smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)C[NH2+][C@H]1C=CCC1 1683348 697617429 /nfs/dbraw/zinc/61/74/29/697617429.db2.gz WMEYCCDJDBRVNN-NSHDSACASA-N 1 0 167.296 2.731 20 0 AFADRO CCCCC[C@H](C)[NH2+]CCC 20084277 697618448 /nfs/dbraw/zinc/61/84/48/697618448.db2.gz NRHFCVZHOXLLNL-JTQLQIEISA-N 1 0 157.301 2.955 20 0 AFADRO CCCC[NH2+]CCOC(C)(C)CC 53568645 697621557 /nfs/dbraw/zinc/62/15/57/697621557.db2.gz SQDFUXJZBXWIJS-UHFFFAOYSA-N 1 0 187.327 2.581 20 0 AFADRO CC(C)(C)CC[NH2+]CCOC1CCC1 53589852 697621610 /nfs/dbraw/zinc/62/16/10/697621610.db2.gz SYZKBLMCNJXIMN-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO CC(C)CCC[NH2+]CCOC1CCC1 53589848 697622017 /nfs/dbraw/zinc/62/20/17/697622017.db2.gz BOQDEZOGJWCLQZ-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO C[C@H](CC(C)(C)C)[NH2+]C1CC1 84328894 697628154 /nfs/dbraw/zinc/62/81/54/697628154.db2.gz AURGNLAMSAGBDW-MRVPVSSYSA-N 1 0 155.285 2.563 20 0 AFADRO CC(C)(C)[C@@H]([NH2+]C1CC1)C1CC1 84331342 697628592 /nfs/dbraw/zinc/62/85/92/697628592.db2.gz IBXRWNTUWKHNPF-JTQLQIEISA-N 1 0 167.296 2.563 20 0 AFADRO CC(C)(C)[C@H]([NH2+]C1CC1)C1CC1 84331341 697628621 /nfs/dbraw/zinc/62/86/21/697628621.db2.gz IBXRWNTUWKHNPF-SNVBAGLBSA-N 1 0 167.296 2.563 20 0 AFADRO C[C@@H](CC(C)(C)C)[NH2+]C1CC1 84328893 697628625 /nfs/dbraw/zinc/62/86/25/697628625.db2.gz AURGNLAMSAGBDW-QMMMGPOBSA-N 1 0 155.285 2.563 20 0 AFADRO CC[N@H+](CCC(C)C)C(C)C 140156423 697648638 /nfs/dbraw/zinc/64/86/38/697648638.db2.gz BHKFIZNVZTVZOP-UHFFFAOYSA-N 1 0 157.301 2.763 20 0 AFADRO CSC(C)(C)C[NH2+][C@@H](C)C(C)C 157095642 697656926 /nfs/dbraw/zinc/65/69/26/697656926.db2.gz HVYISXXLIHNSKN-VIFPVBQESA-N 1 0 189.368 2.762 20 0 AFADRO CCC(CC)[NH2+]CC(C)(C)SC 157101004 697657197 /nfs/dbraw/zinc/65/71/97/697657197.db2.gz LBFDEAHLYKDLQQ-UHFFFAOYSA-N 1 0 189.368 2.906 20 0 AFADRO CCC[C@@H](C)[NH2+]CC(C)(C)SC 157096164 697657318 /nfs/dbraw/zinc/65/73/18/697657318.db2.gz XFGFVNCQBKNRNT-SECBINFHSA-N 1 0 189.368 2.906 20 0 AFADRO CCCC(C)(C)[NH2+]C[C@H]1CCCOC1 157525128 697657879 /nfs/dbraw/zinc/65/78/79/697657879.db2.gz VXYKRKWLHLWOMS-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CCCC(C)(C)[NH2+]C[C@@H]1CCCOC1 157524978 697657987 /nfs/dbraw/zinc/65/79/87/697657987.db2.gz VXYKRKWLHLWOMS-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCC(C)(C)[NH2+]Cc1ccc(C)nc1 158306675 697658911 /nfs/dbraw/zinc/65/89/11/697658911.db2.gz OIMJDNCBSYVPKJ-UHFFFAOYSA-N 1 0 192.306 2.668 20 0 AFADRO CCCCCC[NH2+]C1CC(OCC)C1 162774721 697667494 /nfs/dbraw/zinc/66/74/94/697667494.db2.gz FRYQOFAPSZKLTA-UHFFFAOYSA-N 1 0 199.338 2.724 20 0 AFADRO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC1 162225641 697667540 /nfs/dbraw/zinc/66/75/40/697667540.db2.gz DNBVAOQNIHSIPB-VIFPVBQESA-N 1 0 193.265 2.509 20 0 AFADRO C[C@H](Cc1cccc(F)c1)[NH2+]C1CC1 162225758 697667835 /nfs/dbraw/zinc/66/78/35/697667835.db2.gz DNBVAOQNIHSIPB-SECBINFHSA-N 1 0 193.265 2.509 20 0 AFADRO CC(C)CC1CC[NH+](CCF)CC1 165509988 697670574 /nfs/dbraw/zinc/67/05/74/697670574.db2.gz SMVAGYFJBHTRQP-UHFFFAOYSA-N 1 0 187.302 2.714 20 0 AFADRO CCCCCC[NH2+]C[C@H]1C[C@H]1C 166788938 697673803 /nfs/dbraw/zinc/67/38/03/697673803.db2.gz PPZSMRVEGUWQRO-GHMZBOCLSA-N 1 0 169.312 2.812 20 0 AFADRO CCCCCC[NH2+]C[C@@H]1C[C@@H]1C 166788579 697674010 /nfs/dbraw/zinc/67/40/10/697674010.db2.gz PPZSMRVEGUWQRO-QWRGUYRKSA-N 1 0 169.312 2.812 20 0 AFADRO CCCCCC[NH2+]C[C@H]1C[C@@H]1C 166788692 697674023 /nfs/dbraw/zinc/67/40/23/697674023.db2.gz PPZSMRVEGUWQRO-WDEREUQCSA-N 1 0 169.312 2.812 20 0 AFADRO CCCCCC[NH2+]C[C@@H]1C[C@H]1C 166788823 697674132 /nfs/dbraw/zinc/67/41/32/697674132.db2.gz PPZSMRVEGUWQRO-MNOVXSKESA-N 1 0 169.312 2.812 20 0 AFADRO CO[C@H](C)C[NH2+]C1CCCCCCC1 166982291 697674820 /nfs/dbraw/zinc/67/48/20/697674820.db2.gz PDBSRKMMARXAER-LLVKDONJSA-N 1 0 199.338 2.724 20 0 AFADRO CC(C)[N@@H+]1CCC2(CCCC2)C1 167015519 697674963 /nfs/dbraw/zinc/67/49/63/697674963.db2.gz RYYDWQMFBCFUIA-UHFFFAOYSA-N 1 0 167.296 2.661 20 0 AFADRO CCCCC[C@@H](C)[NH2+]C[C@@H](C)OC 167030217 697675269 /nfs/dbraw/zinc/67/52/69/697675269.db2.gz ITPYTVKLSSWDDO-GHMZBOCLSA-N 1 0 187.327 2.580 20 0 AFADRO CCCCC[C@H](C)[NH2+]C[C@@H](C)OC 167030330 697675315 /nfs/dbraw/zinc/67/53/15/697675315.db2.gz ITPYTVKLSSWDDO-WDEREUQCSA-N 1 0 187.327 2.580 20 0 AFADRO CCCCC[C@H](C)[NH2+]C[C@H](C)OC 167030527 697675484 /nfs/dbraw/zinc/67/54/84/697675484.db2.gz ITPYTVKLSSWDDO-QWRGUYRKSA-N 1 0 187.327 2.580 20 0 AFADRO CCCCC[C@@H](C)[NH2+]C[C@H](C)OC 167030426 697675661 /nfs/dbraw/zinc/67/56/61/697675661.db2.gz ITPYTVKLSSWDDO-MNOVXSKESA-N 1 0 187.327 2.580 20 0 AFADRO CC(C)[N@H+](C)CCc1ccccc1F 199973764 697681156 /nfs/dbraw/zinc/68/11/56/697681156.db2.gz YJSWNZGGSALLMB-UHFFFAOYSA-N 1 0 195.281 2.708 20 0 AFADRO CC(C)C[N@@H+]1CCCC2(CC2)C1 200866663 697681556 /nfs/dbraw/zinc/68/15/56/697681556.db2.gz QCAYTTGTJNKVQI-UHFFFAOYSA-N 1 0 167.296 2.518 20 0 AFADRO Cc1ccc(C[NH+]2CCC(C)CC2)o1 200659275 697681688 /nfs/dbraw/zinc/68/16/88/697681688.db2.gz WEURPUFKJLMGJY-UHFFFAOYSA-N 1 0 193.290 2.820 20 0 AFADRO CCCCC[C@@H](C)[NH2+]Cc1ccno1 219172573 697685758 /nfs/dbraw/zinc/68/57/58/697685758.db2.gz MCSOFJHNVUZGQI-SNVBAGLBSA-N 1 0 196.294 2.733 20 0 AFADRO CCCCC[C@H](C)[NH2+]Cc1ccno1 219172635 697685766 /nfs/dbraw/zinc/68/57/66/697685766.db2.gz MCSOFJHNVUZGQI-JTQLQIEISA-N 1 0 196.294 2.733 20 0 AFADRO Cl/C=C\C[NH2+]Cc1ccccc1 223915693 697687759 /nfs/dbraw/zinc/68/77/59/697687759.db2.gz LBIPIFQGIIRCQG-DAXSKMNVSA-N 1 0 181.666 2.529 20 0 AFADRO C1CC(CC[NH2+]C[C@@H]2CCSC2)C1 224469036 697688538 /nfs/dbraw/zinc/68/85/38/697688538.db2.gz SPOSUMYPFSZGRI-NSHDSACASA-N 1 0 199.363 2.519 20 0 AFADRO C1CC(CC[NH2+]C[C@H]2CCSC2)C1 224469087 697688573 /nfs/dbraw/zinc/68/85/73/697688573.db2.gz SPOSUMYPFSZGRI-LLVKDONJSA-N 1 0 199.363 2.519 20 0 AFADRO CCCCCC[NH2+]CC1(C)CC1 226372577 697692237 /nfs/dbraw/zinc/69/22/37/697692237.db2.gz YMFSVKWHQOURKY-UHFFFAOYSA-N 1 0 169.312 2.956 20 0 AFADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 228318274 697698903 /nfs/dbraw/zinc/69/89/03/697698903.db2.gz RRPDOHMZHAQMDB-OJKCRXNLSA-N 1 0 187.714 2.907 20 0 AFADRO C[C@@H]1C[C@H]([NH2+]CCC2CCC2)CS1 229077974 697700291 /nfs/dbraw/zinc/70/02/91/697700291.db2.gz TVSKBTACJSYKGV-KOLCDFICSA-N 1 0 199.363 2.660 20 0 AFADRO Cc1c[nH+]ccc1NCCC1CCC1 229120705 697700466 /nfs/dbraw/zinc/70/04/66/697700466.db2.gz WKPIUEJYMDLKCH-UHFFFAOYSA-N 1 0 190.290 2.992 20 0 AFADRO C[C@H]1C[C@@H]([NH2+]CCC2CCC2)CS1 229077997 697700534 /nfs/dbraw/zinc/70/05/34/697700534.db2.gz TVSKBTACJSYKGV-GXSJLCMTSA-N 1 0 199.363 2.660 20 0 AFADRO CCCC[NH2+]CCC1CCC1 229081737 697700698 /nfs/dbraw/zinc/70/06/98/697700698.db2.gz ZRQKZEVDXCHSDZ-UHFFFAOYSA-N 1 0 155.285 2.566 20 0 AFADRO C[C@@H]1C[C@@H]([NH2+]CCC2CCC2)CS1 229077989 697700723 /nfs/dbraw/zinc/70/07/23/697700723.db2.gz TVSKBTACJSYKGV-MWLCHTKSSA-N 1 0 199.363 2.660 20 0 AFADRO Cc1cccc(NCCC2CCC2)[nH+]1 229120749 697700772 /nfs/dbraw/zinc/70/07/72/697700772.db2.gz QMNGRRNVLQUCKP-UHFFFAOYSA-N 1 0 190.290 2.992 20 0 AFADRO C[C@H]1C[C@H]([NH2+]CCC2CCC2)CS1 229077985 697700789 /nfs/dbraw/zinc/70/07/89/697700789.db2.gz TVSKBTACJSYKGV-ONGXEEELSA-N 1 0 199.363 2.660 20 0 AFADRO C[C@@H]([NH2+]C/C=C/Cl)c1ccco1 230630503 697703105 /nfs/dbraw/zinc/70/31/05/697703105.db2.gz JEBXJGNMVVASQM-RYEJSQLPSA-N 1 0 185.654 2.683 20 0 AFADRO CC[C@H](C)[NH2+]Cc1ccccc1NC 233990695 697706088 /nfs/dbraw/zinc/70/60/88/697706088.db2.gz NJLSVBVGWMTURG-JTQLQIEISA-N 1 0 192.306 2.616 20 0 AFADRO C[C@@H]1CCNc2[nH+]c(C(C)(C)C)cn21 235290158 697707522 /nfs/dbraw/zinc/70/75/22/697707522.db2.gz BPSPBLPMVYEMND-MRVPVSSYSA-N 1 0 193.294 2.557 20 0 AFADRO CC1(C)CCC[N@H+](C/C=C/Cl)C1 306148954 697721791 /nfs/dbraw/zinc/72/17/91/697721791.db2.gz CUWHXWGYDPRLBY-GQCTYLIASA-N 1 0 187.714 2.861 20 0 AFADRO FCC[N@@H+]1CCC[C@@H]1c1ccsc1 306341413 697725513 /nfs/dbraw/zinc/72/55/13/697725513.db2.gz LYOKDARICQDRPX-SNVBAGLBSA-N 1 0 199.294 2.855 20 0 AFADRO C[C@@H]1CCC[N@H+](C/C=C/Cl)[C@@H]1C 306360230 697726285 /nfs/dbraw/zinc/72/62/85/697726285.db2.gz MBQYALAVDCEZPV-NEPGKVPFSA-N 1 0 187.714 2.859 20 0 AFADRO C[C@H]1[C@H](C)CCC[N@@H+]1C/C=C/Cl 306360229 697726443 /nfs/dbraw/zinc/72/64/43/697726443.db2.gz MBQYALAVDCEZPV-HANDCERCSA-N 1 0 187.714 2.859 20 0 AFADRO C[C@H]1[C@H](C)CC[N@@H+]1C[Si](C)(C)C 306441335 697727327 /nfs/dbraw/zinc/72/73/27/697727327.db2.gz OMXMKRPVWPWPDN-ZJUUUORDSA-N 1 0 185.387 2.594 20 0 AFADRO C[C@@H]1CC[N@H+](C[Si](C)(C)C)[C@@H]1C 306441332 697727371 /nfs/dbraw/zinc/72/73/71/697727371.db2.gz OMXMKRPVWPWPDN-NXEZZACHSA-N 1 0 185.387 2.594 20 0 AFADRO C[C@H]1CC[N@H+](C[Si](C)(C)C)[C@H]1C 306441333 697727414 /nfs/dbraw/zinc/72/74/14/697727414.db2.gz OMXMKRPVWPWPDN-UWVGGRQHSA-N 1 0 185.387 2.594 20 0 AFADRO C[C@H]1CC[N@H+](C[Si](C)(C)C)[C@@H]1C 306441334 697727418 /nfs/dbraw/zinc/72/74/18/697727418.db2.gz OMXMKRPVWPWPDN-VHSXEESVSA-N 1 0 185.387 2.594 20 0 AFADRO C[C@@H]1C[C@@H](C)C[NH+](C[Si](C)(C)C)C1 306451800 697727865 /nfs/dbraw/zinc/72/78/65/697727865.db2.gz WNAIMTDFZQKRDH-GHMZBOCLSA-N 1 0 199.414 2.842 20 0 AFADRO C[C@H]1C[C@H](C)C[NH+](C[Si](C)(C)C)C1 306451804 697727870 /nfs/dbraw/zinc/72/78/70/697727870.db2.gz WNAIMTDFZQKRDH-QWRGUYRKSA-N 1 0 199.414 2.842 20 0 AFADRO C[C@H]1C[C@@H](C)C[N@H+](C[Si](C)(C)C)C1 306451802 697727891 /nfs/dbraw/zinc/72/78/91/697727891.db2.gz WNAIMTDFZQKRDH-PHIMTYICSA-N 1 0 199.414 2.842 20 0 AFADRO CCC1CC[NH+](C/C=C/Cl)CC1 306494814 697729248 /nfs/dbraw/zinc/72/92/48/697729248.db2.gz BGLSVCYZUPRWNX-ZZXKWVIFSA-N 1 0 187.714 2.861 20 0 AFADRO FC1(F)CC[NH+](CC2CCC2)CC1 306765712 697733095 /nfs/dbraw/zinc/73/30/95/697733095.db2.gz VYWYXSRGMJUWKO-UHFFFAOYSA-N 1 0 189.249 2.518 20 0 AFADRO C[C@@H]1CC[N@H+](CCc2cccs2)C1 307266282 697739843 /nfs/dbraw/zinc/73/98/43/697739843.db2.gz ZUIIJSGYMXOHIX-SNVBAGLBSA-N 1 0 195.331 2.632 20 0 AFADRO C[C@H]1CC[N@H+](CCc2cccs2)C1 307266281 697740017 /nfs/dbraw/zinc/74/00/17/697740017.db2.gz ZUIIJSGYMXOHIX-JTQLQIEISA-N 1 0 195.331 2.632 20 0 AFADRO C[C@H]1C[C@@H]1C[NH2+]C12CCC(CC1)C2 307325734 697742753 /nfs/dbraw/zinc/74/27/53/697742753.db2.gz LUURQXCYFVOOLX-UZEXVOJHSA-N 1 0 179.307 2.565 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]C12CCC(CC1)C2 307325735 697742790 /nfs/dbraw/zinc/74/27/90/697742790.db2.gz LUURQXCYFVOOLX-VOBJUBJWSA-N 1 0 179.307 2.565 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH2+]C12CCC(CC1)C2 307325733 697742876 /nfs/dbraw/zinc/74/28/76/697742876.db2.gz LUURQXCYFVOOLX-QTAHKJALSA-N 1 0 179.307 2.565 20 0 AFADRO C[C@@H]1C[C@H]1C[NH2+]C12CCC(CC1)C2 307325736 697742931 /nfs/dbraw/zinc/74/29/31/697742931.db2.gz LUURQXCYFVOOLX-ZYGVAYEYSA-N 1 0 179.307 2.565 20 0 AFADRO C[C@H]1C[C@@H]1C[NH+]1CCCCCCC1 307533012 697746396 /nfs/dbraw/zinc/74/63/96/697746396.db2.gz MNPYRTBUFFOALQ-NWDGAFQWSA-N 1 0 181.323 2.909 20 0 AFADRO C[C@H]1C[C@H]1C[NH+]1CCCCCCC1 307533016 697746516 /nfs/dbraw/zinc/74/65/16/697746516.db2.gz MNPYRTBUFFOALQ-RYUDHWBXSA-N 1 0 181.323 2.909 20 0 AFADRO C[C@@H]1C[C@H]1C[NH+]1CCCCCCC1 307533005 697746532 /nfs/dbraw/zinc/74/65/32/697746532.db2.gz MNPYRTBUFFOALQ-NEPJUHHUSA-N 1 0 181.323 2.909 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH+]1CCCCCCC1 307533021 697746621 /nfs/dbraw/zinc/74/66/21/697746621.db2.gz MNPYRTBUFFOALQ-VXGBXAGGSA-N 1 0 181.323 2.909 20 0 AFADRO CC1(C)CC[N@H+](Cc2cccs2)C1 307582868 697747578 /nfs/dbraw/zinc/74/75/78/697747578.db2.gz WMIQGJMDIQTWCC-UHFFFAOYSA-N 1 0 195.331 2.980 20 0 AFADRO CC(C)[N@H+](C/C=C/Cl)C1CC1 307666145 697748235 /nfs/dbraw/zinc/74/82/35/697748235.db2.gz DBLKEMHPSZMMGN-ZZXKWVIFSA-N 1 0 173.687 2.612 20 0 AFADRO CCC(C)(C)[N@H+](C)C/C=C/Cl 307668510 697748626 /nfs/dbraw/zinc/74/86/26/697748626.db2.gz KDJMZRQIRBJUOS-VOTSOKGWSA-N 1 0 175.703 2.859 20 0 AFADRO CC[N@H+](C/C=C/Cl)C1CCC1 307683984 697749754 /nfs/dbraw/zinc/74/97/54/697749754.db2.gz ICMHMQFRPHQNFC-QPJJXVBHSA-N 1 0 173.687 2.613 20 0 AFADRO CC[N@H+](CC1(C)CC1)C(C)C 307684105 697749786 /nfs/dbraw/zinc/74/97/86/697749786.db2.gz IPEZMVHOCKYNKW-UHFFFAOYSA-N 1 0 155.285 2.517 20 0 AFADRO C[C@@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1 307893250 697752239 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SYNIJJMHNCTJAP-VIFPVBQESA-N 1 0 167.252 2.860 20 0 AFADRO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C 43649363 343258171 /nfs/dbraw/zinc/25/81/71/343258171.db2.gz WYINHDVEMHHJFG-GWCFXTLKSA-N 1 0 189.302 2.920 20 0 AFADRO COCCCC[NH2+]CC1CCCCC1 44349842 343263991 /nfs/dbraw/zinc/26/39/91/343263991.db2.gz IZGOYHYAAZKWDJ-UHFFFAOYSA-N 1 0 199.338 2.583 20 0 AFADRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)no1 44692263 343267874 /nfs/dbraw/zinc/26/78/74/343267874.db2.gz NJQPCZCNPBHXIH-VIFPVBQESA-N 1 0 196.294 2.507 20 0 AFADRO Cc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 44371304 343264358 /nfs/dbraw/zinc/26/43/58/343264358.db2.gz ZIXXZWXSTZZCFS-GFCCVEGCSA-N 1 0 189.302 2.883 20 0 AFADRO Cc1ccsc1C[NH2+][C@H]1CC1(C)C 44371228 343264362 /nfs/dbraw/zinc/26/43/62/343264362.db2.gz SVLVZFZBBIXKDA-JTQLQIEISA-N 1 0 195.331 2.945 20 0 AFADRO CC1(C)C[C@H]1[NH2+]Cc1ccccc1F 44370714 343264363 /nfs/dbraw/zinc/26/43/63/343264363.db2.gz JUSQQHVSMCLPSR-LLVKDONJSA-N 1 0 193.265 2.714 20 0 AFADRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccccn1 45115491 343271358 /nfs/dbraw/zinc/27/13/58/343271358.db2.gz ZHIFOZXOEFWABS-ONGXEEELSA-N 1 0 190.290 2.531 20 0 AFADRO c1csc(C[NH2+]CCC2CC2)c1 49730515 343276580 /nfs/dbraw/zinc/27/65/80/343276580.db2.gz BZCTWMMNNLVZGF-UHFFFAOYSA-N 1 0 181.304 2.638 20 0 AFADRO CC1([NH2+]C[C@@H]2CCC=CO2)CCCC1 50269525 343280713 /nfs/dbraw/zinc/28/07/13/343280713.db2.gz FIXGVVWRXHAONO-NSHDSACASA-N 1 0 195.306 2.601 20 0 AFADRO CC1(C)[NH2+]CC[C@@H]1c1cccc(F)c1 51954816 343296947 /nfs/dbraw/zinc/29/69/47/343296947.db2.gz HIPUXUJIBUVACT-LLVKDONJSA-N 1 0 193.265 2.681 20 0 in-vitro AFADRO CC1(C)[NH2+]CC[C@H]1c1cccc(F)c1 51954814 343296949 /nfs/dbraw/zinc/29/69/49/343296949.db2.gz HIPUXUJIBUVACT-NSHDSACASA-N 1 0 193.265 2.681 20 0 in-vitro AFADRO CCCC[C@H](C)[NH2+]CC1CCOCC1 52172678 343301347 /nfs/dbraw/zinc/30/13/47/343301347.db2.gz CTILOBQAJVYWHJ-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@@H]([NH3+])c1cc(F)ccc1C 52138889 343301461 /nfs/dbraw/zinc/30/14/61/343301461.db2.gz DUJKFDPOORWIHR-LLVKDONJSA-N 1 0 181.254 2.934 20 0 AFADRO Cc1ccc(F)c(C[NH2+]CC(C)C)c1 52982903 343311970 /nfs/dbraw/zinc/31/19/70/343311970.db2.gz OJTWTBZFQPCRSV-UHFFFAOYSA-N 1 0 195.281 2.880 20 0 AFADRO COC[C@H](C)[NH2+]CCC1CCCCC1 53195477 343313287 /nfs/dbraw/zinc/31/32/87/343313287.db2.gz HNXLESKJBLOBKM-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CC[NH2+][C@H](C)c1cccc(C)c1C 53329814 343314296 /nfs/dbraw/zinc/31/42/96/343314296.db2.gz YHWQCQGNMKAODH-LLVKDONJSA-N 1 0 177.291 2.974 20 0 AFADRO CCC[C@H](C)[NH2+]C[C@H](C)SC 53646690 343314791 /nfs/dbraw/zinc/31/47/91/343314791.db2.gz SEZZJSWEWOLJIN-IUCAKERBSA-N 1 0 175.341 2.516 20 0 AFADRO CC(C)SCC[NH2+]C1CCCC1 53623273 343314802 /nfs/dbraw/zinc/31/48/02/343314802.db2.gz MZSFAMSLVHPEBH-UHFFFAOYSA-N 1 0 187.352 2.660 20 0 AFADRO CCCC[C@@H]([NH3+])c1cccc(OC)c1 53788606 343316632 /nfs/dbraw/zinc/31/66/32/343316632.db2.gz SHDKSGUSORKGEI-GFCCVEGCSA-N 1 0 193.290 2.885 20 0 AFADRO C[NH2+]CC(C)(C)Cc1ccccc1C 54637849 343327460 /nfs/dbraw/zinc/32/74/60/343327460.db2.gz LBYDJNGNPOECQQ-UHFFFAOYSA-N 1 0 191.318 2.783 20 0 AFADRO C[NH2+]CC(C)(C)Cc1cccc(F)c1 54637844 343327473 /nfs/dbraw/zinc/32/74/73/343327473.db2.gz SWCWLPZBMUVRFQ-UHFFFAOYSA-N 1 0 195.281 2.614 20 0 AFADRO CC[C@H]([NH3+])c1cc(F)ccc1C 55345982 343336050 /nfs/dbraw/zinc/33/60/50/343336050.db2.gz DOQFVLMRSNRSIZ-JTQLQIEISA-N 1 0 167.227 2.544 20 0 AFADRO Cc1ccc(F)cc1[C@H]([NH3+])C(C)C 55345998 343336125 /nfs/dbraw/zinc/33/61/25/343336125.db2.gz PTISJUUCKRWEEN-LLVKDONJSA-N 1 0 181.254 2.790 20 0 AFADRO Cc1cc([C@@H]2CCC[NH2+]C2)ccc1F 57489084 343337618 /nfs/dbraw/zinc/33/76/18/343337618.db2.gz OBUUFLQPEMEEJU-LLVKDONJSA-N 1 0 193.265 2.601 20 0 AFADRO Cc1cc(F)ccc1[C@@H]([NH3+])C(C)C 55206067 343334853 /nfs/dbraw/zinc/33/48/53/343334853.db2.gz KBECHPXHNDRHEH-NSHDSACASA-N 1 0 181.254 2.790 20 0 AFADRO Cc1cc(F)ccc1[C@@H]([NH3+])C1CC1 55222635 343334883 /nfs/dbraw/zinc/33/48/83/343334883.db2.gz LQMWRIYSAFGHPY-NSHDSACASA-N 1 0 179.238 2.544 20 0 AFADRO Cc1cc([C@H]2CCC[NH2+]C2)ccc1F 57489087 343337727 /nfs/dbraw/zinc/33/77/27/343337727.db2.gz OBUUFLQPEMEEJU-NSHDSACASA-N 1 0 193.265 2.601 20 0 AFADRO C1CCC(CC[NH+]2CCCC2)C1 59567114 343345865 /nfs/dbraw/zinc/34/58/65/343345865.db2.gz VVLQVGOGWXVODB-UHFFFAOYSA-N 1 0 167.296 2.663 20 0 AFADRO CC[NH2+][C@H]1CCCC[C@@H]1C(C)C 60715400 343354758 /nfs/dbraw/zinc/35/47/58/343354758.db2.gz FTEMQDOMSDOLDA-MNOVXSKESA-N 1 0 169.312 2.811 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccoc1 62103758 343371207 /nfs/dbraw/zinc/37/12/07/343371207.db2.gz KLAGBGHVPMZXSN-NXEZZACHSA-N 1 0 181.279 2.804 20 0 AFADRO CC[C@H](C)C[C@@H](C[NH3+])c1ccccn1 68590972 343412216 /nfs/dbraw/zinc/41/22/16/343412216.db2.gz GVOWGSAGLIAVPV-QWRGUYRKSA-N 1 0 192.306 2.560 20 0 AFADRO CC(C)c1cccc([C@H](C)[NH3+])c1 68890678 343412775 /nfs/dbraw/zinc/41/27/75/343412775.db2.gz ORMTYHTVUJVAEE-VIFPVBQESA-N 1 0 163.264 2.830 20 0 AFADRO CCCC[C@@H](CC)[NH2+]C[C@H]1CCCO1 68985674 343419739 /nfs/dbraw/zinc/41/97/39/343419739.db2.gz LTHXPKSCGWJQBP-VXGBXAGGSA-N 1 0 199.338 2.724 20 0 AFADRO CC(C)[C@@H]([NH3+])c1c(F)cccc1F 69759004 343439067 /nfs/dbraw/zinc/43/90/67/343439067.db2.gz DLJIDWFDHWTCHX-SNVBAGLBSA-N 1 0 185.217 2.621 20 0 AFADRO C[C@@H]([NH2+]Cc1ccoc1)C1CCCC1 69804280 343443534 /nfs/dbraw/zinc/44/35/34/343443534.db2.gz BQXYXIGEQLWPLW-SNVBAGLBSA-N 1 0 193.290 2.948 20 0 AFADRO Cc1c[nH+]ccc1NCCC(C)C 70046630 343469452 /nfs/dbraw/zinc/46/94/52/343469452.db2.gz JYRLZIHRNMDZEK-UHFFFAOYSA-N 1 0 178.279 2.848 20 0 AFADRO CSCC[NH2+][C@H](C)c1ccc(C)o1 70184606 343477324 /nfs/dbraw/zinc/47/73/24/343477324.db2.gz WUCCHPLNQMQZMO-SECBINFHSA-N 1 0 199.319 2.602 20 0 AFADRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC1 70558307 343490075 /nfs/dbraw/zinc/49/00/75/343490075.db2.gz MLSIPMVVPLSTHV-GXSJLCMTSA-N 1 0 167.296 2.707 20 0 AFADRO CCCCC[NH2+][C@H](C)c1nccs1 70634098 343511255 /nfs/dbraw/zinc/51/12/55/343511255.db2.gz GOMILEKWJUTQJZ-SECBINFHSA-N 1 0 198.335 2.984 20 0 AFADRO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 70747651 343528815 /nfs/dbraw/zinc/52/88/15/343528815.db2.gz XZKCGIGGKXSSRE-AAEUAGOBSA-N 1 0 189.302 2.965 20 0 AFADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)o1 70762516 343529289 /nfs/dbraw/zinc/52/92/89/343529289.db2.gz LNGHFWFTFKBAOI-MWLCHTKSSA-N 1 0 193.290 2.866 20 0 AFADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)o1 70762515 343529295 /nfs/dbraw/zinc/52/92/95/343529295.db2.gz LNGHFWFTFKBAOI-ONGXEEELSA-N 1 0 193.290 2.866 20 0 AFADRO CC(C)C[C@@H]1CCC[C@@H](C)[NH2+]1 70709881 343526457 /nfs/dbraw/zinc/52/64/57/343526457.db2.gz QXLOIHZZKILGER-ZJUUUORDSA-N 1 0 155.285 2.563 20 0 AFADRO CC[C@@](C)(CF)[NH2+]Cc1ccccc1 71372379 343552556 /nfs/dbraw/zinc/55/25/56/343552556.db2.gz LBIWDUYUFMNKKZ-LBPRGKRZSA-N 1 0 195.281 2.914 20 0 AFADRO C[C@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 77295926 343581052 /nfs/dbraw/zinc/58/10/52/343581052.db2.gz DQVCJECBRYDKPZ-KWQFWETISA-N 1 0 195.693 2.663 20 0 AFADRO C[C@H](c1ccccn1)[NH+]1CCCCC1 80855392 343592652 /nfs/dbraw/zinc/59/26/52/343592652.db2.gz VMDLLICQHJQUOR-LLVKDONJSA-N 1 0 190.290 2.629 20 0 AFADRO CC[NH2+][C@@H]1CCCC[C@H]1SCC 81826221 343594200 /nfs/dbraw/zinc/59/42/00/343594200.db2.gz UNMJYLMUYPFRBB-NXEZZACHSA-N 1 0 187.352 2.660 20 0 AFADRO Cc1ccc(C[NH2+]CCC2CC2)cc1 83893759 343627352 /nfs/dbraw/zinc/62/73/52/343627352.db2.gz GPZDIULIAQINLH-UHFFFAOYSA-N 1 0 189.302 2.885 20 0 AFADRO CC[C@@H](Cc1ccccc1)[NH2+]C1CC1 84349519 343634714 /nfs/dbraw/zinc/63/47/14/343634714.db2.gz JNYWJQGIGDTUDA-LBPRGKRZSA-N 1 0 189.302 2.760 20 0 AFADRO CC[C@@H]([NH3+])c1ccc(Cl)c(F)c1 84348147 343634722 /nfs/dbraw/zinc/63/47/22/343634722.db2.gz QNQUBGPYUVRMSB-SECBINFHSA-N 1 0 187.645 2.889 20 0 AFADRO CC1(C)CCC[C@@H]1[NH2+]CC1CC1 86831130 343655322 /nfs/dbraw/zinc/65/53/22/343655322.db2.gz HOJBJOKIRBVRGL-JTQLQIEISA-N 1 0 167.296 2.565 20 0 AFADRO C1CCC2(CC1)CC([NH2+]C1CC1)C2 87439917 343661422 /nfs/dbraw/zinc/66/14/22/343661422.db2.gz QMFWXLLVNKLHNS-UHFFFAOYSA-N 1 0 179.307 2.851 20 0 AFADRO CC(C)[NH2+]Cc1sccc1Cl 87721089 343663301 /nfs/dbraw/zinc/66/33/01/343663301.db2.gz WZXMCENQAAPMFB-UHFFFAOYSA-N 1 0 189.711 2.900 20 0 AFADRO C[C@H]([NH2+]C1CC1)c1cc(F)cc(F)c1 87263335 343659574 /nfs/dbraw/zinc/65/95/74/343659574.db2.gz QRMDARQHODHMRF-ZETCQYMHSA-N 1 0 197.228 2.778 20 0 AFADRO CC[NH+](CC(C)C)CC(C)C 112979484 343756234 /nfs/dbraw/zinc/75/62/34/343756234.db2.gz XQQLJWFNDMEBHP-UHFFFAOYSA-N 1 0 157.301 2.620 20 0 AFADRO CC1(C)CC[C@H]([NH2+]Cc2cc[nH]c2)C1 122400714 343779173 /nfs/dbraw/zinc/77/91/73/343779173.db2.gz RXNJSORQJRGDTN-NSHDSACASA-N 1 0 192.306 2.683 20 0 AFADRO CC1(C)CC[C@@H]([NH2+]Cc2cc[nH]c2)C1 122400953 343779244 /nfs/dbraw/zinc/77/92/44/343779244.db2.gz RXNJSORQJRGDTN-LLVKDONJSA-N 1 0 192.306 2.683 20 0 AFADRO CCCC(C)(C)[NH2+]Cc1ccco1 123192051 343782576 /nfs/dbraw/zinc/78/25/76/343782576.db2.gz ZYEBWFCILVWWLL-UHFFFAOYSA-N 1 0 181.279 2.948 20 0 AFADRO C[N@@H+](CC1CCCCC1)CC1CC1 117079595 343772456 /nfs/dbraw/zinc/77/24/56/343772456.db2.gz NBOOKRQVBUEFPK-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO CC1CC([NH2+][C@@H]2CCC[C@@H](C)C2)C1 128860828 343838584 /nfs/dbraw/zinc/83/85/84/343838584.db2.gz FGBSIDMBYQGXPY-QTAHKJALSA-N 1 0 181.323 2.953 20 0 AFADRO Cc1c[nH+]ccc1N[C@H]1CC[C@H](C)C1 129601559 343853727 /nfs/dbraw/zinc/85/37/27/343853727.db2.gz ZQDWJLSFMIAKNX-ONGXEEELSA-N 1 0 190.290 2.991 20 0 AFADRO Cc1cc(N[C@@H]2CC[C@@H](C)C2)cc[nH+]1 129620856 343854264 /nfs/dbraw/zinc/85/42/64/343854264.db2.gz ROGWPNBGNYXJOX-MWLCHTKSSA-N 1 0 190.290 2.991 20 0 AFADRO Cc1cc(N[C@H]2CC[C@H](C)C2)cc[nH+]1 129620665 343854270 /nfs/dbraw/zinc/85/42/70/343854270.db2.gz ROGWPNBGNYXJOX-ONGXEEELSA-N 1 0 190.290 2.991 20 0 AFADRO CC1CC([NH2+][C@H]2CCC[C@H]2C)C1 130308319 343866358 /nfs/dbraw/zinc/86/63/58/343866358.db2.gz WCVCBRSFGVAZNL-DJRKXVOMSA-N 1 0 167.296 2.563 20 0 AFADRO CC1CC([NH2+][C@@H]2CCC[C@@H]2C)C1 130308860 343866385 /nfs/dbraw/zinc/86/63/85/343866385.db2.gz WCVCBRSFGVAZNL-QONHTCSSSA-N 1 0 167.296 2.563 20 0 AFADRO CC1CC([NH2+][C@@H]2CCC[C@H]2C)C1 130308686 343866393 /nfs/dbraw/zinc/86/63/93/343866393.db2.gz WCVCBRSFGVAZNL-VGRIYTJTSA-N 1 0 167.296 2.563 20 0 AFADRO CCC[NH2+][C@H]1CCc2cc(F)ccc21 131858038 343889721 /nfs/dbraw/zinc/88/97/21/343889721.db2.gz XDPVWDZWLUTMHG-LBPRGKRZSA-N 1 0 193.265 2.813 20 0 AFADRO C(=C/[NH+]1CCCCC1)\c1cccnc1 98179917 166043456 /nfs/dbraw/zinc/04/34/56/166043456.db2.gz SEOFNKJJMALDQG-UXBLZVDNSA-N 1 0 188.274 2.538 20 0 AFADRO C/C(Cl)=C/C[NH2+]Cc1ccccc1 33932966 166055407 /nfs/dbraw/zinc/05/54/07/166055407.db2.gz XYAWCYCYPGFLCA-YFHOEESVSA-N 1 0 195.693 2.919 20 0 AFADRO C1=C(C[NH+]2CCCCC2)CCC1 104832937 166070881 /nfs/dbraw/zinc/07/08/81/166070881.db2.gz ZDVBYNSRAAXJQL-UHFFFAOYSA-N 1 0 165.280 2.583 20 0 AFADRO C1=C(C[NH2+][C@@H]2CCSC2)CCCC1 306596279 166070913 /nfs/dbraw/zinc/07/09/13/166070913.db2.gz MHARSBAAEWYLHG-LLVKDONJSA-N 1 0 197.347 2.582 20 0 AFADRO C1=C(C[NH2+][C@H]2CCSC2)CCCC1 306596281 166071582 /nfs/dbraw/zinc/07/15/82/166071582.db2.gz MHARSBAAEWYLHG-NSHDSACASA-N 1 0 197.347 2.582 20 0 AFADRO C1=C(C[NH2+]Cc2ccccc2)CCC1 75577977 166071814 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181.254 2.805 20 0 AFADRO CC[NH2+][C@H](C)c1ccc(CC)cc1 19428547 167295909 /nfs/dbraw/zinc/29/59/09/167295909.db2.gz CDZVQPZMEZYACZ-SNVBAGLBSA-N 1 0 177.291 2.920 20 0 AFADRO CC[NH2+][C@H](C)c1ccc(C)s1 19504683 167295918 /nfs/dbraw/zinc/29/59/18/167295918.db2.gz XHDCLOFNSSQEGD-MRVPVSSYSA-N 1 0 169.293 2.727 20 0 AFADRO CC[NH2+][C@H](C)COCC1CCCCC1 52151503 167296099 /nfs/dbraw/zinc/29/60/99/167296099.db2.gz BGQGNBXWSGZPRW-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[NH2+][C@H](C)c1ccc(OC)c(F)c1 19429568 167296165 /nfs/dbraw/zinc/29/61/65/167296165.db2.gz KEDNDGBEKQCYNO-MRVPVSSYSA-N 1 0 197.253 2.505 20 0 AFADRO CC[NH2+][C@H](C)c1ccc(CC)o1 51727730 167296187 /nfs/dbraw/zinc/29/61/87/167296187.db2.gz UPVGFKFNNXVZQC-MRVPVSSYSA-N 1 0 167.252 2.513 20 0 AFADRO CC[NH2+][C@H](C)c1cc(F)ccc1OC 34842331 167296230 /nfs/dbraw/zinc/29/62/30/167296230.db2.gz OADBLJMZRBWVMZ-MRVPVSSYSA-N 1 0 197.253 2.505 20 0 AFADRO CC[NH2+][C@H](C)c1cc(C)ccc1OC 19483928 167296236 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0 155.285 2.563 20 0 AFADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccn1C 50596193 167626530 /nfs/dbraw/zinc/62/65/30/167626530.db2.gz GPVOETYHAXFEEI-WDEREUQCSA-N 1 0 194.322 2.549 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccn1C 50596196 167628660 /nfs/dbraw/zinc/62/86/60/167628660.db2.gz GPVOETYHAXFEEI-QWRGUYRKSA-N 1 0 194.322 2.549 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccn1 20091718 167628847 /nfs/dbraw/zinc/62/88/47/167628847.db2.gz RFAXNAZCWDGXML-QWRGUYRKSA-N 1 0 192.306 2.606 20 0 AFADRO CC[C@H](C)c1ccc(C[NH3+])cc1 41167796 167633731 /nfs/dbraw/zinc/63/37/31/167633731.db2.gz XFIMXGNMAFZZRU-VIFPVBQESA-N 1 0 163.264 2.659 20 0 AFADRO CC[C@H]([NH3+])c1ccc(Cl)c(F)c1 84348143 167657818 /nfs/dbraw/zinc/65/78/18/167657818.db2.gz QNQUBGPYUVRMSB-VIFPVBQESA-N 1 0 187.645 2.889 20 0 AFADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)C(C)C 50269553 167662615 /nfs/dbraw/zinc/66/26/15/167662615.db2.gz ODVIAPFGXOEAAO-NEPJUHHUSA-N 1 0 197.322 2.703 20 0 AFADRO CC[C@H]([NH2+]C[C@H]1CCCCO1)C(C)C 42320451 167663222 /nfs/dbraw/zinc/66/32/22/167663222.db2.gz FHZHMKSTINNWFE-NEPJUHHUSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H]1CC[C@H]1[NH2+]C1CC(C)(F)C1 336215498 167687817 /nfs/dbraw/zinc/68/78/17/167687817.db2.gz SBSHRPVXGFOGMS-QPBDYMMBSA-N 1 0 185.286 2.655 20 0 AFADRO CC[C@H]1CC[C@@H]1[NH2+]C1CC(C)C1 306536892 167689713 /nfs/dbraw/zinc/68/97/13/167689713.db2.gz HZIIXGVVWAINEI-YIYTYNFBSA-N 1 0 167.296 2.563 20 0 AFADRO CC[C@](C)([NH3+])c1ccc(Cl)cc1 37652473 167706712 /nfs/dbraw/zinc/70/67/12/167706712.db2.gz VTPBWUWJCCYDAU-JTQLQIEISA-N 1 0 183.682 2.924 20 0 AFADRO CC[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 37376508 167714189 /nfs/dbraw/zinc/71/41/89/167714189.db2.gz KJGSWJCGDJBBJR-KOLCDFICSA-N 1 0 169.312 2.940 20 0 AFADRO CCc1ccc([C@H]([NH3+])CC)cc1 15014360 167742308 /nfs/dbraw/zinc/74/23/08/167742308.db2.gz WMSACDMMOFHQIS-LLVKDONJSA-N 1 0 163.264 2.659 20 0 AFADRO CCc1ccccc1[C@@H]1CCC[NH2+]1 72201466 167755960 /nfs/dbraw/zinc/75/59/60/167755960.db2.gz OWKZAKNNZQZKDM-LBPRGKRZSA-N 1 0 175.275 2.674 20 0 AFADRO C[N@H+](Cc1nccs1)C1CCCC1 335817234 167892088 /nfs/dbraw/zinc/89/20/88/167892088.db2.gz PQUKJCISVITDHB-UHFFFAOYSA-N 1 0 196.319 2.518 20 0 AFADRO C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 48770193 168041546 /nfs/dbraw/zinc/04/15/46/168041546.db2.gz JNZXFGOAOGHIRV-CHWSQXEVSA-N 1 0 189.302 2.617 20 0 in-vitro AFADRO C[NH2+]Cc1nc(C2CCCC2)cs1 3711104 168023445 /nfs/dbraw/zinc/02/34/45/168023445.db2.gz QCHBDNWLJJDDHB-UHFFFAOYSA-N 1 0 196.319 2.520 20 0 AFADRO C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 11631405 168030936 /nfs/dbraw/zinc/03/09/36/168030936.db2.gz FGDCHRPBLHOPJC-NSHDSACASA-N 1 0 191.318 2.962 20 0 AFADRO C[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 44460168 168031554 /nfs/dbraw/zinc/03/15/54/168031554.db2.gz KYFBJODZLRBIAJ-DDNJXNFVSA-N 1 0 193.334 2.667 20 0 AFADRO C[NH2+][C@@H](C)c1cccc2cnccc12 20418133 168035016 /nfs/dbraw/zinc/03/50/16/168035016.db2.gz MPUORFSEIOPIHD-VIFPVBQESA-N 1 0 186.258 2.515 20 0 AFADRO C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 82504793 168038763 /nfs/dbraw/zinc/03/87/63/168038763.db2.gz PCSKBZFFRDBXDH-SNVBAGLBSA-N 1 0 191.274 2.508 20 0 AFADRO C[NH2+][C@@H](c1ccccc1)C(C)(C)C 20285786 168039825 /nfs/dbraw/zinc/03/98/25/168039825.db2.gz FQKIRADYUBMZIO-NSHDSACASA-N 1 0 177.291 2.993 20 0 AFADRO C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 48770197 168040594 /nfs/dbraw/zinc/04/05/94/168040594.db2.gz JNZXFGOAOGHIRV-QWHCGFSZSA-N 1 0 189.302 2.617 20 0 in-vitro AFADRO C[NH2+][C@H](C)CC(C)(C)c1ccccc1 11631406 168048631 /nfs/dbraw/zinc/04/86/31/168048631.db2.gz FGDCHRPBLHOPJC-LLVKDONJSA-N 1 0 191.318 2.962 20 0 AFADRO C[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 44460169 168048708 /nfs/dbraw/zinc/04/87/08/168048708.db2.gz KYFBJODZLRBIAJ-GLFGPFBSSA-N 1 0 193.334 2.667 20 0 AFADRO C[NH2+][C@H](C)c1cccc2cnccc12 20418136 168051706 /nfs/dbraw/zinc/05/17/06/168051706.db2.gz MPUORFSEIOPIHD-SECBINFHSA-N 1 0 186.258 2.515 20 0 AFADRO C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 82504789 168055091 /nfs/dbraw/zinc/05/50/91/168055091.db2.gz PCSKBZFFRDBXDH-JTQLQIEISA-N 1 0 191.274 2.508 20 0 AFADRO C[NH2+][C@H](c1ccccc1)C(C)(C)C 20285790 168055284 /nfs/dbraw/zinc/05/52/84/168055284.db2.gz FQKIRADYUBMZIO-LLVKDONJSA-N 1 0 177.291 2.993 20 0 AFADRO C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 48770195 168058069 /nfs/dbraw/zinc/05/80/69/168058069.db2.gz JNZXFGOAOGHIRV-OLZOCXBDSA-N 1 0 189.302 2.617 20 0 in-vitro AFADRO C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 48770199 168058083 /nfs/dbraw/zinc/05/80/83/168058083.db2.gz JNZXFGOAOGHIRV-STQMWFEESA-N 1 0 189.302 2.617 20 0 in-vitro AFADRO COC1(C[NH2+]C(C)C)CCC(C)CC1 50482587 168143590 /nfs/dbraw/zinc/14/35/90/168143590.db2.gz QTSLSVFCJDOZNR-UHFFFAOYSA-N 1 0 199.338 2.580 20 0 AFADRO COC1(C[NH3+])CCC(C(C)(C)C)CC1 50482365 168144063 /nfs/dbraw/zinc/14/40/63/168144063.db2.gz GHUKEWRKYUAEKA-UHFFFAOYSA-N 1 0 199.338 2.567 20 0 AFADRO COC1(C[NH2+]C(C)C)CCCCCC1 50482377 168144644 /nfs/dbraw/zinc/14/46/44/168144644.db2.gz WGGJDCSSFDVHLN-UHFFFAOYSA-N 1 0 199.338 2.724 20 0 AFADRO COCCCC[NH2+][C@@H]1CCCC[C@@H]1C 44655237 168151979 /nfs/dbraw/zinc/15/19/79/168151979.db2.gz XLNXYIIPOURCOQ-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+][C@@H]1CCCC[C@H]1C 44655233 168152297 /nfs/dbraw/zinc/15/22/97/168152297.db2.gz XLNXYIIPOURCOQ-VXGBXAGGSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+]C1CCC(C)CC1 44655173 168152582 /nfs/dbraw/zinc/15/25/82/168152582.db2.gz XOVYUPROJYWTSQ-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+]C1CCCCCC1 44655177 168152804 /nfs/dbraw/zinc/15/28/04/168152804.db2.gz ISPAQYMTYCWTSX-UHFFFAOYSA-N 1 0 199.338 2.725 20 0 AFADRO COCCCC[NH2+][C@@H]1CCC[C@@H](C)C1 44655037 168152864 /nfs/dbraw/zinc/15/28/64/168152864.db2.gz BVSROSOGCRNSJT-VXGBXAGGSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+][C@@H]1CCC[C@H](C)C1 44655041 168152904 /nfs/dbraw/zinc/15/29/04/168152904.db2.gz BVSROSOGCRNSJT-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+][C@H]1CCC[C@@H](C)C1 44655029 168153470 /nfs/dbraw/zinc/15/34/70/168153470.db2.gz BVSROSOGCRNSJT-NEPJUHHUSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+][C@H]1CCCC[C@H]1C 44655227 168153552 /nfs/dbraw/zinc/15/35/52/168153552.db2.gz XLNXYIIPOURCOQ-NEPJUHHUSA-N 1 0 199.338 2.581 20 0 AFADRO COCCC[NH2+]CCC1CCCCC1 37753805 168153694 /nfs/dbraw/zinc/15/36/94/168153694.db2.gz RELKZLMOPSULQM-UHFFFAOYSA-N 1 0 199.338 2.583 20 0 AFADRO COCCCC[NH2+][C@H]1CCC[C@H](C)C1 44655034 168154009 /nfs/dbraw/zinc/15/40/09/168154009.db2.gz BVSROSOGCRNSJT-RYUDHWBXSA-N 1 0 199.338 2.581 20 0 AFADRO COCCC[NH2+]C1CCC(C)(C)CC1 70653881 168154615 /nfs/dbraw/zinc/15/46/15/168154615.db2.gz FFGGPIGZVQQMBC-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+][C@H]1CCCC[C@@H]1C 44655230 168154719 /nfs/dbraw/zinc/15/47/19/168154719.db2.gz XLNXYIIPOURCOQ-RYUDHWBXSA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[C@H]([NH3+])c1ccccc1 37754129 168154950 /nfs/dbraw/zinc/15/49/50/168154950.db2.gz CNIPSAFWDYGSJU-LBPRGKRZSA-N 1 0 193.290 2.503 20 0 in-vitro AFADRO COCCCC[C@@H]([NH3+])c1ccccc1 37754130 168155129 /nfs/dbraw/zinc/15/51/29/168155129.db2.gz CNIPSAFWDYGSJU-GFCCVEGCSA-N 1 0 193.290 2.503 20 0 in-vitro AFADRO COCCC[NH2+]C1CCCCCCC1 20142158 168155229 /nfs/dbraw/zinc/15/52/29/168155229.db2.gz VOUJXUSCCZKSLF-UHFFFAOYSA-N 1 0 199.338 2.725 20 0 AFADRO COCCC[NH2+][C@@H]1CCCC(C)(C)C1 70682719 168156170 /nfs/dbraw/zinc/15/61/70/168156170.db2.gz AKZFIGDZQFCVIU-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO COCCC[NH2+][C@H](C)C1CCCCC1 37232413 168156217 /nfs/dbraw/zinc/15/62/17/168156217.db2.gz WODUXAHVWCQFJX-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO COCCC[NH2+][C@@H](C)C1CCCCC1 37232412 168156570 /nfs/dbraw/zinc/15/65/70/168156570.db2.gz WODUXAHVWCQFJX-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO COCCC[NH2+][C@H]1CCCC(C)(C)C1 70682718 168156621 /nfs/dbraw/zinc/15/66/21/168156621.db2.gz AKZFIGDZQFCVIU-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO COCC[C@H](C)[NH2+]CC1CCCCC1 45019114 168173175 /nfs/dbraw/zinc/17/31/75/168173175.db2.gz AQAQASZAVSILAU-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO COCC[C@@H](C)[NH2+]CC1CCCCC1 45019117 168173612 /nfs/dbraw/zinc/17/36/12/168173612.db2.gz AQAQASZAVSILAU-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 45019103 168174936 /nfs/dbraw/zinc/17/49/36/168174936.db2.gz RVTRUUAPBWIZRZ-WOPDTQHZSA-N 1 0 199.338 2.580 20 0 AFADRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 45019106 168175180 /nfs/dbraw/zinc/17/51/80/168175180.db2.gz RVTRUUAPBWIZRZ-GRYCIOLGSA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@@H](C)C[NH2+]C1CCCCCC1 45174531 168179598 /nfs/dbraw/zinc/17/95/98/168179598.db2.gz YLVRMQWJVSMNML-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO COC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 70682578 168179962 /nfs/dbraw/zinc/17/99/62/168179962.db2.gz JQJHBMUVDSRBMJ-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@@H](C)[NH2+]CCC1=CCCCC1 53172377 168180194 /nfs/dbraw/zinc/18/01/94/168180194.db2.gz DVLSBHZGTGIQQM-LLVKDONJSA-N 1 0 197.322 2.501 20 0 AFADRO COC[C@@H](C)[NH2+]C1CCC(C)(C)CC1 70653814 168181201 /nfs/dbraw/zinc/18/12/01/168181201.db2.gz IAAINQOONLNIQL-SNVBAGLBSA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 70682582 168181837 /nfs/dbraw/zinc/18/18/37/168181837.db2.gz JQJHBMUVDSRBMJ-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@@H]([NH2+]C1CCCCC1)C(C)C 75601402 168182727 /nfs/dbraw/zinc/18/27/27/168182727.db2.gz TWRKBEDOIIQPQA-GFCCVEGCSA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@H](C)C[NH2+]C1CCCCCC1 45174533 168186592 /nfs/dbraw/zinc/18/65/92/168186592.db2.gz YLVRMQWJVSMNML-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO COC[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 70682580 168189218 /nfs/dbraw/zinc/18/92/18/168189218.db2.gz JQJHBMUVDSRBMJ-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 70682576 168189220 /nfs/dbraw/zinc/18/92/20/168189220.db2.gz JQJHBMUVDSRBMJ-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@H](C)[NH2+]C1CCC(C)(C)CC1 70653813 168190159 /nfs/dbraw/zinc/19/01/59/168190159.db2.gz IAAINQOONLNIQL-JTQLQIEISA-N 1 0 199.338 2.580 20 0 AFADRO COC[C@H](C)[NH2+]CCC1=CCCCC1 53172374 168190441 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AFADRO Cc1ccc(CC[NH2+]C(C)(C)C)cc1 37927211 168812592 /nfs/dbraw/zinc/81/25/92/168812592.db2.gz JRQHXBNFCFIFRC-UHFFFAOYSA-N 1 0 191.318 2.926 20 0 AFADRO Cc1ccc(C[NH2+]CC2CC2)c(C)c1 19884583 168813859 /nfs/dbraw/zinc/81/38/59/168813859.db2.gz NKUSCFHGNWULKN-UHFFFAOYSA-N 1 0 189.302 2.803 20 0 AFADRO Cc1ccc(C[NH2+]CC2CCC2)s1 37179568 168814119 /nfs/dbraw/zinc/81/41/19/168814119.db2.gz VDWBZNZTJYYCMI-UHFFFAOYSA-N 1 0 195.331 2.946 20 0 AFADRO Cc1ccc(C[NH2+][C@@H](C)C2CC2)s1 35136566 168814213 /nfs/dbraw/zinc/81/42/13/168814213.db2.gz PFEDWNBOATUOSV-VIFPVBQESA-N 1 0 195.331 2.945 20 0 AFADRO Cc1ccc(C[NH2+]CC2CCCC2)o1 37252249 168814506 /nfs/dbraw/zinc/81/45/06/168814506.db2.gz NXMWXTLEFMDMJC-UHFFFAOYSA-N 1 0 193.290 2.868 20 0 AFADRO Cc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 44371309 168815214 /nfs/dbraw/zinc/81/52/14/168815214.db2.gz ZIXXZWXSTZZCFS-LBPRGKRZSA-N 1 0 189.302 2.883 20 0 AFADRO Cc1ccc(C[NH2+][C@H](C)C2CC2)cc1 19962476 168816142 /nfs/dbraw/zinc/81/61/42/168816142.db2.gz QBIWHUNINAXMTO-LLVKDONJSA-N 1 0 189.302 2.883 20 0 AFADRO Cc1ccc(C[NH2+][C@H](C)C2CC2)s1 35136568 168816598 /nfs/dbraw/zinc/81/65/98/168816598.db2.gz PFEDWNBOATUOSV-SECBINFHSA-N 1 0 195.331 2.945 20 0 AFADRO Cc1ccc(Cl)cc1[C@@H]1CC[NH2+]C1 71507253 168819436 /nfs/dbraw/zinc/81/94/36/168819436.db2.gz XEXQYVDPIJSMHV-SECBINFHSA-N 1 0 195.693 2.725 20 0 AFADRO Cc1ccc(F)cc1[C@@H]([NH3+])C1CC1 55222631 168820927 /nfs/dbraw/zinc/82/09/27/168820927.db2.gz QCKZFGNGDJYZRO-NSHDSACASA-N 1 0 179.238 2.544 20 0 AFADRO Cc1ccc(F)cc1C[NH2+]C(C)C 62665597 168821515 /nfs/dbraw/zinc/82/15/15/168821515.db2.gz ZSCAMFYXLKGZNP-UHFFFAOYSA-N 1 0 181.254 2.632 20 0 AFADRO Cc1ccc(SCCC[NH3+])cc1C 19426250 168834031 /nfs/dbraw/zinc/83/40/31/168834031.db2.gz XELGOFBCMPLOEI-UHFFFAOYSA-N 1 0 195.331 2.744 20 0 AFADRO Cc1ccc([C@@H]([NH3+])C2CCC2)s1 19969765 168834584 /nfs/dbraw/zinc/83/45/84/168834584.db2.gz RPTCLYLKIGTCFT-JTQLQIEISA-N 1 0 181.304 2.856 20 0 AFADRO Cc1ccc([C@@H]([NH3+])C(C)C)s1 19969794 168835439 /nfs/dbraw/zinc/83/54/39/168835439.db2.gz JPCUEIFXSSPIJN-VIFPVBQESA-N 1 0 169.293 2.712 20 0 AFADRO Cc1ccc([C@@H]2CCC[NH2+]C2)cc1F 38539199 168837505 /nfs/dbraw/zinc/83/75/05/168837505.db2.gz MSLMTOHBXIPIPG-LLVKDONJSA-N 1 0 193.265 2.601 20 0 AFADRO Cc1ccc([C@H]([NH3+])C(C)C)s1 19969793 168841079 /nfs/dbraw/zinc/84/10/79/168841079.db2.gz JPCUEIFXSSPIJN-SECBINFHSA-N 1 0 169.293 2.712 20 0 AFADRO Cc1ccc([C@H]2CCC[NH2+]C2)cc1F 38539201 168844324 /nfs/dbraw/zinc/84/43/24/168844324.db2.gz MSLMTOHBXIPIPG-NSHDSACASA-N 1 0 193.265 2.601 20 0 AFADRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CC2 96033239 168850244 /nfs/dbraw/zinc/85/02/44/168850244.db2.gz KKPUUCTYFLQDFL-ZDUSSCGKSA-N 1 0 187.286 2.734 20 0 AFADRO Cc1ccc2c(c1)[C@H]([NH2+]C1CC1)CC2 96033238 168851048 /nfs/dbraw/zinc/85/10/48/168851048.db2.gz KKPUUCTYFLQDFL-CYBMUJFWSA-N 1 0 187.286 2.734 20 0 AFADRO Cc1cccc(C)c1C[NH2+]C1CC1 83340235 168862526 /nfs/dbraw/zinc/86/25/26/168862526.db2.gz RRYADDCTJSRHJQ-UHFFFAOYSA-N 1 0 175.275 2.555 20 0 AFADRO Cc1cccc(CC[NH2+]CC2CC2)c1 36154544 168864473 /nfs/dbraw/zinc/86/44/73/168864473.db2.gz JZJLGBLLLWEEMA-UHFFFAOYSA-N 1 0 189.302 2.537 20 0 AFADRO Cc1cccc(C[NH2+][C@H](C)C2CC2)c1 20134060 168866361 /nfs/dbraw/zinc/86/63/61/168866361.db2.gz QDPAEZAQRADVKD-LLVKDONJSA-N 1 0 189.302 2.883 20 0 AFADRO Cc1cccc([C@@H]([NH3+])C2CCC2)c1 83121295 168872221 /nfs/dbraw/zinc/87/22/21/168872221.db2.gz PXSDPIQFXJCIIH-LBPRGKRZSA-N 1 0 175.275 2.795 20 0 AFADRO Cc1ccccc1-c1c[nH+]ccc1N 69841172 168882712 /nfs/dbraw/zinc/88/27/12/168882712.db2.gz YZOROWKHACHNHE-UHFFFAOYSA-N 1 0 184.242 2.639 20 0 AFADRO Cc1ccnc([C@H](C)[NH2+]C2CCC2)c1 307723490 168889356 /nfs/dbraw/zinc/88/93/56/168889356.db2.gz VDVBAFYSJPICPZ-JTQLQIEISA-N 1 0 190.290 2.593 20 0 AFADRO Cc1ccsc1[C@@H]([NH3+])C(C)C 44415622 168894857 /nfs/dbraw/zinc/89/48/57/168894857.db2.gz WQSAFURPDIVLKC-QMMMGPOBSA-N 1 0 169.293 2.712 20 0 AFADRO Cc1ccoc1C[NH2+][C@H]1CC=CCC1 126920642 168895232 /nfs/dbraw/zinc/89/52/32/168895232.db2.gz RCWUUVFEUWIMCY-NSHDSACASA-N 1 0 191.274 2.786 20 0 AFADRO Cc1ccsc1[C@H]([NH3+])C(C)C 44415621 168897405 /nfs/dbraw/zinc/89/74/05/168897405.db2.gz WQSAFURPDIVLKC-MRVPVSSYSA-N 1 0 169.293 2.712 20 0 AFADRO Cc1ccsc1[C@H](C)[NH2+]C1CC1 69635772 168897707 /nfs/dbraw/zinc/89/77/07/168897707.db2.gz ICQHUSLOHKVWTH-QMMMGPOBSA-N 1 0 181.304 2.870 20 0 AFADRO Cc1cnc([C@H](C)[NH+]2CCCCC2)o1 334301147 168909082 /nfs/dbraw/zinc/90/90/82/168909082.db2.gz WSCYQMQFOLSAHI-JTQLQIEISA-N 1 0 194.278 2.530 20 0 AFADRO Cc1c[nH+]ccc1N[C@@H]1CC[C@H](F)C1 306611643 168911651 /nfs/dbraw/zinc/91/16/51/168911651.db2.gz GTTXXLHOGATERJ-VHSXEESVSA-N 1 0 194.253 2.693 20 0 AFADRO Cc1c[nH+]ccc1N[C@H]1CC[C@@H](F)C1 306611644 168911690 /nfs/dbraw/zinc/91/16/90/168911690.db2.gz GTTXXLHOGATERJ-ZJUUUORDSA-N 1 0 194.253 2.693 20 0 AFADRO Cc1c[nH+]ccc1N[C@@H]1CCC[C@@H]1F 306759693 168912015 /nfs/dbraw/zinc/91/20/15/168912015.db2.gz WWROFPACVPJOAM-GXSJLCMTSA-N 1 0 194.253 2.693 20 0 AFADRO Cc1nc([C@@H](C)[NH2+]C2CC2)c(C)s1 20083168 168949405 /nfs/dbraw/zinc/94/94/05/168949405.db2.gz UISZJHMFZLLZBE-ZCFIWIBFSA-N 1 0 196.319 2.573 20 0 AFADRO Cc1ncc(C[NH2+][C@@H](C)C(C)C)s1 37797144 168963377 /nfs/dbraw/zinc/96/33/77/168963377.db2.gz KEHAMXQIUCLCLM-QMMMGPOBSA-N 1 0 198.335 2.586 20 0 AFADRO Cc1[nH+]ccc(N2CCCC2)c1Cl 306715718 168970469 /nfs/dbraw/zinc/97/04/69/168970469.db2.gz ANZIWIIAKGKKSC-UHFFFAOYSA-N 1 0 196.681 2.644 20 0 AFADRO Cc1ccsc1C[NH2+]C[C@@H]1C[C@H]1C 136250568 343978053 /nfs/dbraw/zinc/97/80/53/343978053.db2.gz IZHLCNZWHNGDKM-ZJUUUORDSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1ccsc1C[NH2+]C[C@H]1C[C@H]1C 136250596 343978057 /nfs/dbraw/zinc/97/80/57/343978057.db2.gz IZHLCNZWHNGDKM-NXEZZACHSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)s1 136250808 343978059 /nfs/dbraw/zinc/97/80/59/343978059.db2.gz VRVOTGXZHDWXQU-WPRPVWTQSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1ccsc1C[NH2+]C[C@@H]1C[C@@H]1C 136250489 343978061 /nfs/dbraw/zinc/97/80/61/343978061.db2.gz IZHLCNZWHNGDKM-UWVGGRQHSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)s1 136250844 343978063 /nfs/dbraw/zinc/97/80/63/343978063.db2.gz VRVOTGXZHDWXQU-WCBMZHEXSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1occc1C[N@H+]1CCC[C@@H]1C 334869398 169010582 /nfs/dbraw/zinc/01/05/82/169010582.db2.gz VNVIHPYHKDWBGP-VIFPVBQESA-N 1 0 179.263 2.572 20 0 AFADRO Cc1occc1C[NH2+][C@H]1CC[C@H](F)C1 335230426 169010806 /nfs/dbraw/zinc/01/08/06/169010806.db2.gz GKEPWQPNICMMQQ-QWRGUYRKSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](F)C1 335230404 169010825 /nfs/dbraw/zinc/01/08/25/169010825.db2.gz GKEPWQPNICMMQQ-GHMZBOCLSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[NH+]1CCCCC1 334836499 169010858 /nfs/dbraw/zinc/01/08/58/169010858.db2.gz MKHOORVTXDFLPM-UHFFFAOYSA-N 1 0 179.263 2.574 20 0 AFADRO Cc1occc1C[NH2+][C@H]1CC=CCC1 307347769 169010953 /nfs/dbraw/zinc/01/09/53/169010953.db2.gz QSTAFTZSUPWLBK-LBPRGKRZSA-N 1 0 191.274 2.786 20 0 AFADRO Cc1occc1C[NH2+][C@@H]1C=CCCC1 335653741 169010955 /nfs/dbraw/zinc/01/09/55/169010955.db2.gz GDLQGQHVGRBARU-GFCCVEGCSA-N 1 0 191.274 2.786 20 0 AFADRO Cc1occc1C[NH2+][C@H]1CC[C@@H](F)C1 335230417 169011482 /nfs/dbraw/zinc/01/14/82/169011482.db2.gz GKEPWQPNICMMQQ-MNOVXSKESA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[NH2+]C1CC(C)(F)C1 334853771 169011553 /nfs/dbraw/zinc/01/15/53/169011553.db2.gz OLVVHPHUVAQLOE-UHFFFAOYSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[N@@H+]1CCC[C@@H]1CF 334835204 169011603 /nfs/dbraw/zinc/01/16/03/169011603.db2.gz HOSHOYWKSBZXFP-LLVKDONJSA-N 1 0 197.253 2.522 20 0 AFADRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1F 334835647 169011720 /nfs/dbraw/zinc/01/17/20/169011720.db2.gz OWLDJEASNDRSOP-WDEREUQCSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[N@H+]1CCC[C@H]1C 334869396 169011767 /nfs/dbraw/zinc/01/17/67/169011767.db2.gz VNVIHPYHKDWBGP-SECBINFHSA-N 1 0 179.263 2.572 20 0 AFADRO Cc1occc1C[NH2+][C@@H]1CC[C@H](F)C1 335230436 169011784 /nfs/dbraw/zinc/01/17/84/169011784.db2.gz GKEPWQPNICMMQQ-WDEREUQCSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[NH2+][C@@H]1CC=CCC1 307347768 169011843 /nfs/dbraw/zinc/01/18/43/169011843.db2.gz QSTAFTZSUPWLBK-GFCCVEGCSA-N 1 0 191.274 2.786 20 0 AFADRO Cc1occc1C[N@@H+](C)C(C)(C)C 335448613 169011861 /nfs/dbraw/zinc/01/18/61/169011861.db2.gz BDLSFZPDNPCAGR-UHFFFAOYSA-N 1 0 181.279 2.818 20 0 AFADRO Cc1occc1C[NH2+][C@H]1CCC[C@H]1F 334835646 169011874 /nfs/dbraw/zinc/01/18/74/169011874.db2.gz OWLDJEASNDRSOP-MNOVXSKESA-N 1 0 197.253 2.568 20 0 AFADRO Cc1occc1C[N@@H+]1CCC12CCC2 334876441 169011881 /nfs/dbraw/zinc/01/18/81/169011881.db2.gz SRVCVDYHEUGTMM-UHFFFAOYSA-N 1 0 191.274 2.716 20 0 AFADRO Cc1occc1C[N@@H+](C)C1CCC1 307527153 169012028 /nfs/dbraw/zinc/01/20/28/169012028.db2.gz RXHPAXCUOIPGNO-UHFFFAOYSA-N 1 0 179.263 2.572 20 0 AFADRO Cc1occc1C[N@@H+]1CCC[C@H]1CF 334835206 169012077 /nfs/dbraw/zinc/01/20/77/169012077.db2.gz HOSHOYWKSBZXFP-NSHDSACASA-N 1 0 197.253 2.522 20 0 AFADRO Cc1occc1C[NH2+][C@H]1C=CCCC1 335653742 169012127 /nfs/dbraw/zinc/01/21/27/169012127.db2.gz GDLQGQHVGRBARU-LBPRGKRZSA-N 1 0 191.274 2.786 20 0 AFADRO Cc1sccc1C[N@@H+](C)C1CC1 334472004 169014994 /nfs/dbraw/zinc/01/49/94/169014994.db2.gz JYZMCFRKOPGUMY-UHFFFAOYSA-N 1 0 181.304 2.651 20 0 AFADRO Cc1sccc1C[N@@H+](C)C(C)C 335941281 169015137 /nfs/dbraw/zinc/01/51/37/169015137.db2.gz LPIRPXZRNNARAK-UHFFFAOYSA-N 1 0 183.320 2.897 20 0 AFADRO Cc1sccc1C[NH+]1CCCC1 307513920 169016286 /nfs/dbraw/zinc/01/62/86/169016286.db2.gz QWQVLRRUFGMMDW-UHFFFAOYSA-N 1 0 181.304 2.652 20 0 AFADRO Cc1sccc1C[N@@H+]1CC[C@@H](F)C1 335407754 169016580 /nfs/dbraw/zinc/01/65/80/169016580.db2.gz SJHGLWARBJOPGG-SNVBAGLBSA-N 1 0 199.294 2.600 20 0 AFADRO Cc1sccc1C[NH2+]C1CCC1 307574130 169016678 /nfs/dbraw/zinc/01/66/78/169016678.db2.gz GXVBYWLQYBUBGN-UHFFFAOYSA-N 1 0 181.304 2.699 20 0 AFADRO Cc1sccc1C[N@@H+]1CC[C@H](F)C1 335407753 169016778 /nfs/dbraw/zinc/01/67/78/169016778.db2.gz SJHGLWARBJOPGG-JTQLQIEISA-N 1 0 199.294 2.600 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)o1 136251105 343978097 /nfs/dbraw/zinc/97/80/97/343978097.db2.gz AQYDPNOYRGHFLM-YUMQZZPRSA-N 1 0 199.681 2.679 20 0 AFADRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)s1 136250892 343978101 /nfs/dbraw/zinc/97/81/01/343978101.db2.gz VRVOTGXZHDWXQU-SCZZXKLOSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1ccsc1C[NH2+]C[C@H]1C[C@@H]1C 136250529 343978107 /nfs/dbraw/zinc/97/81/07/343978107.db2.gz IZHLCNZWHNGDKM-VHSXEESVSA-N 1 0 195.331 2.802 20 0 AFADRO Cc1ccc(C[NH2+]C[C@H]2C[C@H]2C)s1 136250932 343978108 /nfs/dbraw/zinc/97/81/08/343978108.db2.gz VRVOTGXZHDWXQU-PSASIEDQSA-N 1 0 195.331 2.802 20 0 AFADRO Clc1ccc2c(c1)C[NH2+]CCS2 261508167 169022697 /nfs/dbraw/zinc/02/26/97/169022697.db2.gz QEJHOHYEOVRONH-UHFFFAOYSA-N 1 0 199.706 2.535 20 0 AFADRO Clc1ccc(C[NH2+]C2CCCC2)o1 37486998 169022787 /nfs/dbraw/zinc/02/27/87/169022787.db2.gz GDQTWJPJZQZHFQ-UHFFFAOYSA-N 1 0 199.681 2.965 20 0 AFADRO Clc1ccc([C@@H]2CCCC[NH2+]2)cn1 83281611 169022816 /nfs/dbraw/zinc/02/28/16/169022816.db2.gz MFXUKXSXRHICJE-VIFPVBQESA-N 1 0 196.681 2.550 20 0 AFADRO Clc1ccc(C[NH2+]CC2CCC2)o1 37503952 169023005 /nfs/dbraw/zinc/02/30/05/169023005.db2.gz KTIVREGJGVCEAH-UHFFFAOYSA-N 1 0 199.681 2.823 20 0 AFADRO Clc1ccc(CC[NH2+]C2CC2)cc1 34977717 169023226 /nfs/dbraw/zinc/02/32/26/169023226.db2.gz FUARHMCVRUARRK-UHFFFAOYSA-N 1 0 195.693 2.635 20 0 AFADRO Clc1ccc(C[NH+]2CCCC2)o1 306474513 169023250 /nfs/dbraw/zinc/02/32/50/169023250.db2.gz FZZYBYKXRSFXSY-UHFFFAOYSA-N 1 0 185.654 2.529 20 0 AFADRO Clc1ccc(C[NH2+]C2CC2)s1 19413465 169023489 /nfs/dbraw/zinc/02/34/89/169023489.db2.gz MNRLRTLGXRIHGU-UHFFFAOYSA-N 1 0 187.695 2.654 20 0 AFADRO Clc1ccc(C[NH2+]C2CCC2)o1 52207888 169023527 /nfs/dbraw/zinc/02/35/27/169023527.db2.gz RMVWGTKBAWGLGT-UHFFFAOYSA-N 1 0 185.654 2.575 20 0 AFADRO Clc1ccc(C[NH2+]C2CCC2)cc1 22007713 169023746 /nfs/dbraw/zinc/02/37/46/169023746.db2.gz FFQPTSKQNZIDCJ-UHFFFAOYSA-N 1 0 195.693 2.982 20 0 AFADRO Clc1cccc(C[NH2+]CC2CC2)c1 19885033 169024558 /nfs/dbraw/zinc/02/45/58/169024558.db2.gz JEIROJRJHRATAJ-UHFFFAOYSA-N 1 0 195.693 2.840 20 0 AFADRO Clc1cccc(CC[NH2+]C2CC2)c1 52944637 169025464 /nfs/dbraw/zinc/02/54/64/169025464.db2.gz ADMGOSIWHRPBBM-UHFFFAOYSA-N 1 0 195.693 2.635 20 0 AFADRO Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]1C 136254558 343978494 /nfs/dbraw/zinc/97/84/94/343978494.db2.gz OWCPKLGSAFQMDT-WCQYABFASA-N 1 0 189.302 2.741 20 0 AFADRO Clc1sccc1C[NH2+]C1CC1 306459535 169027530 /nfs/dbraw/zinc/02/75/30/169027530.db2.gz GYXSAEUCQSSVCM-UHFFFAOYSA-N 1 0 187.695 2.654 20 0 AFADRO Cc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1 136256697 343978568 /nfs/dbraw/zinc/97/85/68/343978568.db2.gz NUWHCSGWJJBSQT-WCQYABFASA-N 1 0 189.302 2.741 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1F 136254003 343978581 /nfs/dbraw/zinc/97/85/81/343978581.db2.gz NGZSWSJOYPQKRF-ONGXEEELSA-N 1 0 193.265 2.571 20 0 AFADRO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(F)c1 136254095 343978585 /nfs/dbraw/zinc/97/85/85/343978585.db2.gz ZKHYYLOSCWPVFK-GXSJLCMTSA-N 1 0 193.265 2.571 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(F)cc1 136255843 343978638 /nfs/dbraw/zinc/97/86/38/343978638.db2.gz HCOAHWCRQYEEKD-MWLCHTKSSA-N 1 0 193.265 2.571 20 0 AFADRO FC(F)(F)CC[NH+]1CCCCCC1 307624651 169072036 /nfs/dbraw/zinc/07/20/36/169072036.db2.gz OBNRZDCRXKBJBA-UHFFFAOYSA-N 1 0 195.228 2.815 20 0 AFADRO FC(F)[C@H]1C[C@@H]1[NH2+]C1CCCCC1 307759998 169073685 /nfs/dbraw/zinc/07/36/85/169073685.db2.gz ULDQYSXYKCSBGS-IUCAKERBSA-N 1 0 189.249 2.562 20 0 AFADRO FC(F)C1CCC([NH2+]C2CC2)CC1 307231907 169073768 /nfs/dbraw/zinc/07/37/68/169073768.db2.gz BQSOLTWIEORHQT-UHFFFAOYSA-N 1 0 189.249 2.562 20 0 AFADRO FC(F)C[NH2+][C@H]1CCCC12CCC2 307375851 169073920 /nfs/dbraw/zinc/07/39/20/169073920.db2.gz ZTFSJOSBKOXBGO-QMMMGPOBSA-N 1 0 189.249 2.564 20 0 AFADRO FC(F)C[NH2+]C1CCCCCC1 37755857 169074049 /nfs/dbraw/zinc/07/40/49/169074049.db2.gz KIQHKUCHYPSNMU-UHFFFAOYSA-N 1 0 177.238 2.564 20 0 AFADRO FC(F)C[NH2+]C1CCC2(CC1)CC2 334639871 169074311 /nfs/dbraw/zinc/07/43/11/169074311.db2.gz PYRIKQOERUFZOE-UHFFFAOYSA-N 1 0 189.249 2.564 20 0 AFADRO FC(F)C[NH2+]C1CCCCCCC1 37755735 169074880 /nfs/dbraw/zinc/07/48/80/169074880.db2.gz GLYOPFQAOZKGHZ-UHFFFAOYSA-N 1 0 191.265 2.954 20 0 AFADRO FC(F)[C@@H]1CCCCN1CC1CC1 307622344 169074992 /nfs/dbraw/zinc/07/49/92/169074992.db2.gz PQAVFUCWXRBJBE-VIFPVBQESA-N 1 0 189.249 2.516 20 0 AFADRO FC(F)C[NH2+][C@@H]1CCCC12CCC2 307375850 169075066 /nfs/dbraw/zinc/07/50/66/169075066.db2.gz ZTFSJOSBKOXBGO-MRVPVSSYSA-N 1 0 189.249 2.564 20 0 AFADRO FC1(F)CC[C@H](C[NH+]2CCCC2)C1 306903878 169075533 /nfs/dbraw/zinc/07/55/33/169075533.db2.gz SUKYSEFKAMJBSI-VIFPVBQESA-N 1 0 189.249 2.518 20 0 AFADRO FC1(F)CCC[C@H]([NH2+]CC2CC2)C1 306157813 169075651 /nfs/dbraw/zinc/07/56/51/169075651.db2.gz FALPQHQIERHWSH-VIFPVBQESA-N 1 0 189.249 2.564 20 0 AFADRO FC1(F)CC[C@@H](C[NH+]2CCCC2)C1 306903877 169075964 /nfs/dbraw/zinc/07/59/64/169075964.db2.gz SUKYSEFKAMJBSI-SECBINFHSA-N 1 0 189.249 2.518 20 0 AFADRO FC1(F)CC(C[NH+]2CCCCC2)C1 306732783 169076145 /nfs/dbraw/zinc/07/61/45/169076145.db2.gz MPUZFENXCOKYKT-UHFFFAOYSA-N 1 0 189.249 2.518 20 0 AFADRO FC1(F)CC(C[NH2+]C2CCCC2)C1 307545764 169076367 /nfs/dbraw/zinc/07/63/67/169076367.db2.gz YIWGIZFAJNYHTP-UHFFFAOYSA-N 1 0 189.249 2.564 20 0 AFADRO FC1(F)CCC[C@@H]([NH2+]CC2CC2)C1 306157812 169076636 /nfs/dbraw/zinc/07/66/36/169076636.db2.gz FALPQHQIERHWSH-SECBINFHSA-N 1 0 189.249 2.564 20 0 AFADRO FC1(F)CC([NH2+]C2CCCCC2)C1 306734970 169076761 /nfs/dbraw/zinc/07/67/61/169076761.db2.gz VMJOKSAOWXZIND-UHFFFAOYSA-N 1 0 189.249 2.706 20 0 AFADRO FCC1([NH2+]C2CCCCC2)CCC1 335450427 169077415 /nfs/dbraw/zinc/07/74/15/169077415.db2.gz XZRGVVFKJYAQDS-UHFFFAOYSA-N 1 0 185.286 2.801 20 0 AFADRO FC[C@@H]1CCC[N@@H+]1Cc1cccs1 306582663 169077493 /nfs/dbraw/zinc/07/74/93/169077493.db2.gz CREKVTDYNRQMAD-VIFPVBQESA-N 1 0 199.294 2.682 20 0 AFADRO FCC[NH2+][C@@H]1CCCC12CCCC2 306189527 169077597 /nfs/dbraw/zinc/07/75/97/169077597.db2.gz VUPKEEUIOCQLPK-SNVBAGLBSA-N 1 0 185.286 2.658 20 0 AFADRO FC[C@@H]1CCC[N@@H+]1Cc1ccsc1 334288187 169077659 /nfs/dbraw/zinc/07/76/59/169077659.db2.gz YTERIMSWAHOCMF-JTQLQIEISA-N 1 0 199.294 2.682 20 0 AFADRO FCCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 307757976 169077798 /nfs/dbraw/zinc/07/77/98/169077798.db2.gz NABZVUSDBAYXOJ-MNOVXSKESA-N 1 0 185.286 2.611 20 0 AFADRO FCCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 307757977 169077837 /nfs/dbraw/zinc/07/78/37/169077837.db2.gz NABZVUSDBAYXOJ-QWRGUYRKSA-N 1 0 185.286 2.611 20 0 AFADRO FCC1CC[NH+]([C@H]2C=CCCC2)CC1 336254856 169078119 /nfs/dbraw/zinc/07/81/19/169078119.db2.gz TZSKHZFBTPYYNY-LBPRGKRZSA-N 1 0 197.297 2.777 20 0 AFADRO FC[C@H]1CCC[N@@H+]1Cc1cccs1 306582662 169078150 /nfs/dbraw/zinc/07/81/50/169078150.db2.gz CREKVTDYNRQMAD-SECBINFHSA-N 1 0 199.294 2.682 20 0 AFADRO FCC[NH2+]C1CC2(CCCCC2)C1 334983145 169078198 /nfs/dbraw/zinc/07/81/98/169078198.db2.gz XACDIJZQOVQZLH-UHFFFAOYSA-N 1 0 185.286 2.658 20 0 AFADRO FCCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 307757978 169078258 /nfs/dbraw/zinc/07/82/58/169078258.db2.gz NABZVUSDBAYXOJ-WDEREUQCSA-N 1 0 185.286 2.611 20 0 AFADRO FCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 306342927 169078464 /nfs/dbraw/zinc/07/84/64/169078464.db2.gz MOGZRRCKLUOFGB-QWRGUYRKSA-N 1 0 185.286 2.611 20 0 AFADRO FCC[NH2+][C@H]1CCCC12CCCC2 306189526 169078509 /nfs/dbraw/zinc/07/85/09/169078509.db2.gz VUPKEEUIOCQLPK-JTQLQIEISA-N 1 0 185.286 2.658 20 0 AFADRO FCCC[N@@H+]1CCC[C@H]2CCC[C@H]21 307757975 169078625 /nfs/dbraw/zinc/07/86/25/169078625.db2.gz NABZVUSDBAYXOJ-GHMZBOCLSA-N 1 0 185.286 2.611 20 0 AFADRO FCC1CC[NH+]([C@@H]2C=CCCC2)CC1 336254855 169078956 /nfs/dbraw/zinc/07/89/56/169078956.db2.gz TZSKHZFBTPYYNY-GFCCVEGCSA-N 1 0 197.297 2.777 20 0 AFADRO FCC1CC[NH+](C2CCCC2)CC1 336260056 169079201 /nfs/dbraw/zinc/07/92/01/169079201.db2.gz QYNQWWVIYYXSCT-UHFFFAOYSA-N 1 0 185.286 2.611 20 0 AFADRO FC[C@H]1CCC[N@@H+]1Cc1ccsc1 334288188 169079832 /nfs/dbraw/zinc/07/98/32/169079832.db2.gz YTERIMSWAHOCMF-SNVBAGLBSA-N 1 0 199.294 2.682 20 0 AFADRO F[C@H]1CC[C@H]([NH2+]Cc2ccsc2)C1 306519097 169080224 /nfs/dbraw/zinc/08/02/24/169080224.db2.gz 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F[C@H]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 335169432 169080833 /nfs/dbraw/zinc/08/08/33/169080833.db2.gz KTNVUBTZFJPVSY-VHSXEESVSA-N 1 0 197.297 2.799 20 0 AFADRO F[C@H]1CC[C@@H]([NH2+]Cc2cccs2)C1 307544845 169080882 /nfs/dbraw/zinc/08/08/82/169080882.db2.gz WXIIZCOKXXMRDS-DTWKUNHWSA-N 1 0 199.294 2.728 20 0 AFADRO Fc1cc(F)cc([C@H]2CCCC[NH2+]2)c1 41208965 169081531 /nfs/dbraw/zinc/08/15/31/169081531.db2.gz SDDKKMYWKCKZGJ-LLVKDONJSA-N 1 0 197.228 2.779 20 0 AFADRO Fc1ccc(/C=C/C[NH2+]C2CC2)cc1 83341662 169081664 /nfs/dbraw/zinc/08/16/64/169081664.db2.gz VMLXTBRBYVRONU-OWOJBTEDSA-N 1 0 191.249 2.591 20 0 AFADRO Fc1cc(F)cc(C[NH+]2CCCC2)c1 118048765 169082137 /nfs/dbraw/zinc/08/21/37/169082137.db2.gz ZGCMXFLOFYIHAJ-UHFFFAOYSA-N 1 0 197.228 2.561 20 0 AFADRO Fc1ccc(C[NH2+]C2CC2)cc1Cl 82531290 169083060 /nfs/dbraw/zinc/08/30/60/169083060.db2.gz OJSVSRMLNCMQRT-UHFFFAOYSA-N 1 0 199.656 2.731 20 0 AFADRO Fc1ccc(Cl)cc1C[NH2+]C1CC1 34977719 169083115 /nfs/dbraw/zinc/08/31/15/169083115.db2.gz TVOXYGDAXLQEHX-UHFFFAOYSA-N 1 0 199.656 2.731 20 0 AFADRO Fc1ccc(C[NH2+]C2CC2)c(Cl)c1 19385352 169083137 /nfs/dbraw/zinc/08/31/37/169083137.db2.gz LWDWKBBCWKPYGO-UHFFFAOYSA-N 1 0 199.656 2.731 20 0 AFADRO Fc1ccc(C[NH2+]C2CCC2)cc1F 44481959 169083445 /nfs/dbraw/zinc/08/34/45/169083445.db2.gz ATHOZXBEFOLPJJ-UHFFFAOYSA-N 1 0 197.228 2.607 20 0 AFADRO Fc1ccc(C[NH2+]C2CCC2)c(F)c1 51017110 169083502 /nfs/dbraw/zinc/08/35/02/169083502.db2.gz MBOGPZVMUAOSOS-UHFFFAOYSA-N 1 0 197.228 2.607 20 0 AFADRO Fc1ccc(F)c(C[NH2+]C2CCC2)c1 52207828 169083712 /nfs/dbraw/zinc/08/37/12/169083712.db2.gz RVKYMNUQMSKVNZ-UHFFFAOYSA-N 1 0 197.228 2.607 20 0 AFADRO Fc1ccc2c(c1)[C@H]([NH2+]C1CC1)CC2 107421594 169084249 /nfs/dbraw/zinc/08/42/49/169084249.db2.gz SECPKEIOAUBSRV-GFCCVEGCSA-N 1 0 191.249 2.565 20 0 AFADRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC1 107421601 169084764 /nfs/dbraw/zinc/08/47/64/169084764.db2.gz YIYOACOLOSLCCG-LBPRGKRZSA-N 1 0 191.249 2.565 20 0 AFADRO Fc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CC2 107421597 169085054 /nfs/dbraw/zinc/08/50/54/169085054.db2.gz SECPKEIOAUBSRV-LBPRGKRZSA-N 1 0 191.249 2.565 20 0 AFADRO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC1 107421604 169085161 /nfs/dbraw/zinc/08/51/61/169085161.db2.gz YIYOACOLOSLCCG-GFCCVEGCSA-N 1 0 191.249 2.565 20 0 AFADRO Fc1cccc(CC[C@@H]2CCC[NH2+]2)c1 71506370 169085396 /nfs/dbraw/zinc/08/53/96/169085396.db2.gz IGNLZRCQJSRNNH-LBPRGKRZSA-N 1 0 193.265 2.510 20 0 AFADRO Fc1cccc(CC[C@H]2CCC[NH2+]2)c1 71506371 169086009 /nfs/dbraw/zinc/08/60/09/169086009.db2.gz IGNLZRCQJSRNNH-GFCCVEGCSA-N 1 0 193.265 2.510 20 0 AFADRO Fc1cccc(C[NH2+]C2CCC2)c1F 52210082 169086100 /nfs/dbraw/zinc/08/61/00/169086100.db2.gz WKSXEZPTNPZAPO-UHFFFAOYSA-N 1 0 197.228 2.607 20 0 AFADRO Fc1cccc(F)c1C[NH2+]C1CCC1 52206850 169086481 /nfs/dbraw/zinc/08/64/81/169086481.db2.gz JHQOOPOKZZVIRR-UHFFFAOYSA-N 1 0 197.228 2.607 20 0 AFADRO Fc1cccc(C[NH2+]CC2CCC2)c1 37180330 169086767 /nfs/dbraw/zinc/08/67/67/169086767.db2.gz PJEKHPMKWHLYHD-UHFFFAOYSA-N 1 0 193.265 2.715 20 0 AFADRO 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DQWNJTWCOSNHPO-SECBINFHSA-N 1 0 199.363 2.518 20 0 AFADRO [NH3+]C1CC(c2ccc(Cl)cc2)C1 36840691 169171909 /nfs/dbraw/zinc/17/19/09/169171909.db2.gz GQPGXNZYFZMGHW-UHFFFAOYSA-N 1 0 181.666 2.545 20 0 in-vitro AFADRO [NH3+]C1CC(F)(c2cccc(Cl)c2)C1 157699514 169172703 /nfs/dbraw/zinc/17/27/03/169172703.db2.gz OITAVTJBKVAFIN-UHFFFAOYSA-N 1 0 199.656 2.626 20 0 AFADRO [NH3+]CCCCCSc1ccccc1 49582389 169180046 /nfs/dbraw/zinc/18/00/46/169180046.db2.gz LSXFKBSEZRHARU-UHFFFAOYSA-N 1 0 195.331 2.908 20 0 AFADRO [NH3+]CCCCSc1ccc(F)cc1 19686425 169182440 /nfs/dbraw/zinc/18/24/40/169182440.db2.gz ASUHPUQIHBWHRT-UHFFFAOYSA-N 1 0 199.294 2.657 20 0 AFADRO [NH3+]CCCCSc1ccccc1 19686421 169182945 /nfs/dbraw/zinc/18/29/45/169182945.db2.gz GRPAOOCSJBDSSF-UHFFFAOYSA-N 1 0 181.304 2.518 20 0 AFADRO [NH3+]CC[C@@H]1CCCc2sccc21 74301335 169194256 /nfs/dbraw/zinc/19/42/56/169194256.db2.gz ZVJHQRVEYGQGIU-QMMMGPOBSA-N 1 0 181.304 2.517 20 0 AFADRO [NH3+]CC[C@H]1CCCc2sccc21 74301337 169195783 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189.302 2.770 20 0 in-vivo AFADRO Cc1cccc([C@H]2CCC[NH2+]C2)c1C 13782162 343037559 /nfs/dbraw/zinc/03/75/59/343037559.db2.gz TXQGNZXKUWJMKW-LBPRGKRZSA-N 1 0 189.302 2.770 20 0 in-vivo AFADRO CC[N@@H+]1CCC[C@H](CC(C)C)C1 14593157 343039427 /nfs/dbraw/zinc/03/94/27/343039427.db2.gz WVHWFLZXIQDRDJ-LLVKDONJSA-N 1 0 169.312 2.764 20 0 AFADRO CCc1ccc([C@@H]([NH3+])CC)cc1 15014362 343041127 /nfs/dbraw/zinc/04/11/27/343041127.db2.gz WMSACDMMOFHQIS-NSHDSACASA-N 1 0 163.264 2.659 20 0 AFADRO C[NH2+]CC(C)(C)CC=C(C)C 17473960 343046705 /nfs/dbraw/zinc/04/67/05/343046705.db2.gz VHECYMGECZKHMR-UHFFFAOYSA-N 1 0 155.285 2.588 20 0 AFADRO C[C@H]1CC(C)(C)C[C@@](C)([NH3+])C1 17418100 343046799 /nfs/dbraw/zinc/04/67/99/343046799.db2.gz WCYNWVWYGZJUFX-WPRPVWTQSA-N 1 0 155.285 2.550 20 0 AFADRO C[C@H]1CC(C)(C)C[C@](C)([NH3+])C1 17418107 343046803 /nfs/dbraw/zinc/04/68/03/343046803.db2.gz WCYNWVWYGZJUFX-WCBMZHEXSA-N 1 0 155.285 2.550 20 0 AFADRO CC(C)C[N@H+](C)CC(C)(C)C 17408327 343046817 /nfs/dbraw/zinc/04/68/17/343046817.db2.gz FHZKVJWDQWKVKS-UHFFFAOYSA-N 1 0 157.301 2.620 20 0 AFADRO CC(C)[NH2+]Cc1ccc(Cl)s1 19409890 343054373 /nfs/dbraw/zinc/05/43/73/343054373.db2.gz TZJREGRTPOJRQW-UHFFFAOYSA-N 1 0 189.711 2.900 20 0 AFADRO Cc1ccc([C@@H]([NH3+])C2CCC2)cc1 19421911 343054763 /nfs/dbraw/zinc/05/47/63/343054763.db2.gz HJUBVJHETMKCEY-LBPRGKRZSA-N 1 0 175.275 2.795 20 0 AFADRO Cc1ccc([C@H]([NH3+])C2CCC2)cc1 19421913 343054804 /nfs/dbraw/zinc/05/48/04/343054804.db2.gz HJUBVJHETMKCEY-GFCCVEGCSA-N 1 0 175.275 2.795 20 0 AFADRO CCC(CC)C[NH2+]CC(C)C 19882968 343063476 /nfs/dbraw/zinc/06/34/76/343063476.db2.gz JEXZEAJNTAJJTE-UHFFFAOYSA-N 1 0 157.301 2.668 20 0 AFADRO CCC[NH2+]C1CCC(C)CC1 19503730 343056734 /nfs/dbraw/zinc/05/67/34/343056734.db2.gz PHHOHYAPZUKJNS-UHFFFAOYSA-N 1 0 155.285 2.565 20 0 AFADRO CCc1ccc(C[NH2+]C2CC2)s1 19517714 343057169 /nfs/dbraw/zinc/05/71/69/343057169.db2.gz UWOBAESVBBWRIE-UHFFFAOYSA-N 1 0 181.304 2.563 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)C 20085876 343067351 /nfs/dbraw/zinc/06/73/51/343067351.db2.gz UXKPWQVKZAKZKM-NXEZZACHSA-N 1 0 157.301 2.667 20 0 AFADRO CCC[NH2+]C1[C@H](C)CCC[C@H]1C 19807371 343060693 /nfs/dbraw/zinc/06/06/93/343060693.db2.gz RXBPAERUNLURBC-NXEZZACHSA-N 1 0 169.312 2.811 20 0 AFADRO CCC[NH2+]C1CCC(CC)CC1 19807362 343060951 /nfs/dbraw/zinc/06/09/51/343060951.db2.gz NCJYCKSWQDAXKX-UHFFFAOYSA-N 1 0 169.312 2.955 20 0 AFADRO CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C 19807369 343061002 /nfs/dbraw/zinc/06/10/02/343061002.db2.gz RXBPAERUNLURBC-UWVGGRQHSA-N 1 0 169.312 2.811 20 0 AFADRO Cc1ccc(C2CC[NH2+]CC2)c(C)c1 19835068 343062134 /nfs/dbraw/zinc/06/21/34/343062134.db2.gz UQEABOWIBIOOCW-UHFFFAOYSA-N 1 0 189.302 2.770 20 0 AFADRO C[C@H]([NH2+]C1CCCCC1)C1CC1 19879017 343062911 /nfs/dbraw/zinc/06/29/11/343062911.db2.gz PBAAKLGEAGWNDK-VIFPVBQESA-N 1 0 167.296 2.707 20 0 AFADRO CC(C)[NH2+][C@@H]1CCC[C@@H](C)C1 19880411 343062982 /nfs/dbraw/zinc/06/29/82/343062982.db2.gz XBOXZMXGJQMBKJ-NXEZZACHSA-N 1 0 155.285 2.563 20 0 AFADRO CC1CCC([NH2+]C(C)C)CC1 19880375 343063080 /nfs/dbraw/zinc/06/30/80/343063080.db2.gz CVVJQJJVNZNOBR-UHFFFAOYSA-N 1 0 155.285 2.563 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1cccnc1 19882153 343063230 /nfs/dbraw/zinc/06/32/30/343063230.db2.gz BQVHZOQCVWZWBW-VHSXEESVSA-N 1 0 178.279 2.531 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1ccncc1 19882147 343063243 /nfs/dbraw/zinc/06/32/43/343063243.db2.gz FATNXGDKONZJEN-VHSXEESVSA-N 1 0 178.279 2.531 20 0 AFADRO CCC(CC)[NH2+]C1CCCC1 19883459 343063277 /nfs/dbraw/zinc/06/32/77/343063277.db2.gz QCVONCVYTDWKBU-UHFFFAOYSA-N 1 0 155.285 2.707 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)c1ccco1 19882227 343063288 /nfs/dbraw/zinc/06/32/88/343063288.db2.gz CZWMNYIAYAERPU-IUCAKERBSA-N 1 0 167.252 2.729 20 0 AFADRO C[C@H]([NH2+]C1CCCC1)c1cccnc1 19883445 343063416 /nfs/dbraw/zinc/06/34/16/343063416.db2.gz SCSKBCBJYLRKFM-JTQLQIEISA-N 1 0 190.290 2.675 20 0 AFADRO CCC(CC)C[NH2+]C1CCCC1 19883361 343063432 /nfs/dbraw/zinc/06/34/32/343063432.db2.gz AGFFJUAVJKNWCV-UHFFFAOYSA-N 1 0 169.312 2.955 20 0 AFADRO CC(C)[C@H](C)[NH2+]C1CCCC1 19883495 343063435 /nfs/dbraw/zinc/06/34/35/343063435.db2.gz HKDTYOSIMSERCM-VIFPVBQESA-N 1 0 155.285 2.563 20 0 AFADRO C[C@H]([NH2+]C1CCCC1)c1ccncc1 19883443 343063449 /nfs/dbraw/zinc/06/34/49/343063449.db2.gz OQHCXJWKCAWINK-JTQLQIEISA-N 1 0 190.290 2.675 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1ccco1 19882230 343063458 /nfs/dbraw/zinc/06/34/58/343063458.db2.gz CZWMNYIAYAERPU-DTWKUNHWSA-N 1 0 167.252 2.729 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)c1ccncc1 19882145 343063478 /nfs/dbraw/zinc/06/34/78/343063478.db2.gz FATNXGDKONZJEN-UWVGGRQHSA-N 1 0 178.279 2.531 20 0 AFADRO CCC(CC)C[NH2+][C@@H](C)CC 19881943 343063488 /nfs/dbraw/zinc/06/34/88/343063488.db2.gz PYCJISZUYJQBDZ-VIFPVBQESA-N 1 0 157.301 2.811 20 0 AFADRO CC[C@H](C)[NH2+]C1CCCCC1 19882800 343063493 /nfs/dbraw/zinc/06/34/93/343063493.db2.gz AAIPSHDQMADPTO-VIFPVBQESA-N 1 0 155.285 2.707 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1ccccn1 19882142 343063500 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CCCCC[NH2+]C1CCCC1 19901251 343063683 /nfs/dbraw/zinc/06/36/83/343063683.db2.gz SFYTXRHSVXLCKA-UHFFFAOYSA-N 1 0 155.285 2.709 20 0 AFADRO CCCCC[NH2+][C@H](C)c1ccncc1 19901345 343063707 /nfs/dbraw/zinc/06/37/07/343063707.db2.gz RLEIWGIVUKMVTB-LLVKDONJSA-N 1 0 192.306 2.922 20 0 AFADRO CCc1ccc(C[NH2+]CC2CC2)cc1 19884638 343063757 /nfs/dbraw/zinc/06/37/57/343063757.db2.gz BZILOKOZCCYJIY-UHFFFAOYSA-N 1 0 189.302 2.749 20 0 AFADRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1CC1 19884688 343063783 /nfs/dbraw/zinc/06/37/83/343063783.db2.gz AWCNUKJRQCRUBD-UWVGGRQHSA-N 1 0 181.323 2.811 20 0 AFADRO Cc1ccc([C@@H](C)[NH2+]CC2CC2)o1 19884848 343063785 /nfs/dbraw/zinc/06/37/85/343063785.db2.gz BVSAWXDVIFPMTM-SECBINFHSA-N 1 0 179.263 2.649 20 0 AFADRO CCCCC[NH2+][C@@H](C)c1ccncc1 19901344 343063801 /nfs/dbraw/zinc/06/38/01/343063801.db2.gz RLEIWGIVUKMVTB-NSHDSACASA-N 1 0 192.306 2.922 20 0 AFADRO CC1CCC([NH2+]CC2CC2)CC1 19884643 343063804 /nfs/dbraw/zinc/06/38/04/343063804.db2.gz QOAHQHZQMRSBFO-UHFFFAOYSA-N 1 0 167.296 2.565 20 0 AFADRO CCC(CC)[NH2+][C@@H](C)c1ccccn1 19883869 343063838 /nfs/dbraw/zinc/06/38/38/343063838.db2.gz SRUJLPGIGDFPNK-JTQLQIEISA-N 1 0 192.306 2.921 20 0 AFADRO C[C@H]([NH2+]CC1CC1)c1cccs1 19884813 343063840 /nfs/dbraw/zinc/06/38/40/343063840.db2.gz GYHVXFSHKLOPPD-QMMMGPOBSA-N 1 0 181.304 2.809 20 0 AFADRO C[C@H]([NH2+]CC1CC1)c1ccccc1F 19884819 343063846 /nfs/dbraw/zinc/06/38/46/343063846.db2.gz LGUXUNMKHHQHCW-VIFPVBQESA-N 1 0 193.265 2.886 20 0 AFADRO Cc1ccc([C@H](C)[NH2+]CC2CC2)o1 19884849 343063851 /nfs/dbraw/zinc/06/38/51/343063851.db2.gz BVSAWXDVIFPMTM-VIFPVBQESA-N 1 0 179.263 2.649 20 0 AFADRO CCC1CCC([NH2+]CC2CC2)CC1 19884652 343063874 /nfs/dbraw/zinc/06/38/74/343063874.db2.gz FMSQFWWCPNIOTJ-UHFFFAOYSA-N 1 0 181.323 2.955 20 0 AFADRO CCC(CC)[NH2+][C@H](C)c1cccnc1 19883879 343063878 /nfs/dbraw/zinc/06/38/78/343063878.db2.gz YJXOKUAGYRLTIX-SNVBAGLBSA-N 1 0 192.306 2.921 20 0 AFADRO CCC(CC)[NH2+][C@@H](C)c1ccncc1 19883872 343063910 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44371764 343264098 /nfs/dbraw/zinc/26/40/98/343264098.db2.gz CSLVAYSYVZKVQW-NSHDSACASA-N 1 0 193.265 2.714 20 0 AFADRO CC1(C)C[C@H]1[NH2+]CC1CCCCC1 44371031 343264107 /nfs/dbraw/zinc/26/41/07/343264107.db2.gz SNYJPKQUXLGXCH-LLVKDONJSA-N 1 0 181.323 2.955 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]Cc1ccsc1 44371264 343264111 /nfs/dbraw/zinc/26/41/11/343264111.db2.gz ZFZIQAFCHWYOIZ-VIFPVBQESA-N 1 0 181.304 2.636 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(Cl)o1 44371046 343264115 /nfs/dbraw/zinc/26/41/15/343264115.db2.gz CKPWORQFROGFEF-QMMMGPOBSA-N 1 0 199.681 2.821 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]Cc1cccs1 44371098 343264161 /nfs/dbraw/zinc/26/41/61/343264161.db2.gz VSRWCDDKJXSPDL-VIFPVBQESA-N 1 0 181.304 2.636 20 0 AFADRO CC1(C)C[C@H]1[NH2+]Cc1ccsc1 44371269 343264186 /nfs/dbraw/zinc/26/41/86/343264186.db2.gz ZFZIQAFCHWYOIZ-SECBINFHSA-N 1 0 181.304 2.636 20 0 AFADRO CC1(C)C[C@H]1[NH2+]C[C@@H]1CC=CCC1 44371190 343264198 /nfs/dbraw/zinc/26/41/98/343264198.db2.gz SLFBTDSNSXSFPI-GHMZBOCLSA-N 1 0 179.307 2.731 20 0 AFADRO Cc1ccc(C[NH2+][C@H]2CC2(C)C)s1 44370993 343264215 /nfs/dbraw/zinc/26/42/15/343264215.db2.gz CGZLTVPNTKPOFT-JTQLQIEISA-N 1 0 195.331 2.945 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]Cc1ccccc1F 44370709 343264225 /nfs/dbraw/zinc/26/42/25/343264225.db2.gz JUSQQHVSMCLPSR-NSHDSACASA-N 1 0 193.265 2.714 20 0 AFADRO Cc1ccsc1C[NH2+][C@@H]1CC1(C)C 44371224 343264355 /nfs/dbraw/zinc/26/43/55/343264355.db2.gz SVLVZFZBBIXKDA-SNVBAGLBSA-N 1 0 195.331 2.945 20 0 AFADRO Cc1cccc(C[NH2+][C@H]2CC2(C)C)c1 44371362 343264242 /nfs/dbraw/zinc/26/42/42/343264242.db2.gz KIRUFXOLNMNZJB-LBPRGKRZSA-N 1 0 189.302 2.883 20 0 AFADRO Cc1cccc(C[NH2+][C@@H]2CC2(C)C)c1 44371357 343264244 /nfs/dbraw/zinc/26/42/44/343264244.db2.gz KIRUFXOLNMNZJB-GFCCVEGCSA-N 1 0 189.302 2.883 20 0 AFADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(Cl)o1 44371051 343264268 /nfs/dbraw/zinc/26/42/68/343264268.db2.gz CKPWORQFROGFEF-MRVPVSSYSA-N 1 0 199.681 2.821 20 0 AFADRO CCC(CC)C[NH2+][C@H]1CC1(C)C 44371011 343264288 /nfs/dbraw/zinc/26/42/88/343264288.db2.gz YZYVRYUOWSONBZ-JTQLQIEISA-N 1 0 169.312 2.811 20 0 AFADRO CC1(C)C[C@H]1[NH2+]Cc1ccccc1 44371658 343264312 /nfs/dbraw/zinc/26/43/12/343264312.db2.gz UGHQLKIPPSIDTE-LLVKDONJSA-N 1 0 175.275 2.575 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]C1CCCCC1 44371454 343264316 /nfs/dbraw/zinc/26/43/16/343264316.db2.gz STCOJXYKUFPWDD-JTQLQIEISA-N 1 0 167.296 2.707 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]CC1CCCCC1 44371026 343264338 /nfs/dbraw/zinc/26/43/38/343264338.db2.gz SNYJPKQUXLGXCH-NSHDSACASA-N 1 0 181.323 2.955 20 0 AFADRO CC1(C)C[C@H]1[NH2+]C1CCCCC1 44371459 343264349 /nfs/dbraw/zinc/26/43/49/343264349.db2.gz STCOJXYKUFPWDD-SNVBAGLBSA-N 1 0 167.296 2.707 20 0 AFADRO CC1(C)C[C@H]1[NH2+]Cc1ccc(F)cc1 44371769 343264378 /nfs/dbraw/zinc/26/43/78/343264378.db2.gz CSLVAYSYVZKVQW-LLVKDONJSA-N 1 0 193.265 2.714 20 0 AFADRO CC1(C)C[C@@H]1[NH2+]C[C@H]1CC=CCC1 44371176 343264382 /nfs/dbraw/zinc/26/43/82/343264382.db2.gz SLFBTDSNSXSFPI-QWRGUYRKSA-N 1 0 179.307 2.731 20 0 AFADRO Cc1ccc(C[NH2+][C@@H]2CC2(C)C)s1 44370989 343264389 /nfs/dbraw/zinc/26/43/89/343264389.db2.gz CGZLTVPNTKPOFT-SNVBAGLBSA-N 1 0 195.331 2.945 20 0 AFADRO C[C@H]([NH2+]C1CCC1)c1ccccc1 44479831 343266322 /nfs/dbraw/zinc/26/63/22/343266322.db2.gz QZHMVMRQYDQYSQ-JTQLQIEISA-N 1 0 175.275 2.890 20 0 AFADRO Clc1ccccc1C[NH2+]C1CCC1 44479976 343266546 /nfs/dbraw/zinc/26/65/46/343266546.db2.gz HTAANMMVJQYFIS-UHFFFAOYSA-N 1 0 195.693 2.982 20 0 AFADRO C[C@H]1CCC[C@@H]([NH2+]C2CCC2)C1 44480621 343266552 /nfs/dbraw/zinc/26/65/52/343266552.db2.gz JGJGEVAZDMIXOW-GXSJLCMTSA-N 1 0 167.296 2.707 20 0 AFADRO C[C@H]([NH2+]C1CCC1)c1cccc(O)c1 44481659 343266575 /nfs/dbraw/zinc/26/65/75/343266575.db2.gz NIFBKBJCKMSFJD-VIFPVBQESA-N 1 0 191.274 2.595 20 0 AFADRO CC1CCC([NH2+]C2CCC2)CC1 44480060 343266669 /nfs/dbraw/zinc/26/66/69/343266669.db2.gz OIIWUSCJMAIOKN-UHFFFAOYSA-N 1 0 167.296 2.707 20 0 AFADRO Cc1cccc(C[NH2+]C2CCC2)c1 44480350 343266683 /nfs/dbraw/zinc/26/66/83/343266683.db2.gz RTPMMAIQZUDPEL-UHFFFAOYSA-N 1 0 175.275 2.637 20 0 AFADRO C[C@H](C[NH2+]C1CCC1)c1ccccc1 44480363 343266713 /nfs/dbraw/zinc/26/67/13/343266713.db2.gz LDAXDELQMHWEMU-LLVKDONJSA-N 1 0 189.302 2.932 20 0 AFADRO C[C@H]([NH2+]C1CCC1)c1cccs1 44480443 343266752 /nfs/dbraw/zinc/26/67/52/343266752.db2.gz MPNHESDMPHDPMB-QMMMGPOBSA-N 1 0 181.304 2.951 20 0 AFADRO C1CCC(C[NH2+]C2CCC2)CC1 44480625 343266788 /nfs/dbraw/zinc/26/67/88/343266788.db2.gz LGBOIDGYDVMZBM-UHFFFAOYSA-N 1 0 167.296 2.709 20 0 AFADRO Cc1ccc([C@@H](C)[NH2+]C2CCC2)o1 44480956 343266798 /nfs/dbraw/zinc/26/67/98/343266798.db2.gz IZFFRSCSTVDDOU-SECBINFHSA-N 1 0 179.263 2.791 20 0 AFADRO C[C@H]1CCC[C@H]([NH2+]C2CCC2)C1 44480617 343266806 /nfs/dbraw/zinc/26/68/06/343266806.db2.gz JGJGEVAZDMIXOW-ONGXEEELSA-N 1 0 167.296 2.707 20 0 AFADRO Cc1ccc([C@H](C)[NH2+]C2CCC2)o1 44480958 343266811 /nfs/dbraw/zinc/26/68/11/343266811.db2.gz IZFFRSCSTVDDOU-VIFPVBQESA-N 1 0 179.263 2.791 20 0 AFADRO C[C@@H](C[NH2+]C1CCC1)c1ccccc1 44480361 343266826 /nfs/dbraw/zinc/26/68/26/343266826.db2.gz LDAXDELQMHWEMU-NSHDSACASA-N 1 0 189.302 2.932 20 0 AFADRO Cc1cc(C[NH2+][C@H](C)CC(C)C)no1 44692265 343268025 /nfs/dbraw/zinc/26/80/25/343268025.db2.gz NJQPCZCNPBHXIH-SECBINFHSA-N 1 0 196.294 2.507 20 0 AFADRO Cc1cc(C[NH2+]CCC(C)(C)C)no1 44724509 343268849 /nfs/dbraw/zinc/26/88/49/343268849.db2.gz WAWOVLUHBWDDQI-UHFFFAOYSA-N 1 0 196.294 2.509 20 0 AFADRO CC1([NH2+]CC2CC2)CCCCC1 45042726 343270529 /nfs/dbraw/zinc/27/05/29/343270529.db2.gz BIQKXMFLPAMTKH-UHFFFAOYSA-N 1 0 167.296 2.709 20 0 AFADRO CC(C)[NH2+]Cc1coc2ccccc12 45206669 343271704 /nfs/dbraw/zinc/27/17/04/343271704.db2.gz RKRWHQPDBMQHKY-UHFFFAOYSA-N 1 0 189.258 2.931 20 0 AFADRO CC(C)[NH2+]Cc1cccc2[nH]ccc12 45206656 343271706 /nfs/dbraw/zinc/27/17/06/343271706.db2.gz AXGHMRZIKTUFLO-UHFFFAOYSA-N 1 0 188.274 2.666 20 0 AFADRO CC(C)[NH2+]Cc1ccc2cc[nH]c2c1 45206658 343271718 /nfs/dbraw/zinc/27/17/18/343271718.db2.gz GJYRDKZKWGKZIS-UHFFFAOYSA-N 1 0 188.274 2.666 20 0 AFADRO Cc1cnc([C@@H](C)[NH2+]C(C)C)s1 45206269 343271741 /nfs/dbraw/zinc/27/17/41/343271741.db2.gz ORFREGLLBVNGSC-MRVPVSSYSA-N 1 0 184.308 2.511 20 0 AFADRO Cc1cnc([C@H](C)[NH2+]C(C)C)s1 45206270 343271777 /nfs/dbraw/zinc/27/17/77/343271777.db2.gz ORFREGLLBVNGSC-QMMMGPOBSA-N 1 0 184.308 2.511 20 0 AFADRO CCCCOCCC[NH2+]C1CCCC1 48435908 343274644 /nfs/dbraw/zinc/27/46/44/343274644.db2.gz BRJWMOZMAOYCBQ-UHFFFAOYSA-N 1 0 199.338 2.725 20 0 AFADRO CC[C@@H]([NH3+])c1ccc(SC)cc1 48999504 343275068 /nfs/dbraw/zinc/27/50/68/343275068.db2.gz XPXSFFZVSDWNTP-SNVBAGLBSA-N 1 0 181.304 2.818 20 0 AFADRO CC[C@H]([NH3+])c1ccc(SC)cc1 48999502 343275196 /nfs/dbraw/zinc/27/51/96/343275196.db2.gz XPXSFFZVSDWNTP-JTQLQIEISA-N 1 0 181.304 2.818 20 0 AFADRO Cc1ccc(C[NH2+]C2CCC2)s1 50225428 343279689 /nfs/dbraw/zinc/27/96/89/343279689.db2.gz VGYWIRTTXIOUBE-UHFFFAOYSA-N 1 0 181.304 2.699 20 0 AFADRO CC1([NH2+]C[C@H]2CCC=CO2)CCCC1 50269526 343280509 /nfs/dbraw/zinc/28/05/09/343280509.db2.gz FIXGVVWRXHAONO-LLVKDONJSA-N 1 0 195.306 2.601 20 0 AFADRO C[C@H]([NH2+]C1CC1)c1ccsc1 50337297 343281848 /nfs/dbraw/zinc/28/18/48/343281848.db2.gz OZRZMBGBQCSVLK-ZETCQYMHSA-N 1 0 167.277 2.561 20 0 AFADRO Cc1cc(C[NH2+]CC2CC2)ccc1F 50544483 343284222 /nfs/dbraw/zinc/28/42/22/343284222.db2.gz HVSALHVDUVXCGR-UHFFFAOYSA-N 1 0 193.265 2.634 20 0 AFADRO Cc1cc(F)ccc1C[NH2+]CC1CC1 50569013 343284903 /nfs/dbraw/zinc/28/49/03/343284903.db2.gz RVKGNNNXKFWBBR-UHFFFAOYSA-N 1 0 193.265 2.634 20 0 AFADRO CCCC[C@@H](C)[NH2+]CCCSC 50887241 343286705 /nfs/dbraw/zinc/28/67/05/343286705.db2.gz XMHMCROHDODXEG-SNVBAGLBSA-N 1 0 189.368 2.908 20 0 AFADRO CCCC[C@H](C)[NH2+]CCCSC 50887242 343286762 /nfs/dbraw/zinc/28/67/62/343286762.db2.gz XMHMCROHDODXEG-JTQLQIEISA-N 1 0 189.368 2.908 20 0 AFADRO C[C@@]1(c2cccc(Cl)c2)CC[NH2+]C1 51955268 343297284 /nfs/dbraw/zinc/29/72/84/343297284.db2.gz LAGYCAIZVKFHJY-LLVKDONJSA-N 1 0 195.693 2.591 20 0 AFADRO CCc1csc([C@@H]2CCCC[NH2+]2)n1 52125992 343300228 /nfs/dbraw/zinc/30/02/28/343300228.db2.gz GPCFLEWCYTZPPF-VIFPVBQESA-N 1 0 196.319 2.520 20 0 AFADRO CCc1csc([C@H]2CCCC[NH2+]2)n1 52125993 343300320 /nfs/dbraw/zinc/30/03/20/343300320.db2.gz GPCFLEWCYTZPPF-SECBINFHSA-N 1 0 196.319 2.520 20 0 AFADRO CCCC[C@@H](C)[NH2+]CC1CCOCC1 52172677 343301433 /nfs/dbraw/zinc/30/14/33/343301433.db2.gz CTILOBQAJVYWHJ-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@H]([NH3+])c1cc(F)ccc1C 52138886 343301472 /nfs/dbraw/zinc/30/14/72/343301472.db2.gz DUJKFDPOORWIHR-NSHDSACASA-N 1 0 181.254 2.934 20 0 AFADRO Cc1nc([C@H](C)[NH2+]C2CCC2)cs1 52208067 343302066 /nfs/dbraw/zinc/30/20/66/343302066.db2.gz GORVMXAZCKWVJT-ZETCQYMHSA-N 1 0 196.319 2.655 20 0 AFADRO C[C@H]([NH2+]C1CCC1)c1ccsc1 52207345 343302151 /nfs/dbraw/zinc/30/21/51/343302151.db2.gz ZCKRXVXHMDEDRF-QMMMGPOBSA-N 1 0 181.304 2.951 20 0 AFADRO Cc1ccc(C[NH2+]C2CCC2)c(C)c1 52206723 343302268 /nfs/dbraw/zinc/30/22/68/343302268.db2.gz YEJAODNCPLGRIC-UHFFFAOYSA-N 1 0 189.302 2.946 20 0 AFADRO Cc1nc([C@@H](C)[NH2+]C2CCC2)cs1 52208064 343302269 /nfs/dbraw/zinc/30/22/69/343302269.db2.gz GORVMXAZCKWVJT-SSDOTTSWSA-N 1 0 196.319 2.655 20 0 AFADRO Cc1ccsc1C[NH2+]C1CCC1 52206934 343302273 /nfs/dbraw/zinc/30/22/73/343302273.db2.gz JPUUJZUFJDOIGC-UHFFFAOYSA-N 1 0 181.304 2.699 20 0 AFADRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCC1 52206900 343302376 /nfs/dbraw/zinc/30/23/76/343302376.db2.gz LKXWGWFCWOHTIR-UWVGGRQHSA-N 1 0 181.323 2.953 20 0 AFADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCC1 52206902 343302381 /nfs/dbraw/zinc/30/23/81/343302381.db2.gz LKXWGWFCWOHTIR-NXEZZACHSA-N 1 0 181.323 2.953 20 0 AFADRO Cc1cc(C)cc(C[NH2+]C2CCC2)c1 52208936 343302397 /nfs/dbraw/zinc/30/23/97/343302397.db2.gz JOGAYLFGHPTXFW-UHFFFAOYSA-N 1 0 189.302 2.946 20 0 AFADRO Cc1cccc(C[NH2+]C2CCC2)c1C 52208890 343302399 /nfs/dbraw/zinc/30/23/99/343302399.db2.gz ADDFAEUBLOPUNJ-UHFFFAOYSA-N 1 0 189.302 2.946 20 0 AFADRO Cc1nc(C)c(C[NH2+]CC(C)C)s1 52331192 343305996 /nfs/dbraw/zinc/30/59/96/343305996.db2.gz CGMIVMZEQPCXKV-UHFFFAOYSA-N 1 0 198.335 2.506 20 0 AFADRO c1ccc(C2CC2)c(C[NH2+]C2CC2)c1 52886522 343311461 /nfs/dbraw/zinc/31/14/61/343311461.db2.gz KSSLOIMSBBJJQQ-UHFFFAOYSA-N 1 0 187.286 2.816 20 0 AFADRO Cc1ccc(F)c(C[NH2+]CC2CC2)c1 52982941 343312071 /nfs/dbraw/zinc/31/20/71/343312071.db2.gz INXQRIWGGQCATA-UHFFFAOYSA-N 1 0 193.265 2.634 20 0 AFADRO COC[C@@H](C)[NH2+]CCC1CCCCC1 53195478 343313173 /nfs/dbraw/zinc/31/31/73/343313173.db2.gz HNXLESKJBLOBKM-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[NH2+][C@@H](C)c1cccc(C)c1C 53329810 343314551 /nfs/dbraw/zinc/31/45/51/343314551.db2.gz YHWQCQGNMKAODH-NSHDSACASA-N 1 0 177.291 2.974 20 0 AFADRO CC(C)SCC[NH2+][C@H](C)C1CC1 53623257 343314658 /nfs/dbraw/zinc/31/46/58/343314658.db2.gz SWEJQVCCUXZJBN-SECBINFHSA-N 1 0 187.352 2.516 20 0 AFADRO CCC[C@H](C)[NH2+]C[C@@H](C)SC 53646686 343314724 /nfs/dbraw/zinc/31/47/24/343314724.db2.gz SEZZJSWEWOLJIN-DTWKUNHWSA-N 1 0 175.341 2.516 20 0 AFADRO CC(C)SCC[NH2+][C@H](C)C(C)C 53623247 343314771 /nfs/dbraw/zinc/31/47/71/343314771.db2.gz GKFSTNUVRKENFA-SNVBAGLBSA-N 1 0 189.368 2.762 20 0 AFADRO CC(C)SCC[NH2+][C@@H](C)C1CC1 53623256 343314773 /nfs/dbraw/zinc/31/47/73/343314773.db2.gz SWEJQVCCUXZJBN-VIFPVBQESA-N 1 0 187.352 2.516 20 0 AFADRO CCC[C@H](C)[NH2+]CCSC(C)C 53623180 343314777 /nfs/dbraw/zinc/31/47/77/343314777.db2.gz VAIGPPZPRBJIED-JTQLQIEISA-N 1 0 189.368 2.906 20 0 AFADRO CCC[C@@H](C)[NH2+]C[C@H](C)SC 53646688 343314782 /nfs/dbraw/zinc/31/47/82/343314782.db2.gz SEZZJSWEWOLJIN-BDAKNGLRSA-N 1 0 175.341 2.516 20 0 AFADRO CC[C@@H](C)[NH2+]CCSC(C)C 53623125 343314817 /nfs/dbraw/zinc/31/48/17/343314817.db2.gz QSZURRVAKGWTOL-SECBINFHSA-N 1 0 175.341 2.516 20 0 AFADRO CCC[C@@H](C)[NH2+]C[C@@H](C)SC 53646683 343314824 /nfs/dbraw/zinc/31/48/24/343314824.db2.gz SEZZJSWEWOLJIN-RKDXNWHRSA-N 1 0 175.341 2.516 20 0 AFADRO CC(C)SCC[NH2+]Cc1ccco1 53623188 343314849 /nfs/dbraw/zinc/31/48/49/343314849.db2.gz ZCWUIVKAQGRDBH-UHFFFAOYSA-N 1 0 199.319 2.511 20 0 AFADRO CCC[C@@H](C)[NH2+]CCSC(C)C 53623179 343314863 /nfs/dbraw/zinc/31/48/63/343314863.db2.gz VAIGPPZPRBJIED-SNVBAGLBSA-N 1 0 189.368 2.906 20 0 AFADRO CCC(CC)[NH2+]C[C@@H](C)SC 53646659 343314864 /nfs/dbraw/zinc/31/48/64/343314864.db2.gz USTIMPXYBDHXCC-MRVPVSSYSA-N 1 0 175.341 2.516 20 0 AFADRO CC[C@H](C)[NH2+]CCSC(C)C 53623126 343314885 /nfs/dbraw/zinc/31/48/85/343314885.db2.gz QSZURRVAKGWTOL-VIFPVBQESA-N 1 0 175.341 2.516 20 0 AFADRO CCSCCC[NH2+]C1CCCC1 53616466 343314893 /nfs/dbraw/zinc/31/48/93/343314893.db2.gz XCSFWYKKRCDMLJ-UHFFFAOYSA-N 1 0 187.352 2.662 20 0 AFADRO CC(C)SCC[NH2+][C@@H](C)C(C)C 53623248 343314902 /nfs/dbraw/zinc/31/49/02/343314902.db2.gz GKFSTNUVRKENFA-JTQLQIEISA-N 1 0 189.368 2.762 20 0 AFADRO CCC(CC)[NH2+]CCSC(C)C 53623183 343314926 /nfs/dbraw/zinc/31/49/26/343314926.db2.gz KBYAXDPOBFTUST-UHFFFAOYSA-N 1 0 189.368 2.906 20 0 AFADRO CCC(CC)[NH2+]C[C@H](C)SC 53646660 343314936 /nfs/dbraw/zinc/31/49/36/343314936.db2.gz USTIMPXYBDHXCC-QMMMGPOBSA-N 1 0 175.341 2.516 20 0 AFADRO CC(C)C[NH2+]CCSCC(C)C 53619224 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343732001 /nfs/dbraw/zinc/73/20/01/343732001.db2.gz SZMHVFIDEZYARR-LLVKDONJSA-N 1 0 195.693 2.985 20 0 AFADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccco2)CC1 106189559 343737814 /nfs/dbraw/zinc/73/78/14/343737814.db2.gz VVZFFBUMEYIHPW-XYPYZODXSA-N 1 0 193.290 2.948 20 0 AFADRO C[C@H]([NH2+]Cc1ccco1)C(C)(C)C 106789703 343738722 /nfs/dbraw/zinc/73/87/22/343738722.db2.gz LBTSCNQMXNMGTO-VIFPVBQESA-N 1 0 181.279 2.804 20 0 AFADRO C[C@@H]([NH2+]Cc1ccco1)C(C)(C)C 106789704 343738788 /nfs/dbraw/zinc/73/87/88/343738788.db2.gz LBTSCNQMXNMGTO-SECBINFHSA-N 1 0 181.279 2.804 20 0 AFADRO CC(C)(C)[C@H]1[NH2+]CCc2sccc21 106872583 343739038 /nfs/dbraw/zinc/73/90/38/343739038.db2.gz SNDRISGOBKFHLY-JTQLQIEISA-N 1 0 195.331 2.981 20 0 AFADRO CC(C)(C)[C@@H]1[NH2+]CCc2sccc21 106872585 343739224 /nfs/dbraw/zinc/73/92/24/343739224.db2.gz SNDRISGOBKFHLY-SNVBAGLBSA-N 1 0 195.331 2.981 20 0 AFADRO CC(C)(C)c1ccc([C@@H]([NH3+])CF)cc1 107138771 343744141 /nfs/dbraw/zinc/74/41/41/343744141.db2.gz KGJYTCLPDFNJRE-NSHDSACASA-N 1 0 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HCUWZDMBFZHQDS-NSHDSACASA-N 1 0 197.347 2.580 20 0 AFADRO C[C@]1(C[NH2+]C2CC=CC2)CCCS1 306701718 345556574 /nfs/dbraw/zinc/55/65/74/345556574.db2.gz HCUWZDMBFZHQDS-LLVKDONJSA-N 1 0 197.347 2.580 20 0 AFADRO CC(C)CC[N@@H+]1C[C@@H](C)C[C@@H]1C 306703509 345557314 /nfs/dbraw/zinc/55/73/14/345557314.db2.gz ATOIBIOIEBUTOO-QWRGUYRKSA-N 1 0 169.312 2.763 20 0 AFADRO CC(C)CC[N@@H+]1C[C@H](C)C[C@H]1C 306703506 345557358 /nfs/dbraw/zinc/55/73/58/345557358.db2.gz ATOIBIOIEBUTOO-GHMZBOCLSA-N 1 0 169.312 2.763 20 0 AFADRO CC(C)CC[N@@H+]1C[C@H](C)C[C@@H]1C 306703508 345557433 /nfs/dbraw/zinc/55/74/33/345557433.db2.gz ATOIBIOIEBUTOO-MNOVXSKESA-N 1 0 169.312 2.763 20 0 AFADRO CC(C)CC[N@@H+]1C[C@@H](C)C[C@H]1C 306703511 345557482 /nfs/dbraw/zinc/55/74/82/345557482.db2.gz ATOIBIOIEBUTOO-WDEREUQCSA-N 1 0 169.312 2.763 20 0 AFADRO CCC[NH2+][C@@H]1CCC12CCCC2 306709951 345562864 /nfs/dbraw/zinc/56/28/64/345562864.db2.gz MFIRHGRQWBAGJT-SNVBAGLBSA-N 1 0 167.296 2.709 20 0 AFADRO CCCC[N@@H+]1C[C@H](C)CC1(C)C 306714494 345566684 /nfs/dbraw/zinc/56/66/84/345566684.db2.gz QPOIPAUUSIPFQS-SNVBAGLBSA-N 1 0 169.312 2.907 20 0 AFADRO CCCC[N@@H+]1C[C@@H](C)CC1(C)C 306714492 345567045 /nfs/dbraw/zinc/56/70/45/345567045.db2.gz QPOIPAUUSIPFQS-JTQLQIEISA-N 1 0 169.312 2.907 20 0 AFADRO C[C@H]1CCC[C@@H](C[NH2+]C2CSC2)C1 306717225 345569179 /nfs/dbraw/zinc/56/91/79/345569179.db2.gz URIXDDACWBZDGN-VHSXEESVSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H]1CCC[C@H](C[NH2+]C2CSC2)C1 306717226 345569193 /nfs/dbraw/zinc/56/91/93/345569193.db2.gz URIXDDACWBZDGN-ZJUUUORDSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@H]1CCC[C@H](C[NH2+]C2CSC2)C1 306717224 345569369 /nfs/dbraw/zinc/56/93/69/345569369.db2.gz URIXDDACWBZDGN-UWVGGRQHSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H]1CCC[C@@H](C[NH2+]C2CSC2)C1 306717223 345569383 /nfs/dbraw/zinc/56/93/83/345569383.db2.gz URIXDDACWBZDGN-NXEZZACHSA-N 1 0 199.363 2.518 20 0 AFADRO CC[C@H]1CCC[N@@H+]1CC1CCC1 306717306 345569398 /nfs/dbraw/zinc/56/93/98/345569398.db2.gz VDKLWNMLXJZZCV-NSHDSACASA-N 1 0 167.296 2.661 20 0 AFADRO CC[C@@H]1CCC[N@@H+]1CC1CCC1 306717305 345569560 /nfs/dbraw/zinc/56/95/60/345569560.db2.gz VDKLWNMLXJZZCV-LLVKDONJSA-N 1 0 167.296 2.661 20 0 AFADRO CCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C 306719162 345570225 /nfs/dbraw/zinc/57/02/25/345570225.db2.gz XEARFTKGSMYSCY-QWRGUYRKSA-N 1 0 169.312 2.907 20 0 AFADRO CCC[N@@H+]1C[C@@H](C)CCC[C@H]1C 306719163 345570183 /nfs/dbraw/zinc/57/01/83/345570183.db2.gz XEARFTKGSMYSCY-WDEREUQCSA-N 1 0 169.312 2.907 20 0 AFADRO CCC[N@@H+]1C[C@H](C)CCC[C@H]1C 306719160 345570322 /nfs/dbraw/zinc/57/03/22/345570322.db2.gz XEARFTKGSMYSCY-GHMZBOCLSA-N 1 0 169.312 2.907 20 0 AFADRO CCC[N@@H+]1C[C@H](C)CCC[C@@H]1C 306719161 345570351 /nfs/dbraw/zinc/57/03/51/345570351.db2.gz XEARFTKGSMYSCY-MNOVXSKESA-N 1 0 169.312 2.907 20 0 AFADRO CC(C)[NH2+]C[C@@H]1CCCCC1(F)F 306720160 345571681 /nfs/dbraw/zinc/57/16/81/345571681.db2.gz MMPOPKSWQIIHQX-VIFPVBQESA-N 1 0 191.265 2.810 20 0 AFADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306737666 345584038 /nfs/dbraw/zinc/58/40/38/345584038.db2.gz ZHZUHCSOBABFAE-RCWTZXSCSA-N 1 0 179.307 2.563 20 0 AFADRO CC1(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 306737665 345584040 /nfs/dbraw/zinc/58/40/40/345584040.db2.gz ZHZUHCSOBABFAE-LMLFDSFASA-N 1 0 179.307 2.563 20 0 AFADRO CC1(C)C[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306737667 345584225 /nfs/dbraw/zinc/58/42/25/345584225.db2.gz ZHZUHCSOBABFAE-VPOLOUISSA-N 1 0 179.307 2.563 20 0 AFADRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 306738110 345584525 /nfs/dbraw/zinc/58/45/25/345584525.db2.gz AHKYFHITPPEDKI-IONNQARKSA-N 1 0 189.249 2.562 20 0 AFADRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 306738117 345584560 /nfs/dbraw/zinc/58/45/60/345584560.db2.gz AHKYFHITPPEDKI-VXNVDRBHSA-N 1 0 189.249 2.562 20 0 AFADRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 306738098 345584681 /nfs/dbraw/zinc/58/46/81/345584681.db2.gz AHKYFHITPPEDKI-APPZFPTMSA-N 1 0 189.249 2.562 20 0 AFADRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 306738102 345584792 /nfs/dbraw/zinc/58/47/92/345584792.db2.gz AHKYFHITPPEDKI-CBAPKCEASA-N 1 0 189.249 2.562 20 0 AFADRO C1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 306746075 345588703 /nfs/dbraw/zinc/58/87/03/345588703.db2.gz IRAAIEZWOBREIU-WCQGTBRESA-N 1 0 179.307 2.707 20 0 AFADRO C[C@H]1CCCC[N@H+]1CC[C@@H](C)F 306748648 345590295 /nfs/dbraw/zinc/59/02/95/345590295.db2.gz FMOGATXPUNZDOG-ZJUUUORDSA-N 1 0 173.275 2.609 20 0 AFADRO C[C@H](F)CC[N@@H+]1CCCC[C@H]1C 306748645 345590422 /nfs/dbraw/zinc/59/04/22/345590422.db2.gz FMOGATXPUNZDOG-VHSXEESVSA-N 1 0 173.275 2.609 20 0 AFADRO C[C@H](F)CC[N@@H+]1CCCC[C@@H]1C 306748642 345590501 /nfs/dbraw/zinc/59/05/01/345590501.db2.gz FMOGATXPUNZDOG-UWVGGRQHSA-N 1 0 173.275 2.609 20 0 AFADRO C[C@H]1SCC[N@H+](CC2CCC2)[C@@H]1C 306750100 345590678 /nfs/dbraw/zinc/59/06/78/345590678.db2.gz GIPQBCVTNZIFAB-NXEZZACHSA-N 1 0 199.363 2.612 20 0 AFADRO C[C@H]1[C@@H](C)SCC[N@@H+]1CC1CCC1 306750117 345590718 /nfs/dbraw/zinc/59/07/18/345590718.db2.gz GIPQBCVTNZIFAB-VHSXEESVSA-N 1 0 199.363 2.612 20 0 AFADRO C[C@@H]1SCC[N@H+](CC2CCC2)[C@@H]1C 306750131 345590743 /nfs/dbraw/zinc/59/07/43/345590743.db2.gz GIPQBCVTNZIFAB-ZJUUUORDSA-N 1 0 199.363 2.612 20 0 AFADRO C[C@@H]1SCC[N@H+](CC2CCC2)[C@H]1C 306750108 345590776 /nfs/dbraw/zinc/59/07/76/345590776.db2.gz GIPQBCVTNZIFAB-UWVGGRQHSA-N 1 0 199.363 2.612 20 0 AFADRO CCc1cc(NCC2(C)CC2)cc[nH+]1 306749833 345590840 /nfs/dbraw/zinc/59/08/40/345590840.db2.gz IDKGWBICTGBLNR-UHFFFAOYSA-N 1 0 190.290 2.856 20 0 AFADRO CC1=CC[N@H+](CC2CCCC2)CC1 306762112 345597808 /nfs/dbraw/zinc/59/78/08/345597808.db2.gz SNUPLHCDTPKFDN-UHFFFAOYSA-N 1 0 179.307 2.829 20 0 AFADRO Cc1cc(N[C@@H]2CCC2(C)C)cc[nH+]1 306767944 345602368 /nfs/dbraw/zinc/60/23/68/345602368.db2.gz DBOMIUYGIWLSBK-LLVKDONJSA-N 1 0 190.290 2.991 20 0 AFADRO Cc1cc(N[C@H]2CCC2(C)C)cc[nH+]1 306767945 345602393 /nfs/dbraw/zinc/60/23/93/345602393.db2.gz DBOMIUYGIWLSBK-NSHDSACASA-N 1 0 190.290 2.991 20 0 AFADRO CC(C)=CC[N@@H+]1CCSC(C)(C)C1 306768321 345602401 /nfs/dbraw/zinc/60/24/01/345602401.db2.gz YTCSYYGTKMBBOW-UHFFFAOYSA-N 1 0 199.363 2.780 20 0 AFADRO CCCC[N@@H+]1CCC[C@@H](C)[C@H]1C 306768803 345602889 /nfs/dbraw/zinc/60/28/89/345602889.db2.gz ZPYMWHFDPATDIA-GHMZBOCLSA-N 1 0 169.312 2.907 20 0 AFADRO CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C 306768804 345602955 /nfs/dbraw/zinc/60/29/55/345602955.db2.gz ZPYMWHFDPATDIA-MNOVXSKESA-N 1 0 169.312 2.907 20 0 AFADRO CCCC[N@@H+]1CCC[C@H](C)[C@H]1C 306768806 345603005 /nfs/dbraw/zinc/60/30/05/345603005.db2.gz ZPYMWHFDPATDIA-WDEREUQCSA-N 1 0 169.312 2.907 20 0 AFADRO CCCC[N@@H+]1CCC[C@H](C)[C@@H]1C 306768805 345603011 /nfs/dbraw/zinc/60/30/11/345603011.db2.gz ZPYMWHFDPATDIA-QWRGUYRKSA-N 1 0 169.312 2.907 20 0 AFADRO CC(C)C1([NH2+]C2CC(C)(C)C2)CC1 306784074 345611923 /nfs/dbraw/zinc/61/19/23/345611923.db2.gz LOSZKVZZKYXRQV-UHFFFAOYSA-N 1 0 181.323 2.953 20 0 AFADRO CC1(C)CC[C@@H]1[NH2+]C1CCCC1 306784411 345611992 /nfs/dbraw/zinc/61/19/92/345611992.db2.gz IBOWHGDZPLHATB-JTQLQIEISA-N 1 0 167.296 2.707 20 0 AFADRO CC1(C)CC([NH2+]C/C=C/Cl)C1 306789463 345615783 /nfs/dbraw/zinc/61/57/83/345615783.db2.gz TWFDRZQJQVNFFG-ONEGZZNKSA-N 1 0 173.687 2.517 20 0 AFADRO CC[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 306790726 345616655 /nfs/dbraw/zinc/61/66/55/345616655.db2.gz WGDBYJLCDRBUQD-LLVKDONJSA-N 1 0 199.414 2.986 20 0 AFADRO CC[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 306790727 345616968 /nfs/dbraw/zinc/61/69/68/345616968.db2.gz WGDBYJLCDRBUQD-NSHDSACASA-N 1 0 199.414 2.986 20 0 AFADRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)o1 306800025 345622728 /nfs/dbraw/zinc/62/27/28/345622728.db2.gz NPZSYHLHVPKTNA-NXEZZACHSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)o1 306800027 345622817 /nfs/dbraw/zinc/62/28/17/345622817.db2.gz NPZSYHLHVPKTNA-VHSXEESVSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)o1 306800026 345622837 /nfs/dbraw/zinc/62/28/37/345622837.db2.gz NPZSYHLHVPKTNA-UWVGGRQHSA-N 1 0 197.253 2.568 20 0 AFADRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)o1 306800028 345622853 /nfs/dbraw/zinc/62/28/53/345622853.db2.gz NPZSYHLHVPKTNA-ZJUUUORDSA-N 1 0 197.253 2.568 20 0 AFADRO C[C@H]1CCC[N@H+](CCC2CC2)CC1 306800569 345623432 /nfs/dbraw/zinc/62/34/32/345623432.db2.gz OVNZACCMNNUFHO-NSHDSACASA-N 1 0 181.323 2.909 20 0 AFADRO C[C@@H]1CCC[N@H+](CCC2CC2)CC1 306800568 345623537 /nfs/dbraw/zinc/62/35/37/345623537.db2.gz OVNZACCMNNUFHO-LLVKDONJSA-N 1 0 181.323 2.909 20 0 AFADRO C[N@H+](Cc1ccc(Cl)o1)C1CCC1 306802873 345624639 /nfs/dbraw/zinc/62/46/39/345624639.db2.gz UQDHWJSOFHCLDH-UHFFFAOYSA-N 1 0 199.681 2.917 20 0 AFADRO C[C@@H]1CC[C@@]12[NH2+]CCc1sccc12 306814192 345631688 /nfs/dbraw/zinc/63/16/88/345631688.db2.gz BTEBMRRVQXJCBE-LDYMZIIASA-N 1 0 193.315 2.519 20 0 AFADRO C[C@@H]1CC[C@]12[NH2+]CCc1sccc12 306814186 345631756 /nfs/dbraw/zinc/63/17/56/345631756.db2.gz BTEBMRRVQXJCBE-KCJUWKMLSA-N 1 0 193.315 2.519 20 0 AFADRO C[C@H]1CC[C@]12[NH2+]CCc1sccc12 306814190 345631933 /nfs/dbraw/zinc/63/19/33/345631933.db2.gz BTEBMRRVQXJCBE-KWQFWETISA-N 1 0 193.315 2.519 20 0 AFADRO C[C@H]1CC[C@@]12[NH2+]CCc1sccc12 306814185 345631978 /nfs/dbraw/zinc/63/19/78/345631978.db2.gz BTEBMRRVQXJCBE-GZMMTYOYSA-N 1 0 193.315 2.519 20 0 AFADRO C[C@H]1CCC[C@@H]([NH2+][C@H](C)CF)[C@@H]1C 306822023 345636655 /nfs/dbraw/zinc/63/66/55/345636655.db2.gz MAZBIDJRYKLYJL-LNFKQOIKSA-N 1 0 187.302 2.759 20 0 AFADRO CC(C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 306821865 345636667 /nfs/dbraw/zinc/63/66/67/345636667.db2.gz LOPXHQRWVNEVGZ-GRYCIOLGSA-N 1 0 181.323 2.953 20 0 AFADRO C[C@H](CF)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 306822022 345636828 /nfs/dbraw/zinc/63/68/28/345636828.db2.gz MAZBIDJRYKLYJL-GWOFURMSSA-N 1 0 187.302 2.759 20 0 AFADRO CC(C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 306821866 345636878 /nfs/dbraw/zinc/63/68/78/345636878.db2.gz LOPXHQRWVNEVGZ-SDDRHHMPSA-N 1 0 181.323 2.953 20 0 AFADRO C[C@H]1CCC[C@@H]([NH2+][C@H](C)CF)[C@H]1C 306822024 345636921 /nfs/dbraw/zinc/63/69/21/345636921.db2.gz 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/nfs/dbraw/zinc/85/41/65/345854165.db2.gz XKLWFPFLTHAHCE-ZJUUUORDSA-N 1 0 155.285 2.517 20 0 AFADRO CC[C@H](C)[NH2+][C@@H]1CCC1(C)C 307163176 345854714 /nfs/dbraw/zinc/85/47/14/345854714.db2.gz LQJQQOYKOXUENB-DTWKUNHWSA-N 1 0 155.285 2.563 20 0 AFADRO CC1(C)CC([NH2+][C@H]2CC[C@H](F)C2)C1 307173815 345864660 /nfs/dbraw/zinc/86/46/60/345864660.db2.gz DGMOIZYBLSYJLV-IUCAKERBSA-N 1 0 185.286 2.655 20 0 AFADRO CC1(C)CC([NH2+][C@@H]2CC[C@@H](F)C2)C1 307173816 345864778 /nfs/dbraw/zinc/86/47/78/345864778.db2.gz DGMOIZYBLSYJLV-RKDXNWHRSA-N 1 0 185.286 2.655 20 0 AFADRO CC1(C)CC([NH2+][C@@H]2CC[C@H](F)C2)C1 307173814 345864792 /nfs/dbraw/zinc/86/47/92/345864792.db2.gz DGMOIZYBLSYJLV-DTWKUNHWSA-N 1 0 185.286 2.655 20 0 AFADRO CC(C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 307179002 345868532 /nfs/dbraw/zinc/86/85/32/345868532.db2.gz HSOKXTQETXCKCX-NXEZZACHSA-N 1 0 187.352 2.515 20 0 AFADRO CC(C)[NH2+][C@H]1CS[C@H](C(C)C)C1 307179015 345869150 /nfs/dbraw/zinc/86/91/50/345869150.db2.gz 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/nfs/dbraw/zinc/50/20/27/347502027.db2.gz MKLJWHLOQFKOCB-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@@](C)(C[NH2+]CCC1(C)CC1)OC 639118084 347502056 /nfs/dbraw/zinc/50/20/56/347502056.db2.gz MKLJWHLOQFKOCB-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@@H](C[NH2+]CCC1(C)CC1)OC 639119050 347502066 /nfs/dbraw/zinc/50/20/66/347502066.db2.gz UFLSOLFEOSDCLZ-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO FCC[NH2+]C1CCC(=C2CCC2)CC1 639132749 347502519 /nfs/dbraw/zinc/50/25/19/347502519.db2.gz DTTJUSHKMQTHJJ-UHFFFAOYSA-N 1 0 197.297 2.969 20 0 AFADRO CCC[C@@H]([NH2+][C@H](C)CF)C1CCC1 639181983 347503630 /nfs/dbraw/zinc/50/36/30/347503630.db2.gz BZAJYLZTLIAGLZ-MWLCHTKSSA-N 1 0 187.302 2.903 20 0 AFADRO CCC[C@H]([NH2+][C@@H](C)CF)C1CCC1 639181984 347503750 /nfs/dbraw/zinc/50/37/50/347503750.db2.gz BZAJYLZTLIAGLZ-ONGXEEELSA-N 1 0 187.302 2.903 20 0 AFADRO CCC[C@@H]([NH2+][C@@H](C)CF)C1CCC1 639181981 347503841 /nfs/dbraw/zinc/50/38/41/347503841.db2.gz BZAJYLZTLIAGLZ-GXSJLCMTSA-N 1 0 187.302 2.903 20 0 AFADRO CCC[C@H]([NH2+][C@H](C)CF)C1CCC1 639181982 347503883 /nfs/dbraw/zinc/50/38/83/347503883.db2.gz BZAJYLZTLIAGLZ-KOLCDFICSA-N 1 0 187.302 2.903 20 0 AFADRO CC[C@H]([NH2+][C@H](C)CF)[C@@H]1CC1(C)C 639183988 347504405 /nfs/dbraw/zinc/50/44/05/347504405.db2.gz YAXGMBKFRDHKJN-UTLUCORTSA-N 1 0 187.302 2.759 20 0 AFADRO CC[C@H]([NH2+][C@@H](C)CF)[C@H]1CC1(C)C 639183985 347504524 /nfs/dbraw/zinc/50/45/24/347504524.db2.gz YAXGMBKFRDHKJN-AEJSXWLSSA-N 1 0 187.302 2.759 20 0 AFADRO CC[C@H]([NH2+][C@@H](C)CF)[C@@H]1CC1(C)C 639183987 347504659 /nfs/dbraw/zinc/50/46/59/347504659.db2.gz YAXGMBKFRDHKJN-GUBZILKMSA-N 1 0 187.302 2.759 20 0 AFADRO CC[C@H]([NH2+][C@H](C)CF)[C@H]1CC1(C)C 639183986 347504751 /nfs/dbraw/zinc/50/47/51/347504751.db2.gz YAXGMBKFRDHKJN-BBBLOLIVSA-N 1 0 187.302 2.759 20 0 AFADRO CCC1([NH2+]C[C@@H](CC(C)C)OC)CC1 639221162 347506041 /nfs/dbraw/zinc/50/60/41/347506041.db2.gz AHQTVBMHJNPEMC-LLVKDONJSA-N 1 0 199.338 2.580 20 0 AFADRO CCC1([NH2+]C[C@H](CC(C)C)OC)CC1 639221164 347506043 /nfs/dbraw/zinc/50/60/43/347506043.db2.gz AHQTVBMHJNPEMC-NSHDSACASA-N 1 0 199.338 2.580 20 0 AFADRO CC/C=C/C[NH2+]C[C@H](OC)[C@H](C)CC 639226580 347506460 /nfs/dbraw/zinc/50/64/60/347506460.db2.gz GGLLWMXFGPQTOC-LASXONHFSA-N 1 0 199.338 2.603 20 0 AFADRO CC/C=C/C[NH2+]C[C@@H](CC(C)C)OC 639228393 347506533 /nfs/dbraw/zinc/50/65/33/347506533.db2.gz SGQKGTUYZMMRFJ-NNNHXZLVSA-N 1 0 199.338 2.603 20 0 AFADRO CC[C@@H](C)[C@H](C[NH2+]C1(CC)CC1)OC 639224206 347506560 /nfs/dbraw/zinc/50/65/60/347506560.db2.gz XIDLCZLSSDABSI-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CC/C=C\C[NH2+]C[C@@H](CC(C)C)OC 639228397 347506564 /nfs/dbraw/zinc/50/65/64/347506564.db2.gz SGQKGTUYZMMRFJ-ZHRWSRJISA-N 1 0 199.338 2.603 20 0 AFADRO CC/C=C/C[NH2+]C[C@H](OC)[C@@H](C)CC 639226372 347506605 /nfs/dbraw/zinc/50/66/05/347506605.db2.gz GGLLWMXFGPQTOC-BRQSLIGTSA-N 1 0 199.338 2.603 20 0 AFADRO CC[C@H](C)[C@@H](C[NH2+]C1(CC)CC1)OC 639224209 347506613 /nfs/dbraw/zinc/50/66/13/347506613.db2.gz XIDLCZLSSDABSI-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CC/C=C\C[NH2+]C[C@H](OC)[C@H](C)CC 639226582 347506679 /nfs/dbraw/zinc/50/66/79/347506679.db2.gz GGLLWMXFGPQTOC-WZIXFXTNSA-N 1 0 199.338 2.603 20 0 AFADRO CC[C@@H](C)[C@@H](C[NH2+]C1(CC)CC1)OC 639224205 347506721 /nfs/dbraw/zinc/50/67/21/347506721.db2.gz XIDLCZLSSDABSI-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C)[C@H](C[NH2+]C1(CC)CC1)OC 639224208 347506755 /nfs/dbraw/zinc/50/67/55/347506755.db2.gz XIDLCZLSSDABSI-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CC/C=C\C[NH2+]C[C@H](CC(C)C)OC 639228390 347506759 /nfs/dbraw/zinc/50/67/59/347506759.db2.gz SGQKGTUYZMMRFJ-DGMVEKRQSA-N 1 0 199.338 2.603 20 0 AFADRO CC/C=C\C[NH2+]C[C@H](OC)[C@@H](C)CC 639226583 347506780 /nfs/dbraw/zinc/50/67/80/347506780.db2.gz GGLLWMXFGPQTOC-XPOJSHTGSA-N 1 0 199.338 2.603 20 0 AFADRO CCC1(C)C[NH+](C[C@](C)(CC)OC)C1 639254778 347508430 /nfs/dbraw/zinc/50/84/30/347508430.db2.gz AWIALYBWYRXEGF-LBPRGKRZSA-N 1 0 199.338 2.533 20 0 AFADRO CCC1(C)C[NH+](C[C@@](C)(CC)OC)C1 639254777 347508615 /nfs/dbraw/zinc/50/86/15/347508615.db2.gz AWIALYBWYRXEGF-GFCCVEGCSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[C@H](C[N@H+](C)C(C)(C)C)OC 639286685 347509349 /nfs/dbraw/zinc/50/93/49/347509349.db2.gz RXTBQKLIDLSEEU-SNVBAGLBSA-N 1 0 187.327 2.532 20 0 AFADRO CC[C@@](C)(C[N@H+](C)C(C)(C)C)OC 639285230 347509359 /nfs/dbraw/zinc/50/93/59/347509359.db2.gz CAEKXEXDYNDUNK-NSHDSACASA-N 1 0 187.327 2.532 20 0 AFADRO CC[C@](C)(C[N@H+](C)C(C)(C)C)OC 639285229 347509448 /nfs/dbraw/zinc/50/94/48/347509448.db2.gz CAEKXEXDYNDUNK-LLVKDONJSA-N 1 0 187.327 2.532 20 0 AFADRO CCC[C@@H](C[N@H+](C)C(C)(C)C)OC 639286684 347509457 /nfs/dbraw/zinc/50/94/57/347509457.db2.gz RXTBQKLIDLSEEU-JTQLQIEISA-N 1 0 187.327 2.532 20 0 AFADRO C1C[C@@H]2C[C@]2([NH2+]C[C@H]2C[C@@H]3C[C@@H]3C2)C1 639304285 347509834 /nfs/dbraw/zinc/50/98/34/347509834.db2.gz SLCNXJMACDQCGE-NZEXEKPDSA-N 1 0 191.318 2.565 20 0 AFADRO CCC[N@H+](Cc1ccns1)C(C)C 639313012 347510298 /nfs/dbraw/zinc/51/02/98/347510298.db2.gz QDRAVSIJUCNKOX-UHFFFAOYSA-N 1 0 198.335 2.764 20 0 AFADRO CC[C@@](C)(C[NH2+][C@@]1(C)CC1(C)C)OC 639328100 347510977 /nfs/dbraw/zinc/51/09/77/347510977.db2.gz PKBMOKPJMGREHA-RYUDHWBXSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@](C)(C[NH2+][C@]1(C)CC1(C)C)OC 639328101 347511200 /nfs/dbraw/zinc/51/12/00/347511200.db2.gz PKBMOKPJMGREHA-VXGBXAGGSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@](C)(C[NH2+][C@@]1(C)CC1(C)C)OC 639328097 347511167 /nfs/dbraw/zinc/51/11/67/347511167.db2.gz PKBMOKPJMGREHA-NEPJUHHUSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@](C)(C[NH2+][C@]1(C)CC1(C)C)OC 639328099 347511184 /nfs/dbraw/zinc/51/11/84/347511184.db2.gz PKBMOKPJMGREHA-NWDGAFQWSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@@H](C[NH2+][C@@]1(C)CC1(C)C)OC 639329198 347511704 /nfs/dbraw/zinc/51/17/04/347511704.db2.gz VLWGUHDORXHMSM-JQWIXIFHSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@@H](C[NH2+][C@]1(C)CC1(C)C)OC 639329197 347512105 /nfs/dbraw/zinc/51/21/05/347512105.db2.gz VLWGUHDORXHMSM-CMPLNLGQSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@H](C[NH2+][C@]1(C)CC1(C)C)OC 639329202 347512068 /nfs/dbraw/zinc/51/20/68/347512068.db2.gz VLWGUHDORXHMSM-ZYHUDNBSSA-N 1 0 199.338 2.580 20 0 AFADRO CC1CC(C[NH2+][C@@H]2CS[C@H](C)C2)C1 639341132 347512095 /nfs/dbraw/zinc/51/20/95/347512095.db2.gz OLFRHNINCZXWCF-DJRKXVOMSA-N 1 0 199.363 2.516 20 0 AFADRO CCC[C@H](C[NH2+][C@@]1(C)CC1(C)C)OC 639329200 347512123 /nfs/dbraw/zinc/51/21/23/347512123.db2.gz VLWGUHDORXHMSM-PWSUYJOCSA-N 1 0 199.338 2.580 20 0 AFADRO CC1CC(C[NH2+][C@@H]2CS[C@@H](C)C2)C1 639341135 347512534 /nfs/dbraw/zinc/51/25/34/347512534.db2.gz OLFRHNINCZXWCF-YIYTYNFBSA-N 1 0 199.363 2.516 20 0 AFADRO CC1CC(C[NH2+][C@H]2CS[C@H](C)C2)C1 639341134 347512715 /nfs/dbraw/zinc/51/27/15/347512715.db2.gz OLFRHNINCZXWCF-VGRIYTJTSA-N 1 0 199.363 2.516 20 0 AFADRO CC1CC(C[NH2+][C@H]2CS[C@@H](C)C2)C1 639341133 347512867 /nfs/dbraw/zinc/51/28/67/347512867.db2.gz OLFRHNINCZXWCF-QONHTCSSSA-N 1 0 199.363 2.516 20 0 AFADRO CC1(F)CC[NH+](CC2(C)CC2)CC1 639388488 347515711 /nfs/dbraw/zinc/51/57/11/347515711.db2.gz DHNDAKOSZSUKOR-UHFFFAOYSA-N 1 0 185.286 2.611 20 0 AFADRO CC1(F)CC[NH+](Cc2ccco2)CC1 639389112 347515872 /nfs/dbraw/zinc/51/58/72/347515872.db2.gz PWZIEWSCLQDPSK-UHFFFAOYSA-N 1 0 197.253 2.604 20 0 AFADRO CC1(C)C[NH+](C[C@@H]2CC=CCC2)C1 639393383 347515938 /nfs/dbraw/zinc/51/59/38/347515938.db2.gz KZMPPVXOKPZNAQ-LLVKDONJSA-N 1 0 179.307 2.685 20 0 AFADRO CC1(C)C[NH+](C[C@H]2CC=CCC2)C1 639393384 347515952 /nfs/dbraw/zinc/51/59/52/347515952.db2.gz KZMPPVXOKPZNAQ-NSHDSACASA-N 1 0 179.307 2.685 20 0 AFADRO CC(C)=CC[NH+]1CCC(C)(F)CC1 639389193 347516052 /nfs/dbraw/zinc/51/60/52/347516052.db2.gz STSOXMKRTXFUMC-UHFFFAOYSA-N 1 0 185.286 2.777 20 0 AFADRO Cc1sccc1C[NH+]1CC(C)(C)C1 639393071 347516117 /nfs/dbraw/zinc/51/61/17/347516117.db2.gz FPHXKWGJULKDAS-UHFFFAOYSA-N 1 0 195.331 2.898 20 0 AFADRO CCc1ccc(C[NH+]2CC(C)(C)C2)o1 639393653 347516179 /nfs/dbraw/zinc/51/61/79/347516179.db2.gz RCDHOSLABZPFBA-UHFFFAOYSA-N 1 0 193.290 2.684 20 0 AFADRO CC1(C)C[NH+](Cc2ccsc2)C1 639405913 347516512 /nfs/dbraw/zinc/51/65/12/347516512.db2.gz OKSJHOBVQWMDMM-UHFFFAOYSA-N 1 0 181.304 2.590 20 0 AFADRO CC1(C)C[NH+](Cc2cccc(F)c2)C1 639404912 347516691 /nfs/dbraw/zinc/51/66/91/347516691.db2.gz JCNBIQGCYZQECS-UHFFFAOYSA-N 1 0 193.265 2.668 20 0 AFADRO Cc1ccsc1C[NH+]1CC(C)(C)C1 639405866 347516733 /nfs/dbraw/zinc/51/67/33/347516733.db2.gz NEWCEJWYHQQOOK-UHFFFAOYSA-N 1 0 195.331 2.898 20 0 AFADRO Cc1ccc(C[NH+]2CC(C)(C)C2)s1 639402371 347516841 /nfs/dbraw/zinc/51/68/41/347516841.db2.gz CHGBIZGZZMSROJ-UHFFFAOYSA-N 1 0 195.331 2.898 20 0 AFADRO CC1(C)C[NH+](Cc2ccc(F)cc2)C1 639407727 347516891 /nfs/dbraw/zinc/51/68/91/347516891.db2.gz ZQKATYULIYDKJK-UHFFFAOYSA-N 1 0 193.265 2.668 20 0 AFADRO CC1(C)C[NH+](Cc2cccs2)C1 639406593 347516941 /nfs/dbraw/zinc/51/69/41/347516941.db2.gz RJRDTLDHLLTUHE-UHFFFAOYSA-N 1 0 181.304 2.590 20 0 AFADRO CCCC[N@H+](CC)C[C@H]1CCO[C@H]1C 639436953 347517395 /nfs/dbraw/zinc/51/73/95/347517395.db2.gz QEGJKBFOINOXCI-NWDGAFQWSA-N 1 0 199.338 2.533 20 0 AFADRO CCCC[N@H+](CC)C[C@H]1CCO[C@@H]1C 639436955 347517539 /nfs/dbraw/zinc/51/75/39/347517539.db2.gz QEGJKBFOINOXCI-VXGBXAGGSA-N 1 0 199.338 2.533 20 0 AFADRO CCCC[N@H+](CC)C[C@@H]1CCO[C@@H]1C 639436952 347517543 /nfs/dbraw/zinc/51/75/43/347517543.db2.gz QEGJKBFOINOXCI-NEPJUHHUSA-N 1 0 199.338 2.533 20 0 AFADRO CCCC[N@H+](CC)C[C@@H]1CCO[C@H]1C 639436954 347517587 /nfs/dbraw/zinc/51/75/87/347517587.db2.gz QEGJKBFOINOXCI-RYUDHWBXSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@@H]1CCO[C@H]1C 639446757 347517964 /nfs/dbraw/zinc/51/79/64/347517964.db2.gz BGULAHYNBROIBE-SRVKXCTJSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[NH+](CCC)C[C@@H]1CCO[C@@H]1C 639451611 347518127 /nfs/dbraw/zinc/51/81/27/347518127.db2.gz SDVBGDYGUSJSIP-NEPJUHHUSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@H]1CCO[C@H]1C 639446755 347518081 /nfs/dbraw/zinc/51/80/81/347518081.db2.gz BGULAHYNBROIBE-SDDRHHMPSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@@H]1CCO[C@@H]1C 639446759 347518153 /nfs/dbraw/zinc/51/81/53/347518153.db2.gz BGULAHYNBROIBE-TUAOUCFPSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[NH+](CCC)C[C@H]1CCO[C@@H]1C 639451780 347518788 /nfs/dbraw/zinc/51/87/88/347518788.db2.gz SDVBGDYGUSJSIP-VXGBXAGGSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[NH+](CCC)C[C@@H]1CCO[C@H]1C 639451779 347519069 /nfs/dbraw/zinc/51/90/69/347519069.db2.gz SDVBGDYGUSJSIP-RYUDHWBXSA-N 1 0 199.338 2.533 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@H]1CCO[C@H]1C 639530831 347522279 /nfs/dbraw/zinc/52/22/79/347522279.db2.gz LNYUBOFZLGGTKA-WDEREUQCSA-N 1 0 199.338 2.532 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@@H]1CCO[C@H]1C 639530830 347522491 /nfs/dbraw/zinc/52/24/91/347522491.db2.gz LNYUBOFZLGGTKA-QWRGUYRKSA-N 1 0 199.338 2.532 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@@H]1CCO[C@@H]1C 639530829 347522600 /nfs/dbraw/zinc/52/26/00/347522600.db2.gz LNYUBOFZLGGTKA-MNOVXSKESA-N 1 0 199.338 2.532 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@H]1CCO[C@@H]1C 639530828 347522737 /nfs/dbraw/zinc/52/27/37/347522737.db2.gz LNYUBOFZLGGTKA-GHMZBOCLSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)[NH+](Cc1ccns1)C(C)C 639559750 347524673 /nfs/dbraw/zinc/52/46/73/347524673.db2.gz ZUEJNTNAEXAPBU-UHFFFAOYSA-N 1 0 198.335 2.762 20 0 AFADRO CC[C@@H]([NH2+]CC(C)=O)C1CCCCC1 639571923 347525296 /nfs/dbraw/zinc/52/52/96/347525296.db2.gz WEUOBRNEQYKXER-GFCCVEGCSA-N 1 0 197.322 2.524 20 0 AFADRO CCCC[C@H]([NH2+]CC(C)=O)C1CCC1 639578943 347525407 /nfs/dbraw/zinc/52/54/07/347525407.db2.gz VKFWFCYTOKWYIZ-LBPRGKRZSA-N 1 0 197.322 2.524 20 0 AFADRO CCCC[C@@H]([NH2+]CC(C)=O)C1CCC1 639578942 347525570 /nfs/dbraw/zinc/52/55/70/347525570.db2.gz VKFWFCYTOKWYIZ-GFCCVEGCSA-N 1 0 197.322 2.524 20 0 AFADRO CC[C@H]([NH2+]CC(C)=O)C1CCCCC1 639571924 347525975 /nfs/dbraw/zinc/52/59/75/347525975.db2.gz WEUOBRNEQYKXER-LBPRGKRZSA-N 1 0 197.322 2.524 20 0 AFADRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)=O 639580934 347526342 /nfs/dbraw/zinc/52/63/42/347526342.db2.gz QTJBAYBHBNGECJ-RYUDHWBXSA-N 1 0 197.322 2.524 20 0 AFADRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(C)=O 639589992 347526508 /nfs/dbraw/zinc/52/65/08/347526508.db2.gz RVMOQEHESWTWSI-NWDGAFQWSA-N 1 0 197.322 2.524 20 0 AFADRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)=O 639580932 347526526 /nfs/dbraw/zinc/52/65/26/347526526.db2.gz QTJBAYBHBNGECJ-NEPJUHHUSA-N 1 0 197.322 2.524 20 0 AFADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)=O 639589991 347526664 /nfs/dbraw/zinc/52/66/64/347526664.db2.gz RVMOQEHESWTWSI-NEPJUHHUSA-N 1 0 197.322 2.524 20 0 AFADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(C)=O 639589994 347526739 /nfs/dbraw/zinc/52/67/39/347526739.db2.gz RVMOQEHESWTWSI-VXGBXAGGSA-N 1 0 197.322 2.524 20 0 AFADRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)=O 639580933 347526749 /nfs/dbraw/zinc/52/67/49/347526749.db2.gz QTJBAYBHBNGECJ-NWDGAFQWSA-N 1 0 197.322 2.524 20 0 AFADRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)=O 639580935 347526777 /nfs/dbraw/zinc/52/67/77/347526777.db2.gz QTJBAYBHBNGECJ-VXGBXAGGSA-N 1 0 197.322 2.524 20 0 AFADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(C)=O 639589993 347526780 /nfs/dbraw/zinc/52/67/80/347526780.db2.gz RVMOQEHESWTWSI-RYUDHWBXSA-N 1 0 197.322 2.524 20 0 AFADRO CCC[N@H+](C[C@H]1CCO[C@@H]1C)C(C)C 639750115 347533492 /nfs/dbraw/zinc/53/34/92/347533492.db2.gz TYBYPOXBUIIRPW-VXGBXAGGSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[N@H+](C[C@@H]1CCO[C@H]1C)C(C)C 639750114 347533580 /nfs/dbraw/zinc/53/35/80/347533580.db2.gz TYBYPOXBUIIRPW-RYUDHWBXSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[N@H+](C[C@H]1CCO[C@H]1C)C(C)C 639750113 347533621 /nfs/dbraw/zinc/53/36/21/347533621.db2.gz TYBYPOXBUIIRPW-NWDGAFQWSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[N@H+](C[C@@H]1CCO[C@@H]1C)C(C)C 639750112 347533895 /nfs/dbraw/zinc/53/38/95/347533895.db2.gz TYBYPOXBUIIRPW-NEPJUHHUSA-N 1 0 199.338 2.532 20 0 AFADRO CC[C@H](C)[N@H+](CC)C[C@@H]1CCO[C@H]1C 639783878 347534562 /nfs/dbraw/zinc/53/45/62/347534562.db2.gz FEICVIHKTZLFGQ-SRVKXCTJSA-N 1 0 199.338 2.532 20 0 AFADRO CC[C@H](C)[N@H+](CC)C[C@H]1CCO[C@@H]1C 639783876 347534748 /nfs/dbraw/zinc/53/47/48/347534748.db2.gz FEICVIHKTZLFGQ-QJPTWQEYSA-N 1 0 199.338 2.532 20 0 AFADRO CC[C@H](C)[N@H+](CC)Cc1ccns1 639783627 347534971 /nfs/dbraw/zinc/53/49/71/347534971.db2.gz ISOVBQOCFBZALV-VIFPVBQESA-N 1 0 198.335 2.764 20 0 AFADRO CC[C@@H](C)[N@H+](CC)Cc1ccns1 639783625 347535007 /nfs/dbraw/zinc/53/50/07/347535007.db2.gz ISOVBQOCFBZALV-SECBINFHSA-N 1 0 198.335 2.764 20 0 AFADRO CC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 639925554 347540146 /nfs/dbraw/zinc/54/01/46/347540146.db2.gz BIWUDYBAFDRTEN-JTQLQIEISA-N 1 0 179.263 2.682 20 0 AFADRO CC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 639925555 347540139 /nfs/dbraw/zinc/54/01/39/347540139.db2.gz BIWUDYBAFDRTEN-SNVBAGLBSA-N 1 0 179.263 2.682 20 0 AFADRO CC[NH+]1CCC2(CCSCC2)CC1 639979929 347542094 /nfs/dbraw/zinc/54/20/94/347542094.db2.gz SZLKWFMHRJVFOK-UHFFFAOYSA-N 1 0 199.363 2.616 20 0 AFADRO CC1(F)CC[NH+](CCCCF)CC1 640071484 347544422 /nfs/dbraw/zinc/54/44/22/347544422.db2.gz OREHNJHHTINFBL-UHFFFAOYSA-N 1 0 191.265 2.560 20 0 AFADRO CC1(F)CC[NH+](C2CCCC2)CC1 640071423 347544591 /nfs/dbraw/zinc/54/45/91/347544591.db2.gz MHJIZQJHAYQIET-UHFFFAOYSA-N 1 0 185.286 2.753 20 0 AFADRO CC[C@@H](C)[NH+]1CCC(C)(F)CC1 640071267 347544383 /nfs/dbraw/zinc/54/43/83/347544383.db2.gz HJZCWMRSDHWWHJ-SECBINFHSA-N 1 0 173.275 2.609 20 0 AFADRO CC[C@H](C)[NH+]1CCC(C)(F)CC1 640071268 347544712 /nfs/dbraw/zinc/54/47/12/347544712.db2.gz HJZCWMRSDHWWHJ-VIFPVBQESA-N 1 0 173.275 2.609 20 0 AFADRO CCCC[NH+]1CCC(C)(F)CC1 640071153 347544725 /nfs/dbraw/zinc/54/47/25/347544725.db2.gz YRIPEDFRAWCHRG-UHFFFAOYSA-N 1 0 173.275 2.611 20 0 AFADRO CCC[C@@H](C)[NH+]1CCC(C)(F)CC1 640072409 347545175 /nfs/dbraw/zinc/54/51/75/347545175.db2.gz ZPHCEDTXMSKHTB-SNVBAGLBSA-N 1 0 187.302 2.999 20 0 AFADRO CC1(F)CC[NH+](CC2CCC2)CC1 640073249 347545181 /nfs/dbraw/zinc/54/51/81/347545181.db2.gz MQUZJMXLHXLZRA-UHFFFAOYSA-N 1 0 185.286 2.611 20 0 AFADRO CC1(F)CC[NH+]([C@@H]2C=CCCC2)CC1 640072664 347545184 /nfs/dbraw/zinc/54/51/84/347545184.db2.gz LTFIIQUVKYUDPN-LLVKDONJSA-N 1 0 197.297 2.919 20 0 AFADRO CCC[C@H](C)[NH+]1CCC(C)(F)CC1 640072398 347545224 /nfs/dbraw/zinc/54/52/24/347545224.db2.gz ZPHCEDTXMSKHTB-JTQLQIEISA-N 1 0 187.302 2.999 20 0 AFADRO CC1(F)CC[NH+](CC2=CCCC2)CC1 640074609 347545234 /nfs/dbraw/zinc/54/52/34/347545234.db2.gz VCKWEXNVLXWNRG-UHFFFAOYSA-N 1 0 197.297 2.921 20 0 AFADRO CC1(F)CC[NH+](CCC2CC2)CC1 640073283 347545264 /nfs/dbraw/zinc/54/52/64/347545264.db2.gz NUYUZFFNJFAGQC-UHFFFAOYSA-N 1 0 185.286 2.611 20 0 AFADRO CC1(F)CC[NH+]([C@H]2C=CCCC2)CC1 640072677 347545267 /nfs/dbraw/zinc/54/52/67/347545267.db2.gz LTFIIQUVKYUDPN-NSHDSACASA-N 1 0 197.297 2.919 20 0 AFADRO CC1(F)CC[NH+](CC2CC=CC2)CC1 640075187 347545277 /nfs/dbraw/zinc/54/52/77/347545277.db2.gz ZQRXOTADYXMZCR-UHFFFAOYSA-N 1 0 197.297 2.777 20 0 AFADRO CCC[NH2+]Cc1ccc(SC)o1 641701533 347579354 /nfs/dbraw/zinc/57/93/54/347579354.db2.gz UBVOYEFVPFAZDM-UHFFFAOYSA-N 1 0 185.292 2.501 20 0 AFADRO CCCC[NH2+]Cc1ccc(SC)o1 641700358 347579431 /nfs/dbraw/zinc/57/94/31/347579431.db2.gz CSVZDEMQLVCARK-UHFFFAOYSA-N 1 0 199.319 2.891 20 0 AFADRO CC[C@@H](C)[NH2+]Cc1ccc(SC)o1 641701244 347579438 /nfs/dbraw/zinc/57/94/38/347579438.db2.gz QPLOIHBZRWWOKM-MRVPVSSYSA-N 1 0 199.319 2.890 20 0 AFADRO CC[C@H](C)[NH2+]Cc1ccc(SC)o1 641701245 347579673 /nfs/dbraw/zinc/57/96/73/347579673.db2.gz QPLOIHBZRWWOKM-QMMMGPOBSA-N 1 0 199.319 2.890 20 0 AFADRO CSc1ccc(C[NH2+]CC2CC2)o1 641705380 347580137 /nfs/dbraw/zinc/58/01/37/347580137.db2.gz PQLCHJFSLJZAQH-UHFFFAOYSA-N 1 0 197.303 2.501 20 0 AFADRO CSc1ccc(C[NH2+]CC(C)C)o1 641701997 347580393 /nfs/dbraw/zinc/58/03/93/347580393.db2.gz ZUXQLNASSLPIKU-UHFFFAOYSA-N 1 0 199.319 2.747 20 0 AFADRO CC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 641903023 347585953 /nfs/dbraw/zinc/58/59/53/347585953.db2.gz SPRAXNBDMWAAHY-JTQLQIEISA-N 1 0 193.290 2.708 20 0 AFADRO CC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 641854150 347586044 /nfs/dbraw/zinc/58/60/44/347586044.db2.gz LITZXTHFZSBSAS-MRVPVSSYSA-N 1 0 199.244 2.978 20 0 AFADRO CC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 641854157 347586134 /nfs/dbraw/zinc/58/61/34/347586134.db2.gz LITZXTHFZSBSAS-QMMMGPOBSA-N 1 0 199.244 2.978 20 0 AFADRO CC[N@H+](C)[C@H](C)c1ccc(OC)cc1 641903024 347586373 /nfs/dbraw/zinc/58/63/73/347586373.db2.gz SPRAXNBDMWAAHY-SNVBAGLBSA-N 1 0 193.290 2.708 20 0 AFADRO CC(C)C[N@H+](Cc1ccco1)C1CC1 641979914 347587342 /nfs/dbraw/zinc/58/73/42/347587342.db2.gz LMJIQIHOBVBINA-UHFFFAOYSA-N 1 0 193.290 2.900 20 0 AFADRO CCCC[N@H+](CC)Cc1cc(C)no1 641979609 347587361 /nfs/dbraw/zinc/58/73/61/347587361.db2.gz OWULDUKQCIHHJL-UHFFFAOYSA-N 1 0 196.294 2.605 20 0 AFADRO CCC[N@H+](CC(C)C)CC1CC1 641979563 347587467 /nfs/dbraw/zinc/58/74/67/347587467.db2.gz CBEGIKQKZGOIAF-UHFFFAOYSA-N 1 0 169.312 2.764 20 0 AFADRO CC(C)[N@H+](Cc1ccco1)C1CC1 641979930 347587632 /nfs/dbraw/zinc/58/76/32/347587632.db2.gz ONBYQOKWTMRDMJ-UHFFFAOYSA-N 1 0 179.263 2.652 20 0 AFADRO C[C@@H]([N@H+](C)C[C@@H]1CCCO1)C(C)(C)C 642095061 347588583 /nfs/dbraw/zinc/58/85/83/347588583.db2.gz JVRPDKWPQJQSKJ-MNOVXSKESA-N 1 0 199.338 2.532 20 0 AFADRO CC[N@H+](Cc1cccs1)C1CC1 642094182 347588741 /nfs/dbraw/zinc/58/87/41/347588741.db2.gz HUBLSLFYUBZWLG-UHFFFAOYSA-N 1 0 181.304 2.732 20 0 AFADRO CC(C)C[N@H+](CCOC(C)C)C1CC1 642094260 347588758 /nfs/dbraw/zinc/58/87/58/347588758.db2.gz SSTWSADQTSLNIF-UHFFFAOYSA-N 1 0 199.338 2.532 20 0 AFADRO C[C@H]([N@H+](C)C[C@@H]1CCCO1)C(C)(C)C 642095063 347588816 /nfs/dbraw/zinc/58/88/16/347588816.db2.gz JVRPDKWPQJQSKJ-QWRGUYRKSA-N 1 0 199.338 2.532 20 0 AFADRO C[C@@H]([N@H+](C)C[C@H]1CCCO1)C(C)(C)C 642095060 347588866 /nfs/dbraw/zinc/58/88/66/347588866.db2.gz JVRPDKWPQJQSKJ-GHMZBOCLSA-N 1 0 199.338 2.532 20 0 AFADRO C[C@H]([N@H+](C)C[C@H]1CCCO1)C(C)(C)C 642095064 347588909 /nfs/dbraw/zinc/58/89/09/347588909.db2.gz JVRPDKWPQJQSKJ-WDEREUQCSA-N 1 0 199.338 2.532 20 0 AFADRO CC[N@H+](Cc1cccc(F)c1)C1CC1 642095760 347589476 /nfs/dbraw/zinc/58/94/76/347589476.db2.gz ZVQHNMISELSVBF-UHFFFAOYSA-N 1 0 193.265 2.810 20 0 AFADRO CC[N@H+](Cc1cccc(C)c1)C1CC1 642095743 347589539 /nfs/dbraw/zinc/58/95/39/347589539.db2.gz WITDYOYOOHGMIH-UHFFFAOYSA-N 1 0 189.302 2.979 20 0 AFADRO C[C@H]([N@H+](C)Cc1ccno1)C(C)(C)C 642103061 347589552 /nfs/dbraw/zinc/58/95/52/347589552.db2.gz CEPTYJKCQZRHNO-VIFPVBQESA-N 1 0 196.294 2.541 20 0 AFADRO CC[N@H+](CCc1ccccc1)C1CC1 642095742 347589662 /nfs/dbraw/zinc/58/96/62/347589662.db2.gz VEHRGLUPAGLMPN-UHFFFAOYSA-N 1 0 189.302 2.713 20 0 AFADRO CC[N@H+](Cc1ccc(C)cc1)C1CC1 642097360 347589704 /nfs/dbraw/zinc/58/97/04/347589704.db2.gz HOEDHKQZMSSSST-UHFFFAOYSA-N 1 0 189.302 2.979 20 0 AFADRO C[N@H+](CCCc1ccccc1)C1CC1 642120943 347589744 /nfs/dbraw/zinc/58/97/44/347589744.db2.gz HDUIQYDAWXGSJZ-UHFFFAOYSA-N 1 0 189.302 2.713 20 0 AFADRO Cc1ccc(C)c(C[N@@H+](C)C2CC2)c1 642189479 347590139 /nfs/dbraw/zinc/59/01/39/347590139.db2.gz NJIVFYVFQVUCPM-UHFFFAOYSA-N 1 0 189.302 2.898 20 0 AFADRO CCCC[N@H+](CCOC(C)C)C1CC1 642189516 347590243 /nfs/dbraw/zinc/59/02/43/347590243.db2.gz IEUBQRRGBBRQKN-UHFFFAOYSA-N 1 0 199.338 2.676 20 0 AFADRO CCCC[N@H+](CC)Cc1cccnc1 642187975 347590301 /nfs/dbraw/zinc/59/03/01/347590301.db2.gz FTHWXMDJWLLLPY-UHFFFAOYSA-N 1 0 192.306 2.704 20 0 AFADRO CCC[NH+](CCC)CC[C@@H]1CCCO1 642242941 347591423 /nfs/dbraw/zinc/59/14/23/347591423.db2.gz SUFSWNRNHDXGJQ-LBPRGKRZSA-N 1 0 199.338 2.678 20 0 AFADRO CC[NH+](CC)CCc1ccc(F)cc1 642242406 347591495 /nfs/dbraw/zinc/59/14/95/347591495.db2.gz MWVLWNWIHFYYOJ-UHFFFAOYSA-N 1 0 195.281 2.710 20 0 AFADRO CCC[NH+](CCC)CC[C@H]1CCCO1 642242940 347591504 /nfs/dbraw/zinc/59/15/04/347591504.db2.gz SUFSWNRNHDXGJQ-GFCCVEGCSA-N 1 0 199.338 2.678 20 0 AFADRO CC[NH+](CC)CCc1ccccc1F 642242793 347591581 /nfs/dbraw/zinc/59/15/81/347591581.db2.gz YUNGTAFXBNMZIG-UHFFFAOYSA-N 1 0 195.281 2.710 20 0 AFADRO CCC[NH+](CCC)CCCOCC 642242415 347591593 /nfs/dbraw/zinc/59/15/93/347591593.db2.gz OICSZNATLUKFET-UHFFFAOYSA-N 1 0 187.327 2.535 20 0 AFADRO CC(C)C[NH+](CC(C)C)C1CC1 642233816 347591599 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/nfs/dbraw/zinc/17/23/26/352172326.db2.gz GGBCYQZALORGRY-QJPTWQEYSA-N 1 0 191.318 2.873 20 0 AFADRO CC1CC([NH2+][C@H](C)[C@@H]2CC23CC3)C1 527872552 352172338 /nfs/dbraw/zinc/17/23/38/352172338.db2.gz WDJUYRKMDFCXLS-DJRKXVOMSA-N 1 0 179.307 2.563 20 0 AFADRO C[C@@H]([NH2+]CC1(C)CCC1)[C@@H]1CC12CC2 527873936 352172357 /nfs/dbraw/zinc/17/23/57/352172357.db2.gz XYFIQSFZAZOMEJ-MNOVXSKESA-N 1 0 193.334 2.955 20 0 AFADRO C[C@H](F)CC[NH2+][C@H](C)[C@@H]1CC12CC2 527898717 352172371 /nfs/dbraw/zinc/17/23/71/352172371.db2.gz AGLMPRGDXGBADM-AEJSXWLSSA-N 1 0 185.286 2.513 20 0 AFADRO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)[C@H]1CC12CC2 527894275 352172403 /nfs/dbraw/zinc/17/24/03/352172403.db2.gz MMMPQQKHBOHPCJ-IRCOFANPSA-N 1 0 193.334 2.953 20 0 AFADRO C[C@H]([NH2+]C1(C2CC2)CC1)[C@H]1CC12CC2 527888570 352172433 /nfs/dbraw/zinc/17/24/33/352172433.db2.gz RRXDJIYGDRDFLU-GXSJLCMTSA-N 1 0 191.318 2.707 20 0 AFADRO CCC1(C[NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 527870948 352172463 /nfs/dbraw/zinc/17/24/63/352172463.db2.gz MHOCAAKGMYWEBX-QWRGUYRKSA-N 1 0 193.334 2.955 20 0 AFADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC12CC2 527863410 352172504 /nfs/dbraw/zinc/17/25/04/352172504.db2.gz ARCWJXDHSNWYRW-WYUUTHIRSA-N 1 0 193.334 2.953 20 0 AFADRO C[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1CC12CC2 527891965 352172520 /nfs/dbraw/zinc/17/25/20/352172520.db2.gz FGJAEQUCBFIAOC-MNOVXSKESA-N 1 0 193.334 2.955 20 0 AFADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1CC12CC2 527868079 352172525 /nfs/dbraw/zinc/17/25/25/352172525.db2.gz LLNAAKCYKMNXPU-UWVGGRQHSA-N 1 0 179.307 2.565 20 0 AFADRO C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1CC12CC2 527873939 352172604 /nfs/dbraw/zinc/17/26/04/352172604.db2.gz XYFIQSFZAZOMEJ-QWRGUYRKSA-N 1 0 193.334 2.955 20 0 AFADRO C[C@H](F)CC[NH2+][C@H](C)[C@H]1CC12CC2 527898729 352172624 /nfs/dbraw/zinc/17/26/24/352172624.db2.gz AGLMPRGDXGBADM-IVZWLZJFSA-N 1 0 185.286 2.513 20 0 AFADRO CC(C)=CC[NH2+][C@@H](C)[C@H]1CC12CC2 527893148 352172627 /nfs/dbraw/zinc/17/26/27/352172627.db2.gz MQEKMUDJGFUDRJ-WDEREUQCSA-N 1 0 179.307 2.731 20 0 AFADRO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CC12CC2 527893146 352172645 /nfs/dbraw/zinc/17/26/45/352172645.db2.gz MQEKMUDJGFUDRJ-QWRGUYRKSA-N 1 0 179.307 2.731 20 0 AFADRO C[C@H]([NH2+]CCC1(C)CC1)[C@H]1CC12CC2 527891973 352172648 /nfs/dbraw/zinc/17/26/48/352172648.db2.gz FGJAEQUCBFIAOC-WDEREUQCSA-N 1 0 193.334 2.955 20 0 AFADRO C[C@@H]([NH2+]CCCC1CC1)[C@H]1CC12CC2 527870050 352172651 /nfs/dbraw/zinc/17/26/51/352172651.db2.gz ONDQQLRKBFFSNC-ZYHUDNBSSA-N 1 0 193.334 2.955 20 0 AFADRO CCC1(C[NH2+][C@@H](C)[C@H]2CC23CC3)CC1 527870949 352172655 /nfs/dbraw/zinc/17/26/55/352172655.db2.gz MHOCAAKGMYWEBX-WDEREUQCSA-N 1 0 193.334 2.955 20 0 AFADRO CCC1(C[NH2+][C@H](C)[C@@H]2CC23CC3)CC1 527870947 352172657 /nfs/dbraw/zinc/17/26/57/352172657.db2.gz MHOCAAKGMYWEBX-MNOVXSKESA-N 1 0 193.334 2.955 20 0 AFADRO C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1CC12CC2 527866540 352172660 /nfs/dbraw/zinc/17/26/60/352172660.db2.gz IYUYBVINQOPPTK-AXFHLTTASA-N 1 0 193.334 2.811 20 0 AFADRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1CC12CC2 527866543 352172664 /nfs/dbraw/zinc/17/26/64/352172664.db2.gz IYUYBVINQOPPTK-DCAQKATOSA-N 1 0 193.334 2.811 20 0 AFADRO C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CC12CC2 527873934 352172671 /nfs/dbraw/zinc/17/26/71/352172671.db2.gz XYFIQSFZAZOMEJ-GHMZBOCLSA-N 1 0 193.334 2.955 20 0 AFADRO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)[C@@H]1CC12CC2 527894276 352172752 /nfs/dbraw/zinc/17/27/52/352172752.db2.gz MMMPQQKHBOHPCJ-WHOHXGKFSA-N 1 0 193.334 2.953 20 0 AFADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1CC12CC2 527902627 352173015 /nfs/dbraw/zinc/17/30/15/352173015.db2.gz FXUMRHLEAQTJQU-USZNOCQGSA-N 1 0 193.334 2.811 20 0 AFADRO C[C@H]([NH2+][C@H](C)C1CC1)[C@H]1CC12CC2 527901870 352173056 /nfs/dbraw/zinc/17/30/56/352173056.db2.gz GPUIPCHPEJZMDC-WCABBAIRSA-N 1 0 179.307 2.563 20 0 AFADRO C[C@@H]([NH2+][C@H]1CC1(C)C)[C@H]1CC12CC2 527907802 352173496 /nfs/dbraw/zinc/17/34/96/352173496.db2.gz IWIAPWZXMICEAZ-BBBLOLIVSA-N 1 0 179.307 2.563 20 0 AFADRO C[C@H]([NH2+][C@H]1C[C@@H]2C[C@@H]2C1)[C@@H]1CC12CC2 527911110 352173076 /nfs/dbraw/zinc/17/30/76/352173076.db2.gz QSYGBINTKDPRKN-SVNGYHJRSA-N 1 0 191.318 2.563 20 0 AFADRO C[C@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CC12CC2 527916038 352173117 /nfs/dbraw/zinc/17/31/17/352173117.db2.gz WPJNCWCNNDEBAG-ONGXEEELSA-N 1 0 193.334 2.953 20 0 AFADRO CCC[C@@H](C[NH2+]C1CC(C)C1)OCC 527926620 352173187 /nfs/dbraw/zinc/17/31/87/352173187.db2.gz BAUHDZAMBOQPQZ-MCIGGMRASA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@H](C[NH2+]C1CC(C)C1)OCC 527926616 352173212 /nfs/dbraw/zinc/17/32/12/352173212.db2.gz BAUHDZAMBOQPQZ-HTAVTVPLSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H](C)[NH+]1CCC(CCOC)CC1 527936238 352173222 /nfs/dbraw/zinc/17/32/22/352173222.db2.gz PMAQBYSDNATXCH-LLVKDONJSA-N 1 0 199.338 2.533 20 0 AFADRO C[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)C1CC1 527901855 352173311 /nfs/dbraw/zinc/17/33/11/352173311.db2.gz GPUIPCHPEJZMDC-ATZCPNFKSA-N 1 0 179.307 2.563 20 0 AFADRO C[C@H]([NH2+][C@H]1CC1(C)C)[C@H]1CC12CC2 527907799 352173241 /nfs/dbraw/zinc/17/32/41/352173241.db2.gz IWIAPWZXMICEAZ-AEJSXWLSSA-N 1 0 179.307 2.563 20 0 AFADRO CC[C@H](C)[NH+]1CCC(CCOC)CC1 527936239 352173298 /nfs/dbraw/zinc/17/32/98/352173298.db2.gz PMAQBYSDNATXCH-NSHDSACASA-N 1 0 199.338 2.533 20 0 AFADRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1CC12CC2 527902634 352173329 /nfs/dbraw/zinc/17/33/29/352173329.db2.gz FXUMRHLEAQTJQU-WYUUTHIRSA-N 1 0 193.334 2.811 20 0 AFADRO CC(C)C1([NH2+][C@H](C)[C@H]2CC23CC3)CC1 527904391 352173348 /nfs/dbraw/zinc/17/33/48/352173348.db2.gz WNODBUZVLXVGAH-GHMZBOCLSA-N 1 0 193.334 2.953 20 0 AFADRO CC(C)C1([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 527904392 352173354 /nfs/dbraw/zinc/17/33/54/352173354.db2.gz WNODBUZVLXVGAH-MNOVXSKESA-N 1 0 193.334 2.953 20 0 AFADRO CC(C)C1([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 527904393 352173366 /nfs/dbraw/zinc/17/33/66/352173366.db2.gz WNODBUZVLXVGAH-QWRGUYRKSA-N 1 0 193.334 2.953 20 0 AFADRO CCC1([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 527905539 352173394 /nfs/dbraw/zinc/17/33/94/352173394.db2.gz UHBJOTIUHQHLIF-UWVGGRQHSA-N 1 0 179.307 2.707 20 0 AFADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@H]1CC12CC2 527902629 352173415 /nfs/dbraw/zinc/17/34/15/352173415.db2.gz FXUMRHLEAQTJQU-WHOHXGKFSA-N 1 0 193.334 2.811 20 0 AFADRO C[C@@H]([NH2+][C@H](C)[C@@H]1CC12CC2)C1CC1 527901865 352173418 /nfs/dbraw/zinc/17/34/18/352173418.db2.gz GPUIPCHPEJZMDC-KKZNHRDASA-N 1 0 179.307 2.563 20 0 AFADRO C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CC12CC2 527907805 352173422 /nfs/dbraw/zinc/17/34/22/352173422.db2.gz IWIAPWZXMICEAZ-GUBZILKMSA-N 1 0 179.307 2.563 20 0 AFADRO C[C@@H]([NH2+]C1CC(C)(C)C1)[C@H]1CC12CC2 527916037 352173436 /nfs/dbraw/zinc/17/34/36/352173436.db2.gz WPJNCWCNNDEBAG-MWLCHTKSSA-N 1 0 193.334 2.953 20 0 AFADRO C[C@H]([NH2+]C1CC(C)(C)C1)[C@H]1CC12CC2 527916033 352173440 /nfs/dbraw/zinc/17/34/40/352173440.db2.gz WPJNCWCNNDEBAG-GXSJLCMTSA-N 1 0 193.334 2.953 20 0 AFADRO CCC1([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 527905540 352173457 /nfs/dbraw/zinc/17/34/57/352173457.db2.gz UHBJOTIUHQHLIF-VHSXEESVSA-N 1 0 179.307 2.707 20 0 AFADRO C[C@H]([NH2+]CC1CC=CC1)C1CCC1 527943332 352173460 /nfs/dbraw/zinc/17/34/60/352173460.db2.gz JJFYNKLPAIQEOX-JTQLQIEISA-N 1 0 179.307 2.731 20 0 AFADRO C[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CC12CC2 527916035 352173490 /nfs/dbraw/zinc/17/34/90/352173490.db2.gz WPJNCWCNNDEBAG-KOLCDFICSA-N 1 0 193.334 2.953 20 0 AFADRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)C(C)C 527999794 352173668 /nfs/dbraw/zinc/17/36/68/352173668.db2.gz QGAGRMKZQCRCOI-UTUOFQBUSA-N 1 0 199.338 2.577 20 0 AFADRO CC(C)[C@@H]([NH2+]CC1CC=CC1)C1CC1 527948093 352173882 /nfs/dbraw/zinc/17/38/82/352173882.db2.gz ZSFKLQKUEHHMEW-CYBMUJFWSA-N 1 0 193.334 2.977 20 0 AFADRO CC(C)[C@H]([NH2+]CC1CC=CC1)C1CC1 527948094 352173912 /nfs/dbraw/zinc/17/39/12/352173912.db2.gz ZSFKLQKUEHHMEW-ZDUSSCGKSA-N 1 0 193.334 2.977 20 0 AFADRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)C(C)C 527999793 352173951 /nfs/dbraw/zinc/17/39/51/352173951.db2.gz QGAGRMKZQCRCOI-TUAOUCFPSA-N 1 0 199.338 2.577 20 0 AFADRO CCC[C@H](C)[NH2+][C@@H]1C[C@]1(C)OC(C)C 527997354 352174090 /nfs/dbraw/zinc/17/40/90/352174090.db2.gz IGYWGBQIZATUSB-TUAOUCFPSA-N 1 0 199.338 2.721 20 0 AFADRO CC1(C)CC([NH2+]CC2CC=CC2)C1 527947585 352174208 /nfs/dbraw/zinc/17/42/08/352174208.db2.gz JNSGWSDIUVLYJR-UHFFFAOYSA-N 1 0 179.307 2.731 20 0 AFADRO C1=CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 527947640 352174235 /nfs/dbraw/zinc/17/42/35/352174235.db2.gz JRDWYHVENXFNSM-YNEHKIRRSA-N 1 0 191.318 2.731 20 0 AFADRO CCC[C@H](C)[NH2+]CC1CC=CC1 527943830 352174282 /nfs/dbraw/zinc/17/42/82/352174282.db2.gz LXTUIMWGNJIOJY-JTQLQIEISA-N 1 0 167.296 2.731 20 0 AFADRO Cc1cccc(NCC2CC=CC2)[nH+]1 528117440 352175202 /nfs/dbraw/zinc/17/52/02/352175202.db2.gz YZJBOXHSCAMCCQ-UHFFFAOYSA-N 1 0 188.274 2.768 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)c1ncccc1F 528036109 352175649 /nfs/dbraw/zinc/17/56/49/352175649.db2.gz NOJGEOUDXCHBPQ-IUCAKERBSA-N 1 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/nfs/dbraw/zinc/44/37/27/409443727.db2.gz GRYDPICVJUTBKD-IUCAKERBSA-N 1 0 191.265 2.666 20 0 AFADRO CC(C)=CCC[C@@H](C)[NH2+]CC(F)F 656610266 409443741 /nfs/dbraw/zinc/44/37/41/409443741.db2.gz QOBPQEAQOWWSTO-SECBINFHSA-N 1 0 191.265 2.976 20 0 AFADRO C[C@@H](CC1CCCC1)[NH2+]CC(F)F 656610281 409443806 /nfs/dbraw/zinc/44/38/06/409443806.db2.gz ZDBJQWGCGYJVBP-QMMMGPOBSA-N 1 0 191.265 2.810 20 0 AFADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC(F)F 656610246 409443857 /nfs/dbraw/zinc/44/38/57/409443857.db2.gz GRYDPICVJUTBKD-DTWKUNHWSA-N 1 0 191.265 2.666 20 0 AFADRO C1CCC2(CC1)C[NH+](CC1CC1)C2 656658958 409444223 /nfs/dbraw/zinc/44/42/23/409444223.db2.gz FPEMWHQRCWHUSV-UHFFFAOYSA-N 1 0 179.307 2.663 20 0 AFADRO C1CCC(C2C[NH+](CC3CC3)C2)CC1 656674340 409444329 /nfs/dbraw/zinc/44/43/29/409444329.db2.gz XFNXUZVJJUPPDS-UHFFFAOYSA-N 1 0 193.334 2.909 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH+]1CC2(CCCC2)C1 656622875 409444387 /nfs/dbraw/zinc/44/43/87/409444387.db2.gz FVBDHMXYCQULKK-GHMZBOCLSA-N 1 0 179.307 2.518 20 0 AFADRO C[C@H]1C[C@@H]1C[NH+]1CC2(CCCC2)C1 656622878 409444434 /nfs/dbraw/zinc/44/44/34/409444434.db2.gz FVBDHMXYCQULKK-WDEREUQCSA-N 1 0 179.307 2.518 20 0 AFADRO CCC1(CC)C[NH+](CC2(C)CC2)C1 656659017 409444604 /nfs/dbraw/zinc/44/46/04/409444604.db2.gz RCHANOGLKNWMCC-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO CCC1(CC)C[NH+](C[C@@H]2C[C@H]2C)C1 656658991 409444775 /nfs/dbraw/zinc/44/47/75/409444775.db2.gz MEVMDFXTBZUZCB-MNOVXSKESA-N 1 0 181.323 2.764 20 0 AFADRO CCC1(CC)C[NH+](C[C@@H]2C[C@@H]2C)C1 656658992 409445025 /nfs/dbraw/zinc/44/50/25/409445025.db2.gz MEVMDFXTBZUZCB-QWRGUYRKSA-N 1 0 181.323 2.764 20 0 AFADRO CC[C@H](C)C[NH+]1CC2(CCCC2)C1 656622911 409445076 /nfs/dbraw/zinc/44/50/76/409445076.db2.gz GSTXSLXARQPKOB-NSHDSACASA-N 1 0 181.323 2.909 20 0 AFADRO CC[C@@H](C)C[NH+]1CC2(CCCC2)C1 656622909 409445153 /nfs/dbraw/zinc/44/51/53/409445153.db2.gz GSTXSLXARQPKOB-LLVKDONJSA-N 1 0 181.323 2.909 20 0 AFADRO C[C@H]1C[C@H]1C[NH+]1CC2(CCCCC2)C1 656660797 409445160 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179.307 2.518 20 0 AFADRO CCC1(CC)C[NH+](C[C@H]2C[C@@H]2C)C1 656658993 409445653 /nfs/dbraw/zinc/44/56/53/409445653.db2.gz MEVMDFXTBZUZCB-WDEREUQCSA-N 1 0 181.323 2.764 20 0 AFADRO CCC1(CC)C[NH+](CC2CC2)C1 656661745 409445660 /nfs/dbraw/zinc/44/56/60/409445660.db2.gz GKOFHAYVDWPAPF-UHFFFAOYSA-N 1 0 167.296 2.518 20 0 AFADRO CC(C)C[NH+]1CC2(CCCCC2)C1 656660816 409445812 /nfs/dbraw/zinc/44/58/12/409445812.db2.gz XYBVALNVQJACLF-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO CCC1(CC)C[NH+](CC(C)C)C1 656661749 409445894 /nfs/dbraw/zinc/44/58/94/409445894.db2.gz ITCUABDRXZZPJI-UHFFFAOYSA-N 1 0 169.312 2.764 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH+]1CC2(CCCCC2)C1 656660798 409445920 /nfs/dbraw/zinc/44/59/20/409445920.db2.gz OZMUSBRZEGNTLB-VXGBXAGGSA-N 1 0 193.334 2.909 20 0 AFADRO CC/C=C\C[NH2+]C1CC2(CCC2)C1 656635622 409445936 /nfs/dbraw/zinc/44/59/36/409445936.db2.gz KRZLKTCPBHAZGF-ARJAWSKDSA-N 1 0 179.307 2.875 20 0 AFADRO CC/C=C/C[NH2+]C1CC2(CCC2)C1 656635624 409445961 /nfs/dbraw/zinc/44/59/61/409445961.db2.gz KRZLKTCPBHAZGF-ONEGZZNKSA-N 1 0 179.307 2.875 20 0 AFADRO COCC[C@@H](C)[NH2+]CCCC1CCC1 656689329 409447514 /nfs/dbraw/zinc/44/75/14/409447514.db2.gz RBUGDERUHSJGHV-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[NH+](CC)CCCC(C)C 101508029 409447550 /nfs/dbraw/zinc/44/75/50/409447550.db2.gz MIJPWIKBRMBPIZ-UHFFFAOYSA-N 1 0 157.301 2.764 20 0 AFADRO COCC[C@H](C)[NH2+]CCCC1CCC1 656689330 409447579 /nfs/dbraw/zinc/44/75/79/409447579.db2.gz RBUGDERUHSJGHV-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO C[C@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC1 101551663 409447629 /nfs/dbraw/zinc/44/76/29/409447629.db2.gz GJXSAVAROOVANN-HOSYDEDBSA-N 1 0 181.323 2.953 20 0 AFADRO CC[N@H+](C)CCCc1ccccc1 101444662 409447694 /nfs/dbraw/zinc/44/76/94/409447694.db2.gz UTQSABLZYAVHRH-UHFFFAOYSA-N 1 0 177.291 2.571 20 0 AFADRO C[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC1 101551651 409447716 /nfs/dbraw/zinc/44/77/16/409447716.db2.gz GJXSAVAROOVANN-UMNHJUIQSA-N 1 0 181.323 2.953 20 0 AFADRO CCC(CC)C[NH+]1CC(C(F)F)C1 656691057 409447724 /nfs/dbraw/zinc/44/77/24/409447724.db2.gz VHTHRQFJSPFMAW-UHFFFAOYSA-N 1 0 191.265 2.620 20 0 AFADRO CC(C)C[NH+]1CC(C2CCCC2)C1 656729871 409448571 /nfs/dbraw/zinc/44/85/71/409448571.db2.gz OFBFYKMGFIEEHS-UHFFFAOYSA-N 1 0 181.323 2.764 20 0 AFADRO CC1(C[NH+]2CC(C3CCCC3)C2)CC1 656729887 409448721 /nfs/dbraw/zinc/44/87/21/409448721.db2.gz QYBCKCRKPZYMBA-UHFFFAOYSA-N 1 0 193.334 2.909 20 0 AFADRO C[C@H]1C[C@@H]1C[NH+]1CC(C2CCCC2)C1 656729847 409448905 /nfs/dbraw/zinc/44/89/05/409448905.db2.gz JWJWYPHFMFHOPZ-CMPLNLGQSA-N 1 0 193.334 2.764 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH+]1CC(C2CCCC2)C1 656729861 409449058 /nfs/dbraw/zinc/44/90/58/409449058.db2.gz JWJWYPHFMFHOPZ-ZYHUDNBSSA-N 1 0 193.334 2.764 20 0 AFADRO C[C@H]1C[C@H]1C[NH+]1CC(C2CCCC2)C1 656729857 409449215 /nfs/dbraw/zinc/44/92/15/409449215.db2.gz JWJWYPHFMFHOPZ-JQWIXIFHSA-N 1 0 193.334 2.764 20 0 AFADRO C[C@@H]1C[C@H]1C[NH+]1CC(C2CCCC2)C1 656729859 409449232 /nfs/dbraw/zinc/44/92/32/409449232.db2.gz JWJWYPHFMFHOPZ-PWSUYJOCSA-N 1 0 193.334 2.764 20 0 AFADRO CCC[NH+](CCC)Cc1cccnc1 103187089 409450042 /nfs/dbraw/zinc/45/00/42/409450042.db2.gz GVHIPEJHZMNUQS-UHFFFAOYSA-N 1 0 192.306 2.704 20 0 AFADRO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](OC(C)C)C1 656858370 409451839 /nfs/dbraw/zinc/45/18/39/409451839.db2.gz UKMRAFJDUDUFIP-UTUOFQBUSA-N 1 0 199.338 2.578 20 0 AFADRO CCC1(C)C[NH+](Cc2ccc(C)o2)C1 656799365 409452296 /nfs/dbraw/zinc/45/22/96/409452296.db2.gz QTDJUDCFXJFRED-UHFFFAOYSA-N 1 0 193.290 2.820 20 0 AFADRO CC[C@H](C)C[NH2+][C@H]1C[C@@H](OC(C)C)C1 656858369 409452374 /nfs/dbraw/zinc/45/23/74/409452374.db2.gz UKMRAFJDUDUFIP-SDDRHHMPSA-N 1 0 199.338 2.578 20 0 AFADRO CCC1(C)C[NH+](Cc2cccs2)C1 656799359 409452457 /nfs/dbraw/zinc/45/24/57/409452457.db2.gz OBTRZPULIXHEFK-UHFFFAOYSA-N 1 0 195.331 2.980 20 0 AFADRO CC[C@@H](C)C[NH+]1CC(C)(CC)C1 656807548 409452498 /nfs/dbraw/zinc/45/24/98/409452498.db2.gz DIXLHBTWGMMXIB-SNVBAGLBSA-N 1 0 169.312 2.764 20 0 AFADRO CCC1(C)C[NH+](Cc2occc2C)C1 656807556 409452679 /nfs/dbraw/zinc/45/26/79/409452679.db2.gz JAIHXBCNGSJGPO-UHFFFAOYSA-N 1 0 193.290 2.820 20 0 AFADRO CC[C@H](C)C[NH+]1CC(C)(CC)C1 656807547 409453009 /nfs/dbraw/zinc/45/30/09/409453009.db2.gz DIXLHBTWGMMXIB-JTQLQIEISA-N 1 0 169.312 2.764 20 0 AFADRO CCC1(C)C[NH+](CC2(C)CC2)C1 656807566 409453084 /nfs/dbraw/zinc/45/30/84/409453084.db2.gz