPJW-SNVBAGLBSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCN[C@H](C(C)(C)[NH3+])C1 687774654 572022706 /nfs/dbraw/zinc/02/27/06/572022706.db2.gz HEJFFZVFSPBULY-SFYZADRCSA-N 1 3 156.273 1.112 10 0 ADAEHO CCCCCC[C@@](C)(N)C[NH3+] 35676956 572027962 /nfs/dbraw/zinc/02/79/62/572027962.db2.gz TYDDNYFWVPPEOV-SECBINFHSA-N 1 3 158.289 1.633 10 0 ADAEHO CC[C@H](C)C[C@](N)(CC)C[NH3+] 35676995 572028338 /nfs/dbraw/zinc/02/83/38/572028338.db2.gz LGGMEIGTWGHYFB-DTWKUNHWSA-N 1 3 158.289 1.489 10 0 ADAEHO CC[C@@H](C)C[C@@](N)(CC)C[NH3+] 35676992 572028353 /nfs/dbraw/zinc/02/83/53/572028353.db2.gz LGGMEIGTWGHYFB-BDAKNGLRSA-N 1 3 158.289 1.489 10 0 ADAEHO C[C@@H](N)CC[N@H+](C)CC1CCCC1 82492351 572041427 /nfs/dbraw/zinc/04/14/27/572041427.db2.gz HPVHCQAOEPEVOS-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H](N)CC[N@@H+](C)CC1CCCC1 82492351 572041430 /nfs/dbraw/zinc/04/14/30/572041430.db2.gz HPVHCQAOEPEVOS-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CC1CCCC1 82492351 572041433 /nfs/dbraw/zinc/04/14/33/572041433.db2.gz HPVHCQAOEPEVOS-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CNC[C@H](C)C[N@H+](C)CC1CCCC1 82493139 572041452 /nfs/dbraw/zinc/04/14/52/572041452.db2.gz PGMHPGCDEASTDE-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@H](C)C[N@@H+](C)CC1CCCC1 82493139 572041454 /nfs/dbraw/zinc/04/14/54/572041454.db2.gz PGMHPGCDEASTDE-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO NCc1coc2cccc(C[NH3+])c12 258686057 573493059 /nfs/dbraw/zinc/49/30/59/573493059.db2.gz MZHSEJHDJGWMKY-UHFFFAOYSA-N 1 3 176.219 1.350 10 0 ADAEHO c1cc(NCCC[NH2+]C2CC2)ccn1 36269414 572055214 /nfs/dbraw/zinc/05/52/14/572055214.db2.gz MSNKTWWREFKYTF-UHFFFAOYSA-N 1 3 191.278 1.636 10 0 ADAEHO CCCN(CCC)C[C@@H](C)C(N)=[NH2+] 36678033 572058453 /nfs/dbraw/zinc/05/84/53/572058453.db2.gz OWPZFCBJZYIDQK-SECBINFHSA-N 1 3 185.315 1.680 10 0 ADAEHO CC[C@H](CCN)[N@@H+]1CCC[C@H](C)C1 36677449 572058560 /nfs/dbraw/zinc/05/85/60/572058560.db2.gz HUIOVIGTALHARD-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](CCN)[N@H+]1CCC[C@H](C)C1 36677449 572058563 /nfs/dbraw/zinc/05/85/63/572058563.db2.gz HUIOVIGTALHARD-WDEREUQCSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](CC(N)=[NH2+])N(CC)CC 36677922 572060433 /nfs/dbraw/zinc/06/04/33/572060433.db2.gz YTKVPRRYHCMARR-QMMMGPOBSA-N 1 3 171.288 1.433 10 0 ADAEHO CCC[N@H+](C[C@H](C)CN)C1CC1 37096786 572089625 /nfs/dbraw/zinc/08/96/25/572089625.db2.gz QVBWNIMJCIULQT-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[N@@H+](C[C@H](C)CN)C1CC1 37096786 572089627 /nfs/dbraw/zinc/08/96/27/572089627.db2.gz QVBWNIMJCIULQT-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCN(C[C@H](C)C[NH3+])C1CC1 37096786 572089629 /nfs/dbraw/zinc/08/96/29/572089629.db2.gz QVBWNIMJCIULQT-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[NH2+]CC1(CNC)CCC1 258693770 573493589 /nfs/dbraw/zinc/49/35/89/573493589.db2.gz QPYPWHQAYUSQSC-UHFFFAOYSA-N 1 3 170.300 1.376 10 0 ADAEHO CCCC[C@H]1C[C@H](N)CC[N@@H+]1CC 83426096 573493596 /nfs/dbraw/zinc/49/35/96/573493596.db2.gz UXSOEVQVGBKWBA-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@H]1C[C@H](N)CC[N@H+]1CC 83426096 573493602 /nfs/dbraw/zinc/49/36/02/573493602.db2.gz UXSOEVQVGBKWBA-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@H]1C[C@H]([NH3+])CCN1CC 83426096 573493605 /nfs/dbraw/zinc/49/36/05/573493605.db2.gz UXSOEVQVGBKWBA-MNOVXSKESA-N 1 3 184.327 1.988 10 0 ADAEHO CC[C@H](CNC)C[NH2+]CCC(C)C 258684551 573493628 /nfs/dbraw/zinc/49/36/28/573493628.db2.gz PQUWAFFXJXIHIW-LLVKDONJSA-N 1 3 186.343 1.868 10 0 ADAEHO C[C@H]1C[C@@H]1CN(C)C[C@@H]1C[NH2+]C[C@@H]1C 82651204 572071824 /nfs/dbraw/zinc/07/18/24/572071824.db2.gz LHYFTRPGJHVDRS-YFKTTZPYSA-N 1 3 196.338 1.430 10 0 ADAEHO CC(C)(N)[C@H]([NH3+])Cc1ccccc1 34321036 572071862 /nfs/dbraw/zinc/07/18/62/572071862.db2.gz WBGNEOZSTJCAMG-SNVBAGLBSA-N 1 3 178.279 1.294 10 0 ADAEHO C[C@@H]1C[C@H]1CN(C)C[C@]1(C)CC[NH2+]C1 82651158 572071907 /nfs/dbraw/zinc/07/19/07/572071907.db2.gz GHHRUWFJTAHPTB-GRYCIOLGSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1C[C@H]1C[N@H+](C)C[C@@H]1CCC[C@@H]1N 82651763 572071973 /nfs/dbraw/zinc/07/19/73/572071973.db2.gz KBMQYAZWNYKUGI-RHYQMDGZSA-N 1 3 196.338 1.702 10 0 ADAEHO CCCC[C@H]1C[C@@H](N)CC[N@@H+]1CC 83426099 573493667 /nfs/dbraw/zinc/49/36/67/573493667.db2.gz UXSOEVQVGBKWBA-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CNCCC[NH2+]CC1(C)CCCC1 82625849 572073388 /nfs/dbraw/zinc/07/33/88/572073388.db2.gz HUZADYHCLPMNLE-UHFFFAOYSA-N 1 3 184.327 1.766 10 0 ADAEHO C[C@H](CCCC[NH3+])N1CC[C@H](F)C1 689812660 573493675 /nfs/dbraw/zinc/49/36/75/573493675.db2.gz BBYABAHTQSMIJP-ZJUUUORDSA-N 1 3 188.290 1.548 10 0 ADAEHO CCCC[C@H]1C[C@@H](N)CC[N@H+]1CC 83426099 573493676 /nfs/dbraw/zinc/49/36/76/573493676.db2.gz UXSOEVQVGBKWBA-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO CC1(C[NH2+]C[C@H]2CCCN2)CCCC1 82625843 572073427 /nfs/dbraw/zinc/07/34/27/572073427.db2.gz SSVCWAOLOLCIRC-LLVKDONJSA-N 1 3 196.338 1.908 10 0 ADAEHO CCCC[C@H]1C[C@@H]([NH3+])CCN1CC 83426099 573493680 /nfs/dbraw/zinc/49/36/80/573493680.db2.gz UXSOEVQVGBKWBA-QWRGUYRKSA-N 1 3 184.327 1.988 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCCNCC1 82666946 572078434 /nfs/dbraw/zinc/07/84/34/572078434.db2.gz OSUSEMKPAJOHLC-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCNCC1 82666946 572078436 /nfs/dbraw/zinc/07/84/36/572078436.db2.gz OSUSEMKPAJOHLC-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO C[N@H+](C1CCCC1)C(C)(C)CCN 258694446 573493780 /nfs/dbraw/zinc/49/37/80/573493780.db2.gz BPUQBRATYDYPAI-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO C[N@@H+](C1CCCC1)C(C)(C)CCN 258694446 573493785 /nfs/dbraw/zinc/49/37/85/573493785.db2.gz BPUQBRATYDYPAI-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCCN(C)CCC(C)(C)[NH3+] 82777056 572111284 /nfs/dbraw/zinc/11/12/84/572111284.db2.gz UEFOCNJXIZNFKK-UHFFFAOYSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[NH2+]CCNC1(C)CCCC1 82785882 572111674 /nfs/dbraw/zinc/11/16/74/572111674.db2.gz LFUJQQIDYQXJKY-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO C[C@H](N)CC[NH2+]C1(C)CCCC1 82785814 572111736 /nfs/dbraw/zinc/11/17/36/572111736.db2.gz LMELIBHVHQLGKG-VIFPVBQESA-N 1 3 170.300 1.646 10 0 ADAEHO C[C@@H](N)CC[NH2+]CC1CCCC1 258690303 573495281 /nfs/dbraw/zinc/49/52/81/573495281.db2.gz FUZJYHWOYGDWNV-SECBINFHSA-N 1 3 170.300 1.504 10 0 ADAEHO CCCC[C@@H]1C[C@@H](N)CC[N@@H+]1CC 83426097 573495187 /nfs/dbraw/zinc/49/51/87/573495187.db2.gz UXSOEVQVGBKWBA-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H]1C[C@@H](N)CC[N@H+]1CC 83426097 573495191 /nfs/dbraw/zinc/49/51/91/573495191.db2.gz UXSOEVQVGBKWBA-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H]1C[C@@H]([NH3+])CCN1CC 83426097 573495195 /nfs/dbraw/zinc/49/51/95/573495195.db2.gz UXSOEVQVGBKWBA-WDEREUQCSA-N 1 3 184.327 1.988 10 0 ADAEHO NC[C@H]1CCC[C@H]1[NH2+]CCC(F)F 308394188 573495246 /nfs/dbraw/zinc/49/52/46/573495246.db2.gz CHFQUKVSYGFVQD-HTQZYQBOSA-N 1 3 192.253 1.359 10 0 ADAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1N 300390581 572160947 /nfs/dbraw/zinc/16/09/47/572160947.db2.gz UPVWGNJCVFOADN-DBIOUOCHSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CCC[C@H]1[NH3+] 300390581 572160948 /nfs/dbraw/zinc/16/09/48/572160948.db2.gz UPVWGNJCVFOADN-DBIOUOCHSA-N 1 3 182.311 1.502 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@H]1NCCC(F)F 308394188 573495252 /nfs/dbraw/zinc/49/52/52/573495252.db2.gz CHFQUKVSYGFVQD-HTQZYQBOSA-N 1 3 192.253 1.359 10 0 ADAEHO [NH3+]C1(CNCCc2ccccc2)CC1 258691231 573495261 /nfs/dbraw/zinc/49/52/61/573495261.db2.gz QHZAJWWABHBHKV-UHFFFAOYSA-N 1 3 190.290 1.310 10 0 ADAEHO C[C@H]1CC[C@@H]([NH2+]C2CCNCC2)[C@@H]1C 83041687 572187349 /nfs/dbraw/zinc/18/73/49/572187349.db2.gz BLDOUKVNTILXTC-HOSYDEDBSA-N 1 3 196.338 1.763 10 0 ADAEHO CCCCN1[C@@H](C)CC[NH2+]C[C@H]1C 249855569 572189934 /nfs/dbraw/zinc/18/99/34/572189934.db2.gz LOTVVYWXKRNROL-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H](CN)C[NH+](CC)CC 83606290 572343429 /nfs/dbraw/zinc/34/34/29/572343429.db2.gz DUUWMZIEIQXWCX-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CC[C@@H](C[NH3+])CN(CC)CC 83606290 572343433 /nfs/dbraw/zinc/34/34/33/572343433.db2.gz DUUWMZIEIQXWCX-VIFPVBQESA-N 1 3 158.289 1.313 10 0 ADAEHO CN[C@@H](c1ccc(C)cc1)[C@H](C)C[NH3+] 259477643 573498298 /nfs/dbraw/zinc/49/82/98/573498298.db2.gz PNOGHZAUIODARZ-ZYHUDNBSSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccncc1 83428605 573499144 /nfs/dbraw/zinc/49/91/44/573499144.db2.gz METSTHCWZQNQBI-ZJUUUORDSA-N 1 3 191.278 1.398 10 0 ADAEHO CC[N@@H+]1CC[C@@H](CNC)C1(C)C 259478502 573499168 /nfs/dbraw/zinc/49/91/68/573499168.db2.gz REJVVISTWYGPHH-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC[N@H+]1CC[C@@H](CNC)C1(C)C 259478502 573499172 /nfs/dbraw/zinc/49/91/72/573499172.db2.gz REJVVISTWYGPHH-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@H](NC)[C@H](C)[N@H+]1CC[C@H](C)C1 43908097 572240039 /nfs/dbraw/zinc/24/00/39/572240039.db2.gz PNVKGFAYEOIYEG-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)[C@@H](C)CC 83606827 572343310 /nfs/dbraw/zinc/34/33/10/572343310.db2.gz SXCNULQKQWIVKC-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)[C@@H](C)CC 83606827 572343313 /nfs/dbraw/zinc/34/33/13/572343313.db2.gz SXCNULQKQWIVKC-UWVGGRQHSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](CN)C[NH2+]C1CCCCC1 83607273 572343339 /nfs/dbraw/zinc/34/33/39/572343339.db2.gz QLRHHRDIFBCIHY-SNVBAGLBSA-N 1 3 184.327 1.894 10 0 ADAEHO CCC[C@H](CN)C[N@H+](C)CC(C)C 83606812 572343366 /nfs/dbraw/zinc/34/33/66/572343366.db2.gz ARAQWTZHRAZOTD-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CCC[C@H](CN)C[N@@H+](C)CC(C)C 83606812 572343369 /nfs/dbraw/zinc/34/33/69/572343369.db2.gz ARAQWTZHRAZOTD-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC(C)[C@H](C[NH3+])CN(C)C1CC1 83606727 572343420 /nfs/dbraw/zinc/34/34/20/572343420.db2.gz CMXGTPDQWRPCKU-SECBINFHSA-N 1 3 170.300 1.312 10 0 ADAEHO C[NH2+]CC1(CN2CCCCC2)CC1 258707336 573506008 /nfs/dbraw/zinc/50/60/08/573506008.db2.gz SAGBYEDZMUMAIB-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO CNCC1(C[NH+]2CCCCC2)CC1 258707336 573506011 /nfs/dbraw/zinc/50/60/11/573506011.db2.gz SAGBYEDZMUMAIB-UHFFFAOYSA-N 1 3 182.311 1.472 10 0 ADAEHO C[NH2+]C[C@@H](CN(C)C)C(C)C 258715646 573506077 /nfs/dbraw/zinc/50/60/77/573506077.db2.gz SWQHLZGDLZWCSG-VIFPVBQESA-N 1 3 158.289 1.040 10 0 ADAEHO C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 86599082 573506119 /nfs/dbraw/zinc/50/61/19/573506119.db2.gz BFJJYUFSXJRZAK-BDAKNGLRSA-N 1 3 156.273 1.079 10 0 ADAEHO CC[C@@H]1CCC[C@@](N)(C[NH3+])CC1 83436008 573506126 /nfs/dbraw/zinc/50/61/26/573506126.db2.gz QXQPCIKRZDZXAV-ZJUUUORDSA-N 1 3 170.300 1.633 10 0 ADAEHO CC(C)[C@@H](CN)C[NH+]1CCCC1 83606271 572344262 /nfs/dbraw/zinc/34/42/62/572344262.db2.gz WYAHDTSJALCTSA-JTQLQIEISA-N 1 3 170.300 1.313 10 0 ADAEHO CCC[C@H](CN)C[N@@H+]1CC[C@H](C)C1 83607522 572344419 /nfs/dbraw/zinc/34/44/19/572344419.db2.gz UWCAUQLACZSEMU-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CCC[C@H](CN)C[N@H+]1CC[C@H](C)C1 83607522 572344421 /nfs/dbraw/zinc/34/44/21/572344421.db2.gz UWCAUQLACZSEMU-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO CC[C@H](CN)C[N@H+](C)CCC(C)C 83607683 572345539 /nfs/dbraw/zinc/34/55/39/572345539.db2.gz XVAXIZOEDGIWTL-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[C@H](CN)C[N@@H+](C)CCC(C)C 83607683 572345542 /nfs/dbraw/zinc/34/55/42/572345542.db2.gz XVAXIZOEDGIWTL-LLVKDONJSA-N 1 3 186.343 1.949 10 0 ADAEHO CC[N@@H+](C[C@@H](CN)C(C)C)C(C)C 83606736 572346321 /nfs/dbraw/zinc/34/63/21/572346321.db2.gz IRZSXYLPDCRIRV-LLVKDONJSA-N 1 3 186.343 1.948 10 0 ADAEHO CC[N@H+](C)C[C@H](CN)C(C)C 83606704 572346801 /nfs/dbraw/zinc/34/68/01/572346801.db2.gz KLJFQCLXJPQRHM-VIFPVBQESA-N 1 3 158.289 1.169 10 0 ADAEHO CC[N@@H+](C)C[C@H](CN)C(C)C 83606704 572346804 /nfs/dbraw/zinc/34/68/04/572346804.db2.gz KLJFQCLXJPQRHM-VIFPVBQESA-N 1 3 158.289 1.169 10 0 ADAEHO CCN(C)C[C@H](C[NH3+])C(C)C 83606704 572346808 /nfs/dbraw/zinc/34/68/08/572346808.db2.gz KLJFQCLXJPQRHM-VIFPVBQESA-N 1 3 158.289 1.169 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)[C@H](C)CC 83606825 572346850 /nfs/dbraw/zinc/34/68/50/572346850.db2.gz SXCNULQKQWIVKC-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)[C@H](C)CC 83606825 572346854 /nfs/dbraw/zinc/34/68/54/572346854.db2.gz SXCNULQKQWIVKC-ZJUUUORDSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[NH2+]C[C@@H](CC)CNC 258715492 573506256 /nfs/dbraw/zinc/50/62/56/573506256.db2.gz SVTIFKYPXNBWMC-VIFPVBQESA-N 1 3 158.289 1.232 10 0 ADAEHO CC(C)[C@H]1CCC[N@H+](C)C[C@@H]1N 76598341 572379612 /nfs/dbraw/zinc/37/96/12/572379612.db2.gz JWBZMQGEKMSRIC-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H]1CCC[N@@H+](C)C[C@@H]1N 76598341 572379614 /nfs/dbraw/zinc/37/96/14/572379614.db2.gz JWBZMQGEKMSRIC-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC(CC)[NH2+][C@@H](C)CCN 87155909 572379665 /nfs/dbraw/zinc/37/96/65/572379665.db2.gz IJDAZMASSFHYIW-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)C1(CN)CCC1 259110895 573506450 /nfs/dbraw/zinc/50/64/50/573506450.db2.gz AUYDDDLKXNCRMY-JTQLQIEISA-N 1 3 184.327 1.750 10 0 ADAEHO CC1(C)C[C@H]([NH2+]CC2CCCC2)CN1 258716829 573506459 /nfs/dbraw/zinc/50/64/59/573506459.db2.gz GCIVLIRGYGQGDT-NSHDSACASA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@]1(N)C[N@H+](C)CCC(C)(C)C1 76629742 572418756 /nfs/dbraw/zinc/41/87/56/572418756.db2.gz DHXJTKAXBASCIP-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@]1(N)C[N@@H+](C)CCC(C)(C)C1 76629742 572418758 /nfs/dbraw/zinc/41/87/58/572418758.db2.gz DHXJTKAXBASCIP-LLVKDONJSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1CCC[C@](N)(C[NH3+])CC1 83436007 573507321 /nfs/dbraw/zinc/50/73/21/573507321.db2.gz QXQPCIKRZDZXAV-VHSXEESVSA-N 1 3 170.300 1.633 10 0 ADAEHO [NH3+]CCCC(=O)CCN1CCCCC1 74236985 572437402 /nfs/dbraw/zinc/43/74/02/572437402.db2.gz WUKBSHSOUDUDEL-UHFFFAOYSA-N 1 3 198.310 1.170 10 0 ADAEHO C[C@H](N)CC[NH2+]CCC1CCCC1 258724812 573512519 /nfs/dbraw/zinc/51/25/19/573512519.db2.gz JFHMZFMKGFKNMA-JTQLQIEISA-N 1 3 184.327 1.894 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@H]2CCCCC[C@@H]2C1 250609978 572493738 /nfs/dbraw/zinc/49/37/38/572493738.db2.gz MIPJUTFTIVUPJX-WOPDTQHZSA-N 1 3 196.338 1.703 10 0 ADAEHO CN1C[C@@H]2CC[NH2+][C@H]2C2(CCCC2)C1 250604621 572494283 /nfs/dbraw/zinc/49/42/83/572494283.db2.gz KXPCPHFSOTVZOZ-WDEREUQCSA-N 1 3 194.322 1.470 10 0 ADAEHO C=C/C=C\CCN1CCC[C@H]1C[NH3+] 713716859 572497519 /nfs/dbraw/zinc/49/75/19/572497519.db2.gz MCZYRSFANURNKJ-BYCRGOAPSA-N 1 3 180.295 1.542 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1CC[C@@H](C)N 84125924 572503860 /nfs/dbraw/zinc/50/38/60/572503860.db2.gz NDIZOTMYNQEDNQ-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@@H+]1CC[C@@H](C)N 84125924 572503862 /nfs/dbraw/zinc/50/38/62/572503862.db2.gz NDIZOTMYNQEDNQ-MNOVXSKESA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](C)CN 84125251 572503909 /nfs/dbraw/zinc/50/39/09/572503909.db2.gz CVJYILXMQBFQGP-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@H]2CCCC[C@H]2C1 250638198 572504144 /nfs/dbraw/zinc/50/41/44/572504144.db2.gz SNBKRQWXHYOGHG-DCAQKATOSA-N 1 3 182.311 1.313 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1C(C)(C)N 107326770 573512600 /nfs/dbraw/zinc/51/26/00/573512600.db2.gz SZMKQWJBOKUBLQ-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[N@H+]1CCCC[C@H]1C(C)(C)N 107326770 573512608 /nfs/dbraw/zinc/51/26/08/573512608.db2.gz SZMKQWJBOKUBLQ-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@H](C)[C@@H](C)[N@H+](C)CCCNC 87472392 572505478 /nfs/dbraw/zinc/50/54/78/572505478.db2.gz XDBXRPAFXXSOFS-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C)[C@@H](C)[N@@H+](C)CCCNC 87472392 572505483 /nfs/dbraw/zinc/50/54/83/572505483.db2.gz XDBXRPAFXXSOFS-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CNCCC[N@H+](C)[C@H]1CC[C@@H](C)C1 87472183 572506480 /nfs/dbraw/zinc/50/64/80/572506480.db2.gz KFJICQXHTFQIJQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CNCCC[N@@H+](C)[C@H]1CC[C@@H](C)C1 87472183 572506483 /nfs/dbraw/zinc/50/64/83/572506483.db2.gz KFJICQXHTFQIJQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CCCN(C)[C@H]1CC[C@@H](C)C1 87472183 572506486 /nfs/dbraw/zinc/50/64/86/572506486.db2.gz KFJICQXHTFQIJQ-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO C[N@@H+]1CCC[C@H]1[C@@H](N)C1CCCCC1 250662367 572521454 /nfs/dbraw/zinc/52/14/54/572521454.db2.gz ZBDFYBOUAFMFMF-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+]1CCC[C@H]1[C@@H](N)C1CCCCC1 250662367 572521461 /nfs/dbraw/zinc/52/14/61/572521461.db2.gz ZBDFYBOUAFMFMF-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](CN)C[NH2+]CCC1CCCC1 258724808 573513249 /nfs/dbraw/zinc/51/32/49/573513249.db2.gz JEZYYYMVQDQCDG-SNVBAGLBSA-N 1 3 184.327 1.751 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1C1CCCC1 250657481 572521636 /nfs/dbraw/zinc/52/16/36/572521636.db2.gz YCSYAUAPQJXSAI-WDEREUQCSA-N 1 3 182.311 1.456 10 0 ADAEHO CC(C)C(=[NH2+])N1CCC(N(C)C)CC1 62990622 572524410 /nfs/dbraw/zinc/52/44/10/572524410.db2.gz OFOCNVSEZPVVEU-UHFFFAOYSA-N 1 3 197.326 1.646 10 0 ADAEHO C[NH2+]C[C@H](CNC1CC1)C(C)C 258719608 573513860 /nfs/dbraw/zinc/51/38/60/573513860.db2.gz UAXOZTYIUYWUGF-SECBINFHSA-N 1 3 170.300 1.230 10 0 ADAEHO CCCC[NH2+]C[C@@H](CC)CNC 258738418 573518741 /nfs/dbraw/zinc/51/87/41/573518741.db2.gz VWIDGQPGAMSAQL-JTQLQIEISA-N 1 3 172.316 1.622 10 0 ADAEHO CC(C)[C@H]([C@@H]1CCCNC1)[NH+](C)C 259483814 573518769 /nfs/dbraw/zinc/51/87/69/573518769.db2.gz KSWIEGLDBVDCHE-GHMZBOCLSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H]([C@H](F)CN)C1 257823165 573518901 /nfs/dbraw/zinc/51/89/01/573518901.db2.gz GNNBIKXUEDLNHV-VHSXEESVSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H]([C@H](F)CN)C1 257823165 573518904 /nfs/dbraw/zinc/51/89/04/573518904.db2.gz GNNBIKXUEDLNHV-VHSXEESVSA-N 1 3 188.290 1.404 10 0 ADAEHO C[C@@H](CN)[C@@H]1CCCC[N@@H+]1C 83268929 572619073 /nfs/dbraw/zinc/61/90/73/572619073.db2.gz LTYWUDMSVDHAMV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CN)[C@@H]1CCCC[N@H+]1C 83268929 572619075 /nfs/dbraw/zinc/61/90/75/572619075.db2.gz LTYWUDMSVDHAMV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](C[NH3+])[C@@H]1CCCCN1C 83268929 572619077 /nfs/dbraw/zinc/61/90/77/572619077.db2.gz LTYWUDMSVDHAMV-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CCN(C/C=C/C[NH3+])C[C@@H]1CCCO1 85054889 572637119 /nfs/dbraw/zinc/63/71/19/572637119.db2.gz PQZWHZNIHLACLP-UFFNRZRYSA-N 1 3 198.310 1.002 10 0 ADAEHO C1CC(C[N@H+]2C[C@@H]3CCCN[C@H]3C2)C1 299892753 572662551 /nfs/dbraw/zinc/66/25/51/572662551.db2.gz CUWQUMIOVIRUEK-RYUDHWBXSA-N 1 3 194.322 1.470 10 0 ADAEHO CCC[C@@H](N)C[C@@H]1CCCC[NH2+]1 259485346 573523493 /nfs/dbraw/zinc/52/34/93/573523493.db2.gz SPLPPCQZYJDXMJ-ZJUUUORDSA-N 1 3 170.300 1.646 10 0 ADAEHO CCC[C@@H]([NH3+])C[C@@H]1CCCCN1 259485346 573523495 /nfs/dbraw/zinc/52/34/95/573523495.db2.gz SPLPPCQZYJDXMJ-ZJUUUORDSA-N 1 3 170.300 1.646 10 0 ADAEHO C1CC(C[N@@H+]2C[C@H]3CCCN[C@H]3C2)C1 299892752 572663107 /nfs/dbraw/zinc/66/31/07/572663107.db2.gz CUWQUMIOVIRUEK-NEPJUHHUSA-N 1 3 194.322 1.470 10 0 ADAEHO C1CN[C@H]2C[N@H+](CC3CC3)C[C@H]2C1 299894013 572673953 /nfs/dbraw/zinc/67/39/53/572673953.db2.gz RLPGSHYWRQUEOW-MNOVXSKESA-N 1 3 180.295 1.080 10 0 ADAEHO C1CN[C@H]2C[N@@H+](CC3CC3)C[C@H]2C1 299894013 572673958 /nfs/dbraw/zinc/67/39/58/572673958.db2.gz RLPGSHYWRQUEOW-MNOVXSKESA-N 1 3 180.295 1.080 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H](CN)C1(C)C 259491561 573531350 /nfs/dbraw/zinc/53/13/50/573531350.db2.gz SCZRVFFEHAKSOO-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H](CN)C1(C)C 259491561 573531356 /nfs/dbraw/zinc/53/13/56/573531356.db2.gz SCZRVFFEHAKSOO-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CN1CCCC[C@H]1C1(C[NH3+])CC1 107331421 573531395 /nfs/dbraw/zinc/53/13/95/573531395.db2.gz KHFDHEQCHZJFMV-VIFPVBQESA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@H](N)C1(C[NH2+]C)CCC1 259491653 573531530 /nfs/dbraw/zinc/53/15/30/573531530.db2.gz QHEYHXVJMNQXTL-QMMMGPOBSA-N 1 3 156.273 1.113 10 0 ADAEHO CN1CCC[C@H]2CC[NH2+]CC[C@@H]21 107331408 573531544 /nfs/dbraw/zinc/53/15/44/573531544.db2.gz YRBJNSRKHCTNQL-UWVGGRQHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)(C[NH3+])CNCc1ccc[nH]1 258758617 573531580 /nfs/dbraw/zinc/53/15/80/573531580.db2.gz MXAAWESRWRZMGA-UHFFFAOYSA-N 1 3 181.283 1.089 10 0 ADAEHO C[C@@H]1C[C@H](CN2CCCCC2)C[NH2+]1 258051543 573531583 /nfs/dbraw/zinc/53/15/83/573531583.db2.gz DCHOMGIWJXTTBB-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)(CN)C[NH2+]Cc1ccc[nH]1 258758617 573531584 /nfs/dbraw/zinc/53/15/84/573531584.db2.gz MXAAWESRWRZMGA-UHFFFAOYSA-N 1 3 181.283 1.089 10 0 ADAEHO C[C@@H]1C[C@@H](C2CCCC2)[C@@H](CN)C[NH2+]1 253484665 572683916 /nfs/dbraw/zinc/68/39/16/572683916.db2.gz IVAUREDLPOQIEG-USWWRNFRSA-N 1 3 196.338 1.750 10 0 ADAEHO Cc1ccccc1[C@H](N)[C@H](C)C[NH3+] 259488513 573531942 /nfs/dbraw/zinc/53/19/42/573531942.db2.gz SSVTUEYQAXAUMR-MWLCHTKSSA-N 1 3 178.279 1.590 10 0 ADAEHO CN[C@@H](C[C@H]1CCC[NH2+]1)C1CCC1 259493520 573535602 /nfs/dbraw/zinc/53/56/02/573535602.db2.gz RNLMVGMUDMQDSC-MNOVXSKESA-N 1 3 182.311 1.517 10 0 ADAEHO CCN1CCCC[C@@H]1C[C@H](C)[NH2+]C 253621142 572703767 /nfs/dbraw/zinc/70/37/67/572703767.db2.gz ZOQWVDLRDNEKCW-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CN[C@H](CCC[NH3+])c1ccccc1F 259493508 573535687 /nfs/dbraw/zinc/53/56/87/573535687.db2.gz RNEYUIREPHJIKA-LLVKDONJSA-N 1 3 196.269 1.825 10 0 ADAEHO CC[C@H](CNC)[C@H]([NH2+]C)C(C)(C)C 259104963 573536241 /nfs/dbraw/zinc/53/62/41/573536241.db2.gz FGUDAQAALTXRMN-ZJUUUORDSA-N 1 3 186.343 1.866 10 0 ADAEHO CNC[C@H]1CC[C@H]1[N@@H+]1CCCC[C@@H]1C 87921498 572747407 /nfs/dbraw/zinc/74/74/07/572747407.db2.gz XHVGMNLZGCUZPH-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C/C=C\CCNC1(C[NH3+])CC1 307904798 572749812 /nfs/dbraw/zinc/74/98/12/572749812.db2.gz ZMJPHGHZHLOGDN-IHWYPQMZSA-N 1 3 154.257 1.034 10 0 ADAEHO C[N@@H+]1C[C@H](CN)CCC1(C)C 259499861 573545906 /nfs/dbraw/zinc/54/59/06/573545906.db2.gz SVRKAYMGMCKJSX-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[N@H+]1C[C@H](CN)CCC1(C)C 259499861 573545914 /nfs/dbraw/zinc/54/59/14/573545914.db2.gz SVRKAYMGMCKJSX-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO CN1C[C@H](C[NH3+])CCC1(C)C 259499861 573545918 /nfs/dbraw/zinc/54/59/18/573545918.db2.gz SVRKAYMGMCKJSX-QMMMGPOBSA-N 1 3 156.273 1.066 10 0 ADAEHO Nc1ccncc1C1=C[C@H]([NH3+])CC1 83548074 573545989 /nfs/dbraw/zinc/54/59/89/573545989.db2.gz HZFZFCJUYAWXIW-MRVPVSSYSA-N 1 3 175.235 1.168 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]1C 86658240 573546033 /nfs/dbraw/zinc/54/60/33/573546033.db2.gz QGYPDOBMTHEMPJ-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]([C@@H]1CCCNC1)[N@H+]1CCC[C@H]1C 86658240 573546045 /nfs/dbraw/zinc/54/60/45/573546045.db2.gz QGYPDOBMTHEMPJ-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[Si](C)(C)CC[NH2+]CCCN 238523899 572757954 /nfs/dbraw/zinc/75/79/54/572757954.db2.gz NRRYFXAXPAUHEO-UHFFFAOYSA-N 1 3 174.364 1.263 10 0 ADAEHO CCCC1CN(C/C=C\C[NH3+])C1 307921577 572760284 /nfs/dbraw/zinc/76/02/84/572760284.db2.gz GGKGRFNWXNDAHP-ARJAWSKDSA-N 1 3 168.284 1.233 10 0 ADAEHO CCNC[C@@H](C)[C@H](C)[N@H+](C)C(C)C 87947085 572760379 /nfs/dbraw/zinc/76/03/79/572760379.db2.gz FUKJSLLJSKWFFB-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO CCNC[C@@H](C)[C@H](C)[N@@H+](C)C(C)C 87947085 572760383 /nfs/dbraw/zinc/76/03/83/572760383.db2.gz FUKJSLLJSKWFFB-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO CC[NH2+]C[C@@H](C)[C@H](C)N(C)C(C)C 87947085 572760385 /nfs/dbraw/zinc/76/03/85/572760385.db2.gz FUKJSLLJSKWFFB-MNOVXSKESA-N 1 3 186.343 1.961 10 0 ADAEHO CC(C)C1CN(C/C=C\C[NH3+])C1 307922192 572760387 /nfs/dbraw/zinc/76/03/87/572760387.db2.gz HSWQCVYWSKTDAP-ARJAWSKDSA-N 1 3 168.284 1.089 10 0 ADAEHO CCC[C@H]([NH2+][C@@H](C)C1CNC1)C1CC1 686246953 573549201 /nfs/dbraw/zinc/54/92/01/573549201.db2.gz NTQONJXWCCLBOX-CABZTGNLSA-N 1 3 196.338 1.763 10 0 ADAEHO C[C@@H]([C@H]1CCCNC1)[NH+]1CCCC1 86658728 573549204 /nfs/dbraw/zinc/54/92/04/573549204.db2.gz ZFFSOZIQGXJXJG-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[C@H]([NH2+][C@H](C)C1CNC1)C1CC1 686246955 573549429 /nfs/dbraw/zinc/54/94/29/573549429.db2.gz NTQONJXWCCLBOX-SKDRFNHKSA-N 1 3 196.338 1.763 10 0 ADAEHO CCSCCCN[C@H](C)[C@H](C)[NH3+] 308123326 572767078 /nfs/dbraw/zinc/76/70/78/572767078.db2.gz SKCLSGDOPPLCAK-DTWKUNHWSA-N 1 3 190.356 1.455 10 0 ADAEHO CC(C)C1CN(C[C@@H]2CCC[NH2+]C2)C1 86663254 573554639 /nfs/dbraw/zinc/55/46/39/573554639.db2.gz JELOHMWWWKXRAN-LLVKDONJSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)C1C[NH+](C[C@@H]2CCCNC2)C1 86663254 573554647 /nfs/dbraw/zinc/55/46/47/573554647.db2.gz JELOHMWWWKXRAN-LLVKDONJSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)C1C[NH+]([C@H]2CCC[C@H]2N)C1 86678306 573556932 /nfs/dbraw/zinc/55/69/32/573556932.db2.gz FXPBCQOHPHOWDV-MNOVXSKESA-N 1 3 182.311 1.454 10 0 ADAEHO CC1C[NH+]([C@H]2CCC[C@@H]2CN)C1 86679836 573556946 /nfs/dbraw/zinc/55/69/46/573556946.db2.gz YBWVSCYDFVLMCY-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CC1CN([C@H]2CCC[C@@H]2C[NH3+])C1 86679836 573556950 /nfs/dbraw/zinc/55/69/50/573556950.db2.gz YBWVSCYDFVLMCY-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO CCC1C[NH+]([C@H]2CCC[C@@H]2CN)C1 86679827 573557111 /nfs/dbraw/zinc/55/71/11/573557111.db2.gz UCWUQXUYKCDNBV-MNOVXSKESA-N 1 3 182.311 1.456 10 0 ADAEHO CC[C@H](CN)[NH+]1CC2(CCCCC2)C1 86679647 573557237 /nfs/dbraw/zinc/55/72/37/573557237.db2.gz HPFFKPYDVCQLDY-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CC[C@@H](CN)[NH+]1CC2(CCCCC2)C1 86679645 573557276 /nfs/dbraw/zinc/55/72/76/573557276.db2.gz HPFFKPYDVCQLDY-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CCSC[C@@H](C)[NH2+]C[C@@H](C)CN 307930061 572777797 /nfs/dbraw/zinc/77/77/97/572777797.db2.gz BPLKUGVORWZZMF-DTWKUNHWSA-N 1 3 190.356 1.312 10 0 ADAEHO CCSC[C@@H](C)NC[C@@H](C)C[NH3+] 307930061 572777800 /nfs/dbraw/zinc/77/78/00/572777800.db2.gz BPLKUGVORWZZMF-DTWKUNHWSA-N 1 3 190.356 1.312 10 0 ADAEHO C[C@H]1CCN(CCCCF)[C@H]1C[NH3+] 308131451 572787194 /nfs/dbraw/zinc/78/71/94/572787194.db2.gz DZUNSGQMADKEBS-UWVGGRQHSA-N 1 3 188.290 1.405 10 0 ADAEHO CC(C)[C@H](CN)[NH+]1CC2(CC2)C1 86679796 573559505 /nfs/dbraw/zinc/55/95/05/573559505.db2.gz ILBKLSCMPGKISE-VIFPVBQESA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]([NH3+])CCN1CC2(CCCC2)C1 86678210 573559536 /nfs/dbraw/zinc/55/95/36/573559536.db2.gz WTQLAGUSDYNJJS-SNVBAGLBSA-N 1 3 182.311 1.600 10 0 ADAEHO CC(C)(C)C1C[NH+]([C@@H]2CCC[C@@H]2N)C1 86678329 573559771 /nfs/dbraw/zinc/55/97/71/573559771.db2.gz BVAPHWVSUIHXAU-WDEREUQCSA-N 1 3 196.338 1.844 10 0 ADAEHO CN1CC[C@@H](C2CCCC2)[C@@H]1C[NH3+] 257830569 573559820 /nfs/dbraw/zinc/55/98/20/573559820.db2.gz JHMKWOMIMFRCAY-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H](N)C[NH+]1CC(C(C)(C)C)C1 86678846 573559824 /nfs/dbraw/zinc/55/98/24/573559824.db2.gz AVHILPRTEVSRLC-MRVPVSSYSA-N 1 3 170.300 1.312 10 0 ADAEHO Cc1ccc([C@H](N)CC(C)(C)C[NH3+])o1 259508778 573561094 /nfs/dbraw/zinc/56/10/94/573561094.db2.gz UYOQQJHKVAOJCJ-SECBINFHSA-N 1 3 196.294 1.963 10 0 ADAEHO CC1CN(Cc2ccccc2C[NH3+])C1 86678028 573561124 /nfs/dbraw/zinc/56/11/24/573561124.db2.gz OURVPFHQLOSSBB-UHFFFAOYSA-N 1 3 190.290 1.597 10 0 ADAEHO CC[C@@H]1CCN(CC2CC2)CCC[NH2+]1 49662912 572795058 /nfs/dbraw/zinc/79/50/58/572795058.db2.gz CRBYASQLPMABIB-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]1CC[N@@H+](C(C)(C)C)CCCN1 49662947 572795228 /nfs/dbraw/zinc/79/52/28/572795228.db2.gz UXZVZGOLQSHNDA-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H]1CC[N@H+](C(C)(C)C)CCCN1 49662947 572795230 /nfs/dbraw/zinc/79/52/30/572795230.db2.gz UXZVZGOLQSHNDA-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+](CC(C)C)CCN1 49661519 572795244 /nfs/dbraw/zinc/79/52/44/572795244.db2.gz HWVUZQNJZRMBCV-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CC(C)C)CCN1 49661519 572795245 /nfs/dbraw/zinc/79/52/45/572795245.db2.gz HWVUZQNJZRMBCV-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H]1CCN(CC(C)C)CC[NH2+]1 49661519 572795248 /nfs/dbraw/zinc/79/52/48/572795248.db2.gz HWVUZQNJZRMBCV-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H]1CC[N@H+](CC2CC2)CC[C@@H](C)N1 49662925 572795260 /nfs/dbraw/zinc/79/52/60/572795260.db2.gz WKQMRJPJWYQVQR-PHIMTYICSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CC[N@@H+](CC2CC2)CC[C@@H](C)N1 49662925 572795261 /nfs/dbraw/zinc/79/52/61/572795261.db2.gz WKQMRJPJWYQVQR-PHIMTYICSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+](CC2CC2)CCN1 49660758 572795311 /nfs/dbraw/zinc/79/53/11/572795311.db2.gz ZXVDWRDMDAZJCS-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H]1CC[N@@H+](CC2CC2)CCN1 49660758 572795314 /nfs/dbraw/zinc/79/53/14/572795314.db2.gz ZXVDWRDMDAZJCS-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H](C)CNC[C@@H](C)C1 49663052 572795382 /nfs/dbraw/zinc/79/53/82/572795382.db2.gz OIBAMSXGGIGUHE-PHIMTYICSA-N 1 3 184.327 1.572 10 0 ADAEHO CC(C)[N@H+]1C[C@@H](C)CNC[C@@H](C)C1 49663052 572795384 /nfs/dbraw/zinc/79/53/84/572795384.db2.gz OIBAMSXGGIGUHE-PHIMTYICSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H]1CNC[C@H](C)C[NH+](CC2CC2)C1 49662937 572795391 /nfs/dbraw/zinc/79/53/91/572795391.db2.gz CYLDQPFAJGZCAE-QWRGUYRKSA-N 1 3 196.338 1.574 10 0 ADAEHO C[C@@H]1CNC[C@@H](C)C[NH+](C(C)(C)C)C1 49662969 572795397 /nfs/dbraw/zinc/79/53/97/572795397.db2.gz BAFINPRJNFAVDM-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1CNCCC[N@@H+](CC2CC2)C1 49662933 572796218 /nfs/dbraw/zinc/79/62/18/572796218.db2.gz MNYOKMOGYFNJAO-SNVBAGLBSA-N 1 3 182.311 1.328 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCC[C@@H]2CN)C1 86679825 573561262 /nfs/dbraw/zinc/56/12/62/573561262.db2.gz UCWUQXUYKCDNBV-GHMZBOCLSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]([NH3+])CCN1CC2(CCCCC2)C1 86678214 573561294 /nfs/dbraw/zinc/56/12/94/573561294.db2.gz DDQIGJHHFWIPCU-LLVKDONJSA-N 1 3 196.338 1.990 10 0 ADAEHO CCC(CC)[N@@H+]1CC[C@H](N)C[C@@H]1C 49709093 572807732 /nfs/dbraw/zinc/80/77/32/572807732.db2.gz KWVGWCNKKDPRMW-UWVGGRQHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)C[N@@H+](C)C[C@H]1CCCN[C@H]1C 308623097 573561830 /nfs/dbraw/zinc/56/18/30/573561830.db2.gz XLXXDBJYBNIRTA-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO N[C@@H](CC1CC1)C[N@@H+]1CCC2(CC2)C1 400038458 572839765 /nfs/dbraw/zinc/83/97/65/572839765.db2.gz LDCOUISGHXIQGD-NSHDSACASA-N 1 3 194.322 1.600 10 0 ADAEHO N[C@@H](CC1CC1)C[N@H+]1CCC2(CC2)C1 400038458 572839768 /nfs/dbraw/zinc/83/97/68/572839768.db2.gz LDCOUISGHXIQGD-NSHDSACASA-N 1 3 194.322 1.600 10 0 ADAEHO C[C@@H](N)[C@@H]1CCCC[N@H+](C)C1 107399570 573561710 /nfs/dbraw/zinc/56/17/10/573561710.db2.gz IGVUGHFXTUWLRQ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](N)[C@@H]1CCCC[N@@H+](C)C1 107399570 573561713 /nfs/dbraw/zinc/56/17/13/573561713.db2.gz IGVUGHFXTUWLRQ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H]([NH3+])[C@@H]1CCCCN(C)C1 107399570 573561716 /nfs/dbraw/zinc/56/17/16/573561716.db2.gz IGVUGHFXTUWLRQ-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CCC1CN(CC[C@@H](C)[NH3+])C1 86678193 573561753 /nfs/dbraw/zinc/56/17/53/573561753.db2.gz KFMZPHSNKVAUSR-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)C[N@H+](C)C[C@H]1CCCN[C@H]1C 308623097 573561823 /nfs/dbraw/zinc/56/18/23/573561823.db2.gz XLXXDBJYBNIRTA-NWDGAFQWSA-N 1 3 198.354 1.962 10 0 ADAEHO CC(C)C1C[NH+]([C@H]2CCC[C@H]2CN)C1 86679875 573562820 /nfs/dbraw/zinc/56/28/20/573562820.db2.gz PEFDYHYQMMZSQE-JQWIXIFHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)(C)C1C[NH+]([C@H]2CCC[C@@H]2N)C1 86678331 573562854 /nfs/dbraw/zinc/56/28/54/573562854.db2.gz BVAPHWVSUIHXAU-QWRGUYRKSA-N 1 3 196.338 1.844 10 0 ADAEHO CC(C)C1CN(C2(C[NH3+])CCCC2)C1 86679175 573562894 /nfs/dbraw/zinc/56/28/94/573562894.db2.gz JWXKNVCZDJOJLU-UHFFFAOYSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H](C[NH+]1C[C@@H](C)[C@H](C)C1)NC 86009120 572843885 /nfs/dbraw/zinc/84/38/85/572843885.db2.gz RFLIIHFCMZJJBT-GMTAPVOTSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009528 572844079 /nfs/dbraw/zinc/84/40/79/572844079.db2.gz IJNGXQOUYOOQJT-KXNHARMFSA-N 1 3 198.354 1.961 10 0 ADAEHO CCN[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009528 572844083 /nfs/dbraw/zinc/84/40/83/572844083.db2.gz IJNGXQOUYOOQJT-KXNHARMFSA-N 1 3 198.354 1.961 10 0 ADAEHO CC[C@H](CN)[N@H+](C)CCOC(C)C 87976374 572844561 /nfs/dbraw/zinc/84/45/61/572844561.db2.gz SAQSUBUOYYQMHI-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H](CN)[N@@H+](C)CCOC(C)C 87976374 572844566 /nfs/dbraw/zinc/84/45/66/572844566.db2.gz SAQSUBUOYYQMHI-SNVBAGLBSA-N 1 3 188.315 1.081 10 0 ADAEHO C[C@H]([NH3+])[C@@H](C)CNCCC(F)F 308149571 572844646 /nfs/dbraw/zinc/84/46/46/572844646.db2.gz MBKNSHXMCKBBLK-BQBZGAKWSA-N 1 3 180.242 1.215 10 0 ADAEHO CN1CCC(F)(C(C)(C)C[NH3+])CC1 257831385 573563609 /nfs/dbraw/zinc/56/36/09/573563609.db2.gz JJGXMQUTROJKGB-UHFFFAOYSA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H]([NH3+])CCN1CC2(CCCC2)C1 86678208 573563723 /nfs/dbraw/zinc/56/37/23/573563723.db2.gz WTQLAGUSDYNJJS-JTQLQIEISA-N 1 3 182.311 1.600 10 0 ADAEHO CC[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1N 77264089 572867422 /nfs/dbraw/zinc/86/74/22/572867422.db2.gz OXXJEJAUQFXXFH-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[C@@H]1CC[N@H+](C(C)C)C[C@@H]1N 77264089 572867425 /nfs/dbraw/zinc/86/74/25/572867425.db2.gz OXXJEJAUQFXXFH-ZJUUUORDSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](CC(N)=[NH2+])N(C)CCCCF 308162619 572892132 /nfs/dbraw/zinc/89/21/32/572892132.db2.gz XSHDOZALWKCTFC-QMMMGPOBSA-N 1 3 189.278 1.382 10 0 ADAEHO CCCCC[NH2+]CC1(CN)CCC1 258778977 573568207 /nfs/dbraw/zinc/56/82/07/573568207.db2.gz ZPCXHYIWCZUGOE-UHFFFAOYSA-N 1 3 184.327 1.895 10 0 ADAEHO C[C@H](C[NH3+])CN1CC2(CCCCC2)C1 86682153 573569713 /nfs/dbraw/zinc/56/97/13/573569713.db2.gz KYXWYJLTHGTHQR-LLVKDONJSA-N 1 3 196.338 1.847 10 0 ADAEHO CC(C)CCN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272809 572903626 /nfs/dbraw/zinc/90/36/26/572903626.db2.gz BTONQFJCRLRXTA-NEPJUHHUSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)CC1CC1 86272689 572903712 /nfs/dbraw/zinc/90/37/12/572903712.db2.gz RPQWAWRESUTCKR-MWLCHTKSSA-N 1 3 182.311 1.326 10 0 ADAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)CC1CCC1 86273086 572903750 /nfs/dbraw/zinc/90/37/50/572903750.db2.gz MPILFPHDUUHJLR-JQWIXIFHSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(C[C@@H]1CC[NH2+][C@@H]1C)C(C)C 86272563 572903776 /nfs/dbraw/zinc/90/37/76/572903776.db2.gz ARHPJGKGSQSURM-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CCN(CC)C[C@H]1CC[NH2+][C@H]1C 86272457 572903834 /nfs/dbraw/zinc/90/38/34/572903834.db2.gz XSJFOYBHPQZIKY-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CCCN(C)C[C@H]1CC[NH2+][C@@H]1C 86272578 572903903 /nfs/dbraw/zinc/90/39/03/572903903.db2.gz UVGAXDUIACQTOL-NXEZZACHSA-N 1 3 170.300 1.326 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@H+](C)CC1CCC1 86312369 572912371 /nfs/dbraw/zinc/91/23/71/572912371.db2.gz DVXPGJRBIHYVIZ-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@@H](C)[C@@H](C)[N@@H+](C)CC1CCC1 86312369 572912375 /nfs/dbraw/zinc/91/23/75/572912375.db2.gz DVXPGJRBIHYVIZ-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)[C@H](C)N(C)C 86311354 572912381 /nfs/dbraw/zinc/91/23/81/572912381.db2.gz PYUVFNMKBXNEBL-IUCAKERBSA-N 1 3 170.300 1.325 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CC(C)C1 86682202 573569783 /nfs/dbraw/zinc/56/97/83/573569783.db2.gz PBXOTVONHFIQIR-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H](CCN)[NH+]1CC(C)C1 86682202 573569789 /nfs/dbraw/zinc/56/97/89/573569789.db2.gz PBXOTVONHFIQIR-VIFPVBQESA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@H+](C(C)C)[C@H](C)[C@@H](C)CN 86311525 572913538 /nfs/dbraw/zinc/91/35/38/572913538.db2.gz ZLJDQCMCUCGWAS-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)CN 86311525 572913541 /nfs/dbraw/zinc/91/35/41/572913541.db2.gz ZLJDQCMCUCGWAS-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)CC1CC1 86311915 572913549 /nfs/dbraw/zinc/91/35/49/572913549.db2.gz VRAZUTQDYICTCV-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)CC1CC1 86311915 572913550 /nfs/dbraw/zinc/91/35/50/572913550.db2.gz VRAZUTQDYICTCV-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)CNC 86311433 572913564 /nfs/dbraw/zinc/91/35/64/572913564.db2.gz KEXVVJWSOKFKDN-DCAQKATOSA-N 1 3 186.343 1.961 10 0 ADAEHO CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)CNC 86311433 572913567 /nfs/dbraw/zinc/91/35/67/572913567.db2.gz KEXVVJWSOKFKDN-DCAQKATOSA-N 1 3 186.343 1.961 10 0 ADAEHO CCC[C@H](C[C@@H]1CCC[NH2+]1)NC 259513487 573572940 /nfs/dbraw/zinc/57/29/40/573572940.db2.gz SVIVNWRIVVBPEA-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO C[C@@H]([NH3+])c1ccc(F)c(CN)c1 257832638 573572971 /nfs/dbraw/zinc/57/29/71/573572971.db2.gz ACJDHOXXCXWKLE-ZCFIWIBFSA-N 1 3 168.215 1.304 10 0 ADAEHO C[C@H]([NH3+])c1ccc(F)c(CN)c1 257832634 573573072 /nfs/dbraw/zinc/57/30/72/573573072.db2.gz ACJDHOXXCXWKLE-LURJTMIESA-N 1 3 168.215 1.304 10 0 ADAEHO [NH3+][C@H](C1CCCC1)[C@@H]1CCCCN1 259513204 573573125 /nfs/dbraw/zinc/57/31/25/573573125.db2.gz VGRDMQASZJHARB-WDEREUQCSA-N 1 3 182.311 1.646 10 0 ADAEHO CC[N@H+](C[C@@H](C)CN)CC(C)(C)C 308188864 572917113 /nfs/dbraw/zinc/91/71/13/572917113.db2.gz HQWGKTDRYLWUTR-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO CC[N@@H+](C[C@@H](C)CN)CC(C)(C)C 308188864 572917116 /nfs/dbraw/zinc/91/71/16/572917116.db2.gz HQWGKTDRYLWUTR-JTQLQIEISA-N 1 3 186.343 1.949 10 0 ADAEHO C1CCN2C[C@H]3CCC[NH2+][C@H]3[C@@H]2C1 257641489 572917145 /nfs/dbraw/zinc/91/71/45/572917145.db2.gz HVHKVSMTGDALPW-OUAUKWLOSA-N 1 3 180.295 1.223 10 0 ADAEHO CCCCC[NH2+][C@@H]1CC[C@H](N)C1 86397000 572930190 /nfs/dbraw/zinc/93/01/90/572930190.db2.gz CKEPDPSYRWPTAJ-VHSXEESVSA-N 1 3 170.300 1.646 10 0 ADAEHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86399761 572931026 /nfs/dbraw/zinc/93/10/26/572931026.db2.gz PVPQGOBGMDWXLI-XWLWVQCSSA-N 1 3 184.327 1.890 10 0 ADAEHO N[C@@H]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 86397821 572931044 /nfs/dbraw/zinc/93/10/44/572931044.db2.gz DYTCGIGNTNKJBI-GHMZBOCLSA-N 1 3 194.322 1.644 10 0 ADAEHO C=COCCC[NH2+][C@H]1CCC[C@@H](N)C1 86402467 572931064 /nfs/dbraw/zinc/93/10/64/572931064.db2.gz DIWKCAHQSYQFJE-MNOVXSKESA-N 1 3 198.310 1.396 10 0 ADAEHO CC[N@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86432915 572937629 /nfs/dbraw/zinc/93/76/29/572937629.db2.gz JCDMIDHZVPXZGH-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@@H]1CC[C@H](N)C1 86432915 572937633 /nfs/dbraw/zinc/93/76/33/572937633.db2.gz JCDMIDHZVPXZGH-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](CCN(C)C)NC1=[NH+]CCC1 86455120 572941464 /nfs/dbraw/zinc/94/14/64/572941464.db2.gz BOEALLDEDHLNPK-SECBINFHSA-N 1 3 183.299 1.109 10 0 ADAEHO CCOC[C@H]([NH3+])CCN(CC)CC 86526891 572947937 /nfs/dbraw/zinc/94/79/37/572947937.db2.gz XGNOFQUTXJEYEG-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO C[N@@H+]1CCC[C@@H]([C@](C)(F)CN)C1 257833006 573576866 /nfs/dbraw/zinc/57/68/66/573576866.db2.gz KGTBXLFNIIEYPT-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@@H]([C@](C)(F)CN)C1 257833006 573576870 /nfs/dbraw/zinc/57/68/70/573576870.db2.gz KGTBXLFNIIEYPT-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](N)C(C)C 259519584 573585490 /nfs/dbraw/zinc/58/54/90/573585490.db2.gz SCCBWIKOWJSADL-BDAKNGLRSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@H](CNC)[C@@H]([NH3+])C(C)C 259519584 573585502 /nfs/dbraw/zinc/58/55/02/573585502.db2.gz SCCBWIKOWJSADL-BDAKNGLRSA-N 1 3 158.289 1.215 10 0 ADAEHO CCC[NH2+][C@H]1CC[C@H](N(C)CC)C1 86618668 572966733 /nfs/dbraw/zinc/96/67/33/572966733.db2.gz ZSSXHRTYYCBRPZ-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CC[C@H](NC)C1 86619570 572966751 /nfs/dbraw/zinc/96/67/51/572966751.db2.gz MQQXGLZIQUSQTG-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CC[C@H](NC)C1 86619570 572966752 /nfs/dbraw/zinc/96/67/52/572966752.db2.gz MQQXGLZIQUSQTG-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C1CC1)[C@@H]1CC[C@H]([NH2+]C)C1 86618677 572966785 /nfs/dbraw/zinc/96/67/85/572966785.db2.gz CNMQHOKLVKMPQQ-GXSJLCMTSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@H+](C)CC2CCC2)C1 86619287 572966791 /nfs/dbraw/zinc/96/67/91/572966791.db2.gz FRJPTBFMKOGUNT-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@@H]1CC[C@H]([N@@H+](C)CC2CCC2)C1 86619287 572966793 /nfs/dbraw/zinc/96/67/93/572966793.db2.gz FRJPTBFMKOGUNT-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N(C)C2CC2)C1 86618703 572966802 /nfs/dbraw/zinc/96/68/02/572966802.db2.gz BAYSLGPFKQHYPZ-MWLCHTKSSA-N 1 3 182.311 1.611 10 0 ADAEHO CCC[N@H+](CC)[C@@H]1CC[C@H](NC)C1 86618733 572966816 /nfs/dbraw/zinc/96/68/16/572966816.db2.gz SWRAONHKLMHYNS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[N@@H+](CC)[C@@H]1CC[C@H](NC)C1 86618733 572966818 /nfs/dbraw/zinc/96/68/18/572966818.db2.gz SWRAONHKLMHYNS-WDEREUQCSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[NH2+][C@@H]1CC[C@@H](N(C)CC)C1 86618669 572966847 /nfs/dbraw/zinc/96/68/47/572966847.db2.gz ZSSXHRTYYCBRPZ-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@@H](c1ccc(C[NH3+])[nH]1)N(C)C 258526217 572998943 /nfs/dbraw/zinc/99/89/43/572998943.db2.gz MVRRRDBVUUXZNB-ZETCQYMHSA-N 1 3 167.256 1.096 10 0 ADAEHO CCC(CC)[C@H](C)[NH2+][C@@H]1CCNC1 86730174 572974889 /nfs/dbraw/zinc/97/48/89/572974889.db2.gz NHEYRGIWGQDHHC-GXSJLCMTSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@H](CC1CC1)[NH2+][C@@H]1CCNC1 86730242 572974894 /nfs/dbraw/zinc/97/48/94/572974894.db2.gz CHHBPBIPMIMNNJ-GHMZBOCLSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@@H](CC1CC1)[NH2+][C@H]1CCNC1 86730244 572974934 /nfs/dbraw/zinc/97/49/34/572974934.db2.gz CHHBPBIPMIMNNJ-QWRGUYRKSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[C@H](C[C@H]1CCC[NH2+]1)NC 259594135 572998698 /nfs/dbraw/zinc/99/86/98/572998698.db2.gz XXETZPYIQFPRKT-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CC[N@@H+]1CCC[C@H](CN)[C@H]1C(C)C 82392975 573587161 /nfs/dbraw/zinc/58/71/61/573587161.db2.gz UHECITFFAGYLTQ-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+]1CCC[C@H](CN)[C@H]1C(C)C 82392975 573587168 /nfs/dbraw/zinc/58/71/68/573587168.db2.gz UHECITFFAGYLTQ-GHMZBOCLSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C(C)(C)C1CC1 235680785 572999872 /nfs/dbraw/zinc/99/98/72/572999872.db2.gz BQEZRPYKYXTYLP-ONGXEEELSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C(C)(C)C1CC1 235680785 572999876 /nfs/dbraw/zinc/99/98/76/572999876.db2.gz BQEZRPYKYXTYLP-ONGXEEELSA-N 1 3 196.338 1.987 10 0 ADAEHO NC[C@H]1CC[C@H]1[NH+]1CCCCCCC1 87921842 573000177 /nfs/dbraw/zinc/00/01/77/573000177.db2.gz VSIWCDKLWQZWBF-VXGBXAGGSA-N 1 3 196.338 1.990 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@@H]1CC[C@@H]1CN 87923094 573000264 /nfs/dbraw/zinc/00/02/64/573000264.db2.gz CSQHULQPTGCSTM-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@@H]1CC[C@@H]1CN 87923094 573000269 /nfs/dbraw/zinc/00/02/69/573000269.db2.gz CSQHULQPTGCSTM-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@](F)(CN)C[C@H]1CCC[NH2+]C1 257923660 573000306 /nfs/dbraw/zinc/00/03/06/573000306.db2.gz RUGXCQULWBZNTB-RKDXNWHRSA-N 1 3 174.263 1.063 10 0 ADAEHO C[C@H]([NH3+])CCNCCc1ccco1 42594401 573010191 /nfs/dbraw/zinc/01/01/91/573010191.db2.gz WCAMAFOZWSFPPW-VIFPVBQESA-N 1 3 182.267 1.149 10 0 ADAEHO NCc1cc(C[NH2+]C2CCC2)ccn1 130452009 573587224 /nfs/dbraw/zinc/58/72/24/573587224.db2.gz ZTKARGPUKCXHBU-UHFFFAOYSA-N 1 3 191.278 1.182 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](N)C(C)C 259519585 573588263 /nfs/dbraw/zinc/58/82/63/573588263.db2.gz SCCBWIKOWJSADL-DTWKUNHWSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@@H](CNC)[C@H]([NH3+])C(C)C 259519585 573588268 /nfs/dbraw/zinc/58/82/68/573588268.db2.gz SCCBWIKOWJSADL-DTWKUNHWSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@](C)(CN)C[NH2+]CC(C)C 128477910 573023562 /nfs/dbraw/zinc/02/35/62/573023562.db2.gz RTHTVGKOFPYTES-SNVBAGLBSA-N 1 3 172.316 1.607 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438408 573024751 /nfs/dbraw/zinc/02/47/51/573024751.db2.gz XFNPKFKICDZHEC-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438408 573024755 /nfs/dbraw/zinc/02/47/55/573024755.db2.gz XFNPKFKICDZHEC-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO NC[C@H](C[NH2+]C1CCC1)C1CCC1 258229246 573024770 /nfs/dbraw/zinc/02/47/70/573024770.db2.gz KVMSOVOCFGVWQF-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO CCC(CC)C[NH2+]C[C@@H](CC)CN 130463050 573591462 /nfs/dbraw/zinc/59/14/62/573591462.db2.gz POSVPMPAPIDQEM-NSHDSACASA-N 1 3 186.343 1.997 10 0 ADAEHO CC[C@@](C)(CN)C[NH2+]C1CCCC1 128478134 573028579 /nfs/dbraw/zinc/02/85/79/573028579.db2.gz BUAVHAJVCAHRHD-NSHDSACASA-N 1 3 184.327 1.894 10 0 ADAEHO CCc1ccc([C@H](N)[C@@H](C)C[NH3+])cc1 259314151 573028939 /nfs/dbraw/zinc/02/89/39/573028939.db2.gz KOWFDFVCYSLWKP-JOYOIKCWSA-N 1 3 192.306 1.844 10 0 ADAEHO CC1(C)C[C@H](N)[C@H]([NH3+])C(C)(C)C1 238248265 573029089 /nfs/dbraw/zinc/02/90/89/573029089.db2.gz PDGZSEPWDXNGJA-YUMQZZPRSA-N 1 3 170.300 1.487 10 0 ADAEHO C[C@@H]1C[C@]1(C)CN1CCC(C)([NH3+])CC1 714620354 573031689 /nfs/dbraw/zinc/03/16/89/573031689.db2.gz JIMCGLWMRCFVKS-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1C[C@]1(C)C[NH+]1CCC(C)(N)CC1 714620354 573031693 /nfs/dbraw/zinc/03/16/93/573031693.db2.gz JIMCGLWMRCFVKS-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CCOCCN(C)[C@@H](CC)CC[NH3+] 87976296 573031771 /nfs/dbraw/zinc/03/17/71/573031771.db2.gz XCPPPVCZXAIAQI-JTQLQIEISA-N 1 3 188.315 1.082 10 0 ADAEHO N[C@@H](c1ccccn1)C1CC[NH2+]CC1 259135977 573592037 /nfs/dbraw/zinc/59/20/37/573592037.db2.gz CQOIUQQAUNVLLP-LLVKDONJSA-N 1 3 191.278 1.081 10 0 ADAEHO C[C@H]1CNCCC[N@H+](CC2(C)CC2)C1 235697791 573050860 /nfs/dbraw/zinc/05/08/60/573050860.db2.gz UXQWNJSPBQWVSQ-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](CC2(C)CC2)C1 235697791 573050866 /nfs/dbraw/zinc/05/08/66/573050866.db2.gz UXQWNJSPBQWVSQ-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2CN)C1 40717053 573051736 /nfs/dbraw/zinc/05/17/36/573051736.db2.gz WDXJFAZSADTWEZ-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2CN)C1 40717053 573051740 /nfs/dbraw/zinc/05/17/40/573051740.db2.gz WDXJFAZSADTWEZ-QJPTWQEYSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CCCN1CC1([NH3+])CCC1 88051813 573058354 /nfs/dbraw/zinc/05/83/54/573058354.db2.gz QTKXRDOGWRQCFQ-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@@H]1CC1(N)CC1 257937542 573052118 /nfs/dbraw/zinc/05/21/18/573052118.db2.gz HOTKCUVYBFAEGA-SNVBAGLBSA-N 1 3 182.311 1.741 10 0 ADAEHO CC(C)[N@H+]1CCC[C@@H]1CC1(N)CC1 257937542 573052124 /nfs/dbraw/zinc/05/21/24/573052124.db2.gz HOTKCUVYBFAEGA-SNVBAGLBSA-N 1 3 182.311 1.741 10 0 ADAEHO C[C@H](N)[C@H](C)C[NH2+][C@@H]1C[C@H]1C1CC1 717081079 573052193 /nfs/dbraw/zinc/05/21/93/573052193.db2.gz SRPLGPXFPXMDJI-YKDSUIRESA-N 1 3 182.311 1.358 10 0 ADAEHO C[N@@H+]1CCC[C@]2(CCN[C@H]2CF)C1 257938694 573057810 /nfs/dbraw/zinc/05/78/10/573057810.db2.gz URBRSXHOMNDPNQ-UWVGGRQHSA-N 1 3 186.274 1.030 10 0 ADAEHO C[N@H+]1CCC[C@]2(CCN[C@H]2CF)C1 257938694 573057817 /nfs/dbraw/zinc/05/78/17/573057817.db2.gz URBRSXHOMNDPNQ-UWVGGRQHSA-N 1 3 186.274 1.030 10 0 ADAEHO CC1(C)C(NCC2([NH3+])CCC2)C1(C)C 88052310 573057916 /nfs/dbraw/zinc/05/79/16/573057916.db2.gz ZFSPLLPQOYXSOB-UHFFFAOYSA-N 1 3 196.338 1.892 10 0 ADAEHO NCc1cc2cc(C[NH3+])ccc2s1 257938938 573058018 /nfs/dbraw/zinc/05/80/18/573058018.db2.gz FWLHGNCKFQXBFY-UHFFFAOYSA-N 1 3 192.287 1.819 10 0 ADAEHO C[N@@H+]1CCC[C@@]2(CCN[C@H]2CF)C1 257938696 573058100 /nfs/dbraw/zinc/05/81/00/573058100.db2.gz URBRSXHOMNDPNQ-VHSXEESVSA-N 1 3 186.274 1.030 10 0 ADAEHO C[N@H+]1CCC[C@@]2(CCN[C@H]2CF)C1 257938696 573058107 /nfs/dbraw/zinc/05/81/07/573058107.db2.gz URBRSXHOMNDPNQ-VHSXEESVSA-N 1 3 186.274 1.030 10 0 ADAEHO CN1CCC[C@H](C(=O)CC(C)(C)[NH3+])C1 259136341 573595120 /nfs/dbraw/zinc/59/51/20/573595120.db2.gz JWEQPZZKIXAIEF-VIFPVBQESA-N 1 3 198.310 1.025 10 0 ADAEHO C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCNC1 86730758 573595231 /nfs/dbraw/zinc/59/52/31/573595231.db2.gz OCQZWORXDKWFDR-IJLUTSLNSA-N 1 3 196.338 1.907 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)C(C)C 128543773 573063023 /nfs/dbraw/zinc/06/30/23/573063023.db2.gz PJUCEVUXOMQIOO-SNVBAGLBSA-N 1 3 172.316 1.844 10 0 ADAEHO N[C@@H]1CCCCC[C@@H]1[NH+]1CC=CC1 114457117 573081437 /nfs/dbraw/zinc/08/14/37/573081437.db2.gz YPLZMGBPIXYDBU-MNOVXSKESA-N 1 3 180.295 1.518 10 0 ADAEHO C1NC2(C[NH2+][C@H]3C[C@H]3C3CC3)CC1C2 717108383 573088175 /nfs/dbraw/zinc/08/81/75/573088175.db2.gz JULWRXUORRAPKQ-LEIKUXQJSA-N 1 3 192.306 1.127 10 0 ADAEHO CN1CC[C@](F)(C(C)(C)C[NH3+])C1 257943282 573091192 /nfs/dbraw/zinc/09/11/92/573091192.db2.gz VGIOBECWAILZNA-SECBINFHSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@H](N)c1cnc([C@@H]2CC[NH2+]C2)s1 258234011 573091318 /nfs/dbraw/zinc/09/13/18/573091318.db2.gz VTLWOCWLKQRJKV-NKWVEPMBSA-N 1 3 197.307 1.240 10 0 ADAEHO CN[C@@H](CC[C@H](C)[NH3+])c1ccc(C)o1 259324460 573091414 /nfs/dbraw/zinc/09/14/14/573091414.db2.gz JUGCDZHNXLZRJA-WPRPVWTQSA-N 1 3 196.294 1.976 10 0 ADAEHO CC[N@H+](CC1CC1)[C@H]1CC[C@@H](N)C1 223182561 573092559 /nfs/dbraw/zinc/09/25/59/573092559.db2.gz JCDMIDHZVPXZGH-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO CC[N@@H+](CC1CC1)[C@H]1CC[C@@H](N)C1 223182561 573092569 /nfs/dbraw/zinc/09/25/69/573092569.db2.gz JCDMIDHZVPXZGH-MNOVXSKESA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@@]1(C)C1CCCC1 107187086 573092759 /nfs/dbraw/zinc/09/27/59/573092759.db2.gz IZWWBYSNVHCJJL-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@@]1(C)C1CCCC1 107187086 573092761 /nfs/dbraw/zinc/09/27/61/573092761.db2.gz IZWWBYSNVHCJJL-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CN[C@@H](C[C@@H](C)[NH3+])c1ccccc1C 259524380 573597883 /nfs/dbraw/zinc/59/78/83/573597883.db2.gz SISKTYDFMNWOAO-PWSUYJOCSA-N 1 3 192.306 1.993 10 0 ADAEHO CCN(C)C[C@H](C[NH2+]C)C(C)C 259139586 573597915 /nfs/dbraw/zinc/59/79/15/573597915.db2.gz ZNOUOHSPLKHRNG-JTQLQIEISA-N 1 3 172.316 1.430 10 0 ADAEHO CN[C@H](C)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 131899807 573103291 /nfs/dbraw/zinc/10/32/91/573103291.db2.gz DSRQQBBDAIKCGO-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 131899807 573103295 /nfs/dbraw/zinc/10/32/95/573103295.db2.gz DSRQQBBDAIKCGO-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@H](C)CCN1CC[C@@H](C)[C@@H](C)C1 131899807 573103302 /nfs/dbraw/zinc/10/33/02/573103302.db2.gz DSRQQBBDAIKCGO-GRYCIOLGSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H]([NH3+])C(N)(CC)CC 104638004 573103337 /nfs/dbraw/zinc/10/33/37/573103337.db2.gz GRPQIEHRGUMHPJ-ZETCQYMHSA-N 1 3 144.262 1.241 10 0 ADAEHO NC[C@H]1CCCC[C@@H]1[NH+]1CC=CC1 114685845 573106899 /nfs/dbraw/zinc/10/68/99/573106899.db2.gz KTMMKVDITPTALL-MNOVXSKESA-N 1 3 180.295 1.376 10 0 ADAEHO CC(C)[C@H]([NH3+])C1(CN)CCC1 259328622 573106936 /nfs/dbraw/zinc/10/69/36/573106936.db2.gz JABJMIAKMCQDCB-QMMMGPOBSA-N 1 3 156.273 1.099 10 0 ADAEHO NC[C@H]1CCCC[C@H]1[NH+]1CC=CC1 114685847 573106952 /nfs/dbraw/zinc/10/69/52/573106952.db2.gz KTMMKVDITPTALL-GHMZBOCLSA-N 1 3 180.295 1.376 10 0 ADAEHO C[C@H](N)C(C)(C)C[NH+]1CCCC1 85678053 573115226 /nfs/dbraw/zinc/11/52/26/573115226.db2.gz KZMNKHGIWBPJMB-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC1(C)C[C@H]1NCCC[NH2+]CC1CC1 717136946 573119908 /nfs/dbraw/zinc/11/99/08/573119908.db2.gz GZRYFEQHFACNDH-LLVKDONJSA-N 1 3 196.338 1.764 10 0 ADAEHO C[C@H](N)c1coc([C@H]2CCC[NH2+]C2)n1 258233842 573120695 /nfs/dbraw/zinc/12/06/95/573120695.db2.gz VSRVKGBGRBONDX-YUMQZZPRSA-N 1 3 195.266 1.161 10 0 ADAEHO C[C@@H](N)c1coc([C@@H]2CCC[NH2+]C2)n1 258233828 573122425 /nfs/dbraw/zinc/12/24/25/573122425.db2.gz VSRVKGBGRBONDX-HTQZYQBOSA-N 1 3 195.266 1.161 10 0 ADAEHO CC[C@H]1[C@@H](CN)CCCC[N@@H+]1CC 238283627 573134996 /nfs/dbraw/zinc/13/49/96/573134996.db2.gz OCRGXHDBMAYJRN-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]1[C@@H](CN)CCCC[N@H+]1CC 238283627 573135000 /nfs/dbraw/zinc/13/50/00/573135000.db2.gz OCRGXHDBMAYJRN-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H]1C[C@](C)(CC)[NH2+]CCN1 238283956 573135053 /nfs/dbraw/zinc/13/50/53/573135053.db2.gz CXWAGZQSXAGBGN-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CC[C@@H]1C[C@](C)(CC)NCC[NH2+]1 238283956 573135059 /nfs/dbraw/zinc/13/50/59/573135059.db2.gz CXWAGZQSXAGBGN-ZJUUUORDSA-N 1 3 170.300 1.517 10 0 ADAEHO CN(C1CC1)[C@@H]1CCC[NH2+]CC1 82666649 573150965 /nfs/dbraw/zinc/15/09/65/573150965.db2.gz ICMNYEPURYCZRG-SECBINFHSA-N 1 3 168.284 1.223 10 0 ADAEHO CC(C)=C[C@@H]([NH3+])[C@@H]1CCCN(C)C1 642850430 573137723 /nfs/dbraw/zinc/13/77/23/573137723.db2.gz FBQGAQVLPPCDEY-GHMZBOCLSA-N 1 3 182.311 1.622 10 0 ADAEHO CC(C)=C[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 642850430 573137730 /nfs/dbraw/zinc/13/77/30/573137730.db2.gz FBQGAQVLPPCDEY-GHMZBOCLSA-N 1 3 182.311 1.622 10 0 ADAEHO CC(C)=C[C@@H](N)[C@@H]1CCC[N@H+](C)C1 642850430 573137731 /nfs/dbraw/zinc/13/77/31/573137731.db2.gz FBQGAQVLPPCDEY-GHMZBOCLSA-N 1 3 182.311 1.622 10 0 ADAEHO CN1CC[C@@H](C2CCC2)[C@H]1C[NH3+] 258550662 573151051 /nfs/dbraw/zinc/15/10/51/573151051.db2.gz PIANTZSQXYYTFC-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1C[C@H](CN)C[C@H]1C 308504069 573151070 /nfs/dbraw/zinc/15/10/70/573151070.db2.gz CNGRGJFDQJGNQB-UTUOFQBUSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1C[C@H](CN)C[C@H]1C 308504069 573151073 /nfs/dbraw/zinc/15/10/73/573151073.db2.gz CNGRGJFDQJGNQB-UTUOFQBUSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H](N)[C@H]1CCC[N@@H+](C2CCCC2)C1 82645511 573146914 /nfs/dbraw/zinc/14/69/14/573146914.db2.gz MWYQJXYVPDQRNH-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@H]1CCC[N@H+](C2CCCC2)C1 82645511 573146920 /nfs/dbraw/zinc/14/69/20/573146920.db2.gz MWYQJXYVPDQRNH-MNOVXSKESA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@@H]1CCC[N@@H+](C2CCCC2)C1 82645509 573147477 /nfs/dbraw/zinc/14/74/77/573147477.db2.gz MWYQJXYVPDQRNH-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)[C@@H]1CCC[N@H+](C2CCCC2)C1 82645509 573147481 /nfs/dbraw/zinc/14/74/81/573147481.db2.gz MWYQJXYVPDQRNH-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@H](N)[C@@H]1CCC[N@H+](C2CCCC2)C1 82645508 573147515 /nfs/dbraw/zinc/14/75/15/573147515.db2.gz MWYQJXYVPDQRNH-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 308504067 573151094 /nfs/dbraw/zinc/15/10/94/573151094.db2.gz CNGRGJFDQJGNQB-GRYCIOLGSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1C[C@@H](CN)C[C@@H]1C 308504067 573151101 /nfs/dbraw/zinc/15/11/01/573151101.db2.gz CNGRGJFDQJGNQB-GRYCIOLGSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1CCC[N@H+](CCC(C)(C)N)C1 82772826 573183362 /nfs/dbraw/zinc/18/33/62/573183362.db2.gz SPPUNFSLTYHXMP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCC[N@@H+](CCC(C)(C)N)C1 82772826 573183375 /nfs/dbraw/zinc/18/33/75/573183375.db2.gz SPPUNFSLTYHXMP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@@H]1CCCN(CCC(C)(C)[NH3+])C1 82772826 573183383 /nfs/dbraw/zinc/18/33/83/573183383.db2.gz SPPUNFSLTYHXMP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[N@@H+]1CCCC[C@@H]1CC1(N)CC1 257958820 573161479 /nfs/dbraw/zinc/16/14/79/573161479.db2.gz JDOMEXLTBDHUNM-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[N@H+]1CCCC[C@@H]1CC1(N)CC1 257958820 573161483 /nfs/dbraw/zinc/16/14/83/573161483.db2.gz JDOMEXLTBDHUNM-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CCN1CCCC[C@@H]1CC1([NH3+])CC1 257958820 573161489 /nfs/dbraw/zinc/16/14/89/573161489.db2.gz JDOMEXLTBDHUNM-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CC[C@H](C)[N@H+]1CCCNCC[C@@H]1C 259360018 573183015 /nfs/dbraw/zinc/18/30/15/573183015.db2.gz KFNRJNOBHXIARD-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)=CC[C@H]([NH3+])CN[C@H]1CC12CC2 715586160 573183189 /nfs/dbraw/zinc/18/31/89/573183189.db2.gz WXMIEXWPVGUODJ-QWRGUYRKSA-N 1 3 194.322 1.812 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C2(C)CCCC2)C1 82785590 573195276 /nfs/dbraw/zinc/19/52/76/573195276.db2.gz ODSMUUURUZXKIU-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C2(C)CCCC2)C1 82785590 573195270 /nfs/dbraw/zinc/19/52/70/573195270.db2.gz ODSMUUURUZXKIU-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CN[C@H](C[C@H](C)[NH3+])c1ccc(C)cc1 259603613 573212537 /nfs/dbraw/zinc/21/25/37/573212537.db2.gz XDKWBVSPMMLDHD-CMPLNLGQSA-N 1 3 192.306 1.993 10 0 ADAEHO C[C@@H]1CC(C)(C)C[C@H]([NH3+])[C@H]1CN 256576084 573211814 /nfs/dbraw/zinc/21/18/14/573211814.db2.gz VGYMIFNRDLQBEN-VGMNWLOBSA-N 1 3 170.300 1.345 10 0 ADAEHO CC[N@@H+]1CCC[C@H]1c1oncc1CN 259373025 573211888 /nfs/dbraw/zinc/21/18/88/573211888.db2.gz VOPGKCNVGKNMCJ-VIFPVBQESA-N 1 3 195.266 1.290 10 0 ADAEHO CC[N@H+]1CCC[C@H]1c1oncc1CN 259373025 573211893 /nfs/dbraw/zinc/21/18/93/573211893.db2.gz VOPGKCNVGKNMCJ-VIFPVBQESA-N 1 3 195.266 1.290 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1C[C@H](C)C[C@H]1C 123845776 573212033 /nfs/dbraw/zinc/21/20/33/573212033.db2.gz CWQFHEZVYBBCNS-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](CCN)[N@H+]1C[C@H](C)C[C@H]1C 123845776 573212037 /nfs/dbraw/zinc/21/20/37/573212037.db2.gz CWQFHEZVYBBCNS-KXUCPTDWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@]2(C)NCCO2)C1 258252346 573212071 /nfs/dbraw/zinc/21/20/71/573212071.db2.gz AQBINTFXVVNOKU-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@]2(C)NCCO2)C1 258252346 573212076 /nfs/dbraw/zinc/21/20/76/573212076.db2.gz AQBINTFXVVNOKU-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1C[C@H](C)C[C@@H]1C 123845272 573212099 /nfs/dbraw/zinc/21/20/99/573212099.db2.gz CWQFHEZVYBBCNS-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](CCN)[N@H+]1C[C@H](C)C[C@@H]1C 123845272 573212106 /nfs/dbraw/zinc/21/21/06/573212106.db2.gz CWQFHEZVYBBCNS-UTLUCORTSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](N)c1csc([C@@H]2CCC[NH2+]2)n1 257971658 573212236 /nfs/dbraw/zinc/21/22/36/573212236.db2.gz HALGPAIDCWQZFZ-BQBZGAKWSA-N 1 3 197.307 1.587 10 0 ADAEHO C[C@H](N)c1csc([C@H]2CCC[NH2+]2)n1 257971660 573212471 /nfs/dbraw/zinc/21/24/71/573212471.db2.gz HALGPAIDCWQZFZ-NKWVEPMBSA-N 1 3 197.307 1.587 10 0 ADAEHO CCC([NH3+])(CC)CN[C@@H]1CC12CC2 715670169 573215560 /nfs/dbraw/zinc/21/55/60/573215560.db2.gz ZGMYLNGUACLEHD-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO CCC(N)(CC)C[NH2+][C@@H]1CC12CC2 715670169 573215563 /nfs/dbraw/zinc/21/55/63/573215563.db2.gz ZGMYLNGUACLEHD-SECBINFHSA-N 1 3 182.311 1.646 10 0 ADAEHO CN(C)[C@@H](CCC[NH3+])c1ccncc1 259377975 573215004 /nfs/dbraw/zinc/21/50/04/573215004.db2.gz GMGTYFGZBKSOKK-NSHDSACASA-N 1 3 193.294 1.423 10 0 ADAEHO C[C@H]1C[C@H](N2CC[C@H]([NH3+])C2)CC[C@H]1C 82838462 573223285 /nfs/dbraw/zinc/22/32/85/573223285.db2.gz OTSJBYNORMRUEK-NOOOWODRSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[NH+]1CCC([C@H]2N[C@H](C)CO2)CC1 258487566 573222573 /nfs/dbraw/zinc/22/25/73/573222573.db2.gz LNDCYFABRLYYGA-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO CN1CC[C@H]([NH3+])CC12CCCCC2 238309530 573222764 /nfs/dbraw/zinc/22/27/64/573222764.db2.gz RBEYPFDOISSKMN-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO CNC[C@H](C(C)C)[C@H]([NH2+]C)C(C)C 259382349 573222976 /nfs/dbraw/zinc/22/29/76/573222976.db2.gz VWKJCJGRSLCVMM-GHMZBOCLSA-N 1 3 186.343 1.722 10 0 ADAEHO C[NH2+][C@@H]([C@@H]1CCCNC1)C(C)(C)C 259382846 573223004 /nfs/dbraw/zinc/22/30/04/573223004.db2.gz LZLCTCDVXXSXKQ-ZJUUUORDSA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@H](CNC)C[NH2+]C(C)C 258592773 573223033 /nfs/dbraw/zinc/22/30/33/573223033.db2.gz GNBMOKORMMZYKO-VIFPVBQESA-N 1 3 158.289 1.230 10 0 ADAEHO CCN1CCC[C@H]([C@H]2[NH2+][C@H](C)CO2)C1 258599987 573229216 /nfs/dbraw/zinc/22/92/16/573229216.db2.gz QPEVYHNCUUPAJO-VWYCJHECSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009114 573228616 /nfs/dbraw/zinc/22/86/16/573228616.db2.gz RFLIIHFCMZJJBT-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CC[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)NC 86009114 573228620 /nfs/dbraw/zinc/22/86/20/573228620.db2.gz RFLIIHFCMZJJBT-AXFHLTTASA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H](c1cccc(C)c1)[C@@H](C)C[NH3+] 259386057 573228704 /nfs/dbraw/zinc/22/87/04/573228704.db2.gz LFZRCQZEKCTMIY-JQWIXIFHSA-N 1 3 192.306 1.850 10 0 ADAEHO C[C@@H]1C[N@H+](CC(C)(C)[C@@H](C)N)C[C@@H]1C 86012259 573228801 /nfs/dbraw/zinc/22/88/01/573228801.db2.gz GEBZITFYGQUHHW-OUAUKWLOSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[N@@H+](CC(C)(C)[C@@H](C)N)C[C@@H]1C 86012259 573228808 /nfs/dbraw/zinc/22/88/08/573228808.db2.gz GEBZITFYGQUHHW-OUAUKWLOSA-N 1 3 198.354 1.948 10 0 ADAEHO C[C@@H]1C[NH+]([C@@H]2CCCNCC2)C[C@H]1C 86012628 573228925 /nfs/dbraw/zinc/22/89/25/573228925.db2.gz GUTOQDFTARRMJQ-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+]C[C@@H](CN(C)C1CCC1)C(C)C 259040062 573228987 /nfs/dbraw/zinc/22/89/87/573228987.db2.gz RDLGTCIKAUERNL-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C1CNCC[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)C1 716592095 573229141 /nfs/dbraw/zinc/22/91/41/573229141.db2.gz SOOLMSDJIIENBH-UTUOFQBUSA-N 1 3 194.322 1.517 10 0 ADAEHO C1C[NH2+]CC[C@H](N[C@H]2C[C@@H]2C2CC2)C1 716592095 573229146 /nfs/dbraw/zinc/22/91/46/573229146.db2.gz SOOLMSDJIIENBH-UTUOFQBUSA-N 1 3 194.322 1.517 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](CNC)[C@H]1C 259387603 573236947 /nfs/dbraw/zinc/23/69/47/573236947.db2.gz WRLNGUWWAKYPCH-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](CNC)[C@H]1C 259387603 573236950 /nfs/dbraw/zinc/23/69/50/573236950.db2.gz WRLNGUWWAKYPCH-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[N@@H+]1CCCN[C@H](C(C)(C)C)C1 82855282 573236467 /nfs/dbraw/zinc/23/64/67/573236467.db2.gz SZLWIJJQVIDWIL-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO C[N@H+]1CCCN[C@H](C(C)(C)C)C1 82855282 573236469 /nfs/dbraw/zinc/23/64/69/573236469.db2.gz SZLWIJJQVIDWIL-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO N[C@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 82862925 573244553 /nfs/dbraw/zinc/24/45/53/573244553.db2.gz KKCXKEPOBRLACR-NKWVEPMBSA-N 1 3 196.216 1.395 10 0 ADAEHO CC(C)(C)C[C@H](C[NH3+])CN1CC=CC1 308521679 573244162 /nfs/dbraw/zinc/24/41/62/573244162.db2.gz SXVQJXZLIPSCBO-LLVKDONJSA-N 1 3 196.338 1.869 10 0 ADAEHO C[NH+](C)CCc1cccc2c1CNC2 238315543 573244205 /nfs/dbraw/zinc/24/42/05/573244205.db2.gz XAPGDASPXRBJCI-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO C[NH2+][C@H](C)CCC1=CCCN(C)C1 257983765 573250305 /nfs/dbraw/zinc/25/03/05/573250305.db2.gz HIYRDCLGVSWCMW-SNVBAGLBSA-N 1 3 182.311 1.636 10 0 ADAEHO C[NH2+][C@@H](C)CCC1=CCCN(C)C1 257983763 573250411 /nfs/dbraw/zinc/25/04/11/573250411.db2.gz HIYRDCLGVSWCMW-JTQLQIEISA-N 1 3 182.311 1.636 10 0 ADAEHO CN(C)[C@@H](C1CCCC1)[C@@H]1CC[NH2+]C1 259391659 573250558 /nfs/dbraw/zinc/25/05/58/573250558.db2.gz GZCJPPKTFXSCGG-NEPJUHHUSA-N 1 3 196.338 1.716 10 0 ADAEHO CC[C@@H](C[NH3+])CNCc1ccc[nH]1 259048616 573250586 /nfs/dbraw/zinc/25/05/86/573250586.db2.gz RWGYUMIGCREVAH-VIFPVBQESA-N 1 3 181.283 1.089 10 0 ADAEHO CC(C)[C@H]([NH3+])CCN(C)C1CC1 129209154 573258627 /nfs/dbraw/zinc/25/86/27/573258627.db2.gz JREXRCPQQULEJT-SNVBAGLBSA-N 1 3 170.300 1.454 10 0 ADAEHO CN[C@H](C[C@@H](C)[NH3+])c1ccc[nH]1 259398695 573258163 /nfs/dbraw/zinc/25/81/63/573258163.db2.gz LTEAOORJOWHHND-VXNVDRBHSA-N 1 3 167.256 1.013 10 0 ADAEHO CC(C)[C@@H](N)CC[NH2+]C1CCCC1 129223422 573258204 /nfs/dbraw/zinc/25/82/04/573258204.db2.gz ASVPYARKRMPCBZ-NSHDSACASA-N 1 3 184.327 1.892 10 0 ADAEHO CN[C@@H](C[C@@H](C)[NH3+])c1cc[nH]c1 259398676 573258452 /nfs/dbraw/zinc/25/84/52/573258452.db2.gz LSWCZWYKUBFKPI-APPZFPTMSA-N 1 3 167.256 1.013 10 0 ADAEHO CCC[NH2+]CC[C@H](N)C(C)C 129219722 573259273 /nfs/dbraw/zinc/25/92/73/573259273.db2.gz VEYBGPQZIFCIPG-VIFPVBQESA-N 1 3 158.289 1.359 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[N@@H+]1CC[C@@H](CN)C1 716650944 573258753 /nfs/dbraw/zinc/25/87/53/573258753.db2.gz LYONTJDTAWTKEG-WTPMCQDGSA-N 1 3 194.322 1.312 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[N@H+]1CC[C@@H](CN)C1 716650944 573258757 /nfs/dbraw/zinc/25/87/57/573258757.db2.gz LYONTJDTAWTKEG-WTPMCQDGSA-N 1 3 194.322 1.312 10 0 ADAEHO NC[C@@H](C[NH+]1CCCC1)c1ccco1 258263635 573258850 /nfs/dbraw/zinc/25/88/50/573258850.db2.gz UFCGWZJZZAZEMS-JTQLQIEISA-N 1 3 194.278 1.418 10 0 ADAEHO [NH3+]C[C@@H](CN1CCCC1)c1ccco1 258263635 573258855 /nfs/dbraw/zinc/25/88/55/573258855.db2.gz UFCGWZJZZAZEMS-JTQLQIEISA-N 1 3 194.278 1.418 10 0 ADAEHO C/C=C\CN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 308329709 573258867 /nfs/dbraw/zinc/25/88/67/573258867.db2.gz JTZDKCYMVSUOOQ-UCJPQBOSSA-N 1 3 180.295 1.232 10 0 ADAEHO CN[C@H](C[C@H](C)[NH3+])c1ccc[nH]1 259398694 573259058 /nfs/dbraw/zinc/25/90/58/573259058.db2.gz LTEAOORJOWHHND-IONNQARKSA-N 1 3 167.256 1.013 10 0 ADAEHO CC(C)[NH2+]CC[C@H](N)C(C)C 129220796 573259109 /nfs/dbraw/zinc/25/91/09/573259109.db2.gz NDZMCUSJONTQJF-VIFPVBQESA-N 1 3 158.289 1.358 10 0 ADAEHO CC(C)NCC[C@H]([NH3+])C(C)C 129220796 573259114 /nfs/dbraw/zinc/25/91/14/573259114.db2.gz NDZMCUSJONTQJF-VIFPVBQESA-N 1 3 158.289 1.358 10 0 ADAEHO C/C=C\CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 308329708 573259126 /nfs/dbraw/zinc/25/91/26/573259126.db2.gz JTZDKCYMVSUOOQ-QFSQTOQRSA-N 1 3 180.295 1.232 10 0 ADAEHO NC[C@H](C[NH+]1CCCC1)c1ccco1 258263638 573259167 /nfs/dbraw/zinc/25/91/67/573259167.db2.gz UFCGWZJZZAZEMS-SNVBAGLBSA-N 1 3 194.278 1.418 10 0 ADAEHO [NH3+]C[C@H](CN1CCCC1)c1ccco1 258263638 573259172 /nfs/dbraw/zinc/25/91/72/573259172.db2.gz UFCGWZJZZAZEMS-SNVBAGLBSA-N 1 3 194.278 1.418 10 0 ADAEHO C[C@H](N[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1C[NH2+]C1 716646582 573263165 /nfs/dbraw/zinc/26/31/65/573263165.db2.gz ATHVTCWGKTVZPW-MZPHRCEOSA-N 1 3 194.322 1.228 10 0 ADAEHO C[C@H]([NH2+][C@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 716646582 573263168 /nfs/dbraw/zinc/26/31/68/573263168.db2.gz ATHVTCWGKTVZPW-MZPHRCEOSA-N 1 3 194.322 1.228 10 0 ADAEHO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](C)CN 308332902 573262468 /nfs/dbraw/zinc/26/24/68/573262468.db2.gz LTMZWNCVMBESCF-GARJFASQSA-N 1 3 186.343 1.996 10 0 ADAEHO CCCC[C@@H](C)[NH+]1CCC(N)CC1 50888997 573262559 /nfs/dbraw/zinc/26/25/59/573262559.db2.gz KZEWOZJFOQFSPW-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H](C)N1CCC([NH3+])CC1 50888997 573262566 /nfs/dbraw/zinc/26/25/66/573262566.db2.gz KZEWOZJFOQFSPW-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@@H](C)N1CC[C@H]([NH3+])C1 50888999 573262719 /nfs/dbraw/zinc/26/27/19/573262719.db2.gz MLQNCQUPYZSLBV-ZJUUUORDSA-N 1 3 170.300 1.598 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[N@@H+]1CC[C@H](CN)C1 716650926 573263028 /nfs/dbraw/zinc/26/30/28/573263028.db2.gz LYONTJDTAWTKEG-LDMBFOFVSA-N 1 3 194.322 1.312 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](N)C1CCCC1 259400670 573263030 /nfs/dbraw/zinc/26/30/30/573263030.db2.gz LUQJTOJKMJKECO-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[N@H+]1CC[C@H](CN)C1 716650926 573263032 /nfs/dbraw/zinc/26/30/32/573263032.db2.gz LYONTJDTAWTKEG-LDMBFOFVSA-N 1 3 194.322 1.312 10 0 ADAEHO CC[C@H](CNC)[C@H]([NH3+])C1CCCC1 259400670 573263035 /nfs/dbraw/zinc/26/30/35/573263035.db2.gz LUQJTOJKMJKECO-KOLCDFICSA-N 1 3 184.327 1.750 10 0 ADAEHO CNCC1(C[NH2+]C2CCC2)CCC1 259065644 573277411 /nfs/dbraw/zinc/27/74/11/573277411.db2.gz TZSWASUHVIDLCF-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO C[NH2+]CC1(CNC2CCC2)CCC1 259065644 573277415 /nfs/dbraw/zinc/27/74/15/573277415.db2.gz TZSWASUHVIDLCF-UHFFFAOYSA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]1C 308537078 573277933 /nfs/dbraw/zinc/27/79/33/573277933.db2.gz MQDZGJCDUFGTIZ-QJPTWQEYSA-N 1 3 198.354 1.996 10 0 ADAEHO C[NH2+]Cc1cccc2c1CNCC2 257994360 573289653 /nfs/dbraw/zinc/28/96/53/573289653.db2.gz FUKDYLIPDJHZFP-UHFFFAOYSA-N 1 3 176.263 1.052 10 0 ADAEHO C[NH2+][C@H](C)c1ccc(CN)c(F)c1 238333823 573289855 /nfs/dbraw/zinc/28/98/55/573289855.db2.gz BVHGZKONMXTBIT-SSDOTTSWSA-N 1 3 182.242 1.565 10 0 ADAEHO CN(C)Cc1csc2c1CC[NH2+]C2 238333620 573290122 /nfs/dbraw/zinc/29/01/22/573290122.db2.gz GBWXYOPNZTWFCR-UHFFFAOYSA-N 1 3 196.319 1.455 10 0 ADAEHO CC[C@@H](C)[N@@H+]1CC[C@@H](CN)C1(C)C 259405021 573290155 /nfs/dbraw/zinc/29/01/55/573290155.db2.gz MMYPJSBLCKBSDV-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@@H](C)[N@H+]1CC[C@@H](CN)C1(C)C 259405021 573290159 /nfs/dbraw/zinc/29/01/59/573290159.db2.gz MMYPJSBLCKBSDV-ZJUUUORDSA-N 1 3 184.327 1.844 10 0 ADAEHO C[N@@H+]1CCCNC2(CCCCC2)C1 82941428 573312303 /nfs/dbraw/zinc/31/23/03/573312303.db2.gz ZHMZVPDBZXPYTN-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO C[N@H+]1CCCNC2(CCCCC2)C1 82941428 573312312 /nfs/dbraw/zinc/31/23/12/573312312.db2.gz ZHMZVPDBZXPYTN-UHFFFAOYSA-N 1 3 182.311 1.614 10 0 ADAEHO C[C@H](C[NH2+]C1CC(N)C1)C1CC1 132529769 573312410 /nfs/dbraw/zinc/31/24/10/573312410.db2.gz XGKICDNECNPKSR-CUUXFQNZSA-N 1 3 168.284 1.112 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](c1cc[nH]c1)N(C)C 259413830 573312420 /nfs/dbraw/zinc/31/24/20/573312420.db2.gz HUKMXWYVWBLBAM-SCZZXKLOSA-N 1 3 181.283 1.212 10 0 ADAEHO CC[C@@H](CNc1ccncc1)C[NH2+]C 259080760 573312422 /nfs/dbraw/zinc/31/24/22/573312422.db2.gz VGJMIAZRHXOIOL-SNVBAGLBSA-N 1 3 193.294 1.739 10 0 ADAEHO C[C@H](C[NH2+]C[C@H]1CCCNC1)C1CC1 132529385 573312426 /nfs/dbraw/zinc/31/24/26/573312426.db2.gz WGXQHMPHBRCEMD-MNOVXSKESA-N 1 3 196.338 1.622 10 0 ADAEHO CC(C)[C@H]1CN(C)[C@@H](C)CC[NH2+]1 82942311 573312491 /nfs/dbraw/zinc/31/24/91/573312491.db2.gz SCYOPZAWZONRQJ-VHSXEESVSA-N 1 3 170.300 1.325 10 0 ADAEHO CC(C)C[C@H]1C[N@H+](C)[C@H](C)CCN1 82942799 573311825 /nfs/dbraw/zinc/31/18/25/573311825.db2.gz FJQPHPWKQQQYBX-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[C@H]1C[N@@H+](C)[C@H](C)CCN1 82942799 573311827 /nfs/dbraw/zinc/31/18/27/573311827.db2.gz FJQPHPWKQQQYBX-MNOVXSKESA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@H](N)c1csc([C@@H]2CC[NH2+]C2)n1 258253581 573312005 /nfs/dbraw/zinc/31/20/05/573312005.db2.gz WXFXFTHSMLLZSD-NKWVEPMBSA-N 1 3 197.307 1.240 10 0 ADAEHO CC(C)CN1CCCC[NH2+][C@H](C)C1 259412476 573312022 /nfs/dbraw/zinc/31/20/22/573312022.db2.gz MZGFIRKPULMGIA-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[N@@H+]1C 82943221 573312111 /nfs/dbraw/zinc/31/21/11/573312111.db2.gz DXCPQCHPIASENY-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CCN[C@](C)(C2CC2)C[N@H+]1C 82943221 573312117 /nfs/dbraw/zinc/31/21/17/573312117.db2.gz DXCPQCHPIASENY-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1C 82943221 573312122 /nfs/dbraw/zinc/31/21/22/573312122.db2.gz DXCPQCHPIASENY-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)C[C@H]1C[N@H+](C)[C@@H](C)CCN1 82942801 573313171 /nfs/dbraw/zinc/31/31/71/573313171.db2.gz FJQPHPWKQQQYBX-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC(C)C[C@H]1C[N@@H+](C)[C@@H](C)CCN1 82942801 573313176 /nfs/dbraw/zinc/31/31/76/573313176.db2.gz FJQPHPWKQQQYBX-QWRGUYRKSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[N@@H+]1CCCN[C@@](C)(CC)C1 82942093 573312707 /nfs/dbraw/zinc/31/27/07/573312707.db2.gz LEQDLIOTUMZAJN-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO C[C@H](C[NH3+])[C@H](c1cc[nH]c1)N(C)C 259413826 573312709 /nfs/dbraw/zinc/31/27/09/573312709.db2.gz HUKMXWYVWBLBAM-PSASIEDQSA-N 1 3 181.283 1.212 10 0 ADAEHO CC[N@H+]1CCCN[C@@](C)(CC)C1 82942093 573312715 /nfs/dbraw/zinc/31/27/15/573312715.db2.gz LEQDLIOTUMZAJN-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCN1CCC[NH2+][C@@](C)(CC)C1 82942093 573312721 /nfs/dbraw/zinc/31/27/21/573312721.db2.gz LEQDLIOTUMZAJN-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@H+](C)[C@H](C)CCN1 82942399 573312743 /nfs/dbraw/zinc/31/27/43/573312743.db2.gz OBOZXZWMNDOWPB-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](C)[C@H]1C[N@@H+](C)[C@H](C)CCN1 82942399 573312748 /nfs/dbraw/zinc/31/27/48/573312748.db2.gz OBOZXZWMNDOWPB-HBNTYKKESA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H]1CN(CC2CC2)[C@H](C)CC[NH2+]1 82943344 573312790 /nfs/dbraw/zinc/31/27/90/573312790.db2.gz RHZAFDHNIDFJRJ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[N@@H+]1CCCN[C@](C)(C2CC2)C1 82941689 573312880 /nfs/dbraw/zinc/31/28/80/573312880.db2.gz VGMCUHHBPFHILL-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC[N@H+]1CCCN[C@](C)(C2CC2)C1 82941689 573312886 /nfs/dbraw/zinc/31/28/86/573312886.db2.gz VGMCUHHBPFHILL-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[NH2+][C@](C)(C2CC2)C1 82941689 573312892 /nfs/dbraw/zinc/31/28/92/573312892.db2.gz VGMCUHHBPFHILL-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CCN1CCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258255352 573312985 /nfs/dbraw/zinc/31/29/85/573312985.db2.gz QWENZZNXGMDBJU-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCN[C@](C)(C2CC2)C[N@@H+]1C 82943223 573313000 /nfs/dbraw/zinc/31/30/00/573313000.db2.gz DXCPQCHPIASENY-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCN[C@](C)(C2CC2)C[N@H+]1C 82943223 573313005 /nfs/dbraw/zinc/31/30/05/573313005.db2.gz DXCPQCHPIASENY-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1C 82943223 573313009 /nfs/dbraw/zinc/31/30/09/573313009.db2.gz DXCPQCHPIASENY-ONGXEEELSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC1(CC)C[N@H+](C)[C@@H](C)CCN1 82943670 573313072 /nfs/dbraw/zinc/31/30/72/573313072.db2.gz CQKUBQOKJDUFFU-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO C[C@H](C[NH2+][C@@H]1CC[C@H](N)C1)C1CC1 132508038 573313074 /nfs/dbraw/zinc/31/30/74/573313074.db2.gz ZFVSLNCQWXJPBL-DVVUODLYSA-N 1 3 182.311 1.502 10 0 ADAEHO CCC1(CC)C[N@@H+](C)[C@@H](C)CCN1 82943670 573313077 /nfs/dbraw/zinc/31/30/77/573313077.db2.gz CQKUBQOKJDUFFU-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCC1(CC)CN(C)[C@@H](C)CC[NH2+]1 82943670 573313081 /nfs/dbraw/zinc/31/30/81/573313081.db2.gz CQKUBQOKJDUFFU-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CC[N@@H+]1CCC[C@H](CN)C1(C)C 259415184 573322562 /nfs/dbraw/zinc/32/25/62/573322562.db2.gz NBGXWEJHADHJSL-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1CCC[C@H](CN)C1(C)C 259415184 573322567 /nfs/dbraw/zinc/32/25/67/573322567.db2.gz NBGXWEJHADHJSL-SECBINFHSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[C@H]1C[N@H+](CC)CCCN1 82953738 573322762 /nfs/dbraw/zinc/32/27/62/573322762.db2.gz TXFXIMBQKAGATJ-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO CCC[C@H]1C[N@@H+](CC)CCCN1 82953738 573322765 /nfs/dbraw/zinc/32/27/65/573322765.db2.gz TXFXIMBQKAGATJ-JTQLQIEISA-N 1 3 170.300 1.470 10 0 ADAEHO NCc1cnc([C@@H]2CCC[NH2+]C2)s1 258004006 573322965 /nfs/dbraw/zinc/32/29/65/573322965.db2.gz ITAWUQGIVKLYSP-SSDOTTSWSA-N 1 3 197.307 1.069 10 0 ADAEHO NCc1cnc([C@H]2CCC[NH2+]C2)s1 258004007 573323127 /nfs/dbraw/zinc/32/31/27/573323127.db2.gz ITAWUQGIVKLYSP-ZETCQYMHSA-N 1 3 197.307 1.069 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1CCC1(C)C 308560523 573333758 /nfs/dbraw/zinc/33/37/58/573333758.db2.gz XAIXZIDFHIGMSH-GHMZBOCLSA-N 1 3 198.354 1.996 10 0 ADAEHO [NH3+][C@@H](C1CCC1)[C@H]1CCCCN1 259420655 573333762 /nfs/dbraw/zinc/33/37/62/573333762.db2.gz OZRBKWULMXEDJZ-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@H](C1CCC1)[C@H]1CCCCN1 259420647 573333910 /nfs/dbraw/zinc/33/39/10/573333910.db2.gz OZRBKWULMXEDJZ-NXEZZACHSA-N 1 3 168.284 1.256 10 0 ADAEHO CC[C@H](C)[C@H]1CN[C@H](C)CC[NH2+]1 82961002 573337113 /nfs/dbraw/zinc/33/71/13/573337113.db2.gz FJRDVZLDKKWTBT-IVZWLZJFSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@H](C)[C@H]1C[NH2+][C@H](C)CCN1 82961002 573337120 /nfs/dbraw/zinc/33/71/20/573337120.db2.gz FJRDVZLDKKWTBT-IVZWLZJFSA-N 1 3 170.300 1.373 10 0 ADAEHO CC[C@](C)([NH3+])CNC1CC(C2CC2)C1 714670642 573337121 /nfs/dbraw/zinc/33/71/21/573337121.db2.gz NKDHDDSOXPFLBQ-MCIGGMRASA-N 1 3 196.338 1.892 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1CCC1(C)C 308560525 573337195 /nfs/dbraw/zinc/33/71/95/573337195.db2.gz XAIXZIDFHIGMSH-MNOVXSKESA-N 1 3 198.354 1.996 10 0 ADAEHO CCC[C@H]1CN[C@H](C)CC[NH2+]1 82961020 573337247 /nfs/dbraw/zinc/33/72/47/573337247.db2.gz GTJPRZKEEGAEPY-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO CCC[C@H]1C[NH2+][C@H](C)CCN1 82961020 573337253 /nfs/dbraw/zinc/33/72/53/573337253.db2.gz GTJPRZKEEGAEPY-BDAKNGLRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@@H]1CCNC2(CCCC2)C[NH2+]1 82961023 573336745 /nfs/dbraw/zinc/33/67/45/573336745.db2.gz YNXUBZCESUUJMH-SECBINFHSA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@@H]1CC[NH2+]C2(CCCC2)CN1 82961023 573336747 /nfs/dbraw/zinc/33/67/47/573336747.db2.gz YNXUBZCESUUJMH-SECBINFHSA-N 1 3 168.284 1.271 10 0 ADAEHO CCC1(CC)CNCCC[NH2+]1 82960990 573336953 /nfs/dbraw/zinc/33/69/53/573336953.db2.gz FBDNUNOCRBTCBV-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO CCC1(CC)C[NH2+]CCCN1 82960990 573336961 /nfs/dbraw/zinc/33/69/61/573336961.db2.gz FBDNUNOCRBTCBV-UHFFFAOYSA-N 1 3 156.273 1.128 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1C1CCCC1 86303250 573356234 /nfs/dbraw/zinc/35/62/34/573356234.db2.gz WMERDADMYZMIBO-NHCYSSNCSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1C1CCCC1 86303250 573356236 /nfs/dbraw/zinc/35/62/36/573356236.db2.gz WMERDADMYZMIBO-NHCYSSNCSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303126 573356461 /nfs/dbraw/zinc/35/64/61/573356461.db2.gz ZWPSJIBVPBDKPU-VLEAKVRGSA-N 1 3 184.327 1.843 10 0 ADAEHO CC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 86303126 573356469 /nfs/dbraw/zinc/35/64/69/573356469.db2.gz ZWPSJIBVPBDKPU-VLEAKVRGSA-N 1 3 184.327 1.843 10 0 ADAEHO C[C@@H]1[C@@H]([NH3+])CCN(C2CC2)[C@@H]1C 86303195 573356560 /nfs/dbraw/zinc/35/65/60/573356560.db2.gz VMPFADNXQSRGED-XKSSXDPKSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1CC1CC1 86302849 573356591 /nfs/dbraw/zinc/35/65/91/573356591.db2.gz LHQYQELUHPKMEX-QXEWZRGKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1CC1CC1 86302849 573356596 /nfs/dbraw/zinc/35/65/96/573356596.db2.gz LHQYQELUHPKMEX-QXEWZRGKSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CC1CC1 86302849 573356603 /nfs/dbraw/zinc/35/66/03/573356603.db2.gz LHQYQELUHPKMEX-QXEWZRGKSA-N 1 3 182.311 1.454 10 0 ADAEHO CC(C)(C)C[C@H]1C[C@@H](N)CC[NH2+]1 107123004 573361430 /nfs/dbraw/zinc/36/14/30/573361430.db2.gz IPBPEUQXQGXTMM-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)(C)C[C@H]1C[C@@H]([NH3+])CCN1 107123004 573361436 /nfs/dbraw/zinc/36/14/36/573361436.db2.gz IPBPEUQXQGXTMM-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](C)N1CCSCC1 86311411 573361439 /nfs/dbraw/zinc/36/14/39/573361439.db2.gz JYEOGJZLWFCWMW-RKDXNWHRSA-N 1 3 188.340 1.019 10 0 ADAEHO CC1CC[NH+]([C@@H](C)[C@@H](C)CN)CC1 86311018 573360858 /nfs/dbraw/zinc/36/08/58/573360858.db2.gz BHGIBLMIAPWJQU-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC1CC[NH+]([C@@H](C)[C@H](C)CN)CC1 86311020 573360964 /nfs/dbraw/zinc/36/09/64/573360964.db2.gz BHGIBLMIAPWJQU-MNOVXSKESA-N 1 3 184.327 1.702 10 0 ADAEHO CC[NH2+][C@@H]1CCN2CCC1CC2 107121773 573360990 /nfs/dbraw/zinc/36/09/90/573360990.db2.gz JJUDBWHDDBZTBN-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[NH+]1CCCC1 86311042 573361051 /nfs/dbraw/zinc/36/10/51/573361051.db2.gz SXTBWKRYTBJMGA-DTWKUNHWSA-N 1 3 156.273 1.066 10 0 ADAEHO N[C@@H]1CC[NH2+][C@H](C2CCCC2)C1 107121788 573361163 /nfs/dbraw/zinc/36/11/63/573361163.db2.gz GULYJNSWHVUTOJ-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO [NH3+][C@@H]1CCN[C@H](C2CCCC2)C1 107121788 573361170 /nfs/dbraw/zinc/36/11/70/573361170.db2.gz GULYJNSWHVUTOJ-ZJUUUORDSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H](CN)[C@H](C)[NH+]1CCCCCC1 86311162 573363753 /nfs/dbraw/zinc/36/37/53/573363753.db2.gz IOAULBHQFSGDFZ-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1CNCCC(F)F 308368773 573363117 /nfs/dbraw/zinc/36/31/17/573363117.db2.gz JITORZGRNNGNFW-JGVFFNPUSA-N 1 3 192.253 1.359 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1CNCCC(F)F 308368767 573363171 /nfs/dbraw/zinc/36/31/71/573363171.db2.gz JITORZGRNNGNFW-HTQZYQBOSA-N 1 3 192.253 1.359 10 0 ADAEHO NC[C@@H](C[NH2+]C1CC1)c1ccco1 258313201 573363197 /nfs/dbraw/zinc/36/31/97/573363197.db2.gz XFGHSAPFMYIECO-QMMMGPOBSA-N 1 3 180.251 1.074 10 0 ADAEHO [NH3+]C[C@@H](CNC1CC1)c1ccco1 258313201 573363200 /nfs/dbraw/zinc/36/32/00/573363200.db2.gz XFGHSAPFMYIECO-QMMMGPOBSA-N 1 3 180.251 1.074 10 0 ADAEHO C/C=C/C=C/CN1CCC[C@H](C[NH3+])C1 308367872 573363212 /nfs/dbraw/zinc/36/32/12/573363212.db2.gz MPHZEOLGONNCTA-JXVRCYGRSA-N 1 3 194.322 1.789 10 0 ADAEHO [NH3+]C[C@@H](Nc1ccncc1)C1CCC1 717623996 573363225 /nfs/dbraw/zinc/36/32/25/573363225.db2.gz AAEDDGPILXCZBB-LLVKDONJSA-N 1 3 191.278 1.043 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](C)C1 86311936 573363290 /nfs/dbraw/zinc/36/32/90/573363290.db2.gz VLKBLDSGPLSXTL-VWYCJHECSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)C1 86311936 573363296 /nfs/dbraw/zinc/36/32/96/573363296.db2.gz VLKBLDSGPLSXTL-VWYCJHECSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN1CC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258314693 573363302 /nfs/dbraw/zinc/36/33/02/573363302.db2.gz DAOPXVNTHRFPNV-NXEZZACHSA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)[N@H+](C)[C@@H](C)[C@@H](C)CN 86311262 573363380 /nfs/dbraw/zinc/36/33/80/573363380.db2.gz IRKMLDNPDUGBJS-IUCAKERBSA-N 1 3 158.289 1.310 10 0 ADAEHO CC(C)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311262 573363383 /nfs/dbraw/zinc/36/33/83/573363383.db2.gz IRKMLDNPDUGBJS-IUCAKERBSA-N 1 3 158.289 1.310 10 0 ADAEHO C[C@H](CN)[C@@H](C)[NH+]1CCCCCC1 86311161 573363404 /nfs/dbraw/zinc/36/34/04/573363404.db2.gz IOAULBHQFSGDFZ-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1CNCCC(F)F 308368782 573363417 /nfs/dbraw/zinc/36/34/17/573363417.db2.gz JITORZGRNNGNFW-YUMQZZPRSA-N 1 3 192.253 1.359 10 0 ADAEHO C[C@@H](CN)[C@H](C)[NH+]1CCCC1 86311044 573363457 /nfs/dbraw/zinc/36/34/57/573363457.db2.gz SXTBWKRYTBJMGA-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@@H+]1C1CCC1 86304655 573363502 /nfs/dbraw/zinc/36/35/02/573363502.db2.gz ULDZYGRMCXTYAJ-QXEWZRGKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H](N)CC[N@H+]1C1CCC1 86304655 573363509 /nfs/dbraw/zinc/36/35/09/573363509.db2.gz ULDZYGRMCXTYAJ-QXEWZRGKSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1C1CCC1 86304655 573363512 /nfs/dbraw/zinc/36/35/12/573363512.db2.gz ULDZYGRMCXTYAJ-QXEWZRGKSA-N 1 3 182.311 1.597 10 0 ADAEHO C1CNC[C@]2(C1)CC[N@@H+](CC1CC1)C2 211343870 573363536 /nfs/dbraw/zinc/36/35/36/573363536.db2.gz DLBQCDMNJZBHCK-LBPRGKRZSA-N 1 3 194.322 1.472 10 0 ADAEHO C1CNC[C@]2(C1)CC[N@H+](CC1CC1)C2 211343870 573363542 /nfs/dbraw/zinc/36/35/42/573363542.db2.gz DLBQCDMNJZBHCK-LBPRGKRZSA-N 1 3 194.322 1.472 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@H+](C)C1CC1 86311494 573363596 /nfs/dbraw/zinc/36/35/96/573363596.db2.gz IURTYLNQNBHZBG-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](CN)[C@H](C)[N@@H+](C)C1CC1 86311494 573363602 /nfs/dbraw/zinc/36/36/02/573363602.db2.gz IURTYLNQNBHZBG-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](C[NH3+])[C@H](C)N(C)C1CC1 86311494 573363605 /nfs/dbraw/zinc/36/36/05/573363605.db2.gz IURTYLNQNBHZBG-YUMQZZPRSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)CN(C)C 308563933 573368949 /nfs/dbraw/zinc/36/89/49/573368949.db2.gz GWQUKSZZIBKIHA-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CN[C@H](C)CC[NH+]1C[C@H]2CCC[C@@H]2C1 126135885 573369016 /nfs/dbraw/zinc/36/90/16/573369016.db2.gz MZFBWFZJIZOGND-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO CN1CCC([C@@]2(F)CC[NH2+]C2)CC1 107132109 573368343 /nfs/dbraw/zinc/36/83/43/573368343.db2.gz JYUUNRKOMKFROY-SNVBAGLBSA-N 1 3 186.274 1.030 10 0 ADAEHO CN(C)[C@H](C1CCC1)[C@@H]1CC[NH2+]C1 259428502 573368443 /nfs/dbraw/zinc/36/84/43/573368443.db2.gz IHYRWOSIQXTRAZ-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CN1C[C@@H](C2CCC2)C[C@@H]1C[NH3+] 258639828 573368508 /nfs/dbraw/zinc/36/85/08/573368508.db2.gz YQZGWECMNMVUPI-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1C[C@H](C2CCC2)C[C@H]1C[NH3+] 258639830 573368587 /nfs/dbraw/zinc/36/85/87/573368587.db2.gz YQZGWECMNMVUPI-ZJUUUORDSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@H]([NH2+]C[C@@H](C)CN(C)C)C1(C)CC1 308563932 573368598 /nfs/dbraw/zinc/36/85/98/573368598.db2.gz GWQUKSZZIBKIHA-MNOVXSKESA-N 1 3 198.354 1.962 10 0 ADAEHO CN(C)[C@H](C1CCC1)[C@H]1CC[NH2+]C1 259428518 573369844 /nfs/dbraw/zinc/36/98/44/573369844.db2.gz IHYRWOSIQXTRAZ-WDEREUQCSA-N 1 3 182.311 1.326 10 0 ADAEHO CN1C[C@H](C2CCC2)C[C@@H]1C[NH3+] 258639821 573369365 /nfs/dbraw/zinc/36/93/65/573369365.db2.gz