MJFOGUUKUMPXKQ-UHFFFAOYSA-N 1 0 167.296 2.518 20 0 AFADRO CCC1(C)C[NH+](Cc2ccsc2)C1 656799356 409453093 /nfs/dbraw/zinc/45/30/93/409453093.db2.gz LJKRZLVMDUUYCT-UHFFFAOYSA-N 1 0 195.331 2.980 20 0 AFADRO CCCC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C1 656864844 409453857 /nfs/dbraw/zinc/45/38/57/409453857.db2.gz KIFUQONTRMFMPE-SDDRHHMPSA-N 1 0 199.338 2.722 20 0 AFADRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)[C@@H](C)CC)C1 656872959 409453863 /nfs/dbraw/zinc/45/38/63/409453863.db2.gz QMQNFDDMLRQEGL-WHOHXGKFSA-N 1 0 199.338 2.578 20 0 AFADRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CC(C)C)C1 656872974 409453877 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/nfs/dbraw/zinc/51/18/68/409511868.db2.gz HYMXTKLHVZNIFE-SNVBAGLBSA-N 1 0 187.302 2.903 20 0 AFADRO CC(F)(F)C[NH2+]C1CCCCC1 212714340 409511902 /nfs/dbraw/zinc/51/19/02/409511902.db2.gz OGUDWWGFPMYCQK-UHFFFAOYSA-N 1 0 177.238 2.564 20 0 AFADRO CCCC[C@H](C)[NH2+]CCc1ccoc1 658197468 409511903 /nfs/dbraw/zinc/51/19/03/409511903.db2.gz HLLBPADMJRIZTL-NSHDSACASA-N 1 0 195.306 2.990 20 0 AFADRO CC[C@@H](C)[NH2+]CCCOC(C)(C)C 658188074 409511917 /nfs/dbraw/zinc/51/19/17/409511917.db2.gz ZXAPVPLZBLATSZ-SNVBAGLBSA-N 1 0 187.327 2.580 20 0 AFADRO CCC[C@H](C)[NH2+]CCC(C)(C)F 658193034 409511928 /nfs/dbraw/zinc/51/19/28/409511928.db2.gz RVQLWKPRZCQVFX-VIFPVBQESA-N 1 0 175.291 2.903 20 0 AFADRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 658191309 409511948 /nfs/dbraw/zinc/51/19/48/409511948.db2.gz PUXNAVCDOJWXNY-HBNTYKKESA-N 1 0 199.313 2.903 20 0 AFADRO C[C@@H]([NH2+]CCC(C)(C)F)C1CCC1 658193508 409511964 /nfs/dbraw/zinc/51/19/64/409511964.db2.gz WCEXFLNBZRWPNM-SECBINFHSA-N 1 0 187.302 2.903 20 0 AFADRO CC(C)(F)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 658191307 409511970 /nfs/dbraw/zinc/51/19/70/409511970.db2.gz PUXNAVCDOJWXNY-AXFHLTTASA-N 1 0 199.313 2.903 20 0 AFADRO CC[C@H](C)[NH2+]CCC(C)(C)F 658191973 409511994 /nfs/dbraw/zinc/51/19/94/409511994.db2.gz MIYWOCZTOLDNHT-QMMMGPOBSA-N 1 0 161.264 2.513 20 0 AFADRO CC(C)(F)CC[NH2+][C@H]1CCC1(C)C 658190912 409512002 /nfs/dbraw/zinc/51/20/02/409512002.db2.gz HNVCCXFOIRBXBE-VIFPVBQESA-N 1 0 187.302 2.903 20 0 AFADRO CCC[C@@H](C)[NH2+]CCC(C)(C)F 658193033 409512013 /nfs/dbraw/zinc/51/20/13/409512013.db2.gz RVQLWKPRZCQVFX-SECBINFHSA-N 1 0 175.291 2.903 20 0 AFADRO CC(C)(F)CC[NH2+][C@@H]1CCC1(C)C 658190911 409512042 /nfs/dbraw/zinc/51/20/42/409512042.db2.gz HNVCCXFOIRBXBE-SECBINFHSA-N 1 0 187.302 2.903 20 0 AFADRO CC(C)[C@@H](C)[NH2+]CCC(C)(C)F 658193539 409512050 /nfs/dbraw/zinc/51/20/50/409512050.db2.gz WKVLQATWMOWARO-SECBINFHSA-N 1 0 175.291 2.759 20 0 AFADRO CC(C)(F)CC[NH2+]C(C1CC1)C1CC1 658193436 409512087 /nfs/dbraw/zinc/51/20/87/409512087.db2.gz USRUXIJAYCGQIK-UHFFFAOYSA-N 1 0 199.313 2.903 20 0 AFADRO CCC[NH2+]Cc1ccc(C)cc1OC 212184116 409512088 /nfs/dbraw/zinc/51/20/88/409512088.db2.gz MMVRGUVECUAWQM-UHFFFAOYSA-N 1 0 193.290 2.503 20 0 AFADRO C[C@H]([NH2+]CCC(C)(C)F)C1CCC1 658193510 409512094 /nfs/dbraw/zinc/51/20/94/409512094.db2.gz WCEXFLNBZRWPNM-VIFPVBQESA-N 1 0 187.302 2.903 20 0 AFADRO CC[C@H](C)[NH2+]CCCOC(C)(C)C 658188072 409512101 /nfs/dbraw/zinc/51/21/01/409512101.db2.gz ZXAPVPLZBLATSZ-JTQLQIEISA-N 1 0 187.327 2.580 20 0 AFADRO CC(F)(F)CC[NH2+]C1CCCC1 212714515 409512110 /nfs/dbraw/zinc/51/21/10/409512110.db2.gz YJXLBTVDRFUMFA-UHFFFAOYSA-N 1 0 177.238 2.564 20 0 AFADRO CC[C@@H]1CCC[N@H+](CC(C)C)C1 212249957 409512159 /nfs/dbraw/zinc/51/21/59/409512159.db2.gz QTDBXGIRLPLAKU-LLVKDONJSA-N 1 0 169.312 2.764 20 0 AFADRO CC[C@@H](C)[NH2+]CCC(C)(C)F 658191972 409512171 /nfs/dbraw/zinc/51/21/71/409512171.db2.gz MIYWOCZTOLDNHT-MRVPVSSYSA-N 1 0 161.264 2.513 20 0 AFADRO CC[C@H]1CC[C@H]1[NH2+]CCC(C)(C)F 658191168 409512197 /nfs/dbraw/zinc/51/21/97/409512197.db2.gz LVHLOEANAOAGFC-VHSXEESVSA-N 1 0 187.302 2.903 20 0 AFADRO CC[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)OC 658170664 409512211 /nfs/dbraw/zinc/51/22/11/409512211.db2.gz BYJZRBFKFTXFOD-SDDRHHMPSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@@H](C)C[NH2+][C@@H]1CCCCC[C@H]1C 658170629 409512218 /nfs/dbraw/zinc/51/22/18/409512218.db2.gz YDCXNDPGNREXJN-GRYCIOLGSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)F 658191166 409512231 /nfs/dbraw/zinc/51/22/31/409512231.db2.gz LVHLOEANAOAGFC-NXEZZACHSA-N 1 0 187.302 2.903 20 0 AFADRO CC[C@H]1CC[C@@H]1[NH2+]CCc1ccoc1 658201572 409512443 /nfs/dbraw/zinc/51/24/43/409512443.db2.gz SXADALLEWKDJTI-RYUDHWBXSA-N 1 0 193.290 2.600 20 0 AFADRO CC[C@@H](C)[NH2+]CCCC1CCC1 658225442 409512453 /nfs/dbraw/zinc/51/24/53/409512453.db2.gz ZDWXYKIQXPDUAS-SNVBAGLBSA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@@H]([NH2+]CCc1ccoc1)C(C)C 658198103 409512456 /nfs/dbraw/zinc/51/24/56/409512456.db2.gz IZUZKDYKVDDJIZ-GFCCVEGCSA-N 1 0 195.306 2.846 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccoc1 658199324 409512466 /nfs/dbraw/zinc/51/24/66/409512466.db2.gz MLJSBYQHMWLYLQ-QWRGUYRKSA-N 1 0 195.306 2.846 20 0 AFADRO CO[C@H](C)[C@H](C)[NH2+]CCCC1CCC1 658221848 409512468 /nfs/dbraw/zinc/51/24/68/409512468.db2.gz MMJINBWKJUKFJS-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H]1CC[C@H]1[NH2+]CCc1ccoc1 658201574 409512490 /nfs/dbraw/zinc/51/24/90/409512490.db2.gz SXADALLEWKDJTI-VXGBXAGGSA-N 1 0 193.290 2.600 20 0 AFADRO CCOC[C@@H](C)[NH2+]CCCC1CCC1 658225420 409512502 /nfs/dbraw/zinc/51/25/02/409512502.db2.gz ZBHPUXLVOUGAGV-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CO[C@@H](C)[C@@H](C)[NH2+]CCCC1CCC1 658221846 409512505 /nfs/dbraw/zinc/51/25/05/409512505.db2.gz MMJINBWKJUKFJS-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H]([NH2+]CCc1ccoc1)C1CC1 658199363 409512514 /nfs/dbraw/zinc/51/25/14/409512514.db2.gz MUDWZRSHAAVDNU-GFCCVEGCSA-N 1 0 193.290 2.600 20 0 AFADRO CCC[C@@H](CC)[NH2+]CCc1ccoc1 658199498 409512518 /nfs/dbraw/zinc/51/25/18/409512518.db2.gz KXZCJQJVNUALAV-GFCCVEGCSA-N 1 0 195.306 2.990 20 0 AFADRO CCC(CC)[NH2+]CCc1ccoc1 658198115 409512523 /nfs/dbraw/zinc/51/25/23/409512523.db2.gz JEAOUOXRUPTSMG-UHFFFAOYSA-N 1 0 181.279 2.600 20 0 AFADRO CC[C@H](C)[NH2+]CCCC1CCC1 658225440 409512533 /nfs/dbraw/zinc/51/25/33/409512533.db2.gz ZDWXYKIQXPDUAS-JTQLQIEISA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@H]([NH2+]CCc1ccoc1)C1CC1 658199365 409512545 /nfs/dbraw/zinc/51/25/45/409512545.db2.gz MUDWZRSHAAVDNU-LBPRGKRZSA-N 1 0 193.290 2.600 20 0 AFADRO CO[C@H](C)[C@@H](C)[NH2+]CCCC1CCC1 658221845 409512559 /nfs/dbraw/zinc/51/25/59/409512559.db2.gz MMJINBWKJUKFJS-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@@H]([NH2+]CCc1ccoc1)C(C)(C)C 658202456 409512561 /nfs/dbraw/zinc/51/25/61/409512561.db2.gz ULNTVRREVDSTRV-SNVBAGLBSA-N 1 0 195.306 2.846 20 0 AFADRO CC[C@@H](COC)[NH2+]CCCC1CCC1 658220912 409512566 /nfs/dbraw/zinc/51/25/66/409512566.db2.gz JYSRGJDVMOPWFO-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CC1CC([NH2+]CCCC2CCC2)C1 658222482 409512572 /nfs/dbraw/zinc/51/25/72/409512572.db2.gz OQQZJMHAMOQQRX-UHFFFAOYSA-N 1 0 181.323 2.955 20 0 AFADRO CCC[C@H](C)[NH2+]CCc1ccoc1 658199990 409512575 /nfs/dbraw/zinc/51/25/75/409512575.db2.gz OUDROQYGGUVGOG-JTQLQIEISA-N 1 0 181.279 2.600 20 0 AFADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccoc1 658199326 409512603 /nfs/dbraw/zinc/51/26/03/409512603.db2.gz MLJSBYQHMWLYLQ-WDEREUQCSA-N 1 0 195.306 2.846 20 0 AFADRO CCC[C@@H](C)[NH2+]CCc1ccoc1 658199991 409512613 /nfs/dbraw/zinc/51/26/13/409512613.db2.gz OUDROQYGGUVGOG-SNVBAGLBSA-N 1 0 181.279 2.600 20 0 AFADRO C[C@H](CC1CC1)[NH2+]CCc1ccoc1 658199777 409512616 /nfs/dbraw/zinc/51/26/16/409512616.db2.gz NDBOJWSEFMWZQY-SNVBAGLBSA-N 1 0 193.290 2.600 20 0 AFADRO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)C1CC1 658237200 409512622 /nfs/dbraw/zinc/51/26/22/409512622.db2.gz ZMKCLWBLIBOTIL-USWWRNFRSA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@H](COC)[NH2+]CCCC1CCC1 658220911 409512662 /nfs/dbraw/zinc/51/26/62/409512662.db2.gz JYSRGJDVMOPWFO-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccoc1 658199323 409512668 /nfs/dbraw/zinc/51/26/68/409512668.db2.gz MLJSBYQHMWLYLQ-MNOVXSKESA-N 1 0 195.306 2.846 20 0 AFADRO C(C[NH2+][C@H]1CCSC1)CC1CCC1 658221273 409512688 /nfs/dbraw/zinc/51/26/88/409512688.db2.gz KOJPCIUZRORKHV-NSHDSACASA-N 1 0 199.363 2.662 20 0 AFADRO CO[C@@H](C)[C@H](C)[NH2+]CCCC1CCC1 658221847 409512703 /nfs/dbraw/zinc/51/27/03/409512703.db2.gz MMJINBWKJUKFJS-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CCOC[C@H](C)[NH2+]CCCC1CCC1 658225421 409512710 /nfs/dbraw/zinc/51/27/10/409512710.db2.gz ZBHPUXLVOUGAGV-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO C[C@H]([NH2+]CCc1ccoc1)C1CCC1 658202364 409512738 /nfs/dbraw/zinc/51/27/38/409512738.db2.gz WCWVDVRIZQRJQV-JTQLQIEISA-N 1 0 193.290 2.600 20 0 AFADRO CC1(C)CC([NH2+]CCc2ccoc2)C1 658200591 409512758 /nfs/dbraw/zinc/51/27/58/409512758.db2.gz OJUFHOAFJYSGBK-UHFFFAOYSA-N 1 0 193.290 2.600 20 0 AFADRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccoc1 658201570 409512773 /nfs/dbraw/zinc/51/27/73/409512773.db2.gz SXADALLEWKDJTI-NEPJUHHUSA-N 1 0 193.290 2.600 20 0 AFADRO CC1(C)CC[C@H]1[NH2+]CCc1ccoc1 658198778 409512792 /nfs/dbraw/zinc/51/27/92/409512792.db2.gz ICRWULIJWQOXMF-LLVKDONJSA-N 1 0 193.290 2.600 20 0 AFADRO C[C@H]([NH2+]CCc1ccoc1)C(C)(C)C 658202455 409512801 /nfs/dbraw/zinc/51/28/01/409512801.db2.gz ULNTVRREVDSTRV-JTQLQIEISA-N 1 0 195.306 2.846 20 0 AFADRO CC1(C)CC[C@@H]1[NH2+]CCc1ccoc1 658198779 409512832 /nfs/dbraw/zinc/51/28/32/409512832.db2.gz ICRWULIJWQOXMF-NSHDSACASA-N 1 0 193.290 2.600 20 0 AFADRO CC[C@@H]([NH2+][C@H]1CC[C@H]1CC)C1CC1 658237198 409512838 /nfs/dbraw/zinc/51/28/38/409512838.db2.gz ZMKCLWBLIBOTIL-JLLWLGSASA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@H]1CC[C@H]1[NH2+]CCc1ccoc1 658201571 409512855 /nfs/dbraw/zinc/51/28/55/409512855.db2.gz SXADALLEWKDJTI-NWDGAFQWSA-N 1 0 193.290 2.600 20 0 AFADRO C(C[NH2+][C@@H]1CCSC1)CC1CCC1 658221271 409512878 /nfs/dbraw/zinc/51/28/78/409512878.db2.gz KOJPCIUZRORKHV-LLVKDONJSA-N 1 0 199.363 2.662 20 0 AFADRO CCC[C@H](CC)[NH2+]CCc1ccoc1 658199499 409512880 /nfs/dbraw/zinc/51/28/80/409512880.db2.gz KXZCJQJVNUALAV-LBPRGKRZSA-N 1 0 195.306 2.990 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccoc1 658199320 409512895 /nfs/dbraw/zinc/51/28/95/409512895.db2.gz MLJSBYQHMWLYLQ-GHMZBOCLSA-N 1 0 195.306 2.846 20 0 AFADRO CC[C@H]([NH2+]CCc1ccoc1)C(C)C 658198104 409512897 /nfs/dbraw/zinc/51/28/97/409512897.db2.gz IZUZKDYKVDDJIZ-LBPRGKRZSA-N 1 0 195.306 2.846 20 0 AFADRO C[C@@H]([NH2+]CCc1ccoc1)C1CCC1 658202365 409512899 /nfs/dbraw/zinc/51/28/99/409512899.db2.gz WCWVDVRIZQRJQV-SNVBAGLBSA-N 1 0 193.290 2.600 20 0 AFADRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1CC)C1CC1 658237201 409512906 /nfs/dbraw/zinc/51/29/06/409512906.db2.gz ZMKCLWBLIBOTIL-YUSALJHKSA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)C1CC1 658237197 409512928 /nfs/dbraw/zinc/51/29/28/409512928.db2.gz ZMKCLWBLIBOTIL-ADEWGFFLSA-N 1 0 181.323 2.953 20 0 AFADRO C[C@@H](CC1CC1)[NH2+]CCc1ccoc1 658199775 409512943 /nfs/dbraw/zinc/51/29/43/409512943.db2.gz NDBOJWSEFMWZQY-JTQLQIEISA-N 1 0 193.290 2.600 20 0 AFADRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 658302199 409513282 /nfs/dbraw/zinc/51/32/82/409513282.db2.gz LTAWMHJCNDABQR-NOHGZBONSA-N 1 0 193.334 2.953 20 0 AFADRO C[C@@H]1CCC[C@@H]1[NH2+][C@]1(C)CC1(C)C 658306218 409513303 /nfs/dbraw/zinc/51/33/03/409513303.db2.gz DIQRDYSGNDHIBQ-JFGNBEQYSA-N 1 0 181.323 2.953 20 0 AFADRO CC1CC([NH2+][C@]2(C)CC2(C)C)C1 658304889 409513312 /nfs/dbraw/zinc/51/33/12/409513312.db2.gz QRRISOJRQYALGK-NWGYLPEXSA-N 1 0 167.296 2.563 20 0 AFADRO CCC[C@@H](C)[NH2+][C@@]1(C)CC1(C)C 658307279 409513319 /nfs/dbraw/zinc/51/33/19/409513319.db2.gz JXWRKUCFHCZBKK-KOLCDFICSA-N 1 0 169.312 2.953 20 0 AFADRO CC1(C)C[C@]1(C)[NH2+]C1CCSCC1 658305916 409513344 /nfs/dbraw/zinc/51/33/44/409513344.db2.gz BXNZTXKWASFDRH-NSHDSACASA-N 1 0 199.363 2.660 20 0 AFADRO CCC[C@H](C)[NH2+][C@@]1(C)CC1(C)C 658307282 409513355 /nfs/dbraw/zinc/51/33/55/409513355.db2.gz JXWRKUCFHCZBKK-ONGXEEELSA-N 1 0 169.312 2.953 20 0 AFADRO CC1(C)CC[C@H]1[NH2+][C@@]1(C)CC1(C)C 658304840 409513374 /nfs/dbraw/zinc/51/33/74/409513374.db2.gz QGGCHDNNRUFMHR-SKDRFNHKSA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@]1(C)CC1(C)C 658305770 409513377 /nfs/dbraw/zinc/51/33/77/409513377.db2.gz UMKKLFGUOWLAAE-SCVCMEIPSA-N 1 0 181.323 2.953 20 0 AFADRO CC1(C)CC[C@H]1[NH2+][C@]1(C)CC1(C)C 658304837 409513380 /nfs/dbraw/zinc/51/33/80/409513380.db2.gz QGGCHDNNRUFMHR-BXKDBHETSA-N 1 0 181.323 2.953 20 0 AFADRO CC1(C)C[C@@]1(C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 658302203 409513406 /nfs/dbraw/zinc/51/34/06/409513406.db2.gz LTAWMHJCNDABQR-SRRSOLGSSA-N 1 0 193.334 2.953 20 0 AFADRO CC[C@H]([NH2+][C@@]1(C)CC1(C)C)C1CC1 658305801 409513410 /nfs/dbraw/zinc/51/34/10/409513410.db2.gz AZCODOVVFXVHTI-JQWIXIFHSA-N 1 0 181.323 2.953 20 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1224183668 /nfs/dbraw/zinc/18/36/68/1224183668.db2.gz XXDHRGUEJHEDKS-JTQLQIEISA-N 1 0 175.275 2.890 20 0 AFADRO C[C@@H]([NH2+]C1(C)CC1)c1ccccc1 126179887 1224183708 /nfs/dbraw/zinc/18/37/08/1224183708.db2.gz XXDHRGUEJHEDKS-SNVBAGLBSA-N 1 0 175.275 2.890 20 0 AFADRO CC[NH+]1CCC2(CCCC2)CC1 143157347 1224186881 /nfs/dbraw/zinc/18/68/81/1224186881.db2.gz LGJIQABCNMMSTA-UHFFFAOYSA-N 1 0 167.296 2.663 20 0 AFADRO CCC[NH2+][C@H](C)c1ccnc(Cl)c1 166178468 1224196105 /nfs/dbraw/zinc/19/61/05/1224196105.db2.gz HNEDJBADGCLAFO-MRVPVSSYSA-N 1 0 198.697 2.796 20 0 AFADRO CCC[NH2+][C@H]1CCc2cc(C)ccc21 166179000 1224196450 /nfs/dbraw/zinc/19/64/50/1224196450.db2.gz IXAQQJGJAJHZGO-ZDUSSCGKSA-N 1 0 189.302 2.982 20 0 AFADRO CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 166178349 1224196670 /nfs/dbraw/zinc/19/66/70/1224196670.db2.gz HNEDJBADGCLAFO-QMMMGPOBSA-N 1 0 198.697 2.796 20 0 AFADRO CCC[NH2+][C@@H](C)c1cccnc1Cl 166177472 1224196781 /nfs/dbraw/zinc/19/67/81/1224196781.db2.gz NINLXXNHYLRUPL-QMMMGPOBSA-N 1 0 198.697 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307116311 1224276387 /nfs/dbraw/zinc/27/63/87/1224276387.db2.gz ONTDDOKALNJXBX-UHFFFAOYSA-N 1 0 179.263 2.539 20 0 AFADRO CC1(C)CC[NH+](C[Si](C)(C)C)CC1 307148428 1224278137 /nfs/dbraw/zinc/27/81/37/1224278137.db2.gz PLINASISNCENDY-UHFFFAOYSA-N 1 0 199.414 2.986 20 0 AFADRO CCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 307461346 1224283833 /nfs/dbraw/zinc/28/38/33/1224283833.db2.gz HUKGIVBARDKMFL-RYUDHWBXSA-N 1 0 181.323 2.909 20 0 AFADRO CCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 307461329 1224284415 /nfs/dbraw/zinc/28/44/15/1224284415.db2.gz HUKGIVBARDKMFL-NEPJUHHUSA-N 1 0 181.323 2.909 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+]C1(C)CC1 307561988 1224287676 /nfs/dbraw/zinc/28/76/76/1224287676.db2.gz JZJQZFTXVXBDBJ-BDAKNGLRSA-N 1 0 155.285 2.563 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]C1(C)CC1 307561991 1224287720 /nfs/dbraw/zinc/28/77/20/1224287720.db2.gz JZJQZFTXVXBDBJ-RKDXNWHRSA-N 1 0 155.285 2.563 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]C1(C)CC1 307561990 1224288153 /nfs/dbraw/zinc/28/81/53/1224288153.db2.gz 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157.301 2.667 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1csc(C)n1 22862781 537786966 /nfs/dbraw/zinc/78/69/66/537786966.db2.gz QUFRNPVSZNDCDO-JGVFFNPUSA-N 1 0 198.335 2.901 20 0 AFADRO Cc1nc([C@@H](C)[NH2+]CC(C)C)cs1 22862723 537787052 /nfs/dbraw/zinc/78/70/52/537787052.db2.gz QRXFEUCLSXZOOK-MRVPVSSYSA-N 1 0 198.335 2.758 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C)c1cscn1 22862307 537787102 /nfs/dbraw/zinc/78/71/02/537787102.db2.gz ZRJLZUGFGXMGGR-HTQZYQBOSA-N 1 0 184.308 2.592 20 0 AFADRO CC[C@@H](C)C[NH2+][C@H](C)C(C)C 26515530 537787567 /nfs/dbraw/zinc/78/75/67/537787567.db2.gz JSLPNWLNSLWWQJ-NXEZZACHSA-N 1 0 157.301 2.667 20 0 AFADRO CCCC[NH+](CCC)CCC 32153456 537788317 /nfs/dbraw/zinc/78/83/17/537788317.db2.gz VJIRBKSBSKOOLV-UHFFFAOYSA-N 1 0 157.301 2.909 20 0 AFADRO CCC(CC)[NH2+][C@H](C)c1cscn1 22862591 537788404 /nfs/dbraw/zinc/78/84/04/537788404.db2.gz XYLLKHGCRVOBQM-MRVPVSSYSA-N 1 0 198.335 2.982 20 0 AFADRO CCCCC[NH+](CC)CC 32161994 537788927 /nfs/dbraw/zinc/78/89/27/537788927.db2.gz YZULHOOBWDXEOT-UHFFFAOYSA-N 1 0 143.274 2.518 20 0 AFADRO CCC(CC)[NH2+][C@@H](C)c1cscn1 22862587 537789016 /nfs/dbraw/zinc/78/90/16/537789016.db2.gz XYLLKHGCRVOBQM-QMMMGPOBSA-N 1 0 198.335 2.982 20 0 AFADRO CCC[NH2+][C@@H](C)c1csc(C)n1 22862461 537789032 /nfs/dbraw/zinc/78/90/32/537789032.db2.gz ZJLVQIGJWNEHKO-ZETCQYMHSA-N 1 0 184.308 2.512 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 22862772 537789078 /nfs/dbraw/zinc/78/90/78/537789078.db2.gz QUFRNPVSZNDCDO-YUMQZZPRSA-N 1 0 198.335 2.901 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 22862777 537789328 /nfs/dbraw/zinc/78/93/28/537789328.db2.gz QUFRNPVSZNDCDO-HTQZYQBOSA-N 1 0 198.335 2.901 20 0 AFADRO CC[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 22862769 537789356 /nfs/dbraw/zinc/78/93/56/537789356.db2.gz QUFRNPVSZNDCDO-SFYZADRCSA-N 1 0 198.335 2.901 20 0 AFADRO CCC[NH+](CCC)C(C)C 32162029 537789591 /nfs/dbraw/zinc/78/95/91/537789591.db2.gz NRAPDZRPWHOPKB-UHFFFAOYSA-N 1 0 143.274 2.517 20 0 AFADRO CCC(CC)[NH2+]Cc1ncc(C)s1 22862678 537789712 /nfs/dbraw/zinc/78/97/12/537789712.db2.gz RBGDDWKPBDRBOV-UHFFFAOYSA-N 1 0 198.335 2.730 20 0 AFADRO CCCC[NH2+][C@H](C)c1csc(C)n1 22862693 537790212 /nfs/dbraw/zinc/79/02/12/537790212.db2.gz UJIUCXWLRFWRIT-MRVPVSSYSA-N 1 0 198.335 2.902 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1cscn1 22862311 537790243 /nfs/dbraw/zinc/79/02/43/537790243.db2.gz ZRJLZUGFGXMGGR-JGVFFNPUSA-N 1 0 184.308 2.592 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)[C@H](C)CC 34675263 537791007 /nfs/dbraw/zinc/79/10/07/537791007.db2.gz BESZCTKHRPFWBO-UTLUCORTSA-N 1 0 157.301 2.809 20 0 AFADRO CC(C)[N@H+](C)CCCc1ccccc1 34101753 537791050 /nfs/dbraw/zinc/79/10/50/537791050.db2.gz DTJXMWLKOPLSDF-UHFFFAOYSA-N 1 0 191.318 2.959 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)[C@H](C)CC 34675262 537791344 /nfs/dbraw/zinc/79/13/44/537791344.db2.gz BESZCTKHRPFWBO-KXUCPTDWSA-N 1 0 157.301 2.809 20 0 AFADRO CCCCC[NH+]1CCC(C)CC1 33951189 537791538 /nfs/dbraw/zinc/79/15/38/537791538.db2.gz WJUZBGRSFLQLCF-UHFFFAOYSA-N 1 0 169.312 2.909 20 0 AFADRO Cc1ccc(C[N@H+]2CC=CCC2)cc1 34754699 537793551 /nfs/dbraw/zinc/79/35/51/537793551.db2.gz OGFUSMLKFOTXMO-UHFFFAOYSA-N 1 0 187.286 2.757 20 0 AFADRO CCCC[NH+](C(C)C)C(C)C 34621792 537792979 /nfs/dbraw/zinc/79/29/79/537792979.db2.gz KLVOSHOFGYMCCP-UHFFFAOYSA-N 1 0 157.301 2.905 20 0 AFADRO CCCCC[N@@H+]1CCC[C@H](C)C1 33951187 537793646 /nfs/dbraw/zinc/79/36/46/537793646.db2.gz ZKXXDEBBTSZAEV-NSHDSACASA-N 1 0 169.312 2.909 20 0 AFADRO CCCC[N@@H+]1CCC[C@@H](C)C1 33951166 537793920 /nfs/dbraw/zinc/79/39/20/537793920.db2.gz WARDRXLFJRAMNM-SNVBAGLBSA-N 1 0 155.285 2.518 20 0 AFADRO CCCC[N@@H+]1CCCC[C@@H]1C 33951163 537794004 /nfs/dbraw/zinc/79/40/04/537794004.db2.gz PHLTYBSRSKCOOU-JTQLQIEISA-N 1 0 155.285 2.661 20 0 AFADRO CCCC[N@@H+]1CCCC[C@H]1C 33951164 537794032 /nfs/dbraw/zinc/79/40/32/537794032.db2.gz PHLTYBSRSKCOOU-SNVBAGLBSA-N 1 0 155.285 2.661 20 0 AFADRO C[C@@H](CCc1ccco1)[NH2+]CC1CC1 35450530 537794823 /nfs/dbraw/zinc/79/48/23/537794823.db2.gz HMOIGQPLERDLFB-JTQLQIEISA-N 1 0 193.290 2.600 20 0 AFADRO CC(C)[NH2+]CCCC1CCCC1 34977703 537796022 /nfs/dbraw/zinc/79/60/22/537796022.db2.gz KHAHQJYCOPZTSP-UHFFFAOYSA-N 1 0 169.312 2.955 20 0 AFADRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)C1CC1 35732828 537796150 /nfs/dbraw/zinc/79/61/50/537796150.db2.gz VUHDUMQUMJGMTI-ZJUUUORDSA-N 1 0 199.338 2.578 20 0 AFADRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)C1CC1 35732829 537796616 /nfs/dbraw/zinc/79/66/16/537796616.db2.gz VUHDUMQUMJGMTI-VHSXEESVSA-N 1 0 199.338 2.578 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccco1 35661491 537796740 /nfs/dbraw/zinc/79/67/40/537796740.db2.gz KNNBBXKUXARXQR-QWRGUYRKSA-N 1 0 195.306 2.846 20 0 AFADRO CCC[C@@H](C)[NH2+]CCc1ccco1 35661547 537797177 /nfs/dbraw/zinc/79/71/77/537797177.db2.gz VBHVLISQJSPFGT-SNVBAGLBSA-N 1 0 181.279 2.600 20 0 AFADRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)C1CC1 35732827 537797207 /nfs/dbraw/zinc/79/72/07/537797207.db2.gz VUHDUMQUMJGMTI-UWVGGRQHSA-N 1 0 199.338 2.578 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccco1 35661488 537797221 /nfs/dbraw/zinc/79/72/21/537797221.db2.gz KNNBBXKUXARXQR-GHMZBOCLSA-N 1 0 195.306 2.846 20 0 AFADRO C[C@H](CCc1ccco1)[NH2+]CC1CC1 35450534 537797357 /nfs/dbraw/zinc/79/73/57/537797357.db2.gz HMOIGQPLERDLFB-SNVBAGLBSA-N 1 0 193.290 2.600 20 0 AFADRO CCC(CC)[NH2+]CCc1ccco1 35661704 537797679 /nfs/dbraw/zinc/79/76/79/537797679.db2.gz FPRLZPATKJNSBZ-UHFFFAOYSA-N 1 0 181.279 2.600 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccco1 35661490 537798113 /nfs/dbraw/zinc/79/81/13/537798113.db2.gz KNNBBXKUXARXQR-MNOVXSKESA-N 1 0 195.306 2.846 20 0 AFADRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccco1 35661489 537798417 /nfs/dbraw/zinc/79/84/17/537798417.db2.gz KNNBBXKUXARXQR-WDEREUQCSA-N 1 0 195.306 2.846 20 0 AFADRO CCC[C@H](C)[NH2+]CCc1ccco1 35661548 537798873 /nfs/dbraw/zinc/79/88/73/537798873.db2.gz VBHVLISQJSPFGT-JTQLQIEISA-N 1 0 181.279 2.600 20 0 AFADRO CC(C)CC[C@H](C)[NH2+]C1CCOCC1 36304210 537799424 /nfs/dbraw/zinc/79/94/24/537799424.db2.gz XFSXIBIRYUUAMV-NSHDSACASA-N 1 0 199.338 2.580 20 0 AFADRO Cc1ccc(CC[NH2+]CC(C)C)cc1 36154518 537800709 /nfs/dbraw/zinc/80/07/09/537800709.db2.gz OLQFAQNYGNOTFG-UHFFFAOYSA-N 1 0 191.318 2.783 20 0 AFADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 37032383 537805123 /nfs/dbraw/zinc/80/51/23/537805123.db2.gz FTGLHANXTZZRAX-RYUDHWBXSA-N 1 0 181.323 2.955 20 0 AFADRO CCCC(CCC)[NH2+]CCOCC 36228930 537801835 /nfs/dbraw/zinc/80/18/35/537801835.db2.gz ZONYDTBBVRAPDI-UHFFFAOYSA-N 1 0 187.327 2.581 20 0 AFADRO CC(C)CC[C@@H](C)[NH2+]C1CCOCC1 36304207 537801985 /nfs/dbraw/zinc/80/19/85/537801985.db2.gz XFSXIBIRYUUAMV-LLVKDONJSA-N 1 0 199.338 2.580 20 0 AFADRO Cc1ccc(CC[NH2+]CC2CC2)cc1 36154547 537803394 /nfs/dbraw/zinc/80/33/94/537803394.db2.gz WMCZQPWWMZPGMZ-UHFFFAOYSA-N 1 0 189.302 2.537 20 0 AFADRO CCCC(CCC)[NH2+]C1CCOCC1 36319363 537803756 /nfs/dbraw/zinc/80/37/56/537803756.db2.gz LMTZHYBUSQJTHD-UHFFFAOYSA-N 1 0 199.338 2.724 20 0 AFADRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)C1CC1 35732830 537803895 /nfs/dbraw/zinc/80/38/95/537803895.db2.gz VUHDUMQUMJGMTI-NXEZZACHSA-N 1 0 199.338 2.578 20 0 AFADRO CC(C)[NH2+]CC(C)(C)c1ccccc1 36947907 537804425 /nfs/dbraw/zinc/80/44/25/537804425.db2.gz IRTNODWNXNRYDL-UHFFFAOYSA-N 1 0 191.318 2.962 20 0 AFADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 37032382 537804599 /nfs/dbraw/zinc/80/45/99/537804599.db2.gz FTGLHANXTZZRAX-NEPJUHHUSA-N 1 0 181.323 2.955 20 0 AFADRO CC[C@H](C[NH2+]C1CC1)c1ccccc1 36947980 537805014 /nfs/dbraw/zinc/80/50/14/537805014.db2.gz LWZWQVXDQPXRIP-LLVKDONJSA-N 1 0 189.302 2.932 20 0 AFADRO CCC[NH2+][C@@H](C)Cc1cccs1 36993168 537805047 /nfs/dbraw/zinc/80/50/47/537805047.db2.gz OEMGSTNHBGXOJT-VIFPVBQESA-N 1 0 183.320 2.679 20 0 AFADRO CCC[NH2+][C@H](C)Cc1cccs1 36993169 537805162 /nfs/dbraw/zinc/80/51/62/537805162.db2.gz OEMGSTNHBGXOJT-SECBINFHSA-N 1 0 183.320 2.679 20 0 AFADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 37032384 537805756 /nfs/dbraw/zinc/80/57/56/537805756.db2.gz FTGLHANXTZZRAX-VXGBXAGGSA-N 1 0 181.323 2.955 20 0 AFADRO Cc1nc([C@@H](C)[NH2+]CC2CC2)cs1 36914357 537806029 /nfs/dbraw/zinc/80/60/29/537806029.db2.gz RSBYYICYWFPVMM-SSDOTTSWSA-N 1 0 196.319 2.512 20 0 AFADRO CCC[NH2+][C@H]1CCCC[C@H]1CC 37032425 537806128 /nfs/dbraw/zinc/80/61/28/537806128.db2.gz PTJBMTIEABAPAJ-MNOVXSKESA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@H]1CCCC[C@@H]1[NH2+]C(C)C 37032222 537806660 /nfs/dbraw/zinc/80/66/60/537806660.db2.gz RWGKMKYVPHCMCI-QWRGUYRKSA-N 1 0 169.312 2.953 20 0 AFADRO Cc1nc([C@H](C)[NH2+]CC2CC2)cs1 36914358 537806757 /nfs/dbraw/zinc/80/67/57/537806757.db2.gz RSBYYICYWFPVMM-ZETCQYMHSA-N 1 0 196.319 2.512 20 0 AFADRO C[C@H](Cc1cccs1)[NH2+]CC1CC1 36993155 537806841 /nfs/dbraw/zinc/80/68/41/537806841.db2.gz RPSFRHGCBRTNPF-SECBINFHSA-N 1 0 195.331 2.679 20 0 AFADRO CC[C@H]1CCCC[C@H]1[NH2+]C(C)C 37032224 537807262 /nfs/dbraw/zinc/80/72/62/537807262.db2.gz RWGKMKYVPHCMCI-WDEREUQCSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@H]1CCCC[C@H]1[NH2+]CC1CC1 37032385 537807699 /nfs/dbraw/zinc/80/76/99/537807699.db2.gz FTGLHANXTZZRAX-NWDGAFQWSA-N 1 0 181.323 2.955 20 0 AFADRO CC[C@@H]1CCCC[C@@H]1[NH2+]C(C)C 37032221 537807704 /nfs/dbraw/zinc/80/77/04/537807704.db2.gz RWGKMKYVPHCMCI-MNOVXSKESA-N 1 0 169.312 2.953 20 0 AFADRO CC(C)[NH2+]CCC1CCCCC1 36947898 537807936 /nfs/dbraw/zinc/80/79/36/537807936.db2.gz GZROXBBQOUIBDE-UHFFFAOYSA-N 1 0 169.312 2.955 20 0 AFADRO CCC[NH2+][C@@H]1CCCC[C@H]1CC 37032424 537807949 /nfs/dbraw/zinc/80/79/49/537807949.db2.gz PTJBMTIEABAPAJ-GHMZBOCLSA-N 1 0 169.312 2.955 20 0 AFADRO CCC[NH2+]CCC1CCCCC1 36947852 537808090 /nfs/dbraw/zinc/80/80/90/537808090.db2.gz ZWYCLKCNOZYEAI-UHFFFAOYSA-N 1 0 169.312 2.956 20 0 AFADRO CC(C)Nc1cccc(C[NH+](C)C)c1 36979959 537808193 /nfs/dbraw/zinc/80/81/93/537808193.db2.gz MRGLWXKLPIOUPU-UHFFFAOYSA-N 1 0 192.306 2.569 20 0 AFADRO CCC[NH2+][C@@H]1CCCC[C@@H]1CC 37032422 537808330 /nfs/dbraw/zinc/80/83/30/537808330.db2.gz PTJBMTIEABAPAJ-WDEREUQCSA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@@H](C[NH2+]C1CC1)c1ccccc1 36947979 537808340 /nfs/dbraw/zinc/80/83/40/537808340.db2.gz LWZWQVXDQPXRIP-NSHDSACASA-N 1 0 189.302 2.932 20 0 AFADRO CCC[NH2+][C@H]1CCCC[C@@H]1CC 37032423 537808393 /nfs/dbraw/zinc/80/83/93/537808393.db2.gz PTJBMTIEABAPAJ-QWRGUYRKSA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@@H]1CCCC[C@H]1[NH2+]C(C)C 37032223 537808524 /nfs/dbraw/zinc/80/85/24/537808524.db2.gz RWGKMKYVPHCMCI-GHMZBOCLSA-N 1 0 169.312 2.953 20 0 AFADRO C[C@@H](Cc1cccs1)[NH2+]CC1CC1 36993154 537808772 /nfs/dbraw/zinc/80/87/72/537808772.db2.gz RPSFRHGCBRTNPF-VIFPVBQESA-N 1 0 195.331 2.679 20 0 AFADRO CCCC[C@@H](C)[NH2+]C(C)C 37186250 537809192 /nfs/dbraw/zinc/80/91/92/537809192.db2.gz SVKVCQSMGSCKTK-SECBINFHSA-N 1 0 143.274 2.563 20 0 AFADRO CCC(CC)C[NH2+]CC1CCC1 37180209 537809233 /nfs/dbraw/zinc/80/92/33/537809233.db2.gz QULXUILKGRIUKI-UHFFFAOYSA-N 1 0 169.312 2.812 20 0 AFADRO CCCC[C@@H](C)[NH2+]Cc1ccccn1 37213529 537810099 /nfs/dbraw/zinc/81/00/99/537810099.db2.gz PNWRDDWBXSASBJ-LLVKDONJSA-N 1 0 192.306 2.750 20 0 AFADRO CCCC[C@H](C)[NH2+]CCc1ccco1 37259014 537809466 /nfs/dbraw/zinc/80/94/66/537809466.db2.gz HEKVUWHSHYVBIS-NSHDSACASA-N 1 0 195.306 2.990 20 0 AFADRO CCC[C@H](C)[NH2+]CC1CCCC1 37257713 537809563 /nfs/dbraw/zinc/80/95/63/537809563.db2.gz SIVMVVWWFOZVMM-JTQLQIEISA-N 1 0 169.312 2.955 20 0 AFADRO CCCC[C@H](C)[NH2+]CCCOCC 37214678 537809577 /nfs/dbraw/zinc/80/95/77/537809577.db2.gz ZBWWJAXJBUBHBX-NSHDSACASA-N 1 0 187.327 2.581 20 0 AFADRO CCCC[C@H](C)[NH2+]CC(C)C 37186739 537809615 /nfs/dbraw/zinc/80/96/15/537809615.db2.gz XZQMTMRJRMDUQS-JTQLQIEISA-N 1 0 157.301 2.811 20 0 AFADRO CCCC[C@@H](C)[NH2+]CCCOCC 37214677 537810031 /nfs/dbraw/zinc/81/00/31/537810031.db2.gz ZBWWJAXJBUBHBX-LLVKDONJSA-N 1 0 187.327 2.581 20 0 AFADRO CCCC[C@H](C)[NH2+]CC1CCC1 37253681 537810144 /nfs/dbraw/zinc/81/01/44/537810144.db2.gz WBDUAAFSJVTWLO-JTQLQIEISA-N 1 0 169.312 2.955 20 0 AFADRO CCCC[C@@H](C)[NH2+]CCc1ccco1 37259012 537810331 /nfs/dbraw/zinc/81/03/31/537810331.db2.gz HEKVUWHSHYVBIS-LLVKDONJSA-N 1 0 195.306 2.990 20 0 AFADRO CC1CCC([NH2+]CC2CCC2)CC1 37180298 537810381 /nfs/dbraw/zinc/81/03/81/537810381.db2.gz HCRHVHUGJRNBMZ-UHFFFAOYSA-N 1 0 181.323 2.955 20 0 AFADRO C1CCC(C[NH2+]C(C2CC2)C2CC2)C1 37258032 537810435 /nfs/dbraw/zinc/81/04/35/537810435.db2.gz OWHVCQMBALVXJZ-UHFFFAOYSA-N 1 0 193.334 2.955 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+]CC1CCC1 37179450 537810528 /nfs/dbraw/zinc/81/05/28/537810528.db2.gz OQKJZISPFZPURD-ZJUUUORDSA-N 1 0 169.312 2.811 20 0 AFADRO CCC[C@@H](C)[NH2+]CC1CCCC1 37257711 537810608 /nfs/dbraw/zinc/81/06/08/537810608.db2.gz SIVMVVWWFOZVMM-SNVBAGLBSA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@H]([NH2+][C@H](C)CC)C(C)C 37186529 537810645 /nfs/dbraw/zinc/81/06/45/537810645.db2.gz HWJRTTDLPAMEGX-ZJUUUORDSA-N 1 0 157.301 2.809 20 0 AFADRO CCCC[C@@H](C)[NH2+]CC1CCC1 37253679 537810759 /nfs/dbraw/zinc/81/07/59/537810759.db2.gz WBDUAAFSJVTWLO-SNVBAGLBSA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](CC)C(C)C 37186530 537810766 /nfs/dbraw/zinc/81/07/66/537810766.db2.gz HWJRTTDLPAMEGX-UWVGGRQHSA-N 1 0 157.301 2.809 20 0 AFADRO CCCC[C@H](C)[NH2+][C@@H](C)CC 37186526 537810897 /nfs/dbraw/zinc/81/08/97/537810897.db2.gz MACTXPOEHZMDMA-UWVGGRQHSA-N 1 0 157.301 2.953 20 0 AFADRO C1CCC(C[NH2+]CC2CCC2)CC1 37180207 537811001 /nfs/dbraw/zinc/81/10/01/537811001.db2.gz LTMQKWDZUZQQQD-UHFFFAOYSA-N 1 0 181.323 2.956 20 0 AFADRO CCCC[C@@H](C)[NH2+]CCC 37184363 537811032 /nfs/dbraw/zinc/81/10/32/537811032.db2.gz OGQXHZPPJLQGTQ-SECBINFHSA-N 1 0 143.274 2.565 20 0 AFADRO CC(C)[C@H](C)[NH2+]CC1CCCC1 37257987 537811138 /nfs/dbraw/zinc/81/11/38/537811138.db2.gz TZQQORNKJAGTOE-JTQLQIEISA-N 1 0 169.312 2.811 20 0 AFADRO CCCC[C@H](C)[NH2+]C(C)C 37186251 537811203 /nfs/dbraw/zinc/81/12/03/537811203.db2.gz SVKVCQSMGSCKTK-VIFPVBQESA-N 1 0 143.274 2.563 20 0 AFADRO CCCC[C@@H](C)[NH2+]Cc1cccnc1 37232188 537811273 /nfs/dbraw/zinc/81/12/73/537811273.db2.gz MERHHDPOSSKMGY-LLVKDONJSA-N 1 0 192.306 2.750 20 0 AFADRO CCCC[C@H](C)[NH2+]Cc1ccccn1 37213530 537811317 /nfs/dbraw/zinc/81/13/17/537811317.db2.gz PNWRDDWBXSASBJ-NSHDSACASA-N 1 0 192.306 2.750 20 0 AFADRO CCCC[C@@H](C)[NH2+][C@@H](C)CC 37186525 537811351 /nfs/dbraw/zinc/81/13/51/537811351.db2.gz MACTXPOEHZMDMA-VHSXEESVSA-N 1 0 157.301 2.953 20 0 AFADRO CC[C@@H]([NH2+]CCc1ccco1)C(C)C 37259018 537811404 /nfs/dbraw/zinc/81/14/04/537811404.db2.gz DJDWIFAKBBGTHV-GFCCVEGCSA-N 1 0 195.306 2.846 20 0 AFADRO CCCC[C@H](C)[NH2+]CCC 37184364 537811415 /nfs/dbraw/zinc/81/14/15/537811415.db2.gz OGQXHZPPJLQGTQ-VIFPVBQESA-N 1 0 143.274 2.565 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC1 37179446 537811486 /nfs/dbraw/zinc/81/14/86/537811486.db2.gz OQKJZISPFZPURD-NXEZZACHSA-N 1 0 169.312 2.811 20 0 AFADRO CCCC[C@H](C)[NH2+][C@H](C)CC 37186528 537811518 /nfs/dbraw/zinc/81/15/18/537811518.db2.gz MACTXPOEHZMDMA-ZJUUUORDSA-N 1 0 157.301 2.953 20 0 AFADRO CCCC[C@@H](C)[NH2+]Cc1ccco1 37184239 537811682 /nfs/dbraw/zinc/81/16/82/537811682.db2.gz DNSDSBHTDPTKPW-SNVBAGLBSA-N 1 0 181.279 2.948 20 0 AFADRO CCC(CC)[NH2+]CC1CCCC1 37258053 537811714 /nfs/dbraw/zinc/81/17/14/537811714.db2.gz DIAXUIZFQBDBDQ-UHFFFAOYSA-N 1 0 169.312 2.955 20 0 AFADRO CC[C@H](C)[C@@H](C)[NH2+]CC1CCC1 37179448 537811819 /nfs/dbraw/zinc/81/18/19/537811819.db2.gz OQKJZISPFZPURD-VHSXEESVSA-N 1 0 169.312 2.811 20 0 AFADRO CC[C@H](C)[NH2+][C@H](CC)C(C)C 37186532 537811823 /nfs/dbraw/zinc/81/18/23/537811823.db2.gz HWJRTTDLPAMEGX-VHSXEESVSA-N 1 0 157.301 2.809 20 0 AFADRO CCCC[C@H](C)[NH2+]Cc1ccco1 37184240 537811914 /nfs/dbraw/zinc/81/19/14/537811914.db2.gz DNSDSBHTDPTKPW-JTQLQIEISA-N 1 0 181.279 2.948 20 0 AFADRO CC[C@H]([NH2+]CCc1ccco1)C(C)C 37259016 537811953 /nfs/dbraw/zinc/81/19/53/537811953.db2.gz DJDWIFAKBBGTHV-LBPRGKRZSA-N 1 0 195.306 2.846 20 0 AFADRO CC[C@H]([NH2+]C1CCCC1)C(C)C 37186856 537811980 /nfs/dbraw/zinc/81/19/80/537811980.db2.gz OQTSZYUVAFALOP-NSHDSACASA-N 1 0 169.312 2.953 20 0 AFADRO CCCC[C@H](C)[NH2+]Cc1cccnc1 37232189 537812105 /nfs/dbraw/zinc/81/21/05/537812105.db2.gz MERHHDPOSSKMGY-NSHDSACASA-N 1 0 192.306 2.750 20 0 AFADRO CCCC[C@@H](C)[NH2+]CC(C)C 37186738 537812142 /nfs/dbraw/zinc/81/21/42/537812142.db2.gz XZQMTMRJRMDUQS-SNVBAGLBSA-N 1 0 157.301 2.811 20 0 AFADRO CC(C)[C@@H](C)[NH2+]CC1CCCC1 37257985 537812200 /nfs/dbraw/zinc/81/22/00/537812200.db2.gz TZQQORNKJAGTOE-SNVBAGLBSA-N 1 0 169.312 2.811 20 0 AFADRO CC[C@H]([NH2+]CC1CCC1)C(C)C 37253683 537812268 /nfs/dbraw/zinc/81/22/68/537812268.db2.gz FCVDRVLTWCXGTF-NSHDSACASA-N 1 0 169.312 2.811 20 0 AFADRO CCCC[C@@H](C)[NH2+][C@H](C)CC 37186527 537812274 /nfs/dbraw/zinc/81/22/74/537812274.db2.gz MACTXPOEHZMDMA-NXEZZACHSA-N 1 0 157.301 2.953 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](CC)C(C)C 37186531 537812330 /nfs/dbraw/zinc/81/23/30/537812330.db2.gz HWJRTTDLPAMEGX-NXEZZACHSA-N 1 0 157.301 2.809 20 0 AFADRO CC[C@@H]([NH2+]C1CCCC1)C(C)C 37186857 537812502 /nfs/dbraw/zinc/81/25/02/537812502.db2.gz OQTSZYUVAFALOP-LLVKDONJSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@@H](C)C[NH2+]CC1CCCC1 37257627 537812552 /nfs/dbraw/zinc/81/25/52/537812552.db2.gz PXIDHQGEZAQNGG-SNVBAGLBSA-N 1 0 169.312 2.812 20 0 AFADRO C[C@H]([NH2+]CC1CCC1)c1ccco1 37180023 537812562 /nfs/dbraw/zinc/81/25/62/537812562.db2.gz DFWGROVSPVXWIL-VIFPVBQESA-N 1 0 179.263 2.730 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]CC1CCC1 37179452 537812606 /nfs/dbraw/zinc/81/26/06/537812606.db2.gz OQKJZISPFZPURD-UWVGGRQHSA-N 1 0 169.312 2.811 20 0 AFADRO C[C@H]([NH2+]CC1CCC1)c1ccccn1 37180078 537812798 /nfs/dbraw/zinc/81/27/98/537812798.db2.gz MXHTZVLQPJXYJO-JTQLQIEISA-N 1 0 190.290 2.532 20 0 AFADRO CC[C@@H]([NH2+]CC1CCC1)C(C)C 37253685 537812843 /nfs/dbraw/zinc/81/28/43/537812843.db2.gz FCVDRVLTWCXGTF-LLVKDONJSA-N 1 0 169.312 2.811 20 0 AFADRO CC[C@H](C)C[NH2+]CC1CCCC1 37257629 537812852 /nfs/dbraw/zinc/81/28/52/537812852.db2.gz PXIDHQGEZAQNGG-JTQLQIEISA-N 1 0 169.312 2.812 20 0 AFADRO CCC(CC)[NH2+]CC1CCC1 37180043 537812872 /nfs/dbraw/zinc/81/28/72/537812872.db2.gz QBZATDVLISKORW-UHFFFAOYSA-N 1 0 155.285 2.565 20 0 AFADRO CCC[NH2+][C@@H](CC)c1ccncc1 37467666 537813465 /nfs/dbraw/zinc/81/34/65/537813465.db2.gz ZBXQCIHMBJOUQQ-NSHDSACASA-N 1 0 178.279 2.532 20 0 AFADRO CCC[NH2+][C@H](CCC)c1cccnc1 37467591 537814627 /nfs/dbraw/zinc/81/46/27/537814627.db2.gz VJBRNSGTYRHFHI-GFCCVEGCSA-N 1 0 192.306 2.922 20 0 AFADRO CCC[NH2+][C@H](C)Cc1ccc(F)cc1 37467920 537814814 /nfs/dbraw/zinc/81/48/14/537814814.db2.gz KHLYDSPHDUTUDU-SNVBAGLBSA-N 1 0 195.281 2.756 20 0 AFADRO CC[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 37472912 537814796 /nfs/dbraw/zinc/81/47/96/537814796.db2.gz OQEIFZOYKWQDTI-ZYHUDNBSSA-N 1 0 189.302 2.714 20 0 AFADRO CCC[NH2+][C@H](C)Cc1ccccc1F 37468716 537815103 /nfs/dbraw/zinc/81/51/03/537815103.db2.gz HZLDTJOMUAOAIO-SNVBAGLBSA-N 1 0 195.281 2.756 20 0 AFADRO CC[NH2+][C@@H](CC)C1CCCCC1 37468606 537815476 /nfs/dbraw/zinc/81/54/76/537815476.db2.gz DKLRPKPWBOPOHE-NSHDSACASA-N 1 0 169.312 2.955 20 0 AFADRO CC(C)C[NH2+]C[C@@H]1Cc2ccccc21 37472876 537815887 /nfs/dbraw/zinc/81/58/87/537815887.db2.gz CEUNJWUHJBTEMB-LBPRGKRZSA-N 1 0 189.302 2.572 20 0 AFADRO CC[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 37472913 537816161 /nfs/dbraw/zinc/81/61/61/537816161.db2.gz OQEIFZOYKWQDTI-CMPLNLGQSA-N 1 0 189.302 2.714 20 0 AFADRO CCC[NH2+][C@H](CC)c1ccncc1 37467668 537816697 /nfs/dbraw/zinc/81/66/97/537816697.db2.gz ZBXQCIHMBJOUQQ-LLVKDONJSA-N 1 0 178.279 2.532 20 0 AFADRO CC(C)C[C@H](C)[NH2+][C@H]1CCSC1 37264403 537816990 /nfs/dbraw/zinc/81/69/90/537816990.db2.gz SDWIKSCLRXMIGZ-UWVGGRQHSA-N 1 0 187.352 2.516 20 0 AFADRO CCC[NH2+][C@@H](CCC)c1cccnc1 37467589 537817213 /nfs/dbraw/zinc/81/72/13/537817213.db2.gz VJBRNSGTYRHFHI-LBPRGKRZSA-N 1 0 192.306 2.922 20 0 AFADRO CC[NH2+][C@H](CC)C1CCCCC1 37468608 537817223 /nfs/dbraw/zinc/81/72/23/537817223.db2.gz DKLRPKPWBOPOHE-LLVKDONJSA-N 1 0 169.312 2.955 20 0 AFADRO CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 37467917 537817358 /nfs/dbraw/zinc/81/73/58/537817358.db2.gz KHLYDSPHDUTUDU-JTQLQIEISA-N 1 0 195.281 2.756 20 0 AFADRO CC[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 37472910 537817451 /nfs/dbraw/zinc/81/74/51/537817451.db2.gz OQEIFZOYKWQDTI-PWSUYJOCSA-N 1 0 189.302 2.714 20 0 AFADRO CCC[NH2+]C(C(C)C)C(C)C 37468342 537817528 /nfs/dbraw/zinc/81/75/28/537817528.db2.gz NVYRHBGGUHWUFK-UHFFFAOYSA-N 1 0 157.301 2.667 20 0 AFADRO CC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 37472911 537817544 /nfs/dbraw/zinc/81/75/44/537817544.db2.gz OQEIFZOYKWQDTI-JQWIXIFHSA-N 1 0 189.302 2.714 20 0 AFADRO CCC[NH2+][C@@H](C)c1ccsc1 37467811 537817564 /nfs/dbraw/zinc/81/75/64/537817564.db2.gz OPDRFRWTAVKOBC-QMMMGPOBSA-N 1 0 169.293 2.809 20 0 AFADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCSC1 37264401 537817611 /nfs/dbraw/zinc/81/76/11/537817611.db2.gz SDWIKSCLRXMIGZ-VHSXEESVSA-N 1 0 187.352 2.516 20 0 AFADRO CC(C)C[NH2+]C[C@H]1Cc2ccccc21 37472877 537817621 /nfs/dbraw/zinc/81/76/21/537817621.db2.gz CEUNJWUHJBTEMB-GFCCVEGCSA-N 1 0 189.302 2.572 20 0 AFADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCSC1 37264400 537817902 /nfs/dbraw/zinc/81/79/02/537817902.db2.gz SDWIKSCLRXMIGZ-NXEZZACHSA-N 1 0 187.352 2.516 20 0 AFADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCSC1 37264402 537818015 /nfs/dbraw/zinc/81/80/15/537818015.db2.gz SDWIKSCLRXMIGZ-ZJUUUORDSA-N 1 0 187.352 2.516 20 0 AFADRO CCC[NH2+][C@@H](C)Cc1ccccc1F 37468714 537818247 /nfs/dbraw/zinc/81/82/47/537818247.db2.gz HZLDTJOMUAOAIO-JTQLQIEISA-N 1 0 195.281 2.756 20 0 AFADRO CC[C@H](C)[NH2+]CCC(C)(C)C 37978522 537822939 /nfs/dbraw/zinc/82/29/39/537822939.db2.gz URHTUMNEHPELIY-VIFPVBQESA-N 1 0 157.301 2.811 20 0 AFADRO CC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 38065464 537826847 /nfs/dbraw/zinc/82/68/47/537826847.db2.gz MIJQIFBVACRURL-MRVPVSSYSA-N 1 0 199.244 2.853 20 0 AFADRO CCC[NH2+][C@@H](C)Cc1ccccc1C 37653799 537819177 /nfs/dbraw/zinc/81/91/77/537819177.db2.gz QWFUBUKGGLDXNV-LBPRGKRZSA-N 1 0 191.318 2.926 20 0 AFADRO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCO1 37731392 537820511 /nfs/dbraw/zinc/82/05/11/537820511.db2.gz YERKJZTYENZFKV-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCO1 37731391 537821024 /nfs/dbraw/zinc/82/10/24/537821024.db2.gz YERKJZTYENZFKV-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCOCC[NH2+]CCC1CCCCC1 37741819 537821453 /nfs/dbraw/zinc/82/14/53/537821453.db2.gz UOLTVLTZJFYJTR-UHFFFAOYSA-N 1 0 199.338 2.583 20 0 AFADRO CCC[NH2+][C@H](C)Cc1ccccc1C 37653800 537821670 /nfs/dbraw/zinc/82/16/70/537821670.db2.gz QWFUBUKGGLDXNV-GFCCVEGCSA-N 1 0 191.318 2.926 20 0 AFADRO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCO1 37731390 537821762 /nfs/dbraw/zinc/82/17/62/537821762.db2.gz YERKJZTYENZFKV-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)(C)CC[NH2+]CC1CCC1 37731381 537821779 /nfs/dbraw/zinc/82/17/79/537821779.db2.gz VMCHYGUXEOKJGY-UHFFFAOYSA-N 1 0 169.312 2.812 20 0 AFADRO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCO1 37731389 537821850 /nfs/dbraw/zinc/82/18/50/537821850.db2.gz YERKJZTYENZFKV-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CCCC[C@H](CC)[NH2+]CCC 37948844 537822735 /nfs/dbraw/zinc/82/27/35/537822735.db2.gz HJQACSGTXNRVCZ-JTQLQIEISA-N 1 0 157.301 2.955 20 0 AFADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 38044928 537822989 /nfs/dbraw/zinc/82/29/89/537822989.db2.gz VFWTUARUVZNDPC-NEPJUHHUSA-N 1 0 199.338 2.581 20 0 AFADRO CC[NH2+][C@H](C)CCc1ccc(C)cc1 37948114 537823193 /nfs/dbraw/zinc/82/31/93/537823193.db2.gz NYYGYZOTRQTEFR-GFCCVEGCSA-N 1 0 191.318 2.926 20 0 AFADRO CC[NH2+][C@H](Cc1ccccc1)C1CC1 37992964 537823862 /nfs/dbraw/zinc/82/38/62/537823862.db2.gz TZRQGQDJDJFRJC-CYBMUJFWSA-N 1 0 189.302 2.617 20 0 AFADRO CCCC[C@H](C)[NH2+]C[C@H]1CCCOC1 38044931 537823982 /nfs/dbraw/zinc/82/39/82/537823982.db2.gz VFWTUARUVZNDPC-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO CC[NH2+][C@@H](Cc1ccccc1)C1CC1 37992963 537824597 /nfs/dbraw/zinc/82/45/97/537824597.db2.gz TZRQGQDJDJFRJC-ZDUSSCGKSA-N 1 0 189.302 2.617 20 0 AFADRO CC[C@@H](C)[NH2+]CCC(C)(C)C 37978521 537824792 /nfs/dbraw/zinc/82/47/92/537824792.db2.gz URHTUMNEHPELIY-SECBINFHSA-N 1 0 157.301 2.811 20 0 AFADRO CCCC[NH2+]Cc1cnc(CC)s1 37923708 537824949 /nfs/dbraw/zinc/82/49/49/537824949.db2.gz GMABQSIXPQQKRW-UHFFFAOYSA-N 1 0 198.335 2.595 20 0 AFADRO CC[C@@H](C)[NH2+]CCc1ccc(C)cc1 38065386 537825527 /nfs/dbraw/zinc/82/55/27/537825527.db2.gz 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/nfs/dbraw/zinc/82/78/33/537827833.db2.gz RLZVDWJQZYMOHD-MRVPVSSYSA-N 1 0 198.335 2.594 20 0 AFADRO CC[C@H](C)[NH2+]CCc1ccc(C)cc1 38065387 537827864 /nfs/dbraw/zinc/82/78/64/537827864.db2.gz OWDHRGPCRYQKIH-LBPRGKRZSA-N 1 0 191.318 2.926 20 0 AFADRO CC[C@H](C)C[NH2+]Cc1nc(C)cs1 38090841 537828514 /nfs/dbraw/zinc/82/85/14/537828514.db2.gz KFKINDHTSYUCNC-QMMMGPOBSA-N 1 0 198.335 2.587 20 0 AFADRO CC(C)CCC[NH2+][C@H]1CCSC1 38093345 537829001 /nfs/dbraw/zinc/82/90/01/537829001.db2.gz HEVBQHVDPBIPMC-JTQLQIEISA-N 1 0 187.352 2.518 20 0 AFADRO C[C@H]1C[C@H](c2ccccc2)C(C)(C)[NH2+]1 38416402 537829674 /nfs/dbraw/zinc/82/96/74/537829674.db2.gz FVDMLCGIOKMSRT-CMPLNLGQSA-N 1 0 189.302 2.931 20 0 AFADRO C[C@@H]1C[C@@H](c2ccccc2)C(C)(C)[NH2+]1 38416403 537829689 /nfs/dbraw/zinc/82/96/89/537829689.db2.gz FVDMLCGIOKMSRT-PWSUYJOCSA-N 1 0 189.302 2.931 20 0 AFADRO CCC[NH2+][C@@H](C)Cc1ccsc1 38131305 537829932 /nfs/dbraw/zinc/82/99/32/537829932.db2.gz RQNQZFFAMMKLQM-VIFPVBQESA-N 1 0 183.320 2.679 20 0 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CC[C@H]([NH2+]Cc1ccccc1)C1CC1 39185376 537833007 /nfs/dbraw/zinc/83/30/07/537833007.db2.gz VKQLPAGXBLGMQZ-ZDUSSCGKSA-N 1 0 189.302 2.965 20 0 AFADRO CC[C@@H](C)C[NH2+]CC(C)(C)C 40492724 537833569 /nfs/dbraw/zinc/83/35/69/537833569.db2.gz AUFIZGIDWOVEMJ-SECBINFHSA-N 1 0 157.301 2.668 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nccs1 41012347 537833909 /nfs/dbraw/zinc/83/39/09/537833909.db2.gz RVNIPQHYTVOPPK-BDAKNGLRSA-N 1 0 198.335 2.667 20 0 AFADRO CCC[NH2+][C@@H](C)c1sc(C)nc1C 40517874 537834108 /nfs/dbraw/zinc/83/41/08/537834108.db2.gz WWMCPQHNIQJDLR-ZETCQYMHSA-N 1 0 198.335 2.821 20 0 AFADRO CC[C@@H](C)C[NH2+]Cc1csc(C)n1 41010445 537835780 /nfs/dbraw/zinc/83/57/80/537835780.db2.gz GQJYFTLCBZCMDL-MRVPVSSYSA-N 1 0 198.335 2.587 20 0 AFADRO CC[C@H](C)C[NH2+]CC(C)(C)C 40492725 537836746 /nfs/dbraw/zinc/83/67/46/537836746.db2.gz AUFIZGIDWOVEMJ-VIFPVBQESA-N 1 0 157.301 2.668 20 0 AFADRO CC(C)C[C@@H](C)[NH2+]Cc1cscn1 40504145 537837031 /nfs/dbraw/zinc/83/70/31/537837031.db2.gz PSKDXVBUWIDAFW-SECBINFHSA-N 1 0 198.335 2.667 20 0 AFADRO CC(C)[NH2+]Cc1cnc(C2CC2)s1 40996723 537837066 /nfs/dbraw/zinc/83/70/66/537837066.db2.gz KLCDYXCNZKNSQU-UHFFFAOYSA-N 1 0 196.319 2.519 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nccs1 41012349 537837568 /nfs/dbraw/zinc/83/75/68/537837568.db2.gz RVNIPQHYTVOPPK-IUCAKERBSA-N 1 0 198.335 2.667 20 0 AFADRO CCCC[C@@H](C)[NH2+]Cc1nccs1 41012687 537837664 /nfs/dbraw/zinc/83/76/64/537837664.db2.gz VWDZAEZTFNVFPN-SECBINFHSA-N 1 0 198.335 2.811 20 0 AFADRO CCC(CC)[NH2+]CC(C)(C)C 40492500 537837931 /nfs/dbraw/zinc/83/79/31/537837931.db2.gz AZQAEIHEXPHGLX-UHFFFAOYSA-N 1 0 157.301 2.811 20 0 AFADRO CC[C@H](C)C[NH2+]Cc1csc(C)n1 41010446 537837954 /nfs/dbraw/zinc/83/79/54/537837954.db2.gz GQJYFTLCBZCMDL-QMMMGPOBSA-N 1 0 198.335 2.587 20 0 AFADRO CCC[NH2+]Cc1cnc(C2CC2)s1 40996667 537838057 /nfs/dbraw/zinc/83/80/57/537838057.db2.gz OJTGDVISZAMTIX-UHFFFAOYSA-N 1 0 196.319 2.520 20 0 AFADRO CCC[NH2+][C@@H]1CCC[C@@H]1CC 42297063 537838687 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NMJRXTGMXFVDML-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 165872059 538157448 /nfs/dbraw/zinc/15/74/48/538157448.db2.gz ODTHHPBPENQZQK-VXGBXAGGSA-N 1 0 192.306 2.683 20 0 AFADRO Cc1ccccc1C[C@@H](C)[NH2+]C1CC1 166195537 538157495 /nfs/dbraw/zinc/15/74/95/538157495.db2.gz GIYHPGMYNXGIQZ-LLVKDONJSA-N 1 0 189.302 2.678 20 0 AFADRO CCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCOC1 166165507 538157516 /nfs/dbraw/zinc/15/75/16/538157516.db2.gz OHKDOLMONARVML-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@@H](CC(F)(F)F)[NH2+]C1CCCC1 166230441 538157533 /nfs/dbraw/zinc/15/75/33/538157533.db2.gz XCJYJJSFEDNTGP-ZETCQYMHSA-N 1 0 195.228 2.860 20 0 AFADRO CCC(CC)[NH2+][C@@H](CC)[C@H]1CCOC1 166235666 538157589 /nfs/dbraw/zinc/15/75/89/538157589.db2.gz VJPQBIXBRJPIFF-JQWIXIFHSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@@H](C)[NH2+][C@H](C)C1CCOCC1 166168840 538157603 /nfs/dbraw/zinc/15/76/03/538157603.db2.gz FZDNYNMVYFSXRH-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@@H]1CCC[N@@H+]1CC1CCCC1 166131425 538157655 /nfs/dbraw/zinc/15/76/55/538157655.db2.gz MZOMVMLQIVNLRI-SNVBAGLBSA-N 1 0 167.296 2.661 20 0 AFADRO CCC1(C[NH2+][C@@H]2CCC[C@H]2C)CC1 165838860 538157685 /nfs/dbraw/zinc/15/76/85/538157685.db2.gz SQIVFJXCNZLPDP-GHMZBOCLSA-N 1 0 181.323 2.955 20 0 AFADRO CCCC[NH2+][C@H](C)c1cncc(F)c1 166220113 538157914 /nfs/dbraw/zinc/15/79/14/538157914.db2.gz MPTNCCAGKXDRPY-SECBINFHSA-N 1 0 196.269 2.671 20 0 AFADRO CCC[C@H](C)[NH2+][C@@H](C)C1CCOCC1 166168723 538158105 /nfs/dbraw/zinc/15/81/05/538158105.db2.gz FZDNYNMVYFSXRH-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CCC1(C[NH2+][C@@H]2CCC[C@@H]2C)CC1 165838615 538158196 /nfs/dbraw/zinc/15/81/96/538158196.db2.gz SQIVFJXCNZLPDP-WDEREUQCSA-N 1 0 181.323 2.955 20 0 AFADRO CCCC1(C[NH2+]Cc2ccco2)CC1 165972301 538158203 /nfs/dbraw/zinc/15/82/03/538158203.db2.gz YFMMKGOVUUZLQR-UHFFFAOYSA-N 1 0 193.290 2.950 20 0 AFADRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 165871825 538158216 /nfs/dbraw/zinc/15/82/16/538158216.db2.gz ODTHHPBPENQZQK-NEPJUHHUSA-N 1 0 192.306 2.683 20 0 AFADRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 165871935 538158226 /nfs/dbraw/zinc/15/82/26/538158226.db2.gz ODTHHPBPENQZQK-RYUDHWBXSA-N 1 0 192.306 2.683 20 0 AFADRO CCC1(C[NH2+][C@H]2CCC[C@@H]2C)CC1 165838735 538158248 /nfs/dbraw/zinc/15/82/48/538158248.db2.gz SQIVFJXCNZLPDP-QWRGUYRKSA-N 1 0 181.323 2.955 20 0 AFADRO Cc1ccccc1C[C@H](C)[NH2+]C1CC1 166195651 538158264 /nfs/dbraw/zinc/15/82/64/538158264.db2.gz GIYHPGMYNXGIQZ-NSHDSACASA-N 1 0 189.302 2.678 20 0 AFADRO CCc1ccc([C@H](C)[NH2+]C2CC2)o1 166200415 538158333 /nfs/dbraw/zinc/15/83/33/538158333.db2.gz WXXXYMDTEBIPMW-QMMMGPOBSA-N 1 0 179.263 2.655 20 0 AFADRO CCC(CC)[NH2+][C@@H](C)C1CCOCC1 166237456 538158484 /nfs/dbraw/zinc/15/84/84/538158484.db2.gz MWQPDMPIEDZUMD-JTQLQIEISA-N 1 0 199.338 2.580 20 0 AFADRO CCC[N@H+](CC1CC1)C1CCC1 165998952 538158579 /nfs/dbraw/zinc/15/85/79/538158579.db2.gz ZCYJLGFWWGSBAI-UHFFFAOYSA-N 1 0 167.296 2.661 20 0 AFADRO CCC(CC)(CC)C[NH2+][C@H]1CCOC1 165957455 538158675 /nfs/dbraw/zinc/15/86/75/538158675.db2.gz GKSFSLFDLQEAKD-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@H](C)[NH2+][C@H](C)C1CCOCC1 166168967 538158918 /nfs/dbraw/zinc/15/89/18/538158918.db2.gz FZDNYNMVYFSXRH-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCCC1(C[NH2+][C@@H](C)COC)CCC1 165918654 538158925 /nfs/dbraw/zinc/15/89/25/538158925.db2.gz PKLAPTDPFACJJM-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCC(CC)[NH2+][C@H](C)C1CCOCC1 166237585 538158954 /nfs/dbraw/zinc/15/89/54/538158954.db2.gz MWQPDMPIEDZUMD-SNVBAGLBSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCOC1 166165262 538159164 /nfs/dbraw/zinc/15/91/64/538159164.db2.gz OHKDOLMONARVML-TUAOUCFPSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 166168602 538159189 /nfs/dbraw/zinc/15/91/89/538159189.db2.gz FZDNYNMVYFSXRH-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CCC1(C[NH2+][C@H](C)COC)CCCC1 165982495 538159198 /nfs/dbraw/zinc/15/91/98/538159198.db2.gz NMJRXTGMXFVDML-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 165872164 538159293 /nfs/dbraw/zinc/15/92/93/538159293.db2.gz ODTHHPBPENQZQK-NWDGAFQWSA-N 1 0 192.306 2.683 20 0 AFADRO C[C@H](CC(F)(F)F)[NH2+]C1CCCC1 166230562 538159348 /nfs/dbraw/zinc/15/93/48/538159348.db2.gz XCJYJJSFEDNTGP-SSDOTTSWSA-N 1 0 195.228 2.860 20 0 AFADRO CCC(CC)[NH2+][C@@H](CC)[C@@H]1CCOC1 166235425 538159481 /nfs/dbraw/zinc/15/94/81/538159481.db2.gz VJPQBIXBRJPIFF-PWSUYJOCSA-N 1 0 199.338 2.580 20 0 AFADRO CCc1ccc([C@H](C)[NH2+]CC2CC2)o1 166578087 538159887 /nfs/dbraw/zinc/15/98/87/538159887.db2.gz XOLNIJFVJBUWEJ-VIFPVBQESA-N 1 0 193.290 2.903 20 0 AFADRO CC[NH+](CC)Cc1ccc(C)c(F)c1 166545376 538160099 /nfs/dbraw/zinc/16/00/99/538160099.db2.gz XXNIMISNHHDGQK-UHFFFAOYSA-N 1 0 195.281 2.976 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 166333529 538160183 /nfs/dbraw/zinc/16/01/83/538160183.db2.gz JJSDJQDAGSSEDM-DTWKUNHWSA-N 1 0 196.269 2.670 20 0 AFADRO CCCCC[NH2+][C@H](C)C1CCOCC1 166343733 538160444 /nfs/dbraw/zinc/16/04/44/538160444.db2.gz LSMHFLZMQQDFKM-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO C[C@H](CCCC(F)(F)F)[NH2+]C1CC1 166647879 538160519 /nfs/dbraw/zinc/16/05/19/538160519.db2.gz SEKGKKJVPHOJFL-SSDOTTSWSA-N 1 0 195.228 2.860 20 0 AFADRO CCCCC[NH2+]C1CC(C)C1 166613160 538160737 /nfs/dbraw/zinc/16/07/37/538160737.db2.gz KQUYBGICXVSFCZ-UHFFFAOYSA-N 1 0 155.285 2.565 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 166333413 538160745 /nfs/dbraw/zinc/16/07/45/538160745.db2.gz JJSDJQDAGSSEDM-RKDXNWHRSA-N 1 0 196.269 2.670 20 0 AFADRO C[C@@H]([NH2+]CCc1ccco1)C(C)(C)C 166381746 538160871 /nfs/dbraw/zinc/16/08/71/538160871.db2.gz VPDYFUPLAPOQIO-SNVBAGLBSA-N 1 0 195.306 2.846 20 0 AFADRO CC1CC([NH2+]CCCC(F)(F)F)C1 166637111 538160899 /nfs/dbraw/zinc/16/08/99/538160899.db2.gz WXFXEVQGUPUAIT-UHFFFAOYSA-N 1 0 195.228 2.717 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C)CC1CCOCC1 166338311 538160977 /nfs/dbraw/zinc/16/09/77/538160977.db2.gz ZRNCNHBQXGOQIP-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@H](CC)[C@H]1CCOC1 166341988 538161304 /nfs/dbraw/zinc/16/13/04/538161304.db2.gz FYFLOKMHGYWLJY-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO C[C@@H](CC(F)(F)F)[NH2+][C@H](C)C1CC1 166509575 538161472 /nfs/dbraw/zinc/16/14/72/538161472.db2.gz DZSAEJHKAVRLRW-NKWVEPMBSA-N 1 0 195.228 2.715 20 0 AFADRO CC1CC([NH2+]CCc2cccs2)C1 166614277 538161794 /nfs/dbraw/zinc/16/17/94/538161794.db2.gz ODIMWEKXVCBJAW-UHFFFAOYSA-N 1 0 195.331 2.679 20 0 AFADRO C[C@H]([NH2+]CCc1ccco1)C(C)(C)C 166381627 538161917 /nfs/dbraw/zinc/16/19/17/538161917.db2.gz VPDYFUPLAPOQIO-JTQLQIEISA-N 1 0 195.306 2.846 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)CC1CCOCC1 166338198 538161942 /nfs/dbraw/zinc/16/19/42/538161942.db2.gz ZRNCNHBQXGOQIP-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)CC1CCOCC1 166338421 538162070 /nfs/dbraw/zinc/16/20/70/538162070.db2.gz ZRNCNHBQXGOQIP-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCc1ccc([C@@H](C)[NH2+]CC2CC2)o1 166577974 538162075 /nfs/dbraw/zinc/16/20/75/538162075.db2.gz XOLNIJFVJBUWEJ-SECBINFHSA-N 1 0 193.290 2.903 20 0 AFADRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CC1 166647760 538162232 /nfs/dbraw/zinc/16/22/32/538162232.db2.gz SEKGKKJVPHOJFL-ZETCQYMHSA-N 1 0 195.228 2.860 20 0 AFADRO CCCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 166341645 538162319 /nfs/dbraw/zinc/16/23/19/538162319.db2.gz FYFLOKMHGYWLJY-NEPJUHHUSA-N 1 0 199.338 2.581 20 0 AFADRO CCCCC[NH2+][C@H](CC)[C@@H]1CCOC1 166341760 538162331 /nfs/dbraw/zinc/16/23/31/538162331.db2.gz FYFLOKMHGYWLJY-VXGBXAGGSA-N 1 0 199.338 2.581 20 0 AFADRO CCCCC[NH2+][C@@H](C)C1CCOCC1 166343606 538162618 /nfs/dbraw/zinc/16/26/18/538162618.db2.gz LSMHFLZMQQDFKM-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1CC1 166509330 538162648 /nfs/dbraw/zinc/16/26/48/538162648.db2.gz DZSAEJHKAVRLRW-BQBZGAKWSA-N 1 0 195.228 2.715 20 0 AFADRO CC1CC([NH2+]CCc2ccccc2)C1 166613423 538162929 /nfs/dbraw/zinc/16/29/29/538162929.db2.gz PYAATSGYQXTXSB-UHFFFAOYSA-N 1 0 189.302 2.617 20 0 AFADRO CCCCC[NH2+][C@@H](CC)[C@H]1CCOC1 166341871 538162953 /nfs/dbraw/zinc/16/29/53/538162953.db2.gz FYFLOKMHGYWLJY-RYUDHWBXSA-N 1 0 199.338 2.581 20 0 AFADRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)C1CC1 166509684 538163198 /nfs/dbraw/zinc/16/31/98/538163198.db2.gz DZSAEJHKAVRLRW-RNFRBKRXSA-N 1 0 195.228 2.715 20 0 AFADRO CC1CC([NH2+]CCC(C)(C)C)C1 166623887 538163463 /nfs/dbraw/zinc/16/34/63/538163463.db2.gz OBRSPSBTJKXNHF-UHFFFAOYSA-N 1 0 169.312 2.811 20 0 AFADRO CC[C@@H](C)[NH2+][C@@H](C)CC1CCOCC1 166338087 538163488 /nfs/dbraw/zinc/16/34/88/538163488.db2.gz ZRNCNHBQXGOQIP-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]([NH2+][C@H](C)CC(F)(F)F)C1CC1 166509440 538163545 /nfs/dbraw/zinc/16/35/45/538163545.db2.gz DZSAEJHKAVRLRW-RQJHMYQMSA-N 1 0 195.228 2.715 20 0 AFADRO C[C@@H]1C[C@H]1C[NH2+]CCCC(F)(F)F 166877669 538164415 /nfs/dbraw/zinc/16/44/15/538164415.db2.gz NMATVQNZWXCGKU-SFYZADRCSA-N 1 0 195.228 2.575 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]CCc1cccs1 166900656 538164949 /nfs/dbraw/zinc/16/49/49/538164949.db2.gz XIMPBCNAABNZCQ-UWVGGRQHSA-N 1 0 195.331 2.536 20 0 AFADRO C[C@H]1C[C@@H]1C[NH2+]CCCC(F)(F)F 166877545 538164990 /nfs/dbraw/zinc/16/49/90/538164990.db2.gz NMATVQNZWXCGKU-JGVFFNPUSA-N 1 0 195.228 2.575 20 0 AFADRO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1 166723073 538165067 /nfs/dbraw/zinc/16/50/67/538165067.db2.gz VFSKXKITUUMFFJ-WCQYABFASA-N 1 0 189.302 2.774 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]CCCC(F)(F)F 166877770 538165116 /nfs/dbraw/zinc/16/51/16/538165116.db2.gz NMATVQNZWXCGKU-YUMQZZPRSA-N 1 0 195.228 2.575 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH2+]CCc1cccs1 166900303 538165136 /nfs/dbraw/zinc/16/51/36/538165136.db2.gz XIMPBCNAABNZCQ-NXEZZACHSA-N 1 0 195.331 2.536 20 0 AFADRO CC(C)[C@@H]([NH2+]Cc1ccoc1)C1CC1 166766396 538165251 /nfs/dbraw/zinc/16/52/51/538165251.db2.gz OQCLSTVNWVQENS-GFCCVEGCSA-N 1 0 193.290 2.804 20 0 AFADRO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccccc1 166723301 538165342 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195.331 2.536 20 0 AFADRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@H](C)C1 166978948 538167332 /nfs/dbraw/zinc/16/73/32/538167332.db2.gz VMSDWJGFLHYSPL-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@H]1C 166984890 538167357 /nfs/dbraw/zinc/16/73/57/538167357.db2.gz TVLRNLMXLKMBFH-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)[C@@H]([NH2+]CC1CCC1)C1CC1 166962995 538167479 /nfs/dbraw/zinc/16/74/79/538167479.db2.gz PPCFZTXOLOKORO-GFCCVEGCSA-N 1 0 181.323 2.811 20 0 AFADRO COCCCCC[NH2+][C@H](C)CC1CC1 167138722 538167659 /nfs/dbraw/zinc/16/76/59/538167659.db2.gz QIQOFBMMIXNCBQ-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H]([NH2+]CCCCCOC)C1CC1 167140979 538167822 /nfs/dbraw/zinc/16/78/22/538167822.db2.gz QFFHHHCYZLYMAB-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C 166984574 538168018 /nfs/dbraw/zinc/16/80/18/538168018.db2.gz TVLRNLMXLKMBFH-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)CCC[NH2+]C[C@@H]1C[C@@H]1C 166961055 538168167 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20 0 AFADRO C[C@@H](CC1CC1)[NH2+]CCC1(C)CC1 388812977 538437616 /nfs/dbraw/zinc/43/76/16/538437616.db2.gz RPPNRBPEXFXFKJ-JTQLQIEISA-N 1 0 181.323 2.955 20 0 AFADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccoc1C 388823490 538437651 /nfs/dbraw/zinc/43/76/51/538437651.db2.gz LFBGILCZFZBUIO-PWSUYJOCSA-N 1 0 193.290 2.866 20 0 AFADRO C[C@H]([NH2+]CC1CC1)C1CCSCC1 388791427 538437658 /nfs/dbraw/zinc/43/76/58/538437658.db2.gz LYZOTFMLTWUSKT-VIFPVBQESA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCF 388807793 538437662 /nfs/dbraw/zinc/43/76/62/538437662.db2.gz QMUJFPJNSRLPJZ-NXEZZACHSA-N 1 0 187.302 2.760 20 0 AFADRO C[C@H](CC1CC1)[NH2+]CCC1(C)CC1 388812978 538437682 /nfs/dbraw/zinc/43/76/82/538437682.db2.gz RPPNRBPEXFXFKJ-SNVBAGLBSA-N 1 0 181.323 2.955 20 0 AFADRO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)OC 388825484 538437703 /nfs/dbraw/zinc/43/77/03/538437703.db2.gz LYMULLMREILPLO-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H](C[NH2+][C@H]1CCC1(C)C)C1CC1 388793553 538437713 /nfs/dbraw/zinc/43/77/13/538437713.db2.gz MOBDVOWSYBEZRO-KOLCDFICSA-N 1 0 181.323 2.811 20 0 AFADRO CC[C@@H]1CC[N@H+](CCCCCF)C1 388813688 538437720 /nfs/dbraw/zinc/43/77/20/538437720.db2.gz RTWCAUSKIZYLHK-LLVKDONJSA-N 1 0 187.302 2.858 20 0 AFADRO C[C@H](C[NH2+][C@@H]1CCC1(C)C)C1CC1 388793554 538437752 /nfs/dbraw/zinc/43/77/52/538437752.db2.gz MOBDVOWSYBEZRO-MWLCHTKSSA-N 1 0 181.323 2.811 20 0 AFADRO CC(C)C[N@H+](CC1CC1)C1CCC1 388797794 538437840 /nfs/dbraw/zinc/43/78/40/538437840.db2.gz NRSDUTPGUQPYJD-UHFFFAOYSA-N 1 0 181.323 2.907 20 0 AFADRO CCCC[C@@H](C)[N@H+](C)CCCOC 388786385 538437845 /nfs/dbraw/zinc/43/78/45/538437845.db2.gz KWERROQZKYJGFV-LLVKDONJSA-N 1 0 187.327 2.533 20 0 AFADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)OC 388825507 538437850 /nfs/dbraw/zinc/43/78/50/538437850.db2.gz LYMULLMREILPLO-TUAOUCFPSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)C1CC1 388793552 538437859 /nfs/dbraw/zinc/43/78/59/538437859.db2.gz MOBDVOWSYBEZRO-GXSJLCMTSA-N 1 0 181.323 2.811 20 0 AFADRO CC[C@H]1CC[N@H+](CCCCCF)C1 388813689 538437882 /nfs/dbraw/zinc/43/78/82/538437882.db2.gz RTWCAUSKIZYLHK-NSHDSACASA-N 1 0 187.302 2.858 20 0 AFADRO C[C@@H](C[NH2+][C@H]1CCC1(C)C)C1CC1 388793555 538437898 /nfs/dbraw/zinc/43/78/98/538437898.db2.gz MOBDVOWSYBEZRO-ONGXEEELSA-N 1 0 181.323 2.811 20 0 AFADRO CCCC[C@H](C)[N@H+](C)CCCOC 388786386 538437901 /nfs/dbraw/zinc/43/79/01/538437901.db2.gz KWERROQZKYJGFV-NSHDSACASA-N 1 0 187.327 2.533 20 0 AFADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccoc1C 388823494 538437958 /nfs/dbraw/zinc/43/79/58/538437958.db2.gz LFBGILCZFZBUIO-ZYHUDNBSSA-N 1 0 193.290 2.866 20 0 AFADRO Cc1ccoc1C[NH2+]C1(C2CC2)CC1 388818217 538437946 /nfs/dbraw/zinc/43/79/46/538437946.db2.gz HZZSVVLNZSDXFN-UHFFFAOYSA-N 1 0 191.274 2.620 20 0 AFADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)OC 388825523 538437968 /nfs/dbraw/zinc/43/79/68/538437968.db2.gz LYMULLMREILPLO-UTUOFQBUSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCF 388807796 538437995 /nfs/dbraw/zinc/43/79/95/538437995.db2.gz QMUJFPJNSRLPJZ-UWVGGRQHSA-N 1 0 187.302 2.760 20 0 AFADRO C[C@@H]1CC[C@@H]([NH2+]CCC2(C)CC2)C1 388894451 538438099 /nfs/dbraw/zinc/43/80/99/538438099.db2.gz LZUHMFDBCIVMIK-GHMZBOCLSA-N 1 0 181.323 2.955 20 0 AFADRO C[C@H]1CC[C@H]([NH2+]CCC2(C)CC2)C1 388894454 538438175 /nfs/dbraw/zinc/43/81/75/538438175.db2.gz LZUHMFDBCIVMIK-QWRGUYRKSA-N 1 0 181.323 2.955 20 0 AFADRO FCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 388840606 538438210 /nfs/dbraw/zinc/43/82/10/538438210.db2.gz YDKKQHHRDZWQSK-QWRGUYRKSA-N 1 0 185.286 2.514 20 0 AFADRO CC(C)[N@H+](CCCCF)CC1CC1 388883979 538438218 /nfs/dbraw/zinc/43/82/18/538438218.db2.gz JMGGPNQCCMARPI-UHFFFAOYSA-N 1 0 187.302 2.857 20 0 AFADRO C[C@@H]1CC[C@H]([NH2+]CCC2(C)CC2)C1 388894453 538438229 /nfs/dbraw/zinc/43/82/29/538438229.db2.gz LZUHMFDBCIVMIK-MNOVXSKESA-N 1 0 181.323 2.955 20 0 AFADRO FCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 388840614 538438242 /nfs/dbraw/zinc/43/82/42/538438242.db2.gz YDKKQHHRDZWQSK-WDEREUQCSA-N 1 0 185.286 2.514 20 0 AFADRO FCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 388840596 538438451 /nfs/dbraw/zinc/43/84/51/538438451.db2.gz YDKKQHHRDZWQSK-MNOVXSKESA-N 1 0 185.286 2.514 20 0 AFADRO FCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 388839662 538438432 /nfs/dbraw/zinc/43/84/32/538438432.db2.gz YDKKQHHRDZWQSK-GHMZBOCLSA-N 1 0 185.286 2.514 20 0 AFADRO CC1CCC(C[NH2+][C@H](C)CF)CC1 388936225 538438598 /nfs/dbraw/zinc/43/85/98/538438598.db2.gz VSMWYIGAQZDSGI-HSOILSAZSA-N 1 0 187.302 2.760 20 0 AFADRO CC(C)[C@H]1CCC[N@@H+]1CCCCF 388928804 538438629 /nfs/dbraw/zinc/43/86/29/538438629.db2.gz TXNHROYJLQDTJP-LLVKDONJSA-N 1 0 187.302 2.857 20 0 AFADRO CC(C)[N@H+](CCCCCF)C1CC1 388904688 538438767 /nfs/dbraw/zinc/43/87/67/538438767.db2.gz OBOKLIRRLVCHNB-UHFFFAOYSA-N 1 0 187.302 2.999 20 0 AFADRO CC(C)[N@H+](CCCF)CC1CCC1 388939046 538438774 /nfs/dbraw/zinc/43/87/74/538438774.db2.gz WQXUAVSMPWVSMJ-UHFFFAOYSA-N 1 0 187.302 2.857 20 0 AFADRO CC(C)[C@@H]1CCC[N@@H+]1CCCCF 388928805 538438789 /nfs/dbraw/zinc/43/87/89/538438789.db2.gz TXNHROYJLQDTJP-NSHDSACASA-N 1 0 187.302 2.857 20 0 AFADRO CCCC[NH2+]CC1(OC)CCCCC1 388984009 538438837 /nfs/dbraw/zinc/43/88/37/538438837.db2.gz QRGRQDWKVPSSJF-UHFFFAOYSA-N 1 0 199.338 2.725 20 0 AFADRO CCCC[C@H]([NH2+]CCOC)C1CCC1 388895361 538438889 /nfs/dbraw/zinc/43/88/89/538438889.db2.gz QYZWFYFJYSYFJW-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CCCC[C@@H]([NH2+]CCOC)C1CCC1 388895359 538438954 /nfs/dbraw/zinc/43/89/54/538438954.db2.gz QYZWFYFJYSYFJW-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CCCC[NH2+][C@H](CC)c1ccncc1 389200477 538439131 /nfs/dbraw/zinc/43/91/31/538439131.db2.gz DFGVYVNVZZZPSU-GFCCVEGCSA-N 1 0 192.306 2.922 20 0 AFADRO CCCC[NH2+][C@@H](CC)c1ccncc1 389200478 538439143 /nfs/dbraw/zinc/43/91/43/538439143.db2.gz DFGVYVNVZZZPSU-LBPRGKRZSA-N 1 0 192.306 2.922 20 0 AFADRO CC[C@]1([NH2+]CCCC(C)C)CCOC1 389213851 538439245 /nfs/dbraw/zinc/43/92/45/538439245.db2.gz JQWJLNHNFNSDLS-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@@]1([NH2+]CCC(C)(C)C)CCOC1 389226219 538439332 /nfs/dbraw/zinc/43/93/32/538439332.db2.gz QKUIURRZXIVQEF-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CCC1(C[NH2+][C@H](C)CCCOC)CC1 389213901 538439335 /nfs/dbraw/zinc/43/93/35/538439335.db2.gz JRQVXIAIMHLYDH-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC1(C[NH2+]CC23CCC(CC2)C3)CC1 389230957 538439415 /nfs/dbraw/zinc/43/94/15/538439415.db2.gz BGVZITGBHTWFJT-UHFFFAOYSA-N 1 0 193.334 2.956 20 0 AFADRO CCC1(C[NH2+][C@@H](C)CCCOC)CC1 389213902 538439425 /nfs/dbraw/zinc/43/94/25/538439425.db2.gz JRQVXIAIMHLYDH-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@@]1([NH2+]CCCC(C)C)CCOC1 389213849 538439478 /nfs/dbraw/zinc/43/94/78/538439478.db2.gz JQWJLNHNFNSDLS-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO COCC1([NH2+]CCC(C)(C)C)CCC1 389218165 538439490 /nfs/dbraw/zinc/43/94/90/538439490.db2.gz LOQPNOPCJSASDK-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@]1([NH2+]CCC(C)(C)C)CCOC1 389226220 538439526 /nfs/dbraw/zinc/43/95/26/538439526.db2.gz QKUIURRZXIVQEF-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCO1 389254842 538439619 /nfs/dbraw/zinc/43/96/19/538439619.db2.gz FSQCXXDJNCQUMV-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCO1 389254845 538439633 /nfs/dbraw/zinc/43/96/33/538439633.db2.gz FSQCXXDJNCQUMV-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@H](C)CC[NH2+][C@H]1CCC(C)(C)C1 389241088 538439640 /nfs/dbraw/zinc/43/96/40/538439640.db2.gz YFSVLHTZTCRXAL-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@H](C)CC[NH2+][C@@H]1CCC(C)(C)C1 389241087 538439646 /nfs/dbraw/zinc/43/96/46/538439646.db2.gz YFSVLHTZTCRXAL-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCO1 389254843 538439687 /nfs/dbraw/zinc/43/96/87/538439687.db2.gz FSQCXXDJNCQUMV-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO COCC(C)(C)C[NH2+]CCC=C(C)C 389247586 538439728 /nfs/dbraw/zinc/43/97/28/538439728.db2.gz BXFWXGWAPXFUIW-UHFFFAOYSA-N 1 0 199.338 2.605 20 0 AFADRO CCCC[C@H](COC)[NH2+]CCC1CC1 389257957 538439791 /nfs/dbraw/zinc/43/97/91/538439791.db2.gz FMUMJTIWJFTDAT-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CO[C@@H](C)CC[NH2+][C@@H]1CCC(C)(C)C1 389241090 538439803 /nfs/dbraw/zinc/43/98/03/538439803.db2.gz YFSVLHTZTCRXAL-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCO1 389254841 538439805 /nfs/dbraw/zinc/43/98/05/538439805.db2.gz FSQCXXDJNCQUMV-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@@H](C)CC[NH2+][C@H]1CCC(C)(C)C1 389241089 538439807 /nfs/dbraw/zinc/43/98/07/538439807.db2.gz YFSVLHTZTCRXAL-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO COC(C)(C)C[NH2+][C@@H](C)CCC1CC1 389260534 538439875 /nfs/dbraw/zinc/43/98/75/538439875.db2.gz GLAPXKOJKMTRRU-JTQLQIEISA-N 1 0 199.338 2.580 20 0 AFADRO COC(C)(C)C[NH2+][C@H](C)CCC1CC1 389260535 538439923 /nfs/dbraw/zinc/43/99/23/538439923.db2.gz GLAPXKOJKMTRRU-SNVBAGLBSA-N 1 0 199.338 2.580 20 0 AFADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CC1 389285153 538440145 /nfs/dbraw/zinc/44/01/45/538440145.db2.gz VASPIZXDYMIKQF-YPMHNXCESA-N 1 0 193.334 2.978 20 0 AFADRO CC1(C)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 389282890 538440160 /nfs/dbraw/zinc/44/01/60/538440160.db2.gz SVCCLXANVYGATC-NSHDSACASA-N 1 0 193.334 2.953 20 0 AFADRO CC(C)OCCC[NH2+]C1CC(C)(C)C1 389288133 538440216 /nfs/dbraw/zinc/44/02/16/538440216.db2.gz XCKSOGDJJBYRHO-UHFFFAOYSA-N 1 0 199.338 2.580 20 0 AFADRO COC1(C[NH2+]CC(C)C)CCCCC1 389282328 538440334 /nfs/dbraw/zinc/44/03/34/538440334.db2.gz SKXQBYFGWIBVMG-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO CC1(C)CC[C@H]1[NH2+]C(C1CC1)C1CC1 389282889 538440343 /nfs/dbraw/zinc/44/03/43/538440343.db2.gz SVCCLXANVYGATC-LLVKDONJSA-N 1 0 193.334 2.953 20 0 AFADRO CC[C@H](C[NH2+]C1CCCCCC1)OC 389287118 538440315 /nfs/dbraw/zinc/44/03/15/538440315.db2.gz WLNAHSMLUIFWKV-GFCCVEGCSA-N 1 0 199.338 2.724 20 0 