YQZGWECMNMVUPI-NXEZZACHSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1CCC([C@]2(F)CC[NH2+]C2)CC1 107132106 573369544 /nfs/dbraw/zinc/36/95/44/573369544.db2.gz JYUUNRKOMKFROY-JTQLQIEISA-N 1 3 186.274 1.030 10 0 ADAEHO N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 107134774 573369717 /nfs/dbraw/zinc/36/97/17/573369717.db2.gz BZZJOBSXKJQQTF-NEPJUHHUSA-N 1 3 190.290 1.308 10 0 ADAEHO [NH3+]C[C@H](CNC1CC1)c1cccs1 258333301 573381055 /nfs/dbraw/zinc/38/10/55/573381055.db2.gz YSRKNQUTXMFYEK-MRVPVSSYSA-N 1 3 196.319 1.542 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@H]1NCCC(F)F 308371463 573381150 /nfs/dbraw/zinc/38/11/50/573381150.db2.gz LAZGCMUNDICJGX-HTQZYQBOSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@@H]1CNCC[C@H]1[NH2+]CCC(F)F 308371463 573381154 /nfs/dbraw/zinc/38/11/54/573381154.db2.gz LAZGCMUNDICJGX-HTQZYQBOSA-N 1 3 192.253 1.229 10 0 ADAEHO CCC1(CC)[C@@H]([NH3+])CCN1C 107158800 573382526 /nfs/dbraw/zinc/38/25/26/573382526.db2.gz SQENIRBOJJYOGT-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C[C@@H](C)C1CC1 133198656 573382553 /nfs/dbraw/zinc/38/25/53/573382553.db2.gz NPSCAOWHZAHNHU-MWLCHTKSSA-N 1 3 184.327 1.750 10 0 ADAEHO C/C=C\CCN[C@]1(C[NH3+])CCO[C@@H]1C 308378411 573382568 /nfs/dbraw/zinc/38/25/68/573382568.db2.gz QERWZMMUBSBGOS-CJOPTALJSA-N 1 3 198.310 1.049 10 0 ADAEHO CC[C@@H](C1CC1)[NH+]1CCC(N)CC1 83057906 573381757 /nfs/dbraw/zinc/38/17/57/573381757.db2.gz SNANBRRENBYFCK-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H](C1CC1)N1CCC([NH3+])CC1 83057906 573381761 /nfs/dbraw/zinc/38/17/61/573381761.db2.gz SNANBRRENBYFCK-NSHDSACASA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@H]([NH2+]C)[C@@H](CNC)C(C)C 259432868 573381861 /nfs/dbraw/zinc/38/18/61/573381861.db2.gz ZGAIYPFMFVCESM-QWRGUYRKSA-N 1 3 186.343 1.866 10 0 ADAEHO CC(C)[C@@H](N)CC[NH2+]C[C@@H](C)C1CC1 133178378 573381918 /nfs/dbraw/zinc/38/19/18/573381918.db2.gz NALJSRNMAPHVIK-PWSUYJOCSA-N 1 3 198.354 1.996 10 0 ADAEHO C[C@@H](CN)C[NH2+]C[C@@H](C)C1CC1 133214711 573381953 /nfs/dbraw/zinc/38/19/53/573381953.db2.gz IVRALIGPIKYMOB-DTWKUNHWSA-N 1 3 170.300 1.217 10 0 ADAEHO C[C@@H]1C[NH2+]CC[C@@H]1NCCC(F)F 308371479 573381956 /nfs/dbraw/zinc/38/19/56/573381956.db2.gz LAZGCMUNDICJGX-SFYZADRCSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CCC(F)F 308371479 573381962 /nfs/dbraw/zinc/38/19/62/573381962.db2.gz LAZGCMUNDICJGX-SFYZADRCSA-N 1 3 192.253 1.229 10 0 ADAEHO CCN1CC[C@H]([C@@]2(C)CCCC[NH2+]2)C1 258333787 573382171 /nfs/dbraw/zinc/38/21/71/573382171.db2.gz XFIKQXWGORPWQU-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](CNC[C@@H]1CCCC[NH2+]1)C1CC1 133180939 573382197 /nfs/dbraw/zinc/38/21/97/573382197.db2.gz SCPZLECDXJFMKD-PWSUYJOCSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H](C[NH+]1C[C@H]2CCC[C@@H]2C1)NC 126153685 573382319 /nfs/dbraw/zinc/38/23/19/573382319.db2.gz QGISOIVOPJMMMV-IJLUTSLNSA-N 1 3 196.338 1.716 10 0 ADAEHO C[NH2+][C@H](C(C)C)[C@@H](CN)C(C)C 259432761 573382400 /nfs/dbraw/zinc/38/24/00/573382400.db2.gz ZEQIXAOMKQFEFH-VHSXEESVSA-N 1 3 172.316 1.461 10 0 ADAEHO Cc1ncc2cc(C[NH3+])ccn12 107159636 573382443 /nfs/dbraw/zinc/38/24/43/573382443.db2.gz OMWUVAKQVZJRDJ-UHFFFAOYSA-N 1 3 161.208 1.101 10 0 ADAEHO C[C@H]1C[NH2+]CC[C@@H]1NCCC(F)F 308371485 573382455 /nfs/dbraw/zinc/38/24/55/573382455.db2.gz LAZGCMUNDICJGX-YUMQZZPRSA-N 1 3 192.253 1.229 10 0 ADAEHO C[C@H]1CNCC[C@@H]1[NH2+]CCC(F)F 308371485 573382456 /nfs/dbraw/zinc/38/24/56/573382456.db2.gz LAZGCMUNDICJGX-YUMQZZPRSA-N 1 3 192.253 1.229 10 0 ADAEHO CC(C)[C@H](N)CC[NH2+]C[C@H](C)C1CC1 133178576 573383669 /nfs/dbraw/zinc/38/36/69/573383669.db2.gz NALJSRNMAPHVIK-CMPLNLGQSA-N 1 3 198.354 1.996 10 0 ADAEHO CCN1CC[C@H]([C@]2(C)CCCC[NH2+]2)C1 258333789 573383773 /nfs/dbraw/zinc/38/37/73/573383773.db2.gz XFIKQXWGORPWQU-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CC[C@@]1(C)[C@H](CN)CC[N@@H+]1C 107158772 573383002 /nfs/dbraw/zinc/38/30/02/573383002.db2.gz HKJQOFRLWABWTQ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@]1(C)[C@H](CN)CC[N@H+]1C 107158772 573383007 /nfs/dbraw/zinc/38/30/07/573383007.db2.gz HKJQOFRLWABWTQ-IUCAKERBSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(C)[C@@]1(C)[C@@H]([NH3+])CCN1C 107158793 573383121 /nfs/dbraw/zinc/38/31/21/573383121.db2.gz MDARQSJDMBFJHI-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 118033053 573383280 /nfs/dbraw/zinc/38/32/80/573383280.db2.gz SUBBDRAVZCPWEL-OWUUHHOZSA-N 1 3 168.284 1.349 10 0 ADAEHO CC(C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 118033053 573383285 /nfs/dbraw/zinc/38/32/85/573383285.db2.gz SUBBDRAVZCPWEL-OWUUHHOZSA-N 1 3 168.284 1.349 10 0 ADAEHO CC(C)[C@@]1(C)[C@H]([NH3+])CCN1C 107158784 573383490 /nfs/dbraw/zinc/38/34/90/573383490.db2.gz MDARQSJDMBFJHI-BDAKNGLRSA-N 1 3 156.273 1.064 10 0 ADAEHO [NH3+]C[C@@H](CNC1CC1)c1cccs1 258333305 573383538 /nfs/dbraw/zinc/38/35/38/573383538.db2.gz YSRKNQUTXMFYEK-QMMMGPOBSA-N 1 3 196.319 1.542 10 0 ADAEHO CCN1CC[C@@H]([C@@]2(C)CCCC[NH2+]2)C1 258333791 573383578 /nfs/dbraw/zinc/38/35/78/573383578.db2.gz XFIKQXWGORPWQU-VXGBXAGGSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](CNC[C@H]1CCCC[NH2+]1)C1CC1 133181298 573383579 /nfs/dbraw/zinc/38/35/79/573383579.db2.gz SCPZLECDXJFMKD-ZYHUDNBSSA-N 1 3 196.338 1.764 10 0 ADAEHO CCC1(CC)[C@H]([NH3+])CCN1C 107158797 573383601 /nfs/dbraw/zinc/38/36/01/573383601.db2.gz SQENIRBOJJYOGT-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO CCC[C@H](C[C@@H]1CCCCN1)[NH2+]C 259436133 573390306 /nfs/dbraw/zinc/39/03/06/573390306.db2.gz OHWSHZOJHXECGU-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO CCC[C@@H](C[C@H]1CCCCN1)[NH2+]C 259436145 573390330 /nfs/dbraw/zinc/39/03/30/573390330.db2.gz OHWSHZOJHXECGU-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO N[C@@H](C1CCCCC1)C1C[NH2+]C1 259435844 573390576 /nfs/dbraw/zinc/39/05/76/573390576.db2.gz PRNDFZNXOPVMQA-JTQLQIEISA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H](C[NH2+]CC1(CN)CCC1)C1CC1 133269159 573392251 /nfs/dbraw/zinc/39/22/51/573392251.db2.gz MRFYZRUPMZIZTQ-SNVBAGLBSA-N 1 3 196.338 1.751 10 0 ADAEHO C[C@H](C[NH2+]CCC1(N)CCC1)C1CC1 133244436 573392309 /nfs/dbraw/zinc/39/23/09/573392309.db2.gz ZJHSDRJJUVXUAX-SNVBAGLBSA-N 1 3 196.338 1.894 10 0 ADAEHO CC1(C)C[N@@H+](C2CC2)CCCN1 83091502 573392928 /nfs/dbraw/zinc/39/29/28/573392928.db2.gz AEWUYAVSPWZVGR-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO CC1(C)C[N@H+](C2CC2)CCCN1 83091502 573392934 /nfs/dbraw/zinc/39/29/34/573392934.db2.gz AEWUYAVSPWZVGR-UHFFFAOYSA-N 1 3 168.284 1.223 10 0 ADAEHO Cc1ccc([C@@H](N)[C@@H](C)C[NH3+])cc1C 259094329 573392498 /nfs/dbraw/zinc/39/24/98/573392498.db2.gz APGGPEDMLSLQCQ-JQWIXIFHSA-N 1 3 192.306 1.898 10 0 ADAEHO CC(C)[C@H]1C[N@@H+](C2CC2)CCCN1 83091539 573392592 /nfs/dbraw/zinc/39/25/92/573392592.db2.gz TZQDUZHAWQFPAY-LLVKDONJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC(C)[C@H]1C[N@H+](C2CC2)CCCN1 83091539 573392598 /nfs/dbraw/zinc/39/25/98/573392598.db2.gz TZQDUZHAWQFPAY-LLVKDONJSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@@H](CN)C[NH2+]C[C@@H](C)C1CC1 133258226 573392626 /nfs/dbraw/zinc/39/26/26/573392626.db2.gz YHSGQBCZEUDOFT-ZJUUUORDSA-N 1 3 184.327 1.607 10 0 ADAEHO C[N@@H+]1CC[C@@H](CN)[C@@]1(C)C1CC1 107162289 573392633 /nfs/dbraw/zinc/39/26/33/573392633.db2.gz IKEDQDFUXWCCOR-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1CC[C@@H](CN)[C@@]1(C)C1CC1 107162289 573392638 /nfs/dbraw/zinc/39/26/38/573392638.db2.gz IKEDQDFUXWCCOR-VHSXEESVSA-N 1 3 168.284 1.066 10 0 ADAEHO CCN(CC)C[C@]12CCC[C@@H]1C[NH2+]C2 308570580 573392670 /nfs/dbraw/zinc/39/26/70/573392670.db2.gz JZNYPRKJBURZHW-VXGBXAGGSA-N 1 3 196.338 1.718 10 0 ADAEHO CCNC[C@@H](C)C[NH2+]C[C@@H](C)C1CC1 133226652 573392706 /nfs/dbraw/zinc/39/27/06/573392706.db2.gz RIAYRIBSSYWFGP-GHMZBOCLSA-N 1 3 198.354 1.868 10 0 ADAEHO C[C@]1(C2CC2)CN(C2CC2)CCC[NH2+]1 83091528 573392788 /nfs/dbraw/zinc/39/27/88/573392788.db2.gz OYODFOIKVIEYCR-GFCCVEGCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@]1(C2CC2)C[N@@H+](C2CC2)CCCN1 83091528 573392795 /nfs/dbraw/zinc/39/27/95/573392795.db2.gz OYODFOIKVIEYCR-GFCCVEGCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@]1(C2CC2)C[N@H+](C2CC2)CCCN1 83091528 573392800 /nfs/dbraw/zinc/39/28/00/573392800.db2.gz OYODFOIKVIEYCR-GFCCVEGCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H](C[NH2+]CC1(CN)CC1)C1CC1 133223950 573392188 /nfs/dbraw/zinc/39/21/88/573392188.db2.gz SAOVRKGNZNIQNL-SECBINFHSA-N 1 3 182.311 1.361 10 0 ADAEHO CCC[C@H]1C[N@@H+](C2CC2)CCCN1 83091513 573397202 /nfs/dbraw/zinc/39/72/02/573397202.db2.gz OXJCFFXSHZQQRV-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)CN(C)C 308572667 573397203 /nfs/dbraw/zinc/39/72/03/573397203.db2.gz CNPGADDAQMZRLZ-QJPTWQEYSA-N 1 3 198.354 1.962 10 0 ADAEHO CCC[C@H]1C[N@H+](C2CC2)CCCN1 83091513 573397208 /nfs/dbraw/zinc/39/72/08/573397208.db2.gz OXJCFFXSHZQQRV-JTQLQIEISA-N 1 3 182.311 1.613 10 0 ADAEHO CC[C@H](CNC)[C@@H]([NH2+]C)C(C)C 259438370 573397565 /nfs/dbraw/zinc/39/75/65/573397565.db2.gz ZQOFXESGHXREPV-ZJUUUORDSA-N 1 3 172.316 1.476 10 0 ADAEHO C[C@@H](N)C[C@H]1CCC[N@@H+]1CC1CCC1 308578133 573408977 /nfs/dbraw/zinc/40/89/77/573408977.db2.gz INLDWBWNDWCSLF-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)C[C@H]1CCC[N@H+]1CC1CCC1 308578133 573408982 /nfs/dbraw/zinc/40/89/82/573408982.db2.gz INLDWBWNDWCSLF-ZYHUDNBSSA-N 1 3 196.338 1.988 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H]([NH2+]C)C1CCC1 259097119 573409371 /nfs/dbraw/zinc/40/93/71/573409371.db2.gz DTXWMEPYIQFBSY-NEPJUHHUSA-N 1 3 198.354 1.866 10 0 ADAEHO C[C@@H](CC(F)F)N1CC[C@@H](C[NH3+])C1 308386469 573410211 /nfs/dbraw/zinc/41/02/11/573410211.db2.gz UUSPHDBNDNPCDA-YUMQZZPRSA-N 1 3 192.253 1.311 10 0 ADAEHO CC[C@H](C)[NH2+]C(C)(C)CCN 259101227 573410304 /nfs/dbraw/zinc/41/03/04/573410304.db2.gz ZUXGREKOJIKSCP-QMMMGPOBSA-N 1 3 158.289 1.502 10 0 ADAEHO CC1(C)C(N[C@H]2CC[C@@H]([NH3+])C2)C1(C)C 86401451 573410489 /nfs/dbraw/zinc/41/04/89/573410489.db2.gz RTRKMLVSAQMSQI-BDAKNGLRSA-N 1 3 196.338 1.890 10 0 ADAEHO CC1(C)C([NH2+][C@H]2CC[C@@H](N)C2)C1(C)C 86401451 573410493 /nfs/dbraw/zinc/41/04/93/573410493.db2.gz RTRKMLVSAQMSQI-BDAKNGLRSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H](CC(F)F)N1CC[C@H](C[NH3+])C1 308386461 573410713 /nfs/dbraw/zinc/41/07/13/573410713.db2.gz UUSPHDBNDNPCDA-HTQZYQBOSA-N 1 3 192.253 1.311 10 0 ADAEHO CCC[C@H]([C@H](CC)C[NH2+]C)N(C)C 259098341 573410722 /nfs/dbraw/zinc/41/07/22/573410722.db2.gz GYQJVHWBGRLBGP-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CCC[C@H]([C@H](CC)CNC)[NH+](C)C 259098341 573410731 /nfs/dbraw/zinc/41/07/31/573410731.db2.gz GYQJVHWBGRLBGP-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO [NH3+]CCCN[C@H]1C=CCCC1 236211602 573410821 /nfs/dbraw/zinc/41/08/21/573410821.db2.gz FUXGMMDSRLNMEP-VIFPVBQESA-N 1 3 154.257 1.034 10 0 ADAEHO NCCC[NH2+][C@H]1C=CCCC1 236211602 573410824 /nfs/dbraw/zinc/41/08/24/573410824.db2.gz FUXGMMDSRLNMEP-VIFPVBQESA-N 1 3 154.257 1.034 10 0 ADAEHO CCN(C1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86410068 573417290 /nfs/dbraw/zinc/41/72/90/573417290.db2.gz ZYGVKFGRKLPJDV-GXSJLCMTSA-N 1 3 182.311 1.741 10 0 ADAEHO CC[C@@]1([C@H]2CCCNC2)CCC[NH2+]1 258335258 573417392 /nfs/dbraw/zinc/41/73/92/573417392.db2.gz XGHRQIUJNINBRO-QWRGUYRKSA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)(C)CC[NH2+][C@H]1CC[C@H](N)C1 129975664 573417493 /nfs/dbraw/zinc/41/74/93/573417493.db2.gz AFWQUYMHBIAYJT-UWVGGRQHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)(C)CC[NH2+][C@@H]1CC[C@@H](N)C1 129975906 573417520 /nfs/dbraw/zinc/41/75/20/573417520.db2.gz AFWQUYMHBIAYJT-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO C/C=C\CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 308387596 573417532 /nfs/dbraw/zinc/41/75/32/573417532.db2.gz PQWIYVSAVNWWKT-LWDVMMASSA-N 1 3 194.322 1.622 10 0 ADAEHO CC(C)C[N@H+](C)[C@H]1CC[C@H](N)C1 86410137 573417726 /nfs/dbraw/zinc/41/77/26/573417726.db2.gz FRZYUPQVVOZIIM-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[N@@H+](C)[C@H]1CC[C@H](N)C1 86410137 573417730 /nfs/dbraw/zinc/41/77/30/573417730.db2.gz FRZYUPQVVOZIIM-UWVGGRQHSA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)C[N@H+](C)[C@@H]1CCC[C@H](N)C1 86410131 573417859 /nfs/dbraw/zinc/41/78/59/573417859.db2.gz NXQGKZVAPWLGPV-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86410131 573417866 /nfs/dbraw/zinc/41/78/66/573417866.db2.gz NXQGKZVAPWLGPV-WDEREUQCSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@H+](C)[C@H]1CCC[C@H](N)C1 86409669 573417909 /nfs/dbraw/zinc/41/79/09/573417909.db2.gz FFPGLWBNTDZFHU-UWVGGRQHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@@H+](C)[C@H]1CCC[C@H](N)C1 86409669 573417916 /nfs/dbraw/zinc/41/79/16/573417916.db2.gz FFPGLWBNTDZFHU-UWVGGRQHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)N(C)[C@H]1CCC[C@H]([NH3+])C1 86409669 573417918 /nfs/dbraw/zinc/41/79/18/573417918.db2.gz FFPGLWBNTDZFHU-UWVGGRQHSA-N 1 3 170.300 1.597 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@H](CN)[C@@H]1C 107220503 573422020 /nfs/dbraw/zinc/42/20/20/573422020.db2.gz LREHDADJMJUVPY-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@H+]1CC[C@@H](CN)[C@@H]1C 107220503 573422027 /nfs/dbraw/zinc/42/20/27/573422027.db2.gz LREHDADJMJUVPY-IUCAKERBSA-N 1 3 156.273 1.064 10 0 ADAEHO CC1(C)CC[NH+]([C@@H]2CC[C@H](N)C2)CC1 86432743 573422046 /nfs/dbraw/zinc/42/20/46/573422046.db2.gz BBCFIKHLJHTWEE-WDEREUQCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@H+](CC1CC1)[C@@H]1CCC[C@H](N)C1 86431639 573421440 /nfs/dbraw/zinc/42/14/40/573421440.db2.gz QNLUAYIFGUUVDH-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CC1CC1)[C@@H]1CCC[C@H](N)C1 86431639 573421446 /nfs/dbraw/zinc/42/14/46/573421446.db2.gz QNLUAYIFGUUVDH-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](CCCN)CCCC(F)(F)F 133712744 573422117 /nfs/dbraw/zinc/42/21/17/573422117.db2.gz VLZZMKYZBWHUQQ-UHFFFAOYSA-N 1 3 198.232 1.610 10 0 ADAEHO C[N@@H+](CCCN)CCCC(F)(F)F 133712744 573422123 /nfs/dbraw/zinc/42/21/23/573422123.db2.gz VLZZMKYZBWHUQQ-UHFFFAOYSA-N 1 3 198.232 1.610 10 0 ADAEHO CN(CCC[NH3+])CCCC(F)(F)F 133712744 573422129 /nfs/dbraw/zinc/42/21/29/573422129.db2.gz VLZZMKYZBWHUQQ-UHFFFAOYSA-N 1 3 198.232 1.610 10 0 ADAEHO CC1(C)CCC[N@@H+]1[C@@H]1CC[C@H](N)C1 86432820 573421699 /nfs/dbraw/zinc/42/16/99/573421699.db2.gz MTOCQZFWICGEDA-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO CC1(C)CCC[N@H+]1[C@@H]1CC[C@H](N)C1 86432820 573421702 /nfs/dbraw/zinc/42/17/02/573421702.db2.gz MTOCQZFWICGEDA-VHSXEESVSA-N 1 3 182.311 1.741 10 0 ADAEHO CN[C@@H]1C[C@@H](C)[N@@H+](C(C)C)C1 107220549 573421709 /nfs/dbraw/zinc/42/17/09/573421709.db2.gz GFEJRXLDLOEZSF-RKDXNWHRSA-N 1 3 156.273 1.077 10 0 ADAEHO CN[C@@H]1C[C@@H](C)[N@H+](C(C)C)C1 107220549 573421713 /nfs/dbraw/zinc/42/17/13/573421713.db2.gz GFEJRXLDLOEZSF-RKDXNWHRSA-N 1 3 156.273 1.077 10 0 ADAEHO C[C@H]1CCC[NH2+][C@H]1CNC(C)(C)C 235594172 573421802 /nfs/dbraw/zinc/42/18/02/573421802.db2.gz WXQQRTIJODMAMM-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H](CN)[C@@H]1C 107220508 573421811 /nfs/dbraw/zinc/42/18/11/573421811.db2.gz LREHDADJMJUVPY-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO CC(C)[N@H+]1CC[C@H](CN)[C@@H]1C 107220508 573421816 /nfs/dbraw/zinc/42/18/16/573421816.db2.gz LREHDADJMJUVPY-DTWKUNHWSA-N 1 3 156.273 1.064 10 0 ADAEHO [NH3+][C@@H](CCN1CCCC1)C1CC1 130001145 573421828 /nfs/dbraw/zinc/42/18/28/573421828.db2.gz ABXNCNVRPJLIEK-JTQLQIEISA-N 1 3 168.284 1.210 10 0 ADAEHO C[N@@H+](CC1CCCC1)[C@H]1CC[C@H](N)C1 86432874 573427042 /nfs/dbraw/zinc/42/70/42/573427042.db2.gz JKILUEAPCMKFLX-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1CC[NH+]([C@@H]2CC[C@@H](N)C2)CC1 86431809 573426488 /nfs/dbraw/zinc/42/64/88/573426488.db2.gz GKDITLADGWCFMP-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 86431809 573426492 /nfs/dbraw/zinc/42/64/92/573426492.db2.gz GKDITLADGWCFMP-VXGBXAGGSA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H]1[C@@H](CN)CC(C)(C)[N@@H+]1C 107220437 573426568 /nfs/dbraw/zinc/42/65/68/573426568.db2.gz UZJHKFJYXOVIPE-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO C[C@@H]1[C@@H](CN)CC(C)(C)[N@H+]1C 107220437 573426572 /nfs/dbraw/zinc/42/65/72/573426572.db2.gz UZJHKFJYXOVIPE-HTQZYQBOSA-N 1 3 156.273 1.064 10 0 ADAEHO CCC1CC[NH+]([C@H]2CC[C@@H](N)C2)CC1 86431812 573426600 /nfs/dbraw/zinc/42/66/00/573426600.db2.gz GKDITLADGWCFMP-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC1CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 86431812 573426607 /nfs/dbraw/zinc/42/66/07/573426607.db2.gz GKDITLADGWCFMP-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[N@H+](CC[C@H](N)C1CC1)C(C)C 130014274 573426624 /nfs/dbraw/zinc/42/66/24/573426624.db2.gz BAZGEQXLNJCEOW-NSHDSACASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@@H+]1CCC[C@H]([C@H](F)CN)C1 257811504 573426628 /nfs/dbraw/zinc/42/66/28/573426628.db2.gz BEDSCYCBXBXTSF-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO CC[N@@H+](CC[C@H](N)C1CC1)C(C)C 130014274 573426630 /nfs/dbraw/zinc/42/66/30/573426630.db2.gz BAZGEQXLNJCEOW-NSHDSACASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[N@H+]1CCC[C@H]([C@H](F)CN)C1 257811504 573426633 /nfs/dbraw/zinc/42/66/33/573426633.db2.gz BEDSCYCBXBXTSF-DTWKUNHWSA-N 1 3 174.263 1.015 10 0 ADAEHO CCN(CC[C@H]([NH3+])C1CC1)C(C)C 130014274 573426634 /nfs/dbraw/zinc/42/66/34/573426634.db2.gz BAZGEQXLNJCEOW-NSHDSACASA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H]1[C@@H](CN)CCC[N@@H+]1C 107220484 573426684 /nfs/dbraw/zinc/42/66/84/573426684.db2.gz AUQVPBNTDCQNEV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1[C@@H](CN)CCC[N@H+]1C 107220484 573426686 /nfs/dbraw/zinc/42/66/86/573426686.db2.gz AUQVPBNTDCQNEV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@H]1[C@@H](C[NH3+])CCCN1C 107220484 573426692 /nfs/dbraw/zinc/42/66/92/573426692.db2.gz AUQVPBNTDCQNEV-BDAKNGLRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC1(C)CC[NH+]([C@@H]2CC[C@@H](N)C2)CC1 86432745 573426699 /nfs/dbraw/zinc/42/66/99/573426699.db2.gz BBCFIKHLJHTWEE-GHMZBOCLSA-N 1 3 196.338 1.988 10 0 ADAEHO CCC[C@@H]([NH3+])CCNCCC(F)F 308389060 573426709 /nfs/dbraw/zinc/42/67/09/573426709.db2.gz WWHXZNOQUFVSFJ-MRVPVSSYSA-N 1 3 194.269 1.749 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCC[C@H](N)C1 86432905 573426762 /nfs/dbraw/zinc/42/67/62/573426762.db2.gz VJKKVFNILYOIEO-WISYIIOYSA-N 1 3 196.338 1.844 10 0 ADAEHO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@H](N)C1 86432905 573426768 /nfs/dbraw/zinc/42/67/68/573426768.db2.gz VJKKVFNILYOIEO-WISYIIOYSA-N 1 3 196.338 1.844 10 0 ADAEHO CC[N@@H+]1CCC[C@@H]([C@H](F)CN)C1 257811506 573426864 /nfs/dbraw/zinc/42/68/64/573426864.db2.gz BEDSCYCBXBXTSF-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO CC[N@H+]1CCC[C@@H]([C@H](F)CN)C1 257811506 573426867 /nfs/dbraw/zinc/42/68/67/573426867.db2.gz BEDSCYCBXBXTSF-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO CCC(C)(C)[N@H+](C)[C@@H]1CC[C@H](N)C1 86432919 573426892 /nfs/dbraw/zinc/42/68/92/573426892.db2.gz XGYKPHCFFWFIEY-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@H](N)C1 86432919 573426896 /nfs/dbraw/zinc/42/68/96/573426896.db2.gz XGYKPHCFFWFIEY-VHSXEESVSA-N 1 3 184.327 1.987 10 0 ADAEHO C[N@H+](CC1CCC1)[C@@H]1CC[C@H](N)C1 86432716 573426916 /nfs/dbraw/zinc/42/69/16/573426916.db2.gz LOJSEBDHCCQLBX-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@@H+](CC1CCC1)[C@@H]1CC[C@H](N)C1 86432716 573426923 /nfs/dbraw/zinc/42/69/23/573426923.db2.gz LOJSEBDHCCQLBX-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO C[N@H+](CC1CCCC1)[C@H]1CC[C@H](N)C1 86432874 573427034 /nfs/dbraw/zinc/42/70/34/573427034.db2.gz JKILUEAPCMKFLX-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH+]1CCC2(CCNC[C@H]2F)CC1 257812424 573430557 /nfs/dbraw/zinc/43/05/57/573430557.db2.gz BQAZFDQBGUXJNQ-SECBINFHSA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@H]1[C@@H](CN)CCC[N@@H+]1C1CC1 107223973 573430580 /nfs/dbraw/zinc/43/05/80/573430580.db2.gz ZIJZSKSPZPLBFX-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@@H](CN)CCC[N@H+]1C1CC1 107223973 573430585 /nfs/dbraw/zinc/43/05/85/573430585.db2.gz ZIJZSKSPZPLBFX-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H]1[C@@H](C[NH3+])CCCN1C1CC1 107223973 573430590 /nfs/dbraw/zinc/43/05/90/573430590.db2.gz ZIJZSKSPZPLBFX-DTWKUNHWSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)C[NH2+]CC[C@H](N)C1CC1 130038228 573429841 /nfs/dbraw/zinc/42/98/41/573429841.db2.gz KEBPLZRYVIVRCH-JTQLQIEISA-N 1 3 170.300 1.359 10 0 ADAEHO CC(C)[C@H]1[C@@H](CN)CCC[N@@H+]1C 107224782 573429887 /nfs/dbraw/zinc/42/98/87/573429887.db2.gz UOLJMCIIRKCLGL-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)[C@H]1[C@@H](CN)CCC[N@H+]1C 107224782 573429895 /nfs/dbraw/zinc/42/98/95/573429895.db2.gz UOLJMCIIRKCLGL-ZJUUUORDSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H]1N(C)CC[C@@]12CC[NH2+]C2 107223901 573429994 /nfs/dbraw/zinc/42/99/94/573429994.db2.gz QFFUDTSIWOHLLM-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH+]1CCC2(CCNC[C@@H]2F)CC1 257812425 573430166 /nfs/dbraw/zinc/43/01/66/573430166.db2.gz BQAZFDQBGUXJNQ-VIFPVBQESA-N 1 3 186.274 1.030 10 0 ADAEHO C[C@H]1N(C)CCC[C@@]12CCC[NH2+]C2 107229687 573442217 /nfs/dbraw/zinc/44/22/17/573442217.db2.gz APLDRJQVFHRZKS-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1[N@H+](C)CCC[C@@]12CCCNC2 107229687 573442218 /nfs/dbraw/zinc/44/22/18/573442218.db2.gz APLDRJQVFHRZKS-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1[N@@H+](C)CCC[C@@]12CCCNC2 107229687 573442219 /nfs/dbraw/zinc/44/22/19/573442219.db2.gz APLDRJQVFHRZKS-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)(C)C[NH2+]CC[C@@H](N)C1CC1 130043253 573442220 /nfs/dbraw/zinc/44/22/20/573442220.db2.gz SQYRMBXYCQGTCE-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@H]1C[C@@]2(CCC[NH2+]C2)CN1C1CC1 107235732 573442236 /nfs/dbraw/zinc/44/22/36/573442236.db2.gz SJJMTASWYSEJAV-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1C[C@@]2(CCCNC2)C[N@@H+]1C1CC1 107235732 573442242 /nfs/dbraw/zinc/44/22/42/573442242.db2.gz SJJMTASWYSEJAV-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1C[C@@]2(CCCNC2)C[N@H+]1C1CC1 107235732 573442245 /nfs/dbraw/zinc/44/22/45/573442245.db2.gz SJJMTASWYSEJAV-CMPLNLGQSA-N 1 3 194.322 1.613 10 0 ADAEHO CNCC1([C@H](C(C)C)[NH+](C)C)CCC1 259450500 573442289 /nfs/dbraw/zinc/44/22/89/573442289.db2.gz JFGJIXCJDFJYNK-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]CC1([C@H](C(C)C)N(C)C)CCC1 259450500 573442295 /nfs/dbraw/zinc/44/22/95/573442295.db2.gz JFGJIXCJDFJYNK-NSHDSACASA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@@H]1C[C@]2(CCC[NH2+]C2)CN1C1CC1 107235736 573442328 /nfs/dbraw/zinc/44/23/28/573442328.db2.gz SJJMTASWYSEJAV-PWSUYJOCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@]2(CCCNC2)C[N@@H+]1C1CC1 107235736 573442333 /nfs/dbraw/zinc/44/23/33/573442333.db2.gz SJJMTASWYSEJAV-PWSUYJOCSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@@H]1C[C@]2(CCCNC2)C[N@H+]1C1CC1 107235736 573442340 /nfs/dbraw/zinc/44/23/40/573442340.db2.gz SJJMTASWYSEJAV-PWSUYJOCSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@]1([C@@H]2CCN(C)C2)CCC[NH2+]1 258355498 573441909 /nfs/dbraw/zinc/44/19/09/573441909.db2.gz YVMDZXZAABYGND-MNOVXSKESA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCCN[C@H]2[C@H]1C 107229944 573441925 /nfs/dbraw/zinc/44/19/25/573441925.db2.gz HNCLMLWZPMIYCI-VWYCJHECSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCCN[C@H]2[C@H]1C 107229944 573441931 /nfs/dbraw/zinc/44/19/31/573441931.db2.gz HNCLMLWZPMIYCI-VWYCJHECSA-N 1 3 182.311 1.467 10 0 ADAEHO CC(C)[C@H]1[N@H+](C)CC[C@@]12CCCNC2 107237427 573442037 /nfs/dbraw/zinc/44/20/37/573442037.db2.gz LZSAXDQEDUYMTR-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[C@H]1[N@@H+](C)CC[C@@]12CCCNC2 107237427 573442041 /nfs/dbraw/zinc/44/20/41/573442041.db2.gz LZSAXDQEDUYMTR-VXGBXAGGSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[N@@H+]1CC[C@@]2(CCCNC2)[C@@H]1C 107237463 573444876 /nfs/dbraw/zinc/44/48/76/573444876.db2.gz PASSXYLUKVXLBH-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CC[C@@]2(CCCNC2)[C@@H]1C 107237463 573444881 /nfs/dbraw/zinc/44/48/81/573444881.db2.gz PASSXYLUKVXLBH-NWDGAFQWSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@@H+]1CC[C@]2(CCCNC2)[C@@H]1C 107237457 573444898 /nfs/dbraw/zinc/44/48/98/573444898.db2.gz PASSXYLUKVXLBH-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[N@H+]1CC[C@]2(CCCNC2)[C@@H]1C 107237457 573444903 /nfs/dbraw/zinc/44/49/03/573444903.db2.gz PASSXYLUKVXLBH-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](CNC1=[NH+]CCCC1)CN(C)C 308585879 573444997 /nfs/dbraw/zinc/44/49/97/573444997.db2.gz RWBKUBFPCYBXOW-JTQLQIEISA-N 1 3 197.326 1.356 10 0 ADAEHO CNCC1([C@@H](C(C)C)[NH+](C)C)CCC1 259450498 573445015 /nfs/dbraw/zinc/44/50/15/573445015.db2.gz JFGJIXCJDFJYNK-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]CC1([C@@H](C(C)C)N(C)C)CCC1 259450498 573445020 /nfs/dbraw/zinc/44/50/20/573445020.db2.gz JFGJIXCJDFJYNK-LLVKDONJSA-N 1 3 198.354 1.962 10 0 ADAEHO [NH3+]Cc1ccccc1CCNCCF 308586507 573445089 /nfs/dbraw/zinc/44/50/89/573445089.db2.gz MOEULMUUEGHINF-UHFFFAOYSA-N 1 3 196.269 1.247 10 0 ADAEHO C[C@H](CN)C[NH2+]CC(C)(C)C1CCC1 258654383 573445150 /nfs/dbraw/zinc/44/51/50/573445150.db2.gz AZHHGZNVRRAHKB-SNVBAGLBSA-N 1 3 198.354 1.997 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2NCCC[C@H]2C[N@@H+]1C 107237592 573445158 /nfs/dbraw/zinc/44/51/58/573445158.db2.gz GCHWYQIAOPTCNE-QJPTWQEYSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2NCCC[C@H]2C[N@H+]1C 107237592 573445165 /nfs/dbraw/zinc/44/51/65/573445165.db2.gz GCHWYQIAOPTCNE-QJPTWQEYSA-N 1 3 196.338 1.715 10 0 ADAEHO CCCC(C)(C)[N@@H+]1CC[C@@H](CN)C1 126260309 573445184 /nfs/dbraw/zinc/44/51/84/573445184.db2.gz AIBFGSFNGSOXDH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC(C)(C)[N@H+]1CC[C@@H](CN)C1 126260309 573445188 /nfs/dbraw/zinc/44/51/88/573445188.db2.gz AIBFGSFNGSOXDH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([NH3+])C[C@@H](N)C(C)(C)C 259103250 573445193 /nfs/dbraw/zinc/44/51/93/573445193.db2.gz BDEXHARGJLXGJP-NKWVEPMBSA-N 1 3 144.262 1.097 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2CNCC[C@@H]2C[N@@H+]1C 107237515 573445206 /nfs/dbraw/zinc/44/52/06/573445206.db2.gz UXBVIZLANRDUMS-GRYCIOLGSA-N 1 3 196.338 1.572 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2CNCC[C@@H]2C[N@H+]1C 107237515 573445210 /nfs/dbraw/zinc/44/52/10/573445210.db2.gz UXBVIZLANRDUMS-GRYCIOLGSA-N 1 3 196.338 1.572 10 0 ADAEHO CNCC[C@@H](C1CCCC1)[NH+](C)C 259450527 573445217 /nfs/dbraw/zinc/44/52/17/573445217.db2.gz JFKMBRRWPDKJHY-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC[C@@H](C1CCCC1)N(C)C 259450527 573445223 /nfs/dbraw/zinc/44/52/23/573445223.db2.gz JFKMBRRWPDKJHY-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@]1([C@H]2CCN(C)C2)CCC[NH2+]1 258355499 573445375 /nfs/dbraw/zinc/44/53/75/573445375.db2.gz YVMDZXZAABYGND-QWRGUYRKSA-N 1 3 182.311 1.470 10 0 ADAEHO C[NH2+]C[C@H]1CCN(C2CC2)C1(C)C 259448770 573445613 /nfs/dbraw/zinc/44/56/13/573445613.db2.gz PASNUCRFLXMWFI-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@H]1CC[N@H+](C2CC2)C1(C)C 259448770 573445618 /nfs/dbraw/zinc/44/56/18/573445618.db2.gz PASNUCRFLXMWFI-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO CNC[C@H]1CC[N@@H+](C2CC2)C1(C)C 259448770 573445621 /nfs/dbraw/zinc/44/56/21/573445621.db2.gz PASNUCRFLXMWFI-SECBINFHSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1CC[C@@H]1[NH2+]CC1(CN)CCCC1 308590510 573453949 /nfs/dbraw/zinc/45/39/49/573453949.db2.gz KDWWIFGCLYZTCH-MNOVXSKESA-N 1 3 196.338 1.894 10 0 ADAEHO C[C@@H]1CN[C@@](C)(C[C@@H]2CC[N@H+](C)C2)O1 258352846 573453961 /nfs/dbraw/zinc/45/39/61/573453961.db2.gz FVFZPUCSWBRICI-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@@](C)(C[C@@H]2CC[N@@H+](C)C2)O1 258352846 573453966 /nfs/dbraw/zinc/45/39/66/573453966.db2.gz FVFZPUCSWBRICI-OUAUKWLOSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H](CN)[C@H](C1CCC1)[NH+](C)C 259454482 573453992 /nfs/dbraw/zinc/45/39/92/573453992.db2.gz JIOSVUQYXWLTOI-PSASIEDQSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC(CC)CN1CC2=C(C[NH2+]C2)C1 308591422 573453336 /nfs/dbraw/zinc/45/33/36/573453336.db2.gz KMJBQUWZBZNJHS-UHFFFAOYSA-N 1 3 194.322 1.638 10 0 ADAEHO CCC(CC)C[NH+]1CC2=C(CNC2)C1 308591422 573453340 /nfs/dbraw/zinc/45/33/40/573453340.db2.gz KMJBQUWZBZNJHS-UHFFFAOYSA-N 1 3 194.322 1.638 10 0 ADAEHO C[C@@H](CN)[C@@H](C1CCC1)[NH+](C)C 259454493 573453430 /nfs/dbraw/zinc/45/34/30/573453430.db2.gz JIOSVUQYXWLTOI-WPRPVWTQSA-N 1 3 170.300 1.312 10 0 ADAEHO C[C@H](CN)[C@@H](C1CCC1)[NH+](C)C 259454486 573458426 /nfs/dbraw/zinc/45/84/26/573458426.db2.gz JIOSVUQYXWLTOI-SCZZXKLOSA-N 1 3 170.300 1.312 10 0 ADAEHO CCC[N@@H+]1CCCNC(C)(C)CC1 259453936 573458487 /nfs/dbraw/zinc/45/84/87/573458487.db2.gz PMOPIXZRHRXGPQ-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCC[N@H+]1CCCNC(C)(C)CC1 259453936 573458495 /nfs/dbraw/zinc/45/84/95/573458495.db2.gz PMOPIXZRHRXGPQ-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO CCCN1CCC[NH2+]C(C)(C)CC1 259453936 573458501 /nfs/dbraw/zinc/45/85/01/573458501.db2.gz PMOPIXZRHRXGPQ-UHFFFAOYSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@H](N)[C@](C)(F)[C@@H]1CCC[N@H+](C)C1 257817691 573458591 /nfs/dbraw/zinc/45/85/91/573458591.db2.gz DWRAEYSOTFHRFR-AEJSXWLSSA-N 1 3 188.290 1.404 10 0 ADAEHO C[C@H](N)[C@](C)(F)[C@@H]1CCC[N@@H+](C)C1 257817691 573458597 /nfs/dbraw/zinc/45/85/97/573458597.db2.gz DWRAEYSOTFHRFR-AEJSXWLSSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)N1CC(C(F)(F)CC[NH3+])C1 257814190 573458632 /nfs/dbraw/zinc/45/86/32/573458632.db2.gz CJZYNUDTFOHSFU-UHFFFAOYSA-N 1 3 192.253 1.311 10 0 ADAEHO C[C@@H]1CCC[NH2+][C@@H]1C[C@@H]1CCCCN1 238403733 573458818 /nfs/dbraw/zinc/45/88/18/573458818.db2.gz RHCMACPGKIBGJK-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[C@@H]1CCCN[C@@H]1C[C@@H]1CCCC[NH2+]1 238403733 573458825 /nfs/dbraw/zinc/45/88/25/573458825.db2.gz RHCMACPGKIBGJK-GRYCIOLGSA-N 1 3 196.338 1.907 10 0 ADAEHO C[NH2+][C@H](CC(C)(C)N)C(C)C 259457853 573459928 /nfs/dbraw/zinc/45/99/28/573459928.db2.gz PKLUSDUIKHZRGN-MRVPVSSYSA-N 1 3 158.289 1.358 10 0 ADAEHO CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 86494100 573459996 /nfs/dbraw/zinc/45/99/96/573459996.db2.gz BNBZOLCUBNNMMJ-BBBLOLIVSA-N 1 3 168.284 1.127 10 0 ADAEHO CN[C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 86498127 573460768 /nfs/dbraw/zinc/46/07/68/573460768.db2.gz ZOYUPRLQYCXEMZ-MXWKQRLJSA-N 1 3 182.311 1.517 10 0 ADAEHO CC[NH+]1CCC([C@@H](F)CN)CC1 257814924 573460851 /nfs/dbraw/zinc/46/08/51/573460851.db2.gz COPAXKDIAAGBGN-VIFPVBQESA-N 1 3 174.263 1.015 10 0 ADAEHO CC(C)[N@@H+]1CC[C@H]([C@H](F)CN)C1 257815386 573461074 /nfs/dbraw/zinc/46/10/74/573461074.db2.gz CTGCLASDQNUJSV-DTWKUNHWSA-N 1 3 174.263 1.014 10 0 ADAEHO CC(C)[N@H+]1CC[C@H]([C@H](F)CN)C1 257815386 573461080 /nfs/dbraw/zinc/46/10/80/573461080.db2.gz CTGCLASDQNUJSV-DTWKUNHWSA-N 1 3 174.263 1.014 10 0 ADAEHO CN[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 86498123 573461309 /nfs/dbraw/zinc/46/13/09/573461309.db2.gz ZOYUPRLQYCXEMZ-AXFHLTTASA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@H](c1cc(CN)n(C)c1)[NH+](C)C 257815763 573467645 /nfs/dbraw/zinc/46/76/45/573467645.db2.gz CXOQYXOGDPICQW-MRVPVSSYSA-N 1 3 181.283 1.106 10 0 ADAEHO C[C@@H]1CC(C)(C)[NH2+][C@H](C)CN1 238405626 573467745 /nfs/dbraw/zinc/46/77/45/573467745.db2.gz ZEPZVKXVHQECDM-HTQZYQBOSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@@H]1C[NH2+][C@H](C)CC(C)(C)N1 238405626 573467751 /nfs/dbraw/zinc/46/77/51/573467751.db2.gz ZEPZVKXVHQECDM-HTQZYQBOSA-N 1 3 156.273 1.125 10 0 ADAEHO C[N@@H+]1CC[C@H](C[C@H]2NC(C)(C)CO2)C1 258397120 573467331 /nfs/dbraw/zinc/46/73/31/573467331.db2.gz ICPWNNAZMOBIFD-ZJUUUORDSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@H](C[C@H]2NC(C)(C)CO2)C1 258397120 573467333 /nfs/dbraw/zinc/46/73/33/573467333.db2.gz ICPWNNAZMOBIFD-ZJUUUORDSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[N@@H+]1CCC[C@@H](CNC)C1(C)C 259461161 573467354 /nfs/dbraw/zinc/46/73/54/573467354.db2.gz PZSPPQXNWVCEBM-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1CCC[C@@H](CNC)C1(C)C 259461161 573467361 /nfs/dbraw/zinc/46/73/61/573467361.db2.gz PZSPPQXNWVCEBM-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1CCC[C@@H](C[NH2+]C)C1(C)C 259461161 573467366 /nfs/dbraw/zinc/46/73/66/573467366.db2.gz PZSPPQXNWVCEBM-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CN1CC[C@H]([NH3+])C[C@@H]1C(C)(C)C 107273857 573467383 /nfs/dbraw/zinc/46/73/83/573467383.db2.gz GGLDARBXQVZMFD-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1C(C)(C)C 107273857 573467389 /nfs/dbraw/zinc/46/73/89/573467389.db2.gz GGLDARBXQVZMFD-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[N@H+]1CC[C@H](N)C[C@@H]1C(C)(C)C 107273857 573467393 /nfs/dbraw/zinc/46/73/93/573467393.db2.gz GGLDARBXQVZMFD-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CC[N@H+](CC[C@@H](N)C1CC1)CC1CC1 130106268 573467480 /nfs/dbraw/zinc/46/74/80/573467480.db2.gz CIYZRFSUEQSTMO-GFCCVEGCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[N@@H+](CC[C@@H](N)C1CC1)CC1CC1 130106268 573467487 /nfs/dbraw/zinc/46/74/87/573467487.db2.gz CIYZRFSUEQSTMO-GFCCVEGCSA-N 1 3 196.338 1.846 10 0 ADAEHO CCN(CC[C@@H]([NH3+])C1CC1)CC1CC1 130106268 573467489 /nfs/dbraw/zinc/46/74/89/573467489.db2.gz CIYZRFSUEQSTMO-GFCCVEGCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H](C[NH2+]C)CN1CCCCC1 258665146 573472057 /nfs/dbraw/zinc/47/20/57/573472057.db2.gz NYWWJIVGSTVKCQ-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC[C@@H](CNC)C[NH+]1CCCCC1 258665146 573472064 /nfs/dbraw/zinc/47/20/64/573472064.db2.gz NYWWJIVGSTVKCQ-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCN1CCC[C@H](C[NH2+]CC2CC2)C1 308583837 573472214 /nfs/dbraw/zinc/47/22/14/573472214.db2.gz HQSSVWVLFKGQSQ-GFCCVEGCSA-N 1 3 196.338 1.718 10 0 ADAEHO C/C=C\CCN[C@@]1(C[NH3+])CCCOC1 308391474 573472495 /nfs/dbraw/zinc/47/24/95/573472495.db2.gz MRNCIHVYMOZZAD-OTDNITJGSA-N 1 3 198.310 1.050 10 0 ADAEHO CN[C@@H](CCC[NH3+])c1ccc(C)o1 259100555 573472871 /nfs/dbraw/zinc/47/28/71/573472871.db2.gz AHFLZIFEPQNRHU-VIFPVBQESA-N 1 3 182.267 1.587 10 0 ADAEHO CCC[C@H]([C@@H]1CCCNC1)[NH+](C)C 259464346 573481408 /nfs/dbraw/zinc/48/14/08/573481408.db2.gz JXNPSGJMOWYYFX-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@H]([C@@H]1CCC[NH2+]C1)N(C)C 259464346 573481412 /nfs/dbraw/zinc/48/14/12/573481412.db2.gz JXNPSGJMOWYYFX-GHMZBOCLSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](CN)C1 83394190 573480808 /nfs/dbraw/zinc/48/08/08/573480808.db2.gz GWFKNANEIRWJCR-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](CN)C1 83394190 573480811 /nfs/dbraw/zinc/48/08/11/573480811.db2.gz GWFKNANEIRWJCR-UTUOFQBUSA-N 1 3 196.338 1.846 10 0 ADAEHO Cc1ccc([C@@H](N)[C@@H](C)C[NH3+])cc1 259100678 573481108 /nfs/dbraw/zinc/48/11/08/573481108.db2.gz AXALVGVUWQEFRU-ONGXEEELSA-N 1 3 178.279 1.590 10 0 ADAEHO CCC[C@@H]([C@@H]1CCCNC1)[NH+](C)C 259464347 573481277 /nfs/dbraw/zinc/48/12/77/573481277.db2.gz JXNPSGJMOWYYFX-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[C@@H]([C@@H]1CCC[NH2+]C1)N(C)C 259464347 573481281 /nfs/dbraw/zinc/48/12/81/573481281.db2.gz JXNPSGJMOWYYFX-MNOVXSKESA-N 1 3 184.327 1.716 10 0 ADAEHO Cc1ccc([C@H](N)C2C[NH2+]C2)cc1C 259470697 573483820 /nfs/dbraw/zinc/48/38/20/573483820.db2.gz RRRQHTFUDUSAMF-LBPRGKRZSA-N 1 3 190.290 1.523 10 0 ADAEHO CCCN1CC[C@H]([NH2+]C)C(C)(C)C1 259106845 573483958 /nfs/dbraw/zinc/48/39/58/573483958.db2.gz AZKHYYRFAGYRDF-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)CC[NH2+]CC1(CN)CC1 258676028 573484080 /nfs/dbraw/zinc/48/40/80/573484080.db2.gz OWGNTZGZNHPSBP-UHFFFAOYSA-N 1 3 170.300 1.361 10 0 ADAEHO CN1CC=C(c2ccc(C[NH3+])cc2)C1 257819490 573484168 /nfs/dbraw/zinc/48/41/68/573484168.db2.gz FLDGAIFNWVIJNB-UHFFFAOYSA-N 1 3 188.274 1.474 10 0 ADAEHO C[N@@H+]1CCC[C@@H](C[C@@H]2NCCCO2)C1 258399824 573484256 /nfs/dbraw/zinc/48/42/56/573484256.db2.gz IIGIGMRQHPJGBF-WDEREUQCSA-N 1 3 198.310 1.054 10 0 ADAEHO C[N@H+]1CCC[C@@H](C[C@@H]2NCCCO2)C1 258399824 573484264 /nfs/dbraw/zinc/48/42/64/573484264.db2.gz IIGIGMRQHPJGBF-WDEREUQCSA-N 1 3 198.310 1.054 10 0 ADAEHO Cc1ccc(CCNC[C@@H](C)C[NH3+])o1 258694327 573495333 /nfs/dbraw/zinc/49/53/33/573495333.db2.gz GFDRZRHJJAMQTP-VIFPVBQESA-N 1 3 196.294 1.315 10 0 ADAEHO Cc1ccc(CC[NH2+]C[C@@H](C)CN)o1 258694327 573495338 /nfs/dbraw/zinc/49/53/38/573495338.db2.gz GFDRZRHJJAMQTP-VIFPVBQESA-N 1 3 196.294 1.315 10 0 ADAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC(F)F 308394191 573495370 /nfs/dbraw/zinc/49/53/70/573495370.db2.gz CHFQUKVSYGFVQD-YUMQZZPRSA-N 1 3 192.253 1.359 10 0 ADAEHO [NH3+]C[C@@H]1CCC[C@@H]1NCCC(F)F 308394191 573495377 /nfs/dbraw/zinc/49/53/77/573495377.db2.gz CHFQUKVSYGFVQD-YUMQZZPRSA-N 1 3 192.253 1.359 10 0 ADAEHO C[C@@H](CNc1ccncc1)C[NH+](C)C 308593691 573495397 /nfs/dbraw/zinc/49/53/97/573495397.db2.gz XCHNLYNMJQGZHN-JTQLQIEISA-N 1 3 193.294 1.691 10 0 ADAEHO CCCC[C@H]1C[C@@H]([NH3+])CCN1C 83426144 573495505 /nfs/dbraw/zinc/49/55/05/573495505.db2.gz FNGAUDKYJXEOIL-UWVGGRQHSA-N 1 3 170.300 1.598 10 0 ADAEHO CN[C@H](c1ccc(C)cc1)[C@H](C)C[NH3+] 259477640 573495642 /nfs/dbraw/zinc/49/56/42/573495642.db2.gz PNOGHZAUIODARZ-PWSUYJOCSA-N 1 3 192.306 1.850 10 0 ADAEHO CC(F)(F)CC[NH2+]CC1(CN)CC1 393638726 573495807 /nfs/dbraw/zinc/49/58/07/573495807.db2.gz QSFARKCIFBUYCP-UHFFFAOYSA-N 1 3 192.253 1.360 10 0 ADAEHO C[C@H](CCCC[NH3+])N1CC[C@@H](F)C1 689812657 573496014 /nfs/dbraw/zinc/49/60/14/573496014.db2.gz BBYABAHTQSMIJP-NXEZZACHSA-N 1 3 188.290 1.548 10 0 ADAEHO CC[C@@H]([C@H](C[NH2+]C)C(C)C)N(C)C 259479633 573503627 /nfs/dbraw/zinc/50/36/27/573503627.db2.gz KODBOADLQBLUOP-MNOVXSKESA-N 1 3 186.343 1.818 10 0 ADAEHO CC[C@@H]([C@H](CNC)C(C)C)[NH+](C)C 259479633 573503632 /nfs/dbraw/zinc/50/36/32/573503632.db2.gz KODBOADLQBLUOP-MNOVXSKESA-N 1 3 186.343 1.818 10 0 ADAEHO CCN1CC[C@@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258709148 573503660 /nfs/dbraw/zinc/50/36/60/573503660.db2.gz UVXKQUKDYYUSSB-ZJUUUORDSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+]CC[C@@H](N)C1CCCCC1 259110524 573502865 /nfs/dbraw/zinc/50/28/65/573502865.db2.gz BMGXSLAELQEWMI-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO CNCC[C@@H]([NH3+])C1CCCCC1 259110524 573502868 /nfs/dbraw/zinc/50/28/68/573502868.db2.gz BMGXSLAELQEWMI-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO C[NH+](C)[C@H](c1cc[nH]c1)C(C)(C)CN 259479799 573503223 /nfs/dbraw/zinc/50/32/23/573503223.db2.gz KQJIOSHCSPTXQU-SNVBAGLBSA-N 1 3 195.310 1.602 10 0 ADAEHO CCN(CC)C[C@@H](C[NH2+]C)C(C)C 258711342 573503261 /nfs/dbraw/zinc/50/32/61/573503261.db2.gz SLNJSSIMPPJYJY-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[NH+](CC)C[C@@H](CNC)C(C)C 258711342 573503265 /nfs/dbraw/zinc/50/32/65/573503265.db2.gz SLNJSSIMPPJYJY-LLVKDONJSA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](NC)c1ccncc1 259109323 573503313 /nfs/dbraw/zinc/50/33/13/573503313.db2.gz FPVFJRWTMKQRHJ-MWLCHTKSSA-N 1 3 193.294 1.327 10 0 ADAEHO CC(C)[C@@]1([C@@H]2CCCNC2)CCC[NH2+]1 258049190 573503329 /nfs/dbraw/zinc/50/33/29/573503329.db2.gz DALBIJQOBYKJCV-VXGBXAGGSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[NH+](CC)C[C@@H](C)n1ccnc1N 233437376 573503443 /nfs/dbraw/zinc/50/34/43/573503443.db2.gz LHBPYAMUDDZCJP-SECBINFHSA-N 1 3 196.298 1.368 10 0 ADAEHO C[NH2+]CC[C@H](N)C1CCCCC1 259110523 573503458 /nfs/dbraw/zinc/50/34/58/573503458.db2.gz BMGXSLAELQEWMI-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CNCC[C@H]([NH3+])C1CCCCC1 259110523 573503464 /nfs/dbraw/zinc/50/34/64/573503464.db2.gz BMGXSLAELQEWMI-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)(CN)C[NH2+]CCc1ccc[nH]1 258709904 573503536 /nfs/dbraw/zinc/50/35/36/573503536.db2.gz HUGWRXAQKKKQFI-UHFFFAOYSA-N 1 3 195.310 1.132 10 0 ADAEHO CC(C)(C[NH3+])CNCCc1ccc[nH]1 258709904 573503543 /nfs/dbraw/zinc/50/35/43/573503543.db2.gz HUGWRXAQKKKQFI-UHFFFAOYSA-N 1 3 195.310 1.132 10 0 ADAEHO CC(C)[C@H]1CCC[C@](N)(C[NH3+])CC1 83437695 573504961 /nfs/dbraw/zinc/50/49/61/573504961.db2.gz FDTYQPSHKGECDJ-WDEREUQCSA-N 1 3 184.327 1.879 10 0 ADAEHO CC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 86599089 573505040 /nfs/dbraw/zinc/50/50/40/573505040.db2.gz YCIORUYAZRJYPA-NXEZZACHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[NH2+][C@H](CC(C)C)[C@@H]1CCCNC1 259108874 573505043 /nfs/dbraw/zinc/50/50/43/573505043.db2.gz ASTLOUNJCSUSGS-GHMZBOCLSA-N 1 3 184.327 1.620 10 0 ADAEHO CCN(CC)C[C@H](C[NH2+]C)C(C)C 258711345 573505159 /nfs/dbraw/zinc/50/51/59/573505159.db2.gz SLNJSSIMPPJYJY-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CC[NH+](CC)C[C@H](CNC)C(C)C 258711345 573505163 /nfs/dbraw/zinc/50/51/63/573505163.db2.gz SLNJSSIMPPJYJY-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@@H](CNC)C[N@H+](C)CC(C)C 259110700 573505182 /nfs/dbraw/zinc/50/51/82/573505182.db2.gz XNZWBQBHVULRJG-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@@H](CNC)C[N@@H+](C)CC(C)C 259110700 573505186 /nfs/dbraw/zinc/50/51/86/573505186.db2.gz XNZWBQBHVULRJG-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CC[C@@H](C[NH2+]C)CN(C)CC(C)C 259110700 573505190 /nfs/dbraw/zinc/50/51/90/573505190.db2.gz XNZWBQBHVULRJG-NSHDSACASA-N 1 3 186.343 1.820 10 0 ADAEHO CN[C@H]1CCC[C@H]([NH+]2CCCC2)C1 86598836 573505445 /nfs/dbraw/zinc/50/54/45/573505445.db2.gz LCIFUSZDPXHTQO-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CC(C)[C@]1([C@@H]2CCCNC2)CCC[NH2+]1 258049181 573505471 /nfs/dbraw/zinc/50/54/71/573505471.db2.gz DALBIJQOBYKJCV-NEPJUHHUSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@H]1CCC[C@@](N)(C[NH3+])CC1 83437697 573507012 /nfs/dbraw/zinc/50/70/12/573507012.db2.gz FDTYQPSHKGECDJ-QWRGUYRKSA-N 1 3 184.327 1.879 10 0 ADAEHO C[C@@H]([NH3+])Cc1ccccc1CN(C)C 258050477 573507018 /nfs/dbraw/zinc/50/70/18/573507018.db2.gz KPWCBOYUQBAULH-SNVBAGLBSA-N 1 3 192.306 1.638 10 0 ADAEHO CC(C)[C@]1([C@H]2CCCNC2)CCC[NH2+]1 258049187 573506669 /nfs/dbraw/zinc/50/66/69/573506669.db2.gz DALBIJQOBYKJCV-RYUDHWBXSA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]1CCC[C@@](N)(C[NH3+])CC1 83436009 573506701 /nfs/dbraw/zinc/50/67/01/573506701.db2.gz QXQPCIKRZDZXAV-UWVGGRQHSA-N 1 3 170.300 1.633 10 0 ADAEHO C[NH2+]C[C@H](CN(C)C)C(C)C 258715643 573506761 /nfs/dbraw/zinc/50/67/61/573506761.db2.gz SWQHLZGDLZWCSG-SECBINFHSA-N 1 3 158.289 1.040 10 0 ADAEHO C[C@@H](C[NH3+])Cc1ncc2ccccn12 259482001 573508465 /nfs/dbraw/zinc/50/84/65/573508465.db2.gz MPFFDLTWZWCUIX-SECBINFHSA-N 1 3 189.262 1.472 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H](N(C)C2CC2)C1 86599192 573508621 /nfs/dbraw/zinc/50/86/21/573508621.db2.gz BDBWOADKUQDUAT-GXSJLCMTSA-N 1 3 182.311 1.611 10 0 ADAEHO CN[C@@H]1CCC[C@@H]([NH+]2CCCC2)C1 86598837 573507988 /nfs/dbraw/zinc/50/79/88/573507988.db2.gz LCIFUSZDPXHTQO-GHMZBOCLSA-N 1 3 182.311 1.613 10 0 ADAEHO CC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 86599090 573508045 /nfs/dbraw/zinc/50/80/45/573508045.db2.gz YCIORUYAZRJYPA-VHSXEESVSA-N 1 3 170.300 1.469 10 0 ADAEHO CCN1CC[C@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258709145 573508167 /nfs/dbraw/zinc/50/81/67/573508167.db2.gz UVXKQUKDYYUSSB-VHSXEESVSA-N 1 3 198.310 1.053 10 0 ADAEHO CN[C@H]1CCC[C@@H]([N@H+](C)C(C)C)C1 86599004 573508215 /nfs/dbraw/zinc/50/82/15/573508215.db2.gz NNIKEAZTCKAHQR-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H]1CCC[C@@H]([N@@H+](C)C(C)C)C1 86599004 573508219 /nfs/dbraw/zinc/50/82/19/573508219.db2.gz NNIKEAZTCKAHQR-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO C[NH2+][C@H]1CCC[C@@H](N(C)C(C)C)C1 86599004 573508223 /nfs/dbraw/zinc/50/82/23/573508223.db2.gz NNIKEAZTCKAHQR-WDEREUQCSA-N 1 3 184.327 1.857 10 0 ADAEHO CCN(C)[C@H]1CCC[C@H]([NH2+]C)C1 86599142 573508274 /nfs/dbraw/zinc/50/82/74/573508274.db2.gz FNPWAXAOZIAPAH-UWVGGRQHSA-N 1 3 170.300 1.469 10 0 ADAEHO C[C@@H](CN)C[NH2+]CCC1CCCC1 258724806 573514828 /nfs/dbraw/zinc/51/48/28/573514828.db2.gz JEZYYYMVQDQCDG-JTQLQIEISA-N 1 3 184.327 1.751 10 0 ADAEHO C[N@@H+]1CCCC[C@@H]1C(C)(C)N 107326771 573514088 /nfs/dbraw/zinc/51/40/88/573514088.db2.gz SZMKQWJBOKUBLQ-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[N@H+]1CCCC[C@@H]1C(C)(C)N 107326771 573514095 /nfs/dbraw/zinc/51/40/95/573514095.db2.gz SZMKQWJBOKUBLQ-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO C[NH2+]C[C@@H](CN1CCCCC1)C(C)C 258725659 573514255 /nfs/dbraw/zinc/51/42/55/573514255.db2.gz UOOZPCSOHQGBEF-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CNC[C@@H](C[NH+]1CCCCC1)C(C)C 258725659 573514263 /nfs/dbraw/zinc/51/42/63/573514263.db2.gz UOOZPCSOHQGBEF-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO C[C@H](N)c1coc([C@@H]2CC[N@H+](C)C2)n1 258051210 573514348 /nfs/dbraw/zinc/51/43/48/573514348.db2.gz KXOUQFRJHXERSZ-JGVFFNPUSA-N 1 3 195.266 1.113 10 0 ADAEHO C[C@H](N)c1coc([C@@H]2CC[N@@H+](C)C2)n1 258051210 573514353 /nfs/dbraw/zinc/51/43/53/573514353.db2.gz KXOUQFRJHXERSZ-JGVFFNPUSA-N 1 3 195.266 1.113 10 0 ADAEHO C[N@H+](C(C)(C)C)C(C)(C)CCN 258728725 573514615 /nfs/dbraw/zinc/51/46/15/573514615.db2.gz DZFRPZGFSYPYDB-UHFFFAOYSA-N 1 3 172.316 1.844 10 0 ADAEHO C[N@@H+](C(C)(C)C)C(C)(C)CCN 258728725 573514620 /nfs/dbraw/zinc/51/46/20/573514620.db2.gz DZFRPZGFSYPYDB-UHFFFAOYSA-N 1 3 172.316 1.844 10 0 ADAEHO Cc1noc([C@H]2CCCN2C)c1C[NH3+] 257821963 573514707 /nfs/dbraw/zinc/51/47/07/573514707.db2.gz GFITYTBQDSEYKT-SECBINFHSA-N 1 3 195.266 1.208 10 0 ADAEHO C[NH2+][C@@H]1CC[C@@H](N(C)C2CC2)C1 86618693 573522076 /nfs/dbraw/zinc/52/20/76/573522076.db2.gz SFWHVSDYLTXIJM-PSASIEDQSA-N 1 3 168.284 1.221 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCC[N@@H+]1CCC1CC1 308613214 573522206 /nfs/dbraw/zinc/52/22/06/573522206.db2.gz ZACDPIHODMEDRJ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N2CCCCC2)C1 86618445 573521454 /nfs/dbraw/zinc/52/14/54/573521454.db2.gz HCMRQHNQSFPIEH-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO CN[C@H]1CC[C@H]([NH+]2CCCCC2)C1 86618445 573521456 /nfs/dbraw/zinc/52/14/56/573521456.db2.gz HCMRQHNQSFPIEH-QWRGUYRKSA-N 1 3 182.311 1.613 10 0 ADAEHO C[C@@H](N)C[C@@H]1CCC[N@H+]1CCC1CC1 308613214 573522210 /nfs/dbraw/zinc/52/22/10/573522210.db2.gz ZACDPIHODMEDRJ-PWSUYJOCSA-N 1 3 196.338 1.988 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C)C2)C1 86619025 573521641 /nfs/dbraw/zinc/52/16/41/573521641.db2.gz FRNATULABJWNML-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C)C2)C1 86619025 573521646 /nfs/dbraw/zinc/52/16/46/573521646.db2.gz FRNATULABJWNML-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@@H](N2CC[C@H](C)C2)C1 86619025 573521652 /nfs/dbraw/zinc/52/16/52/573521652.db2.gz FRNATULABJWNML-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO [NH3+]CCc1cnc([C@@H]2CCCN2)s1 258057647 573521777 /nfs/dbraw/zinc/52/17/77/573521777.db2.gz LFFWIOSQAFHNNS-QMMMGPOBSA-N 1 3 197.307 1.069 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C)C2)C1 86619023 573521945 /nfs/dbraw/zinc/52/19/45/573521945.db2.gz FRNATULABJWNML-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)C2)C1 86619023 573521950 /nfs/dbraw/zinc/52/19/50/573521950.db2.gz FRNATULABJWNML-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[NH2+][C@@H]1CC[C@H](N2CC[C@H](C)C2)C1 86619023 573521953 /nfs/dbraw/zinc/52/19/53/573521953.db2.gz FRNATULABJWNML-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[C@@H](N(C)C)C(C)(C)C[NH3+] 259489472 573522032 /nfs/dbraw/zinc/52/20/32/573522032.db2.gz LCEOZWZGVKBOCG-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CN[C@@H]([C@H]1CCCC[NH2+]1)C(C)(C)C 259486625 573522422 /nfs/dbraw/zinc/52/24/22/573522422.db2.gz QZYUAAMWYFKPKB-ZJUUUORDSA-N 1 3 184.327 1.763 10 0 ADAEHO CN[C@@H]1CC[C@H]([NH+]2CCC(C)CC2)C1 86618280 573522456 /nfs/dbraw/zinc/52/24/56/573522456.db2.gz NAHBUYDTCKLSAI-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](N2CCC(C)CC2)C1 86618280 573522464 /nfs/dbraw/zinc/52/24/64/573522464.db2.gz NAHBUYDTCKLSAI-NEPJUHHUSA-N 1 3 196.338 1.859 10 0 ADAEHO Cc1ccc([C@H](N)C[C@H]2CC[NH2+]C2)o1 259486938 573522482 /nfs/dbraw/zinc/52/24/82/573522482.db2.gz SQLBNRJMLRAKOJ-NXEZZACHSA-N 1 3 194.278 1.587 10 0 ADAEHO [NH3+]Cc1ccc(CCN2CCC2)cc1 257826810 573522623 /nfs/dbraw/zinc/52/26/23/573522623.db2.gz HRDRCWIZHFNHQP-UHFFFAOYSA-N 1 3 190.290 1.394 10 0 ADAEHO CN[C@H]([C@H]1CCCC[NH2+]1)C(C)(C)C 259486617 573522720 /nfs/dbraw/zinc/52/27/20/573522720.db2.gz QZYUAAMWYFKPKB-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO CN[C@@H]1CC[C@H]([NH+]2CCCC2)C1 86618291 573522804 /nfs/dbraw/zinc/52/28/04/573522804.db2.gz JKFCOSMNVSIJSB-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO C[NH2+][C@@H]1CC[C@H](N2CCCC2)C1 86618291 573522811 /nfs/dbraw/zinc/52/28/11/573522811.db2.gz JKFCOSMNVSIJSB-ZJUUUORDSA-N 1 3 168.284 1.223 10 0 ADAEHO [NH3+]CCc1cnc([C@H]2CCCN2)s1 258057643 573522834 /nfs/dbraw/zinc/52/28/34/573522834.db2.gz LFFWIOSQAFHNNS-MRVPVSSYSA-N 1 3 197.307 1.069 10 0 ADAEHO CN[C@H]1CC[C@H]([NH+]2CCC(C)CC2)C1 86618278 573522850 /nfs/dbraw/zinc/52/28/50/573522850.db2.gz NAHBUYDTCKLSAI-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N2CCC(C)CC2)C1 86618278 573522853 /nfs/dbraw/zinc/52/28/53/573522853.db2.gz NAHBUYDTCKLSAI-RYUDHWBXSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H](c1ccncc1)C(C)(C)CN 259489668 573522933 /nfs/dbraw/zinc/52/29/33/573522933.db2.gz RGFBAMPENJWZGN-SNVBAGLBSA-N 1 3 193.294 1.327 10 0 ADAEHO C[NH2+]CCC[C@@H](c1ccc[nH]1)N(C)C 259487552 573523616 /nfs/dbraw/zinc/52/36/16/573523616.db2.gz KZJIMCUDHPHGIO-NSHDSACASA-N 1 3 195.310 1.617 10 0 ADAEHO CC(C)(CN)[C@@H]([NH3+])C1CCC1 259485340 573523665 /nfs/dbraw/zinc/52/36/65/573523665.db2.gz SPLDWMVTELWAHW-QMMMGPOBSA-N 1 3 156.273 1.099 10 0 ADAEHO Cc1ccc([C@@H](N)C[C@H]2CC[NH2+]C2)o1 259486950 573523809 /nfs/dbraw/zinc/52/38/09/573523809.db2.gz SQLBNRJMLRAKOJ-ZJUUUORDSA-N 1 3 194.278 1.587 10 0 ADAEHO Cc1ccc([C@@H](N)C[C@@H]2CC[NH2+]C2)o1 259486943 573523964 /nfs/dbraw/zinc/52/39/64/573523964.db2.gz SQLBNRJMLRAKOJ-UWVGGRQHSA-N 1 3 194.278 1.587 10 0 ADAEHO C[C@H]([NH3+])c1ccc(CN)c(F)c1 238425766 573524033 /nfs/dbraw/zinc/52/40/33/573524033.db2.gz PTLKIDBBUKQCNI-LURJTMIESA-N 1 3 168.215 1.304 10 0 ADAEHO C[C@H](CCN1CCCC1)[NH2+]CC1CC1 308605921 573524057 /nfs/dbraw/zinc/52/40/57/573524057.db2.gz BTRVHDNIRRIVFO-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+][C@@H](c1ccncc1)C(C)(C)CN 259489665 573524168 /nfs/dbraw/zinc/52/41/68/573524168.db2.gz RGFBAMPENJWZGN-JTQLQIEISA-N 1 3 193.294 1.327 10 0 ADAEHO C[C@H](N)C[C@H]1CC(C)(C)CC[NH2+]1 238425414 573527128 /nfs/dbraw/zinc/52/71/28/573527128.db2.gz AZXKUQOVHAEHSA-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H]([NH3+])C[C@H]1CC(C)(C)CCN1 238425414 573527134 /nfs/dbraw/zinc/52/71/34/573527134.db2.gz AZXKUQOVHAEHSA-IUCAKERBSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H](N)C[C@@H]1CC(C)(C)CC[NH2+]1 238425809 573527150 /nfs/dbraw/zinc/52/71/50/573527150.db2.gz AZXKUQOVHAEHSA-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H]1CC(C)(C)CCN1 238425809 573527152 /nfs/dbraw/zinc/52/71/52/573527152.db2.gz AZXKUQOVHAEHSA-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC[N@H+](C)C(C)(C)CCN 258748028 573527280 /nfs/dbraw/zinc/52/72/80/573527280.db2.gz GGYBOQPYWXWQME-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CCC[N@@H+](C)C(C)(C)CCN 258748028 573527285 /nfs/dbraw/zinc/52/72/85/573527285.db2.gz GGYBOQPYWXWQME-UHFFFAOYSA-N 1 3 158.289 1.456 10 0 ADAEHO CC(C)C[C@H](N)C[C@@H]1CCCC[NH2+]1 259500742 573541885 /nfs/dbraw/zinc/54/18/85/573541885.db2.gz ULQICBCLRNKCBN-QWRGUYRKSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@H]([NH3+])C[C@@H]1CCCCN1 259500742 573541889 /nfs/dbraw/zinc/54/18/89/573541889.db2.gz ULQICBCLRNKCBN-QWRGUYRKSA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@@H](N)C[C@@H]1CCCC[NH2+]1 259500740 573542167 /nfs/dbraw/zinc/54/21/67/573542167.db2.gz ULQICBCLRNKCBN-MNOVXSKESA-N 1 3 184.327 1.892 10 0 ADAEHO CC(C)C[C@@H]([NH3+])C[C@@H]1CCCCN1 259500740 573542171 /nfs/dbraw/zinc/54/21/71/573542171.db2.gz ULQICBCLRNKCBN-MNOVXSKESA-N 1 3 184.327 1.892 10 0 ADAEHO C[C@@H]1[C@@H](N)c2ccccc2C[C@@]1(C)[NH3+] 238434987 573542378 /nfs/dbraw/zinc/54/23/78/573542378.db2.gz YZENEILPLCVJNO-GGZOMVNGSA-N 1 3 190.290 1.596 10 0 ADAEHO C[C@H](N1CCCC1)C(C)(C)[NH3+] 259500976 573544882 /nfs/dbraw/zinc/54/48/82/573544882.db2.gz YSNCXEHSAQNCCS-QMMMGPOBSA-N 1 3 156.273 1.208 10 0 ADAEHO C[C@@H](N1CCCC1)C(C)(C)[NH3+] 259500974 573544315 /nfs/dbraw/zinc/54/43/15/573544315.db2.gz YSNCXEHSAQNCCS-MRVPVSSYSA-N 1 3 156.273 1.208 10 0 ADAEHO [NH3+]Cc1cnccc1CN1CCCC1 257830240 573555742 /nfs/dbraw/zinc/55/57/42/573555742.db2.gz IYXQQIVNYYTNLA-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO C[C@@H]([C@H]1CCCNC1)[NH+]1CCCCC1 86663283 573555790 /nfs/dbraw/zinc/55/57/90/573555790.db2.gz BWZARMZAICLBNR-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CCC1CN([C@H](C)[C@@H]2CCC[NH2+]C2)C1 86663290 573555842 /nfs/dbraw/zinc/55/58/42/573555842.db2.gz DKEQYRWKKLROSL-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC1C[NH+]([C@H](C)[C@@H]2CCCNC2)C1 86663290 573555849 /nfs/dbraw/zinc/55/58/49/573555849.db2.gz DKEQYRWKKLROSL-ZYHUDNBSSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1CN([C@H](C)[C@@H]2CCC[NH2+]C2)C1 86663294 573555868 /nfs/dbraw/zinc/55/58/68/573555868.db2.gz VOXROWDEBZHVSX-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO CC1C[NH+]([C@H](C)[C@@H]2CCCNC2)C1 86663294 573555876 /nfs/dbraw/zinc/55/58/76/573555876.db2.gz VOXROWDEBZHVSX-GHMZBOCLSA-N 1 3 182.311 1.326 10 0 ADAEHO COc1ccc([C@@H](N)C[C@H](C)[NH3+])cc1 259505728 573555912 /nfs/dbraw/zinc/55/59/12/573555912.db2.gz UTGROECPGSKIIC-KWQFWETISA-N 1 3 194.278 1.432 10 0 ADAEHO CCC1C[NH+]([C@@H]2CCCC[C@@H]2N)C1 86663142 573555950 /nfs/dbraw/zinc/55/59/50/573555950.db2.gz KDHIJVMPIJAERP-WDEREUQCSA-N 1 3 182.311 1.598 10 0 ADAEHO COc1ccc([C@@H](N)C[C@@H](C)[NH3+])cc1 259505727 573555988 /nfs/dbraw/zinc/55/59/88/573555988.db2.gz UTGROECPGSKIIC-KCJUWKMLSA-N 1 3 194.278 1.432 10 0 ADAEHO C1CCC2(C1)C[NH+](C1CCNCC1)C2 86662939 573556006 /nfs/dbraw/zinc/55/60/06/573556006.db2.gz MFGPSSYKRCDQKN-UHFFFAOYSA-N 1 3 194.322 1.614 10 0 ADAEHO CC1(C)CC[C@H]1NC[C@](C)([NH3+])C1CC1 308620221 573556300 /nfs/dbraw/zinc/55/63/00/573556300.db2.gz SUXBCIKMQGVCGG-PWSUYJOCSA-N 1 3 196.338 1.892 10 0 ADAEHO CC1(C)CC[C@@H]1NC[C@@](C)([NH3+])C1CC1 308620219 573556328 /nfs/dbraw/zinc/55/63/28/573556328.db2.gz SUXBCIKMQGVCGG-CMPLNLGQSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@H](CC[NH3+])N1CC2(CCC2)C1 86681961 573567611 /nfs/dbraw/zinc/56/76/11/573567611.db2.gz PVSKBBNCVWABBK-SECBINFHSA-N 1 3 168.284 1.210 10 0 ADAEHO C[C@H](CC[NH3+])N1CC(C)(C)C1 86681910 573567721 /nfs/dbraw/zinc/56/77/21/573567721.db2.gz KVUDUDWILBYXOQ-MRVPVSSYSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[N@@H+]1CC[C@@H](C[C@@]2(C)NCCO2)C1 258781098 573567167 /nfs/dbraw/zinc/56/71/67/573567167.db2.gz XEGRCQPMNXFYRJ-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@@H](C[C@@]2(C)NCCO2)C1 258781098 573567173 /nfs/dbraw/zinc/56/71/73/573567173.db2.gz XEGRCQPMNXFYRJ-QWRGUYRKSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[C@@H](C1CC1)[NH+]1CCC(NC)CC1 308624409 573567184 /nfs/dbraw/zinc/56/71/84/573567184.db2.gz ZIOBMUUTEZOIID-LBPRGKRZSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H](C1CC1)N1CCC([NH2+]C)CC1 308624409 573567187 /nfs/dbraw/zinc/56/71/87/573567187.db2.gz ZIOBMUUTEZOIID-LBPRGKRZSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@@H]1CN 86679949 573567241 /nfs/dbraw/zinc/56/72/41/573567241.db2.gz GHZZWQWJVHDYCS-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@@H]1CN 86679949 573567245 /nfs/dbraw/zinc/56/72/45/573567245.db2.gz GHZZWQWJVHDYCS-GMTAPVOTSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H](CCN)[N@@H+]1CC[C@@H]1C 86682293 573567342 /nfs/dbraw/zinc/56/73/42/573567342.db2.gz FBEXFBFXIAFDAY-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](CCN)[N@H+]1CC[C@@H]1C 86682293 573567345 /nfs/dbraw/zinc/56/73/45/573567345.db2.gz FBEXFBFXIAFDAY-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC[C@@H](CC[NH3+])N1CC[C@@H]1C 86682293 573567352 /nfs/dbraw/zinc/56/73/52/573567352.db2.gz FBEXFBFXIAFDAY-IUCAKERBSA-N 1 3 156.273 1.208 10 0 ADAEHO CC1CN(Cc2ccc(C[NH3+])cc2)C1 86681837 573567411 /nfs/dbraw/zinc/56/74/11/573567411.db2.gz BHOISWZCGHGANX-UHFFFAOYSA-N 1 3 190.290 1.597 10 0 ADAEHO CNCC[C@H](C)[NH+]1C[C@H]2CCC[C@@H]2C1 126568303 573567468 /nfs/dbraw/zinc/56/74/68/573567468.db2.gz TWHSXIWNONIRKS-QJPTWQEYSA-N 1 3 196.338 1.716 10 0 ADAEHO [NH3+]C[C@H]1CCCC[C@H]1N1CC2(CC2)C1 86679990 573567482 /nfs/dbraw/zinc/56/74/82/573567482.db2.gz XOUZWROIOLRMJN-GHMZBOCLSA-N 1 3 194.322 1.600 10 0 ADAEHO C[NH2+]CC1([C@H](N)C(C)C)CCC1 259615667 573575169 /nfs/dbraw/zinc/57/51/69/573575169.db2.gz XQFZYHMEAOXMQP-SECBINFHSA-N 1 3 170.300 1.359 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@@H+]2CCCC[C@H]12 107404479 573575317 /nfs/dbraw/zinc/57/53/17/573575317.db2.gz CTQOYBWNWBBGLX-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@H](N)[C@H]1CC[N@H+]2CCCC[C@H]12 107404479 573575324 /nfs/dbraw/zinc/57/53/24/573575324.db2.gz CTQOYBWNWBBGLX-IVZWLZJFSA-N 1 3 168.284 1.208 10 0 ADAEHO N[C@]1(CC(F)F)CCC[NH2+]CC1 259518900 573588860 /nfs/dbraw/zinc/58/88/60/573588860.db2.gz ADONZPUZBIRWTB-MRVPVSSYSA-N 1 3 178.226 1.113 10 0 ADAEHO [NH3+][C@]1(CC(F)F)CCCNCC1 259518900 573588865 /nfs/dbraw/zinc/58/88/65/573588865.db2.gz ADONZPUZBIRWTB-MRVPVSSYSA-N 1 3 178.226 1.113 10 0 ADAEHO CC[C@H](C)[NH2+]CC[C@@H]1CCCCN1 258810720 573588945 /nfs/dbraw/zinc/58/89/45/573588945.db2.gz UIWFKQZBWPEEPW-QWRGUYRKSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@@H]1CCCCN1 259521685 573588956 /nfs/dbraw/zinc/58/89/56/573588956.db2.gz VVBVGIAPTDQXOE-ZJUUUORDSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H](C)[NH2+]CC[C@H]1CCCCN1 258810712 573589144 /nfs/dbraw/zinc/58/91/44/573589144.db2.gz UIWFKQZBWPEEPW-GHMZBOCLSA-N 1 3 184.327 1.907 10 0 ADAEHO CCc1ccc([C@@H](CC[NH3+])NC)cc1 259117380 573589203 /nfs/dbraw/zinc/58/92/03/573589203.db2.gz AHFRCIVPPBRZMY-GFCCVEGCSA-N 1 3 192.306 1.858 10 0 ADAEHO CC(C)C[C@H]([NH3+])[C@@H]1CCCCN1 259521682 573589206 /nfs/dbraw/zinc/58/92/06/573589206.db2.gz VVBVGIAPTDQXOE-UWVGGRQHSA-N 1 3 170.300 1.502 10 0 ADAEHO CCC(CC)C[NH2+]C[C@H](CC)CN 130463277 573589217 /nfs/dbraw/zinc/58/92/17/573589217.db2.gz POSVPMPAPIDQEM-LLVKDONJSA-N 1 3 186.343 1.997 10 0 ADAEHO CCC[C@H](CC(C)(C)N)[NH2+]C 259520308 573593578 /nfs/dbraw/zinc/59/35/78/573593578.db2.gz UCBCHZIZQZGQII-MRVPVSSYSA-N 1 3 158.289 1.502 10 0 ADAEHO C[C@@H]1C[N@H+](C)C[C@@H]2CCCC[C@@H]2N1 82394836 573592958 /nfs/dbraw/zinc/59/29/58/573592958.db2.gz WFDHDDXEXFYNDK-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@@H]1C[N@@H+](C)C[C@@H]2CCCC[C@@H]2N1 82394836 573592963 /nfs/dbraw/zinc/59/29/63/573592963.db2.gz WFDHDDXEXFYNDK-VWYCJHECSA-N 1 3 182.311 1.469 10 0 ADAEHO CC[C@](C)([NH3+])CNC(C)C 78724430 573592992 /nfs/dbraw/zinc/59/29/92/573592992.db2.gz APFJLGSHVRYWGE-QMMMGPOBSA-N 1 3 144.262 1.112 10 0 ADAEHO CC(C)C[C@@H]([NH3+])[C@H]1CCCCN1 259521679 573593064 /nfs/dbraw/zinc/59/30/64/573593064.db2.gz VVBVGIAPTDQXOE-NXEZZACHSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1 258810715 573593199 /nfs/dbraw/zinc/59/31/99/573593199.db2.gz UIWFKQZBWPEEPW-MNOVXSKESA-N 1 3 184.327 1.907 10 0 ADAEHO C[N@@H+]1CC[C@H](C[C@@H]2NCC(C)(C)O2)C1 258808912 573593227 /nfs/dbraw/zinc/59/32/27/573593227.db2.gz YGXMYTGIKMBMEY-NXEZZACHSA-N 1 3 198.310 1.053 10 0 ADAEHO C[N@H+]1CC[C@H](C[C@@H]2NCC(C)(C)O2)C1 258808912 573593234 /nfs/dbraw/zinc/59/32/34/573593234.db2.gz YGXMYTGIKMBMEY-NXEZZACHSA-N 1 3 198.310 1.053 10 0 ADAEHO CCC[C@H]([NH2+]C)C1(CNC)CCC1 259136557 573593463 /nfs/dbraw/zinc/59/34/63/573593463.db2.gz BVQMMFAGTGLROK-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CN[C@@H](c1ccccc1)[C@@H](C)C[NH3+] 259524442 573597546 /nfs/dbraw/zinc/59/75/46/573597546.db2.gz SJDRJFWRMBRPNB-GXSJLCMTSA-N 1 3 178.279 1.542 10 0 ADAEHO C[C@@H](C[NH3+])C[C@H](N)c1ccccn1 259138542 573597123 /nfs/dbraw/zinc/59/71/23/573597123.db2.gz CROSLSVFJLCAJK-BDAKNGLRSA-N 1 3 179.267 1.066 10 0 ADAEHO CC[C@@]1(CNCC(C)C)CCC[NH2+]1 215396668 573597184 /nfs/dbraw/zinc/59/71/84/573597184.db2.gz XSFNUYFDLTUZPS-NSHDSACASA-N 1 3 184.327 1.764 10 0 ADAEHO CNC[C@H](C)[N@@H+]1CCC[C@H]2CCC[C@@H]21 83702444 573597236 /nfs/dbraw/zinc/59/72/36/573597236.db2.gz PJMABVMIVDLBHC-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CNC[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 83702444 573597242 /nfs/dbraw/zinc/59/72/42/573597242.db2.gz PJMABVMIVDLBHC-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H](C[C@H](C)[NH3+])c1ccccc1C 259524371 573597277 /nfs/dbraw/zinc/59/72/77/573597277.db2.gz SISKTYDFMNWOAO-CMPLNLGQSA-N 1 3 192.306 1.993 10 0 ADAEHO CN[C@H](c1ccccc1)[C@H](C)C[NH3+] 259524446 573599801 /nfs/dbraw/zinc/59/98/01/573599801.db2.gz SJDRJFWRMBRPNB-KOLCDFICSA-N 1 3 178.279 1.542 10 0 ADAEHO CC[C@@H]1C[N@@H+]([C@@H]2CC23CC3)CCCN1 715319001 573611058 /nfs/dbraw/zinc/61/10/58/573611058.db2.gz JDMHCBQGEJRELT-GHMZBOCLSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@@H]1C[N@H+]([C@@H]2CC23CC3)CCCN1 715319001 573611062 /nfs/dbraw/zinc/61/10/62/573611062.db2.gz JDMHCBQGEJRELT-GHMZBOCLSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H](CC[NH+](C)C)Nc1nccn1C 50606504 573611094 /nfs/dbraw/zinc/61/10/94/573611094.db2.gz MIVMFSWAQJFRBA-SECBINFHSA-N 1 3 196.298 1.172 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@H]([C@@H](F)CN)C1 257835925 573599341 /nfs/dbraw/zinc/59/93/41/573599341.db2.gz KQRKFNMVFVAZAO-IUCAKERBSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@H]([C@@H](F)CN)C1 257835925 573599348 /nfs/dbraw/zinc/59/93/48/573599348.db2.gz KQRKFNMVFVAZAO-IUCAKERBSA-N 1 3 188.290 1.404 10 0 ADAEHO CNC[C@H]1CC[N@H+](CC(C)C)[C@H]1C 259139173 573599353 /nfs/dbraw/zinc/59/93/53/573599353.db2.gz DPANXERZNRWQJD-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CNC[C@H]1CC[N@@H+](CC(C)C)[C@H]1C 259139173 573599360 /nfs/dbraw/zinc/59/93/60/573599360.db2.gz DPANXERZNRWQJD-WDEREUQCSA-N 1 3 184.327 1.572 10 0 ADAEHO CN[C@H](C)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700510 573599432 /nfs/dbraw/zinc/59/94/32/573599432.db2.gz RABTTWJVYMFDNH-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(C)C[C@@H](C[NH2+]C)C(C)C 259139591 573599433 /nfs/dbraw/zinc/59/94/33/573599433.db2.gz ZNOUOHSPLKHRNG-SNVBAGLBSA-N 1 3 172.316 1.430 10 0 ADAEHO CN[C@H](C)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700510 573599438 /nfs/dbraw/zinc/59/94/38/573599438.db2.gz RABTTWJVYMFDNH-UTUOFQBUSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)[NH+]1CCC([C@H](F)CN)CC1 257836001 573599441 /nfs/dbraw/zinc/59/94/41/573599441.db2.gz KSIBNKFGTVVVTO-SNVBAGLBSA-N 1 3 188.290 1.404 10 0 ADAEHO CN[C@H](c1ccccc1)[C@@H](C)C[NH3+] 259524454 573599455 /nfs/dbraw/zinc/59/94/55/573599455.db2.gz SJDRJFWRMBRPNB-ONGXEEELSA-N 1 3 178.279 1.542 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@@H]([C@H](F)CN)C1 257835926 573599719 /nfs/dbraw/zinc/59/97/19/573599719.db2.gz KQRKFNMVFVAZAO-RKDXNWHRSA-N 1 3 188.290 1.404 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@@H]([C@H](F)CN)C1 257835926 573599725 /nfs/dbraw/zinc/59/97/25/573599725.db2.gz KQRKFNMVFVAZAO-RKDXNWHRSA-N 1 3 188.290 1.404 10 0 ADAEHO CCCC[C@@H]1CCCN1CC[NH3+] 75560553 573613023 /nfs/dbraw/zinc/61/30/23/573613023.db2.gz FEHFYELMESZZGV-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO C[NH2+]CCCCC1=CCN(C)CC1 258068464 573613104 /nfs/dbraw/zinc/61/31/04/573613104.db2.gz MCPHSXGQQMGDMY-UHFFFAOYSA-N 1 3 182.311 1.638 10 0 ADAEHO CN[C@H](c1ccccn1)[C@H](C)CC[NH3+] 259528120 573613114 /nfs/dbraw/zinc/61/31/14/573613114.db2.gz UNMSJFQJNYRXMD-KOLCDFICSA-N 1 3 193.294 1.327 10 0 ADAEHO CN[C@H](c1ccccn1)[C@@H](C)CC[NH3+] 259528127 573613218 /nfs/dbraw/zinc/61/32/18/573613218.db2.gz UNMSJFQJNYRXMD-ONGXEEELSA-N 1 3 193.294 1.327 10 0 ADAEHO CCCCN(C)C[C@H]1C[NH2+]CC12CC2 716004207 573613938 /nfs/dbraw/zinc/61/39/38/573613938.db2.gz XCICLTFLFHWRAS-LLVKDONJSA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+]C(C)(C)CNc1ccncc1 258823309 573614564 /nfs/dbraw/zinc/61/45/64/573614564.db2.gz GMWATBNAKFGAQE-UHFFFAOYSA-N 1 3 179.267 1.492 10 0 ADAEHO CC[C@H]1C[N@@H+]([C@H]2CC23CC3)CCCN1 715319037 573614137 /nfs/dbraw/zinc/61/41/37/573614137.db2.gz JDMHCBQGEJRELT-QWRGUYRKSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[C@H]1C[N@H+]([C@H]2CC23CC3)CCCN1 715319037 573614144 /nfs/dbraw/zinc/61/41/44/573614144.db2.gz JDMHCBQGEJRELT-QWRGUYRKSA-N 1 3 194.322 1.613 10 0 ADAEHO C[C@H]1CN[C@H]2CCC[C@H]2C[N@@H+]1C 82401770 573614427 /nfs/dbraw/zinc/61/44/27/573614427.db2.gz MTGCRBJTVWOBTM-GUBZILKMSA-N 1 3 168.284 1.079 10 0 ADAEHO C[C@H]1CN[C@H]2CCC[C@H]2C[N@H+]1C 82401770 573614434 /nfs/dbraw/zinc/61/44/34/573614434.db2.gz MTGCRBJTVWOBTM-GUBZILKMSA-N 1 3 168.284 1.079 10 0 ADAEHO C[N@@H+]1C[C@@H](CN)CC[C@@H]1C1CC1 107457288 573616353 /nfs/dbraw/zinc/61/63/53/573616353.db2.gz MFMBBBFRPNOKNK-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1C[C@@H](CN)CC[C@@H]1C1CC1 107457288 573616357 /nfs/dbraw/zinc/61/63/57/573616357.db2.gz MFMBBBFRPNOKNK-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO CN1C[C@@H](C[NH3+])CC[C@@H]1C1CC1 107457288 573616363 /nfs/dbraw/zinc/61/63/63/573616363.db2.gz MFMBBBFRPNOKNK-PSASIEDQSA-N 1 3 168.284 1.066 10 0 ADAEHO CC[C@@H]1CC[C@H](CN)C[N@@H+]1C 107455750 573615891 /nfs/dbraw/zinc/61/58/91/573615891.db2.gz NZUAPTKBQIJERD-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1CC[C@H](CN)C[N@H+]1C 107455750 573615896 /nfs/dbraw/zinc/61/58/96/573615896.db2.gz NZUAPTKBQIJERD-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC[C@@H]1CC[C@H](C[NH3+])CN1C 107455750 573615900 /nfs/dbraw/zinc/61/59/00/573615900.db2.gz NZUAPTKBQIJERD-RKDXNWHRSA-N 1 3 156.273 1.066 10 0 ADAEHO CC(F)(F)C[C@@]1(N)CCC[NH2+]CC1 259530571 573616573 /nfs/dbraw/zinc/61/65/73/573616573.db2.gz BCINMEGTVLMAPF-SECBINFHSA-N 1 3 192.253 1.503 10 0 ADAEHO CC(F)(F)C[C@@]1([NH3+])CCCNCC1 259530571 573616577 /nfs/dbraw/zinc/61/65/77/573616577.db2.gz BCINMEGTVLMAPF-SECBINFHSA-N 1 3 192.253 1.503 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1C[NH2+]CC12CC2 716003648 573616947 /nfs/dbraw/zinc/61/69/47/573616947.db2.gz ACLMRAURBIFSAH-ZJUUUORDSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@H]1CCN1C[C@H]1C[NH2+]CC12CC2 716003645 573617231 /nfs/dbraw/zinc/61/72/31/573617231.db2.gz ACLMRAURBIFSAH-VHSXEESVSA-N 1 3 180.295 1.080 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1C[NH2+]CC12CC2 716003638 573617250 /nfs/dbraw/zinc/61/72/50/573617250.db2.gz ACLMRAURBIFSAH-NXEZZACHSA-N 1 3 180.295 1.080 10 0 ADAEHO CN1C[C@H](C[NH3+])C[C@H]2CCC[C@@H]21 107457291 573617266 /nfs/dbraw/zinc/61/72/66/573617266.db2.gz KMFCTHVOCPTMPP-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@@H+]1C[C@H](CN)C[C@H]2CCC[C@@H]21 107457291 573617271 /nfs/dbraw/zinc/61/72/71/573617271.db2.gz KMFCTHVOCPTMPP-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO C[N@H+]1C[C@H](CN)C[C@H]2CCC[C@@H]21 107457291 573617275 /nfs/dbraw/zinc/61/72/75/573617275.db2.gz KMFCTHVOCPTMPP-AEJSXWLSSA-N 1 3 168.284 1.066 10 0 ADAEHO C[C@@H]([NH3+])CNCC(C)(C)c1cc[nH]c1 258823505 573621558 /nfs/dbraw/zinc/62/15/58/573621558.db2.gz ULVCQIZSLMHLNW-SECBINFHSA-N 1 3 195.310 1.229 10 0 ADAEHO CC(C)(C)[C@H](N)C[C@H]1CCC[NH2+]1 259530831 573621611 /nfs/dbraw/zinc/62/16/11/573621611.db2.gz WJOCMLFSCPQROQ-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[NH2+][C@H](C[C@H](C)N)C(C)(C)C 259131946 573621645 /nfs/dbraw/zinc/62/16/45/573621645.db2.gz AWBFBBDVQGQDRC-JGVFFNPUSA-N 1 3 158.289 1.358 10 0 ADAEHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(O)cc1 308658352 573621889 /nfs/dbraw/zinc/62/18/89/573621889.db2.gz OOPSWVKEKKOXBU-RKDXNWHRSA-N 1 3 194.278 1.218 10 0 ADAEHO CC(C)(C)[C@@H](N)C[C@H]1CCC[NH2+]1 259530818 573621938 /nfs/dbraw/zinc/62/19/38/573621938.db2.gz WJOCMLFSCPQROQ-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@H+](C)CCC1CC1 308643784 573621956 /nfs/dbraw/zinc/62/19/56/573621956.db2.gz GIIQDTIYFCDYRH-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO CNC[C@H](C)[C@H](C)[N@@H+](C)CCC1CC1 308643784 573621960 /nfs/dbraw/zinc/62/19/60/573621960.db2.gz GIIQDTIYFCDYRH-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+]C[C@H](C)[C@H](C)N(C)CCC1CC1 308643784 573621966 /nfs/dbraw/zinc/62/19/66/573621966.db2.gz GIIQDTIYFCDYRH-QWRGUYRKSA-N 1 3 198.354 1.962 10 0 ADAEHO C[C@H]([NH3+])CNCC(C)(C)c1cc[nH]c1 258823507 573621978 /nfs/dbraw/zinc/62/19/78/573621978.db2.gz ULVCQIZSLMHLNW-VIFPVBQESA-N 1 3 195.310 1.229 10 0 ADAEHO C[C@H](CN)C[NH2+]CC1CCCC1 258823539 573622241 /nfs/dbraw/zinc/62/22/41/573622241.db2.gz UMKRZFBWAQCIOY-SECBINFHSA-N 1 3 170.300 1.361 10 0 ADAEHO [NH3+]C[C@]1(NC2CCCC2)CCCOC1 83762258 573625300 /nfs/dbraw/zinc/62/53/00/573625300.db2.gz QFNUCBZWJBELMR-LLVKDONJSA-N 1 3 198.310 1.027 10 0 ADAEHO Cc1nc(C[C@@H]2CC[NH2+]C2)c(C)[nH]1 257834221 573625459 /nfs/dbraw/zinc/62/54/59/573625459.db2.gz KQHJLDJKLAUNOY-VIFPVBQESA-N 1 3 179.267 1.179 10 0 ADAEHO Cc1nc(C[C@H]2CC[NH2+]C2)c(C)[nH]1 257834218 573625538 /nfs/dbraw/zinc/62/55/38/573625538.db2.gz KQHJLDJKLAUNOY-SECBINFHSA-N 1 3 179.267 1.179 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])C[C@@H]2CCCCN21 238453457 573627081 /nfs/dbraw/zinc/62/70/81/573627081.db2.gz CMVNLSXZBYBZKJ-UTLUCORTSA-N 1 3 168.284 1.351 10 0 ADAEHO CN[C@H](c1cccs1)C(C)(C)C[NH3+] 259533833 573627217 /nfs/dbraw/zinc/62/72/17/573627217.db2.gz SYWICVXAUIZOKY-SECBINFHSA-N 1 3 198.335 1.994 10 0 ADAEHO C[NH2+][C@H](c1cccs1)C(C)(C)CN 259533833 573627220 /nfs/dbraw/zinc/62/72/20/573627220.db2.gz SYWICVXAUIZOKY-SECBINFHSA-N 1 3 198.335 1.994 10 0 ADAEHO CN1CCCC[NH2+]C(C)(C)C1 259532889 573627303 /nfs/dbraw/zinc/62/73/03/573627303.db2.gz WDBCFBWZVPOPSB-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@@H+]1CCCCNC(C)(C)C1 259532889 573627309 /nfs/dbraw/zinc/62/73/09/573627309.db2.gz WDBCFBWZVPOPSB-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C[N@H+]1CCCCNC(C)(C)C1 259532889 573627313 /nfs/dbraw/zinc/62/73/13/573627313.db2.gz WDBCFBWZVPOPSB-UHFFFAOYSA-N 1 3 156.273 1.080 10 0 ADAEHO C1C[NH2+]C[C@H](CN[C@H]2CC23CC3)C1 715322785 573627347 /nfs/dbraw/zinc/62/73/47/573627347.db2.gz WFHUQKFLAIJXML-ZJUUUORDSA-N 1 3 180.295 1.128 10 0 ADAEHO C[C@H](CN)[C@@H]([NH+](C)C)C(C)(C)C 259532511 573627451 /nfs/dbraw/zinc/62/74/51/573627451.db2.gz NIJIONORGPXWSZ-RKDXNWHRSA-N 1 3 172.316 1.558 10 0 ADAEHO C[C@H](C[NH3+])[C@@H](N(C)C)C(C)(C)C 259532511 573627456 /nfs/dbraw/zinc/62/74/56/573627456.db2.gz NIJIONORGPXWSZ-RKDXNWHRSA-N 1 3 172.316 1.558 10 0 ADAEHO CN[C@@H](c1cccs1)C(C)(C)C[NH3+] 259533835 573627693 /nfs/dbraw/zinc/62/76/93/573627693.db2.gz SYWICVXAUIZOKY-VIFPVBQESA-N 1 3 198.335 1.994 10 0 ADAEHO C[NH2+][C@@H](c1cccs1)C(C)(C)CN 259533835 573627700 /nfs/dbraw/zinc/62/77/00/573627700.db2.gz SYWICVXAUIZOKY-VIFPVBQESA-N 1 3 198.335 1.994 10 0 ADAEHO CCC[N@@H+]1C[C@@H](CNC)CC1(C)C 259534891 573629924 /nfs/dbraw/zinc/62/99/24/573629924.db2.gz WHFJNKZZRYIJPI-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1C[C@@H](CNC)CC1(C)C 259534891 573629928 /nfs/dbraw/zinc/62/99/28/573629928.db2.gz WHFJNKZZRYIJPI-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@](C)([NH3+])CN1CCCC1 86808725 573629943 /nfs/dbraw/zinc/62/99/43/573629943.db2.gz CKBGTEHZFQBCMW-SECBINFHSA-N 1 3 156.273 1.210 10 0 ADAEHO Cc1ccc([C@H](N)CC[C@H](C)[NH3+])o1 259532707 573630004 /nfs/dbraw/zinc/63/00/04/573630004.db2.gz WLXFXLIUQXZNRA-IONNQARKSA-N 1 3 182.267 1.715 10 0 ADAEHO CC[C@@H](C)[C@H]([NH3+])CN[C@@H]1C[C@H]1CC 393543427 573630493 /nfs/dbraw/zinc/63/04/93/573630493.db2.gz AGGWAXJHRPFRAS-GWOFURMSSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@](C)([NH3+])CN[C@@H]1C[C@@H]1C 86810168 573631438 /nfs/dbraw/zinc/63/14/38/573631438.db2.gz UHVRLFPBGXININ-YIZRAAEISA-N 1 3 156.273 1.112 10 0 ADAEHO CC(C)CCC[NH2+]CC1CNC1 258826320 573631457 /nfs/dbraw/zinc/63/14/57/573631457.db2.gz FRZQIDZOJZEAKH-UHFFFAOYSA-N 1 3 170.300 1.232 10 0 ADAEHO CCc1ccc([C@H](N)C[C@@H](C)[NH3+])cc1 259144251 573631485 /nfs/dbraw/zinc/63/14/85/573631485.db2.gz CWNVKWUUAPYTSI-BXKDBHETSA-N 1 3 192.306 1.986 10 0 ADAEHO CCC(CC)NC[C@@]1(C)CCC[NH2+]1 393544437 573631507 /nfs/dbraw/zinc/63/15/07/573631507.db2.gz BYIVLENCVGJGNF-LLVKDONJSA-N 1 3 184.327 1.907 10 0 ADAEHO CCC(CC)[NH2+]C[C@@]1(C)CCCN1 393544437 573631510 /nfs/dbraw/zinc/63/15/10/573631510.db2.gz BYIVLENCVGJGNF-LLVKDONJSA-N 1 3 184.327 1.907 10 0 ADAEHO [NH3+][C@@H]1CNCC[C@@H]1Cc1ccccc1 223674794 573631552 /nfs/dbraw/zinc/63/15/52/573631552.db2.gz AQIMFLQVFRYESV-VXGBXAGGSA-N 1 3 190.290 1.166 10 0 ADAEHO CCc1ccc([C@@H](N)C[C@H](C)[NH3+])cc1 259144254 573631679 /nfs/dbraw/zinc/63/16/79/573631679.db2.gz CWNVKWUUAPYTSI-CABZTGNLSA-N 1 3 192.306 1.986 10 0 ADAEHO CCc1ccc([C@@H](N)C[C@@H](C)[NH3+])cc1 259144258 573631842 /nfs/dbraw/zinc/63/18/42/573631842.db2.gz CWNVKWUUAPYTSI-SKDRFNHKSA-N 1 3 192.306 1.986 10 0 ADAEHO CC[N@H+](C)C[C@@](C)(N)CC 86808974 573631904 /nfs/dbraw/zinc/63/19/04/573631904.db2.gz PCFPZRCTJVYXFM-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[N@@H+](C)C[C@@](C)(N)CC 86808974 573631908 /nfs/dbraw/zinc/63/19/08/573631908.db2.gz PCFPZRCTJVYXFM-QMMMGPOBSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[N@H+](C)C[C@](C)(N)CC 86808976 573631926 /nfs/dbraw/zinc/63/19/26/573631926.db2.gz PCFPZRCTJVYXFM-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[N@@H+](C)C[C@](C)(N)CC 86808976 573631930 /nfs/dbraw/zinc/63/19/30/573631930.db2.gz PCFPZRCTJVYXFM-MRVPVSSYSA-N 1 3 144.262 1.066 10 0 ADAEHO CC[C@@](C)([NH3+])CNC1CCC1 86810164 573634515 /nfs/dbraw/zinc/63/45/15/573634515.db2.gz VXWHFXHBDHFSGU-SECBINFHSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@](C)([NH3+])CN[C@H]1C[C@@H]1C 86810174 573634575 /nfs/dbraw/zinc/63/45/75/573634575.db2.gz UHVRLFPBGXININ-CIUDSAMLSA-N 1 3 156.273 1.112 10 0 ADAEHO CC[C@@](C)(N)C[NH2+]Cc1ccccc1 86809349 573635013 /nfs/dbraw/zinc/63/50/13/573635013.db2.gz PNBZCQMBGFUVGK-GFCCVEGCSA-N 1 3 192.306 1.904 10 0 ADAEHO [NH3+]CCCn1ccc2cnccc21 258073689 573635099 /nfs/dbraw/zinc/63/50/99/573635099.db2.gz HRZRDDRIRSFPDQ-UHFFFAOYSA-N 1 3 175.235 1.385 10 0 ADAEHO [NH3+][C@H]1CCC[C@@H]1NCCc1cc[nH]c1 258826428 573636576 /nfs/dbraw/zinc/63/65/76/573636576.db2.gz DCBBRYRQUJBRFS-QWRGUYRKSA-N 1 3 193.294 1.027 10 0 ADAEHO C[C@@H](c1c[nH]c(CN)c1)[NH+]1CCCC1 257835066 573635875 /nfs/dbraw/zinc/63/58/75/573635875.db2.gz KNTOBNINEZVKGP-VIFPVBQESA-N 1 3 193.294 1.630 10 0 ADAEHO [NH3+][C@H]1CCC[C@H]1NCCc1cc[nH]c1 258826429 573635967 /nfs/dbraw/zinc/63/59/67/573635967.db2.gz DCBBRYRQUJBRFS-WDEREUQCSA-N 1 3 193.294 1.027 10 0 ADAEHO [NH3+][C@@H]1CCC[C@H]1NCCc1cc[nH]c1 258826425 573636107 /nfs/dbraw/zinc/63/61/07/573636107.db2.gz DCBBRYRQUJBRFS-GHMZBOCLSA-N 1 3 193.294 1.027 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@@H](C)N(C)C 259536105 573636410 /nfs/dbraw/zinc/63/64/10/573636410.db2.gz NMEHJSQSOLDPBF-ZJUUUORDSA-N 1 3 172.316 1.428 10 0 ADAEHO C[C@@H](CCC(F)(F)F)[NH2+]CCCN 308652607 573637917 /nfs/dbraw/zinc/63/79/17/573637917.db2.gz LRTSVNQSKJJPFK-ZETCQYMHSA-N 1 3 198.232 1.656 10 0 ADAEHO CNCC[C@H](CC(C)C)[NH2+]C 259145929 573637281 /nfs/dbraw/zinc/63/72/81/573637281.db2.gz BIGBKXWVMGMTES-SECBINFHSA-N 1 3 158.289 1.230 10 0 ADAEHO C[C@H](CCC(F)(F)F)[NH2+]CCCN 308652605 573637349 /nfs/dbraw/zinc/63/73/49/573637349.db2.gz LRTSVNQSKJJPFK-SSDOTTSWSA-N 1 3 198.232 1.656 10 0 ADAEHO C[NH2+][C@H](C1CCCC1)C(C)(C)CN 259536213 573637515 /nfs/dbraw/zinc/63/75/15/573637515.db2.gz UWUZAPGRYNDVOJ-SNVBAGLBSA-N 1 3 184.327 1.750 10 0 ADAEHO C1CCC(CC[NH2+]CC2CNC2)CC1 258828264 573637841 /nfs/dbraw/zinc/63/78/41/573637841.db2.gz FYQIVBDPWMDOBE-UHFFFAOYSA-N 1 3 196.338 1.766 10 0 ADAEHO CN[C@@H](CC(C)C)C(C)(C)[NH2+]C 259148417 573640274 /nfs/dbraw/zinc/64/02/74/573640274.db2.gz CJWMIOHYJSZZFZ-VIFPVBQESA-N 1 3 172.316 1.619 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](NC)C1(C)C 259536418 573640378 /nfs/dbraw/zinc/64/03/78/573640378.db2.gz WHNMCRNBVUPWQW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO CCCC[N@H+]1CC[C@H](NC)C1(C)C 259536418 573640379 /nfs/dbraw/zinc/64/03/79/573640379.db2.gz WHNMCRNBVUPWQW-JTQLQIEISA-N 1 3 184.327 1.859 10 0 ADAEHO [NH3+]C[C@]1(F)CCN(C2CCCC2)C1 259538718 573640455 /nfs/dbraw/zinc/64/04/55/573640455.db2.gz BQNGPRMYDSLRGE-SNVBAGLBSA-N 1 3 186.274 1.302 10 0 ADAEHO [NH3+]C[C@@]1(F)CCN(C2CCCC2)C1 259538709 573640562 /nfs/dbraw/zinc/64/05/62/573640562.db2.gz BQNGPRMYDSLRGE-JTQLQIEISA-N 1 3 186.274 1.302 10 0 ADAEHO CC(C)([NH3+])CC[C@@H](N)c1ccccn1 259541626 573643174 /nfs/dbraw/zinc/64/31/74/573643174.db2.gz XAHCDDGBIRKVOI-SECBINFHSA-N 1 3 193.294 1.599 10 0 ADAEHO CC[C@H]1C[NH2+]C[C@H](CN)C12CCC2 107781321 573643338 /nfs/dbraw/zinc/64/33/38/573643338.db2.gz RVDJKEMJGWWXHY-UWVGGRQHSA-N 1 3 182.311 1.361 10 0 ADAEHO C[C@@H]([NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1)C1CNC1 686247673 573643384 /nfs/dbraw/zinc/64/33/84/573643384.db2.gz ADZDSNHLCYYSFR-CHWFTXMASA-N 1 3 194.322 1.230 10 0 ADAEHO CN[C@H](C[C@@H]1CCC[NH2+]1)C(C)(C)C 259539494 573647125 /nfs/dbraw/zinc/64/71/25/573647125.db2.gz VCWVKCKZWIMCCN-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[C@@H]1CCC[C@H]1C[NH2+]CC(C)(C)CN 308654712 573647236 /nfs/dbraw/zinc/64/72/36/573647236.db2.gz MSXQNMNVOLNPRS-MNOVXSKESA-N 1 3 198.354 1.997 10 0 ADAEHO CN1C[C@H](C[NH3+])[C@H](CC(C)(F)F)C1 259541118 573647299 /nfs/dbraw/zinc/64/72/99/573647299.db2.gz BTUDHQGRHWHNTC-SFYZADRCSA-N 1 3 192.253 1.168 10 0 ADAEHO C[C@H]1CCC[C@H]1C[NH2+]CC(C)(C)CN 308654713 573647349 /nfs/dbraw/zinc/64/73/49/573647349.db2.gz MSXQNMNVOLNPRS-QWRGUYRKSA-N 1 3 198.354 1.997 10 0 ADAEHO CC(C)C[N@H+](C)C(C)(C)CCN 258828602 573647803 /nfs/dbraw/zinc/64/78/03/573647803.db2.gz MCGQRCGFWWMJKR-UHFFFAOYSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)C[N@@H+](C)C(C)(C)CCN 258828602 573647807 /nfs/dbraw/zinc/64/78/07/573647807.db2.gz MCGQRCGFWWMJKR-UHFFFAOYSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC(C)(C)CC[NH2+]CCCN 393546154 573647914 /nfs/dbraw/zinc/64/79/14/573647914.db2.gz GSHZHYQEESCSKJ-UHFFFAOYSA-N 1 3 172.316 1.751 10 0 ADAEHO CNCC1(C[NH2+]C2CCC2)CC1 258828988 573648648 /nfs/dbraw/zinc/64/86/48/573648648.db2.gz CYIPZVNILFRBCQ-UHFFFAOYSA-N 1 3 168.284 1.128 10 0 ADAEHO C[NH2+]CC1(CNC2CCC2)CC1 258828988 573648656 /nfs/dbraw/zinc/64/86/56/573648656.db2.gz CYIPZVNILFRBCQ-UHFFFAOYSA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@@H]1C[NH2+][C@@H](CC2CCN(C)CC2)O1 258833708 573649248 /nfs/dbraw/zinc/64/92/48/573649248.db2.gz ZGESFMGMQAWENI-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@@H](CC2CC[NH+](C)CC2)O1 258833708 573649252 /nfs/dbraw/zinc/64/92/52/573649252.db2.gz ZGESFMGMQAWENI-MWLCHTKSSA-N 1 3 198.310 1.053 10 0 ADAEHO Cc1ccc([C@@H](N)[C@H](C)CC[NH3+])o1 259539744 573649262 /nfs/dbraw/zinc/64/92/62/573649262.db2.gz WYYNUGIVFMBBOP-XCBNKYQSSA-N 1 3 182.267 1.573 10 0 ADAEHO C[C@@H]1C[NH2+][C@H](CC2CCN(C)CC2)O1 258833694 573649301 /nfs/dbraw/zinc/64/93/01/573649301.db2.gz ZGESFMGMQAWENI-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CN[C@H](CC2CC[NH+](C)CC2)O1 258833694 573649307 /nfs/dbraw/zinc/64/93/07/573649307.db2.gz ZGESFMGMQAWENI-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+][C@@H]1[C@H](CN(C)C)CCCC1(C)C 86850888 573649311 /nfs/dbraw/zinc/64/93/11/573649311.db2.gz VTPCMOLDZZBYQA-WDEREUQCSA-N 1 3 198.354 1.962 10 0 ADAEHO C[NH2+][C@@H]1[C@@H](CN(C)C)CCCC1(C)C 86850886 573651567 /nfs/dbraw/zinc/65/15/67/573651567.db2.gz VTPCMOLDZZBYQA-GHMZBOCLSA-N 1 3 198.354 1.962 10 0 ADAEHO CC1(C)C[NH2+][C@@H](CCN2CCCC2)O1 258837426 573651868 /nfs/dbraw/zinc/65/18/68/573651868.db2.gz ZHVDWHBOESLVIT-SNVBAGLBSA-N 1 3 198.310 1.197 10 0 ADAEHO C[C@H]1CCC[N@H+](CCC2(N)CCC2)C1 86853802 573652920 /nfs/dbraw/zinc/65/29/20/573652920.db2.gz DJECRDUVZJLGTR-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H]1CCC[N@@H+](CCC2(N)CCC2)C1 86853802 573652926 /nfs/dbraw/zinc/65/29/26/573652926.db2.gz DJECRDUVZJLGTR-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO C[C@H]1CCCN(CCC2([NH3+])CCC2)C1 86853802 573652929 /nfs/dbraw/zinc/65/29/29/573652929.db2.gz DJECRDUVZJLGTR-NSHDSACASA-N 1 3 196.338 1.990 10 0 ADAEHO CCN(C)CCC1([NH3+])CCC1 86853831 573652976 /nfs/dbraw/zinc/65/29/76/573652976.db2.gz FOXJVWRDESEXIN-UHFFFAOYSA-N 1 3 156.273 1.210 10 0 ADAEHO CC1(C)C[NH2+][C@H](CCN2CCCC2)O1 258837416 573653035 /nfs/dbraw/zinc/65/30/35/573653035.db2.gz ZHVDWHBOESLVIT-JTQLQIEISA-N 1 3 198.310 1.197 10 0 ADAEHO CN[C@@H]1[C@@H]([NH+]2CCCC2)CCC1(C)C 86855880 573653069 /nfs/dbraw/zinc/65/30/69/573653069.db2.gz YTYXFLUFFHTGOG-WDEREUQCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCN(CC)C[C@@H]1C[NH2+]CC[C@H]1F 257841615 573654762 /nfs/dbraw/zinc/65/47/62/573654762.db2.gz MICYLKNEGMETKA-VHSXEESVSA-N 1 3 188.290 1.276 10 0 ADAEHO CC[NH2+]Cc1ccc2c(c1)CCNC2 107805583 573654818 /nfs/dbraw/zinc/65/48/18/573654818.db2.gz LCJAXCJUKLYXCP-UHFFFAOYSA-N 1 3 190.290 1.442 10 0 ADAEHO CC1(C)C[C@H]([C@H]2CCCCN2)C[NH2+]1 258081055 573654833 /nfs/dbraw/zinc/65/48/33/573654833.db2.gz FWQWSPVZJZBGGY-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO CCN(C)[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86856086 573654940 /nfs/dbraw/zinc/65/49/40/573654940.db2.gz OMFQWZHQCOJUCC-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO CN[C@H]1[C@H]([NH+]2CCCC2)CCC1(C)C 86855879 573654963 /nfs/dbraw/zinc/65/49/63/573654963.db2.gz YTYXFLUFFHTGOG-MNOVXSKESA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@]1([NH3+])Cc2ccccc2[C@@H](N)C1 238458708 573655070 /nfs/dbraw/zinc/65/50/70/573655070.db2.gz HYKSGMPNSUENNM-WDEREUQCSA-N 1 3 176.263 1.350 10 0 ADAEHO CC(C)[NH+]1CCC([C@H]2NCCO2)CC1 258082131 573655286 /nfs/dbraw/zinc/65/52/86/573655286.db2.gz IKJZEOBWOSBQJN-NSHDSACASA-N 1 3 198.310 1.053 10 0 ADAEHO CC(C)(C)NC[C@@]1(F)CCC[NH2+]C1 257841590 573655363 /nfs/dbraw/zinc/65/53/63/573655363.db2.gz MHHLWURVWJRMSD-SNVBAGLBSA-N 1 3 188.290 1.466 10 0 ADAEHO CC(C)(C)C(C)(C)C[NH2+]CCCN 258837165 573655447 /nfs/dbraw/zinc/65/54/47/573655447.db2.gz VVAMGQFXDIWYQJ-UHFFFAOYSA-N 1 3 186.343 1.997 10 0 ADAEHO CN1CCC[C@@H]1C1([NH3+])CCCCC1 258083658 573655479 /nfs/dbraw/zinc/65/54/79/573655479.db2.gz QZOGBFHQLFEJBS-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@@H+]1CCC[C@@H]1C1(N)CCCCC1 258083658 573655487 /nfs/dbraw/zinc/65/54/87/573655487.db2.gz QZOGBFHQLFEJBS-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@H+]1CCC[C@@H]1C1(N)CCCCC1 258083658 573655494 /nfs/dbraw/zinc/65/54/94/573655494.db2.gz QZOGBFHQLFEJBS-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO CN1CCC[C@H]1C1([NH3+])CCCCC1 258083655 573657454 /nfs/dbraw/zinc/65/74/54/573657454.db2.gz QZOGBFHQLFEJBS-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@@H+]1CCC[C@H]1C1(N)CCCCC1 258083655 573657459 /nfs/dbraw/zinc/65/74/59/573657459.db2.gz QZOGBFHQLFEJBS-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@H+]1CCC[C@H]1C1(N)CCCCC1 258083655 573657465 /nfs/dbraw/zinc/65/74/65/573657465.db2.gz QZOGBFHQLFEJBS-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@@H]([NH3+])CCN(C)CCc1cc[nH]c1 258846172 573657714 /nfs/dbraw/zinc/65/77/14/573657714.db2.gz WUGPFVHPWOKQNE-SNVBAGLBSA-N 1 3 195.310 1.226 10 0 ADAEHO CC(C)(C)C(C)(C)C[NH2+]CC1CNC1 258850174 573658130 /nfs/dbraw/zinc/65/81/30/573658130.db2.gz HRMAOHYATXWBRJ-UHFFFAOYSA-N 1 3 198.354 1.868 10 0 ADAEHO C[C@H]([NH3+])CCN(C)CCc1cc[nH]c1 258846167 573658275 /nfs/dbraw/zinc/65/82/75/573658275.db2.gz WUGPFVHPWOKQNE-JTQLQIEISA-N 1 3 195.310 1.226 10 0 ADAEHO CC1(C)CCC[C@@H]1[NH+]1CCC(N)CC1 86866643 573658355 /nfs/dbraw/zinc/65/83/55/573658355.db2.gz QDTZKXWWPMDPQD-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCC[C@@H]1N1CCC([NH3+])CC1 86866643 573658360 /nfs/dbraw/zinc/65/83/60/573658360.db2.gz QDTZKXWWPMDPQD-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)CCC1CC1 308410419 573662881 /nfs/dbraw/zinc/66/28/81/573662881.db2.gz OBIWRDJUSSVCKI-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)CCC1CC1 308410419 573662885 /nfs/dbraw/zinc/66/28/85/573662885.db2.gz OBIWRDJUSSVCKI-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N(C)CCC1CC1 308410419 573662889 /nfs/dbraw/zinc/66/28/89/573662889.db2.gz OBIWRDJUSSVCKI-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](C[NH3+])CN(C)CCc1cc[nH]c1 258857280 573663122 /nfs/dbraw/zinc/66/31/22/573663122.db2.gz YDADPKKBVOPHGT-JTQLQIEISA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)CCc1cc[nH]c1 258857280 573663126 /nfs/dbraw/zinc/66/31/26/573663126.db2.gz YDADPKKBVOPHGT-JTQLQIEISA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)CCc1cc[nH]c1 258857280 573663132 /nfs/dbraw/zinc/66/31/32/573663132.db2.gz YDADPKKBVOPHGT-JTQLQIEISA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@H](C[NH3+])CCN(C)Cc1ccc[nH]1 258861452 573663287 /nfs/dbraw/zinc/66/32/87/573663287.db2.gz IUBYZLCTPGDFEW-JTQLQIEISA-N 