AFADRO CC[C@@H](C[NH2+]C1CCCCCC1)OC 389287119 538440361 /nfs/dbraw/zinc/44/03/61/538440361.db2.gz WLNAHSMLUIFWKV-LBPRGKRZSA-N 1 0 199.338 2.724 20 0 AFADRO CC(C)(C)OCC[NH2+][C@@H]1CCC1(C)C 389272849 538440370 /nfs/dbraw/zinc/44/03/70/538440370.db2.gz MRAAWHKPYKLZEF-SNVBAGLBSA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)(C)OCC[NH2+][C@H]1CCC1(C)C 389272848 538440430 /nfs/dbraw/zinc/44/04/30/538440430.db2.gz MRAAWHKPYKLZEF-JTQLQIEISA-N 1 0 199.338 2.580 20 0 AFADRO CCC(C)(C)C[NH2+]Cc1ncc(C)o1 389294499 538440471 /nfs/dbraw/zinc/44/04/71/538440471.db2.gz JLKCWYZLMAUJNX-UHFFFAOYSA-N 1 0 196.294 2.509 20 0 AFADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CC1 389285152 538440618 /nfs/dbraw/zinc/44/06/18/538440618.db2.gz VASPIZXDYMIKQF-WCQYABFASA-N 1 0 193.334 2.978 20 0 AFADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CC1 389285150 538440621 /nfs/dbraw/zinc/44/06/21/538440621.db2.gz VASPIZXDYMIKQF-AAEUAGOBSA-N 1 0 193.334 2.978 20 0 AFADRO CCCc1cccc(C[NH2+]CCF)c1 389268618 538440655 /nfs/dbraw/zinc/44/06/55/538440655.db2.gz KPDWEBSMGUHIPH-UHFFFAOYSA-N 1 0 195.281 2.698 20 0 AFADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 389298162 538440782 /nfs/dbraw/zinc/44/07/82/538440782.db2.gz HMHUJIFEUSAVGX-IRCOFANPSA-N 1 0 199.338 2.578 20 0 AFADRO Cc1occc1C[NH2+][C@@H](C)CC1CC1 389295342 538440790 /nfs/dbraw/zinc/44/07/90/538440790.db2.gz JTUBKKREOWTINJ-VIFPVBQESA-N 1 0 193.290 2.866 20 0 AFADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 389298175 538440807 /nfs/dbraw/zinc/44/08/07/538440807.db2.gz HMHUJIFEUSAVGX-KKOKHZNYSA-N 1 0 199.338 2.578 20 0 AFADRO CC[C@H]1CCC[C@H]([NH2+][C@H](C)COC)C1 389294910 538440813 /nfs/dbraw/zinc/44/08/13/538440813.db2.gz JQSDLZBBRJCQQR-WOPDTQHZSA-N 1 0 199.338 2.580 20 0 AFADRO Cc1occc1C[NH2+][C@H](C)CC1CC1 389295341 538440826 /nfs/dbraw/zinc/44/08/26/538440826.db2.gz JTUBKKREOWTINJ-SECBINFHSA-N 1 0 193.290 2.866 20 0 AFADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H](C)C1 389298185 538440829 /nfs/dbraw/zinc/44/08/29/538440829.db2.gz HMHUJIFEUSAVGX-QCNOEVLYSA-N 1 0 199.338 2.578 20 0 AFADRO CCCC[C@@H](COC)[NH2+]CC1(C)CC1 389351405 538440947 /nfs/dbraw/zinc/44/09/47/538440947.db2.gz ODLZTUFAEZMUSO-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCCC[C@H](COC)[NH2+]CC1(C)CC1 389351404 538441333 /nfs/dbraw/zinc/44/13/33/538441333.db2.gz ODLZTUFAEZMUSO-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H]([NH2+]C1CC1)c1cccs1 20083048 541301229 /nfs/dbraw/zinc/30/12/29/541301229.db2.gz HLOXYLPBQIBGTK-VIFPVBQESA-N 1 0 181.304 2.951 20 0 AFADRO CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 19963345 541301286 /nfs/dbraw/zinc/30/12/86/541301286.db2.gz GDDOUJNGQPERTA-OUAUKWLOSA-N 1 0 169.312 2.811 20 0 AFADRO Cc1nc([C@H](C)[NH2+]C2CC2)c(C)s1 20083172 541301406 /nfs/dbraw/zinc/30/14/06/541301406.db2.gz UISZJHMFZLLZBE-LURJTMIESA-N 1 0 196.319 2.573 20 0 AFADRO CCC[NH2+]Cc1ccc(Cl)s1 20056588 541301656 /nfs/dbraw/zinc/30/16/56/541301656.db2.gz BWFTUMLTPPPPCF-UHFFFAOYSA-N 1 0 189.711 2.901 20 0 AFADRO CC(C)C1CCC2(CC1)[NH2+]CCS2 87602308 541303433 /nfs/dbraw/zinc/30/34/33/541303433.db2.gz GXVNXKGIGVAZSK-UHFFFAOYSA-N 1 0 199.363 2.865 20 0 AFADRO CC1(C)CCC[C@@]2(C1)[NH2+]CCS2 87602452 541303436 /nfs/dbraw/zinc/30/34/36/541303436.db2.gz JSZUBJGTTNMBBX-SNVBAGLBSA-N 1 0 185.336 2.619 20 0 AFADRO CC1CCC(C(C)(C)C[NH3+])CC1 87934639 541303480 /nfs/dbraw/zinc/30/34/80/541303480.db2.gz PHUHGAKQBFPMRL-UHFFFAOYSA-N 1 0 169.312 2.798 20 0 AFADRO CC1(C)CCC[C@]2(C1)[NH2+]CCS2 87602453 541303985 /nfs/dbraw/zinc/30/39/85/541303985.db2.gz JSZUBJGTTNMBBX-JTQLQIEISA-N 1 0 185.336 2.619 20 0 AFADRO [NH3+]C1(C2CCCCCCC2)CC1 87690636 541304005 /nfs/dbraw/zinc/30/40/05/541304005.db2.gz NTDAZDRIFNHOSD-UHFFFAOYSA-N 1 0 167.296 2.838 20 0 AFADRO CC1(C)CCC2(CC1)[NH2+]CCS2 87602350 541304157 /nfs/dbraw/zinc/30/41/57/541304157.db2.gz FCQBSXBJLYRAQY-UHFFFAOYSA-N 1 0 185.336 2.619 20 0 AFADRO CCC1CCC2(CC1)[NH2+]CCS2 87602450 541304320 /nfs/dbraw/zinc/30/43/20/541304320.db2.gz FUJMITRWCXTGFC-UHFFFAOYSA-N 1 0 185.336 2.619 20 0 AFADRO CC[N@H+](C)Cc1ccccc1Cl 144173238 541306192 /nfs/dbraw/zinc/30/61/92/541306192.db2.gz QBPDLGOLQLVCKY-UHFFFAOYSA-N 1 0 183.682 2.792 20 0 AFADRO CCCCC[N@@H+]1CC[C@@H](C)[C@@H]1C 144592534 541306274 /nfs/dbraw/zinc/30/62/74/541306274.db2.gz QJVOQLUXMYEBBX-MNOVXSKESA-N 1 0 169.312 2.907 20 0 AFADRO CCCCC[N@H+]1C[C@@H](C)[C@@H](C)C1 144593586 541306329 /nfs/dbraw/zinc/30/63/29/541306329.db2.gz KPJRLEFXRJHHCG-PHIMTYICSA-N 1 0 169.312 2.764 20 0 AFADRO CCCCC[NH+]1C[C@@H](C)[C@H](C)C1 144593988 541306339 /nfs/dbraw/zinc/30/63/39/541306339.db2.gz KPJRLEFXRJHHCG-GHMZBOCLSA-N 1 0 169.312 2.764 20 0 AFADRO CCCCC[N@@H+]1CC[C@H](C)[C@@H]1C 144592737 541306992 /nfs/dbraw/zinc/30/69/92/541306992.db2.gz QJVOQLUXMYEBBX-QWRGUYRKSA-N 1 0 169.312 2.907 20 0 AFADRO C[N@H+](Cc1ccco1)CC(C)(C)C 144116291 541307580 /nfs/dbraw/zinc/30/75/80/541307580.db2.gz PJXYZUUVSFFAGA-UHFFFAOYSA-N 1 0 181.279 2.758 20 0 AFADRO CCCCC[NH+]1C[C@H](C)[C@@H](C)C1 144593783 541307736 /nfs/dbraw/zinc/30/77/36/541307736.db2.gz KPJRLEFXRJHHCG-QWRGUYRKSA-N 1 0 169.312 2.764 20 0 AFADRO CCCCC[N@H+](C)CCCC 144581031 541307881 /nfs/dbraw/zinc/30/78/81/541307881.db2.gz LZACZNMVBAUTEA-UHFFFAOYSA-N 1 0 157.301 2.909 20 0 AFADRO C[C@@H]1CCC[C@H]1[NH2+]CCOC(C)(C)C 157633903 541308200 /nfs/dbraw/zinc/30/82/00/541308200.db2.gz OEJJABNKEBWDJY-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]1CCC[C@H]1[NH2+]CCOC(C)(C)C 157634051 541308329 /nfs/dbraw/zinc/30/83/29/541308329.db2.gz OEJJABNKEBWDJY-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@@H]1CCC[C@@H]1[NH2+]CCOC(C)(C)C 157633611 541308527 /nfs/dbraw/zinc/30/85/27/541308527.db2.gz OEJJABNKEBWDJY-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]1CCC[C@@H]1[NH2+]CCOC(C)(C)C 157633762 541308652 /nfs/dbraw/zinc/30/86/52/541308652.db2.gz OEJJABNKEBWDJY-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C)[N@H+](CC)CC(C)C 198907912 541313960 /nfs/dbraw/zinc/31/39/60/541313960.db2.gz VNMXODOAOPUHHU-JTQLQIEISA-N 1 0 157.301 2.763 20 0 AFADRO CCCC[C@H](C)[N@H+](C)CCC 199045293 541313971 /nfs/dbraw/zinc/31/39/71/541313971.db2.gz RXLVVMPERTTWQT-JTQLQIEISA-N 1 0 157.301 2.907 20 0 AFADRO CCCC[C@@H](C)[N@H+](C)CCC 199045282 541313977 /nfs/dbraw/zinc/31/39/77/541313977.db2.gz RXLVVMPERTTWQT-SNVBAGLBSA-N 1 0 157.301 2.907 20 0 AFADRO CC1CC[NH+](Cc2ccsc2)CC1 201077034 541314386 /nfs/dbraw/zinc/31/43/86/541314386.db2.gz KVRGGEJOZQYQEZ-UHFFFAOYSA-N 1 0 195.331 2.980 20 0 AFADRO CC[N@H+](C)Cc1cccc(Cl)c1 200990526 541314437 /nfs/dbraw/zinc/31/44/37/541314437.db2.gz YQUTVYGFRGRXBD-UHFFFAOYSA-N 1 0 183.682 2.792 20 0 AFADRO CCC[N@H+](C)Cc1ccccc1C 202538274 541315108 /nfs/dbraw/zinc/31/51/08/541315108.db2.gz QALCJLUGJYEPKR-UHFFFAOYSA-N 1 0 177.291 2.837 20 0 AFADRO CCC[N@@H+]1CCC[C@H](C(C)C)C1 202742131 541315242 /nfs/dbraw/zinc/31/52/42/541315242.db2.gz BHSVXZQHVPSWER-NSHDSACASA-N 1 0 169.312 2.764 20 0 AFADRO CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 202522858 541315349 /nfs/dbraw/zinc/31/53/49/541315349.db2.gz RKIJGWZMDNOONE-SNVBAGLBSA-N 1 0 169.312 2.764 20 0 AFADRO CCCCC[N@H+](C)C(C)(C)C 202536980 541315451 /nfs/dbraw/zinc/31/54/51/541315451.db2.gz SUSJIDPOQFXULF-UHFFFAOYSA-N 1 0 157.301 2.907 20 0 AFADRO CCC[N@@H+]1CCC[C@@H](C(C)C)C1 202742146 541315468 /nfs/dbraw/zinc/31/54/68/541315468.db2.gz BHSVXZQHVPSWER-LLVKDONJSA-N 1 0 169.312 2.764 20 0 AFADRO F[C@H]1C[NH2+][C@@H](c2cccc(Cl)c2)C1 219910928 541317719 /nfs/dbraw/zinc/31/77/19/541317719.db2.gz YMBZKSJRKDGNID-NXEZZACHSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@H]1C[NH2+][C@H](c2ccc(Cl)cc2)C1 219910739 541317753 /nfs/dbraw/zinc/31/77/53/541317753.db2.gz CIQZPQZNPNNFSQ-ZJUUUORDSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@@H]1C[NH2+][C@@H](c2cccc(Cl)c2)C1 219910858 541317919 /nfs/dbraw/zinc/31/79/19/541317919.db2.gz YMBZKSJRKDGNID-VHSXEESVSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@H]1C[NH2+][C@@H](c2ccc(Cl)cc2)C1 219910769 541317904 /nfs/dbraw/zinc/31/79/04/541317904.db2.gz CIQZPQZNPNNFSQ-NXEZZACHSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@@H]1C[NH2+][C@@H](c2ccc(Cl)cc2)C1 219910706 541318048 /nfs/dbraw/zinc/31/80/48/541318048.db2.gz CIQZPQZNPNNFSQ-VHSXEESVSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@@H]1C[NH2+][C@H](c2ccc(Cl)cc2)C1 219910667 541318075 /nfs/dbraw/zinc/31/80/75/541318075.db2.gz CIQZPQZNPNNFSQ-UWVGGRQHSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@@H]1C[NH2+][C@H](c2cccc(Cl)c2)C1 219910827 541318152 /nfs/dbraw/zinc/31/81/52/541318152.db2.gz YMBZKSJRKDGNID-UWVGGRQHSA-N 1 0 199.656 2.713 20 0 AFADRO F[C@H]1C[NH2+][C@H](c2cccc(Cl)c2)C1 219910891 541318415 /nfs/dbraw/zinc/31/84/15/541318415.db2.gz YMBZKSJRKDGNID-ZJUUUORDSA-N 1 0 199.656 2.713 20 0 AFADRO CCC[C@@H]1C[C@H]1Nc1ccccn1 231662136 541321298 /nfs/dbraw/zinc/32/12/98/541321298.db2.gz IKSYHDKNTHHICS-NXEZZACHSA-N 1 0 176.263 2.682 20 0 AFADRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCSC1 306483118 541328890 /nfs/dbraw/zinc/32/88/90/541328890.db2.gz MHEDPYHDCQLLQZ-OUAUKWLOSA-N 1 0 199.363 2.660 20 0 AFADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCSC1 306483116 541328911 /nfs/dbraw/zinc/32/89/11/541328911.db2.gz MHEDPYHDCQLLQZ-MXWKQRLJSA-N 1 0 199.363 2.660 20 0 AFADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCSC1 306483115 541328981 /nfs/dbraw/zinc/32/89/81/541328981.db2.gz MHEDPYHDCQLLQZ-GMTAPVOTSA-N 1 0 199.363 2.660 20 0 AFADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCSC1 306483120 541329103 /nfs/dbraw/zinc/32/91/03/541329103.db2.gz MHEDPYHDCQLLQZ-VWYCJHECSA-N 1 0 199.363 2.660 20 0 AFADRO CO[C@@H](C)CC[NH2+][C@H](C)CCC1CC1 389318068 541343198 /nfs/dbraw/zinc/34/31/98/541343198.db2.gz QWPUXAOSJKRCOV-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H](CC1CC1)[NH2+][C@H]1CSC[C@@H]1C 379373609 541338159 /nfs/dbraw/zinc/33/81/59/541338159.db2.gz XIEZPHZALTZXOC-NGZCFLSTSA-N 1 0 199.363 2.516 20 0 AFADRO C[C@H](CC1CC1)[NH2+][C@@H]1CSC[C@@H]1C 379373607 541338394 /nfs/dbraw/zinc/33/83/94/541338394.db2.gz XIEZPHZALTZXOC-IQJOONFLSA-N 1 0 199.363 2.516 20 0 AFADRO C[C@@H]1CSC[C@H]1[NH2+][C@H](C)CC1CC1 379373606 541338435 /nfs/dbraw/zinc/33/84/35/541338435.db2.gz XIEZPHZALTZXOC-FXPVBKGRSA-N 1 0 199.363 2.516 20 0 AFADRO CC/C=C\CC[NH2+]C1(C2CC2)CC1 379373965 541338618 /nfs/dbraw/zinc/33/86/18/541338618.db2.gz XZDCUJADCKAOCB-ARJAWSKDSA-N 1 0 179.307 2.875 20 0 AFADRO CC/C=C/CC[NH2+]C1(C2CC2)CC1 379373966 541338751 /nfs/dbraw/zinc/33/87/51/541338751.db2.gz XZDCUJADCKAOCB-ONEGZZNKSA-N 1 0 179.307 2.875 20 0 AFADRO C[C@@H]1CSC[C@@H]1[NH2+][C@H](C)CC1CC1 379373608 541338757 /nfs/dbraw/zinc/33/87/57/541338757.db2.gz XIEZPHZALTZXOC-KKZNHRDASA-N 1 0 199.363 2.516 20 0 AFADRO CC[N@H+](CCCF)[C@@H](C)C(C)C 388381264 541341228 /nfs/dbraw/zinc/34/12/28/541341228.db2.gz PFSCTJYFNZIOPQ-JTQLQIEISA-N 1 0 175.291 2.712 20 0 AFADRO FCCCCC[NH+]1CCCCC1 388380521 541341266 /nfs/dbraw/zinc/34/12/66/541341266.db2.gz MZJKUKGEGOSZLM-UHFFFAOYSA-N 1 0 173.275 2.612 20 0 AFADRO FCCC[N@@H+](C1CCCC1)C1CC1 388351249 541341337 /nfs/dbraw/zinc/34/13/37/541341337.db2.gz ONSPWOPECYYMNE-UHFFFAOYSA-N 1 0 185.286 2.753 20 0 AFADRO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C1CC1 388349443 541341656 /nfs/dbraw/zinc/34/16/56/541341656.db2.gz NVLVTLFVSIVXFF-DVVUODLYSA-N 1 0 199.363 2.659 20 0 AFADRO CC[N@H+](CCCCF)CC1CCC1 388374140 541341683 /nfs/dbraw/zinc/34/16/83/541341683.db2.gz YMPZMCAQEODDMW-UHFFFAOYSA-N 1 0 187.302 2.858 20 0 AFADRO CC[N@H+](CCCF)[C@H](C)C(C)C 388381265 541341812 /nfs/dbraw/zinc/34/18/12/541341812.db2.gz PFSCTJYFNZIOPQ-SNVBAGLBSA-N 1 0 175.291 2.712 20 0 AFADRO FCCC[N@H+](CC1CC1)C1CCC1 388370104 541342240 /nfs/dbraw/zinc/34/22/40/541342240.db2.gz WYCWAJQALSGGQL-UHFFFAOYSA-N 1 0 185.286 2.611 20 0 AFADRO CCCCC[NH2+][C@H](C)[C@]1(C)CCCO1 389337837 541342509 /nfs/dbraw/zinc/34/25/09/541342509.db2.gz XFDVJXHNVMLVMX-NEPJUHHUSA-N 1 0 199.338 2.724 20 0 AFADRO CO[C@@H](C)CC[NH2+][C@@H](C)CCC1CC1 389318069 541342582 /nfs/dbraw/zinc/34/25/82/541342582.db2.gz QWPUXAOSJKRCOV-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@H](C)CC[NH2+][C@@H](C)CCC1CC1 389318070 541342740 /nfs/dbraw/zinc/34/27/40/541342740.db2.gz QWPUXAOSJKRCOV-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H]1CC[C@H]1[NH2+]CCCOC(C)C 389327458 541342832 /nfs/dbraw/zinc/34/28/32/541342832.db2.gz TZQQLARETMSTQV-NWDGAFQWSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@@H](C)[C@]1(C)CCCO1 389337839 541342866 /nfs/dbraw/zinc/34/28/66/541342866.db2.gz XFDVJXHNVMLVMX-RYUDHWBXSA-N 1 0 199.338 2.724 20 0 AFADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCOC(C)C 389327451 541342881 /nfs/dbraw/zinc/34/28/81/541342881.db2.gz TZQQLARETMSTQV-NEPJUHHUSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@H](C)CC[NH2+][C@H](C)CCC1CC1 389318066 541342997 /nfs/dbraw/zinc/34/29/97/541342997.db2.gz QWPUXAOSJKRCOV-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)CF)C1 389308501 541343101 /nfs/dbraw/zinc/34/31/01/541343101.db2.gz OFKGBUBSNRHLER-WCQGTBRESA-N 1 0 199.313 2.926 20 0 AFADRO C[C@H](CCC1CC1)[NH2+]Cc1cc[nH]c1 389306063 541343149 /nfs/dbraw/zinc/34/31/49/541343149.db2.gz NPBHGJJGZZFXPN-SNVBAGLBSA-N 1 0 192.306 2.683 20 0 AFADRO CC[C@H]1CC[C@@H]1[NH2+]CCCOC(C)C 389327466 541343183 /nfs/dbraw/zinc/34/31/83/541343183.db2.gz TZQQLARETMSTQV-RYUDHWBXSA-N 1 0 199.338 2.580 20 0 AFADRO C1=CC[C@@H](C[NH2+]C2(C3CC3)CC2)CC1 389304334 541343286 /nfs/dbraw/zinc/34/32/86/541343286.db2.gz NENYXEXUVHRZOT-LLVKDONJSA-N 1 0 191.318 2.875 20 0 AFADRO COCCC[C@@H](C)[NH2+]CCC1(C)CC1 389328834 541343401 /nfs/dbraw/zinc/34/34/01/541343401.db2.gz UJOLQZDBYSUQNS-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)CF)C1 389308465 541343415 /nfs/dbraw/zinc/34/34/15/541343415.db2.gz OFKGBUBSNRHLER-MVWJERBFSA-N 1 0 199.313 2.926 20 0 AFADRO CCCCC[NH2+][C@H](C)[C@@]1(C)CCCO1 389337840 541343461 /nfs/dbraw/zinc/34/34/61/541343461.db2.gz XFDVJXHNVMLVMX-VXGBXAGGSA-N 1 0 199.338 2.724 20 0 AFADRO C[C@@H](CCC1CC1)[NH2+]Cc1cc[nH]c1 389306062 541343558 /nfs/dbraw/zinc/34/35/58/541343558.db2.gz NPBHGJJGZZFXPN-JTQLQIEISA-N 1 0 192.306 2.683 20 0 AFADRO C1=CC[C@H](C[NH2+]C2(C3CC3)CC2)CC1 389304335 541343581 /nfs/dbraw/zinc/34/35/81/541343581.db2.gz NENYXEXUVHRZOT-NSHDSACASA-N 1 0 191.318 2.875 20 0 AFADRO CC[C@@H]1CC[C@H]1[NH2+]CCCOC(C)C 389327476 541343696 /nfs/dbraw/zinc/34/36/96/541343696.db2.gz TZQQLARETMSTQV-VXGBXAGGSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 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/nfs/dbraw/zinc/26/09/33/757260933.db2.gz MCAWJWPMVVHDGT-DJWKRKHSSA-N 1 0 185.698 2.661 20 0 AFADRO Cl/C=C/C[NH2+]C1CC2(CCC2)C1 642826898 757262264 /nfs/dbraw/zinc/26/22/64/757262264.db2.gz MCAWJWPMVVHDGT-GORDUTHDSA-N 1 0 185.698 2.661 20 0 AFADRO CSC1CC([NH2+][C@H]2CC=CCC2)C1 642823330 757262379 /nfs/dbraw/zinc/26/23/79/757262379.db2.gz NPPPRDBJLFTMQA-WHXUTIOJSA-N 1 0 197.347 2.579 20 0 AFADRO C[C@@H]([NH2+]C1CCCC1)C1(Cl)CC1 642844358 757268014 /nfs/dbraw/zinc/26/80/14/757268014.db2.gz YQEJCAGABWVLBG-MRVPVSSYSA-N 1 0 187.714 2.679 20 0 AFADRO C[C@H]([NH2+]C1CCCC1)C1(Cl)CC1 642844360 757268361 /nfs/dbraw/zinc/26/83/61/757268361.db2.gz YQEJCAGABWVLBG-QMMMGPOBSA-N 1 0 187.714 2.679 20 0 AFADRO CCCCC[C@H](C)[NH2+]C[C@H]1CCOC1 36792467 572069433 /nfs/dbraw/zinc/06/94/33/572069433.db2.gz UDMNWOHELWFFRU-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO CC1(C)CC([NH2+]C[C@@H]2C=CCC2)C1 642872475 757283555 /nfs/dbraw/zinc/28/35/55/757283555.db2.gz CJLHZVGMFZCDFI-SNVBAGLBSA-N 1 0 179.307 2.731 20 0 AFADRO CC1(C)CC([NH2+]C[C@H]2C=CCC2)C1 642872474 757290149 /nfs/dbraw/zinc/29/01/49/757290149.db2.gz CJLHZVGMFZCDFI-JTQLQIEISA-N 1 0 179.307 2.731 20 0 AFADRO CCCCC[C@H](C)[NH2+][C@H]1COC[C@H]1C 688022314 757323785 /nfs/dbraw/zinc/32/37/85/757323785.db2.gz PBXFAKRIKRMCTP-WOPDTQHZSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1C 688022310 757324892 /nfs/dbraw/zinc/32/48/92/757324892.db2.gz PBXFAKRIKRMCTP-SDDRHHMPSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[C@H](C)[NH2+][C@H]1COC[C@@H]1C 688022312 757326291 /nfs/dbraw/zinc/32/62/91/757326291.db2.gz PBXFAKRIKRMCTP-SRVKXCTJSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1C 688022308 757327874 /nfs/dbraw/zinc/32/78/74/757327874.db2.gz PBXFAKRIKRMCTP-GRYCIOLGSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]1CC[C@H]1[NH2+]CCCC1CCC1 688348123 757334619 /nfs/dbraw/zinc/33/46/19/757334619.db2.gz LSVPUHGRUULCAB-CMPLNLGQSA-N 1 0 181.323 2.955 20 0 AFADRO C[C@@H]1CC[C@H]1[NH2+]CCCC1CCC1 688348128 757337245 /nfs/dbraw/zinc/33/72/45/757337245.db2.gz LSVPUHGRUULCAB-ZYHUDNBSSA-N 1 0 181.323 2.955 20 0 AFADRO C[C@H]1CC[C@@H]1[NH2+]CCCC1CCC1 688348125 757337807 /nfs/dbraw/zinc/33/78/07/757337807.db2.gz LSVPUHGRUULCAB-JQWIXIFHSA-N 1 0 181.323 2.955 20 0 AFADRO C[C@@H]1CC[C@@H]1[NH2+]CCCC1CCC1 688348126 757339473 /nfs/dbraw/zinc/33/94/73/757339473.db2.gz LSVPUHGRUULCAB-PWSUYJOCSA-N 1 0 181.323 2.955 20 0 AFADRO CCSC1(C[NH2+][C@@H]2CC[C@H]2C)CC1 691863846 757362040 /nfs/dbraw/zinc/36/20/40/757362040.db2.gz FEFIZRJKWVVTEC-NXEZZACHSA-N 1 0 199.363 2.660 20 0 AFADRO CCSC1(C[NH2+][C@H]2CC[C@@H]2C)CC1 691863848 757363385 /nfs/dbraw/zinc/36/33/85/757363385.db2.gz FEFIZRJKWVVTEC-UWVGGRQHSA-N 1 0 199.363 2.660 20 0 AFADRO CCCC[NH2+]CC1(SCC)CC1 691867583 757367531 /nfs/dbraw/zinc/36/75/31/757367531.db2.gz WJJLSRJUCATZEA-UHFFFAOYSA-N 1 0 187.352 2.662 20 0 AFADRO CCSC1(C[NH2+][C@@H]2CC[C@@H]2C)CC1 691863849 757367897 /nfs/dbraw/zinc/36/78/97/757367897.db2.gz FEFIZRJKWVVTEC-VHSXEESVSA-N 1 0 199.363 2.660 20 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757409608 /nfs/dbraw/zinc/40/96/08/757409608.db2.gz PLCCDAVMKDJPBT-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@@H](C)[NH2+][C@@H](C)C1(Cl)CC1 695656800 757409656 /nfs/dbraw/zinc/40/96/56/757409656.db2.gz FCPJXOPVWYIKFI-BDAKNGLRSA-N 1 0 189.730 2.925 20 0 AFADRO C[C@H]([NH2+][C@@H]1C=CCC1)C(C)(C)C 695653858 757409831 /nfs/dbraw/zinc/40/98/31/757409831.db2.gz FDXHHGKYOMXJLO-VHSXEESVSA-N 1 0 167.296 2.729 20 0 AFADRO C[C@H]([NH2+]Cc1ccoc1)C1(Cl)CC1 695695398 757409852 /nfs/dbraw/zinc/40/98/52/757409852.db2.gz FPXJUWCPUKLCMU-QMMMGPOBSA-N 1 0 199.681 2.529 20 0 AFADRO C[C@H]([NH2+][C@H](C)C1CC1)C1(Cl)CC1 695660435 757409892 /nfs/dbraw/zinc/40/98/92/757409892.db2.gz XANPJWISOTWHAB-SFYZADRCSA-N 1 0 187.714 2.534 20 0 AFADRO CC[C@@H](C)[NH2+][C@@H](C)C1(Cl)CC1 695655348 757410525 /nfs/dbraw/zinc/41/05/25/757410525.db2.gz LTBZCGLPVOGGBF-SFYZADRCSA-N 1 0 175.703 2.534 20 0 AFADRO CCCC[NH2+]CCCOC(C)(C)C 695262175 757410623 /nfs/dbraw/zinc/41/06/23/757410623.db2.gz GXOFWYUMTVPSQU-UHFFFAOYSA-N 1 0 187.327 2.581 20 0 AFADRO C[C@H]([NH2+]CC1(C)CC1)C1(Cl)CC1 695658767 757410673 /nfs/dbraw/zinc/41/06/73/757410673.db2.gz OOLBYNJNFMRQSA-QMMMGPOBSA-N 1 0 187.714 2.536 20 0 AFADRO C[C@H]1CC[C@H]1[NH2+]CCCOC(C)(C)C 695263162 757411039 /nfs/dbraw/zinc/41/10/39/757411039.db2.gz PLCCDAVMKDJPBT-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@H](C)C1(Cl)CC1 695657289 757411064 /nfs/dbraw/zinc/41/10/64/757411064.db2.gz HFUHMTYRQWAQOJ-SECBINFHSA-N 1 0 189.730 2.926 20 0 AFADRO CCC[C@@H](C)[NH2+][C@H](C)C1(Cl)CC1 695656803 757411305 /nfs/dbraw/zinc/41/13/05/757411305.db2.gz FCPJXOPVWYIKFI-RKDXNWHRSA-N 1 0 189.730 2.925 20 0 AFADRO CC[C@H](C)[NH2+][C@H](C)C1(Cl)CC1 695655346 757411480 /nfs/dbraw/zinc/41/14/80/757411480.db2.gz LTBZCGLPVOGGBF-JGVFFNPUSA-N 1 0 175.703 2.534 20 0 AFADRO CCCCC[NH2+][C@@H](C)C1(Cl)CC1 695657290 757411587 /nfs/dbraw/zinc/41/15/87/757411587.db2.gz HFUHMTYRQWAQOJ-VIFPVBQESA-N 1 0 189.730 2.926 20 0 AFADRO CCC(CC)[NH2+][C@H](C)C1(Cl)CC1 695669919 757411726 /nfs/dbraw/zinc/41/17/26/757411726.db2.gz YLNMAPHCMVUINH-MRVPVSSYSA-N 1 0 189.730 2.925 20 0 AFADRO C[C@@H]([NH2+][C@@H]1C=CCC1)C(C)(C)C 695653856 757411769 /nfs/dbraw/zinc/41/17/69/757411769.db2.gz FDXHHGKYOMXJLO-NXEZZACHSA-N 1 0 167.296 2.729 20 0 AFADRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)C1CC1 695660428 757412286 /nfs/dbraw/zinc/41/22/86/757412286.db2.gz XANPJWISOTWHAB-HTQZYQBOSA-N 1 0 187.714 2.534 20 0 AFADRO CCCC[NH2+][C@@H](C)C1(Cl)CC1 695657126 757412337 /nfs/dbraw/zinc/41/23/37/757412337.db2.gz USIAUIRKJSKWFH-QMMMGPOBSA-N 1 0 175.703 2.536 20 0 AFADRO C[C@@H]([NH2+]CC1(C)CC1)C1(Cl)CC1 695658766 757413125 /nfs/dbraw/zinc/41/31/25/757413125.db2.gz OOLBYNJNFMRQSA-MRVPVSSYSA-N 1 0 187.714 2.536 20 0 AFADRO C[C@H]([NH2+]Cc1ccco1)C1(Cl)CC1 695697481 757413145 /nfs/dbraw/zinc/41/31/45/757413145.db2.gz SYHAJYNBHMOVSL-QMMMGPOBSA-N 1 0 199.681 2.529 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)C1(Cl)CC1 695655350 757413248 /nfs/dbraw/zinc/41/32/48/757413248.db2.gz LTBZCGLPVOGGBF-YUMQZZPRSA-N 1 0 175.703 2.534 20 0 AFADRO CCCC[NH2+][C@H](C)C1(Cl)CC1 695657124 757413325 /nfs/dbraw/zinc/41/33/25/757413325.db2.gz USIAUIRKJSKWFH-MRVPVSSYSA-N 1 0 175.703 2.536 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C)C1(Cl)CC1 695655344 757413570 /nfs/dbraw/zinc/41/35/70/757413570.db2.gz LTBZCGLPVOGGBF-HTQZYQBOSA-N 1 0 175.703 2.534 20 0 AFADRO CCC[C@H](C)[NH2+][C@H](C)C1(Cl)CC1 695656801 757413614 /nfs/dbraw/zinc/41/36/14/757413614.db2.gz FCPJXOPVWYIKFI-DTWKUNHWSA-N 1 0 189.730 2.925 20 0 AFADRO C[C@@H]([NH2+][C@H]1C=CCC1)C(C)(C)C 695653859 757413834 /nfs/dbraw/zinc/41/38/34/757413834.db2.gz FDXHHGKYOMXJLO-ZJUUUORDSA-N 1 0 167.296 2.729 20 0 AFADRO C[C@@H]([NH2+]CCC1CC1)C1(Cl)CC1 695656395 757413866 /nfs/dbraw/zinc/41/38/66/757413866.db2.gz BIRNPYFMFVJTPL-MRVPVSSYSA-N 1 0 187.714 2.536 20 0 AFADRO C[C@@H]1CC[C@H]1[NH2+]CCCOC(C)(C)C 695263156 757414426 /nfs/dbraw/zinc/41/44/26/757414426.db2.gz PLCCDAVMKDJPBT-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)CC[NH2+][C@H](C)C1(Cl)CC1 695658383 757414792 /nfs/dbraw/zinc/41/47/92/757414792.db2.gz NLNRPSQBQYKGST-SECBINFHSA-N 1 0 189.730 2.782 20 0 AFADRO C[C@@H]([NH2+]Cc1ccoc1)C1(Cl)CC1 695695397 757415123 /nfs/dbraw/zinc/41/51/23/757415123.db2.gz FPXJUWCPUKLCMU-MRVPVSSYSA-N 1 0 199.681 2.529 20 0 AFADRO C[C@H]([NH2+][C@H]1C=CCC1)C(C)(C)C 695653857 757415148 /nfs/dbraw/zinc/41/51/48/757415148.db2.gz FDXHHGKYOMXJLO-UWVGGRQHSA-N 1 0 167.296 2.729 20 0 AFADRO CCC(CC)[NH2+][C@@H](C)C1(Cl)CC1 695669920 757415171 /nfs/dbraw/zinc/41/51/71/757415171.db2.gz YLNMAPHCMVUINH-QMMMGPOBSA-N 1 0 189.730 2.925 20 0 AFADRO CCC[C@H](C)[NH2+][C@@H](C)C1(Cl)CC1 695656802 757415314 /nfs/dbraw/zinc/41/53/14/757415314.db2.gz FCPJXOPVWYIKFI-IUCAKERBSA-N 1 0 189.730 2.925 20 0 AFADRO C[C@@H]([NH2+]Cc1ccco1)C1(Cl)CC1 695697478 757415344 /nfs/dbraw/zinc/41/53/44/757415344.db2.gz SYHAJYNBHMOVSL-MRVPVSSYSA-N 1 0 199.681 2.529 20 0 AFADRO C[C@H]([NH2+]CCC1CC1)C1(Cl)CC1 695656396 757415874 /nfs/dbraw/zinc/41/58/74/757415874.db2.gz BIRNPYFMFVJTPL-QMMMGPOBSA-N 1 0 187.714 2.536 20 0 AFADRO CC(C)CC[NH2+][C@@H](C)C1(Cl)CC1 695658384 757416063 /nfs/dbraw/zinc/41/60/63/757416063.db2.gz NLNRPSQBQYKGST-VIFPVBQESA-N 1 0 189.730 2.782 20 0 AFADRO Cl/C=C/C[NH2+]C1(C2CCC2)CC1 697433195 757423442 /nfs/dbraw/zinc/42/34/42/757423442.db2.gz XGCZZOGGYOQICJ-FARCUNLSSA-N 1 0 185.698 2.661 20 0 AFADRO C(C[NH2+]C1(C2CC2)CC1)CC1CC1 697370622 757423725 /nfs/dbraw/zinc/42/37/25/757423725.db2.gz JTACCQKSPJEUPU-UHFFFAOYSA-N 1 0 179.307 2.709 20 0 AFADRO Cl/C=C\C[NH2+]C1(C2CCC2)CC1 697433196 757425712 /nfs/dbraw/zinc/42/57/12/757425712.db2.gz XGCZZOGGYOQICJ-UQCOIBPSSA-N 1 0 185.698 2.661 20 0 AFADRO CSC(C)(C)CC[NH2+][C@@H]1C=CCC1 698193535 757442890 /nfs/dbraw/zinc/44/28/90/757442890.db2.gz AAWFHMSNYDOCFV-SNVBAGLBSA-N 1 0 199.363 2.826 20 0 AFADRO CSC(C)(C)CC[NH2+][C@H]1C=CCC1 698193529 757444641 /nfs/dbraw/zinc/44/46/41/757444641.db2.gz AAWFHMSNYDOCFV-JTQLQIEISA-N 1 0 199.363 2.826 20 0 AFADRO CC[C@@H]([NH2+][C@@H]1C=CCC1)C1CCC1 698193682 757449408 /nfs/dbraw/zinc/44/94/08/757449408.db2.gz BDMIWBOBXKIVDZ-VXGBXAGGSA-N 1 0 179.307 2.873 20 0 AFADRO CC[C@H]([NH2+][C@@H]1C=CCC1)[C@H]1C[C@@H]1C 698204149 757449647 /nfs/dbraw/zinc/44/96/47/757449647.db2.gz JTFZWOJJXTVIRI-USZNOCQGSA-N 1 0 179.307 2.729 20 0 AFADRO CC[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1C[C@H]1C 698204147 757449702 /nfs/dbraw/zinc/44/97/02/757449702.db2.gz JTFZWOJJXTVIRI-KKOKHZNYSA-N 1 0 179.307 2.729 20 0 AFADRO CC[C@H]([NH2+][C@H]1C=CCC1)C1CCC1 698193681 757450313 /nfs/dbraw/zinc/45/03/13/757450313.db2.gz BDMIWBOBXKIVDZ-RYUDHWBXSA-N 1 0 179.307 2.873 20 0 AFADRO CC[C@H]([NH2+][C@@H]1C=CCC1)C1CCC1 698193679 757451189 /nfs/dbraw/zinc/45/11/89/757451189.db2.gz BDMIWBOBXKIVDZ-NEPJUHHUSA-N 1 0 179.307 2.873 20 0 AFADRO CC[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1C[C@@H]1C 698204148 757451206 /nfs/dbraw/zinc/45/12/06/757451206.db2.gz JTFZWOJJXTVIRI-QCNOEVLYSA-N 1 0 179.307 2.729 20 0 AFADRO CC[C@H]([NH2+][C@@H]1C=CCC1)[C@H]1C[C@H]1C 698204151 757451298 /nfs/dbraw/zinc/45/12/98/757451298.db2.gz JTFZWOJJXTVIRI-WYUUTHIRSA-N 1 0 179.307 2.729 20 0 AFADRO CC[C@@H]([NH2+][C@H]1C=CCC1)C1CCC1 698193680 757452730 /nfs/dbraw/zinc/45/27/30/757452730.db2.gz BDMIWBOBXKIVDZ-NWDGAFQWSA-N 1 0 179.307 2.873 20 0 AFADRO CSC1(C[NH2+][C@@H]2C=CCC2)CCC1 698284366 757453613 /nfs/dbraw/zinc/45/36/13/757453613.db2.gz MRFYUMSUYDHOEY-SNVBAGLBSA-N 1 0 197.347 2.580 20 0 AFADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1cncs1 698284756 757453673 /nfs/dbraw/zinc/45/36/73/757453673.db2.gz PYTKCEQCFXGCKL-BDAKNGLRSA-N 1 0 194.303 2.512 20 0 AFADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccco1 698278277 757453888 /nfs/dbraw/zinc/45/38/88/757453888.db2.gz OECDVBBMSJZTJH-ZJUUUORDSA-N 1 0 177.247 2.649 20 0 AFADRO Cc1ccc(C[NH2+][C@H]2C=CCC2)s1 698283944 757454073 /nfs/dbraw/zinc/45/40/73/757454073.db2.gz LVLXEMBJZPWJHG-JTQLQIEISA-N 1 0 193.315 2.865 20 0 AFADRO Fc1cccc(C[NH2+][C@@H]2C=CCC2)c1 698300604 757454183 /nfs/dbraw/zinc/45/41/83/757454183.db2.gz QBVLEWWLXBZSAV-GFCCVEGCSA-N 1 0 191.249 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1176727116 761444161 /nfs/dbraw/zinc/44/41/61/761444161.db2.gz ANAUILPCBWSSAN-UTUOFQBUSA-N 1 0 199.338 2.532 20 0 AFADRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 1181752484 761527268 /nfs/dbraw/zinc/52/72/68/761527268.db2.gz JABSTDMFLKWEKV-MOLYVOAJSA-N 1 0 193.334 2.811 20 0 AFADRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21 1181752485 761529634 /nfs/dbraw/zinc/52/96/34/761529634.db2.gz JABSTDMFLKWEKV-QNWJLWSRSA-N 1 0 193.334 2.811 20 0 AFADRO CC1(C)C[NH+](CC2CCCCC2)C1 1183355660 761546324 /nfs/dbraw/zinc/54/63/24/761546324.db2.gz RJLPBPNURPQRGY-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C 1191204978 761599709 /nfs/dbraw/zinc/59/97/09/761599709.db2.gz XGAYVDYQURNSTO-DCAQKATOSA-N 1 0 169.312 2.905 20 0 AFADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1C1CC1 1190825758 761600324 /nfs/dbraw/zinc/60/03/24/761600324.db2.gz BCIKLBVKTBVIQT-KGYLQXTDSA-N 1 0 193.334 2.907 20 0 AFADRO CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@H]1C 1191204980 761601555 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CPDLFXXOLGXYTM-SECBINFHSA-N 1 0 187.714 2.861 20 0 AFADRO CC[C@H](C)C[N@@H+]1CCC=C(Cl)C1 1195686010 761702325 /nfs/dbraw/zinc/70/23/25/761702325.db2.gz CPDLFXXOLGXYTM-VIFPVBQESA-N 1 0 187.714 2.861 20 0 AFADRO CC1CC(C[NH+]2CCC(C)(F)CC2)C1 1196583755 761705619 /nfs/dbraw/zinc/70/56/19/761705619.db2.gz VWQPHESOBVNMNE-UHFFFAOYSA-N 1 0 199.313 2.857 20 0 AFADRO CC[C@@H]1C[C@H]1C[N@H+](C)CC1CCC1 1198414162 761711233 /nfs/dbraw/zinc/71/12/33/761711233.db2.gz FRUJHWQVJKCZTO-NEPJUHHUSA-N 1 0 181.323 2.764 20 0 AFADRO CC[C@H](C)[C@H](C)[N@H+](C)CCCF 1197929191 761711283 /nfs/dbraw/zinc/71/12/83/761711283.db2.gz DYGAGYDSMDWVNF-UWVGGRQHSA-N 1 0 175.291 2.712 20 0 AFADRO CC[C@@H](C)[C@@H](C)[N@H+](C)CCCF 1197929188 761711573 /nfs/dbraw/zinc/71/15/73/761711573.db2.gz DYGAGYDSMDWVNF-NXEZZACHSA-N 1 0 175.291 2.712 20 0 AFADRO CC[C@@H](C)[C@H](C)[N@H+](C)CCCF 1197929198 761712476 /nfs/dbraw/zinc/71/24/76/761712476.db2.gz DYGAGYDSMDWVNF-ZJUUUORDSA-N 1 0 175.291 2.712 20 0 AFADRO CC[C@H](C)[C@@H](C)[N@H+](C)CCCF 1197929197 761713950 /nfs/dbraw/zinc/71/39/50/761713950.db2.gz DYGAGYDSMDWVNF-VHSXEESVSA-N 1 0 175.291 2.712 20 0 AFADRO CC1CC(C[N@H+]2C[C@H]3CCC[C@H]3C2)C1 1198605335 761717419 /nfs/dbraw/zinc/71/74/19/761717419.db2.gz ZBJANVNIBWFDGI-BPNZPQAUSA-N 1 0 193.334 2.764 20 0 AFADRO CC[C@@H](C)C[NH+]1CC2(CCC2)C1 1201500936 761770252 /nfs/dbraw/zinc/77/02/52/761770252.db2.gz FBLNLPNIWLVTKX-SNVBAGLBSA-N 1 0 167.296 2.518 20 0 AFADRO CC[C@H](C)C[NH+]1CCC(C)(F)CC1 1201499577 761770800 /nfs/dbraw/zinc/77/08/00/761770800.db2.gz MFIBMUQVZWGEIY-JTQLQIEISA-N 1 0 187.302 2.857 20 0 AFADRO CC[C@H](C)C[NH+]1CC2(CCC2)C1 1201500935 761771517 /nfs/dbraw/zinc/77/15/17/761771517.db2.gz FBLNLPNIWLVTKX-JTQLQIEISA-N 1 0 167.296 2.518 20 0 AFADRO CC[C@@H](C)C[N@@H+]1CC2CCC1CC2 1201511803 761771541 /nfs/dbraw/zinc/77/15/41/761771541.db2.gz ZLYWKEJVUATTOT-VOMCLLRMSA-N 1 0 181.323 2.907 20 0 AFADRO CC[C@@H](C)C[NH+]1CCC(C)(F)CC1 1201499578 761771753 /nfs/dbraw/zinc/77/17/53/761771753.db2.gz MFIBMUQVZWGEIY-SNVBAGLBSA-N 1 0 187.302 2.857 20 0 AFADRO CC[C@H](C)C[N@@H+]1CC2CCC1CC2 1201511802 761772976 /nfs/dbraw/zinc/77/29/76/761772976.db2.gz ZLYWKEJVUATTOT-UNXYVOJBSA-N 1 0 181.323 2.907 20 0 AFADRO CCC(CC)C[NH+]1CC(OC(C)C)C1 1201535810 761774511 /nfs/dbraw/zinc/77/45/11/761774511.db2.gz OXURTSHAPXVZMQ-UHFFFAOYSA-N 1 0 199.338 2.532 20 0 AFADRO CCC(CC)C[NH+]1CC2(CCC2)C1 1201523490 761777057 /nfs/dbraw/zinc/77/70/57/761777057.db2.gz OGNRKAVPTXGDOE-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO CCC(CC)C[NH+]1CC(C)(C)C1 1201520609 761778278 /nfs/dbraw/zinc/77/82/78/761778278.db2.gz GHCJUCWQIGCDEI-UHFFFAOYSA-N 1 0 169.312 2.764 20 0 AFADRO CCC(CC)C[NH+]1CCC(F)CC1 1201521820 761778424 /nfs/dbraw/zinc/77/84/24/761778424.db2.gz ZNHCRDJXWFMLNX-UHFFFAOYSA-N 1 0 187.302 2.857 20 0 AFADRO CC(C)CC[NH+]1CC2(CCC2)C1 1201615729 761797108 /nfs/dbraw/zinc/79/71/08/761797108.db2.gz ZVGWIZNUKPIZCM-UHFFFAOYSA-N 1 0 167.296 2.518 20 0 AFADRO CC(C)CC[NH+]1CCC(C)(F)CC1 1201613674 761798071 /nfs/dbraw/zinc/79/80/71/761798071.db2.gz YJTFOXAIPLARTR-UHFFFAOYSA-N 1 0 187.302 2.857 20 0 AFADRO CSCCC[N@@H+]1CC2CCC1CC2 1201692332 761805434 /nfs/dbraw/zinc/80/54/34/761805434.db2.gz TWVAOSMSTRSBBM-UHFFFAOYSA-N 1 0 199.363 2.614 20 0 AFADRO C1CC[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2C1 1201951638 761813352 /nfs/dbraw/zinc/81/33/52/761813352.db2.gz RTZLZRFJRLFEOB-CHWSQXEVSA-N 1 0 193.334 2.909 20 0 AFADRO C1CC[C@H]2C[N@H+](CC3CC3)CC[C@H]2C1 1201932810 761814082 /nfs/dbraw/zinc/81/40/82/761814082.db2.gz RTZLZRFJRLFEOB-OLZOCXBDSA-N 1 0 193.334 2.909 20 0 AFADRO CC(C)(C)CC[NH+]1CC(C)(C)C1 1202055490 761816029 /nfs/dbraw/zinc/81/60/29/761816029.db2.gz HFUASNCCCIATFM-UHFFFAOYSA-N 1 0 169.312 2.764 20 0 AFADRO CC(C)OC1C[NH+](CCC(C)(C)C)C1 1202096734 761816142 /nfs/dbraw/zinc/81/61/42/761816142.db2.gz PAZJNTYAYGQXBX-UHFFFAOYSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)(C)CC[NH+]1CC2(CCC2)C1 1202064992 761816700 /nfs/dbraw/zinc/81/67/00/761816700.db2.gz FLMPXOXVJSLREG-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO Cc1ccccc1C[NH+]1CC(C)(C)C1 1203698146 761844826 /nfs/dbraw/zinc/84/48/26/761844826.db2.gz OQPAVFJMCNHQHK-UHFFFAOYSA-N 1 0 189.302 2.837 20 0 AFADRO CC[N@H+](Cc1ncccc1C)C(C)C 1205763746 761982496 /nfs/dbraw/zinc/98/24/96/761982496.db2.gz VIUGDLWLCRNHSD-UHFFFAOYSA-N 1 0 192.306 2.620 20 0 AFADRO Cc1occc1C[NH+]1CC2(CCC2)C1 1206186558 762061083 /nfs/dbraw/zinc/06/10/83/762061083.db2.gz MHBFXKCRXAOKBC-UHFFFAOYSA-N 1 0 191.274 2.574 20 0 AFADRO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 1207566964 762160143 /nfs/dbraw/zinc/16/01/43/762160143.db2.gz ZKNJZDSWJKFDKF-MOLYVOAJSA-N 1 0 193.334 2.953 20 0 AFADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 1207566962 762165545 /nfs/dbraw/zinc/16/55/45/762165545.db2.gz ZKNJZDSWJKFDKF-FHUSYTEZSA-N 1 0 193.334 2.953 20 0 AFADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)C1 1207566965 762167354 /nfs/dbraw/zinc/16/73/54/762167354.db2.gz ZKNJZDSWJKFDKF-RXGFPQBGSA-N 1 0 193.334 2.953 20 0 AFADRO C1CCC(CCC[N@H+]2C[C@H]3C[C@H]3C2)C1 1208087560 762189855 /nfs/dbraw/zinc/18/98/55/762189855.db2.gz PYBGNZLOWATLTB-BETUJISGSA-N 1 0 193.334 2.909 20 0 AFADRO C1CC1CC[N@@H+]1CC2CCC1CC2 1208684865 762250119 /nfs/dbraw/zinc/25/01/19/762250119.db2.gz LQWMRPKHMFQSBF-UHFFFAOYSA-N 1 0 179.307 2.661 20 0 AFADRO CC(C)CCC[NH+]1CC(C)(C)C1 