1 3 195.310 1.431 10 0 ADAEHO C[C@@H](C[NH3+])CCN(C)Cc1ccc[nH]1 258861456 573663453 /nfs/dbraw/zinc/66/34/53/573663453.db2.gz IUBYZLCTPGDFEW-SNVBAGLBSA-N 1 3 195.310 1.431 10 0 ADAEHO C[NH2+][C@@H]1[C@@H](CN(C)C)CCC1(C)C 86871169 573665097 /nfs/dbraw/zinc/66/50/97/573665097.db2.gz PSJKNQWMMKASPO-NXEZZACHSA-N 1 3 184.327 1.572 10 0 ADAEHO CCN(C)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871232 573665199 /nfs/dbraw/zinc/66/51/99/573665199.db2.gz WAXBHAWSLPLSEC-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@H+](C)C[C@H]1CCC(C)(C)[C@@H]1N 86871232 573665206 /nfs/dbraw/zinc/66/52/06/573665206.db2.gz WAXBHAWSLPLSEC-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[N@@H+](C)C[C@H]1CCC(C)(C)[C@@H]1N 86871232 573665211 /nfs/dbraw/zinc/66/52/11/573665211.db2.gz WAXBHAWSLPLSEC-NXEZZACHSA-N 1 3 184.327 1.702 10 0 ADAEHO CN(C)C[C@H]1CCC(C)(C)[C@H]1[NH3+] 86871181 573665452 /nfs/dbraw/zinc/66/54/52/573665452.db2.gz MVNCKRQLBXDEQQ-BDAKNGLRSA-N 1 3 170.300 1.312 10 0 ADAEHO CC1(C)CC[C@H](C[NH+]2CCCC2)[C@H]1N 86871016 573665477 /nfs/dbraw/zinc/66/54/77/573665477.db2.gz VBCQLVVHDCCZTH-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO Cc1cccc(CCNC[C@H](C)[NH3+])c1 258857443 573667537 /nfs/dbraw/zinc/66/75/37/573667537.db2.gz YFWVUULPIGYREK-NSHDSACASA-N 1 3 192.306 1.474 10 0 ADAEHO C[NH2+][C@@H](C)C[C@H]1CCCCN1 83823577 573667118 /nfs/dbraw/zinc/66/71/18/573667118.db2.gz FTCNBVIZGWKZFF-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO CN[C@@H](C)C[C@H]1CCCC[NH2+]1 83823577 573667125 /nfs/dbraw/zinc/66/71/25/573667125.db2.gz FTCNBVIZGWKZFF-DTWKUNHWSA-N 1 3 156.273 1.127 10 0 ADAEHO C[NH2+][C@@H]1[C@H](CN(C)C)CCC1(C)C 86871171 573667229 /nfs/dbraw/zinc/66/72/29/573667229.db2.gz PSJKNQWMMKASPO-VHSXEESVSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H](C[NH3+])CN(C)CCc1cc[nH]c1 258857282 573667456 /nfs/dbraw/zinc/66/74/56/573667456.db2.gz YDADPKKBVOPHGT-SNVBAGLBSA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@H](CN)C[N@H+](C)CCc1cc[nH]c1 258857282 573667465 /nfs/dbraw/zinc/66/74/65/573667465.db2.gz YDADPKKBVOPHGT-SNVBAGLBSA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)CCc1cc[nH]c1 258857282 573667472 /nfs/dbraw/zinc/66/74/72/573667472.db2.gz YDADPKKBVOPHGT-SNVBAGLBSA-N 1 3 195.310 1.084 10 0 ADAEHO C[C@@H]1C[C@@H]2[NH2+]CCC[C@@]2(C)[C@@H](C)N1C 238474445 573667793 /nfs/dbraw/zinc/66/77/93/573667793.db2.gz USJQAVDSMPKXDA-WYUUTHIRSA-N 1 3 196.338 1.857 10 0 ADAEHO Cc1cccc(CCNC[C@@H](C)[NH3+])c1 258857441 573667798 /nfs/dbraw/zinc/66/77/98/573667798.db2.gz YFWVUULPIGYREK-LLVKDONJSA-N 1 3 192.306 1.474 10 0 ADAEHO C[C@@H]1C[C@@H]2NCCC[C@@]2(C)[C@@H](C)[N@@H+]1C 238474445 573667802 /nfs/dbraw/zinc/66/78/02/573667802.db2.gz USJQAVDSMPKXDA-WYUUTHIRSA-N 1 3 196.338 1.857 10 0 ADAEHO C[C@@H]1C[C@@H]2NCCC[C@@]2(C)[C@@H](C)[N@H+]1C 238474445 573667811 /nfs/dbraw/zinc/66/78/11/573667811.db2.gz USJQAVDSMPKXDA-WYUUTHIRSA-N 1 3 196.338 1.857 10 0 ADAEHO CC1(C)CC[C@@H](C[NH+]2CCCC2)[C@H]1N 86871018 573667901 /nfs/dbraw/zinc/66/79/01/573667901.db2.gz VBCQLVVHDCCZTH-WDEREUQCSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+](C)CCC1CC1 308661752 573668275 /nfs/dbraw/zinc/66/82/75/573668275.db2.gz QGSXRBQNNKIUNC-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)CCC1CC1 308661752 573668280 /nfs/dbraw/zinc/66/82/80/573668280.db2.gz QGSXRBQNNKIUNC-CMPLNLGQSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]([NH3+])CNCCc1cccc(F)c1 258863820 573668384 /nfs/dbraw/zinc/66/83/84/573668384.db2.gz YYIMKXQDALUSKA-VIFPVBQESA-N 1 3 196.269 1.305 10 0 ADAEHO C[NH2+][C@H](C)C[C@H]1CCCCN1 83823581 573668424 /nfs/dbraw/zinc/66/84/24/573668424.db2.gz FTCNBVIZGWKZFF-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO CN[C@H](C)C[C@H]1CCCC[NH2+]1 83823581 573668429 /nfs/dbraw/zinc/66/84/29/573668429.db2.gz FTCNBVIZGWKZFF-RKDXNWHRSA-N 1 3 156.273 1.127 10 0 ADAEHO C[C@H](N[C@H](C)CC(F)F)C1C[NH2+]C1 686248447 573668489 /nfs/dbraw/zinc/66/84/89/573668489.db2.gz OEIFMORRIMQARC-RQJHMYQMSA-N 1 3 192.253 1.228 10 0 ADAEHO C[C@H]([NH2+][C@H](C)CC(F)F)C1CNC1 686248447 573668496 /nfs/dbraw/zinc/66/84/96/573668496.db2.gz OEIFMORRIMQARC-RQJHMYQMSA-N 1 3 192.253 1.228 10 0 ADAEHO CN(C)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871186 573668531 /nfs/dbraw/zinc/66/85/31/573668531.db2.gz MVNCKRQLBXDEQQ-RKDXNWHRSA-N 1 3 170.300 1.312 10 0 ADAEHO C[NH2+]C(C)(C)CN(C)c1ccncc1 258870688 573675570 /nfs/dbraw/zinc/67/55/70/573675570.db2.gz KYZVPJIJRBSONZ-UHFFFAOYSA-N 1 3 193.294 1.516 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CC1CCC1 83839346 573675842 /nfs/dbraw/zinc/67/58/42/573675842.db2.gz PNGQIFBLPCALOV-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CC1CCC1 83839346 573675847 /nfs/dbraw/zinc/67/58/47/573675847.db2.gz PNGQIFBLPCALOV-ZYHUDNBSSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]1CN(c2ccncc2)CC[C@@H]1[NH3+] 86887143 573678545 /nfs/dbraw/zinc/67/85/45/573678545.db2.gz IHPKGEAYDVRGMK-KOLCDFICSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@H]([NH2+]C[C@@]1(C)CC1(C)C)C1CNC1 686248825 573678576 /nfs/dbraw/zinc/67/85/76/573678576.db2.gz RUAUFTPSQDZWBN-JOYOIKCWSA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]1CNC(C)(C)C[C@@H](C)[NH2+]1 238468850 573678598 /nfs/dbraw/zinc/67/85/98/573678598.db2.gz FMOQQWIPJBEVPI-SFYZADRCSA-N 1 3 156.273 1.125 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CC1CCC1 83839348 573678675 /nfs/dbraw/zinc/67/86/75/573678675.db2.gz PNGQIFBLPCALOV-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CC1CCC1 83839348 573678681 /nfs/dbraw/zinc/67/86/81/573678681.db2.gz PNGQIFBLPCALOV-CMPLNLGQSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H]([NH3+])CCCCNCc1ccoc1 130809237 573678888 /nfs/dbraw/zinc/67/88/88/573678888.db2.gz CKMMXGFXTYRIHW-SNVBAGLBSA-N 1 3 196.294 1.887 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CC1CCC1 83839352 573678915 /nfs/dbraw/zinc/67/89/15/573678915.db2.gz PNGQIFBLPCALOV-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CC1CCC1 83839352 573678923 /nfs/dbraw/zinc/67/89/23/573678923.db2.gz PNGQIFBLPCALOV-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([NH3+])CCCNCc1ccoc1 130807863 573679011 /nfs/dbraw/zinc/67/90/11/573679011.db2.gz MDZCDVOOBICAEO-VIFPVBQESA-N 1 3 182.267 1.497 10 0 ADAEHO CC[NH+](CC)[C@@H](C)c1ccc(CN)[nH]1 257847265 573681377 /nfs/dbraw/zinc/68/13/77/573681377.db2.gz NYUFCIPCUNLPKC-VIFPVBQESA-N 1 3 195.310 1.876 10 0 ADAEHO NC[C@H](C[NH2+]CC1CC1)CC1CC1 404828578 573681590 /nfs/dbraw/zinc/68/15/90/573681590.db2.gz GZPJPTUCXNQGHN-LLVKDONJSA-N 1 3 182.311 1.361 10 0 ADAEHO C[NH2+]CCNCC(C)(C)C(C)(C)C 258865813 573681599 /nfs/dbraw/zinc/68/15/99/573681599.db2.gz ZAYLQKUHNQFVQE-UHFFFAOYSA-N 1 3 186.343 1.868 10 0 ADAEHO CCC[C@H]([NH3+])[C@H]1CN2CCC1CC2 107977828 573681666 /nfs/dbraw/zinc/68/16/66/573681666.db2.gz VJPXXGGYDDODHE-QWRGUYRKSA-N 1 3 182.311 1.456 10 0 ADAEHO COCCCC[C@@H]([NH3+])CCN(C)C 393548014 573681767 /nfs/dbraw/zinc/68/17/67/573681767.db2.gz PTUXXBBOJPPQPW-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO C[C@H]1CNC(C)(C)C[C@H](C)[NH2+]1 238468907 573681807 /nfs/dbraw/zinc/68/18/07/573681807.db2.gz FMOQQWIPJBEVPI-YUMQZZPRSA-N 1 3 156.273 1.125 10 0 ADAEHO CN(CCC1CCC1)CC1C[NH2+]C1 258879479 573685497 /nfs/dbraw/zinc/68/54/97/573685497.db2.gz KHQWOCURVUKIAB-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO C[N@H+](CCC1CCC1)CC1CNC1 258879479 573685501 /nfs/dbraw/zinc/68/55/01/573685501.db2.gz KHQWOCURVUKIAB-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO C[N@@H+](CCC1CCC1)CC1CNC1 258879479 573685506 /nfs/dbraw/zinc/68/55/06/573685506.db2.gz KHQWOCURVUKIAB-UHFFFAOYSA-N 1 3 182.311 1.328 10 0 ADAEHO N[C@@H](C[C@H]1CC[NH2+]C1)c1ccccn1 259157373 573685615 /nfs/dbraw/zinc/68/56/15/573685615.db2.gz DKDMUYPOVHUADF-ZJUUUORDSA-N 1 3 191.278 1.081 10 0 ADAEHO C[C@H]1CC[NH2+]CCN1CC1CCC1 83842261 573685742 /nfs/dbraw/zinc/68/57/42/573685742.db2.gz FIULHRLGGAGHCO-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO N[C@H](C[C@H]1CC[NH2+]C1)c1ccccn1 259157368 573685928 /nfs/dbraw/zinc/68/59/28/573685928.db2.gz DKDMUYPOVHUADF-NXEZZACHSA-N 1 3 191.278 1.081 10 0 ADAEHO CC[N@@H+]1CCCNCC[C@H]1C 259170059 573685997 /nfs/dbraw/zinc/68/59/97/573685997.db2.gz AOTUDYUIFSVOCO-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+]1CCCNCC[C@H]1C 259170059 573686000 /nfs/dbraw/zinc/68/60/00/573686000.db2.gz AOTUDYUIFSVOCO-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CCN1CCC[NH2+]CC[C@H]1C 259170059 573686002 /nfs/dbraw/zinc/68/60/02/573686002.db2.gz AOTUDYUIFSVOCO-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@H](C)CN[C@H](C)C[NH2+]C1CC1 162383671 573686015 /nfs/dbraw/zinc/68/60/15/573686015.db2.gz BCWOPYSZGKEYCW-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO C[N@H+](CCC1CC1)[C@H]1CCC[C@H](N)C1 308669771 573686040 /nfs/dbraw/zinc/68/60/40/573686040.db2.gz UUDYOANHLHNSSA-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@H]1CCC[C@H](N)C1 308669771 573686042 /nfs/dbraw/zinc/68/60/42/573686042.db2.gz UUDYOANHLHNSSA-RYUDHWBXSA-N 1 3 196.338 1.988 10 0 ADAEHO Cc1cc(C)cc(CNCCC[NH3+])c1 43393580 573687848 /nfs/dbraw/zinc/68/78/48/573687848.db2.gz GFCKGLBRCCBAJB-UHFFFAOYSA-N 1 3 192.306 1.742 10 0 ADAEHO C[N@H+](CCC1CC1)[C@H]1CCC[C@@H](N)C1 308669764 573687307 /nfs/dbraw/zinc/68/73/07/573687307.db2.gz UUDYOANHLHNSSA-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO C[N@@H+](CCC1CC1)[C@H]1CCC[C@@H](N)C1 308669764 573687312 /nfs/dbraw/zinc/68/73/12/573687312.db2.gz UUDYOANHLHNSSA-NEPJUHHUSA-N 1 3 196.338 1.988 10 0 ADAEHO N[C@H](C[C@@H]1CC[NH2+]C1)c1ccccn1 259157371 573687358 /nfs/dbraw/zinc/68/73/58/573687358.db2.gz DKDMUYPOVHUADF-VHSXEESVSA-N 1 3 191.278 1.081 10 0 ADAEHO CC(C)C[N@@H+]1CCC(C)(C)[C@@H](CN)C1 259157409 573687390 /nfs/dbraw/zinc/68/73/90/573687390.db2.gz FVQOJPHXOGQISA-NSHDSACASA-N 1 3 198.354 1.949 10 0 ADAEHO CC(C)C[N@H+]1CCC(C)(C)[C@@H](CN)C1 259157409 573687397 /nfs/dbraw/zinc/68/73/97/573687397.db2.gz FVQOJPHXOGQISA-NSHDSACASA-N 1 3 198.354 1.949 10 0 ADAEHO CC[N@@H+]1CCCNCC[C@@H]1C 259170061 573687428 /nfs/dbraw/zinc/68/74/28/573687428.db2.gz AOTUDYUIFSVOCO-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+]1CCCNCC[C@@H]1C 259170061 573687431 /nfs/dbraw/zinc/68/74/31/573687431.db2.gz AOTUDYUIFSVOCO-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CCN1CCC[NH2+]CC[C@@H]1C 259170061 573687436 /nfs/dbraw/zinc/68/74/36/573687436.db2.gz AOTUDYUIFSVOCO-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[C@@H](CC(C)(C)N)[NH2+]C 259159256 573687445 /nfs/dbraw/zinc/68/74/45/573687445.db2.gz CVEZLUYRYBKTKP-ZETCQYMHSA-N 1 3 144.262 1.112 10 0 ADAEHO CC[C@@H](CC(C)(C)[NH3+])NC 259159256 573687449 /nfs/dbraw/zinc/68/74/49/573687449.db2.gz CVEZLUYRYBKTKP-ZETCQYMHSA-N 1 3 144.262 1.112 10 0 ADAEHO CN[C@H](CC(C)C)C[C@@H]1CCC[NH2+]1 259159231 573687495 /nfs/dbraw/zinc/68/74/95/573687495.db2.gz CUSQMHDCVNDCKL-WDEREUQCSA-N 1 3 184.327 1.763 10 0 ADAEHO CCCC(C)(C)C[NH2+][C@H]1CCNC1 258882208 573687555 /nfs/dbraw/zinc/68/75/55/573687555.db2.gz GPMDGVXGPCIBTD-JTQLQIEISA-N 1 3 184.327 1.764 10 0 ADAEHO CCCC(C)(C)C[NH2+][C@@H]1CCNC1 258882210 573687571 /nfs/dbraw/zinc/68/75/71/573687571.db2.gz GPMDGVXGPCIBTD-SNVBAGLBSA-N 1 3 184.327 1.764 10 0 ADAEHO CC(=[NH2+])NC1C[C@@H]2CCC[C@H](C1)N2C 83847160 573687597 /nfs/dbraw/zinc/68/75/97/573687597.db2.gz WBGWOZWIJLBVOH-FGWVZKOKSA-N 1 3 195.310 1.588 10 0 ADAEHO CN(C)[C@H]([C@H]1CC[NH2+]C1)C(C)(C)C 259618108 573687793 /nfs/dbraw/zinc/68/77/93/573687793.db2.gz RDWQHMXXFVILBW-VHSXEESVSA-N 1 3 184.327 1.572 10 0 ADAEHO C[C@H](N)c1coc(C2CC[NH2+]CC2)n1 258085286 573690620 /nfs/dbraw/zinc/69/06/20/573690620.db2.gz MRTWFSAVWGTLEQ-ZETCQYMHSA-N 1 3 195.266 1.161 10 0 ADAEHO C[NH2+][C@@H](C)CNCC1(C2CC2)CCC1 393646324 573690921 /nfs/dbraw/zinc/69/09/21/573690921.db2.gz HQLCSODPRFPKHA-JTQLQIEISA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[C@@H]([NH3+])[C@@H]1CCCCN1 259165629 573690964 /nfs/dbraw/zinc/69/09/64/573690964.db2.gz DRNBPHYNKLLAJI-DTWKUNHWSA-N 1 3 156.273 1.112 10 0 ADAEHO CN[C@@H](C[C@H](C)[NH3+])c1cccc(C)c1 259164452 573690988 /nfs/dbraw/zinc/69/09/88/573690988.db2.gz BZVWOZFFSFFMQO-JQWIXIFHSA-N 1 3 192.306 1.993 10 0 ADAEHO CNCc1cnc([C@H]2CCC[NH2+]2)s1 258085162 573691049 /nfs/dbraw/zinc/69/10/49/573691049.db2.gz MQUFHDYZKDQGTE-MRVPVSSYSA-N 1 3 197.307 1.287 10 0 ADAEHO CNCc1cnc([C@@H]2CCC[NH2+]2)s1 258085166 573691152 /nfs/dbraw/zinc/69/11/52/573691152.db2.gz MQUFHDYZKDQGTE-QMMMGPOBSA-N 1 3 197.307 1.287 10 0 ADAEHO CN[C@@H](C[C@@H](C)[NH3+])c1cccc(C)c1 259164453 573692974 /nfs/dbraw/zinc/69/29/74/573692974.db2.gz BZVWOZFFSFFMQO-PWSUYJOCSA-N 1 3 192.306 1.993 10 0 ADAEHO N[C@H](C[C@@H]1CCCC[NH2+]1)C1CCC1 259162835 573693625 /nfs/dbraw/zinc/69/36/25/573693625.db2.gz DOLXLNOZXNZMOI-WDEREUQCSA-N 1 3 182.311 1.646 10 0 ADAEHO [NH3+][C@H](C[C@@H]1CCCCN1)C1CCC1 259162835 573693629 /nfs/dbraw/zinc/69/36/29/573693629.db2.gz DOLXLNOZXNZMOI-WDEREUQCSA-N 1 3 182.311 1.646 10 0 ADAEHO CC(C)[C@H]([NH3+])[C@H]1CCCCN1 259165627 573693735 /nfs/dbraw/zinc/69/37/35/573693735.db2.gz DRNBPHYNKLLAJI-BDAKNGLRSA-N 1 3 156.273 1.112 10 0 ADAEHO N[C@@H](C[C@H]1CCCC[NH2+]1)C1CCC1 259162827 573693034 /nfs/dbraw/zinc/69/30/34/573693034.db2.gz DOLXLNOZXNZMOI-MNOVXSKESA-N 1 3 182.311 1.646 10 0 ADAEHO [NH3+][C@@H](C[C@H]1CCCCN1)C1CCC1 259162827 573693038 /nfs/dbraw/zinc/69/30/38/573693038.db2.gz DOLXLNOZXNZMOI-MNOVXSKESA-N 1 3 182.311 1.646 10 0 ADAEHO CN(C)CC[C@@H]([NH3+])Cc1ccccc1 126804014 573693132 /nfs/dbraw/zinc/69/31/32/573693132.db2.gz SGALSWOIOCLUFW-GFCCVEGCSA-N 1 3 192.306 1.508 10 0 ADAEHO C[NH2+][C@H](C)CNCC1(C2CC2)CCC1 393646325 573695036 /nfs/dbraw/zinc/69/50/36/573695036.db2.gz HQLCSODPRFPKHA-SNVBAGLBSA-N 1 3 196.338 1.764 10 0 ADAEHO C[NH2+][C@@H](C)CNCC(C1CC1)C1CC1 83910803 573696269 /nfs/dbraw/zinc/69/62/69/573696269.db2.gz JVKORMXWUVIAMI-VIFPVBQESA-N 1 3 196.338 1.620 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1CCC1CC1 83895160 573696557 /nfs/dbraw/zinc/69/65/57/573696557.db2.gz UANVJTAMOBNVNN-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1CCC1CC1 83895160 573696562 /nfs/dbraw/zinc/69/65/62/573696562.db2.gz UANVJTAMOBNVNN-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CCN1CCC1CC1 83895160 573696565 /nfs/dbraw/zinc/69/65/65/573696565.db2.gz UANVJTAMOBNVNN-GXSJLCMTSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1CNCCC[N@H+](CCC2CC2)C1 83912303 573696591 /nfs/dbraw/zinc/69/65/91/573696591.db2.gz MSSSREVGVWFITF-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[C@H]1CNCCC[N@@H+](CCC2CC2)C1 83912303 573696598 /nfs/dbraw/zinc/69/65/98/573696598.db2.gz MSSSREVGVWFITF-NSHDSACASA-N 1 3 196.338 1.718 10 0 ADAEHO C[NH2+]C(C)(C)CNCC1CCCC1 258887203 573702353 /nfs/dbraw/zinc/70/23/53/573702353.db2.gz MPVQNLIDKSACRX-UHFFFAOYSA-N 1 3 184.327 1.764 10 0 ADAEHO C[NH2+]C1(CN[C@@H]2CC[C@H]2C)CCC1 393552775 573702364 /nfs/dbraw/zinc/70/23/64/573702364.db2.gz FESNCZFSWUFWGO-NXEZZACHSA-N 1 3 182.311 1.517 10 0 ADAEHO C1CC[C@@H]2C[N@@H+]3CCC[C@H]3CN[C@H]2C1 237998989 573702694 /nfs/dbraw/zinc/70/26/94/573702694.db2.gz DLFBVQFXYDOVFO-WOPDTQHZSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CC[C@@H]2C[N@H+]3CCC[C@H]3CN[C@H]2C1 237998989 573702698 /nfs/dbraw/zinc/70/26/98/573702698.db2.gz DLFBVQFXYDOVFO-WOPDTQHZSA-N 1 3 194.322 1.613 10 0 ADAEHO COc1ccc([C@@H](N)[C@H](C)C[NH3+])cc1 259171197 573703544 /nfs/dbraw/zinc/70/35/44/573703544.db2.gz DWDFSEVCOFTLOQ-KCJUWKMLSA-N 1 3 194.278 1.290 10 0 ADAEHO C[C@H](N)c1nccn1-c1ccncc1 75845166 573703976 /nfs/dbraw/zinc/70/39/76/573703976.db2.gz LWWXRXLVRMVDJA-QMMMGPOBSA-N 1 3 188.234 1.287 10 0 ADAEHO C[C@H]([NH3+])c1nccn1-c1ccncc1 75845166 573703988 /nfs/dbraw/zinc/70/39/88/573703988.db2.gz LWWXRXLVRMVDJA-QMMMGPOBSA-N 1 3 188.234 1.287 10 0 ADAEHO c1cc(CNCC[C@@H]2CC[NH2+]C2)co1 130765357 573704286 /nfs/dbraw/zinc/70/42/86/573704286.db2.gz CCDTUDGXKRZPGJ-JTQLQIEISA-N 1 3 194.278 1.369 10 0 ADAEHO C[NH+](C)C[C@H]1CCN(C2CCC2)C1 306440012 573705805 /nfs/dbraw/zinc/70/58/05/573705805.db2.gz KBLLWBPWHGHNEA-SNVBAGLBSA-N 1 3 182.311 1.422 10 0 ADAEHO CC(C)N[C@]1(C[NH3+])CS[C@@H](C)C1 86936789 573706461 /nfs/dbraw/zinc/70/64/61/573706461.db2.gz FRRPZQOZTWOTFM-DTWKUNHWSA-N 1 3 188.340 1.207 10 0 ADAEHO CN[C@H](C1CCC1)[C@H]1CCCC[NH2+]1 259561146 573710875 /nfs/dbraw/zinc/71/08/75/573710875.db2.gz WESAGGZKESXFKA-GHMZBOCLSA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H](C1CCC1)[C@H]1CCCC[NH2+]1 259561149 573710892 /nfs/dbraw/zinc/71/08/92/573710892.db2.gz WESAGGZKESXFKA-MNOVXSKESA-N 1 3 182.311 1.517 10 0 ADAEHO CN[C@@H](C1CCC1)[C@@H]1CCCC[NH2+]1 259561151 573711130 /nfs/dbraw/zinc/71/11/30/573711130.db2.gz WESAGGZKESXFKA-QWRGUYRKSA-N 1 3 182.311 1.517 10 0 ADAEHO C[NH2+]C[C@@H](C(C)C)[C@H](N)C(C)(C)C 259561364 573711238 /nfs/dbraw/zinc/71/12/38/573711238.db2.gz VAPUTFVFTJAPDZ-UWVGGRQHSA-N 1 3 186.343 1.851 10 0 ADAEHO Cc1ccccc1[C@@H]1CNC[C@H]([NH3+])C1 238491229 573711295 /nfs/dbraw/zinc/71/12/95/573711295.db2.gz FTSAUDUBVKXSSX-WDEREUQCSA-N 1 3 190.290 1.399 10 0 ADAEHO C[C@@H](N)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 108275789 573713699 /nfs/dbraw/zinc/71/36/99/573713699.db2.gz QCUKLRANIOWJDT-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@@H](N)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 108275789 573713704 /nfs/dbraw/zinc/71/37/04/573713704.db2.gz QCUKLRANIOWJDT-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+]CCc1nc([C@@H]2CCCN2)cs1 258101701 573713906 /nfs/dbraw/zinc/71/39/06/573713906.db2.gz NYJODRFURDBSGW-ZETCQYMHSA-N 1 3 197.307 1.069 10 0 ADAEHO [NH3+]Cc1ccnc(CN2CCCC2)c1 257856849 573718816 /nfs/dbraw/zinc/71/88/16/573718816.db2.gz QCDXXIPNDRLNEU-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO CC(C)[C@]1([C@H]2CCCN2)CCC[NH2+]1 258097466 573718938 /nfs/dbraw/zinc/71/89/38/573718938.db2.gz GUYQBEXFMKISGV-MNOVXSKESA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@]1([C@H]2CCCNC2)CCCC[NH2+]1 258097665 573719040 /nfs/dbraw/zinc/71/90/40/573719040.db2.gz GWQLUCFESJOPGA-WDEREUQCSA-N 1 3 182.311 1.518 10 0 ADAEHO CC/C=C/CN[C@@H](CC)C1C[NH2+]C1 716118435 573719328 /nfs/dbraw/zinc/71/93/28/573719328.db2.gz FLBRFTSWVYQEMZ-QRGHLMKCSA-N 1 3 182.311 1.540 10 0 ADAEHO CC/C=C/C[NH2+][C@@H](CC)C1CNC1 716118435 573719334 /nfs/dbraw/zinc/71/93/34/573719334.db2.gz FLBRFTSWVYQEMZ-QRGHLMKCSA-N 1 3 182.311 1.540 10 0 ADAEHO C[C@]1([NH3+])Cc2ccccc2[C@@H](N)C1 238493906 573719387 /nfs/dbraw/zinc/71/93/87/573719387.db2.gz HYKSGMPNSUENNM-QWRGUYRKSA-N 1 3 176.263 1.350 10 0 ADAEHO CCC(CC)[NH2+][C@H](CC)C1CNC1 716117392 573720884 /nfs/dbraw/zinc/72/08/84/573720884.db2.gz BWNKAUBSIAQRMF-LLVKDONJSA-N 1 3 184.327 1.763 10 0 ADAEHO Nc1nc(-c2ccccc2C[NH3+])c[nH]1 257856802 573720930 /nfs/dbraw/zinc/72/09/30/573720930.db2.gz QAPNMEOFWABTLW-UHFFFAOYSA-N 1 3 188.234 1.118 10 0 ADAEHO C[C@]1([NH3+])Cc2ccccc2[C@H](N)C1 238493845 573720951 /nfs/dbraw/zinc/72/09/51/573720951.db2.gz HYKSGMPNSUENNM-MNOVXSKESA-N 1 3 176.263 1.350 10 0 ADAEHO CC1(C)CSC[C@H](NCC[NH3+])C1 86975320 573721356 /nfs/dbraw/zinc/72/13/56/573721356.db2.gz PWCSSBFBUVRGIR-MRVPVSSYSA-N 1 3 188.340 1.066 10 0 ADAEHO CC[NH2+]CC[C@H]1CCCN1C 142979272 573723417 /nfs/dbraw/zinc/72/34/17/573723417.db2.gz ANWKLVYXOHEWLA-SECBINFHSA-N 1 3 156.273 1.080 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@H]([NH3+])CC(F)F 393555300 573723782 /nfs/dbraw/zinc/72/37/82/573723782.db2.gz LSVLHTWXVCOKBA-BQBZGAKWSA-N 1 3 192.253 1.357 10 0 ADAEHO NCC1([C@H]([NH3+])C2CCCC2)CC1 259563186 573723863 /nfs/dbraw/zinc/72/38/63/573723863.db2.gz VECUSZZYCYBKGY-SECBINFHSA-N 1 3 168.284 1.243 10 0 ADAEHO CC[NH2+]CC[C@@H]1CCCN1C 142979062 573723948 /nfs/dbraw/zinc/72/39/48/573723948.db2.gz ANWKLVYXOHEWLA-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO NCC1([C@@H]([NH3+])C2CCCC2)CC1 259563190 573724082 /nfs/dbraw/zinc/72/40/82/573724082.db2.gz VECUSZZYCYBKGY-VIFPVBQESA-N 1 3 168.284 1.243 10 0 ADAEHO CN[C@@]1(C[NH3+])CSCC(C)(C)C1 86976757 573724136 /nfs/dbraw/zinc/72/41/36/573724136.db2.gz GMBKURZPOYYLBV-VIFPVBQESA-N 1 3 188.340 1.066 10 0 ADAEHO CN(C)C[C@@H](C[NH3+])C1CCCCC1 258109008 573727962 /nfs/dbraw/zinc/72/79/62/573727962.db2.gz FHAYSXROPSMGSJ-LLVKDONJSA-N 1 3 184.327 1.703 10 0 ADAEHO CN1CC[C@@H]([C@@]2(C)CCCC[NH2+]2)C1 258109167 573728208 /nfs/dbraw/zinc/72/82/08/573728208.db2.gz HPFULRNUYOGFHZ-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H](C1C[NH2+]C1)N(C)C1CC1 716125602 573728379 /nfs/dbraw/zinc/72/83/79/573728379.db2.gz RLOOMCQMHDNDHY-SNVBAGLBSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H](C1CNC1)[N@H+](C)C1CC1 716125602 573728386 /nfs/dbraw/zinc/72/83/86/573728386.db2.gz RLOOMCQMHDNDHY-SNVBAGLBSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[C@H](C1CNC1)[N@@H+](C)C1CC1 716125602 573728390 /nfs/dbraw/zinc/72/83/90/573728390.db2.gz RLOOMCQMHDNDHY-SNVBAGLBSA-N 1 3 168.284 1.079 10 0 ADAEHO CCN(CC)C[C@@]1(F)CC[C@@H]([NH3+])C1 257852564 573731119 /nfs/dbraw/zinc/73/11/19/573731119.db2.gz PGHWDYHEEFDIEE-NXEZZACHSA-N 1 3 188.290 1.548 10 0 ADAEHO CC(C)(C)[C@@H]1CCN(CC[NH3+])C1 108289063 573734894 /nfs/dbraw/zinc/73/48/94/573734894.db2.gz BWYCGVLJVJNDGY-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO NC[C@H]1CCCC[C@@H]1[NH+]1CCC1 108287476 573734985 /nfs/dbraw/zinc/73/49/85/573734985.db2.gz UHIFGDXUSXZHTN-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@H]1CCCC[C@@H]1N1CCC1 108287476 573734993 /nfs/dbraw/zinc/73/49/93/573734993.db2.gz UHIFGDXUSXZHTN-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO CC1CN([C@H]2CCC[C@@H]([NH3+])C2)C1 108287371 573735002 /nfs/dbraw/zinc/73/50/02/573735002.db2.gz ZVKOUBSTLJJWRH-ZJUUUORDSA-N 1 3 168.284 1.208 10 0 ADAEHO C[NH2+]C[C@H]1CCC[C@H]1N1CCC1 108287516 573735125 /nfs/dbraw/zinc/73/51/25/573735125.db2.gz GMJOYAIVEGTNKY-NXEZZACHSA-N 1 3 168.284 1.080 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)CNC)C1 108289210 573735609 /nfs/dbraw/zinc/73/56/09/573735609.db2.gz KMMMPYVSGNYHNX-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H](C)CNC)C1 108289210 573735614 /nfs/dbraw/zinc/73/56/14/573735614.db2.gz KMMMPYVSGNYHNX-VHSXEESVSA-N 1 3 170.300 1.326 10 0 ADAEHO NC[C@H]1CCCC[C@H]1[NH+]1CCC1 108287480 573736066 /nfs/dbraw/zinc/73/60/66/573736066.db2.gz UHIFGDXUSXZHTN-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO [NH3+]C[C@H]1CCCC[C@H]1N1CCC1 108287480 573736069 /nfs/dbraw/zinc/73/60/69/573736069.db2.gz UHIFGDXUSXZHTN-NXEZZACHSA-N 1 3 168.284 1.210 10 0 ADAEHO CC[C@@H]1C[N@@H+](C2CCC2)CC[C@@H]1N 122395019 573736147 /nfs/dbraw/zinc/73/61/47/573736147.db2.gz VKXMIEZYHHLBMU-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1C[N@H+](C2CCC2)CC[C@@H]1N 122395019 573736152 /nfs/dbraw/zinc/73/61/52/573736152.db2.gz VKXMIEZYHHLBMU-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CC[C@@H]1CN(C2CCC2)CC[C@@H]1[NH3+] 122395019 573736159 /nfs/dbraw/zinc/73/61/59/573736159.db2.gz VKXMIEZYHHLBMU-KOLCDFICSA-N 1 3 182.311 1.598 10 0 ADAEHO CN1CCC[NH2+]C[C@H]1CC1CC1 108287284 573736544 /nfs/dbraw/zinc/73/65/44/573736544.db2.gz XAHKCSYFOUOKSO-SNVBAGLBSA-N 1 3 168.284 1.080 10 0 ADAEHO C[NH2+]C[C@H]1CCC[C@@H]1N1CCC1 108287510 573736635 /nfs/dbraw/zinc/73/66/35/573736635.db2.gz GMJOYAIVEGTNKY-ZJUUUORDSA-N 1 3 168.284 1.080 10 0 ADAEHO CC(C)C1CN([C@@H]2CC[C@H]([NH3+])C2)C1 108295073 573738606 /nfs/dbraw/zinc/73/86/06/573738606.db2.gz WMZJGUSMEOTFHA-WDEREUQCSA-N 1 3 182.311 1.454 10 0 ADAEHO CC1(C)CN([C@@H]2CCC[C@@H]([NH3+])C2)C1 108295029 573738906 /nfs/dbraw/zinc/73/89/06/573738906.db2.gz YPIISJSGFFHYNS-NXEZZACHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CN([C@@H]2CCC[C@H]([NH3+])C2)C1 108295025 573738969 /nfs/dbraw/zinc/73/89/69/573738969.db2.gz YPIISJSGFFHYNS-VHSXEESVSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC1CC1 126982958 573742566 /nfs/dbraw/zinc/74/25/66/573742566.db2.gz FGOTUGRBCLBGAF-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC1CC1 126982958 573742570 /nfs/dbraw/zinc/74/25/70/573742570.db2.gz FGOTUGRBCLBGAF-ONGXEEELSA-N 1 3 182.311 1.456 10 0 ADAEHO NCc1cc2ccc(C[NH3+])cc2[nH]1 258115343 573742749 /nfs/dbraw/zinc/74/27/49/573742749.db2.gz TXOFYJPFUUZZNI-UHFFFAOYSA-N 1 3 175.235 1.085 10 0 ADAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CNC1 716154725 573742858 /nfs/dbraw/zinc/74/28/58/573742858.db2.gz HLOWSGWFMHPJIZ-JLLWLGSASA-N 1 3 196.338 1.763 10 0 ADAEHO CC(C)(C)C[C@@H]1[NH2+]CCC[C@H]1CN 238076513 573745381 /nfs/dbraw/zinc/74/53/81/573745381.db2.gz GXXNOKMITFSOEP-UWVGGRQHSA-N 1 3 184.327 1.750 10 0 ADAEHO CNCC1(C[N@H+](C)C(C)(C)C)CC1 258901650 573745664 /nfs/dbraw/zinc/74/56/64/573745664.db2.gz LCXAJBINYJJCJA-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO CNCC1(C[N@@H+](C)C(C)(C)C)CC1 258901650 573745669 /nfs/dbraw/zinc/74/56/69/573745669.db2.gz LCXAJBINYJJCJA-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CC1(CN(C)C(C)(C)C)CC1 258901650 573745674 /nfs/dbraw/zinc/74/56/74/573745674.db2.gz LCXAJBINYJJCJA-UHFFFAOYSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@H](CCCC[NH3+])NCc1cc[nH]n1 308702817 573747296 /nfs/dbraw/zinc/74/72/96/573747296.db2.gz VONNORBKVTZALN-SECBINFHSA-N 1 3 196.298 1.017 10 0 ADAEHO CCCC[C@H](C)[NH2+][C@H](C)C1CNC1 686250317 573747431 /nfs/dbraw/zinc/74/74/31/573747431.db2.gz YFQWDIPBUZFZDK-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO CCC1(C[NH2+][C@@H]2CCNC[C@@H]2C)CC1 308701959 573747437 /nfs/dbraw/zinc/74/74/37/573747437.db2.gz VHDQJGFIHGWOHC-WDEREUQCSA-N 1 3 196.338 1.764 10 0 ADAEHO Cn1c(CN)cc2cccc(C[NH3+])c21 257873376 573747567 /nfs/dbraw/zinc/74/75/67/573747567.db2.gz IQDZOEHKELMMND-UHFFFAOYSA-N 1 3 189.262 1.096 10 0 ADAEHO C1=C(C[NH+]2CCCCCC2)CNCC1 257863350 573747665 /nfs/dbraw/zinc/74/76/65/573747665.db2.gz BYDJAIWBBRIBBA-UHFFFAOYSA-N 1 3 194.322 1.782 10 0 ADAEHO C1=C(CN2CCCCCC2)C[NH2+]CC1 257863350 573747670 /nfs/dbraw/zinc/74/76/70/573747670.db2.gz BYDJAIWBBRIBBA-UHFFFAOYSA-N 1 3 194.322 1.782 10 0 ADAEHO C[C@@H]1C[C@H]([NH3+])CN(c2ccncc2)C1 87043224 573747710 /nfs/dbraw/zinc/74/77/10/573747710.db2.gz GCHZKASDYWNTGX-ZJUUUORDSA-N 1 3 191.278 1.255 10 0 ADAEHO CC(C)C1CN([C@@H]2CCC[C@H]([NH3+])C2)C1 108306817 573749963 /nfs/dbraw/zinc/74/99/63/573749963.db2.gz HXPWRWCWRPRJGA-NWDGAFQWSA-N 1 3 196.338 1.844 10 0 ADAEHO CCCC[C@H](C)[NH2+][C@@H](C)C1CNC1 686250316 573750078 /nfs/dbraw/zinc/75/00/78/573750078.db2.gz YFQWDIPBUZFZDK-UWVGGRQHSA-N 1 3 184.327 1.763 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 108307187 573750157 /nfs/dbraw/zinc/75/01/57/573750157.db2.gz GTPCCROVJQVZNT-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 108307187 573750162 /nfs/dbraw/zinc/75/01/62/573750162.db2.gz GTPCCROVJQVZNT-IJLUTSLNSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](NC)C2)C1 108306935 573750328 /nfs/dbraw/zinc/75/03/28/573750328.db2.gz FSDPRVDXYJSGFW-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](NC)C2)C1 108306935 573750331 /nfs/dbraw/zinc/75/03/31/573750331.db2.gz FSDPRVDXYJSGFW-GRYCIOLGSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H]1C[C@@H]([NH3+])CN(c2ccncc2)C1 87043229 573750458 /nfs/dbraw/zinc/75/04/58/573750458.db2.gz GCHZKASDYWNTGX-NXEZZACHSA-N 1 3 191.278 1.255 10 0 ADAEHO C[C@H]1C[C@H]([NH3+])CN(c2ccncc2)C1 87043227 573750473 /nfs/dbraw/zinc/75/04/73/573750473.db2.gz GCHZKASDYWNTGX-UWVGGRQHSA-N 1 3 191.278 1.255 10 0 ADAEHO CCCC[C@@H](C)[NH2+][C@H](C)C1CNC1 686250314 573750570 /nfs/dbraw/zinc/75/05/70/573750570.db2.gz YFQWDIPBUZFZDK-NXEZZACHSA-N 1 3 184.327 1.763 10 0 ADAEHO [NH3+][C@H]1CCN([C@H]2CC=CCC2)C1 84080298 573760037 /nfs/dbraw/zinc/76/00/37/573760037.db2.gz QTYKJLFCAZWVEX-UWVGGRQHSA-N 1 3 166.268 1.128 10 0 ADAEHO CC(C)[C@H]1C[C@@H]([NH3+])CN1C1CC1 108332693 573760665 /nfs/dbraw/zinc/76/06/65/573760665.db2.gz YJYSNKBXMCHOBS-PSASIEDQSA-N 1 3 168.284 1.206 10 0 ADAEHO [NH3+]Cc1ccncc1CN1CCCC1 257868241 573760240 /nfs/dbraw/zinc/76/02/40/573760240.db2.gz SOSBLRWNHDRNBO-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1[C@H]1CC=CCC1 84068048 573760405 /nfs/dbraw/zinc/76/04/05/573760405.db2.gz ZWKSSGUFGTXAHU-WOPDTQHZSA-N 1 3 194.322 1.907 10 0 ADAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1[C@H]1CC=CCC1 84068048 573760410 /nfs/dbraw/zinc/76/04/10/573760410.db2.gz ZWKSSGUFGTXAHU-WOPDTQHZSA-N 1 3 194.322 1.907 10 0 ADAEHO CCCC[N@@H+]1CC[C@H](CN)[C@@H]1C 259184647 573760508 /nfs/dbraw/zinc/76/05/08/573760508.db2.gz BIHZBMBNDXJOGG-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCCC[N@H+]1CC[C@H](CN)[C@@H]1C 259184647 573760509 /nfs/dbraw/zinc/76/05/09/573760509.db2.gz BIHZBMBNDXJOGG-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCN1CC[C@H]([C@@]2(CC)CCC[NH2+]2)C1 258123299 573763643 /nfs/dbraw/zinc/76/36/43/573763643.db2.gz IOPFOUSCLZULSS-NWDGAFQWSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H]1CC=CCC1 84068046 573763702 /nfs/dbraw/zinc/76/37/02/573763702.db2.gz ZWKSSGUFGTXAHU-UTUOFQBUSA-N 1 3 194.322 1.907 10 0 ADAEHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H]1CC=CCC1 84068046 573763707 /nfs/dbraw/zinc/76/37/07/573763707.db2.gz ZWKSSGUFGTXAHU-UTUOFQBUSA-N 1 3 194.322 1.907 10 0 ADAEHO NC1CC[NH+]([C@@H]2CC=CCC2)CC1 84080303 573763877 /nfs/dbraw/zinc/76/38/77/573763877.db2.gz GHKKAHMQSWHTKG-LLVKDONJSA-N 1 3 180.295 1.518 10 0 ADAEHO [NH3+]C1CCN([C@@H]2CC=CCC2)CC1 84080303 573763884 /nfs/dbraw/zinc/76/38/84/573763884.db2.gz GHKKAHMQSWHTKG-LLVKDONJSA-N 1 3 180.295 1.518 10 0 ADAEHO CC(C)[C@H]1C[C@H]([NH3+])CN1C1CC1 108332688 573764091 /nfs/dbraw/zinc/76/40/91/573764091.db2.gz YJYSNKBXMCHOBS-WCBMZHEXSA-N 1 3 168.284 1.206 10 0 ADAEHO CN1C[C@@H]([NH3+])C[C@@H]1C1CCCC1 108332678 573764130 /nfs/dbraw/zinc/76/41/30/573764130.db2.gz ZDSYDNBFDMTEEI-VHSXEESVSA-N 1 3 168.284 1.208 10 0 ADAEHO CCC[N@H+](C1CC1)[C@H]1CCNC[C@@H]1C 308710209 573764212 /nfs/dbraw/zinc/76/42/12/573764212.db2.gz YGXDDSKIZBFXDF-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC[N@@H+](C1CC1)[C@H]1CCNC[C@@H]1C 308710209 573764217 /nfs/dbraw/zinc/76/42/17/573764217.db2.gz YGXDDSKIZBFXDF-JQWIXIFHSA-N 1 3 196.338 1.859 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](CN)C[N@@H+]1C 108333525 573764275 /nfs/dbraw/zinc/76/42/75/573764275.db2.gz KSCISJQVTXDIBO-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC(C)C[C@@H]1C[C@@H](CN)C[N@H+]1C 108333525 573764281 /nfs/dbraw/zinc/76/42/81/573764281.db2.gz KSCISJQVTXDIBO-VHSXEESVSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[N@@H+]1CC[C@H](C[C@@H]2NCCCO2)C1 257870336 573767212 /nfs/dbraw/zinc/76/72/12/573767212.db2.gz ALKQNYGQBCLMNL-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO CC[N@H+]1CC[C@H](C[C@@H]2NCCCO2)C1 257870336 573767220 /nfs/dbraw/zinc/76/72/20/573767220.db2.gz ALKQNYGQBCLMNL-GHMZBOCLSA-N 1 3 198.310 1.054 10 0 ADAEHO CC1(C)C[C@@H](Nc2ccncc2)C[NH2+]1 258927855 573767488 /nfs/dbraw/zinc/76/74/88/573767488.db2.gz XETQLFWIHNCOIM-SNVBAGLBSA-N 1 3 191.278 1.634 10 0 ADAEHO CC(C)(CCN)[NH2+]CCc1ccc[nH]1 258928157 573767528 /nfs/dbraw/zinc/76/75/28/573767528.db2.gz VBZUWHQZPJQIHC-UHFFFAOYSA-N 1 3 195.310 1.274 10 0 ADAEHO CC(C)(CC[NH3+])NCCc1ccc[nH]1 258928157 573767533 /nfs/dbraw/zinc/76/75/33/573767533.db2.gz VBZUWHQZPJQIHC-UHFFFAOYSA-N 1 3 195.310 1.274 10 0 ADAEHO CN(C)CC(C)(C)C1([NH3+])CC1 259185041 573767637 /nfs/dbraw/zinc/76/76/37/573767637.db2.gz IMHRZYSWCFMWRC-UHFFFAOYSA-N 1 3 156.273 1.066 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H](C)[C@@H]1C 224670467 573772541 /nfs/dbraw/zinc/77/25/41/573772541.db2.gz MWQPLRFGYDYTGP-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H](C)[C@@H]1C 224670467 573772548 /nfs/dbraw/zinc/77/25/48/573772548.db2.gz MWQPLRFGYDYTGP-VWYCJHECSA-N 1 3 184.327 1.844 10 0 ADAEHO Cc1cccc([C@@H]2CNC[C@H]([NH3+])C2)c1 238510578 573773040 /nfs/dbraw/zinc/77/30/40/573773040.db2.gz XMRUUDJXZJQENJ-NWDGAFQWSA-N 1 3 190.290 1.399 10 0 ADAEHO CCCCN[C@@H](C)C[NH2+]C1CC1 162387008 573774352 /nfs/dbraw/zinc/77/43/52/573774352.db2.gz AXYLCJVWFCLJNB-VIFPVBQESA-N 1 3 170.300 1.517 10 0 ADAEHO N[C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 258934757 573774375 /nfs/dbraw/zinc/77/43/75/573774375.db2.gz JPWUZTVOFGFJRE-QWRGUYRKSA-N 1 3 193.294 1.374 10 0 ADAEHO CC[C@H]([NH2+]CC1(CC)CC1)C1CNC1 716170106 573776319 /nfs/dbraw/zinc/77/63/19/573776319.db2.gz ZMVLPOPLNJCTHD-NSHDSACASA-N 1 3 196.338 1.764 10 0 ADAEHO CC[C@H]([NH2+]CCCC1CC1)C1CNC1 716169435 573776343 /nfs/dbraw/zinc/77/63/43/573776343.db2.gz XPQMAXLSOUDETN-LBPRGKRZSA-N 1 3 196.338 1.764 10 0 ADAEHO CC(C)[N@H+](C)C(C)(C)CCN 258935937 573777014 /nfs/dbraw/zinc/77/70/14/573777014.db2.gz VTYMHCDJSQGXIL-UHFFFAOYSA-N 1 3 158.289 1.454 10 0 ADAEHO CC(C)[N@@H+](C)C(C)(C)CCN 258935937 573777020 /nfs/dbraw/zinc/77/70/20/573777020.db2.gz VTYMHCDJSQGXIL-UHFFFAOYSA-N 1 3 158.289 1.454 10 0 ADAEHO Cc1cccc2cnc(CCC[NH3+])n12 257876253 573778335 /nfs/dbraw/zinc/77/83/35/573778335.db2.gz UOOGECGMWZLHSO-UHFFFAOYSA-N 1 3 189.262 1.534 10 0 ADAEHO C[C@H]1[C@@H](N)c2ccccc2C[C@@]1(C)[NH3+] 238513028 573778363 /nfs/dbraw/zinc/77/83/63/573778363.db2.gz YZENEILPLCVJNO-XXILOJSOSA-N 1 3 190.290 1.596 10 0 ADAEHO C[C@]12CCC[NH2+][C@@H]1C[C@@H](N)CC2 238513058 573778819 /nfs/dbraw/zinc/77/88/19/573778819.db2.gz GVZJEONIENNNJS-IVZWLZJFSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@]12CCCN[C@@H]1C[C@@H]([NH3+])CC2 238513058 573778822 /nfs/dbraw/zinc/77/88/22/573778822.db2.gz GVZJEONIENNNJS-IVZWLZJFSA-N 1 3 168.284 1.256 10 0 ADAEHO CC(C)(CC[NH3+])NCc1cc[nH]c1 258938092 573781171 /nfs/dbraw/zinc/78/11/71/573781171.db2.gz VZCDFJOLVQGJQU-UHFFFAOYSA-N 1 3 181.283 1.232 10 0 ADAEHO CC[C@H]([NH3+])CCN1CCCC1 79247865 573781519 /nfs/dbraw/zinc/78/15/19/573781519.db2.gz QINCCWSWILUZRV-VIFPVBQESA-N 1 3 156.273 1.210 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH3+])CC(C)C 259186739 573783021 /nfs/dbraw/zinc/78/30/21/573783021.db2.gz CYLAYAXQKQQUJU-BDAKNGLRSA-N 1 3 158.289 1.345 10 0 ADAEHO CCCCN1CCC(C)(C)[C@H]([NH3+])C1 258947009 573786559 /nfs/dbraw/zinc/78/65/59/573786559.db2.gz YPIOVRYFKJDWFU-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO C[C@H]([NH3+])CCN[C@H]1CCC(F)(F)C1 308431442 573786661 /nfs/dbraw/zinc/78/66/61/573786661.db2.gz ZUTJVTOYHLEYBP-YUMQZZPRSA-N 1 3 192.253 1.501 10 0 ADAEHO CNC[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1C 259185649 573792491 /nfs/dbraw/zinc/79/24/91/573792491.db2.gz HTANQSQEJYNEGW-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO CNC[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1C 259185649 573792497 /nfs/dbraw/zinc/79/24/97/573792497.db2.gz HTANQSQEJYNEGW-ZJUUUORDSA-N 1 3 184.327 1.715 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@H+](C)C1CCC1 127293305 573794081 /nfs/dbraw/zinc/79/40/81/573794081.db2.gz ROSNURLRTBZAKE-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C[C@@H](N)C[C@@H](C)[N@@H+](C)C1CCC1 127293305 573794086 /nfs/dbraw/zinc/79/40/86/573794086.db2.gz ROSNURLRTBZAKE-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO C1CCCC[NH2+]CCNCCC1 238103793 573793366 /nfs/dbraw/zinc/79/33/66/573793366.db2.gz HIAKUVGHYFPSNM-UHFFFAOYSA-N 1 3 170.300 1.520 10 0 ADAEHO C[C@@H]([NH3+])C[C@@H](C)N(C)C1CCC1 127293305 573794091 /nfs/dbraw/zinc/79/40/91/573794091.db2.gz ROSNURLRTBZAKE-RKDXNWHRSA-N 1 3 170.300 1.597 10 0 ADAEHO CN[C@H](C(C)C)C(C)(C)[NH2+]C 259571856 573799143 /nfs/dbraw/zinc/79/91/43/573799143.db2.gz WSVZYAZISQPNHD-MRVPVSSYSA-N 1 3 158.289 1.228 10 0 ADAEHO CC(C)n1c(C[NH2+]C2CC2)cnc1N 258131345 573799261 /nfs/dbraw/zinc/79/92/61/573799261.db2.gz KFECCZLVXUKMCY-UHFFFAOYSA-N 1 3 194.282 1.298 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H](C)C1CNC1 686255372 573799306 /nfs/dbraw/zinc/79/93/06/573799306.db2.gz GFGXMPZPLDSCAT-VWYCJHECSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H](C)C1CNC1 686255372 573799311 /nfs/dbraw/zinc/79/93/11/573799311.db2.gz GFGXMPZPLDSCAT-VWYCJHECSA-N 1 3 196.338 1.715 10 0 ADAEHO CCN1CCC[C@H]1C1([NH3+])CCC1 258131021 573799488 /nfs/dbraw/zinc/79/94/88/573799488.db2.gz UTWGKQBYYPVZPM-VIFPVBQESA-N 1 3 168.284 1.352 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](N)c1cccc(C)c1 259190917 573799752 /nfs/dbraw/zinc/79/97/52/573799752.db2.gz DBLKSSIQOMUJSB-CMPLNLGQSA-N 1 3 192.306 1.980 10 0 ADAEHO C[C@@H](C1CNC1)[N@@H+]1C[C@H](C)CC[C@H]1C 686255370 573799767 /nfs/dbraw/zinc/79/97/67/573799767.db2.gz GFGXMPZPLDSCAT-MXWKQRLJSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H](C1CNC1)[N@H+]1C[C@H](C)CC[C@H]1C 686255370 573799772 /nfs/dbraw/zinc/79/97/72/573799772.db2.gz GFGXMPZPLDSCAT-MXWKQRLJSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@H](N)C[N@H+](C)C1CCC1 127303677 573799894 /nfs/dbraw/zinc/79/98/94/573799894.db2.gz OKBAWOCISSCLCM-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO CC(C)[C@@H](N)C[N@@H+](C)C1CCC1 127303677 573799897 /nfs/dbraw/zinc/79/98/97/573799897.db2.gz OKBAWOCISSCLCM-JTQLQIEISA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](C[NH3+])CCNc1ccncc1 258950234 573799975 /nfs/dbraw/zinc/79/99/75/573799975.db2.gz RGDSEHKHKSZMJJ-VIFPVBQESA-N 1 3 179.267 1.478 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccncc1 84212782 573800037 /nfs/dbraw/zinc/80/00/37/573800037.db2.gz VUWPZSCSJVYPQH-KOLCDFICSA-N 1 3 191.278 1.621 10 0 ADAEHO CC[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1N 147518891 573800075 /nfs/dbraw/zinc/80/00/75/573800075.db2.gz IZEGYVYZVSPEKH-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1N 147518891 573800080 /nfs/dbraw/zinc/80/00/80/573800080.db2.gz IZEGYVYZVSPEKH-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CN(CCC2CC2)CC[C@@H]1[NH3+] 147518891 573800087 /nfs/dbraw/zinc/80/00/87/573800087.db2.gz IZEGYVYZVSPEKH-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO [NH3+]C[C@H]1CCC[C@H]1Nc1ccncc1 84212781 573800115 /nfs/dbraw/zinc/80/01/15/573800115.db2.gz VUWPZSCSJVYPQH-MWLCHTKSSA-N 1 3 191.278 1.621 10 0 ADAEHO C1CC[C@H]2CNC[C@@H](CC1)[NH2+]C2 238105709 573800372 /nfs/dbraw/zinc/80/03/72/573800372.db2.gz NLZOXXSHXBSYOY-VHSXEESVSA-N 1 3 168.284 1.128 10 0 ADAEHO C1CC[C@@H]2CN[C@H](CC1)C[NH2+]C2 238105709 573800376 /nfs/dbraw/zinc/80/03/76/573800376.db2.gz NLZOXXSHXBSYOY-VHSXEESVSA-N 1 3 168.284 1.128 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[N@H+]([C@H](C)C2CNC2)C1 686255369 573800825 /nfs/dbraw/zinc/80/08/25/573800825.db2.gz GFGXMPZPLDSCAT-GMTAPVOTSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@@H]1CC[C@@H](C)[N@@H+]([C@H](C)C2CNC2)C1 686255369 573800828 /nfs/dbraw/zinc/80/08/28/573800828.db2.gz GFGXMPZPLDSCAT-GMTAPVOTSA-N 1 3 196.338 1.715 10 0 ADAEHO CC[C@H](CN)[C@H]([NH2+]C)C(C)C 259194247 573801421 /nfs/dbraw/zinc/80/14/21/573801421.db2.gz KQDKNGIJMDDOCS-RKDXNWHRSA-N 1 3 158.289 1.215 10 0 ADAEHO CCC(CC)[NH2+]C1CC(N)C1 87156806 573801496 /nfs/dbraw/zinc/80/14/96/573801496.db2.gz GFESYJRHEBLOAN-UHFFFAOYSA-N 1 3 156.273 1.254 10 0 ADAEHO CC[C@H](CN)[C@@H]([NH2+]C)C(C)C 259194242 573801599 /nfs/dbraw/zinc/80/15/99/573801599.db2.gz KQDKNGIJMDDOCS-BDAKNGLRSA-N 1 3 158.289 1.215 10 0 ADAEHO CCC[N@@H+]1CC[C@H](CNC)C1(C)C 259193492 573802239 /nfs/dbraw/zinc/80/22/39/573802239.db2.gz BPYTYYRRZZMVNK-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1CC[C@H](CNC)C1(C)C 259193492 573802243 /nfs/dbraw/zinc/80/22/43/573802243.db2.gz BPYTYYRRZZMVNK-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@]1([C@H]2CCCN2)CCC[NH2+]1 258134709 573802873 /nfs/dbraw/zinc/80/28/73/573802873.db2.gz JGIAKQOQZYNIPW-NXEZZACHSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@]1([C@H]2CCC[NH2+]2)CCCN1 258134709 573802879 /nfs/dbraw/zinc/80/28/79/573802879.db2.gz JGIAKQOQZYNIPW-NXEZZACHSA-N 1 3 168.284 1.271 10 0 ADAEHO CCC(CC)N[C@H]1CCCC[NH2+]C1 87156974 573802700 /nfs/dbraw/zinc/80/27/00/573802700.db2.gz NDEWZIIOZZYUGJ-NSHDSACASA-N 1 3 184.327 1.907 10 0 ADAEHO CC[C@@]1([C@@H]2CCCN2)CCC[NH2+]1 258134710 573802793 /nfs/dbraw/zinc/80/27/93/573802793.db2.gz JGIAKQOQZYNIPW-UWVGGRQHSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@@]1([C@@H]2CCC[NH2+]2)CCCN1 258134710 573802802 /nfs/dbraw/zinc/80/28/02/573802802.db2.gz JGIAKQOQZYNIPW-UWVGGRQHSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@@H](CN)[C@H]([NH2+]C)C(C)C 259194244 573803790 /nfs/dbraw/zinc/80/37/90/573803790.db2.gz KQDKNGIJMDDOCS-DTWKUNHWSA-N 1 3 158.289 1.215 10 0 ADAEHO CC[C@]1([C@@H]2CCCN2)CCC[NH2+]1 258134714 573803101 /nfs/dbraw/zinc/80/31/01/573803101.db2.gz JGIAKQOQZYNIPW-VHSXEESVSA-N 1 3 168.284 1.271 10 0 ADAEHO CC[C@]1([C@@H]2CCC[NH2+]2)CCCN1 258134714 573803108 /nfs/dbraw/zinc/80/31/08/573803108.db2.gz JGIAKQOQZYNIPW-VHSXEESVSA-N 1 3 168.284 1.271 10 0 ADAEHO C[C@@H](C1CNC1)[N@H+](C)CC1CCCC1 686255398 573803189 /nfs/dbraw/zinc/80/31/89/573803189.db2.gz HHSMISQYLGGIOS-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](C1CNC1)[N@@H+](C)CC1CCCC1 686255398 573803192 /nfs/dbraw/zinc/80/31/92/573803192.db2.gz HHSMISQYLGGIOS-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](C1CNC1)[N@H+](C)CC1CCCC1 686255399 573803270 /nfs/dbraw/zinc/80/32/70/573803270.db2.gz HHSMISQYLGGIOS-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H](C1CNC1)[N@@H+](C)CC1CCCC1 686255399 573803276 /nfs/dbraw/zinc/80/32/76/573803276.db2.gz HHSMISQYLGGIOS-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CCN(C1CC1)[C@@H](C)C1C[NH2+]C1 686255391 573803328 /nfs/dbraw/zinc/80/33/28/573803328.db2.gz GYIDSXLNJIVCEY-QMMMGPOBSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[N@@H+](C1CC1)[C@@H](C)C1CNC1 686255391 573803333 /nfs/dbraw/zinc/80/33/33/573803333.db2.gz GYIDSXLNJIVCEY-QMMMGPOBSA-N 1 3 168.284 1.079 10 0 ADAEHO CC[N@H+](C1CC1)[C@@H](C)C1CNC1 686255391 573803338 /nfs/dbraw/zinc/80/33/38/573803338.db2.gz GYIDSXLNJIVCEY-QMMMGPOBSA-N 1 3 168.284 1.079 10 0 ADAEHO CCC[N@@H+]1CC[C@@H](CNC)C1(C)C 259193488 573803375 /nfs/dbraw/zinc/80/33/75/573803375.db2.gz BPYTYYRRZZMVNK-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[N@H+]1CC[C@@H](CNC)C1(C)C 259193488 573803377 /nfs/dbraw/zinc/80/33/77/573803377.db2.gz BPYTYYRRZZMVNK-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO [NH3+][C@@H]1CCC[C@@H]1CNc1ccncc1 84235478 573803733 /nfs/dbraw/zinc/80/37/33/573803733.db2.gz SHIGXNACHXYCMG-MWLCHTKSSA-N 1 3 191.278 1.621 10 0 ADAEHO c1cc2c(ccn2CC2C[NH2+]C2)cn1 258134095 573805876 /nfs/dbraw/zinc/80/58/76/573805876.db2.gz NXMZORVZNXPZAC-UHFFFAOYSA-N 1 3 187.246 1.256 10 0 ADAEHO C[C@H](N)c1cnc([C@H]2CCC[NH2+]2)s1 258135423 573806017 /nfs/dbraw/zinc/80/60/17/573806017.db2.gz PLWVAPVLWBZVIW-NKWVEPMBSA-N 1 3 197.307 1.587 10 0 ADAEHO NC[C@H](C[NH2+]C1CCCC1)C1CC1 258135017 573806030 /nfs/dbraw/zinc/80/60/30/573806030.db2.gz GNZPFTYDYHELJD-SNVBAGLBSA-N 1 3 182.311 1.504 10 0 ADAEHO C[C@H](N)c1cnc([C@@H]2CCC[NH2+]2)s1 258135421 573806287 /nfs/dbraw/zinc/80/62/87/573806287.db2.gz PLWVAPVLWBZVIW-BQBZGAKWSA-N 1 3 197.307 1.587 10 0 ADAEHO COCCN(CC[C@H](C)[NH3+])C(C)C 131264981 573806652 /nfs/dbraw/zinc/80/66/52/573806652.db2.gz NJGFYIICICIIFC-JTQLQIEISA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1N 147519101 573806682 /nfs/dbraw/zinc/80/66/82/573806682.db2.gz IZEGYVYZVSPEKH-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1N 147519101 573806686 /nfs/dbraw/zinc/80/66/86/573806686.db2.gz IZEGYVYZVSPEKH-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1CN(CCC2CC2)CC[C@@H]1[NH3+] 147519101 573806689 /nfs/dbraw/zinc/80/66/89/573806689.db2.gz IZEGYVYZVSPEKH-RYUDHWBXSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)[C@@H](CN)[C@H]([NH3+])C(C)(C)C 259571688 573809359 /nfs/dbraw/zinc/80/93/59/573809359.db2.gz VQGFMNCQSZOWFR-BDAKNGLRSA-N 1 3 172.316 1.591 10 0 ADAEHO CC(C)[C@@H](C[NH3+])[C@H](N)C(C)(C)C 259571688 573809366 /nfs/dbraw/zinc/80/93/66/573809366.db2.gz VQGFMNCQSZOWFR-BDAKNGLRSA-N 1 3 172.316 1.591 10 0 ADAEHO Cc1ccccc1[C@H](N)C[C@H](C)[NH3+] 259571449 573809429 /nfs/dbraw/zinc/80/94/29/573809429.db2.gz YPUOWMFHYHMWQK-GXSJLCMTSA-N 1 3 178.279 1.732 10 0 ADAEHO CC(C)[C@H](CN)[C@@H]([NH3+])C(C)(C)C 259571691 573809447 /nfs/dbraw/zinc/80/94/47/573809447.db2.gz VQGFMNCQSZOWFR-DTWKUNHWSA-N 1 3 172.316 1.591 10 0 ADAEHO CC(C)[C@H](C[NH3+])[C@@H](N)C(C)(C)C 259571691 573809451 /nfs/dbraw/zinc/80/94/51/573809451.db2.gz VQGFMNCQSZOWFR-DTWKUNHWSA-N 1 3 172.316 1.591 10 0 ADAEHO CC[C@H](C)NC(C)(C)C[NH2+]C 258955691 573809522 /nfs/dbraw/zinc/80/95/22/573809522.db2.gz MBQKPQPVNHTMJJ-QMMMGPOBSA-N 1 3 158.289 1.373 10 0 ADAEHO Cc1ccccc1[C@@H](N)C[C@@H](C)[NH3+] 259571454 573809524 /nfs/dbraw/zinc/80/95/24/573809524.db2.gz YPUOWMFHYHMWQK-KOLCDFICSA-N 1 3 178.279 1.732 10 0 ADAEHO F[C@@H]1CCN[C@H]([C@@H]2CCC[NH2+]C2)C1 238528904 573809593 /nfs/dbraw/zinc/80/95/93/573809593.db2.gz XOKSXAOSQGYSNI-BBBLOLIVSA-N 1 3 186.274 1.076 10 0 ADAEHO F[C@@H]1CC[NH2+][C@H]([C@@H]2CCCNC2)C1 238528904 573809599 /nfs/dbraw/zinc/80/95/99/573809599.db2.gz XOKSXAOSQGYSNI-BBBLOLIVSA-N 1 3 186.274 1.076 10 0 ADAEHO CN[C@H](c1ccc[nH]1)C(C)(C)C[NH3+] 259571510 573809637 /nfs/dbraw/zinc/80/96/37/573809637.db2.gz VPJGXDSOCVSGKM-SECBINFHSA-N 1 3 181.283 1.260 10 0 ADAEHO C[NH2+][C@H](c1ccc[nH]1)C(C)(C)CN 259571510 573809646 /nfs/dbraw/zinc/80/96/46/573809646.db2.gz VPJGXDSOCVSGKM-SECBINFHSA-N 1 3 181.283 1.260 10 0 ADAEHO Cc1ccccc1[C@H](N)C[C@@H](C)[NH3+] 259571458 573809896 /nfs/dbraw/zinc/80/98/96/573809896.db2.gz YPUOWMFHYHMWQK-MWLCHTKSSA-N 1 3 178.279 1.732 10 0 ADAEHO Cc1ccccc1[C@@H](N)C[C@H](C)[NH3+] 259571463 573810035 /nfs/dbraw/zinc/81/00/35/573810035.db2.gz YPUOWMFHYHMWQK-ONGXEEELSA-N 1 3 178.279 1.732 10 0 ADAEHO C[NH2+][C@H](C)C[C@@H](C)N(C)C1CCC1 127365833 573812467 /nfs/dbraw/zinc/81/24/67/573812467.db2.gz NUNFAPCFAVVQSR-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@H+](C)C1CCC1 127365833 573812474 /nfs/dbraw/zinc/81/24/74/573812474.db2.gz NUNFAPCFAVVQSR-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CN[C@H](C)C[C@@H](C)[N@@H+](C)C1CCC1 127365833 573812482 /nfs/dbraw/zinc/81/24/82/573812482.db2.gz NUNFAPCFAVVQSR-NXEZZACHSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[N@H+](CC(C)C)[C@@H](C)CCN 41042553 573812496 /nfs/dbraw/zinc/81/24/96/573812496.db2.gz KINMEMBYZMEHNR-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[N@@H+](CC(C)C)[C@@H](C)CCN 41042553 573812503 /nfs/dbraw/zinc/81/25/03/573812503.db2.gz KINMEMBYZMEHNR-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@@]1(CNCC2CC2)CCCC[NH2+]1 127359685 573812506 /nfs/dbraw/zinc/81/25/06/573812506.db2.gz WFMWJBMZOLWIOJ-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)([NH3+])CCNCCc1ccc[nH]1 258960171 573811639 /nfs/dbraw/zinc/81/16/39/573811639.db2.gz SHCGXEGHOGTDNB-UHFFFAOYSA-N 1 3 195.310 1.274 10 0 ADAEHO CC(C)[C@H](CN)[C@H]([NH3+])C(C)(C)C 259571694 573811834 /nfs/dbraw/zinc/81/18/34/573811834.db2.gz VQGFMNCQSZOWFR-IUCAKERBSA-N 1 3 172.316 1.591 10 0 ADAEHO CC(C)[C@H](C[NH3+])[C@H](N)C(C)(C)C 259571694 573811839 /nfs/dbraw/zinc/81/18/39/573811839.db2.gz VQGFMNCQSZOWFR-IUCAKERBSA-N 1 3 172.316 1.591 10 0 ADAEHO CCCCNC[C@]1(C)CCCC[NH2+]1 127360480 573811990 /nfs/dbraw/zinc/81/19/90/573811990.db2.gz GRXFDEVACWQMIN-NSHDSACASA-N 1 3 184.327 1.908 10 0 ADAEHO CC[C@H](C)NC[C@@]1(C)CCCC[NH2+]1 127356870 573812421 /nfs/dbraw/zinc/81/24/21/573812421.db2.gz ODINZRMHWIRZHM-WDEREUQCSA-N 1 3 184.327 1.907 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@H+](C)C(C)C 87187111 573818934 /nfs/dbraw/zinc/81/89/34/573818934.db2.gz NUGQFWUOCIYWFM-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@@H](CN)C[N@@H+](C)C(C)C 87187111 573818939 /nfs/dbraw/zinc/81/89/39/573818939.db2.gz NUGQFWUOCIYWFM-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@@H](C[NH3+])CN(C)C(C)C 87187111 573818944 /nfs/dbraw/zinc/81/89/44/573818944.db2.gz NUGQFWUOCIYWFM-NSHDSACASA-N 1 3 186.343 1.948 10 0 ADAEHO C[NH2+][C@@H](c1ccc[nH]1)C1(CN)CC1 259200529 573819009 /nfs/dbraw/zinc/81/90/09/573819009.db2.gz FIMZXQJMOPZDBL-VIFPVBQESA-N 1 3 179.267 1.014 10 0 ADAEHO C[NH2+][C@@H](CC(C)C)C[C@H](C)N 259200509 573819201 /nfs/dbraw/zinc/81/92/01/573819201.db2.gz DKKHDJUEFJVJKW-IUCAKERBSA-N 1 3 158.289 1.358 10 0 ADAEHO Cc1ccc([C@@H](N)[C@@H](C)C[NH3+])c(C)c1 259201467 573819228 /nfs/dbraw/zinc/81/92/28/573819228.db2.gz GBJRGZRCRMLKDV-JQWIXIFHSA-N 1 3 192.306 1.898 10 0 ADAEHO C1CN[C@H]2[C@@H]3CCC[N@H+]3CCC[C@H]2C1 257883478 573820923 /nfs/dbraw/zinc/82/09/23/573820923.db2.gz VWQREJWJRXCYJT-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CN[C@H]2[C@@H]3CCC[N@@H+]3CCC[C@H]2C1 257883478 573820929 /nfs/dbraw/zinc/82/09/29/573820929.db2.gz VWQREJWJRXCYJT-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO C1C[NH2+][C@H]2[C@@H]3CCCN3CCC[C@H]2C1 257883478 573820934 /nfs/dbraw/zinc/82/09/34/573820934.db2.gz VWQREJWJRXCYJT-GRYCIOLGSA-N 1 3 194.322 1.613 10 0 ADAEHO CCC[C@H]([NH3+])C1(CN)CCC1 259202997 573820961 /nfs/dbraw/zinc/82/09/61/573820961.db2.gz DOCVRYFOBYEGRO-QMMMGPOBSA-N 1 3 156.273 1.243 10 0 ADAEHO CCN1CC[C@@H]([NH2+]C)CC1(C)C 259204596 573820978 /nfs/dbraw/zinc/82/09/78/573820978.db2.gz CFTZIBIZXNNBTG-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@@H+]1CC[C@@H](NC)CC1(C)C 259204596 573820982 /nfs/dbraw/zinc/82/09/82/573820982.db2.gz CFTZIBIZXNNBTG-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CC[N@H+]1CC[C@@H](NC)CC1(C)C 259204596 573820986 /nfs/dbraw/zinc/82/09/86/573820986.db2.gz CFTZIBIZXNNBTG-SECBINFHSA-N 1 3 170.300 1.469 10 0 ADAEHO CN1CCC[C@H]([C@]2(C)CCCC[NH2+]2)C1 258146728 573821043 /nfs/dbraw/zinc/82/10/43/573821043.db2.gz KCZOINHJOLYEHK-RYUDHWBXSA-N 1 3 196.338 1.860 10 0 ADAEHO CN(CCCF)CC(C)(C)C(N)=[NH2+] 716805109 573821071 /nfs/dbraw/zinc/82/10/71/573821071.db2.gz KDOCGIMESUJSTE-UHFFFAOYSA-N 1 3 189.278 1.240 10 0 ADAEHO C[N@H+](C[C@@H](N)C1CC1)C1CCC1 127314432 573821093 /nfs/dbraw/zinc/82/10/93/573821093.db2.gz ABIONPFXGKKDSQ-SNVBAGLBSA-N 1 3 168.284 1.208 10 0 ADAEHO C[N@@H+](C[C@@H](N)C1CC1)C1CCC1 127314432 573821100 /nfs/dbraw/zinc/82/11/00/573821100.db2.gz ABIONPFXGKKDSQ-SNVBAGLBSA-N 1 3 168.284 1.208 10 0 ADAEHO CCN1CC[C@H]([NH2+]C)CC1(C)C 259204597 573821234 /nfs/dbraw/zinc/82/12/34/573821234.db2.gz CFTZIBIZXNNBTG-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO C1CN[C@@H]2[C@@H](C1)CCC[N@@H+]1CCC[C@H]21 257883482 573821236 /nfs/dbraw/zinc/82/12/36/573821236.db2.gz VWQREJWJRXCYJT-QJPTWQEYSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[N@@H+]1CC[C@H](NC)CC1(C)C 259204597 573821240 /nfs/dbraw/zinc/82/12/40/573821240.db2.gz CFTZIBIZXNNBTG-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO C1CN[C@@H]2[C@@H](C1)CCC[N@H+]1CCC[C@H]21 257883482 573821244 /nfs/dbraw/zinc/82/12/44/573821244.db2.gz VWQREJWJRXCYJT-QJPTWQEYSA-N 1 3 194.322 1.613 10 0 ADAEHO CC[N@H+]1CC[C@H](NC)CC1(C)C 259204597 573821248 /nfs/dbraw/zinc/82/12/48/573821248.db2.gz CFTZIBIZXNNBTG-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO C1C[NH2+][C@@H]2[C@@H](C1)CCCN1CCC[C@H]21 257883482 573821249 /nfs/dbraw/zinc/82/12/49/573821249.db2.gz VWQREJWJRXCYJT-QJPTWQEYSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CN[C@@H]2[C@@H](C1)CCC[N@@H+]1CCC[C@@H]21 257883486 573822384 /nfs/dbraw/zinc/82/23/84/573822384.db2.gz VWQREJWJRXCYJT-SDDRHHMPSA-N 1 3 194.322 1.613 10 0 ADAEHO C1CN[C@@H]2[C@@H](C1)CCC[N@H+]1CCC[C@@H]21 257883486 573822393 /nfs/dbraw/zinc/82/23/93/573822393.db2.gz VWQREJWJRXCYJT-SDDRHHMPSA-N 1 3 194.322 1.613 10 0 ADAEHO C1C[NH2+][C@@H]2[C@@H](C1)CCCN1CCC[C@@H]21 257883486 573822398 /nfs/dbraw/zinc/82/23/98/573822398.db2.gz VWQREJWJRXCYJT-SDDRHHMPSA-N 1 3 194.322 1.613 10 0 ADAEHO CN(CC[C@H]1CCCC[NH2+]1)CC1CC1 43498686 573822672 /nfs/dbraw/zinc/82/26/72/573822672.db2.gz CPFKSSZAGBDTEK-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO [NH3+][C@H](CCN1CCC2(CC2)C1)C1CC1 400042761 573822748 /nfs/dbraw/zinc/82/27/48/573822748.db2.gz OGGVWUUMSWWDEW-LLVKDONJSA-N 1 3 194.322 1.600 10 0 ADAEHO C[NH2+][C@@H](C[C@@H](C)N)C1CCC1 259204751 573822919 /nfs/dbraw/zinc/82/29/19/573822919.db2.gz DOXVJSCHUSLQOH-APPZFPTMSA-N 1 3 156.273 1.112 10 0 ADAEHO CCCC[C@H](C[NH3+])N1CCCC1 41053038 573822995 /nfs/dbraw/zinc/82/29/95/573822995.db2.gz LGADBBYOGTVHRJ-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[C@@H](C[NH3+])N1CCCC1 41053037 573823064 /nfs/dbraw/zinc/82/30/64/573823064.db2.gz LGADBBYOGTVHRJ-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO C[C@H]1C[C@H]1C[N@@H+]1CCCN[C@H](C)CC1 122801022 573823140 /nfs/dbraw/zinc/82/31/40/573823140.db2.gz KFKGTKUKMXDUJY-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1C[C@H]1C[N@H+]1CCCN[C@H](C)CC1 122801022 573823144 /nfs/dbraw/zinc/82/31/44/573823144.db2.gz KFKGTKUKMXDUJY-TUAOUCFPSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[C@@H](C)[N@H+](CC)CCCN 233275405 573824802 /nfs/dbraw/zinc/82/48/02/573824802.db2.gz NOEYSOLCWORBNF-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[C@@H](C)[N@@H+](CC)CCCN 233275405 573824809 /nfs/dbraw/zinc/82/48/09/573824809.db2.gz NOEYSOLCWORBNF-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CNCC1([C@@H]([NH2+]C)C(C)C)CC1 259205130 573830031 /nfs/dbraw/zinc/83/00/31/573830031.db2.gz FOKAXTJFHODJSZ-VIFPVBQESA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](CN)CC1CC1 405020502 573830093 /nfs/dbraw/zinc/83/00/93/573830093.db2.gz QVQZRFLDKSCRRB-YUSALJHKSA-N 1 3 196.338 1.607 10 0 ADAEHO CN(C)CC1(C[NH3+])CCCCCC1 84330007 573830185 /nfs/dbraw/zinc/83/01/85/573830185.db2.gz WWOKQBDKNINQMK-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO C[NH+](C)CC1(CN)CCCCCC1 84330007 573830191 /nfs/dbraw/zinc/83/01/91/573830191.db2.gz WWOKQBDKNINQMK-UHFFFAOYSA-N 1 3 184.327 1.847 10 0 ADAEHO CC[NH2+]C[C@H]1CCCCC[C@H]1N 87222570 573834631 /nfs/dbraw/zinc/83/46/31/573834631.db2.gz RSDOINFKLNXZMS-NXEZZACHSA-N 1 3 170.300 1.504 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+](C)C(C)(C)C 258966705 573834673 /nfs/dbraw/zinc/83/46/73/573834673.db2.gz KZQRTJDJXILNAI-JTQLQIEISA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+](C)C(C)(C)C 258966705 573834681 /nfs/dbraw/zinc/83/46/81/573834681.db2.gz KZQRTJDJXILNAI-JTQLQIEISA-N 1 3 186.343 1.948 10 0 ADAEHO CCCC[N@@H+](C1CC1)[C@@H](C)C1CNC1 686255689 573834714 /nfs/dbraw/zinc/83/47/14/573834714.db2.gz QYIHZPLOTAGPSG-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CCCC[N@H+](C1CC1)[C@@H](C)C1CNC1 686255689 573834719 /nfs/dbraw/zinc/83/47/19/573834719.db2.gz QYIHZPLOTAGPSG-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CCCCN(C1CC1)[C@@H](C)C1C[NH2+]C1 686255689 573834724 /nfs/dbraw/zinc/83/47/24/573834724.db2.gz QYIHZPLOTAGPSG-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO CC1CC(N2CC[NH2+][C@@H](C)CC2)C1 122860113 573834729 /nfs/dbraw/zinc/83/47/29/573834729.db2.gz ZFFMQBQDGYLAPJ-YVNMAJEFSA-N 1 3 182.311 1.469 10 0 ADAEHO CC1CCC([C@H](N)C[NH3+])CC1 84339274 573834752 /nfs/dbraw/zinc/83/47/52/573834752.db2.gz NQHHJLYPLCQCRY-AMDVSUOASA-N 1 3 156.273 1.099 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@@H](C)C1CNC1 686255695 573834812 /nfs/dbraw/zinc/83/48/12/573834812.db2.gz QYQZJFNIDRSPMC-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@@H](C)C1CNC1 686255695 573834820 /nfs/dbraw/zinc/83/48/20/573834820.db2.gz QYQZJFNIDRSPMC-JTQLQIEISA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)[NH2+]C[C@@H]1CCCCC[C@H]1N 87222514 573834838 /nfs/dbraw/zinc/83/48/38/573834838.db2.gz ISSRNNPYPZGUSP-WDEREUQCSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[N@H+](CC1CC1)[C@H](C)C1CNC1 686255696 573834905 /nfs/dbraw/zinc/83/49/05/573834905.db2.gz QYQZJFNIDRSPMC-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[N@@H+](CC1CC1)[C@H](C)C1CNC1 686255696 573834914 /nfs/dbraw/zinc/83/49/14/573834914.db2.gz QYQZJFNIDRSPMC-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CNC1 686255676 573834928 /nfs/dbraw/zinc/83/49/28/573834928.db2.gz QFGAWLIXLVCORW-REIXXSIJSA-N 1 3 182.311 1.228 10 0 ADAEHO CC(C)CC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238155483 573835214 /nfs/dbraw/zinc/83/52/14/573835214.db2.gz FVLUXWAZKQGENK-CNDDSTCGSA-N 1 3 196.338 1.987 10 0 ADAEHO CC(C)CC[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238155483 573835221 /nfs/dbraw/zinc/83/52/21/573835221.db2.gz FVLUXWAZKQGENK-CNDDSTCGSA-N 1 3 196.338 1.987 10 0 ADAEHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C1CNC1 686255673 573834981 /nfs/dbraw/zinc/83/49/81/573834981.db2.gz QFGAWLIXLVCORW-CDLYGTGVSA-N 1 3 182.311 1.228 10 0 ADAEHO CC(C)[C@@H]1CN(C)CCCC[NH2+]1 238154633 573835012 /nfs/dbraw/zinc/83/50/12/573835012.db2.gz GXVIAZVMOBPBHJ-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@@H]1C[N@H+](C)CCCCN1 238154633 573835020 /nfs/dbraw/zinc/83/50/20/573835020.db2.gz GXVIAZVMOBPBHJ-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO CC(C)[C@@H]1C[N@@H+](C)CCCCN1 238154633 573835027 /nfs/dbraw/zinc/83/50/27/573835027.db2.gz GXVIAZVMOBPBHJ-JTQLQIEISA-N 1 3 170.300 1.326 10 0 ADAEHO [NH3+]Cc1ccc(CN2CCCC2)nc1 87222969 573835126 /nfs/dbraw/zinc/83/51/26/573835126.db2.gz KYYTWXRFANSGRM-UHFFFAOYSA-N 1 3 191.278 1.136 10 0 ADAEHO C[C@H]1CCC[C@@](C[NH3+])(CN(C)C)C1 84346142 573838853 /nfs/dbraw/zinc/83/88/53/573838853.db2.gz ZLRGFMTTXIRPHQ-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@H]1CCC[C@@](CN)(C[NH+](C)C)C1 84346142 573838855 /nfs/dbraw/zinc/83/88/55/573838855.db2.gz ZLRGFMTTXIRPHQ-WDEREUQCSA-N 1 3 184.327 1.703 10 0 ADAEHO C[C@@H]1CCC[C@H]([C@H](N)C[NH3+])C1 84342077 573840044 /nfs/dbraw/zinc/84/00/44/573840044.db2.gz DTKFUWWXOHNRFT-HRDYMLBCSA-N 1 3 156.273 1.099 10 0 ADAEHO C[C@@H](CN)C[N@@H+]1CCC(C)(C)C1 87232772 573844026 /nfs/dbraw/zinc/84/40/26/573844026.db2.gz ZOHYRBCFHSUHEN-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@@H](CN)C[N@H+]1CCC(C)(C)C1 87232772 573844031 /nfs/dbraw/zinc/84/40/31/573844031.db2.gz ZOHYRBCFHSUHEN-VIFPVBQESA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252205 573844055 /nfs/dbraw/zinc/84/40/55/573844055.db2.gz VZWOGRNQEMARFU-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C[C@@H](C)[N@H+]1CCC(C)(C)C1 87252205 573844065 /nfs/dbraw/zinc/84/40/65/573844065.db2.gz VZWOGRNQEMARFU-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH2+][C@H]1CC12CC2 715356935 573844201 /nfs/dbraw/zinc/84/42/01/573844201.db2.gz SGKQUSORHSQGFC-ZJUUUORDSA-N 1 3 194.322 1.517 10 0 ADAEHO CC1(C)C[NH2+]CC[C@H]1N[C@H]1CC12CC2 715356935 573844203 /nfs/dbraw/zinc/84/42/03/573844203.db2.gz SGKQUSORHSQGFC-ZJUUUORDSA-N 1 3 194.322 1.517 10 0 ADAEHO CN[C@H](CCC[NH3+])c1ccccn1 259209520 573844300 /nfs/dbraw/zinc/84/43/00/573844300.db2.gz FRPDNNAMHHKZAE-SECBINFHSA-N 1 3 179.267 1.081 10 0 ADAEHO CC(C)C[C@@H]1C[C@H](N)CC(C)(C)[NH2+]1 238159300 573844390 /nfs/dbraw/zinc/84/43/90/573844390.db2.gz BYVWIBFQMFRSRL-VHSXEESVSA-N 1 3 184.327 1.890 10 0 ADAEHO CC(C)C[C@@H]1C[C@H]([NH3+])CC(C)(C)N1 238159300 573844394 /nfs/dbraw/zinc/84/43/94/573844394.db2.gz BYVWIBFQMFRSRL-VHSXEESVSA-N 1 3 184.327 1.890 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CC12CC2 715356929 573844482 /nfs/dbraw/zinc/84/44/82/573844482.db2.gz SGKQUSORHSQGFC-VHSXEESVSA-N 1 3 194.322 1.517 10 0 ADAEHO CC1(C)C[NH2+]CC[C@@H]1N[C@@H]1CC12CC2 715356929 573844487 /nfs/dbraw/zinc/84/44/87/573844487.db2.gz SGKQUSORHSQGFC-VHSXEESVSA-N 1 3 194.322 1.517 10 0 ADAEHO CC1(C)CNCC[C@H]1[NH2+][C@@H]1CC12CC2 715356917 573844531 /nfs/dbraw/zinc/84/45/31/573844531.db2.gz SGKQUSORHSQGFC-NXEZZACHSA-N 1 3 194.322 1.517 10 0 ADAEHO CC1(C)C[NH2+]CC[C@H]1N[C@@H]1CC12CC2 715356917 573844537 /nfs/dbraw/zinc/84/45/37/573844537.db2.gz SGKQUSORHSQGFC-NXEZZACHSA-N 1 3 194.322 1.517 10 0 ADAEHO NC[C@H]1CCCC[N@@H+]2CCC[C@@H]12 258517106 573844600 /nfs/dbraw/zinc/84/46/00/573844600.db2.gz LXSYOLHNJLDWEU-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO NC[C@H]1CCCC[N@H+]2CCC[C@@H]12 258517106 573844607 /nfs/dbraw/zinc/84/46/07/573844607.db2.gz LXSYOLHNJLDWEU-ZJUUUORDSA-N 1 3 168.284 1.210 10 0 ADAEHO CC(C)[C@]1([C@H]2CCN(C)C2)CCC[NH2+]1 258158821 573844674 /nfs/dbraw/zinc/84/46/74/573844674.db2.gz KWCIRWPNIBWARS-RYUDHWBXSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@]1(CN[C@@H]2CC[C@H]([NH3+])C2)CCCO1 87234360 573845846 /nfs/dbraw/zinc/84/58/46/573845846.db2.gz FKRUMSTVQRSNKF-HBNTYKKESA-N 1 3 198.310 1.025 10 0 ADAEHO CC1(C)CC[N@@H+]([C@@H]2CCC[C@@H]2CN)C1 87232797 573845911 /nfs/dbraw/zinc/84/59/11/573845911.db2.gz UNZMCFSMJWIORO-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[N@H+]([C@@H]2CCC[C@@H]2CN)C1 87232797 573845916 /nfs/dbraw/zinc/84/59/16/573845916.db2.gz UNZMCFSMJWIORO-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CNCC[C@@H]1[NH2+][C@H]1CC12CC2 715356924 573846103 /nfs/dbraw/zinc/84/61/03/573846103.db2.gz SGKQUSORHSQGFC-UWVGGRQHSA-N 1 3 194.322 1.517 10 0 ADAEHO CC1(C)C[NH2+]CC[C@@H]1N[C@H]1CC12CC2 715356924 573846109 /nfs/dbraw/zinc/84/61/09/573846109.db2.gz SGKQUSORHSQGFC-UWVGGRQHSA-N 1 3 194.322 1.517 10 0 ADAEHO CC(C)[C@@]1([C@H]2CCN(C)C2)CCC[NH2+]1 258158817 573846231 /nfs/dbraw/zinc/84/62/31/573846231.db2.gz KWCIRWPNIBWARS-NWDGAFQWSA-N 1 3 196.338 1.716 10 0 ADAEHO CC(C)CCCC[NH2+]C[C@@H](C)CN 147597804 573846269 /nfs/dbraw/zinc/84/62/69/573846269.db2.gz PCGQHLVJIQNWIU-NSHDSACASA-N 1 3 186.343 1.997 10 0 ADAEHO NC1([C@H]2CCCC[NH2+]2)CCCC1 258158943 573846402 /nfs/dbraw/zinc/84/64/02/573846402.db2.gz WSCHVEOOZDRYDF-SECBINFHSA-N 1 3 168.284 1.400 10 0 ADAEHO [NH3+]C1([C@H]2CCCCN2)CCCC1 258158943 573846411 /nfs/dbraw/zinc/84/64/11/573846411.db2.gz WSCHVEOOZDRYDF-SECBINFHSA-N 1 3 168.284 1.400 10 0 ADAEHO C[C@H](CN)C[N@@H+]1CCC(C)(C)C1 87232774 573849598 /nfs/dbraw/zinc/84/95/98/573849598.db2.gz ZOHYRBCFHSUHEN-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO C[C@H](CN)C[N@H+]1CCC(C)(C)C1 87232774 573849603 /nfs/dbraw/zinc/84/96/03/573849603.db2.gz ZOHYRBCFHSUHEN-SECBINFHSA-N 1 3 170.300 1.313 10 0 ADAEHO CN[C@H]1CC[C@H]([N@@H+]2CCC(C)(C)C2)C1 87252275 573848965 /nfs/dbraw/zinc/84/89/65/573848965.db2.gz BQXRTSBXJMFIDJ-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO CN[C@H]1CC[C@H]([N@H+]2CCC(C)(C)C2)C1 87252275 573848971 /nfs/dbraw/zinc/84/89/71/573848971.db2.gz BQXRTSBXJMFIDJ-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO C[NH2+][C@H]1CC[C@H](N2CCC(C)(C)C2)C1 87252275 573848978 /nfs/dbraw/zinc/84/89/78/573848978.db2.gz BQXRTSBXJMFIDJ-QWRGUYRKSA-N 1 3 196.338 1.859 10 0 ADAEHO NC1([C@@H]2CCCC[NH2+]2)CCCC1 258158945 573849006 /nfs/dbraw/zinc/84/90/06/573849006.db2.gz WSCHVEOOZDRYDF-VIFPVBQESA-N 1 3 168.284 1.400 10 0 ADAEHO [NH3+]C1([C@@H]2CCCCN2)CCCC1 258158945 573849010 /nfs/dbraw/zinc/84/90/10/573849010.db2.gz WSCHVEOOZDRYDF-VIFPVBQESA-N 1 3 168.284 1.400 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CC[C@H](N)C2)C1 87252327 573849049 /nfs/dbraw/zinc/84/90/49/573849049.db2.gz JGZXNEQAYQTGIH-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CC[C@H](N)C2)C1 87252327 573849051 /nfs/dbraw/zinc/84/90/51/573849051.db2.gz JGZXNEQAYQTGIH-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@@H](CCN)[N@@H+]1CCC(C)(C)C1 87232809 573849537 /nfs/dbraw/zinc/84/95/37/573849537.db2.gz XHHCZLFAHIPRTC-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H](CCN)[N@H+]1CCC(C)(C)C1 87232809 573849540 /nfs/dbraw/zinc/84/95/40/573849540.db2.gz XHHCZLFAHIPRTC-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO Cc1ccc([C@@H]2[NH2+]C[C@@H]3[C@@H](N)[C@H]23)cc1 238541566 573849549 /nfs/dbraw/zinc/84/95/49/573849549.db2.gz NQGWQTDJLNROFH-QCNOEVLYSA-N 1 3 188.274 1.213 10 0 ADAEHO C[C@H]1C[NH2+]C[C@@H]1CN1CCC(C)(C)C1 87254986 573850614 /nfs/dbraw/zinc/85/06/14/573850614.db2.gz JRWMPJYUMHBSML-WDEREUQCSA-N 1 3 196.338 1.574 10 0 ADAEHO CN[C@H](C[C@@H](C)[NH3+])c1cccs1 259574964 573851264 /nfs/dbraw/zinc/85/12/64/573851264.db2.gz VVPWJKGBCZNPSA-HTQZYQBOSA-N 1 3 184.308 1.746 10 0 ADAEHO CN[C@@H](C[C@H](C)[NH3+])c1cccs1 259574968 573851357 /nfs/dbraw/zinc/85/13/57/573851357.db2.gz VVPWJKGBCZNPSA-YUMQZZPRSA-N 1 3 184.308 1.746 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@H](F)CN)C1 257889367 573850685 /nfs/dbraw/zinc/85/06/85/573850685.db2.gz NEJVFUNFCYVVAA-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@H](F)CN)C1 257889367 573850691 /nfs/dbraw/zinc/85/06/91/573850691.db2.gz NEJVFUNFCYVVAA-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO C/C=C\CC[NH2+][C@@H]1CCNCC1(C)C 308454261 573850730 /nfs/dbraw/zinc/85/07/30/573850730.db2.gz IXCXSMJFVOVYLG-DOGVGXBMSA-N 1 3 196.338 1.930 10 0 ADAEHO Cc1cccc([C@H]([NH3+])C2(CN)CC2)c1 259211876 573851361 /nfs/dbraw/zinc/85/13/61/573851361.db2.gz DXBLAHITFNHEAZ-NSHDSACASA-N 1 3 190.290 1.734 10 0 ADAEHO CCN1CC[C@@H]([C@@]2(C)CCC[NH2+]2)C1 258161300 573850842 /nfs/dbraw/zinc/85/08/42/573850842.db2.gz KYAOBJDYSODJMR-GHMZBOCLSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C)(C)C1 87254987 573850940 /nfs/dbraw/zinc/85/09/40/573850940.db2.gz JRWMPJYUMHBSML-MNOVXSKESA-N 1 3 196.338 1.574 10 0 ADAEHO CN1CC=C(c2cccc(C[NH3+])c2)C1 257888676 573850953 /nfs/dbraw/zinc/85/09/53/573850953.db2.gz WSENCQFCFRMZKA-UHFFFAOYSA-N 1 3 188.274 1.474 10 0 ADAEHO CC1(C)CC[N@H+](C[C@@H]2CCC[C@@H]2N)C1 87255138 573851011 /nfs/dbraw/zinc/85/10/11/573851011.db2.gz GUEXCTBRJBAYBV-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[N@@H+](C[C@@H]2CCC[C@@H]2N)C1 87255138 573851014 /nfs/dbraw/zinc/85/10/14/573851014.db2.gz GUEXCTBRJBAYBV-QWRGUYRKSA-N 1 3 196.338 1.846 10 0 ADAEHO CN[C@H](C[C@H](C)[NH3+])c1cccs1 259574965 573851253 /nfs/dbraw/zinc/85/12/53/573851253.db2.gz VVPWJKGBCZNPSA-JGVFFNPUSA-N 1 3 184.308 1.746 10 0 ADAEHO C[N@@H+]1CCC[C@H](C[C@@H](F)CN)C1 257889370 573852824 /nfs/dbraw/zinc/85/28/24/573852824.db2.gz NEJVFUNFCYVVAA-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO C[N@H+]1CCC[C@H](C[C@@H](F)CN)C1 257889370 573852831 /nfs/dbraw/zinc/85/28/31/573852831.db2.gz NEJVFUNFCYVVAA-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO CCN1CC[C@H]([C@@]2(C)CCC[NH2+]2)C1 258161303 573852994 /nfs/dbraw/zinc/85/29/94/573852994.db2.gz KYAOBJDYSODJMR-WDEREUQCSA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1[NH2+]CC[C@H]1CN1CCC(C)(C)C1 87255041 573853019 /nfs/dbraw/zinc/85/30/19/573853019.db2.gz HOZAOYUZAOEHCU-MNOVXSKESA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CC[N@@H+]([C@H]2CCCNCC2)C1 87259117 573853369 /nfs/dbraw/zinc/85/33/69/573853369.db2.gz AEKNXXSIIHENIV-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)CC[N@H+]([C@H]2CCCNCC2)C1 87259117 573853375 /nfs/dbraw/zinc/85/33/75/573853375.db2.gz AEKNXXSIIHENIV-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC(C)(C)C1 87254984 573854610 /nfs/dbraw/zinc/85/46/10/573854610.db2.gz JRWMPJYUMHBSML-GHMZBOCLSA-N 1 3 196.338 1.574 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2NCCC[C@@H]2C[N@@H+]1C 238166262 573854657 /nfs/dbraw/zinc/85/46/57/573854657.db2.gz GCHWYQIAOPTCNE-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[C@@H]1[C@@H]2NCCC[C@@H]2C[N@H+]1C 238166262 573854665 /nfs/dbraw/zinc/85/46/65/573854665.db2.gz GCHWYQIAOPTCNE-IJLUTSLNSA-N 1 3 196.338 1.715 10 0 ADAEHO C[C@H]1[NH2+]CC[C@@H]1CN1CCC(C)(C)C1 87255045 573854763 /nfs/dbraw/zinc/85/47/63/573854763.db2.gz HOZAOYUZAOEHCU-GHMZBOCLSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87259003 573854777 /nfs/dbraw/zinc/85/47/77/573854777.db2.gz FGQGIJVGXGISMB-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+]1CCC(C)(C)C1 87259003 573854783 /nfs/dbraw/zinc/85/47/83/573854783.db2.gz FGQGIJVGXGISMB-VHSXEESVSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@@H+]1CCC(C)(C)C1 87259010 573854970 /nfs/dbraw/zinc/85/49/70/573854970.db2.gz FGQGIJVGXGISMB-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]([C@H](C)CN)[N@H+]1CCC(C)(C)C1 87259010 573854974 /nfs/dbraw/zinc/85/49/74/573854974.db2.gz FGQGIJVGXGISMB-ZJUUUORDSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCC(C)(C)C1 87254848 573855081 /nfs/dbraw/zinc/85/50/81/573855081.db2.gz RXCYUHZSBNVPHW-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCC(C)(C)C1 87254848 573855086 /nfs/dbraw/zinc/85/50/86/573855086.db2.gz RXCYUHZSBNVPHW-WDEREUQCSA-N 1 3 196.338 1.716 10 0 ADAEHO CC1(C)CCN(CC[C@@H]2CCC[NH2+]2)C1 87255097 573855120 /nfs/dbraw/zinc/85/51/20/573855120.db2.gz YDZNINKZPNDRQM-NSHDSACASA-N 1 3 196.338 1.860 10 0 ADAEHO CCCC1([NH3+])CN(c2ccncc2)C1 84363142 573856561 /nfs/dbraw/zinc/85/65/61/573856561.db2.gz VEDNXSHJCFDNGF-UHFFFAOYSA-N 1 3 191.278 1.399 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2NCCC[C@@H]2C[N@@H+]1C 238166370 573856688 /nfs/dbraw/zinc/85/66/88/573856688.db2.gz GCHWYQIAOPTCNE-UTUOFQBUSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[C@@H]1[C@H]2NCCC[C@@H]2C[N@H+]1C 238166370 573856693 /nfs/dbraw/zinc/85/66/93/573856693.db2.gz GCHWYQIAOPTCNE-UTUOFQBUSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[C@@]1([NH3+])CCCN(C)CC1 84331912 573857056 /nfs/dbraw/zinc/85/70/56/573857056.db2.gz RDQBVHVGRGHDSW-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC1([NH3+])CN(c2ccncc2)C1 84361107 573857751 /nfs/dbraw/zinc/85/77/51/573857751.db2.gz NJHCVBXEIGWGSL-UHFFFAOYSA-N 1 3 177.251 1.009 10 0 ADAEHO CC[C@@H](CNC)C[N@H+](C)C(C)(C)C 258973149 573857437 /nfs/dbraw/zinc/85/74/37/573857437.db2.gz LODFHIZVEHPAHM-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](CNC)C[N@@H+](C)C(C)(C)C 258973149 573857441 /nfs/dbraw/zinc/85/74/41/573857441.db2.gz LODFHIZVEHPAHM-JTQLQIEISA-N 1 3 186.343 1.962 10 0 ADAEHO CN1CC[C@H]([C@H]([NH3+])C(C)(C)C)C1 84331938 573857009 /nfs/dbraw/zinc/85/70/09/573857009.db2.gz GLVXZFRRRLCWLA-IUCAKERBSA-N 1 3 170.300 1.312 10 0 ADAEHO CC[C@H]1[C@@H]([NH3+])CCN1C(C)C 84329193 573860838 /nfs/dbraw/zinc/86/08/38/573860838.db2.gz LNUGLJSSOUEVSV-IUCAKERBSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@]1(CNCCC2CC2)CCCC[NH2+]1 127414565 573860877 /nfs/dbraw/zinc/86/08/77/573860877.db2.gz NIFYERMUCYPGMG-GFCCVEGCSA-N 1 3 196.338 1.908 10 0 ADAEHO CNC[C@@H](C(C)C)[C@H](C)[NH2+]C 259214005 573860884 /nfs/dbraw/zinc/86/08/84/573860884.db2.gz LOGBEYKDERLTGN-IUCAKERBSA-N 1 3 158.289 1.086 10 0 ADAEHO CN[C@@H](C)[C@@H](C[NH2+]C)C(C)C 259214005 573860889 /nfs/dbraw/zinc/86/08/89/573860889.db2.gz LOGBEYKDERLTGN-IUCAKERBSA-N 1 3 158.289 1.086 10 0 ADAEHO CCC[C@@]1([NH3+])CCCN(C)CC1 84331914 573861014 /nfs/dbraw/zinc/86/10/14/573861014.db2.gz ACXSUXIXLBAQNS-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCN(CC)CC[C@@H]([NH3+])C1=COCC1 393653309 573861077 /nfs/dbraw/zinc/86/10/77/573861077.db2.gz BFNWUGWNGYGRDV-LLVKDONJSA-N 1 3 198.310 1.350 10 0 ADAEHO CN1CCCC[C@@H]1[C@@H]([NH3+])C(C)(C)C 84345470 573864224 /nfs/dbraw/zinc/86/42/24/573864224.db2.gz XDVJVKDKXRHCLB-NXEZZACHSA-N 1 3 184.327 1.844 10 0 ADAEHO CN1CCC[C@@]([NH3+])(C2CCCC2)CC1 84360463 573864357 /nfs/dbraw/zinc/86/43/57/573864357.db2.gz URGJFOYCPKEAMW-LBPRGKRZSA-N 1 3 196.338 1.990 10 0 ADAEHO CCC[C@H]([NH2+]C)C(C)(C)CN 259576609 573864548 /nfs/dbraw/zinc/86/45/48/573864548.db2.gz VWLXLZSYULPKHB-QMMMGPOBSA-N 1 3 158.289 1.359 10 0 ADAEHO CNC[C@H](C(C)C)[C@@H](C)[NH2+]C 259214009 573864593 /nfs/dbraw/zinc/86/45/93/573864593.db2.gz LOGBEYKDERLTGN-RKDXNWHRSA-N 1 3 158.289 1.086 10 0 ADAEHO CN[C@H](C)[C@H](C[NH2+]C)C(C)C 259214009 573864595 /nfs/dbraw/zinc/86/45/95/573864595.db2.gz LOGBEYKDERLTGN-RKDXNWHRSA-N 1 3 158.289 1.086 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(C)CC 43820687 573864618 /nfs/dbraw/zinc/86/46/18/573864618.db2.gz KWPXBOIRLRCFGE-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CN1CCCC[C@H]1[C@H]([NH3+])C(C)(C)C 84345466 573864755 /nfs/dbraw/zinc/86/47/55/573864755.db2.gz XDVJVKDKXRHCLB-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO [NH3+]C[C@H]1CCCN2CCCCC[C@@H]12 238555595 573871081 /nfs/dbraw/zinc/87/10/81/573871081.db2.gz XUMSYDVTNRQYLP-MNOVXSKESA-N 1 3 182.311 1.600 10 0 ADAEHO CC[NH2+][C@@H](C)CCN(C)CC1CC1 43906232 573871099 /nfs/dbraw/zinc/87/10/99/573871099.db2.gz LHOWQCZZJISRPF-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[C@@H](C)CN(C)CC[C@@H](C)[NH2+]C 43889603 573871588 /nfs/dbraw/zinc/87/15/88/573871588.db2.gz UORGSGFDIKBLFL-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)C[N@H+](C)CC[C@@H](C)NC 43889603 573871594 /nfs/dbraw/zinc/87/15/94/573871594.db2.gz UORGSGFDIKBLFL-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@@H](C)C[N@@H+](C)CC[C@@H](C)NC 43889603 573871598 /nfs/dbraw/zinc/87/15/98/573871598.db2.gz UORGSGFDIKBLFL-GHMZBOCLSA-N 1 3 186.343 1.962 10 0 ADAEHO C[NH2+][C@H](C)c1ccc(F)c(CN)c1 257889404 573871612 /nfs/dbraw/zinc/87/16/12/573871612.db2.gz NFPRQFYKXPVTBS-SSDOTTSWSA-N 1 3 182.242 1.565 10 0 ADAEHO C[NH2+]CC1(CN(C)CCC(C)C)CC1 258978567 573871644 /nfs/dbraw/zinc/87/16/44/573871644.db2.gz UJLPFGOSTSMUCG-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC1(C[N@H+](C)CCC(C)C)CC1 258978567 573871649 /nfs/dbraw/zinc/87/16/49/573871649.db2.gz UJLPFGOSTSMUCG-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CNCC1(C[N@@H+](C)CCC(C)C)CC1 258978567 573871657 /nfs/dbraw/zinc/87/16/57/573871657.db2.gz UJLPFGOSTSMUCG-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CN1CCC([C@@H]2[NH2+]C(C)(C)CO2)CC1 258518096 573871670 /nfs/dbraw/zinc/87/16/70/573871670.db2.gz MYSAMVTYHAQADI-SNVBAGLBSA-N 1 3 198.310 1.053 10 0 ADAEHO CC[C@H](N)[C@H]([NH+]1CCC1)C(C)(C)C 393567428 573873009 /nfs/dbraw/zinc/87/30/09/573873009.db2.gz OGXQVMYMEZXUMK-UWVGGRQHSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCN(CC)CC[C@@H](C)[NH2+]C 43884479 573873878 /nfs/dbraw/zinc/87/38/78/573873878.db2.gz WBEKTELYWWWDHT-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[N@H+](CC)CC[C@@H](C)NC 43884479 573873884 /nfs/dbraw/zinc/87/38/84/573873884.db2.gz WBEKTELYWWWDHT-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[N@@H+](CC)CC[C@@H](C)NC 43884479 573873890 /nfs/dbraw/zinc/87/38/90/573873890.db2.gz WBEKTELYWWWDHT-SNVBAGLBSA-N 1 3 172.316 1.716 10 0 ADAEHO [NH3+]C[C@H]1CCCN[C@H]1c1cccs1 238555978 573873964 /nfs/dbraw/zinc/87/39/64/573873964.db2.gz DHUYPRDDZQVKBI-PSASIEDQSA-N 1 3 196.319 1.748 10 0 ADAEHO CC[C@@H](NC)[C@@H](C)[N@@H+]1CCC[C@@H]1C 43902491 573874122 /nfs/dbraw/zinc/87/41/22/573874122.db2.gz YJYLNULENJHDKY-HBNTYKKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@@H](NC)[C@@H](C)[N@H+]1CCC[C@@H]1C 43902491 573874130 /nfs/dbraw/zinc/87/41/30/573874130.db2.gz YJYLNULENJHDKY-HBNTYKKESA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](C)CN(C)CC[C@@H](C)[NH2+]C 43889605 573874346 /nfs/dbraw/zinc/87/43/46/573874346.db2.gz UORGSGFDIKBLFL-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C)C[N@H+](C)CC[C@@H](C)NC 43889605 573874352 /nfs/dbraw/zinc/87/43/52/573874352.db2.gz UORGSGFDIKBLFL-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO CC[C@H](C)C[N@@H+](C)CC[C@@H](C)NC 43889605 573874355 /nfs/dbraw/zinc/87/43/55/573874355.db2.gz UORGSGFDIKBLFL-WDEREUQCSA-N 1 3 186.343 1.962 10 0 ADAEHO C[C@H](C1CNC1)[NH+]1CCCCCCC1 686255737 573875012 /nfs/dbraw/zinc/87/50/12/573875012.db2.gz RYLJQDBONNAURM-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CN[C@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C)C1 43908045 573875071 /nfs/dbraw/zinc/87/50/71/573875071.db2.gz GBHCVSFXDJEGFA-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CN[C@H]1CCC[C@H]1[N@H+]1CC[C@@H](C)C1 43908045 573875073 /nfs/dbraw/zinc/87/50/73/573875073.db2.gz GBHCVSFXDJEGFA-OUAUKWLOSA-N 1 3 182.311 1.469 10 0 ADAEHO CCCN(C)CC[C@H](C)[NH2+]C 43885995 573875114 /nfs/dbraw/zinc/87/51/14/573875114.db2.gz DANPZOHIFFLMKI-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CC[C@H](NC)[C@@H](C)[N@@H+]1CCC[C@@H]1C 43902487 573875244 /nfs/dbraw/zinc/87/52/44/573875244.db2.gz YJYLNULENJHDKY-AXFHLTTASA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](NC)[C@@H](C)[N@H+]1CCC[C@@H]1C 43902487 573875248 /nfs/dbraw/zinc/87/52/48/573875248.db2.gz YJYLNULENJHDKY-AXFHLTTASA-N 1 3 184.327 1.857 10 0 ADAEHO CCCN(C)CC[C@H](C)[NH2+]CC 43886207 573875288 /nfs/dbraw/zinc/87/52/88/573875288.db2.gz WZFNFRMJNVCARQ-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCCN(CC)CC[C@H](C)[NH2+]C 43884481 573875326 /nfs/dbraw/zinc/87/53/26/573875326.db2.gz WBEKTELYWWWDHT-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[N@H+](CC)CC[C@H](C)NC 43884481 573875332 /nfs/dbraw/zinc/87/53/32/573875332.db2.gz WBEKTELYWWWDHT-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[N@@H+](CC)CC[C@H](C)NC 43884481 573875336 /nfs/dbraw/zinc/87/53/36/573875336.db2.gz WBEKTELYWWWDHT-JTQLQIEISA-N 1 3 172.316 1.716 10 0 ADAEHO CC[C@H](NC)[C@H](C)[N@@H+]1CCC[C@@H]1C 43902495 573875549 /nfs/dbraw/zinc/87/55/49/573875549.db2.gz YJYLNULENJHDKY-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](NC)[C@H](C)[N@H+]1CCC[C@@H]1C 43902495 573875554 /nfs/dbraw/zinc/87/55/54/573875554.db2.gz YJYLNULENJHDKY-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H](N)[C@@H]([NH+]1CCC1)C(C)(C)C 393567429 573875589 /nfs/dbraw/zinc/87/55/89/573875589.db2.gz OGXQVMYMEZXUMK-VHSXEESVSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](CN)C[NH2+]CCC(C)(C)C 258983181 573877277 /nfs/dbraw/zinc/87/72/77/573877277.db2.gz MHVILCRHDNIPRF-SNVBAGLBSA-N 1 3 186.343 1.997 10 0 ADAEHO CN[C@H](CC(C)C)[C@H]1CCCC[NH2+]1 259578912 573879174 /nfs/dbraw/zinc/87/91/74/573879174.db2.gz XDHUPERUZDUVFN-GHMZBOCLSA-N 1 3 184.327 1.763 10 0 ADAEHO C1CC(CNCC[C@@H]2CCC[NH2+]2)C1 258981212 573879234 /nfs/dbraw/zinc/87/92/34/573879234.db2.gz LALQEQMQLITBSA-NSHDSACASA-N 1 3 182.311 1.518 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[NH+]1CCCCC1 80089120 573879409 /nfs/dbraw/zinc/87/94/09/573879409.db2.gz AVDMXECPHHHJNQ-VHSXEESVSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC[NH2+]C[C@@H]1CCN(C(C)C)C1 40621936 573879484 /nfs/dbraw/zinc/87/94/84/573879484.db2.gz VFPSQTULXPQQHN-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CN[C@@H](CC(C)C)[C@H]1CCCC[NH2+]1 259578913 573879587 /nfs/dbraw/zinc/87/95/87/573879587.db2.gz XDHUPERUZDUVFN-MNOVXSKESA-N 1 3 184.327 1.763 10 0 ADAEHO CNCC1(C[N@H+](C)C2CCCC2)CC1 258980481 573879649 /nfs/dbraw/zinc/87/96/49/573879649.db2.gz UPIPUKLADQJFNG-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO CNCC1(C[N@@H+](C)C2CCCC2)CC1 258980481 573879657 /nfs/dbraw/zinc/87/96/57/573879657.db2.gz UPIPUKLADQJFNG-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[NH2+]CC1(CN(C)C2CCCC2)CC1 258980481 573879659 /nfs/dbraw/zinc/87/96/59/573879659.db2.gz UPIPUKLADQJFNG-UHFFFAOYSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H](C1CCC1)N1CCC[NH2+]CC1 76580742 573879868 /nfs/dbraw/zinc/87/98/68/573879868.db2.gz NIOPTJBMRBGZAV-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO C1CC(CNCC[C@H]2CCC[NH2+]2)C1 258981210 573880771 /nfs/dbraw/zinc/88/07/71/573880771.db2.gz LALQEQMQLITBSA-LLVKDONJSA-N 1 3 182.311 1.518 10 0 ADAEHO CC(C)[N@@H+]1CCC(C)(C)[C@H](CN)C1 259218258 573881067 /nfs/dbraw/zinc/88/10/67/573881067.db2.gz KEDIFLNBNGIFED-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[N@H+]1CCC(C)(C)[C@H](CN)C1 259218258 573881070 /nfs/dbraw/zinc/88/10/70/573881070.db2.gz KEDIFLNBNGIFED-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CC[NH3+])c1ncc2ccccn12 259579082 573883272 /nfs/dbraw/zinc/88/32/72/573883272.db2.gz UFLZKLFZJFMXRX-VIFPVBQESA-N 1 3 189.262 1.787 10 0 ADAEHO CC[C@@H](C)N1CCC[C@@H]([NH3+])C1(C)C 259219813 573883290 /nfs/dbraw/zinc/88/32/90/573883290.db2.gz CYAGBIOZIDZDJE-NXEZZACHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC[C@](C)(N)C[N@H+](C)C1CCC1 127503399 573883643 /nfs/dbraw/zinc/88/36/43/573883643.db2.gz DWUQPQUIRLTLKH-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@](C)(N)C[N@@H+](C)C1CCC1 127503399 573883645 /nfs/dbraw/zinc/88/36/45/573883645.db2.gz DWUQPQUIRLTLKH-JTQLQIEISA-N 1 3 170.300 1.598 10 0 ADAEHO [NH3+]C[C@@H]1CCCN[C@H]1c1cccs1 238560513 573885234 /nfs/dbraw/zinc/88/52/34/573885234.db2.gz DHUYPRDDZQVKBI-WCBMZHEXSA-N 1 3 196.319 1.748 10 0 ADAEHO CC[C@@](C)(N)C[N@H+](C)C1CCC1 127503630 573885252 /nfs/dbraw/zinc/88/52/52/573885252.db2.gz DWUQPQUIRLTLKH-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CC[C@@](C)(N)C[N@@H+](C)C1CCC1 127503630 573885261 /nfs/dbraw/zinc/88/52/61/573885261.db2.gz DWUQPQUIRLTLKH-SNVBAGLBSA-N 1 3 170.300 1.598 10 0 ADAEHO CNCC1([C@@H]([NH2+]C)C(C)C)CCC1 259577143 573885367 /nfs/dbraw/zinc/88/53/67/573885367.db2.gz WZNIAPJVMCTAHS-JTQLQIEISA-N 1 3 184.327 1.620 10 0 ADAEHO CC[C@@H](C)N1CCC[C@H]([NH3+])C1(C)C 259219826 573885655 /nfs/dbraw/zinc/88/56/55/573885655.db2.gz CYAGBIOZIDZDJE-ZJUUUORDSA-N 1 3 184.327 1.987 10 0 ADAEHO C[C@@H](CN)C[NH2+]CC1(C2CC2)CCC1 393653538 573889728 /nfs/dbraw/zinc/88/97/28/573889728.db2.gz RKRGGECFZOTVMU-JTQLQIEISA-N 1 3 196.338 1.751 10 0 ADAEHO N[C@H]1CC[C@H]2CCCCC[N@@H+]2C1 238562026 573889936 /nfs/dbraw/zinc/88/99/36/573889936.db2.gz HWVRHOXBGOLEMR-VHSXEESVSA-N 1 3 168.284 1.352 10 0 ADAEHO N[C@H]1CC[C@H]2CCCCC[N@H+]2C1 238562026 573889940 /nfs/dbraw/zinc/88/99/40/573889940.db2.gz HWVRHOXBGOLEMR-VHSXEESVSA-N 1 3 168.284 1.352 10 0 ADAEHO N[C@@H]1CC2C[C@@H]([NH3+])C1c1ccccc12 238563584 573893884 /nfs/dbraw/zinc/89/38/84/573893884.db2.gz KEURIAHRKBRZES-JUCICKSZSA-N 1 3 188.274 1.316 10 0 ADAEHO Cc1cc(C)c([C@@H](N)CC[NH3+])cc1C 259221882 573893499 /nfs/dbraw/zinc/89/34/99/573893499.db2.gz GXTKKDMLLCWNRS-LBPRGKRZSA-N 1 3 192.306 1.960 10 0 ADAEHO C[C@@H](N1C[C@@H]2C[NH2+]C[C@@H]2C1)C1(C)CC1 87365045 573893516 /nfs/dbraw/zinc/89/35/16/573893516.db2.gz JHLNAQPHRXEOKS-MXWKQRLJSA-N 1 3 194.322 1.326 10 0 ADAEHO C[NH+]1CCC2(CC1)C[C@@H](F)CCN2 258987895 573893681 /nfs/dbraw/zinc/89/36/81/573893681.db2.gz VWXUMEVPUIFENU-VIFPVBQESA-N 1 3 186.274 1.172 10 0 ADAEHO C1=C(CNC2CCC2)C[NH2+]CC1 257902216 573895030 /nfs/dbraw/zinc/89/50/30/573895030.db2.gz HWJPLHLPMGVUHU-UHFFFAOYSA-N 1 3 166.268 1.048 10 0 ADAEHO C1=C(C[NH2+]C2CCC2)CNCC1 257902216 573895037 /nfs/dbraw/zinc/89/50/37/573895037.db2.gz HWJPLHLPMGVUHU-UHFFFAOYSA-N 1 3 166.268 1.048 10 0 ADAEHO CC(C)C[N@@H+]1CCC[C@@H](N)CC1 76598311 573895157 /nfs/dbraw/zinc/89/51/57/573895157.db2.gz NKMYSNHJPGLWOO-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)C[N@H+]1CCC[C@@H](N)CC1 76598311 573895163 /nfs/dbraw/zinc/89/51/63/573895163.db2.gz NKMYSNHJPGLWOO-SNVBAGLBSA-N 1 3 170.300 1.456 10 0 ADAEHO CCC(N)(CC)C[N@H+](C)C1CCC1 127526415 573895181 /nfs/dbraw/zinc/89/51/81/573895181.db2.gz OXUHWDQWJLFXJL-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO CCC(N)(CC)C[N@@H+](C)C1CCC1 127526415 573895189 /nfs/dbraw/zinc/89/51/89/573895189.db2.gz OXUHWDQWJLFXJL-UHFFFAOYSA-N 1 3 184.327 1.988 10 0 ADAEHO NC1(C[C@H]2CCCC[NH2+]2)CCC1 257902374 573895221 /nfs/dbraw/zinc/89/52/21/573895221.db2.gz DOWUPFASHPIQLF-SECBINFHSA-N 1 3 168.284 1.400 10 0 ADAEHO [NH3+]C1(C[C@H]2CCCCN2)CCC1 257902374 573895227 /nfs/dbraw/zinc/89/52/27/573895227.db2.gz DOWUPFASHPIQLF-SECBINFHSA-N 1 3 168.284 1.400 10 0 ADAEHO C[C@H](N1C[C@@H]2C[NH2+]C[C@@H]2C1)C1(C)CC1 87365043 573895318 /nfs/dbraw/zinc/89/53/18/573895318.db2.gz JHLNAQPHRXEOKS-GARJFASQSA-N 1 3 194.322 1.326 10 0 ADAEHO CC(C)C[N@@H+]1CCC[C@H](N)CC1 76598309 573895349 /nfs/dbraw/zinc/89/53/49/573895349.db2.gz NKMYSNHJPGLWOO-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)C[N@H+]1CCC[C@H](N)CC1 76598309 573895355 /nfs/dbraw/zinc/89/53/55/573895355.db2.gz NKMYSNHJPGLWOO-JTQLQIEISA-N 1 3 170.300 1.456 10 0 ADAEHO [NH3+]C1CC(CNc2ccncc2)C1 84447935 573895602 /nfs/dbraw/zinc/89/56/02/573895602.db2.gz XINDKXISZFEZDO-UHFFFAOYSA-N 1 3 177.251 1.231 10 0 ADAEHO CCn1ccnc1NCC1CC([NH3+])C1 84447784 573895654 /nfs/dbraw/zinc/89/56/54/573895654.db2.gz DHDDVMOPJOGSPP-UHFFFAOYSA-N 1 3 194.282 1.052 10 0 ADAEHO CCC[C@@H]([NH3+])CCN(C)C1CCC1 127528500 573896743 /nfs/dbraw/zinc/89/67/43/573896743.db2.gz OKNKAWAWLKMVNM-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO CN(CC1(C[NH3+])CCCC1)C1CCC1 127527563 573896022 /nfs/dbraw/zinc/89/60/22/573896022.db2.gz YCRRFGCYZVKDMX-UHFFFAOYSA-N 1 3 196.338 1.990 10 0 ADAEHO C[NH2+]CCCCNCc1cncs1 131623507 573896060 /nfs/dbraw/zinc/89/60/60/573896060.db2.gz OYQQRDHDRYMUTI-UHFFFAOYSA-N 1 3 199.323 1.232 10 0 ADAEHO C[NH2+][C@@H](C1CCC1)[C@@H](CN)C(C)C 259224611 573896073 /nfs/dbraw/zinc/89/60/73/573896073.db2.gz MFBSRAMTMIYVGF-QWRGUYRKSA-N 1 3 184.327 1.605 10 0 ADAEHO CCCC[C@H](N)C[N@H+](C)C1CCC1 127530044 573896239 /nfs/dbraw/zinc/89/62/39/573896239.db2.gz VYGBAHDNZGFGHL-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCCC[C@H](N)C[N@@H+](C)C1CCC1 127530044 573896250 /nfs/dbraw/zinc/89/62/50/573896250.db2.gz VYGBAHDNZGFGHL-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCC[C@H]([NH3+])CCN(C)C1CCC1 127528305 573896412 /nfs/dbraw/zinc/89/64/12/573896412.db2.gz OKNKAWAWLKMVNM-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@H]1C 393553102 573896671 /nfs/dbraw/zinc/89/66/71/573896671.db2.gz WEWGIOLAJFQBGM-GMTAPVOTSA-N 1 3 184.327 1.605 10 0 ADAEHO C[NH2+][C@@H](C1CCC1)[C@H](CN)C(C)C 259224608 573898125 /nfs/dbraw/zinc/89/81/25/573898125.db2.gz MFBSRAMTMIYVGF-MNOVXSKESA-N 1 3 184.327 1.605 10 0 ADAEHO CC(C)[C@@H](CN)C[N@H+](C)C1CCC1 127531959 573900994 /nfs/dbraw/zinc/90/09/94/573900994.db2.gz WHQVZYJQGWKEJY-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H](CN)C[N@@H+](C)C1CCC1 127531959 573900996 /nfs/dbraw/zinc/90/09/96/573900996.db2.gz WHQVZYJQGWKEJY-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H](C[NH3+])CN(C)C1CCC1 127531959 573901000 /nfs/dbraw/zinc/90/10/00/573901000.db2.gz WHQVZYJQGWKEJY-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H](CN)C[NH2+][C@H]1CC[C@@H]1C 393553101 573900355 /nfs/dbraw/zinc/90/03/55/573900355.db2.gz WEWGIOLAJFQBGM-AXFHLTTASA-N 1 3 184.327 1.605 10 0 ADAEHO C[C@H](CCNCC[NH3+])c1ccccc1 44427752 573902522 /nfs/dbraw/zinc/90/25/22/573902522.db2.gz UJTADGQHLQRVGD-LLVKDONJSA-N 1 3 192.306 1.729 10 0 ADAEHO CC[C@H](CC(N)=[NH2+])N(C)C1CCC1 127474704 573901976 /nfs/dbraw/zinc/90/19/76/573901976.db2.gz IFWMYSBLXAZFPO-MRVPVSSYSA-N 1 3 183.299 1.575 10 0 ADAEHO CN1CCC[C@@H]2[NH2+]C(C)(C)C[C@@H]2C1 76607476 573902233 /nfs/dbraw/zinc/90/22/33/573902233.db2.gz UKQPXTVZVWEMDK-ZJUUUORDSA-N 1 3 182.311 1.469 10 0 ADAEHO CCC[C@@H](N)[C@@H](CC)C[NH2+]C 259226080 573902377 /nfs/dbraw/zinc/90/23/77/573902377.db2.gz FJIIKXUMYWQEEM-DTWKUNHWSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@@H]([NH3+])[C@@H](CC)CNC 259226080 573902381 /nfs/dbraw/zinc/90/23/81/573902381.db2.gz FJIIKXUMYWQEEM-DTWKUNHWSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@H](N)[C@@H](CC)C[NH2+]C 259226083 573904473 /nfs/dbraw/zinc/90/44/73/573904473.db2.gz FJIIKXUMYWQEEM-IUCAKERBSA-N 1 3 158.289 1.359 10 0 ADAEHO CCC[C@H]([NH3+])[C@@H](CC)CNC 259226083 573904476 /nfs/dbraw/zinc/90/44/76/573904476.db2.gz FJIIKXUMYWQEEM-IUCAKERBSA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H]([NH2+][C@@H](C)C1CNC1)C1CCC1 686251387 573904718 /nfs/dbraw/zinc/90/47/18/573904718.db2.gz ZQHQAMIAHVWFMI-JOYOIKCWSA-N 1 3 196.338 1.763 10 0 ADAEHO CN[C@H](CCC[NH2+]C)c1ccccn1 259225378 573904855 /nfs/dbraw/zinc/90/48/55/573904855.db2.gz GHROPJYDXQDSEL-SNVBAGLBSA-N 1 3 193.294 1.342 10 0 ADAEHO CCN[C@H](C)C[N@@H+]1CCC[C@H]1CC 44472149 573906532 /nfs/dbraw/zinc/90/65/32/573906532.db2.gz GVEHPAAGQHNLOH-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCN[C@H](C)C[N@H+]1CCC[C@H]1CC 44472149 573906537 /nfs/dbraw/zinc/90/65/37/573906537.db2.gz GVEHPAAGQHNLOH-GHMZBOCLSA-N 1 3 184.327 1.859 10 0 ADAEHO CCC[C@H](N(C)C)C1(C[NH3+])CCC1 259228502 573906550 /nfs/dbraw/zinc/90/65/50/573906550.db2.gz ASMWYVBDEFHJGN-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+][C@@H](C1CCC1)[C@H]1CCCNC1 259233097 573906670 /nfs/dbraw/zinc/90/66/70/573906670.db2.gz GMQWUHGOHNWTGR-QWRGUYRKSA-N 1 3 182.311 1.374 10 0 ADAEHO C[C@H]1CO[C@@H](CC2CCN(C)CC2)[NH2+]1 258452865 573906736 /nfs/dbraw/zinc/90/67/36/573906736.db2.gz KFENEKADCWDVEK-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@H]1CO[C@@H](CC2CC[NH+](C)CC2)N1 258452865 573906738 /nfs/dbraw/zinc/90/67/38/573906738.db2.gz KFENEKADCWDVEK-ONGXEEELSA-N 1 3 198.310 1.053 10 0 ADAEHO C[NH2+][C@@H]([C@H](C)CN)C(C)(C)C 259580277 573906821 /nfs/dbraw/zinc/90/68/21/573906821.db2.gz WBEPMMNQOMJNEJ-SFYZADRCSA-N 1 3 158.289 1.215 10 0 ADAEHO CN(CCC1([NH3+])CCC1)C1CCC1 127545565 573908374 /nfs/dbraw/zinc/90/83/74/573908374.db2.gz KNLZFLSSCPPVOL-UHFFFAOYSA-N 1 3 182.311 1.742 10 0 ADAEHO CC(C)[C@H]1C[C@H](N)C[C@@H]2CCC[N@@H+]21 238195432 573908504 /nfs/dbraw/zinc/90/85/04/573908504.db2.gz QBXVELHNVWFIRX-OUAUKWLOSA-N 1 3 182.311 1.597 10 0 ADAEHO CC(C)[C@H]1C[C@H](N)C[C@@H]2CCC[N@H+]21 238195432 573908511 /nfs/dbraw/zinc/90/85/11/573908511.db2.gz QBXVELHNVWFIRX-OUAUKWLOSA-N 1 3 182.311 1.597 10 0 ADAEHO CC[C@H](C)C[NH2+][C@H](C)C1CNC1 686243772 573908568 /nfs/dbraw/zinc/90/85/68/573908568.db2.gz VCNKAJLSTPUVAN-DTWKUNHWSA-N 1 3 170.300 1.230 10 0 ADAEHO C[C@@H]1CO[C@@H](CC2CCN(C)CC2)[NH2+]1 258452837 573908570 /nfs/dbraw/zinc/90/85/70/573908570.db2.gz KFENEKADCWDVEK-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO C[C@@H]1CO[C@@H](CC2CC[NH+](C)CC2)N1 258452837 573908573 /nfs/dbraw/zinc/90/85/73/573908573.db2.gz KFENEKADCWDVEK-KOLCDFICSA-N 1 3 198.310 1.053 10 0 ADAEHO [NH3+]C1([C@@H]2CCCCN2)CCC1 258178995 573908795 /nfs/dbraw/zinc/90/87/95/573908795.db2.gz XYUQZOZHVAYYKB-QMMMGPOBSA-N 1 3 154.257 1.010 10 0 ADAEHO CCCCC[N@@H+]1CC[C@@H](CN)[C@@H]1C 259234315 573908876 /nfs/dbraw/zinc/90/88/76/573908876.db2.gz DOZLEZAJNBLPHC-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@H+]1CC[C@@H](CN)[C@@H]1C 259234315 573908880 /nfs/dbraw/zinc/90/88/80/573908880.db2.gz DOZLEZAJNBLPHC-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO C[NH2+][C@H](C1CCC1)[C@H]1CCCNC1 259233099 573908958 /nfs/dbraw/zinc/90/89/58/573908958.db2.gz GMQWUHGOHNWTGR-WDEREUQCSA-N 1 3 182.311 1.374 10 0 ADAEHO CCCCC[N@@H+]1CC[C@H](CN)[C@H]1C 259234306 573909107 /nfs/dbraw/zinc/90/91/07/573909107.db2.gz DOZLEZAJNBLPHC-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@H+]1CC[C@H](CN)[C@H]1C 259234306 573909110 /nfs/dbraw/zinc/90/91/10/573909110.db2.gz DOZLEZAJNBLPHC-GHMZBOCLSA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@@H](C)C[NH2+][C@H](C)C1CNC1 686243776 573909247 /nfs/dbraw/zinc/90/92/47/573909247.db2.gz VCNKAJLSTPUVAN-RKDXNWHRSA-N 1 3 170.300 1.230 10 0 ADAEHO NCCC[NH2+]CCCC1CC1 80824352 573910233 /nfs/dbraw/zinc/91/02/33/573910233.db2.gz VRUPAWHPSJEEEK-UHFFFAOYSA-N 1 3 156.273 1.115 10 0 ADAEHO C[NH+](C)CCCCNc1ccncc1 41675835 573910305 /nfs/dbraw/zinc/91/03/05/573910305.db2.gz UIHNLDZOKPBGLC-UHFFFAOYSA-N 1 3 193.294 1.835 10 0 ADAEHO CC[C@H](CNC)[C@H](C1CCC1)[NH+](C)C 259232385 573910399 /nfs/dbraw/zinc/91/03/99/573910399.db2.gz QTQPBCHKIGKHHP-ZYHUDNBSSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@H](C1CCC1)N(C)C 259232385 573910405 /nfs/dbraw/zinc/91/04/05/573910405.db2.gz QTQPBCHKIGKHHP-ZYHUDNBSSA-N 1 3 198.354 1.962 10 0 ADAEHO CC[C@@H](CN)C[N@H+](C)C1CCC1 127552323 573910449 /nfs/dbraw/zinc/91/04/49/573910449.db2.gz JFADTXUKDCPOJM-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](CN)C[N@@H+](C)C1CCC1 127552323 573910456 /nfs/dbraw/zinc/91/04/56/573910456.db2.gz JFADTXUKDCPOJM-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[C@@H](C[NH3+])CN(C)C1CCC1 127552323 573910460 /nfs/dbraw/zinc/91/04/60/573910460.db2.gz JFADTXUKDCPOJM-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC(C)(C)C[C@H](N)C[NH+]1CCCC1 258179412 573910465 /nfs/dbraw/zinc/91/04/65/573910465.db2.gz OLRMTGJQVXZYCH-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CN[C@@H](c1cc[nH]c1)C1(C[NH3+])CC1 259580589 573910597 /nfs/dbraw/zinc/91/05/97/573910597.db2.gz XFXBSLURSHNHIC-VIFPVBQESA-N 1 3 179.267 1.014 10 0 ADAEHO C[NH2+][C@@H](c1cc[nH]c1)C1(CN)CC1 259580589 573910602 /nfs/dbraw/zinc/91/06/02/573910602.db2.gz XFXBSLURSHNHIC-VIFPVBQESA-N 1 3 179.267 1.014 10 0 ADAEHO CCCCC[N@@H+]1CC[C@@H](CN)[C@H]1C 259234309 573910822 /nfs/dbraw/zinc/91/08/22/573910822.db2.gz DOZLEZAJNBLPHC-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCCC[N@H+]1CC[C@@H](CN)[C@H]1C 259234309 573910825 /nfs/dbraw/zinc/91/08/25/573910825.db2.gz DOZLEZAJNBLPHC-MNOVXSKESA-N 1 3 184.327 1.846 10 0 ADAEHO CCCc1ncc2ccc(C[NH3+])cn12 257896417 573910915 /nfs/dbraw/zinc/91/09/15/573910915.db2.gz FGBGMLSOASTTGT-UHFFFAOYSA-N 1 3 189.262 1.746 10 0 ADAEHO C[C@H](C[NH3+])[C@H](N)c1ccccc1 80826472 573911062 /nfs/dbraw/zinc/91/10/62/573911062.db2.gz UAMKLRDJWTWGBE-SCZZXKLOSA-N 1 3 164.252 1.281 10 0 ADAEHO C[NH2+][C@H](C1CCC1)[C@@H]1CCCNC1 259233091 573911220 /nfs/dbraw/zinc/91/12/20/573911220.db2.gz GMQWUHGOHNWTGR-GHMZBOCLSA-N 1 3 182.311 1.374 10 0 ADAEHO C[NH2+][C@H](C)c1ccc(CN)s1 258453326 573911306 /nfs/dbraw/zinc/91/13/06/573911306.db2.gz GFBASHZNHJLHCJ-ZCFIWIBFSA-N 1 3 170.281 1.487 10 0 ADAEHO [NH3+]C1([C@H]2CCCCN2)CCC1 258178993 573911498 /nfs/dbraw/zinc/91/14/98/573911498.db2.gz XYUQZOZHVAYYKB-MRVPVSSYSA-N 1 3 154.257 1.010 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](NC)c1cc[nH]c1 259237705 573913574 /nfs/dbraw/zinc/91/35/74/573913574.db2.gz MZOFASAZGCVQEG-SCZZXKLOSA-N 1 3 181.283 1.260 10 0 ADAEHO C[N@@H+]1CC[C@@H](N)[C@@H]1Cc1ccccc1 76634740 573912798 /nfs/dbraw/zinc/91/27/98/573912798.db2.gz HIMRPNVGMLWXDM-NEPJUHHUSA-N 1 3 190.290 1.261 10 0 ADAEHO C[N@H+]1CC[C@@H](N)[C@@H]1Cc1ccccc1 76634740 573912803 /nfs/dbraw/zinc/91/28/03/573912803.db2.gz HIMRPNVGMLWXDM-NEPJUHHUSA-N 1 3 190.290 1.261 10 0 ADAEHO C[C@H](C[NH3+])CCN(C)c1ccncc1 259002082 573912843 /nfs/dbraw/zinc/91/28/43/573912843.db2.gz WVKATHRHQNJXAS-JTQLQIEISA-N 1 3 193.294 1.503 10 0 ADAEHO CN1CC=C(C(C)(C)C[NH3+])CC1 258453322 573913175 /nfs/dbraw/zinc/91/31/75/573913175.db2.gz GEVNJOLKDBUDBE-UHFFFAOYSA-N 1 3 168.284 1.233 10 0 ADAEHO CC(C)CC[N@@H+]1CCC[C@H]1CCN 259238709 573913266 /nfs/dbraw/zinc/91/32/66/573913266.db2.gz LNFGXFIATCCJHC-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)CC[N@H+]1CCC[C@H]1CCN 259238709 573913269 /nfs/dbraw/zinc/91/32/69/573913269.db2.gz LNFGXFIATCCJHC-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(CC)Cc1cnccc1C[NH3+] 257898245 573917311 /nfs/dbraw/zinc/91/73/11/573917311.db2.gz YJXXLTXSSQRLEY-UHFFFAOYSA-N 1 3 193.294 1.382 10 0 ADAEHO CC[C@@]1(CN(C)C2CCC2)CC[NH2+]C1 127560866 573916614 /nfs/dbraw/zinc/91/66/14/573916614.db2.gz XZESNOYKSCGGIC-GFCCVEGCSA-N 1 3 196.338 1.860 10 0 ADAEHO CCCNCC[C@H]1CCC[NH2+]1 42172250 573916729 /nfs/dbraw/zinc/91/67/29/573916729.db2.gz GWEXUZYWRSHINR-SECBINFHSA-N 1 3 156.273 1.128 10 0 ADAEHO CC[C@@H](C[NH3+])[C@H](NC)c1cc[nH]c1 259237711 573916832 /nfs/dbraw/zinc/91/68/32/573916832.db2.gz MZOFASAZGCVQEG-WPRPVWTQSA-N 1 3 181.283 1.260 10 0 ADAEHO CCNCCC[NH2+]CCC(C)C 127568186 573917102 /nfs/dbraw/zinc/91/71/02/573917102.db2.gz DJEIOGHXBRQZRB-UHFFFAOYSA-N 1 3 172.316 1.622 10 0 ADAEHO CC(C)CN(C)CC[C@H]1CCC[NH2+]1 42172011 573918296 /nfs/dbraw/zinc/91/82/96/573918296.db2.gz WLPRDJLFPXRXIG-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO C[C@@](C[NH3+])(C[C@H]1CCCO1)NC1CC1 689869794 573918298 /nfs/dbraw/zinc/91/82/98/573918298.db2.gz XWXASFSLUGSVIF-MNOVXSKESA-N 1 3 198.310 1.025 10 0 ADAEHO CC[C@H](C[NH2+]C)CN(C)C1CCC1 259005421 573918419 /nfs/dbraw/zinc/91/84/19/573918419.db2.gz OGGBPRXXZMPHEJ-SNVBAGLBSA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)[C@H]1[C@H](CN)CCCC[N@@H+]1C 238186811 573918465 /nfs/dbraw/zinc/91/84/65/573918465.db2.gz RLJBTGBBVDLWAJ-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@H]1[C@H](CN)CCCC[N@H+]1C 238186811 573918468 /nfs/dbraw/zinc/91/84/68/573918468.db2.gz RLJBTGBBVDLWAJ-QWRGUYRKSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@](C[NH3+])(C[C@H]1CCCO1)NC1CC1 689869793 573918470 /nfs/dbraw/zinc/91/84/70/573918470.db2.gz XWXASFSLUGSVIF-GHMZBOCLSA-N 1 3 198.310 1.025 10 0 ADAEHO CC[C@H](C)N(C)CC[C@@H]1CCC[NH2+]1 42172015 573918571 /nfs/dbraw/zinc/91/85/71/573918571.db2.gz CSEZQZLDYWEHPR-QWRGUYRKSA-N 1 3 184.327 1.859 10 0 ADAEHO CC[C@H](C[NH2+]C)[C@@H](N)CC(C)C 259581783 573918889 /nfs/dbraw/zinc/91/88/89/573918889.db2.gz WCWIVQFQBWWKKI-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO CN(CC[C@@H]1CCC[NH2+]1)CC1CC1 42172211 573919027 /nfs/dbraw/zinc/91/90/27/573919027.db2.gz HVZZNDQCEIMCLL-NSHDSACASA-N 1 3 182.311 1.470 10 0 ADAEHO CC(C)[C@@H]1C[C@H](N)C[C@@H]2CCC[N@@H+]21 238186995 573921073 /nfs/dbraw/zinc/92/10/73/573921073.db2.gz QBXVELHNVWFIRX-VWYCJHECSA-N 1 3 182.311 1.597 10 0 ADAEHO CCC[C@H]1CC[C@@H](CN)[C@@H]([NH3+])C1 224326283 573920246 /nfs/dbraw/zinc/92/02/46/573920246.db2.gz COWSOIJRXBCLHU-GUBZILKMSA-N 1 3 170.300 1.489 10 0 ADAEHO CC(C)[C@@H]1C[C@H](N)C[C@@H]2CCC[N@H+]21 238186995 573921080 /nfs/dbraw/zinc/92/10/80/573921080.db2.gz QBXVELHNVWFIRX-VWYCJHECSA-N 1 3 182.311 1.597 10 0 ADAEHO CN(CC[C@H]1CCC[NH2+]1)CC1CC1 42172213 573920272 /nfs/dbraw/zinc/92/02/72/573920272.db2.gz HVZZNDQCEIMCLL-LLVKDONJSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@@H](C)N(C)CC[C@@H]1CCC[NH2+]1 42172013 573920566 /nfs/dbraw/zinc/92/05/66/573920566.db2.gz CSEZQZLDYWEHPR-MNOVXSKESA-N 1 3 184.327 1.859 10 0 ADAEHO CC(C)[C@H](C[NH3+])[C@@H](N)c1cc[nH]c1 259581795 573920588 /nfs/dbraw/zinc/92/05/88/573920588.db2.gz WDDXXZSPRVVTNB-UWVGGRQHSA-N 1 3 181.283 1.245 10 0 ADAEHO CCCN(CC)CC[C@H]1CCC[NH2+]1 42171995 573920841 /nfs/dbraw/zinc/92/08/41/573920841.db2.gz NTNRDVKDYAJGQA-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@@H](C[NH2+]C)[C@H](N)CC(C)C 259581782 573921052 /nfs/dbraw/zinc/92/10/52/573921052.db2.gz WCWIVQFQBWWKKI-VHSXEESVSA-N 1 3 172.316 1.605 10 0 ADAEHO CNCC[NH2+][C@H]1C[C@@H]1c1ccccc1 44675843 573922034 /nfs/dbraw/zinc/92/20/34/573922034.db2.gz AUOPNXJRHSOGJL-NEPJUHHUSA-N 1 3 190.290 1.352 10 0 ADAEHO CC(C)[C@H](C[NH3+])[C@H](N)c1cc[nH]c1 259581796 573922269 /nfs/dbraw/zinc/92/22/69/573922269.db2.gz WDDXXZSPRVVTNB-VHSXEESVSA-N 1 3 181.283 1.245 10 0 ADAEHO CC[C@@H](C)NCC[C@H]1CCC[NH2+]1 42172277 573923585 /nfs/dbraw/zinc/92/35/85/573923585.db2.gz GDGBMYURXFQGLY-NXEZZACHSA-N 1 3 170.300 1.517 10 0 ADAEHO [NH3+]CCCN[C@@H]1C[C@@H]1c1ccccc1 44675806 573924205 /nfs/dbraw/zinc/92/42/05/573924205.db2.gz PQTROZRTUJHCTL-VXGBXAGGSA-N 1 3 190.290 1.481 10 0 ADAEHO NCCC[NH2+][C@@H]1C[C@@H]1c1ccccc1 44675806 573924207 /nfs/dbraw/zinc/92/42/07/573924207.db2.gz PQTROZRTUJHCTL-VXGBXAGGSA-N 1 3 190.290 1.481 10 0 ADAEHO CC(C)CNCC[C@H]1CCC[NH2+]1 42172292 573924235 /nfs/dbraw/zinc/92/42/35/573924235.db2.gz IUCTUAPPJWOVLE-SNVBAGLBSA-N 1 3 170.300 1.374 10 0 ADAEHO C[C@]1(C[C@H]2CCCCN2)CCC[NH2+]1 258182735 573930634 /nfs/dbraw/zinc/93/06/34/573930634.db2.gz MCYKZPRHNDDMQK-GHMZBOCLSA-N 1 3 182.311 1.661 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1(C)C 238199210 573930028 /nfs/dbraw/zinc/93/00/28/573930028.db2.gz NYKCCFKGSUCJPT-QWRGUYRKSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCCN[C@@H]2C1(C)C 238199210 573930032 /nfs/dbraw/zinc/93/00/32/573930032.db2.gz NYKCCFKGSUCJPT-QWRGUYRKSA-N 1 3 196.338 1.857 10 0 ADAEHO CC(C)[C@@H](C)C[NH+]1CCC(N)CC1 81065385 573930383 /nfs/dbraw/zinc/93/03/83/573930383.db2.gz HQCQLTSCTQKSJR-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)[C@@H](C)CN1CCC([NH3+])CC1 81065385 573930387 /nfs/dbraw/zinc/93/03/87/573930387.db2.gz HQCQLTSCTQKSJR-JTQLQIEISA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCCCN1 81038767 573930394 /nfs/dbraw/zinc/93/03/94/573930394.db2.gz NYUFJTREPQYMGZ-OUAUKWLOSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 81065364 573930403 /nfs/dbraw/zinc/93/04/03/573930403.db2.gz SHJCCAYQPZQPHZ-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO CC(C)[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 81065364 573930405 /nfs/dbraw/zinc/93/04/05/573930405.db2.gz SHJCCAYQPZQPHZ-WOPDTQHZSA-N 1 3 198.354 1.948 10 0 ADAEHO C1CC[C@]2(CNC3CC3)C[NH2+]C[C@H]2C1 715379170 573930468 /nfs/dbraw/zinc/93/04/68/573930468.db2.gz NUZHMYDNJARXCZ-ZYHUDNBSSA-N 1 3 194.322 1.518 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1(C)C 238199253 573930538 /nfs/dbraw/zinc/93/05/38/573930538.db2.gz KUSSCWBRHIJYFB-QWRGUYRKSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CCNC[C@@H]2C1(C)C 238199253 573930543 /nfs/dbraw/zinc/93/05/43/573930543.db2.gz KUSSCWBRHIJYFB-QWRGUYRKSA-N 1 3 196.338 1.715 10 0 ADAEHO CC(C)C[N@@H+]1CCCNCC[C@@H]1C 259586622 573932243 /nfs/dbraw/zinc/93/22/43/573932243.db2.gz ZRWKLISJDWXHOR-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)C[N@H+]1CCCNCC[C@@H]1C 259586622 573932248 /nfs/dbraw/zinc/93/22/48/573932248.db2.gz ZRWKLISJDWXHOR-NSHDSACASA-N 1 3 184.327 1.716 10 0 ADAEHO C[NH2+]CCNCC1(C2CC2)CCC1 393598589 573933033 /nfs/dbraw/zinc/93/30/33/573933033.db2.gz MFKFJDKBCLOUIC-UHFFFAOYSA-N 1 3 182.311 1.376 10 0 ADAEHO CC(C)[C@@H](C)C[NH+]1CCCNCCC1 81111272 573933073 /nfs/dbraw/zinc/93/30/73/573933073.db2.gz VQYYGXPNNHTPJQ-LBPRGKRZSA-N 1 3 198.354 1.964 10 0 ADAEHO CN[C@H]1CC[N@H+](C(C)C)C1(C)C 259190537 573933139 /nfs/dbraw/zinc/93/31/39/573933139.db2.gz BOQAYLICMMUWQE-VIFPVBQESA-N 1 3 170.300 1.467 10 0 ADAEHO CN[C@H]1CC[N@@H+](C(C)C)C1(C)C 259190537 573933143 /nfs/dbraw/zinc/93/31/43/573933143.db2.gz BOQAYLICMMUWQE-VIFPVBQESA-N 1 3 170.300 1.467 10 0 ADAEHO CC[NH2+]CCCN1CC[C@H](CC)C1 127734850 573933345 /nfs/dbraw/zinc/93/33/45/573933345.db2.gz XPYOHVXPMHAVQD-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCNCCC[N@@H+]1CC[C@H](CC)C1 127734850 573933350 /nfs/dbraw/zinc/93/33/50/573933350.db2.gz XPYOHVXPMHAVQD-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CCNCCC[N@H+]1CC[C@H](CC)C1 127734850 573933355 /nfs/dbraw/zinc/93/33/55/573933355.db2.gz XPYOHVXPMHAVQD-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO CC[C@@H](CC(C)(C)[NH3+])N(C)C 259243490 573933406 /nfs/dbraw/zinc/93/34/06/573933406.db2.gz BFULIQOYPMBROW-QMMMGPOBSA-N 1 3 158.289 1.454 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)C(C)C 127766194 573936532 /nfs/dbraw/zinc/93/65/32/573936532.db2.gz PFBWZWAIXJNSJV-SECBINFHSA-N 1 3 158.289 1.454 10 0 ADAEHO C[C@H]1CC([NH+]2CC(CN)C2)C[C@H](C)C1 84987940 573936547 /nfs/dbraw/zinc/93/65/47/573936547.db2.gz IPQMQJRSJZXKGN-NXEZZACHSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1CC(N2CC(C[NH3+])C2)C[C@H](C)C1 84987940 573936553 /nfs/dbraw/zinc/93/65/53/573936553.db2.gz IPQMQJRSJZXKGN-NXEZZACHSA-N 1 3 196.338 1.702 10 0 ADAEHO CC(C)C[N@@H+]1CCCNCC(C)(C)C1 259585182 573936642 /nfs/dbraw/zinc/93/66/42/573936642.db2.gz ZPYPFBPZGJCROJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)C[N@H+]1CCCNCC(C)(C)C1 259585182 573936646 /nfs/dbraw/zinc/93/66/46/573936646.db2.gz ZPYPFBPZGJCROJ-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)[C@H](C)C[NH+]1CCCNCCC1 81111274 573936700 /nfs/dbraw/zinc/93/67/00/573936700.db2.gz VQYYGXPNNHTPJQ-GFCCVEGCSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[C@H]1CCCC[C@H]1[NH+]1CC(CN)C1 84987841 573936839 /nfs/dbraw/zinc/93/68/39/573936839.db2.gz OTUWJKSCUXURAE-NWDGAFQWSA-N 1 3 196.338 1.846 10 0 ADAEHO CN(CC1([NH3+])CC1)c1ccncc1 259021918 573936875 /nfs/dbraw/zinc/93/68/75/573936875.db2.gz HDTWWYZRLKIMPE-UHFFFAOYSA-N 1 3 177.251 1.009 10 0 ADAEHO CC[C@H](C)[NH2+][C@H]1CC[C@H](N(C)C)C1 131768662 573936901 /nfs/dbraw/zinc/93/69/01/573936901.db2.gz DXSRCIMGYWPNNE-DCAQKATOSA-N 1 3 184.327 1.857 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)C(C)C 127765955 573936977 /nfs/dbraw/zinc/93/69/77/573936977.db2.gz PFBWZWAIXJNSJV-VIFPVBQESA-N 1 3 158.289 1.454 10 0 ADAEHO CC1CCC(N2CC(C[NH3+])C2)CC1 84987950 573937045 /nfs/dbraw/zinc/93/70/45/573937045.db2.gz NEMWZAXVKSDBSI-UHFFFAOYSA-N 1 3 182.311 1.456 10 0 ADAEHO CN(C)CC[C@H]([NH3+])Cc1ccco1 131785143 573937128 /nfs/dbraw/zinc/93/71/28/573937128.db2.gz KECNICXZDUAZRR-VIFPVBQESA-N 1 3 182.267 1.101 10 0 ADAEHO C[NH+](C)CC[C@H](N)Cc1ccco1 131785143 573937133 /nfs/dbraw/zinc/93/71/33/573937133.db2.gz KECNICXZDUAZRR-VIFPVBQESA-N 1 3 182.267 1.101 10 0 ADAEHO CC[C@@H]1CCCC[C@H]1[NH+]1CC(CN)C1 84987839 573937160 /nfs/dbraw/zinc/93/71/60/573937160.db2.gz OTUWJKSCUXURAE-VXGBXAGGSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1CCC[C@H](N2CC(C[NH3+])C2)C1 84987771 573937232 /nfs/dbraw/zinc/93/72/32/573937232.db2.gz KTXUKHRFOLCWGL-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@H]1CCC[C@H]([NH+]2CC(CN)C2)C1 84987771 573937236 /nfs/dbraw/zinc/93/72/36/573937236.db2.gz KTXUKHRFOLCWGL-JQWIXIFHSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CCC[C@H](N2CC(C[NH3+])C2)C1 84987770 573938257 /nfs/dbraw/zinc/93/82/57/573938257.db2.gz KTXUKHRFOLCWGL-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CC[C@@H]1CCC[C@H]([NH+]2CC(CN)C2)C1 84987770 573938261 /nfs/dbraw/zinc/93/82/61/573938261.db2.gz KTXUKHRFOLCWGL-PWSUYJOCSA-N 1 3 196.338 1.846 10 0 ADAEHO CN[C@H](CC[NH+](C)C)Cc1ccco1 131786213 573938280 /nfs/dbraw/zinc/93/82/80/573938280.db2.gz ONKSKGBIGMYOAE-SNVBAGLBSA-N 1 3 196.294 1.362 10 0 ADAEHO C[NH2+]CCCCNCc1cc(C)no1 45011624 573938291 /nfs/dbraw/zinc/93/82/91/573938291.db2.gz NBTNWUOCTQFEHW-UHFFFAOYSA-N 1 3 197.282 1.072 10 0 ADAEHO CN(C)CC[C@H]([NH3+])Cc1ccoc1 131784743 573938403 /nfs/dbraw/zinc/93/84/03/573938403.db2.gz NGWSEKOBKJVQFN-JTQLQIEISA-N 1 3 182.267 1.101 10 0 ADAEHO C[NH+](C)CC[C@H](N)Cc1ccoc1 131784743 573938406 /nfs/dbraw/zinc/93/84/06/573938406.db2.gz NGWSEKOBKJVQFN-JTQLQIEISA-N 1 3 182.267 1.101 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH+]2CC(CN)C2)C1 84987768 573938409 /nfs/dbraw/zinc/93/84/09/573938409.db2.gz SVFGZBLKCIBILK-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@H]1CCC[C@@H](N2CC(C[NH3+])C2)C1 84987768 573938412 /nfs/dbraw/zinc/93/84/12/573938412.db2.gz SVFGZBLKCIBILK-GXSJLCMTSA-N 1 3 182.311 1.456 10 0 ADAEHO CCCC[N@@H+]1CCC[C@@H]1CCN 259245700 573938476 /nfs/dbraw/zinc/93/84/76/573938476.db2.gz LZOONEVSCUKCRD-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[N@H+]1CCC[C@@H]1CCN 259245700 573938479 /nfs/dbraw/zinc/93/84/79/573938479.db2.gz LZOONEVSCUKCRD-SNVBAGLBSA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[N@@H+]1CCC[C@H]1CCN 259245697 573938535 /nfs/dbraw/zinc/93/85/35/573938535.db2.gz LZOONEVSCUKCRD-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO CCCC[N@H+]1CCC[C@H]1CCN 259245697 573938538 /nfs/dbraw/zinc/93/85/38/573938538.db2.gz LZOONEVSCUKCRD-JTQLQIEISA-N 1 3 170.300 1.600 10 0 ADAEHO [NH3+]CC1CN(CC2CCCC2)C1 84987623 573938572 /nfs/dbraw/zinc/93/85/72/573938572.db2.gz YLHAVIMRXOVMRW-UHFFFAOYSA-N 1 3 168.284 1.067 10 0 ADAEHO CC(C)(CCCCN1CCC1)C(N)=[NH2+] 308468916 573938595 /nfs/dbraw/zinc/93/85/95/573938595.db2.gz AWGQKRDZOONPNY-UHFFFAOYSA-N 1 3 197.326 1.825 10 0 ADAEHO C[C@@H]([NH3+])CCC(=O)[C@@H]1CCCN(C)C1 259245042 573938726 /nfs/dbraw/zinc/93/87/26/573938726.db2.gz RPQPVSCERWATOY-NXEZZACHSA-N 1 3 198.310 1.025 10 0 ADAEHO CCC[N@H+](CCCNC)C(C)C 42409482 573938746 /nfs/dbraw/zinc/93/87/46/573938746.db2.gz DOWXCTWJORXTES-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[N@@H+](CCCNC)C(C)C 42409482 573938753 /nfs/dbraw/zinc/93/87/53/573938753.db2.gz DOWXCTWJORXTES-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC[NH2+]CCCN1CC[C@H](C)C1 42409719 573938824 /nfs/dbraw/zinc/93/88/24/573938824.db2.gz SFIZJKWUNDRBLT-NSHDSACASA-N 1 3 184.327 1.718 10 0 ADAEHO [NH3+]CC1CN(C2CCCCC2)C1 84987647 573938873 /nfs/dbraw/zinc/93/88/73/573938873.db2.gz KFGMJHYSYHFMAJ-UHFFFAOYSA-N 1 3 168.284 1.210 10 0 ADAEHO CCC[NH2+]CCCN1CCC[C@@H]1C 42409131 573938966 /nfs/dbraw/zinc/93/89/66/573938966.db2.gz GXSLJGURAASUTK-NSHDSACASA-N 1 3 184.327 1.860 10 0 ADAEHO CNCCC[N@H+](C)[C@@H](C)C1CC1 42409598 573940327 /nfs/dbraw/zinc/94/03/27/573940327.db2.gz WVSDDPXUNZFTRT-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO CNCCC[N@@H+](C)[C@@H](C)C1CC1 42409598 573940328 /nfs/dbraw/zinc/94/03/28/573940328.db2.gz WVSDDPXUNZFTRT-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO C[NH2+]CCCN(C)[C@@H](C)C1CC1 42409598 573940334 /nfs/dbraw/zinc/94/03/34/573940334.db2.gz WVSDDPXUNZFTRT-VIFPVBQESA-N 1 3 170.300 1.326 10 0 ADAEHO C[C@@H]1CCC[C@@H]([NH+]2CC(CN)C2)C1 84987766 573939835 /nfs/dbraw/zinc/93/98/35/573939835.db2.gz SVFGZBLKCIBILK-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO C[C@@H]1CCC[C@@H](N2CC(C[NH3+])C2)C1 84987766 573939838 /nfs/dbraw/zinc/93/98/38/573939838.db2.gz SVFGZBLKCIBILK-MWLCHTKSSA-N 1 3 182.311 1.456 10 0 ADAEHO CN1CCCC[C@@H]1CC1([NH3+])CCC1 258184682 573939852 /nfs/dbraw/zinc/93/98/52/573939852.db2.gz YFIRFZLAVCJVAJ-SNVBAGLBSA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@H]1C[C@H](N2CC(C[NH3+])C2)CC[C@H]1C 84987666 573940057 /nfs/dbraw/zinc/94/00/57/573940057.db2.gz QPHIDJYQIHNSBN-JFGNBEQYSA-N 1 3 196.338 1.702 10 0 ADAEHO C[C@H]1C[C@H]([NH+]2CC(CN)C2)CC[C@H]1C 84987666 573940062 /nfs/dbraw/zinc/94/00/62/573940062.db2.gz QPHIDJYQIHNSBN-JFGNBEQYSA-N 1 3 196.338 1.702 10 0 ADAEHO CC[C@@H]1CCCC[C@@H]1[NH+]1CC(CN)C1 84987835 573940085 /nfs/dbraw/zinc/94/00/85/573940085.db2.gz OTUWJKSCUXURAE-NEPJUHHUSA-N 1 3 196.338 1.846 10 0 ADAEHO CCC(CC)[N@H+](C)CCCNC 42409620 573940147 /nfs/dbraw/zinc/94/01/47/573940147.db2.gz HZSXTSJGTQJYAZ-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO CCC(CC)[N@@H+](C)CCCNC 42409620 573940151 /nfs/dbraw/zinc/94/01/51/573940151.db2.gz HZSXTSJGTQJYAZ-UHFFFAOYSA-N 1 3 172.316 1.716 10 0 ADAEHO Cc1cccc([C@@H](N)C[C@@H](C)[NH3+])c1 259244224 573940233 /nfs/dbraw/zinc/94/02/33/573940233.db2.gz HXFGNINIPSKQDU-KOLCDFICSA-N 1 3 178.279 1.732 10 0 ADAEHO C[C@H]1CCN(CCC[NH2+]C2CC2)C1 42372060 573942099 /nfs/dbraw/zinc/94/20/99/573942099.db2.gz PRDMFWRYCLDPQW-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@H+](CCCNC2CC2)C1 42372060 573942103 /nfs/dbraw/zinc/94/21/03/573942103.db2.gz PRDMFWRYCLDPQW-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO C[C@H]1CC[N@@H+](CCCNC2CC2)C1 42372060 573942109 /nfs/dbraw/zinc/94/21/09/573942109.db2.gz PRDMFWRYCLDPQW-JTQLQIEISA-N 1 3 182.311 1.470 10 0 ADAEHO CCC[NH2+]CCCN(C)CCC 42409516 573942199 /nfs/dbraw/zinc/94/21/99/573942199.db2.gz HSWRZUCJZHYVOJ-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO CCC[NH2+]CCCN(C)CC(C)C 42409520 573942258 /nfs/dbraw/zinc/94/22/58/573942258.db2.gz YWZHJELEYIDUGW-UHFFFAOYSA-N 1 3 186.343 1.964 10 0 ADAEHO CC[C@@H]([NH3+])CCN(CC)C1CC1 127776162 573942259 /nfs/dbraw/zinc/94/22/59/573942259.db2.gz SRICMSADFDCSJQ-SECBINFHSA-N 1 3 170.300 1.598 10 0 ADAEHO CNCCC[NH2+]C1(C)CCCCC1 45047245 573942303 /nfs/dbraw/zinc/94/23/03/573942303.db2.gz DZKXNUDNIQKRSK-UHFFFAOYSA-N 1 3 184.327 1.908 10 0 ADAEHO CC(C)[NH2+]CCCN1CC[C@@H](C)C1 42372061 573942505 /nfs/dbraw/zinc/94/25/05/573942505.db2.gz NZNMEUFKKYMZLP-LLVKDONJSA-N 1 3 184.327 1.716 10 0 ADAEHO CCC[NH2+]CCCN1CCC[C@H]1C 42409132 573942519 /nfs/dbraw/zinc/94/25/19/573942519.db2.gz GXSLJGURAASUTK-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO CC[C@H](N)CC[N@H+](CC)C(C)C 127776868 573942634 /nfs/dbraw/zinc/94/26/34/573942634.db2.gz XMIIXYOYWQDHEG-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H](N)CC[N@@H+](CC)C(C)C 127776868 573942639 /nfs/dbraw/zinc/94/26/39/573942639.db2.gz XMIIXYOYWQDHEG-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@H]([NH3+])CCN(CC)C(C)C 127776868 573942643 /nfs/dbraw/zinc/94/26/43/573942643.db2.gz XMIIXYOYWQDHEG-JTQLQIEISA-N 1 3 172.316 1.844 10 0 ADAEHO CCCN(CC[C@@H]([NH3+])CC)C1CC1 127779515 573942683 /nfs/dbraw/zinc/94/26/83/573942683.db2.gz STQQLOUGOXOJDC-JTQLQIEISA-N 1 3 184.327 1.988 10 0 ADAEHO CCCCN(C)CCC[NH2+]CC 42409363 573942728 /nfs/dbraw/zinc/94/27/28/573942728.db2.gz VGODTROXHFIDFS-UHFFFAOYSA-N 1 3 172.316 1.718 10 0 ADAEHO C[C@H](CC(N)=[NH2+])N(C)CC(C)(C)C 45074253 573943511 /nfs/dbraw/zinc/94/35/11/573943511.db2.gz UKIZQJIAFDPHLO-MRVPVSSYSA-N 1 3 185.315 1.679 10 0 ADAEHO C[C@H](CCN)[N@H+](C)CC(C)(C)C 45068375 573943551 /nfs/dbraw/zinc/94/35/51/573943551.db2.gz JDKHWKXINOIWQT-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H](CCN)[N@@H+](C)CC(C)(C)C 45068375 573943556 /nfs/dbraw/zinc/94/35/56/573943556.db2.gz JDKHWKXINOIWQT-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO C[C@H](CC[NH3+])N(C)CC(C)(C)C 45068375 573943563 /nfs/dbraw/zinc/94/35/63/573943563.db2.gz JDKHWKXINOIWQT-SECBINFHSA-N 1 3 172.316 1.702 10 0 ADAEHO CCC[N@H+](CC)CC[C@H](N)CC 127778379 573942855 /nfs/dbraw/zinc/94/28/55/573942855.db2.gz WQIWKOPWOIRMPU-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCC[N@@H+](CC)CC[C@H](N)CC 127778379 573942858 /nfs/dbraw/zinc/94/28/58/573942858.db2.gz WQIWKOPWOIRMPU-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CCCN(CC)CC[C@H]([NH3+])CC 127778379 573942861 /nfs/dbraw/zinc/94/28/61/573942861.db2.gz WQIWKOPWOIRMPU-SNVBAGLBSA-N 1 3 172.316 1.846 10 0 ADAEHO CC[C@@H](N)CC[N@H+](C)[C@H](C)CC 127780709 573943613 /nfs/dbraw/zinc/94/36/13/573943613.db2.gz VWVULTKQYGGGGH-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCN(C)CC[C@H]([NH3+])CC 127779733 573942981 /nfs/dbraw/zinc/94/29/81/573942981.db2.gz CZLWIPYEUKTILN-SECBINFHSA-N 1 3 158.289 1.456 10 0 ADAEHO CC[C@@H](N)CC[N@@H+](C)[C@H](C)CC 127780709 573943617 /nfs/dbraw/zinc/94/36/17/573943617.db2.gz VWVULTKQYGGGGH-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)[C@H](C)CC 127780709 573943620 /nfs/dbraw/zinc/94/36/20/573943620.db2.gz VWVULTKQYGGGGH-NXEZZACHSA-N 1 3 172.316 1.844 10 0 ADAEHO CCCN(CC[C@H]([NH3+])CC)C1CC1 127779275 573943218 /nfs/dbraw/zinc/94/32/18/573943218.db2.gz STQQLOUGOXOJDC-SNVBAGLBSA-N 1 3 184.327 1.988 10 0 ADAEHO C[NH2+]CCn1ccc2cnccc21 258186359 573943239 /nfs/dbraw/zinc/94/32/39/573943239.db2.gz TWBSSLLPCJEEGI-UHFFFAOYSA-N 1 3 175.235 1.256 10 0 ADAEHO CC[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 42409267 573943344 /nfs/dbraw/zinc/94/33/44/573943344.db2.gz VZLZXBRVWBAQQC-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 42409267 573943350 /nfs/dbraw/zinc/94/33/50/573943350.db2.gz VZLZXBRVWBAQQC-RYUDHWBXSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[NH2+]CCCN(C)CC1CC1 42409705 573943368 /nfs/dbraw/zinc/94/33/68/573943368.db2.gz IEZTULSGWQLMTR-UHFFFAOYSA-N 1 3 184.327 1.718 10 0 ADAEHO C1=C(C[NH+]2CCCC2)CNCC1 257907242 573943374 /nfs/dbraw/zinc/94/33/74/573943374.db2.gz ILMALCPAZJYNOR-UHFFFAOYSA-N 1 3 166.268 1.002 10 0 ADAEHO CC[C@H](N)CC[N@H+](C)CC(C)C 127780267 573945176 /nfs/dbraw/zinc/94/51/76/573945176.db2.gz GOOABZXSHAFBKD-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H](N)CC[N@@H+](C)CC(C)C 127780267 573945182 /nfs/dbraw/zinc/94/51/82/573945182.db2.gz GOOABZXSHAFBKD-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)CC(C)C 127780267 573945187 /nfs/dbraw/zinc/94/51/87/573945187.db2.gz GOOABZXSHAFBKD-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CN1CCC([C@@](C)(F)CC[NH3+])CC1 257907562 573944608 /nfs/dbraw/zinc/94/46/08/573944608.db2.gz ZPUPVWSQDGGHAS-JTQLQIEISA-N 1 3 188.290 1.405 10 0 ADAEHO C[C@H](CN)C[N@H+](C)CC(C)(C)C 45068628 573944837 /nfs/dbraw/zinc/94/48/37/573944837.db2.gz WOMNQXGBOGGGEA-SECBINFHSA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@H](CN)C[N@@H+](C)CC(C)(C)C 45068628 573944843 /nfs/dbraw/zinc/94/48/43/573944843.db2.gz WOMNQXGBOGGGEA-SECBINFHSA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@H](C[NH3+])CN(C)CC(C)(C)C 45068628 573944846 /nfs/dbraw/zinc/94/48/46/573944846.db2.gz WOMNQXGBOGGGEA-SECBINFHSA-N 1 3 172.316 1.559 10 0 ADAEHO C[C@@H](CCN)[NH2+]CC(C1CC1)C1CC1 308469656 573945096 /nfs/dbraw/zinc/94/50/96/573945096.db2.gz ITTNIRGTLAASGM-VIFPVBQESA-N 1 3 196.338 1.750 10 0 ADAEHO CC(=O)CCCN1CC[C@@](C)(C[NH3+])C1 308470265 573945418 /nfs/dbraw/zinc/94/54/18/573945418.db2.gz ILAUYMJSIYKTMH-NSHDSACASA-N 1 3 198.310 1.026 10 0 ADAEHO CC(=O)CCC[N@@H+]1CC[C@@](C)(CN)C1 308470265 573945421 /nfs/dbraw/zinc/94/54/21/573945421.db2.gz ILAUYMJSIYKTMH-NSHDSACASA-N 1 3 198.310 1.026 10 0 ADAEHO CC(=O)CCC[N@H+]1CC[C@@](C)(CN)C1 308470265 573945427 /nfs/dbraw/zinc/94/54/27/573945427.db2.gz ILAUYMJSIYKTMH-NSHDSACASA-N 1 3 198.310 1.026 10 0 ADAEHO CC[N@@H+]1CCCCN[C@@H](C)C1 259246181 573945537 /nfs/dbraw/zinc/94/55/37/573945537.db2.gz FBVFISQCYZSLFU-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CC[N@H+]1CCCCN[C@@H](C)C1 259246181 573945542 /nfs/dbraw/zinc/94/55/42/573945542.db2.gz FBVFISQCYZSLFU-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CCN1CCCC[NH2+][C@@H](C)C1 259246181 573945547 /nfs/dbraw/zinc/94/55/47/573945547.db2.gz FBVFISQCYZSLFU-VIFPVBQESA-N 1 3 156.273 1.080 10 0 ADAEHO CN1CCC([C@](C)(F)CC[NH3+])CC1 257907566 573945587 /nfs/dbraw/zinc/94/55/87/573945587.db2.gz ZPUPVWSQDGGHAS-SNVBAGLBSA-N 1 3 188.290 1.405 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]CCCN1CCCC1 45118942 573953517 /nfs/dbraw/zinc/95/35/17/573953517.db2.gz BNZLCOMRJJANPE-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO CC1(C)C[C@H]1NCCC[NH+]1CCCC1 45118942 573953521 /nfs/dbraw/zinc/95/35/21/573953521.db2.gz BNZLCOMRJJANPE-LLVKDONJSA-N 1 3 196.338 1.860 10 0 ADAEHO C[C@H]([NH3+])C[C@H](N(C)C)C(C)(C)C 259249196 573953601 /nfs/dbraw/zinc/95/36/01/573953601.db2.gz BJHZZIMPLCKBCV-IUCAKERBSA-N 1 3 172.316 1.700 10 0 ADAEHO C[C@H](N)C[C@H]([NH+](C)C)C(C)(C)C 259249196 573953605 /nfs/dbraw/zinc/95/36/05/573953605.db2.gz BJHZZIMPLCKBCV-IUCAKERBSA-N 1 3 172.316 1.700 10 0 ADAEHO NCC1(C[NH2+]CC2CCC2)CCC1 259027443 573953613 /nfs/dbraw/zinc/95/36/13/573953613.db2.gz ZCJHBANGAKOHCM-UHFFFAOYSA-N 1 3 182.311 1.505 10 0 ADAEHO CCC1CCN(CC[C@H](C)[NH3+])CC1 42446620 573953642 /nfs/dbraw/zinc/95/36/42/573953642.db2.gz XJJAYTURZKCHIZ-JTQLQIEISA-N 1 3 184.327 1.846 10 0 ADAEHO CCN(C[C@H](C)C[NH3+])c1ccncc1 42442135 573953765 /nfs/dbraw/zinc/95/37/65/573953765.db2.gz BULMLFDBAUIDIU-SNVBAGLBSA-N 1 3 193.294 1.503 10 0 ADAEHO CCN(C[C@@H](C)C[NH3+])c1ccncc1 42442133 573953960 /nfs/dbraw/zinc/95/39/60/573953960.db2.gz BULMLFDBAUIDIU-JTQLQIEISA-N 1 3 193.294 1.503 10 0 ADAEHO CC[N@H+](CCC(C)C)C[C@@H](C)CN 42442915 573953986 /nfs/dbraw/zinc/95/39/86/573953986.db2.gz OHBFIMUXYCTJIK-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO CC[N@@H+](CCC(C)C)C[C@@H](C)CN 42442915 573953987 /nfs/dbraw/zinc/95/39/87/573953987.db2.gz OHBFIMUXYCTJIK-NSHDSACASA-N 1 3 186.343 1.949 10 0 ADAEHO C[C@H](CNC1CC1)C[N@H+](C)C1CCC1 127708951 573954529 /nfs/dbraw/zinc/95/45/29/573954529.db2.gz JCSGKOGOBGISMW-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](CNC1CC1)C[N@@H+](C)C1CCC1 127708951 573954533 /nfs/dbraw/zinc/95/45/33/573954533.db2.gz JCSGKOGOBGISMW-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H](C[NH2+]C1CC1)CN(C)C1CCC1 127708951 573954536 /nfs/dbraw/zinc/95/45/36/573954536.db2.gz JCSGKOGOBGISMW-SNVBAGLBSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC1CC[NH+]([C@H](C)CCN)CC1 42446294 573954537 /nfs/dbraw/zinc/95/45/37/573954537.db2.gz FZHFAVFZRDAOEP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC1CCN([C@H](C)CC[NH3+])CC1 42446294 573954543 /nfs/dbraw/zinc/95/45/43/573954543.db2.gz FZHFAVFZRDAOEP-SNVBAGLBSA-N 1 3 184.327 1.846 10 0 ADAEHO CC1(C)C[C@@H]1NC[C@@](C)([NH3+])C1CC1 45137665 573954562 /nfs/dbraw/zinc/95/45/62/573954562.db2.gz IRPLGPGPKICNHJ-GXSJLCMTSA-N 1 3 182.311 1.502 10 0 ADAEHO CC[C@H](C)[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137689 573954633 /nfs/dbraw/zinc/95/46/33/573954633.db2.gz OSNOBINQEBQFSR-LPEHRKFASA-N 1 3 184.327 1.748 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]CCNCC1CC1 45137961 573954745 /nfs/dbraw/zinc/95/47/45/573954745.db2.gz LPUWFLXBKJWQCT-SNVBAGLBSA-N 1 3 182.311 1.374 10 0 ADAEHO CC1(C)C[C@@H]1[NH2+]CCNCC1CC1 45137959 573954872 /nfs/dbraw/zinc/95/48/72/573954872.db2.gz LPUWFLXBKJWQCT-JTQLQIEISA-N 1 3 182.311 1.374 10 0 ADAEHO C[NH2+]CCCCN(C)Cc1ccoc1 42448941 573954920 /nfs/dbraw/zinc/95/49/20/573954920.db2.gz KEKWIUWHUQTDBG-UHFFFAOYSA-N 1 3 196.294 1.711 10 0 ADAEHO CC1(C)C[C@H]1NC[C@](C)([NH3+])C1CC1 45137663 573954975 /nfs/dbraw/zinc/95/49/75/573954975.db2.gz IRPLGPGPKICNHJ-KOLCDFICSA-N 1 3 182.311 1.502 10 0 ADAEHO CC1(C)C[C@H]1NCC[C@@H]1CCC[NH2+]1 45137806 573955065 /nfs/dbraw/zinc/95/50/65/573955065.db2.gz KOKUSBCBCUMWJJ-VHSXEESVSA-N 1 3 182.311 1.517 10 0 ADAEHO CCCC[N@@H+]1C[C@H](CN)CC[C@@H]1C 42427329 573955147 /nfs/dbraw/zinc/95/51/47/573955147.db2.gz NTDRMBKTRZBEPI-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCCC[N@H+]1C[C@H](CN)CC[C@@H]1C 42427329 573955152 /nfs/dbraw/zinc/95/51/52/573955152.db2.gz NTDRMBKTRZBEPI-QWRGUYRKSA-N 1 3 184.327 1.846 10 0 ADAEHO CCC1CCN(CCC(N)=[NH2+])CC1 42446875 573955226 /nfs/dbraw/zinc/95/52/26/573955226.db2.gz KXGSPQNUNSDBFQ-UHFFFAOYSA-N 1 3 183.299 1.434 10 0 ADAEHO C[C@@H](CNC1CC1)C[N@H+](C)C1CCC1 127708704 573955234 /nfs/dbraw/zinc/95/52/34/573955234.db2.gz JCSGKOGOBGISMW-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](CNC1CC1)C[N@@H+](C)C1CCC1 127708704 573955239 /nfs/dbraw/zinc/95/52/39/573955239.db2.gz JCSGKOGOBGISMW-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@H](C[NH2+]C1CC1)CN(C)C1CCC1 127708704 573955244 /nfs/dbraw/zinc/95/52/44/573955244.db2.gz JCSGKOGOBGISMW-JTQLQIEISA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CC1(C)C 45135327 573957211 /nfs/dbraw/zinc/95/72/11/573957211.db2.gz YQWXYLFXBYRHQY-IVZWLZJFSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@H]1C[C@H](N)CC[N@H+]1[C@@H]1CC1(C)C 45135327 573957213 /nfs/dbraw/zinc/95/72/13/573957213.db2.gz YQWXYLFXBYRHQY-IVZWLZJFSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H](C[NH3+])[C@]1(F)CCCN(C)C1 257911449 573957267 /nfs/dbraw/zinc/95/72/67/573957267.db2.gz QHZWVWLDNUINRT-IUCAKERBSA-N 1 3 174.263 1.015 10 0 ADAEHO CCCCCN(CC)CCC(N)=[NH2+] 42452707 573957307 /nfs/dbraw/zinc/95/73/07/573957307.db2.gz IHHLDOGXXLPMQM-UHFFFAOYSA-N 1 3 185.315 1.825 10 0 ADAEHO CC[C@@H](N)CC[NH2+]C1CCC1 127875548 573957318 /nfs/dbraw/zinc/95/73/18/573957318.db2.gz KEGHLJSNDYZADM-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@@H]([NH3+])CCNC1CCC1 127875548 573957325 /nfs/dbraw/zinc/95/73/25/573957325.db2.gz KEGHLJSNDYZADM-MRVPVSSYSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H](C)NCC[NH2+][C@@H]1CC1(C)C 45137965 573957392 /nfs/dbraw/zinc/95/73/92/573957392.db2.gz RTEWQVRNMMBHFZ-VHSXEESVSA-N 1 3 184.327 1.763 10 0 ADAEHO CC1(C)C[C@@H]1NCC[C@@H]1CCC[NH2+]1 45137804 573957429 /nfs/dbraw/zinc/95/74/29/573957429.db2.gz KOKUSBCBCUMWJJ-UWVGGRQHSA-N 1 3 182.311 1.517 10 0 ADAEHO CCCC[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137976 573957449 /nfs/dbraw/zinc/95/74/49/573957449.db2.gz DJJXNDAAUFQBRH-VHSXEESVSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@H]([NH3+])CCN[C@H]1CC1(C)C 127862059 573957468 /nfs/dbraw/zinc/95/74/68/573957468.db2.gz FPQCZHVAQIQZQU-BDAKNGLRSA-N 1 3 170.300 1.502 10 0 ADAEHO CC(C)[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137893 573957654 /nfs/dbraw/zinc/95/76/54/573957654.db2.gz MUULNSAZRJVNLS-DTWKUNHWSA-N 1 3 170.300 1.358 10 0 ADAEHO CC[C@H]([NH3+])CCN[C@@H]1CC1(C)C 127861355 573957687 /nfs/dbraw/zinc/95/76/87/573957687.db2.gz FPQCZHVAQIQZQU-DTWKUNHWSA-N 1 3 170.300 1.502 10 0 ADAEHO CC[C@@H](C)[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137682 573957844 /nfs/dbraw/zinc/95/78/44/573957844.db2.gz OSNOBINQEBQFSR-OPRDCNLKSA-N 1 3 184.327 1.748 10 0 ADAEHO CC[C@H](N)CC[NH2+]C1CCC1 127875321 573957914 /nfs/dbraw/zinc/95/79/14/573957914.db2.gz KEGHLJSNDYZADM-QMMMGPOBSA-N 1 3 156.273 1.256 10 0 ADAEHO CC[C@H]([NH3+])CCNC1CCC1 127875321 573957920 /nfs/dbraw/zinc/95/79/20/573957920.db2.gz KEGHLJSNDYZADM-QMMMGPOBSA-N 1 3 156.273 1.256 10 0 ADAEHO CN[C@@H](c1cccs1)[C@@H](C)C[NH3+] 259250001 573957976 /nfs/dbraw/zinc/95/79/76/573957976.db2.gz GJJRFBRXPPDCDB-IONNQARKSA-N 1 3 184.308 1.603 10 0 ADAEHO CC[C@H](N)CC[NH2+]C[C@H](C)CC 127878551 573959485 /nfs/dbraw/zinc/95/94/85/573959485.db2.gz NQVLSFRYRCZXGS-ZJUUUORDSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@@H]([NH3+])CCN[C@@H]1CC1(C)C 127861610 573959542 /nfs/dbraw/zinc/95/95/42/573959542.db2.gz FPQCZHVAQIQZQU-RKDXNWHRSA-N 1 3 170.300 1.502 10 0 ADAEHO C[C@H](C[NH3+])[C@@]1(F)CCCN(C)C1 257911450 573958598 /nfs/dbraw/zinc/95/85/98/573958598.db2.gz QHZWVWLDNUINRT-RKDXNWHRSA-N 1 3 174.263 1.015 10 0 ADAEHO CN[C@H](c1cccs1)[C@@H](C)C[NH3+] 259249998 573958600 /nfs/dbraw/zinc/95/86/00/573958600.db2.gz GJJRFBRXPPDCDB-CBAPKCEASA-N 1 3 184.308 1.603 10 0 ADAEHO CC[C@H](C)[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137684 573958635 /nfs/dbraw/zinc/95/86/35/573958635.db2.gz OSNOBINQEBQFSR-IVZWLZJFSA-N 1 3 184.327 1.748 10 0 ADAEHO C[C@H](C[NH3+])[C@]1(F)CCCN(C)C1 257911447 573958679 /nfs/dbraw/zinc/95/86/79/573958679.db2.gz QHZWVWLDNUINRT-BDAKNGLRSA-N 1 3 174.263 1.015 10 0 ADAEHO CC1(C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 45137808 573958712 /nfs/dbraw/zinc/95/87/12/573958712.db2.gz KOKUSBCBCUMWJJ-ZJUUUORDSA-N 1 3 182.311 1.517 10 0 ADAEHO CC(C)[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137890 573958722 /nfs/dbraw/zinc/95/87/22/573958722.db2.gz MUULNSAZRJVNLS-RKDXNWHRSA-N 1 3 170.300 1.358 10 0 ADAEHO CN(Cc1occc1C[NH3+])C1CCC1 127885152 573958756 /nfs/dbraw/zinc/95/87/56/573958756.db2.gz YIRBJWDHCZLYAH-UHFFFAOYSA-N 1 3 194.278 1.723 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[N@H+](CC)CCOC 42492865 573958785 /nfs/dbraw/zinc/95/87/85/573958785.db2.gz UIPACCLIGTVWJT-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC[C@@H](N)[C@@H](C)[N@@H+](CC)CCOC 42492865 573958789 /nfs/dbraw/zinc/95/87/89/573958789.db2.gz UIPACCLIGTVWJT-NXEZZACHSA-N 1 3 188.315 1.081 10 0 ADAEHO CC1(C)C[C@H]1[NH2+]CCCNC1CC1 45137679 573958814 /nfs/dbraw/zinc/95/88/14/573958814.db2.gz SPAZVTYLHURYHV-SNVBAGLBSA-N 1 3 182.311 1.517 10 0 ADAEHO CC1(C)C[C@H]1NCCC[NH2+]C1CC1 45137679 573958818 /nfs/dbraw/zinc/95/88/18/573958818.db2.gz SPAZVTYLHURYHV-SNVBAGLBSA-N 1 3 182.311 1.517 10 0 ADAEHO C[C@@H]([NH2+]C1CC(C)(C)C1)C1CNC1 686251934 573958821 /nfs/dbraw/zinc/95/88/21/573958821.db2.gz MVSLAXZPKHLOFY-MRVPVSSYSA-N 1 3 182.311 1.373 10 0 ADAEHO CCCC[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137979 573958875 /nfs/dbraw/zinc/95/88/75/573958875.db2.gz DJJXNDAAUFQBRH-NXEZZACHSA-N 1 3 184.327 1.892 10 0 ADAEHO CC[C@@H]([NH3+])CCN(C)CCCOC 127883845 573959433 /nfs/dbraw/zinc/95/94/33/573959433.db2.gz BNVXPFBLFNIOOJ-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO CN(C)[C@@H](CCC[NH3+])c1ccc[nH]1 259252298 573962312 /nfs/dbraw/zinc/96/23/12/573962312.db2.gz BNAXOOHNRDTDDH-JTQLQIEISA-N 1 3 181.283 1.356 10 0 ADAEHO CC[C@H]([NH3+])CCN(C)C[C@@H]1C[C@@H]1C 127900965 573962343 /nfs/dbraw/zinc/96/23/43/573962343.db2.gz WWKBOHZAGXGCBB-DCAQKATOSA-N 1 3 184.327 1.702 10 0 ADAEHO CCCN(C)C[C@H](CC)C[NH2+]C 259028674 573962485 /nfs/dbraw/zinc/96/24/85/573962485.db2.gz QGKYYXGENTXSFX-SNVBAGLBSA-N 1 3 172.316 1.574 10 0 ADAEHO CCC[N@H+](C)C[C@H](CC)CNC 259028674 573962489 /nfs/dbraw/zinc/96/24/89/573962489.db2.gz QGKYYXGENTXSFX-SNVBAGLBSA-N 1 3 172.316 1.574 10 0 ADAEHO CCC[N@@H+](C)C[C@H](CC)CNC 259028674 573962501 /nfs/dbraw/zinc/96/25/01/573962501.db2.gz QGKYYXGENTXSFX-SNVBAGLBSA-N 1 3 172.316 1.574 10 0 ADAEHO C[NH2+]Cc1ccc(F)c(CN)c1 257912999 573962676 /nfs/dbraw/zinc/96/26/76/573962676.db2.gz ARDWGKBBTJRSNK-UHFFFAOYSA-N 1 3 168.215 1.004 10 0 ADAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)C1CCC1 127896944 573962998 /nfs/dbraw/zinc/96/29/98/573962998.db2.gz MSJFZEPOVGMNKZ-PWSUYJOCSA-N 1 3 196.338 1.859 10 0 ADAEHO CCC(CC)([C@H](C)N)[C@H](C)[NH3+] 238219019 573967307 /nfs/dbraw/zinc/96/73/07/573967307.db2.gz CNIRMALFIXKILN-YUMQZZPRSA-N 1 3 158.289 1.487 10 0 ADAEHO CCCN1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238219237 573967772 /nfs/dbraw/zinc/96/77/72/573967772.db2.gz DUGGQPCATXVBPH-DCAQKATOSA-N 1 3 184.327 1.715 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@H+](C)[C@@H](C)COC 42518082 573967788 /nfs/dbraw/zinc/96/77/88/573967788.db2.gz ARGNSYGQYXHRPW-GUBZILKMSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@H](N)CC[NH2+]CC1CC1 127805583 573967790 /nfs/dbraw/zinc/96/77/90/573967790.db2.gz TZILOFMHTPVXAX-VIFPVBQESA-N 1 3 156.273 1.113 10 0 ADAEHO CC[C@H](N)[C@H](C)[N@@H+](C)[C@@H](C)COC 42518082 573967793 /nfs/dbraw/zinc/96/77/93/573967793.db2.gz ARGNSYGQYXHRPW-GUBZILKMSA-N 1 3 188.315 1.079 10 0 ADAEHO CC[C@H](N)CC[NH2+]CC(C)C 127804243 573968034 /nfs/dbraw/zinc/96/80/34/573968034.db2.gz DEKVZRGSONZKJL-VIFPVBQESA-N 1 3 158.289 1.359 10 0 ADAEHO CC[C@@H](N)CC[NH2+]CC1CC1 127805831 573968047 /nfs/dbraw/zinc/96/80/47/573968047.db2.gz TZILOFMHTPVXAX-SECBINFHSA-N 1 3 156.273 1.113 10 0 ADAEHO CCC(CC)([C@H](C)[NH3+])[C@@H](C)N 238218764 573968119 /nfs/dbraw/zinc/96/81/19/573968119.db2.gz CNIRMALFIXKILN-OCAPTIKFSA-N 1 3 158.289 1.487 10 0 ADAEHO CCC(CC)([C@H](C)N)[C@@H](C)[NH3+] 238218764 573968124 /nfs/dbraw/zinc/96/81/24/573968124.db2.gz CNIRMALFIXKILN-OCAPTIKFSA-N 1 3 158.289 1.487 10 0 ADAEHO CC(C)N(CCC(N)=[NH2+])CC1CC1 42529777 573968174 /nfs/dbraw/zinc/96/81/74/573968174.db2.gz GVEUILBOFDTUOZ-UHFFFAOYSA-N 1 3 183.299 1.433 10 0 ADAEHO CNCC1(C[N@@H+](C)CC(C)(C)C)CC1 259030699 573969213 /nfs/dbraw/zinc/96/92/13/573969213.db2.gz ZKDQQAPIMBEEEG-UHFFFAOYSA-N 1 3 198.354 1.964 10 0 ADAEHO CC(C)CN(C[C@@H](C)C(N)=[NH2+])C1CC1 42557510 573969229 /nfs/dbraw/zinc/96/92/29/573969229.db2.gz KROMYOCNCUYUKV-SECBINFHSA-N 1 3 197.326 1.679 10 0 ADAEHO CC[C@@H](N)CC[NH2+]CC(C)C 127804452 573969334 /nfs/dbraw/zinc/96/93/34/573969334.db2.gz DEKVZRGSONZKJL-SECBINFHSA-N 1 3 158.289 1.359 10 0 ADAEHO CC(C)C[N@H+](CC[C@@H](C)N)C1CC1 42556410 573970128 /nfs/dbraw/zinc/97/01/28/573970128.db2.gz JBDXVJUUSMGHGO-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)C[N@@H+](CC[C@@H](C)N)C1CC1 42556410 573970130 /nfs/dbraw/zinc/97/01/30/573970130.db2.gz JBDXVJUUSMGHGO-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](CN)C1 42556653 573969452 /nfs/dbraw/zinc/96/94/52/573969452.db2.gz ZTHFEVYTHBIBOZ-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](CN)C1 42556653 573969456 /nfs/dbraw/zinc/96/94/56/573969456.db2.gz ZTHFEVYTHBIBOZ-GARJFASQSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@@H](N)CC[NH2+]CC(C)(C)C 127808661 573970064 /nfs/dbraw/zinc/97/00/64/573970064.db2.gz DLTQEMPURPIFCK-SECBINFHSA-N 1 3 172.316 1.750 10 0 ADAEHO CC[C@H](N)CC[N@H+](CC)CC1CC1 127901505 573975061 /nfs/dbraw/zinc/97/50/61/573975061.db2.gz KBCHBLLYRHCENW-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H](N)CC[N@@H+](CC)CC1CC1 127901505 573975064 /nfs/dbraw/zinc/97/50/64/573975064.db2.gz KBCHBLLYRHCENW-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC[C@H]([NH3+])CCN(CC)CC1CC1 127901505 573975070 /nfs/dbraw/zinc/97/50/70/573975070.db2.gz KBCHBLLYRHCENW-NSHDSACASA-N 1 3 184.327 1.846 10 0 ADAEHO CC(C)C[C@@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 42584079 573976230 /nfs/dbraw/zinc/97/62/30/573976230.db2.gz BNUFDJKKFDFJCK-NXEZZACHSA-N 1 3 199.342 1.925 10 0 ADAEHO NC(=[NH2+])CCN(C1CCCC1)C1CC1 42547868 573978722 /nfs/dbraw/zinc/97/87/22/573978722.db2.gz VPIROGQURKXVAP-UHFFFAOYSA-N 1 3 195.310 1.719 10 0 ADAEHO CC(C)N(CCC(N)=[NH2+])C1CC1 42547904 573977870 /nfs/dbraw/zinc/97/78/70/573977870.db2.gz FTOCLKSVSIPHTD-UHFFFAOYSA-N 1 3 169.272 1.185 10 0 ADAEHO CC(C)C[C@H](C)[N@H+](C)CCCN 42562698 573977890 /nfs/dbraw/zinc/97/78/90/573977890.db2.gz AYQIUZSPMMULIC-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)C[C@H](C)[N@@H+](C)CCCN 42562698 573977895 /nfs/dbraw/zinc/97/78/95/573977895.db2.gz AYQIUZSPMMULIC-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)C[C@H](C)N(C)CCC[NH3+] 42562698 573977899 /nfs/dbraw/zinc/97/78/99/573977899.db2.gz AYQIUZSPMMULIC-JTQLQIEISA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)C[C@@H](C)[N@H+](C)CCCN 42562696 573978056 /nfs/dbraw/zinc/97/80/56/573978056.db2.gz AYQIUZSPMMULIC-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)C[C@@H](C)[N@@H+](C)CCCN 42562696 573978061 /nfs/dbraw/zinc/97/80/61/573978061.db2.gz AYQIUZSPMMULIC-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)C[C@@H](C)N(C)CCC[NH3+] 42562696 573978065 /nfs/dbraw/zinc/97/80/65/573978065.db2.gz AYQIUZSPMMULIC-SNVBAGLBSA-N 1 3 172.316 1.702 10 0 ADAEHO CC(C)CCN(CCC(N)=[NH2+])C1CC1 42547862 573978413 /nfs/dbraw/zinc/97/84/13/573978413.db2.gz IRTQLXXSEUNCAQ-UHFFFAOYSA-N 1 3 197.326 1.823 10 0 ADAEHO C[NH2+]C[C@H]1CN(C)CCC1(C)C 259255672 573978493 /nfs/dbraw/zinc/97/84/93/573978493.db2.gz MRKUJBNSRIRFBI-VIFPVBQESA-N 1 3 170.300 1.184 10 0 ADAEHO CC(C)C[C@H](C)N(C)C[C@@H](C)C(N)=[NH2+] 42584081 573978663 /nfs/dbraw/zinc/97/86/63/573978663.db2.gz BNUFDJKKFDFJCK-ZJUUUORDSA-N 1 3 199.342 1.925 10 0 ADAEHO CC[C@@H]([NH3+])CCN(CC)CCOC 127828262 573980384 /nfs/dbraw/zinc/98/03/84/573980384.db2.gz NJYOEEYHXNRRQI-SNVBAGLBSA-N 1 3 188.315 1.082 10 0 ADAEHO NCCC[NH2+]CCCC1CCCC1 81948675 573979491 /nfs/dbraw/zinc/97/94/91/573979491.db2.gz DHGUJNDBPHBFLP-UHFFFAOYSA-N 1 3 184.327 1.895 10 0 ADAEHO CC(C)C[C@H](C)[N@H+](C)C[C@@H](C)CN 42562722 573979637 /nfs/dbraw/zinc/97/96/37/573979637.db2.gz UYNDTXDJXVEHHJ-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO CC(C)C[C@H](C)[N@@H+](C)C[C@@H](C)CN 42562722 573979643 /nfs/dbraw/zinc/97/96/43/573979643.db2.gz UYNDTXDJXVEHHJ-QWRGUYRKSA-N 1 3 186.343 1.948 10 0 ADAEHO NC[C@@H](C[NH2+]C1CCC1)C1CC1 258193956 573979895 /nfs/dbraw/zinc/97/98/95/573979895.db2.gz JAFAGGXLYBUGPC-VIFPVBQESA-N 1 3 168.284 1.113 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@H+](C)C1CCC1 127834234 573980119 /nfs/dbraw/zinc/98/01/19/573980119.db2.gz HNPKPJYHHVIQJF-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H](N)C(C)(C)C[N@@H+](C)C1CCC1 127834234 573980124 /nfs/dbraw/zinc/98/01/24/573980124.db2.gz HNPKPJYHHVIQJF-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@H]([NH3+])C(C)(C)CN(C)C1CCC1 127834234 573980130 /nfs/dbraw/zinc/98/01/30/573980130.db2.gz HNPKPJYHHVIQJF-VIFPVBQESA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[N@@H+]1C[C@H](C)[C@@H](N)C[C@@H]1C 238222473 573980248 /nfs/dbraw/zinc/98/02/48/573980248.db2.gz XRHZVLMGKUDFNZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCC[N@H+]1C[C@H](C)[C@@H](N)C[C@@H]1C 238222473 573980255 /nfs/dbraw/zinc/98/02/55/573980255.db2.gz XRHZVLMGKUDFNZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO CCCCN1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238222473 573980258 /nfs/dbraw/zinc/98/02/58/573980258.db2.gz XRHZVLMGKUDFNZ-DCAQKATOSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C(C)(C)C[N@H+](C)C1CCC1 127834435 573980276 /nfs/dbraw/zinc/98/02/76/573980276.db2.gz HNPKPJYHHVIQJF-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H](N)C(C)(C)C[N@@H+](C)C1CCC1 127834435 573980284 /nfs/dbraw/zinc/98/02/84/573980284.db2.gz HNPKPJYHHVIQJF-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO C[C@@H]([NH3+])C(C)(C)CN(C)C1CCC1 127834435 573980286 /nfs/dbraw/zinc/98/02/86/573980286.db2.gz HNPKPJYHHVIQJF-SECBINFHSA-N 1 3 184.327 1.844 10 0 ADAEHO CC[C@H](C)N(CCC(N)=[NH2+])C1CC1 42548033 573980299 /nfs/dbraw/zinc/98/02/99/573980299.db2.gz QABONSNMYANVAM-QMMMGPOBSA-N 1 3 183.299 1.575 10 0 ADAEHO CC(C)[N@H+](CC[C@@H](C)N)CC1CC1 42581848 573983476 /nfs/dbraw/zinc/98/34/76/573983476.db2.gz LMKYZYZIYMJWOX-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+](CC[C@@H](C)N)CC1CC1 42581848 573983479 /nfs/dbraw/zinc/98/34/79/573983479.db2.gz LMKYZYZIYMJWOX-SNVBAGLBSA-N 1 3 184.327 1.844 10 0 ADAEHO CC(C)[N@@H+]1CCC[C@H](C2(N)CCC2)C1 258194863 573986099 /nfs/dbraw/zinc/98/60/99/573986099.db2.gz YVNANHXHCZSCGW-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)[N@H+]1CCC[C@H](C2(N)CCC2)C1 258194863 573986103 /nfs/dbraw/zinc/98/61/03/573986103.db2.gz YVNANHXHCZSCGW-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC(C)N1CCC[C@H](C2([NH3+])CCC2)C1 258194863 573986106 /nfs/dbraw/zinc/98/61/06/573986106.db2.gz YVNANHXHCZSCGW-NSHDSACASA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)C[C@@H](CN2CCCC2)C[NH2+]1 258195398 573986334 /nfs/dbraw/zinc/98/63/34/573986334.db2.gz MZKPPMNOSAQKTQ-SNVBAGLBSA-N 1 3 182.311 1.470 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](N)c1ccccc1 259259616 573987094 /nfs/dbraw/zinc/98/70/94/573987094.db2.gz GSOOJMPNUFKBQH-KOLCDFICSA-N 1 3 178.279 1.671 10 0 ADAEHO CCCc1ccc([C@H](N)CC[NH3+])cc1 259260330 573987292 /nfs/dbraw/zinc/98/72/92/573987292.db2.gz INIGGAPPCLEOJZ-GFCCVEGCSA-N 1 3 192.306 1.988 10 0 ADAEHO CN(C)Cc1ccc([C@@H]2CC[NH2+]2)cc1 104458866 573987524 /nfs/dbraw/zinc/98/75/24/573987524.db2.gz FOLVOXULAYMJLN-LBPRGKRZSA-N 1 3 190.290 1.783 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](N)c1ccccc1 259259614 573990237 /nfs/dbraw/zinc/99/02/37/573990237.db2.gz GSOOJMPNUFKBQH-GXSJLCMTSA-N 1 3 178.279 1.671 10 0 ADAEHO CCCCC[C@](C)(N)C[NH3+] 87648303 573990267 /nfs/dbraw/zinc/99/02/67/573990267.db2.gz AEUIDVKRNGKFDY-QMMMGPOBSA-N 1 3 144.262 1.243 10 0 ADAEHO C1=CC[C@H]([NH2+]C[C@@H]2CCCNC2)CC1 87647544 573990276 /nfs/dbraw/zinc/99/02/76/573990276.db2.gz ZDWQMCXBFVUKKR-NEPJUHHUSA-N 1 3 194.322 1.684 10 0 ADAEHO CC[C@H](C[NH3+])[C@@H](N)c1ccccc1 259259617 573990486 /nfs/dbraw/zinc/99/04/86/573990486.db2.gz GSOOJMPNUFKBQH-MWLCHTKSSA-N 1 3 178.279 1.671 10 0 ADAEHO C1=CC[C@@H]([NH2+]C[C@@H]2CCCNC2)CC1 87647548 573990587 /nfs/dbraw/zinc/99/05/87/573990587.db2.gz ZDWQMCXBFVUKKR-VXGBXAGGSA-N 1 3 194.322 1.684 10 0 ADAEHO CCN1CCC[C@@](C)(C(N)=[NH2+])C1 238233199 573990690 /nfs/dbraw/zinc/99/06/90/573990690.db2.gz WOWWKTWUFALCQN-SECBINFHSA-N 1 3 169.272 1.044 10 0 ADAEHO CC(C)C[C@@H](C)N(C)CCC(N)=[NH2+] 42584067 573990800 /nfs/dbraw/zinc/99/08/00/573990800.db2.gz MDAILIFMPDYKAM-SECBINFHSA-N 1 3 185.315 1.679 10 0 ADAEHO C[C@H](C[NH2+][C@H](C)C1CNC1)C1CCC1 686252137 573992559 /nfs/dbraw/zinc/99/25/59/573992559.db2.gz DVHFZXVWFOTGMI-NXEZZACHSA-N 1 3 196.338 1.620 10 0 ADAEHO CC(C)C[C@H](C)N(C)CCC(N)=[NH2+] 42584070 573992575 /nfs/dbraw/zinc/99/25/75/573992575.db2.gz MDAILIFMPDYKAM-VIFPVBQESA-N 1 3 185.315 1.679 10 0 ADAEHO C1=CC[C@H]([NH2+]C[C@H]2CCCNC2)CC1 87647542 573992732 /nfs/dbraw/zinc/99/27/32/573992732.db2.gz ZDWQMCXBFVUKKR-RYUDHWBXSA-N 1 3 194.322 1.684 10 0 ADAEHO C[C@H]([NH2+]C[C@H](C)C1CCC1)C1CNC1 686252139 573992827 /nfs/dbraw/zinc/99/28/27/573992827.db2.gz DVHFZXVWFOTGMI-UWVGGRQHSA-N 1 3 196.338 1.620 10 0 ADAEHO CCC[C@@H](C)[NH2+]C1CC(N)C1 87651057 573993946 /nfs/dbraw/zinc/99/39/46/573993946.db2.gz UXYULRAREBZLAK-AFPNSQJFSA-N 1 3 156.273 1.254 10 0 ADAEHO CCC[C@@H](C)NC1CC([NH3+])C1 87651057 573993947 /nfs/dbraw/zinc/99/39/47/573993947.db2.gz UXYULRAREBZLAK-AFPNSQJFSA-N 1 3 156.273 1.254 10 0 ADAEHO CC1(C)C(NC2CC([NH3+])C2)C1(C)C 87652147 573993964 /nfs/dbraw/zinc/99/39/64/573993964.db2.gz YZQWEJLHVMJAJO-UHFFFAOYSA-N 1 3 182.311 1.500 10 0 ADAEHO CC1(C)C([NH2+]C2CC(N)C2)C1(C)C 87652147 573993968 /nfs/dbraw/zinc/99/39/68/573993968.db2.gz YZQWEJLHVMJAJO-UHFFFAOYSA-N 1 3 182.311 1.500 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@]12CCC[C@H]1C2 715112699 573993977 /nfs/dbraw/zinc/99/39/77/573993977.db2.gz AFXAGKUTMNFDNW-UTLUCORTSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@]12CCC[C@H]1C2 715112699 573993981 /nfs/dbraw/zinc/99/39/81/573993981.db2.gz AFXAGKUTMNFDNW-UTLUCORTSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@H]1CCC[C@H]([NH2+]C2CC(N)C2)C1 87651324 573994043 /nfs/dbraw/zinc/99/40/43/573994043.db2.gz OUZXIFGVJNIIGP-XEAZBWPWSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H](N)CC[NH2+][C@@]12CCC[C@@H]1C2 715112697 573993399 /nfs/dbraw/zinc/99/33/99/573993399.db2.gz AFXAGKUTMNFDNW-OPRDCNLKSA-N 1 3 168.284 1.256 10 0 ADAEHO C[C@@H]([NH3+])CCN[C@@]12CCC[C@@H]1C2 715112697 573993404 /nfs/dbraw/zinc/99/34/04/573993404.db2.gz AFXAGKUTMNFDNW-OPRDCNLKSA-N 1 3 168.284 1.256 10 0 ADAEHO NC1CC([NH2+]CC2CCCC2)C1 87651327 573993407 /nfs/dbraw/zinc/99/34/07/573993407.db2.gz PASKLMXUVMKNFR-UHFFFAOYSA-N 1 3 168.284 1.256 10 0 ADAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)C1CCC1 127911003 573993673 /nfs/dbraw/zinc/99/36/73/573993673.db2.gz GGPKOAXTWLNYTF-KOLCDFICSA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CCC[C@@H]1[NH2+]C1CC(N)C1 87651933 573993744 /nfs/dbraw/zinc/99/37/44/573993744.db2.gz QDILKDNDBMGHFM-NFTFJBJSSA-N 1 3 168.284 1.254 10 0 ADAEHO CC1CCC([NH2+]C2CC(N)C2)CC1 87651111 573993843 /nfs/dbraw/zinc/99/38/43/573993843.db2.gz REBBQZJKAUCRMX-UHFFFAOYSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@H+](C)C1CCC1 127912616 573993855 /nfs/dbraw/zinc/99/38/55/573993855.db2.gz XGWVKQGBGLCMBI-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@@H](CN)[C@@H](C)[N@@H+](C)C1CCC1 127912616 573993860 /nfs/dbraw/zinc/99/38/60/573993860.db2.gz XGWVKQGBGLCMBI-DTWKUNHWSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1CCC[C@@H]([NH2+]C2CC(N)C2)C1 87651326 573995163 /nfs/dbraw/zinc/99/51/63/573995163.db2.gz OUZXIFGVJNIIGP-QPBDYMMBSA-N 1 3 182.311 1.644 10 0 ADAEHO C[C@H]1CCCC[C@@H]1[NH2+]C1CC(N)C1 87651130 573995282 /nfs/dbraw/zinc/99/52/82/573995282.db2.gz WRVHHBSVGODFGS-PMUOWJKOSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@H](N)CC[NH2+]CCC1CC1 127917686 573994605 /nfs/dbraw/zinc/99/46/05/573994605.db2.gz RHSKQVCIFPAUHQ-JTQLQIEISA-N 1 3 170.300 1.504 10 0 ADAEHO NC1CC([NH2+]C2CCCCC2)C1 87651035 573994651 /nfs/dbraw/zinc/99/46/51/573994651.db2.gz FVRUFHCGGVVWKP-UHFFFAOYSA-N 1 3 168.284 1.398 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](N)c1ccc(C)cc1 259262083 573994670 /nfs/dbraw/zinc/99/46/70/573994670.db2.gz GVHVPBWAJRKNQK-PWSUYJOCSA-N 1 3 192.306 1.980 10 0 ADAEHO C[C@H]([NH2+]C[C@]12CCC[C@H]1C2)C1CNC1 686251918 573994678 /nfs/dbraw/zinc/99/46/78/573994678.db2.gz ZPDLKSWYTVTOSA-ZMLRMANQSA-N 1 3 194.322 1.374 10 0 ADAEHO CC[C@@H](N)CC[NH2+]CCC1CC1 127917930 573994708 /nfs/dbraw/zinc/99/47/08/573994708.db2.gz RHSKQVCIFPAUHQ-SNVBAGLBSA-N 1 3 170.300 1.504 10 0 ADAEHO C[C@H]1CCCC[C@H]1[NH2+]C1CC(N)C1 87651132 573995024 /nfs/dbraw/zinc/99/50/24/573995024.db2.gz WRVHHBSVGODFGS-IDWGSYCQSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@@H](C[NH3+])[C@@H](N)c1ccc(C)cc1 259262077 573995027 /nfs/dbraw/zinc/99/50/27/573995027.db2.gz GVHVPBWAJRKNQK-CMPLNLGQSA-N 1 3 192.306 1.980 10 0 ADAEHO C[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)[C@H](C)C1 87651976 573995046 /nfs/dbraw/zinc/99/50/46/573995046.db2.gz QXYFBOXZBMADEY-GQYKCQBRSA-N 1 3 196.338 1.890 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@H+](C)C1CCC1 127912856 573995068 /nfs/dbraw/zinc/99/50/68/573995068.db2.gz XGWVKQGBGLCMBI-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H](CN)[C@@H](C)[N@@H+](C)C1CCC1 127912856 573995073 /nfs/dbraw/zinc/99/50/73/573995073.db2.gz XGWVKQGBGLCMBI-RKDXNWHRSA-N 1 3 170.300 1.454 10 0 ADAEHO C[C@H]1C[C@H]([NH2+]C2CC(N)C2)CC[C@H]1C 87652033 573995108 /nfs/dbraw/zinc/99/51/08/573995108.db2.gz BCSSDEZPWYPUSH-TZMBILIQSA-N 1 3 196.338 1.890 10 0 ADAEHO CC[C@H](N)CC[NH2+]C[C@H](C)C(C)C 127912067 573997687 /nfs/dbraw/zinc/99/76/87/573997687.db2.gz LXWCDMLIYYOINF-QWRGUYRKSA-N 1 3 186.343 1.996 10 0 ADAEHO C[NH2+][C@H](c1sccc1C)C1CNC1 259265888 573997820 /nfs/dbraw/zinc/99/78/20/573997820.db2.gz HTEJPPXECMJSSX-VIFPVBQESA-N 1 3 196.319 1.536 10 0 ADAEHO CC[C@H](C)N(C)C1CC([NH3+])C1 87653198 573998026 /nfs/dbraw/zinc/99/80/26/573998026.db2.gz QEBFGBCROWESSP-UEJVZZJDSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H](C1CC1)N(C)C1CC([NH3+])C1 87653226 573998055 /nfs/dbraw/zinc/99/80/55/573998055.db2.gz RUVZKCIUHDKQRP-CUUXFQNZSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1C[C@H](C)CN(C2CC([NH3+])C2)C1 87653151 573998084 /nfs/dbraw/zinc/99/80/84/573998084.db2.gz JWKQPNBIKIULPK-SAAXCQNUSA-N 1 3 182.311 1.454 10 0 ADAEHO CC[C@H](C[NH3+])[C@H](c1cc[nH]c1)N(C)C 259264552 573998106 /nfs/dbraw/zinc/99/81/06/573998106.db2.gz BUOVWWRLBLFKMR-MWLCHTKSSA-N 1 3 195.310 1.602 10 0 ADAEHO CCN(C(C)C)C1CC([NH3+])C1 87653188 573998139 /nfs/dbraw/zinc/99/81/39/573998139.db2.gz UZYATUXGLYDBHK-UHFFFAOYSA-N 1 3 156.273 1.206 10 0 ADAEHO C[C@H]1CCCN(C2CC([NH3+])C2)CC1 87653556 573998164 /nfs/dbraw/zinc/99/81/64/573998164.db2.gz OHMPQIWSNMBGNI-WHXUTIOJSA-N 1 3 182.311 1.598 10 0 ADAEHO C[C@H](CC[NH3+])[C@@H](N)c1ccccn1 259265927 573998284 /nfs/dbraw/zinc/99/82/84/573998284.db2.gz ITKRXCADCXWWKC-PSASIEDQSA-N 1 3 179.267 1.066 10 0 ADAEHO C[C@@H](C1CC1)N(C)C1CC([NH3+])C1 87653225 574000950 /nfs/dbraw/zinc/00/09/50/574000950.db2.gz RUVZKCIUHDKQRP-WFRXLMHJSA-N 1 3 168.284 1.206 10 0 ADAEHO C[C@H]1C[C@@H](C)CN(C2CC([NH3+])C2)C1 87653150 574000332 /nfs/dbraw/zinc/00/03/32/574000332.db2.gz JWKQPNBIKIULPK-IXBNRNDTSA-N 1 3 182.311 1.454 10 0 ADAEHO C[C@H]1CCCCN1C1CC([NH3+])C1 87653128 574000535 /nfs/dbraw/zinc/00/05/35/574000535.db2.gz JFTAKNJSVKSYFK-IDKOKCKLSA-N 1 3 168.284 1.351 10 0 ADAEHO C[C@@H](CC[NH3+])[C@@H](N)c1ccccn1 259265936 574000617 /nfs/dbraw/zinc/00/06/17/574000617.db2.gz ITKRXCADCXWWKC-WCBMZHEXSA-N 1 3 179.267 1.066 10 0 ADAEHO CCC[C@@H](CC[NH2+]C)N(C)C 82291687 574000681 /nfs/dbraw/zinc/00/06/81/574000681.db2.gz KSQPNUQFXJPJRA-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO CCC[C@@H](CCNC)[NH+](C)C 82291687 574000687 /nfs/dbraw/zinc/00/06/87/574000687.db2.gz KSQPNUQFXJPJRA-VIFPVBQESA-N 1 3 158.289 1.326 10 0 ADAEHO C[C@H]1CC[C@@H](C)CN1C1CC([NH3+])C1 87653609 574000741 /nfs/dbraw/zinc/00/07/41/574000741.db2.gz UGKZXUBEFICHCO-MFQSTILNSA-N 1 3 182.311 1.597 10 0 ADAEHO CCCC1CCN(C2CC([NH3+])C2)CC1 87653474 574000751 /nfs/dbraw/zinc/00/07/51/574000751.db2.gz RKZDLGSUBJQDDE-UHFFFAOYSA-N 1 3 196.338 1.988 10 0 ADAEHO CC[C@@H]1CCCN(C2CC([NH3+])C2)CC1 87653584 574000869 /nfs/dbraw/zinc/00/08/69/574000869.db2.gz MZMZVUQCZFGDAC-VOMCLLRMSA-N 1 3 196.338 1.988 10 0 ADAEHO CC1(C)CCN(C2CC([NH3+])C2)C1 87653661 574002392 /nfs/dbraw/zinc/00/23/92/574002392.db2.gz QSWJHXYHADATNY-UHFFFAOYSA-N 1 3 168.284 1.208 10 0 ADAEHO C[C@@H]1CCCN(C2CC([NH3+])C2)C1 87653133 574002409 /nfs/dbraw/zinc/00/24/09/574002409.db2.gz NDQJHARQTRDPTK-XNWIYYODSA-N 1 3 168.284 1.208 10 0 ADAEHO CC[C@H]1CCCN(C2CC([NH3+])C2)C1 87653255 574002461 /nfs/dbraw/zinc/00/24/61/574002461.db2.gz UFLNXTLCBPAAAC-WHXUTIOJSA-N 1 3 182.311 1.598 10 0 ADAEHO CCC[C@H](CCNC)[NH+]1CCCC1 82291804 574002465 /nfs/dbraw/zinc/00/24/65/574002465.db2.gz GOHFYFXLCFCYGN-LLVKDONJSA-N 1 3 184.327 1.860 10 0 ADAEHO C[C@@H]1CCC[C@@H](N(C)C2CC([NH3+])C2)C1 87653338 574002749 /nfs/dbraw/zinc/00/27/49/574002749.db2.gz HJTSDKGZLLPBHN-QTAHKJALSA-N 1 3 196.338 1.987 10 0 ADAEHO CC[C@@H](C)N(C)C1CC([NH3+])C1 87653197 574002789 /nfs/dbraw/zinc/00/27/89/574002789.db2.gz QEBFGBCROWESSP-AFPNSQJFSA-N 1 3 156.273 1.206 10 0 ADAEHO C[NH2+]CC[C@H](CC(C)C)N(C)C 82291734 574002807 /nfs/dbraw/zinc/00/28/07/574002807.db2.gz MNNTTZUFROUNHS-SNVBAGLBSA-N 1 3 172.316 1.572 10 0 ADAEHO C[C@@H]1CCN(C2CC([NH3+])C2)[C@H](C)C1 87653476 574002809 /nfs/dbraw/zinc/00/28/09/574002809.db2.gz OATVCPQQGRGSFK-NKVNRFPTSA-N 1 3 182.311 1.597 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@]12CCC[C@H]1C2 715112898 574002833 /nfs/dbraw/zinc/00/28/33/574002833.db2.gz OGGYLEAIPOEZLR-OUAUKWLOSA-N 1 3 182.311 1.504 10 0 ADAEHO CCCCN(C)[C@@H](C)CC(N)=[NH2+] 48249753 574002974 /nfs/dbraw/zinc/00/29/74/574002974.db2.gz PJWZXTHHKUROSB-QMMMGPOBSA-N 1 3 171.288 1.433 10 0 ADAEHO CC(C)C1CN(C[C@@H]2CC[NH2+]C2)C1 87655443 574004061 /nfs/dbraw/zinc/00/40/61/574004061.db2.gz HURGFJPHKMDMTF-SNVBAGLBSA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)C1CN(C[C@H]2CC[NH2+]C2)C1 87655444 574004199 /nfs/dbraw/zinc/00/41/99/574004199.db2.gz HURGFJPHKMDMTF-JTQLQIEISA-N 1 3 182.311 1.184 10 0 ADAEHO CC(C)(C)C1CN(C[C@H]2CC[NH2+]C2)C1 87655430 574004323 /nfs/dbraw/zinc/00/43/23/574004323.db2.gz ZUIYVJJMZQNZFT-JTQLQIEISA-N 1 3 196.338 1.574 10 0 ADAEHO c1cc(NC[C@H]2CC[NH2+]C2)ccn1 87655394 574004353 /nfs/dbraw/zinc/00/43/53/574004353.db2.gz HTDUNWRZJFTKSL-VIFPVBQESA-N 1 3 177.251 1.103 10 0 ADAEHO CC(C)(C)C1CN(C[C@@H]2CC[NH2+]C2)C1 87655429 574005107 /nfs/dbraw/zinc/00/51/07/574005107.db2.gz ZUIYVJJMZQNZFT-SNVBAGLBSA-N 1 3 196.338 1.574 10 0 ADAEHO CCN1CC=C(C[C@H](C)[NH3+])CC1 258199884 574006830 /nfs/dbraw/zinc/00/68/30/574006830.db2.gz UNKMYDZNOGFQTD-VIFPVBQESA-N 1 3 168.284 1.376 10 0 ADAEHO C[N@@H+]1CCCC[C@H]1C1(N)CCCC1 258199515 574007225 /nfs/dbraw/zinc/00/72/25/574007225.db2.gz ZDKRFQIDKHJDHJ-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[N@H+]1CCCC[C@H]1C1(N)CCCC1 258199515 574007229 /nfs/dbraw/zinc/00/72/29/574007229.db2.gz ZDKRFQIDKHJDHJ-JTQLQIEISA-N 1 3 182.311 1.742 10 0 ADAEHO C[C@@H](N)CC[NH2+]C[C@]12CCCC[C@H]1C2 715113161 574007269 /nfs/dbraw/zinc/00/72/69/574007269.db2.gz ZCVOFBRCGNNGGR-GRYCIOLGSA-N 1 3 196.338 1.894 10 0 ADAEHO CN(C)Cc1cccc(C2([NH3+])CC2)c1 104493294 574009499 /nfs/dbraw/zinc/00/94/99/574009499.db2.gz QLQNFSNFXGBXFI-UHFFFAOYSA-N 1 3 190.290 1.696 10 0 ADAEHO CCCN1CCC(C)(C)[C@@H](C[NH2+]C)C1 259272149 574009874 /nfs/dbraw/zinc/00/98/74/574009874.db2.gz NSTLTAQTNXUGRW-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[N@@H+]1CCC(C)(C)[C@@H](CNC)C1 259272149 574009879 /nfs/dbraw/zinc/00/98/79/574009879.db2.gz NSTLTAQTNXUGRW-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[N@H+]1CCC(C)(C)[C@@H](CNC)C1 259272149 574009882 /nfs/dbraw/zinc/00/98/82/574009882.db2.gz NSTLTAQTNXUGRW-NSHDSACASA-N 1 3 198.354 1.964 10 0 ADAEHO CCN1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238247341 574009885 /nfs/dbraw/zinc/00/98/85/574009885.db2.gz ZRINLIIHOPHAPQ-GUBZILKMSA-N 1 3 170.300 1.325 10 0 ADAEHO NC[C@@H](C[NH+]1CCCC1)C1CCCC1 258465973 574009892 /nfs/dbraw/zinc/00/98/92/574009892.db2.gz YCLPVAKRWZVKAH-LBPRGKRZSA-N 1 3 196.338 1.847 10 0 ADAEHO CNC(C)(C)[C@H]([NH3+])C1CCCCC1 259271469 574010754 /nfs/dbraw/zinc/01/07/54/574010754.db2.gz IXTJLLAUTJPEED-SNVBAGLBSA-N 1 3 184.327 1.892 10 0 ADAEHO CCC[N@@H+]1CCC(C)(C)[C@H](CNC)C1 259272146 574011579 /nfs/dbraw/zinc/01/15/79/574011579.db2.gz NSTLTAQTNXUGRW-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CCC[N@H+]1CCC(C)(C)[C@H](CNC)C1 259272146 574011583 /nfs/dbraw/zinc/01/15/83/574011583.db2.gz NSTLTAQTNXUGRW-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO CC[N@@H+]1C[C@H](CNC)CCC1(C)C 259272139 574011729 /nfs/dbraw/zinc/01/17/29/574011729.db2.gz GCKKOZOAAQLPSC-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC[N@H+]1C[C@H](CNC)CCC1(C)C 259272139 574011733 /nfs/dbraw/zinc/01/17/33/574011733.db2.gz GCKKOZOAAQLPSC-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CCN1C[C@H](C[NH2+]C)CCC1(C)C 259272139 574011736 /nfs/dbraw/zinc/01/17/36/574011736.db2.gz GCKKOZOAAQLPSC-JTQLQIEISA-N 1 3 184.327 1.716 10 0 ADAEHO CC(C)N1C[C@H]2C[N@@H+](C3CC3)C[C@H]2C1 585382037 574012027 /nfs/dbraw/zinc/01/20/27/574012027.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 1 3 194.322 1.421 10 0 ADAEHO CC(C)N1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382037 574012032 /nfs/dbraw/zinc/01/20/32/574012032.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 1 3 194.322 1.421 10 0 ADAEHO CC(C)[N@@H+]1C[C@@H]2CN(C3CC3)C[C@@H]2C1 585382037 574012035 /nfs/dbraw/zinc/01/20/35/574012035.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 1 3 194.322 1.421 10 0 ADAEHO CC(C)[N@H+]1C[C@@H]2CN(C3CC3)C[C@@H]2C1 585382037 574012040 /nfs/dbraw/zinc/01/20/40/574012040.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 1 3 194.322 1.421 10 0 ADAEHO CCCN1C[C@H]2C[N@@H+](C3CC3)C[C@H]2C1 585382258 574012060 /nfs/dbraw/zinc/01/20/60/574012060.db2.gz KWYHYKBEBJYERC-PHIMTYICSA-N 1 3 194.322 1.422 10 0 ADAEHO CCCN1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382258 574012065 /nfs/dbraw/zinc/01/20/65/574012065.db2.gz KWYHYKBEBJYERC-PHIMTYICSA-N 1 3 194.322 1.422 10 0 ADAEHO CCN[C@@H]1CC[C@H](C)[NH2+][C@@H]1C 238247629 574012069 /nfs/dbraw/zinc/01/20/69/574012069.db2.gz JYXUVZJCKDNVNU-DJLDLDEBSA-N 1 3 156.273 1.125 10 0 ADAEHO CC(C)N1C[C@H]2C[NH+](C3CC3)C[C@@H]2C1 585382038 574012231 /nfs/dbraw/zinc/01/22/31/574012231.db2.gz GRWSDHQXPHYPQO-QWRGUYRKSA-N 1 3 194.322 1.421 10 0 ADAEHO CC(C)[NH+]1C[C@H]2CN(C3CC3)C[C@@H]2C1 585382038 574012235 /nfs/dbraw/zinc/01/22/35/574012235.db2.gz GRWSDHQXPHYPQO-QWRGUYRKSA-N 1 3 194.322 1.421 10 0 ADAEHO CCCN1CCC(C)(C)[C@H](C[NH2+]C)C1 259272146 574011575 /nfs/dbraw/zinc/01/15/75/574011575.db2.gz NSTLTAQTNXUGRW-LLVKDONJSA-N 1 3 198.354 1.964 10 0 ADAEHO C[N@@H+]1CCNCC2(CCCC2)C1 259272961 574015031 /nfs/dbraw/zinc/01/50/31/574015031.db2.gz PELPUNGVPCANRT-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C[N@H+]1CCNCC2(CCCC2)C1 259272961 574015034 /nfs/dbraw/zinc/01/50/34/574015034.db2.gz PELPUNGVPCANRT-UHFFFAOYSA-N 1 3 168.284 1.082 10 0 ADAEHO C[C@H]([NH3+])CC[C@@H](c1ccc[nH]1)N(C)C 259274134 574016315 /nfs/dbraw/zinc/01/63/15/574016315.db2.gz CCAJNZMBDORKAF-ONGXEEELSA-N 1 3 195.310 1.745 10 0 ADAEHO CN(C)Cc1ccc([C@H]2CC[NH2+]2)cc1 104499557 574016404 /nfs/dbraw/zinc/01/64/04/574016404.db2.gz FOLVOXULAYMJLN-GFCCVEGCSA-N 1 3 190.290 1.783 10 0 ADAEHO CC[N@@H+]1C[C@H](CN)CCC1(C)C 259275042 574016710 /nfs/dbraw/zinc/01/67/10/574016710.db2.gz GHDUUUFOMUSTBC-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO CC[N@H+]1C[C@H](CN)CCC1(C)C 259275042 574016714 /nfs/dbraw/zinc/01/67/14/574016714.db2.gz GHDUUUFOMUSTBC-VIFPVBQESA-N 1 3 170.300 1.456 10 0 ADAEHO C[C@@H]([NH3+])CC[C@H](c1ccc[nH]1)N(C)C 259274133 574016786 /nfs/dbraw/zinc/01/67/86/574016786.db2.gz CCAJNZMBDORKAF-MWLCHTKSSA-N 1 3 195.310 1.745 10 0 ADAEHO C[C@H]([NH3+])CC[C@H](c1ccc[nH]1)N(C)C 259274129 574018112 /nfs/dbraw/zinc/01/81/12/574018112.db2.gz CCAJNZMBDORKAF-GXSJLCMTSA-N 1 3 195.310 1.745 10 0 ADAEHO CN[C@H](c1ccc(F)cc1)[C@@H](C)C[NH3+] 259277128 574021646 /nfs/dbraw/zinc/02/16/46/574021646.db2.gz HHTDBGUASQSIJP-KWQFWETISA-N 1 3 196.269 1.681 10 0 ADAEHO CCC[C@@]1(NCC2([NH3+])CC2)CCOC1 393501976 574021717 /nfs/dbraw/zinc/02/17/17/574021717.db2.gz SVKPKYIUBMBRAK-LLVKDONJSA-N 1 3 198.310 1.027 10 0 ADAEHO CCC[C@H]([NH3+])C(C)(C)NC 259279230 574021808 /nfs/dbraw/zinc/02/18/08/574021808.db2.gz JDURLJBQKXWTLR-ZETCQYMHSA-N 1 3 144.262 1.112 10 0 ADAEHO CC[C@H](CN)[C@H](CC(C)C)[NH2+]C 259278555 574022049 /nfs/dbraw/zinc/02/20/49/574022049.db2.gz PEZDSVOFGDVDLD-ZJUUUORDSA-N 1 3 172.316 1.605 10 0 ADAEHO CCC[C@]1(NCC2([NH3+])CC2)CCOC1 393501978 574022132 /nfs/dbraw/zinc/02/21/32/574022132.db2.gz SVKPKYIUBMBRAK-NSHDSACASA-N 1 3 198.310 1.027 10 0 ADAEHO CN[C@H](c1ccccc1)C1(C[NH3+])CC1 259279067 574022493 /nfs/dbraw/zinc/02/24/93/574022493.db2.gz IGQOSPMTIHZSFY-LLVKDONJSA-N 1 3 190.290 1.686 10 0 ADAEHO C[NH2+][C@H](c1ccccc1)C1(CN)CC1 259279067 574022496 /nfs/dbraw/zinc/02/24/96/574022496.db2.gz IGQOSPMTIHZSFY-LLVKDONJSA-N 1 3 190.290 1.686 10 0 ADAEHO CN[C@@H](c1ccccc1)C1(C[NH3+])CC1 259279071 574022546 /nfs/dbraw/zinc/02/25/46/574022546.db2.gz IGQOSPMTIHZSFY-NSHDSACASA-N 1 3 190.290 1.686 10 0 ADAEHO C[NH2+][C@@H](c1ccccc1)C1(CN)CC1 259279071 574022550 /nfs/dbraw/zinc/02/25/50/574022550.db2.gz IGQOSPMTIHZSFY-NSHDSACASA-N 1 3 190.290 1.686 10 0 ADAEHO C[C@@H]([NH3+])c1cccn1-c1ccncc1 104523786 574025206 /nfs/dbraw/zinc/02/52/06/574025206.db2.gz YOJSWKWFTQOOJV-SECBINFHSA-N 1 3 187.246 1.892 10 0 ADAEHO CC(C)(C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 85282147 574027998 /nfs/dbraw/zinc/02/79/98/574027998.db2.gz LEMYVSUPIRDLNN-AOOOYVTPSA-N 1 3 182.311 1.184 10 0 ADAEHO C/C=C/CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85285934 574028107 /nfs/dbraw/zinc/02/81/07/574028107.db2.gz BXBOAZJUTLHBQE-MPZJWQKYSA-N 1 3 180.295 1.102 10 0 ADAEHO CC1(C)CC[C@H](N2CC[C@H]([NH3+])C2)C1 87772858 574028213 /nfs/dbraw/zinc/02/82/13/574028213.db2.gz KOHOZLDMFZOSOO-UWVGGRQHSA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@H]([N@@H+]2CC[C@H](CN)C2)C1 87772860 574028288 /nfs/dbraw/zinc/02/82/88/574028288.db2.gz OHUGAZPJKRMVPO-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@H]([N@H+]2CC[C@H](CN)C2)C1 87772860 574028290 /nfs/dbraw/zinc/02/82/90/574028290.db2.gz OHUGAZPJKRMVPO-MNOVXSKESA-N 1 3 196.338 1.846 10 0 ADAEHO CC1(C)CC[C@@H]([N@@H+]2CC[C@H](CN)C2)C1 87772861 574028311 /nfs/dbraw/zinc/02/83/11/574028311.db2.gz OHUGAZPJKRMVPO-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO CC(C)(C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 85282148 574028312 /nfs/dbraw/zinc/02/83/12/574028312.db2.gz LEMYVSUPIRDLNN-NXEZZACHSA-N 1 3 182.311 1.184 10 0 ADAEHO CC1(C)CC[C@@H]([N@H+]2CC[C@H](CN)C2)C1 87772861 574028313 /nfs/dbraw/zinc/02/83/13/574028313.db2.gz OHUGAZPJKRMVPO-GHMZBOCLSA-N 1 3 196.338 1.846 10 0 ADAEHO C[C@H]([NH3+])C1CCN(CCF)CC1 87774052 574029192 /nfs/dbraw/zinc/02/91/92/574029192.db2.gz FELSTPOSTGQVKR-QMMMGPOBSA-N 1 3 174.263 1.015 10 0 ADAEHO C[C@@H]([NH3+])C1CCN(CCF)CC1 87774053 574029286 /nfs/dbraw/zinc/02/92/86/574029286.db2.gz FELSTPOSTGQVKR-MRVPVSSYSA-N 1 3 174.263 1.015 10 0 ADAEHO CN[C@@H](CC[NH3+])c1ccc(F)c(C)c1 259284532 574029812 /nfs/dbraw/zinc/02/98/12/574029812.db2.gz HMMLIJUBPIUVBF-NSHDSACASA-N 1 3 196.269 1.743 10 0 ADAEHO CC1(C)[C@@H](CN)CC[N@@H+]1C1CC1 259285812 574031699 /nfs/dbraw/zinc/03/16/99/574031699.db2.gz GVDBMCOBYZYFEX-MRVPVSSYSA-N 1 3 168.284 1.208 10 0 ADAEHO CC1(C)[C@@H](CN)CC[N@H+]1C1CC1 259285812 574031703 /nfs/dbraw/zinc/03/17/03/574031703.db2.gz GVDBMCOBYZYFEX-MRVPVSSYSA-N 1 3 168.284 1.208 10 0 ADAEHO CC(C)C[C@H](C[C@@H](C)[NH3+])N(C)C 259290555 574036515 /nfs/dbraw/zinc/03/65/15/574036515.db2.gz CRSSLTULKUSNRL-NXEZZACHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)C[C@@H](C[C@H](C)[NH3+])N(C)C 259290557 574036665 /nfs/dbraw/zinc/03/66/65/574036665.db2.gz CRSSLTULKUSNRL-UWVGGRQHSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)C[C@@H](C[C@@H](C)[NH3+])N(C)C 259290561 574036998 /nfs/dbraw/zinc/03/69/98/574036998.db2.gz CRSSLTULKUSNRL-ZJUUUORDSA-N 1 3 172.316 1.700 10 0 ADAEHO CC(C)C[C@H](C[C@H](C)[NH3+])N(C)C 259290560 574037176 /nfs/dbraw/zinc/03/71/76/574037176.db2.gz CRSSLTULKUSNRL-VHSXEESVSA-N 1 3 172.316 1.700 10 0 ADAEHO C[NH2+]C[C@@H]1CN(C2CC2)CCC1(C)C 259292865 574038352 /nfs/dbraw/zinc/03/83/52/574038352.db2.gz PDQSVWMBMBGYED-SNVBAGLBSA-N 1 3 196.338 1.716 10 0 ADAEHO CCC[N@@H+]1C[C@@H](NC)CC1(C)C 259297091 574041609 /nfs/dbraw/zinc/04/16/09/574041609.db2.gz HIWZGZLDBCBNLW-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CCC[N@H+]1C[C@@H](NC)CC1(C)C 259297091 574041611 /nfs/dbraw/zinc/04/16/11/574041611.db2.gz HIWZGZLDBCBNLW-VIFPVBQESA-N 1 3 170.300 1.469 10 0 ADAEHO CC1(C)CC[C@@H](CN)C[N@@H+]1C1CC1 259294361 574041992 /nfs/dbraw/zinc/04/19/92/574041992.db2.gz HGXHSMRMAKAXDH-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@@H](CN)C[N@H+]1C1CC1 259294361 574041995 /nfs/dbraw/zinc/04/19/95/574041995.db2.gz HGXHSMRMAKAXDH-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO CC1(C)CC[C@@H](C[NH3+])CN1C1CC1 259294361 574041998 /nfs/dbraw/zinc/04/19/98/574041998.db2.gz HGXHSMRMAKAXDH-VIFPVBQESA-N 1 3 182.311 1.598 10 0 ADAEHO C[NH2+]CCCCNCc1nccs1 49538999 574042158 /nfs/dbraw/zinc/04/21/58/574042158.db2.gz JCVVUJZIUAGPHR-UHFFFAOYSA-N 1 3 199.323 1.232 10 0 ADAEHO CC[NH+]1CCC([C@]2(C)NCCO2)CC1 258525128 574043903 /nfs/dbraw/zinc/04/39/03/574043903.db2.gz NJLKPPLUYIXOGD-LLVKDONJSA-N 1 3 198.310 1.054 10 0 ADAEHO C[C@H](CCN(C)C)N1CCCC1=[NH2+] 49558010 574043280 /nfs/dbraw/zinc/04/32/80/574043280.db2.gz RZBKDHSZARXLAQ-SECBINFHSA-N 1 3 183.299 1.400 10 0 ADAEHO C[C@H](CC[NH+](C)C)Nc1ccncc1 49558714 574043670 /nfs/dbraw/zinc/04/36/70/574043670.db2.gz SLYYXZSOQCIKRJ-SNVBAGLBSA-N 1 3 193.294 1.834 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@H](N)CC1(C)C 259300323 574047733 /nfs/dbraw/zinc/04/77/33/574047733.db2.gz HMNWEHHZLVLVQA-VIFPVBQESA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@H](N)CC1(C)C 259300323 574047734 /nfs/dbraw/zinc/04/77/34/574047734.db2.gz HMNWEHHZLVLVQA-VIFPVBQESA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)(C)[N@@H+]1CC[C@@H](N)CC1(C)C 259300318 574047811 /nfs/dbraw/zinc/04/78/11/574047811.db2.gz HMNWEHHZLVLVQA-SECBINFHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)(C)[N@H+]1CC[C@@H](N)CC1(C)C 259300318 574047812 /nfs/dbraw/zinc/04/78/12/574047812.db2.gz HMNWEHHZLVLVQA-SECBINFHSA-N 1 3 184.327 1.987 10 0 ADAEHO CC(C)C[N@@H+]1CC[C@H](CN)C1(C)C 259300395 574047890 /nfs/dbraw/zinc/04/78/90/574047890.db2.gz HMYFBHMPHOUNQM-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CC(C)C[N@H+]1CC[C@H](CN)C1(C)C 259300395 574047892 /nfs/dbraw/zinc/04/78/92/574047892.db2.gz HMYFBHMPHOUNQM-SNVBAGLBSA-N 1 3 184.327 1.702 10 0 ADAEHO CCCC[C@H]([NH3+])CN[C@H]1C[C@H]1C1CC1 717008616 574047997 /nfs/dbraw/zinc/04/79/97/574047997.db2.gz BVALFGJXSHULSP-SRVKXCTJSA-N 1 3 196.338 1.892 10 0 ADAEHO CCCC[C@H]([NH3+])CN[C@H]1C[C@@H]1C1CC1 717008620 574048030 /nfs/dbraw/zinc/04/80/30/574048030.db2.gz BVALFGJXSHULSP-TUAOUCFPSA-N 1 3 196.338 1.892 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](C)CN)C1 1170112104 761011926 /nfs/dbraw/zinc/01/19/26/761011926.db2.gz HBIISIXIFKEWBA-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[C@@H]([N@H+](C)C[C@H](C)CN)C1 1170112104 761011943 /nfs/dbraw/zinc/01/19/43/761011943.db2.gz HBIISIXIFKEWBA-GMTAPVOTSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@H]1CC[C@@H](C)C1 1170112107 761013350 /nfs/dbraw/zinc/01/33/50/761013350.db2.gz HBIISIXIFKEWBA-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 1170112107 761013365 /nfs/dbraw/zinc/01/33/65/761013365.db2.gz HBIISIXIFKEWBA-VWYCJHECSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[C@H]([N@@H+](C)C[C@H](C)CN)C1 1170112105 761014324 /nfs/dbraw/zinc/01/43/24/761014324.db2.gz HBIISIXIFKEWBA-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H]1CC[C@H]([N@H+](C)C[C@H](C)CN)C1 1170112105 761014338 /nfs/dbraw/zinc/01/43/38/761014338.db2.gz HBIISIXIFKEWBA-MXWKQRLJSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 1170112106 761015631 /nfs/dbraw/zinc/01/56/31/761015631.db2.gz HBIISIXIFKEWBA-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 1170112106 761015642 /nfs/dbraw/zinc/01/56/42/761015642.db2.gz HBIISIXIFKEWBA-OUAUKWLOSA-N 1 3 184.327 1.702 10 0 ADAEHO CC[C@H]1C[C@H]([NH2+]C2CC(N)C2)CCO1 1170178122 761038676 /nfs/dbraw/zinc/03/86/76/761038676.db2.gz NHRRCXMPNOXRBB-DJRKXVOMSA-N 1 3 198.310 1.023 10 0 ADAEHO CC[C@@H]1C[C@H]([NH2+]C2CC(N)C2)CCO1 1170178125 761039937 /nfs/dbraw/zinc/03/99/37/761039937.db2.gz NHRRCXMPNOXRBB-VGRIYTJTSA-N 1 3 198.310 1.023 10 0 ADAEHO CC[C@@H]1C[C@@H]([NH2+]C2CC(N)C2)CCO1 1170178124 761041782 /nfs/dbraw/zinc/04/17/82/761041782.db2.gz NHRRCXMPNOXRBB-QONHTCSSSA-N 1 3 198.310 1.023 10 0 ADAEHO CC[C@H]1C[C@@H]([NH2+]C2CC(N)C2)CCO1 1170178127 761043147 /nfs/dbraw/zinc/04/31/47/761043147.db2.gz NHRRCXMPNOXRBB-YIYTYNFBSA-N 1 3 198.310 1.023 10 0 ADAEHO CC1(C)[C@H]2C[C@H](N3CC[C@H]([NH3+])C3)C[C@H]21 1170715412 761054316 /nfs/dbraw/zinc/05/43/16/761054316.db2.gz HNYAOLHMBNPZMT-XWLWVQCSSA-N 1 3 194.322 1.454 10 0 ADAEHO CC1(C)[C@H]2C[C@H]([NH2+]C3CC(N)C3)C[C@H]21 1170726385 761054417 /nfs/dbraw/zinc/05/44/17/761054417.db2.gz DQKRZMZQVAONLL-HJTUJNLHSA-N 1 3 194.322 1.500 10 0 ADAEHO C[C@@H](CN)C[NH2+][C@@H]1C[C@H]2[C@@H](C1)C2(C)C 1170730157 761054847 /nfs/dbraw/zinc/05/48/47/761054847.db2.gz IEQNGYIELOYRFH-MMWGEVLESA-N 1 3 196.338 1.605 10 0 ADAEHO C[C@H](CN)C[NH2+][C@@H]1C[C@H]2[C@@H](C1)C2(C)C 1170730155 761055267 /nfs/dbraw/zinc/05/52/67/761055267.db2.gz IEQNGYIELOYRFH-CHWFTXMASA-N 1 3 196.338 1.605 10 0 ADAEHO CC1(C)[C@H]2C[C@H](N3CC[C@@H]([NH3+])C3)C[C@H]21 1170715410 761055448 /nfs/dbraw/zinc/05/54/48/761055448.db2.gz HNYAOLHMBNPZMT-DBIOUOCHSA-N 1 3 194.322 1.454 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 1173267492 761229753 /nfs/dbraw/zinc/22/97/53/761229753.db2.gz MIZVYRZGAVXQII-VKAADOFISA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 1173267491 761233060 /nfs/dbraw/zinc/23/30/60/761233060.db2.gz MIZVYRZGAVXQII-QPBDYMMBSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 1173267493 761236611 /nfs/dbraw/zinc/23/66/11/761236611.db2.gz MIZVYRZGAVXQII-XEAZBWPWSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 1173267490 761239888 /nfs/dbraw/zinc/23/98/88/761239888.db2.gz MIZVYRZGAVXQII-BZCXBAJXSA-N 1 3 182.311 1.644 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN)C1 1173272900 761242585 /nfs/dbraw/zinc/24/25/85/761242585.db2.gz MDBXEMMHAPQWLB-HBNTYKKESA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN)C1 1173272894 761242640 /nfs/dbraw/zinc/24/26/40/761242640.db2.gz MDBXEMMHAPQWLB-AXFHLTTASA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN)C1 1173272898 761249963 /nfs/dbraw/zinc/24/99/63/761249963.db2.gz MDBXEMMHAPQWLB-GMTAPVOTSA-N 1 3 184.327 1.750 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN)C1 1173272902 761253715 /nfs/dbraw/zinc/25/37/15/761253715.db2.gz MDBXEMMHAPQWLB-MXWKQRLJSA-N 1 3 184.327 1.750 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCC[N@H+](C)C1 1208608708 762227978 /nfs/dbraw/zinc/22/79/78/762227978.db2.gz VWVWGMSDWLDMQS-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]1CCN1C[C@H]1CCC[N@H+](C)C1 1208608711 762226696 /nfs/dbraw/zinc/22/66/96/762226696.db2.gz VWVWGMSDWLDMQS-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]1CCN1C[C@H]1CCC[N@@H+](C)C1 1208608711 762226713 /nfs/dbraw/zinc/22/67/13/762226713.db2.gz VWVWGMSDWLDMQS-QWRGUYRKSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]1CCN1C[C@@H]1CCC[N@@H+](C)C1 1208608708 762227986 /nfs/dbraw/zinc/22/79/86/762227986.db2.gz VWVWGMSDWLDMQS-GHMZBOCLSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]1CCN1C[C@@H]1CCC[N@H+](C)C1 1208608712 762231609 /nfs/dbraw/zinc/23/16/09/762231609.db2.gz VWVWGMSDWLDMQS-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@H]1CCN1C[C@@H]1CCC[N@@H+](C)C1 1208608712 762231627 /nfs/dbraw/zinc/23/16/27/762231627.db2.gz VWVWGMSDWLDMQS-WDEREUQCSA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCC[N@H+](C)C1 1208608709 762238177 /nfs/dbraw/zinc/23/81/77/762238177.db2.gz VWVWGMSDWLDMQS-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]1CCN1C[C@H]1CCC[N@@H+](C)C1 1208608709 762238204 /nfs/dbraw/zinc/23/82/04/762238204.db2.gz VWVWGMSDWLDMQS-MNOVXSKESA-N 1 3 182.311 1.422 10 0 ADAEHO C[C@@H]1CC[N@@H+]1Cc1cnccc1N 1209728122 762321214 /nfs/dbraw/zinc/32/12/14/762321214.db2.gz CWWJSMGYVMFQEM-MRVPVSSYSA-N 1 3 177.251 1.088 10 0 ADAEHO C[C@@H]1CC[N@H+]1Cc1cnccc1N 1209728122 762321219 /nfs/dbraw/zinc/32/12/19/762321219.db2.gz CWWJSMGYVMFQEM-MRVPVSSYSA-N 1 3 177.251 1.088 10 0 ADAEHO CN(Cc1c[nH+]ccc1N)C1CC1 1209725838 762323436 /nfs/dbraw/zinc/32/34/36/762323436.db2.gz CJAJCKVOHMDBIH-UHFFFAOYSA-N 1 3 177.251 1.088 10 0 ADAEHO C[C@H]1CC[N@@H+]1Cc1cnccc1N 1209728124 762323533 /nfs/dbraw/zinc/32/35/33/762323533.db2.gz CWWJSMGYVMFQEM-QMMMGPOBSA-N 1 3 177.251 1.088 10 0 ADAEHO C[C@H]1CC[N@H+]1Cc1cnccc1N 1209728124 762323535 /nfs/dbraw/zinc/32/35/35/762323535.db2.gz CWWJSMGYVMFQEM-QMMMGPOBSA-N 1 3 177.251 1.088 10 0 ADAEHO CC[C@H]1CC[C@H]([NH2+]C2CCNCC2)C1 1246072748 765164772 /nfs/dbraw/zinc/16/47/72/765164772.db2.gz LFEWRESMPYFZIB-JQWIXIFHSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 1246072747 765166768 /nfs/dbraw/zinc/16/67/68/765166768.db2.gz LFEWRESMPYFZIB-CMPLNLGQSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 1246072750 765170930 /nfs/dbraw/zinc/17/09/30/765170930.db2.gz LFEWRESMPYFZIB-ZYHUDNBSSA-N 1 3 196.338 1.907 10 0 ADAEHO CC[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 1246072749 765171248 /nfs/dbraw/zinc/17/12/48/765171248.db2.gz LFEWRESMPYFZIB-PWSUYJOCSA-N 1 3 196.338 1.907 10 0 ADAEHO NC1(C[NH2+][C@H]2CCCOC2)CCCC1 1246084120 765172431 /nfs/dbraw/zinc/17/24/31/765172431.db2.gz ODVBLCGAVFCIMR-JTQLQIEISA-N 1 3 198.310 1.027 10 0 ADAEHO NC1(C[NH2+][C@@H]2CCCOC2)CCCC1 1246084122 765179513 /nfs/dbraw/zinc/17/95/13/765179513.db2.gz ODVBLCGAVFCIMR-SNVBAGLBSA-N 1 3 198.310 1.027 10 0 ADAEHO C[C@H]1C[C@H](N[C@H]2C[C@@H](F)C2)CC[NH2+]1 1246221744 765215818 /nfs/dbraw/zinc/21/58/18/765215818.db2.gz JMBXECDDJSETER-AXTSPUMRSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CCN1 1246221744 765215821 /nfs/dbraw/zinc/21/58/21/765215821.db2.gz JMBXECDDJSETER-AXTSPUMRSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@@H]1C[C@H](N[C@H]2C[C@@H](F)C2)CC[NH2+]1 1246221750 765216984 /nfs/dbraw/zinc/21/69/84/765216984.db2.gz JMBXECDDJSETER-KYXWUPHJSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](F)C2)CCN1 1246221750 765216995 /nfs/dbraw/zinc/21/69/95/765216995.db2.gz JMBXECDDJSETER-KYXWUPHJSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H](F)C2)CC[NH2+]1 1246221747 765217509 /nfs/dbraw/zinc/21/75/09/765217509.db2.gz JMBXECDDJSETER-IMSYWVGJSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CCN1 1246221747 765217521 /nfs/dbraw/zinc/21/75/21/765217521.db2.gz JMBXECDDJSETER-IMSYWVGJSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@H]1C[C@@H](N[C@H]2C[C@@H](F)C2)CC[NH2+]1 1246221742 765219077 /nfs/dbraw/zinc/21/90/77/765219077.db2.gz JMBXECDDJSETER-AATLWQCWSA-N 1 3 186.274 1.217 10 0 ADAEHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](F)C2)CCN1 1246221742 765219088 /nfs/dbraw/zinc/21/90/88/765219088.db2.gz JMBXECDDJSETER-AATLWQCWSA-N 1 3 186.274 1.217 10 0 ADAEHO F[C@H]1C[C@@H](NC2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 1246224237 765220008 /nfs/dbraw/zinc/22/00/08/765220008.db2.gz YAYJSHUGFYIAGF-JTDNOXRMSA-N 1 3 198.285 1.360 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 1246517766 765271526 /nfs/dbraw/zinc/27/15/26/765271526.db2.gz BKGRDDFUDSZVQT-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 1246517766 765271534 /nfs/dbraw/zinc/27/15/34/765271534.db2.gz BKGRDDFUDSZVQT-TUAOUCFPSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 1246517763 765272851 /nfs/dbraw/zinc/27/28/51/765272851.db2.gz BKGRDDFUDSZVQT-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 1246517763 765272865 /nfs/dbraw/zinc/27/28/65/765272865.db2.gz BKGRDDFUDSZVQT-QJPTWQEYSA-N 1 3 196.338 1.859 10 0 ADAEHO C[C@@]1([NH3+])CCN([C@H]2C[C@@H]3C[C@@H]3C2)C1 1246529856 765277127 /nfs/dbraw/zinc/27/71/27/765277127.db2.gz MIOMOTNYMRDVHF-LMLFDSFASA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@]1([NH3+])CCN([C@H]2C[C@@H]3C[C@@H]3C2)C1 1246529858 765279914 /nfs/dbraw/zinc/27/99/14/765279914.db2.gz MIOMOTNYMRDVHF-VLEAKVRGSA-N 1 3 180.295 1.208 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 1246588891 765301196 /nfs/dbraw/zinc/30/11/96/765301196.db2.gz BGQRFNRNYXFUIB-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 1246588891 765301201 /nfs/dbraw/zinc/30/12/01/765301201.db2.gz BGQRFNRNYXFUIB-AXFHLTTASA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 1246588892 765303256 /nfs/dbraw/zinc/30/32/56/765303256.db2.gz BGQRFNRNYXFUIB-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 1246588892 765303264 /nfs/dbraw/zinc/30/32/64/765303264.db2.gz BGQRFNRNYXFUIB-HBNTYKKESA-N 1 3 182.311 1.469 10 0 ADAEHO C[C@H]1CC[C@H]([N@H+]2CCC[C@H]2C)CN1 1246770250 765314055 /nfs/dbraw/zinc/31/40/55/765314055.db2.gz OSMBXWSSGHOJEN-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@H]([N@@H+]2CCC[C@H]2C)CN1 1246770250 765314071 /nfs/dbraw/zinc/31/40/71/765314071.db2.gz OSMBXWSSGHOJEN-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@@H]([N@H+]2CCC[C@H]2C)CN1 1246770251 765316199 /nfs/dbraw/zinc/31/61/99/765316199.db2.gz OSMBXWSSGHOJEN-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C)CN1 1246770251 765316212 /nfs/dbraw/zinc/31/62/12/765316212.db2.gz OSMBXWSSGHOJEN-HBNTYKKESA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H]2C)CCN1 1246768679 765316491 /nfs/dbraw/zinc/31/64/91/765316491.db2.gz GEIFMYVVRNYQAS-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2C)CCN1 1246768679 765316499 /nfs/dbraw/zinc/31/64/99/765316499.db2.gz GEIFMYVVRNYQAS-AXFHLTTASA-N 1 3 182.311 1.611 10 0 ADAEHO