1208734113 762264337 /nfs/dbraw/zinc/26/43/37/762264337.db2.gz OZAVTONZJXFRNQ-UHFFFAOYSA-N 1 0 169.312 2.764 20 0 AFADRO CC(C)CCC[NH+]1CC2(CCC2)C1 1208734680 762267822 /nfs/dbraw/zinc/26/78/22/762267822.db2.gz MFCNAUAJJAQSPN-UHFFFAOYSA-N 1 0 181.323 2.909 20 0 AFADRO CCC[N@H+](C)Cc1ccccc1NC 1232667499 764550212 /nfs/dbraw/zinc/55/02/12/764550212.db2.gz YWXVCVXHRGDLQR-UHFFFAOYSA-N 1 0 192.306 2.570 20 0 AFADRO CNc1ccccc1C[N@H+](C)C(C)C 1232665853 764550563 /nfs/dbraw/zinc/55/05/63/764550563.db2.gz CZXFJRGLBYKINF-UHFFFAOYSA-N 1 0 192.306 2.569 20 0 AFADRO C1=C(c2cccc3c2CCC3)CC[NH2+]C1 1240468786 764856981 /nfs/dbraw/zinc/85/69/81/764856981.db2.gz ZEJFWHSSXHWCJG-UHFFFAOYSA-N 1 0 199.297 2.552 20 0 AFADRO C1=C(c2cccc3cc[nH]c23)CC[NH2+]C1 1240467937 764857076 /nfs/dbraw/zinc/85/70/76/764857076.db2.gz JBRXQXHAPSEQEP-UHFFFAOYSA-N 1 0 198.269 2.545 20 0 AFADRO CCCC[N@H+](CC)C(C)(C)C 18682609 1169057534 /nfs/dbraw/zinc/05/75/34/1169057534.db2.gz WGILGFCVFJKRQM-UHFFFAOYSA-N 1 0 157.301 2.907 20 0 AFADRO CCC(C)(C)[NH2+]CCC(C)C 17619320 1169058133 /nfs/dbraw/zinc/05/81/33/1169058133.db2.gz GNEOGMLYUVVDIU-UHFFFAOYSA-N 1 0 157.301 2.811 20 0 AFADRO CC(C)c1nc(C[NH2+]C2CC2)cs1 26511147 1169061774 /nfs/dbraw/zinc/06/17/74/1169061774.db2.gz ZXYRQFGHJSELJX-UHFFFAOYSA-N 1 0 196.319 2.519 20 0 AFADRO CC[NH2+][C@H](C)Cc1cccc(C)c1 28570337 1169065797 /nfs/dbraw/zinc/06/57/97/1169065797.db2.gz SPNIUUNAANLMJE-LLVKDONJSA-N 1 0 177.291 2.536 20 0 AFADRO CC[NH2+][C@H](C)Cc1ccccc1Cl 36936947 1169073629 /nfs/dbraw/zinc/07/36/29/1169073629.db2.gz SGMCMNFOFJGZEK-SECBINFHSA-N 1 0 197.709 2.881 20 0 AFADRO CC[NH2+][C@@H](C)Cc1ccccc1Cl 36936945 1169075264 /nfs/dbraw/zinc/07/52/64/1169075264.db2.gz SGMCMNFOFJGZEK-VIFPVBQESA-N 1 0 197.709 2.881 20 0 AFADRO CC[NH2+][C@@H](C)CCc1cccc(F)c1 37948111 1169077064 /nfs/dbraw/zinc/07/70/64/1169077064.db2.gz YLYYFAVZAQWCRQ-JTQLQIEISA-N 1 0 195.281 2.756 20 0 AFADRO CC[NH2+][C@@H](C)CCc1ccc(F)cc1 37948115 1169077102 /nfs/dbraw/zinc/07/71/02/1169077102.db2.gz PWKCGCXDWIYDQM-JTQLQIEISA-N 1 0 195.281 2.756 20 0 AFADRO CC[NH2+][C@H](C)CCc1cccc(C)c1 37948118 1169077308 /nfs/dbraw/zinc/07/73/08/1169077308.db2.gz WFXAVFYKTLRSQD-GFCCVEGCSA-N 1 0 191.318 2.926 20 0 AFADRO CC[NH2+][C@@H](CC)Cc1cccs1 38132781 1169078622 /nfs/dbraw/zinc/07/86/22/1169078622.db2.gz OZLWRHIFMBZAIQ-VIFPVBQESA-N 1 0 183.320 2.679 20 0 AFADRO CC[NH2+][C@H](C)CCc1ccc(F)cc1 37948116 1169080501 /nfs/dbraw/zinc/08/05/01/1169080501.db2.gz PWKCGCXDWIYDQM-SNVBAGLBSA-N 1 0 195.281 2.756 20 0 AFADRO CCC[C@@H](C)[NH2+]Cc1nc(C)cs1 38090593 1169080651 /nfs/dbraw/zinc/08/06/51/1169080651.db2.gz UGJNVOUBVYWCHN-MRVPVSSYSA-N 1 0 198.335 2.730 20 0 AFADRO CC[NH2+][C@@H](C)CCc1cccc(C)c1 37948117 1169080818 /nfs/dbraw/zinc/08/08/18/1169080818.db2.gz WFXAVFYKTLRSQD-LBPRGKRZSA-N 1 0 191.318 2.926 20 0 AFADRO CC[NH2+][C@H](CC)Cc1cccs1 38132782 1169080975 /nfs/dbraw/zinc/08/09/75/1169080975.db2.gz OZLWRHIFMBZAIQ-SECBINFHSA-N 1 0 183.320 2.679 20 0 AFADRO CC[NH2+][C@H](C)CCc1cccc(F)c1 37948112 1169081211 /nfs/dbraw/zinc/08/12/11/1169081211.db2.gz YLYYFAVZAQWCRQ-SNVBAGLBSA-N 1 0 195.281 2.756 20 0 AFADRO C1=C(c2cccc3ccoc23)CC[NH2+]C1 39350708 1169085772 /nfs/dbraw/zinc/08/57/72/1169085772.db2.gz CQPORGFRCKHCFQ-UHFFFAOYSA-N 1 0 199.253 2.810 20 0 AFADRO CC(C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 39437199 1169086297 /nfs/dbraw/zinc/08/62/97/1169086297.db2.gz ODJDNOFJTLHXAF-NWDGAFQWSA-N 1 0 181.323 2.907 20 0 AFADRO CC(C)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 39437201 1169086954 /nfs/dbraw/zinc/08/69/54/1169086954.db2.gz ODJDNOFJTLHXAF-VXGBXAGGSA-N 1 0 181.323 2.907 20 0 AFADRO C1=C[C@@H]([NH2+]Cc2ccccc2)CCC1 90751117 1169125230 /nfs/dbraw/zinc/12/52/30/1169125230.db2.gz JOJRSPBFDPRDTA-CYBMUJFWSA-N 1 0 187.286 2.885 20 0 AFADRO CC[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C 88186262 1169125423 /nfs/dbraw/zinc/12/54/23/1169125423.db2.gz YUVGRIMOUPAPIU-VWYCJHECSA-N 1 0 181.323 2.811 20 0 AFADRO CC1([NH2+][C@H]2CC[C@H]2C2CC2)CCC1 306327015 673916092 /nfs/dbraw/zinc/91/60/92/673916092.db2.gz MPBZIBXGIXIIPC-QWRGUYRKSA-N 1 0 179.307 2.707 20 0 AFADRO Cc1occc1C[NH2+]C[C@H]1C=CCC1 711746071 673915614 /nfs/dbraw/zinc/91/56/14/673915614.db2.gz XUAPGAOMUGVEAI-NSHDSACASA-N 1 0 191.274 2.644 20 0 AFADRO CC1([NH2+][C@H]2CC[C@@H]2C2CC2)CCC1 306327014 673915833 /nfs/dbraw/zinc/91/58/33/673915833.db2.gz MPBZIBXGIXIIPC-MNOVXSKESA-N 1 0 179.307 2.707 20 0 AFADRO FCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 306328047 673915946 /nfs/dbraw/zinc/91/59/46/673915946.db2.gz ZEURLXVPQAMYGV-QJPTWQEYSA-N 1 0 199.313 2.904 20 0 AFADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 306325250 673916080 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199.338 2.724 20 0 AFADRO CCCC[NH2+]CCCSCC 163822721 673965602 /nfs/dbraw/zinc/96/56/02/673965602.db2.gz OHZONVZVQOBDHI-UHFFFAOYSA-N 1 0 175.341 2.519 20 0 AFADRO CC(C)CC[NH2+]C[C@@H](C)C1CC1 136210236 1169194181 /nfs/dbraw/zinc/19/41/81/1169194181.db2.gz NLFRXZPBGWVDPD-SNVBAGLBSA-N 1 0 169.312 2.668 20 0 AFADRO CCCC[NH2+]CCCCOC(C)C 224992397 673966999 /nfs/dbraw/zinc/96/69/99/673966999.db2.gz LTJYRHYMZIMZHF-UHFFFAOYSA-N 1 0 187.327 2.581 20 0 AFADRO C[C@H]1C[C@@H]1C[NH2+]CCc1cccs1 166900429 673967505 /nfs/dbraw/zinc/96/75/05/673967505.db2.gz XIMPBCNAABNZCQ-VHSXEESVSA-N 1 0 195.331 2.536 20 0 AFADRO C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C 227879170 673970242 /nfs/dbraw/zinc/97/02/42/673970242.db2.gz VVRDXTWLDHKOES-HQZHTGGTSA-N 1 0 175.703 2.763 20 0 AFADRO C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C 227879174 673970260 /nfs/dbraw/zinc/97/02/60/673970260.db2.gz VVRDXTWLDHKOES-GJIOHYHPSA-N 1 0 175.703 2.763 20 0 AFADRO CCCC[NH2+][C@H](C)CCSC 228878717 673971019 /nfs/dbraw/zinc/97/10/19/673971019.db2.gz 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C1=C[C@H]([NH2+][C@H](C2CCC2)C2CC2)CC1 705302557 673975165 /nfs/dbraw/zinc/97/51/65/673975165.db2.gz JDZJXFGPXCRARJ-QWHCGFSZSA-N 1 0 191.318 2.873 20 0 AFADRO CC1(C)CCC[C@@H]([NH2+]CCCF)C1 158863676 673977647 /nfs/dbraw/zinc/97/76/47/673977647.db2.gz XANXTLIHYZBCJG-SNVBAGLBSA-N 1 0 187.302 2.904 20 0 AFADRO CC1(C)CCC[C@H]([NH2+]CCCF)C1 158863539 673977665 /nfs/dbraw/zinc/97/76/65/673977665.db2.gz XANXTLIHYZBCJG-JTQLQIEISA-N 1 0 187.302 2.904 20 0 AFADRO CC(C)=CC[NH2+][C@H](C)C1(Cl)CC1 702260171 673978987 /nfs/dbraw/zinc/97/89/87/673978987.db2.gz SXXZXRGRTLWTBQ-SECBINFHSA-N 1 0 187.714 2.702 20 0 AFADRO C[C@H]([NH2+]CC1CCC1)C1(Cl)CC1 702261077 673979239 /nfs/dbraw/zinc/97/92/39/673979239.db2.gz XHQZJFOZSZVBAL-QMMMGPOBSA-N 1 0 187.714 2.536 20 0 AFADRO C[C@@H]([NH2+]CC1CCC1)C1(Cl)CC1 702261075 673979400 /nfs/dbraw/zinc/97/94/00/673979400.db2.gz XHQZJFOZSZVBAL-MRVPVSSYSA-N 1 0 187.714 2.536 20 0 AFADRO C[C@@H]([NH2+][C@H]1CC=CCC1)C1(Cl)CC1 702413552 673979897 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187.714 2.702 20 0 AFADRO C[C@H]([NH2+][C@H]1CC=CCC1)C1(Cl)CC1 702413520 673980358 /nfs/dbraw/zinc/98/03/58/673980358.db2.gz LYAWYCNAEGWNDM-UWVGGRQHSA-N 1 0 199.725 2.845 20 0 AFADRO C[C@H]([NH2+][C@@H]1CC=CCC1)C1(Cl)CC1 702413537 673980460 /nfs/dbraw/zinc/98/04/60/673980460.db2.gz LYAWYCNAEGWNDM-VHSXEESVSA-N 1 0 199.725 2.845 20 0 AFADRO CC/C=C\C[NH2+][C@@H](C)C1(Cl)CC1 702363914 673980484 /nfs/dbraw/zinc/98/04/84/673980484.db2.gz ZEAGDAIMPWTUID-WBSSQXGSSA-N 1 0 187.714 2.702 20 0 AFADRO CC(C)(C)[C@H]([NH3+])c1cc(C2CC2)no1 705255123 673986000 /nfs/dbraw/zinc/98/60/00/673986000.db2.gz MPTAKKPKQPXAOW-SNVBAGLBSA-N 1 0 194.278 2.598 20 0 AFADRO CC(C)(C)[C@@H]([NH3+])c1cc(C2CC2)no1 705255120 673986155 /nfs/dbraw/zinc/98/61/55/673986155.db2.gz MPTAKKPKQPXAOW-JTQLQIEISA-N 1 0 194.278 2.598 20 0 AFADRO CC(C)[C@H]([NH2+][C@@H]1C=CCC1)C1CC1 705303061 673986704 /nfs/dbraw/zinc/98/67/04/673986704.db2.gz GVFJQZQXLSMXBG-NEPJUHHUSA-N 1 0 179.307 2.729 20 0 AFADRO CCCC[NH2+]C[C@H](CCC)OCC 705318252 673986718 /nfs/dbraw/zinc/98/67/18/673986718.db2.gz RYBPGPBURIDCRT-NSHDSACASA-N 1 0 187.327 2.581 20 0 AFADRO C1=C[C@@H]([NH2+][C@@H](C2CCC2)C2CC2)CC1 705302555 673986721 /nfs/dbraw/zinc/98/67/21/673986721.db2.gz JDZJXFGPXCRARJ-OLZOCXBDSA-N 1 0 191.318 2.873 20 0 AFADRO C1=C[C@H]([NH2+][C@@H](C2CCC2)C2CC2)CC1 705302559 673986744 /nfs/dbraw/zinc/98/67/44/673986744.db2.gz JDZJXFGPXCRARJ-STQMWFEESA-N 1 0 191.318 2.873 20 0 AFADRO C1=C[C@@H]([NH2+][C@H](C2CCC2)C2CC2)CC1 705302553 673986753 /nfs/dbraw/zinc/98/67/53/673986753.db2.gz JDZJXFGPXCRARJ-CHWSQXEVSA-N 1 0 191.318 2.873 20 0 AFADRO CC(C)[C@@H]([NH2+][C@@H]1C=CCC1)C1CC1 705303074 673986839 /nfs/dbraw/zinc/98/68/39/673986839.db2.gz GVFJQZQXLSMXBG-VXGBXAGGSA-N 1 0 179.307 2.729 20 0 AFADRO CC(C)[C@H]([NH2+][C@H]1C=CCC1)C1CC1 705303069 673986892 /nfs/dbraw/zinc/98/68/92/673986892.db2.gz GVFJQZQXLSMXBG-RYUDHWBXSA-N 1 0 179.307 2.729 20 0 AFADRO CCCC[NH2+]C[C@@H](CCC)OCC 705318250 673986901 /nfs/dbraw/zinc/98/69/01/673986901.db2.gz 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/nfs/dbraw/zinc/98/83/91/673988391.db2.gz AGYKUDKRQWFHSF-UHFFFAOYSA-N 1 0 197.347 2.580 20 0 AFADRO CCC[C@H](C)[NH2+]C1CC(SC)C1 706858484 673988395 /nfs/dbraw/zinc/98/83/95/673988395.db2.gz KACMQORAPJMHJP-IDKOKCKLSA-N 1 0 187.352 2.659 20 0 AFADRO CCCC1CC[NH+](CCC)CC1 141682706 1169208511 /nfs/dbraw/zinc/20/85/11/1169208511.db2.gz DMQYWXOUFMCHHH-UHFFFAOYSA-N 1 0 169.312 2.909 20 0 AFADRO CC[C@@H]([NH2+]C1CC(SC)C1)C1CC1 706865262 673988548 /nfs/dbraw/zinc/98/85/48/673988548.db2.gz IRRGHTIDRRENLD-VQXHTEKXSA-N 1 0 199.363 2.659 20 0 AFADRO CCCCC[NH2+]C1CC(SC)C1 706776424 673988627 /nfs/dbraw/zinc/98/86/27/673988627.db2.gz SOBPPBUIVFLSLO-UHFFFAOYSA-N 1 0 187.352 2.660 20 0 AFADRO CC[C@H]([NH2+]C1CC(SC)C1)C1CC1 706865261 673988712 /nfs/dbraw/zinc/98/87/12/673988712.db2.gz IRRGHTIDRRENLD-ILDUYXDCSA-N 1 0 199.363 2.659 20 0 AFADRO CSC1CC([NH2+]CC2CCCC2)C1 706927500 673988904 /nfs/dbraw/zinc/98/89/04/673988904.db2.gz HLNYTKNMHAOEBL-UHFFFAOYSA-N 1 0 199.363 2.660 20 0 AFADRO CSC1CC([NH2+]CCCC2CC2)C1 706947722 673988954 /nfs/dbraw/zinc/98/89/54/673988954.db2.gz XQEVSUCZLWFBAB-UHFFFAOYSA-N 1 0 199.363 2.660 20 0 AFADRO CSC1CC([NH2+][C@H]2CCC[C@H]2C)C1 706927735 673988980 /nfs/dbraw/zinc/98/89/80/673988980.db2.gz IZFCLILBCWYHCD-SFXRXQKFSA-N 1 0 199.363 2.659 20 0 AFADRO CSC1CC([NH2+][C@@H]2CCC[C@@H]2C)C1 706927731 673989008 /nfs/dbraw/zinc/98/90/08/673989008.db2.gz IZFCLILBCWYHCD-IDWGSYCQSA-N 1 0 199.363 2.659 20 0 AFADRO CSC1CC([NH2+][C@@H]2CC[C@H](C)C2)C1 706921632 673989021 /nfs/dbraw/zinc/98/90/21/673989021.db2.gz JTQPCCWLJMEDOF-IZUQBHJASA-N 1 0 199.363 2.659 20 0 AFADRO CSC1CC([NH2+][C@H]2CC[C@H](C)C2)C1 706921640 673989057 /nfs/dbraw/zinc/98/90/57/673989057.db2.gz JTQPCCWLJMEDOF-SAAXCQNUSA-N 1 0 199.363 2.659 20 0 AFADRO CSC1CC([NH2+][C@@H](C)C2CCC2)C1 706922363 673989060 /nfs/dbraw/zinc/98/90/60/673989060.db2.gz NZLPUCWIJIEKHE-PUSIOWJLSA-N 1 0 199.363 2.659 20 0 AFADRO CC[C@@H]1C[C@H]1C[NH2+]C1CC(SC)C1 706889558 673989087 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486758285 /nfs/dbraw/zinc/75/82/85/486758285.db2.gz ZQEPDMZYCDQAFT-OLZOCXBDSA-N 1 0 189.302 2.788 20 0 AFADRO CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 54592841 486758329 /nfs/dbraw/zinc/75/83/29/486758329.db2.gz RWPAGEQUTXWULK-QWHCGFSZSA-N 1 0 189.302 2.790 20 0 AFADRO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 54594692 486758500 /nfs/dbraw/zinc/75/85/00/486758500.db2.gz ZQEPDMZYCDQAFT-QWHCGFSZSA-N 1 0 189.302 2.788 20 0 AFADRO c1ccc([C@H]2C[C@H]2C[NH2+]C2CC2)cc1 54595961 486758493 /nfs/dbraw/zinc/75/84/93/486758493.db2.gz FBBUHOSXVCYXQB-WCQYABFASA-N 1 0 187.286 2.542 20 0 AFADRO CC[NH2+]CC1(CCOC)CCCCC1 54654845 486758650 /nfs/dbraw/zinc/75/86/50/486758650.db2.gz JDZIALFRUFDMHP-UHFFFAOYSA-N 1 0 199.338 2.583 20 0 AFADRO COCCC1(C[NH2+]C(C)C)CCCC1 54655695 486759049 /nfs/dbraw/zinc/75/90/49/486759049.db2.gz NNQWKJQLSPRRIU-UHFFFAOYSA-N 1 0 199.338 2.581 20 0 AFADRO CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 54592842 486759142 /nfs/dbraw/zinc/75/91/42/486759142.db2.gz RWPAGEQUTXWULK-CHWSQXEVSA-N 1 0 189.302 2.790 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CC[C@H](C)[N@H+](C)Cc1cncc(C)c1 682368477 487054379 /nfs/dbraw/zinc/05/43/79/487054379.db2.gz SQPCOKXHZOBJBY-NSHDSACASA-N 1 0 192.306 2.620 20 0 AFADRO CC[C@H](C)C[N@@H+]1CCO[C@](C)(CC)C1 682369533 487054545 /nfs/dbraw/zinc/05/45/45/487054545.db2.gz VVSYJUIBGCJCQU-NWDGAFQWSA-N 1 0 199.338 2.533 20 0 AFADRO CC[C@@]1(C)C[N@H+](CCC(C)C)CCO1 682369494 487054555 /nfs/dbraw/zinc/05/45/55/487054555.db2.gz SZPJSLZEIFXGPX-LBPRGKRZSA-N 1 0 199.338 2.533 20 0 AFADRO CCCC[NH+]1CC(C)(C)OC(C)(C)C1 682372778 487055100 /nfs/dbraw/zinc/05/51/00/487055100.db2.gz RZSRLTCJICLTGR-UHFFFAOYSA-N 1 0 199.338 2.676 20 0 AFADRO CC(C)C[NH+]1CC(C)(C)OC(C)(C)C1 682372608 487055387 /nfs/dbraw/zinc/05/53/87/487055387.db2.gz LWGQLTALNDKARL-UHFFFAOYSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[NH2+]Cc1ccsc1C 227789998 487056372 /nfs/dbraw/zinc/05/63/72/487056372.db2.gz VYNLETCYEPHHHV-UHFFFAOYSA-N 1 0 169.293 2.556 20 0 AFADRO Cc1sccc1C[NH2+]CC(C)C 227790069 487056513 /nfs/dbraw/zinc/05/65/13/487056513.db2.gz 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CCC[NH+](C1CCC1)C1CCC1 230578459 487074185 /nfs/dbraw/zinc/07/41/85/487074185.db2.gz WPLVULMXHLYCPR-UHFFFAOYSA-N 1 0 167.296 2.803 20 0 AFADRO CCC[C@@H](C)[N@@H+]1CCC[C@@H](OC)CC1 682439884 487059633 /nfs/dbraw/zinc/05/96/33/487059633.db2.gz PDTOSIJFHGKESQ-VXGBXAGGSA-N 1 0 199.338 2.676 20 0 AFADRO CC[C@H](C)[N@@H+]1CCCC[C@H](COC)C1 682439856 487059650 /nfs/dbraw/zinc/05/96/50/487059650.db2.gz NMDKMHWMKMOLDG-RYUDHWBXSA-N 1 0 199.338 2.533 20 0 AFADRO CC[C@H](C)[N@@H+]1CCCC[C@@H](COC)C1 682439855 487059839 /nfs/dbraw/zinc/05/98/39/487059839.db2.gz NMDKMHWMKMOLDG-NWDGAFQWSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](OC)CC1 682439881 487059993 /nfs/dbraw/zinc/05/99/93/487059993.db2.gz PDTOSIJFHGKESQ-NEPJUHHUSA-N 1 0 199.338 2.676 20 0 AFADRO CCC[C@H](C)[N@@H+]1CCC[C@H](OC)CC1 682439883 487060003 /nfs/dbraw/zinc/06/00/03/487060003.db2.gz PDTOSIJFHGKESQ-RYUDHWBXSA-N 1 0 199.338 2.676 20 0 AFADRO CC[C@@H](C)[N@@H+]1CCCC[C@@H](COC)C1 682439857 487060349 /nfs/dbraw/zinc/06/03/49/487060349.db2.gz NMDKMHWMKMOLDG-VXGBXAGGSA-N 1 0 199.338 2.533 20 0 AFADRO CO[C@@H](C)C[NH2+][C@H]1CCCCC[C@@H]1C 228575189 487060611 /nfs/dbraw/zinc/06/06/11/487060611.db2.gz YDCXNDPGNREXJN-SRVKXCTJSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1C 228575182 487060930 /nfs/dbraw/zinc/06/09/30/487060930.db2.gz YDCXNDPGNREXJN-SDDRHHMPSA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)[C@H](C)[N@H+](C)CC[C@@H]1CCCO1 682516961 487061613 /nfs/dbraw/zinc/06/16/13/487061613.db2.gz NIYNXFVTIMZQLS-RYUDHWBXSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)[C@@H](C)[N@H+](C)CC[C@@H]1CCCO1 682516958 487061617 /nfs/dbraw/zinc/06/16/17/487061617.db2.gz NIYNXFVTIMZQLS-NEPJUHHUSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)[C@@H](C)[N@H+](C)CC[C@H]1CCCO1 682516963 487061736 /nfs/dbraw/zinc/06/17/36/487061736.db2.gz NIYNXFVTIMZQLS-VXGBXAGGSA-N 1 0 199.338 2.532 20 0 AFADRO CCCC[N@H+](CC)CC[C@H]1CCCO1 682517076 487061750 /nfs/dbraw/zinc/06/17/50/487061750.db2.gz PYGRMCYBXNRDLL-GFCCVEGCSA-N 1 0 199.338 2.678 20 0 AFADRO CCc1cccc(C[N@H+](C)C2CC2)c1 682518198 487061858 /nfs/dbraw/zinc/06/18/58/487061858.db2.gz TZDZRBUDQBMAAV-UHFFFAOYSA-N 1 0 189.302 2.843 20 0 AFADRO CCCC[N@H+](CC)CC[C@@H]1CCCO1 682517077 487062086 /nfs/dbraw/zinc/06/20/86/487062086.db2.gz PYGRMCYBXNRDLL-LBPRGKRZSA-N 1 0 199.338 2.678 20 0 AFADRO CC(C)[C@H](C)[N@H+](C)CC[C@H]1CCCO1 682516959 487062315 /nfs/dbraw/zinc/06/23/15/487062315.db2.gz NIYNXFVTIMZQLS-NWDGAFQWSA-N 1 0 199.338 2.532 20 0 AFADRO CCC(C)(C)[N@H+](C)CC[C@H]1CCCO1 682529164 487062949 /nfs/dbraw/zinc/06/29/49/487062949.db2.gz KBDBPWLCBWFLSY-LLVKDONJSA-N 1 0 199.338 2.676 20 0 AFADRO CCC(C)(C)[N@H+](C)CC[C@@H]1CCCO1 682529165 487063049 /nfs/dbraw/zinc/06/30/49/487063049.db2.gz KBDBPWLCBWFLSY-NSHDSACASA-N 1 0 199.338 2.676 20 0 AFADRO C[C@@H]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)C)O1 228953728 487063156 /nfs/dbraw/zinc/06/31/56/487063156.db2.gz MQNZKSMSLHHQQV-MXWKQRLJSA-N 1 0 199.338 2.578 20 0 AFADRO C[C@@H]1CC[C@H](C[NH2+][C@H](C)C(C)(C)C)O1 228953742 487063293 /nfs/dbraw/zinc/06/32/93/487063293.db2.gz MQNZKSMSLHHQQV-GMTAPVOTSA-N 1 0 199.338 2.578 20 0 AFADRO CC[N@@H+](Cc1ccoc1)C[C@@H]1C[C@H]1C 682672777 487064926 /nfs/dbraw/zinc/06/49/26/487064926.db2.gz HVQBFYRQRYSKPG-PWSUYJOCSA-N 1 0 193.290 2.758 20 0 AFADRO CC[N@@H+](Cc1ccoc1)C[C@H]1C[C@@H]1C 682672775 487065184 /nfs/dbraw/zinc/06/51/84/487065184.db2.gz HVQBFYRQRYSKPG-CMPLNLGQSA-N 1 0 193.290 2.758 20 0 AFADRO CC[N@@H+](Cc1ccoc1)C[C@@H]1C[C@@H]1C 682672776 487065067 /nfs/dbraw/zinc/06/50/67/487065067.db2.gz HVQBFYRQRYSKPG-JQWIXIFHSA-N 1 0 193.290 2.758 20 0 AFADRO C1CC(C[NH2+]CC2CCSCC2)C1 229220702 487065310 /nfs/dbraw/zinc/06/53/10/487065310.db2.gz LBWQDHSESKSIPF-UHFFFAOYSA-N 1 0 199.363 2.519 20 0 AFADRO CC[N@@H+](Cc1ccoc1)C[C@H]1C[C@H]1C 682672778 487065405 /nfs/dbraw/zinc/06/54/05/487065405.db2.gz HVQBFYRQRYSKPG-ZYHUDNBSSA-N 1 0 193.290 2.758 20 0 AFADRO CCCC[NH2+]CC1CCSCC1 229220913 487065635 /nfs/dbraw/zinc/06/56/35/487065635.db2.gz RCKQHJRSJWDFNC-UHFFFAOYSA-N 1 0 187.352 2.519 20 0 AFADRO CC[C@@H](C)C[NH2+]Cc1occc1C 229477737 487066273 /nfs/dbraw/zinc/06/62/73/487066273.db2.gz MVXXNUKYIHLMFC-SECBINFHSA-N 1 0 181.279 2.724 20 0 AFADRO CC[C@H](C)C[NH2+]Cc1occc1C 229477745 487066680 /nfs/dbraw/zinc/06/66/80/487066680.db2.gz MVXXNUKYIHLMFC-VIFPVBQESA-N 1 0 181.279 2.724 20 0 AFADRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)C1CCCC1 229383451 487066854 /nfs/dbraw/zinc/06/68/54/487066854.db2.gz XLUPLIIAALGQMJ-MXWKQRLJSA-N 1 0 199.338 2.578 20 0 AFADRO CCC[NH+](CCC)C[C@H]1CC[C@H](C)O1 682754888 487067068 /nfs/dbraw/zinc/06/70/68/487067068.db2.gz LHGQYKOLMPGVKM-NWDGAFQWSA-N 1 0 199.338 2.676 20 0 AFADRO CC[N@H+](CC(C)C)C[C@@H]1CC[C@H](C)O1 682755020 487067101 /nfs/dbraw/zinc/06/71/01/487067101.db2.gz AXSYIEWJOZRVRI-RYUDHWBXSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[NH+](CCC)C[C@@H]1CC[C@@H](C)O1 682754887 487067196 /nfs/dbraw/zinc/06/71/96/487067196.db2.gz LHGQYKOLMPGVKM-NEPJUHHUSA-N 1 0 199.338 2.676 20 0 AFADRO CCC[NH+](CCC)C[C@@H]1CC[C@H](C)O1 682754891 487067307 /nfs/dbraw/zinc/06/73/07/487067307.db2.gz LHGQYKOLMPGVKM-RYUDHWBXSA-N 1 0 199.338 2.676 20 0 AFADRO CC[N@H+](CC(C)C)C[C@H]1CC[C@H](C)O1 682755019 487067496 /nfs/dbraw/zinc/06/74/96/487067496.db2.gz AXSYIEWJOZRVRI-NWDGAFQWSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[NH+](CCC)C[C@H]1CC[C@@H](C)O1 682754892 487067536 /nfs/dbraw/zinc/06/75/36/487067536.db2.gz LHGQYKOLMPGVKM-VXGBXAGGSA-N 1 0 199.338 2.676 20 0 AFADRO CC[N@H+](CC(C)C)C[C@H]1CC[C@@H](C)O1 682755022 487067589 /nfs/dbraw/zinc/06/75/89/487067589.db2.gz AXSYIEWJOZRVRI-VXGBXAGGSA-N 1 0 199.338 2.532 20 0 AFADRO CC[N@H+](CC(C)C)C[C@@H]1CC[C@@H](C)O1 682755016 487067579 /nfs/dbraw/zinc/06/75/79/487067579.db2.gz AXSYIEWJOZRVRI-NEPJUHHUSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)C(C[NH2+]CC(F)F)C(C)C 229552602 487067916 /nfs/dbraw/zinc/06/79/16/487067916.db2.gz PWUVCTKQGXMOQY-UHFFFAOYSA-N 1 0 193.281 2.769 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 682765851 487068103 /nfs/dbraw/zinc/06/81/03/487068103.db2.gz HRTLBAKFYKYBHL-MNOVXSKESA-N 1 0 199.338 2.674 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@@H]1CC[C@H](C)O1 682765853 487068524 /nfs/dbraw/zinc/06/85/24/487068524.db2.gz HRTLBAKFYKYBHL-QWRGUYRKSA-N 1 0 199.338 2.674 20 0 AFADRO CC(C)[NH+](C[C@@H]1CC[C@H](C)O1)C(C)C 682768601 487068543 /nfs/dbraw/zinc/06/85/43/487068543.db2.gz PFEKPUOGDDVXLM-RYUDHWBXSA-N 1 0 199.338 2.673 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 682765850 487068648 /nfs/dbraw/zinc/06/86/48/487068648.db2.gz HRTLBAKFYKYBHL-GHMZBOCLSA-N 1 0 199.338 2.674 20 0 AFADRO CC(C)[NH+](C[C@H]1CC[C@H](C)O1)C(C)C 682768600 487068941 /nfs/dbraw/zinc/06/89/41/487068941.db2.gz PFEKPUOGDDVXLM-NWDGAFQWSA-N 1 0 199.338 2.673 20 0 AFADRO CC(C)[NH+](C[C@@H]1CC[C@@H](C)O1)C(C)C 682768599 487068944 /nfs/dbraw/zinc/06/89/44/487068944.db2.gz PFEKPUOGDDVXLM-NEPJUHHUSA-N 1 0 199.338 2.673 20 0 AFADRO CC(C)[NH+](C[C@H]1CC[C@@H](C)O1)C(C)C 682768602 487068995 /nfs/dbraw/zinc/06/89/95/487068995.db2.gz PFEKPUOGDDVXLM-VXGBXAGGSA-N 1 0 199.338 2.673 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@H]1CC[C@H](C)O1 682765854 487069042 /nfs/dbraw/zinc/06/90/42/487069042.db2.gz HRTLBAKFYKYBHL-WDEREUQCSA-N 1 0 199.338 2.674 20 0 AFADRO CC[C@H](C)[N@H+](C)Cc1ccn(CC)c1 682777961 487069330 /nfs/dbraw/zinc/06/93/30/487069330.db2.gz OAPFTVWFWPWTSA-NSHDSACASA-N 1 0 194.322 2.738 20 0 AFADRO CCn1ccc(C[N@H+](C)CC(C)C)c1 682777993 487069493 /nfs/dbraw/zinc/06/94/93/487069493.db2.gz PKCSILXNUPWWEA-UHFFFAOYSA-N 1 0 194.322 2.596 20 0 AFADRO CC[C@@H](C)[N@H+](C)Cc1ccn(CC)c1 682777960 487069722 /nfs/dbraw/zinc/06/97/22/487069722.db2.gz OAPFTVWFWPWTSA-LLVKDONJSA-N 1 0 194.322 2.738 20 0 AFADRO CCCC[N@H+](C)Cc1ccn(CC)c1 682777715 487070140 /nfs/dbraw/zinc/07/01/40/487070140.db2.gz GVODDYAJSGVHET-UHFFFAOYSA-N 1 0 194.322 2.740 20 0 AFADRO Cc1cc(N(C)[C@@H](C)C(C)C)cc[nH+]1 682841355 487071715 /nfs/dbraw/zinc/07/17/15/487071715.db2.gz JHAHTEADOMOKKZ-NSHDSACASA-N 1 0 192.306 2.871 20 0 AFADRO Cc1cc(N(C)[C@H](C)C(C)C)cc[nH+]1 682841353 487072219 /nfs/dbraw/zinc/07/22/19/487072219.db2.gz JHAHTEADOMOKKZ-LLVKDONJSA-N 1 0 192.306 2.871 20 0 AFADRO CCC[C@@H]([NH2+]C1CC1)C1CCC1 230620079 487074432 /nfs/dbraw/zinc/07/44/32/487074432.db2.gz SBAURTRJLHQBJR-LLVKDONJSA-N 1 0 167.296 2.707 20 0 AFADRO CCC[C@H]([NH2+]C1CC1)C1CCC1 230620073 487074495 /nfs/dbraw/zinc/07/44/95/487074495.db2.gz SBAURTRJLHQBJR-NSHDSACASA-N 1 0 167.296 2.707 20 0 AFADRO CCC[N@H+](CC)CC1(OC)CCCC1 682994207 487076475 /nfs/dbraw/zinc/07/64/75/487076475.db2.gz FUOVPGGTKJETDR-UHFFFAOYSA-N 1 0 199.338 2.678 20 0 AFADRO COC1(C[N@H+](C)CC(C)C)CCCC1 682994254 487076495 /nfs/dbraw/zinc/07/64/95/487076495.db2.gz NKDDRFBUTPADNN-UHFFFAOYSA-N 1 0 199.338 2.533 20 0 AFADRO COC1(C[N@H+](C)C(C)C)CCCCC1 682995399 487076563 /nfs/dbraw/zinc/07/65/63/487076563.db2.gz UNLHWYMUPOXOQB-UHFFFAOYSA-N 1 0 199.338 2.676 20 0 AFADRO CC[C@H](C)[N@H+](C)CC1(OC)CCCC1 682994295 487076604 /nfs/dbraw/zinc/07/66/04/487076604.db2.gz OUXSWESEASEXSP-NSHDSACASA-N 1 0 199.338 2.676 20 0 AFADRO CCCC[N@H+](C)CC1(OC)CCCC1 682995417 487076693 /nfs/dbraw/zinc/07/66/93/487076693.db2.gz VJIJOZVNCVRHIX-UHFFFAOYSA-N 1 0 199.338 2.678 20 0 AFADRO CC[NH+](CC)CC1(OC)CCCCC1 682995444 487076748 /nfs/dbraw/zinc/07/67/48/487076748.db2.gz WGUNBZAILUTPDI-UHFFFAOYSA-N 1 0 199.338 2.678 20 0 AFADRO CC[C@@H](C)[N@H+](C)CC1(OC)CCCC1 682994293 487076766 /nfs/dbraw/zinc/07/67/66/487076766.db2.gz OUXSWESEASEXSP-LLVKDONJSA-N 1 0 199.338 2.676 20 0 AFADRO CCC[N@H+](CC)Cc1cc(C)ccn1 683003584 487077549 /nfs/dbraw/zinc/07/75/49/487077549.db2.gz DNPDSANUSNTGKW-UHFFFAOYSA-N 1 0 192.306 2.622 20 0 AFADRO CC[C@H](C)[N@H+](C)Cc1cc(C)ccn1 683016427 487077907 /nfs/dbraw/zinc/07/79/07/487077907.db2.gz ZMSAAVAYVZNPKO-NSHDSACASA-N 1 0 192.306 2.620 20 0 AFADRO CC[C@@H](C)[N@H+](C)Cc1cc(C)ccn1 683016425 487077984 /nfs/dbraw/zinc/07/79/84/487077984.db2.gz ZMSAAVAYVZNPKO-LLVKDONJSA-N 1 0 192.306 2.620 20 0 AFADRO CCCC[N@H+](C)Cc1cc(C)ccn1 683001786 487078045 /nfs/dbraw/zinc/07/80/45/487078045.db2.gz YIQGKHDAAFMMFI-UHFFFAOYSA-N 1 0 192.306 2.622 20 0 AFADRO CCC[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 683049057 487078648 /nfs/dbraw/zinc/07/86/48/487078648.db2.gz JUMVWKFHTYPGBN-NWDGAFQWSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[N@H+](CCOC)[C@H]1CC[C@@H](C)C1 683049055 487078960 /nfs/dbraw/zinc/07/89/60/487078960.db2.gz JUMVWKFHTYPGBN-NEPJUHHUSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[N@H+](CCOC)[C@H]1CC[C@H](C)C1 683049058 487079024 /nfs/dbraw/zinc/07/90/24/487079024.db2.gz JUMVWKFHTYPGBN-RYUDHWBXSA-N 1 0 199.338 2.533 20 0 AFADRO CCC[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 683049059 487079087 /nfs/dbraw/zinc/07/90/87/487079087.db2.gz JUMVWKFHTYPGBN-VXGBXAGGSA-N 1 0 199.338 2.533 20 0 AFADRO CC[C@H](C)C[N@@H+]1CC(C)(C)OC[C@@H]1C 683101562 487079202 /nfs/dbraw/zinc/07/92/02/487079202.db2.gz CBPLFWPYESLSFX-QWRGUYRKSA-N 1 0 199.338 2.532 20 0 AFADRO CCCCC[N@@H+]1CC(C)(C)OC[C@@H]1C 683102324 487079292 /nfs/dbraw/zinc/07/92/92/487079292.db2.gz UTWZXPQRQGNNEF-NSHDSACASA-N 1 0 199.338 2.676 20 0 AFADRO CC[C@@H](C)C[N@@H+]1CC(C)(C)OC[C@@H]1C 683101561 487079301 /nfs/dbraw/zinc/07/93/01/487079301.db2.gz CBPLFWPYESLSFX-MNOVXSKESA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)CC[N@@H+]1CC(C)(C)OC[C@@H]1C 683102433 487079356 /nfs/dbraw/zinc/07/93/56/487079356.db2.gz ZQLMZPYTAZLVNG-NSHDSACASA-N 1 0 199.338 2.532 20 0 AFADRO CCCC[C@H](CC)[NH2+]Cc1ccno1 231882210 487079582 /nfs/dbraw/zinc/07/95/82/487079582.db2.gz RYBHPAMEAWGGDD-JTQLQIEISA-N 1 0 196.294 2.733 20 0 AFADRO CCCC[C@@H](CC)[NH2+]Cc1ccno1 231882209 487079769 /nfs/dbraw/zinc/07/97/69/487079769.db2.gz RYBHPAMEAWGGDD-SNVBAGLBSA-N 1 0 196.294 2.733 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]1C1CCC1 683108331 487079847 /nfs/dbraw/zinc/07/98/47/487079847.db2.gz AQANJPYMFPGPBY-RAIGVLPGSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]2CCC[C@H]21 683108426 487079890 /nfs/dbraw/zinc/07/98/90/487079890.db2.gz BJCPAUGGGNBOEK-FDYHWXHSSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@H+](C)C(C1CC1)C1CC1 683108389 487079897 /nfs/dbraw/zinc/07/98/97/487079897.db2.gz AZGLSMRXDRRBCV-BXKDBHETSA-N 1 0 193.334 2.763 20 0 AFADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1C1CCC1 683108336 487079963 /nfs/dbraw/zinc/07/99/63/487079963.db2.gz AQANJPYMFPGPBY-WXHSDQCUSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@H]1C[C@@H]1C[N@H+](C)C(C1CC1)C1CC1 683108393 487080069 /nfs/dbraw/zinc/08/00/69/487080069.db2.gz AZGLSMRXDRRBCV-JOYOIKCWSA-N 1 0 193.334 2.763 20 0 AFADRO CCCC(CCC)[NH2+]Cc1ccno1 231885305 487080070 /nfs/dbraw/zinc/08/00/70/487080070.db2.gz QZSBUNTUNSUCHQ-UHFFFAOYSA-N 1 0 196.294 2.733 20 0 AFADRO C[C@@H]1C[C@H]1C[N@H+](C)C(C1CC1)C1CC1 683108396 487080121 /nfs/dbraw/zinc/08/01/21/487080121.db2.gz AZGLSMRXDRRBCV-SKDRFNHKSA-N 1 0 193.334 2.763 20 0 AFADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1C1CCC1 683108325 487080184 /nfs/dbraw/zinc/08/01/84/487080184.db2.gz AQANJPYMFPGPBY-KGYLQXTDSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 683108428 487080324 /nfs/dbraw/zinc/08/03/24/487080324.db2.gz BJCPAUGGGNBOEK-XQHKEYJVSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 683108427 487080499 /nfs/dbraw/zinc/08/04/99/487080499.db2.gz BJCPAUGGGNBOEK-LPWJVIDDSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 683108429 487080514 /nfs/dbraw/zinc/08/05/14/487080514.db2.gz BJCPAUGGGNBOEK-YVECIDJPSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@H]1C[C@H]1C[N@H+](C)C(C1CC1)C1CC1 683108391 487080555 /nfs/dbraw/zinc/08/05/55/487080555.db2.gz AZGLSMRXDRRBCV-CABZTGNLSA-N 1 0 193.334 2.763 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1C1CCC1 683108335 487080609 /nfs/dbraw/zinc/08/06/09/487080609.db2.gz AQANJPYMFPGPBY-RTXFEEFZSA-N 1 0 193.334 2.907 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H](C)c1ccco1 683108859 487081041 /nfs/dbraw/zinc/08/10/41/487081041.db2.gz FTKAGUVNYZHISV-GMTAPVOTSA-N 1 0 193.290 2.928 20 0 AFADRO C[C@@H]1C[C@H]1C[NH+](CC1CC1)CC1CC1 683109579 487081130 /nfs/dbraw/zinc/08/11/30/487081130.db2.gz LSPSRAQAHVVLQT-MFKMUULPSA-N 1 0 193.334 2.764 20 0 AFADRO C[C@H]1C[C@@H]1C[NH+](CC1CC1)CC1CC1 683109577 487081162 /nfs/dbraw/zinc/08/11/62/487081162.db2.gz LSPSRAQAHVVLQT-GXFFZTMASA-N 1 0 193.334 2.764 20 0 AFADRO C[C@@H]1C[C@H]1C[N@@H+](C)[C@H](C)c1ccco1 683108860 487081203 /nfs/dbraw/zinc/08/12/03/487081203.db2.gz FTKAGUVNYZHISV-MXWKQRLJSA-N 1 0 193.290 2.928 20 0 AFADRO C[C@@H](c1ccco1)[N@H+](C)C[C@H]1C[C@H]1C 683108861 487081341 /nfs/dbraw/zinc/08/13/41/487081341.db2.gz FTKAGUVNYZHISV-OUAUKWLOSA-N 1 0 193.290 2.928 20 0 AFADRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H]1C[C@H]1C 683108862 487081356 /nfs/dbraw/zinc/08/13/56/487081356.db2.gz FTKAGUVNYZHISV-VWYCJHECSA-N 1 0 193.290 2.928 20 0 AFADRO C[C@H]1C[C@H]1C[NH+](CC1CC1)CC1CC1 683109576 487081398 /nfs/dbraw/zinc/08/13/98/487081398.db2.gz LSPSRAQAHVVLQT-GWCFXTLKSA-N 1 0 193.334 2.764 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH+](CC1CC1)CC1CC1 683109581 487081426 /nfs/dbraw/zinc/08/14/26/487081426.db2.gz LSPSRAQAHVVLQT-ZWNOBZJWSA-N 1 0 193.334 2.764 20 0 AFADRO CC(C)C1CC([NH2+][C@H]2CC2(C)C)C1 232539718 487083517 /nfs/dbraw/zinc/08/35/17/487083517.db2.gz PIHKDFUPKHQBIM-ILDUYXDCSA-N 1 0 181.323 2.809 20 0 AFADRO C[C@@H](C1CC1)[N@H+](C[C@H]1C[C@H]1C)C1CC1 683111560 487083582 /nfs/dbraw/zinc/08/35/82/487083582.db2.gz RYWJNACHCOIZPD-JFGNBEQYSA-N 1 0 193.334 2.905 20 0 AFADRO C[C@@H](C1CC1)[N@H+](C[C@@H]1C[C@H]1C)C1CC1 683111561 487083598 /nfs/dbraw/zinc/08/35/98/487083598.db2.gz RYWJNACHCOIZPD-SCVCMEIPSA-N 1 0 193.334 2.905 20 0 AFADRO C[C@@H]1C[C@H]1C[N@H+](C1CC1)[C@H](C)C1CC1 683111559 487083758 /nfs/dbraw/zinc/08/37/58/487083758.db2.gz RYWJNACHCOIZPD-FOGDFJRCSA-N 1 0 193.334 2.905 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@H+](C1CC1)[C@H](C)C1CC1 683111558 487083800 /nfs/dbraw/zinc/08/38/00/487083800.db2.gz RYWJNACHCOIZPD-CKYFFXLPSA-N 1 0 193.334 2.905 20 0 AFADRO CC(C)C[NH2+]CC1=CCCCC1 232586211 487084048 /nfs/dbraw/zinc/08/40/48/487084048.db2.gz RAIQBDMWOYPOEN-UHFFFAOYSA-N 1 0 167.296 2.732 20 0 AFADRO CCC[N@H+](CC(C)(C)COC)C1CC1 683159168 487084913 /nfs/dbraw/zinc/08/49/13/487084913.db2.gz XURKPGPIJKVOEF-UHFFFAOYSA-N 1 0 199.338 2.533 20 0 AFADRO CC[C@H]1CCC[N@@H+]1CC(C)(C)COC 683160955 487085100 /nfs/dbraw/zinc/08/51/00/487085100.db2.gz VJSUAKCLIIPQCX-NSHDSACASA-N 1 0 199.338 2.533 20 0 AFADRO CC[C@@H]1CCC[N@@H+]1CC(C)(C)COC 683160954 487085238 /nfs/dbraw/zinc/08/52/38/487085238.db2.gz VJSUAKCLIIPQCX-LLVKDONJSA-N 1 0 199.338 2.533 20 0 AFADRO Cc1c[nH+]ccc1N1CCC[C@@H](C)C1 683183756 487085266 /nfs/dbraw/zinc/08/52/66/487085266.db2.gz FACORTAFTOEQMF-SNVBAGLBSA-N 1 0 190.290 2.626 20 0 AFADRO Cc1c[nH+]ccc1N1CCC[C@H](C)C1 683183755 487085311 /nfs/dbraw/zinc/08/53/11/487085311.db2.gz FACORTAFTOEQMF-JTQLQIEISA-N 1 0 190.290 2.626 20 0 AFADRO CC[N@H+](CC(C)(C)COC)C1CCC1 683161560 487085345 /nfs/dbraw/zinc/08/53/45/487085345.db2.gz ATYQSPWPKAUXME-UHFFFAOYSA-N 1 0 199.338 2.533 20 0 AFADRO COCC(C)(C)C[NH+]1CCCCCC1 683158278 487085483 /nfs/dbraw/zinc/08/54/83/487085483.db2.gz CLGMNZRZXUUHKH-UHFFFAOYSA-N 1 0 199.338 2.535 20 0 AFADRO COCC(C)(C)C[N@H+](C)C1CCCC1 683158164 487085488 /nfs/dbraw/zinc/08/54/88/487085488.db2.gz BPAONWOIKZOQKU-UHFFFAOYSA-N 1 0 199.338 2.533 20 0 AFADRO CCC(=O)CCC[N@H+](C)C(C)(C)CC 232835821 487085929 /nfs/dbraw/zinc/08/59/29/487085929.db2.gz STIADDYLKKJASR-UHFFFAOYSA-N 1 0 199.338 2.866 20 0 AFADRO CCC(=O)CCC[N@H+](C)CC(C)(C)C 232837119 487086032 /nfs/dbraw/zinc/08/60/32/487086032.db2.gz YHNMNJXDWAMUAL-UHFFFAOYSA-N 1 0 199.338 2.724 20 0 AFADRO CCC(=O)CCC[N@H+](C)CCC(C)C 232838154 487086059 /nfs/dbraw/zinc/08/60/59/487086059.db2.gz UONOMUFGUDHLGP-UHFFFAOYSA-N 1 0 199.338 2.724 20 0 AFADRO CCC1(C[NH2+][C@H]2CS[C@@H](C)C2)CC1 232889934 487086650 /nfs/dbraw/zinc/08/66/50/487086650.db2.gz CFPSNTKVMLSMSV-VHSXEESVSA-N 1 0 199.363 2.660 20 0 AFADRO COCC1([N@H+](C)CCCC(C)C)CC1 683221514 487086865 /nfs/dbraw/zinc/08/68/65/487086865.db2.gz QOVSSHBXQYHDEX-UHFFFAOYSA-N 1 0 199.338 2.533 20 0 AFADRO CCC1(C[NH2+][C@H]2CS[C@H](C)C2)CC1 232890080 487087003 /nfs/dbraw/zinc/08/70/03/487087003.db2.gz CFPSNTKVMLSMSV-NXEZZACHSA-N 1 0 199.363 2.660 20 0 AFADRO CCCCC[NH2+][C@@H]1C[C@@H](OC)C1(C)C 232966791 487087791 /nfs/dbraw/zinc/08/77/91/487087791.db2.gz DOIZWXNOFILAPJ-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@H]1C[C@H](OC)C1(C)C 232969670 487087916 /nfs/dbraw/zinc/08/79/16/487087916.db2.gz DOIZWXNOFILAPJ-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@H]1C[C@@H](OC)C1(C)C 232969528 487088406 /nfs/dbraw/zinc/08/84/06/487088406.db2.gz DOIZWXNOFILAPJ-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@@H]1C[C@H](OC)C1(C)C 232966942 487088436 /nfs/dbraw/zinc/08/84/36/487088436.db2.gz DOIZWXNOFILAPJ-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CCC[NH2+][C@H](CC)[C@@H]1CC1(C)C 233162888 487088770 /nfs/dbraw/zinc/08/87/70/487088770.db2.gz PXMIGQZRUYFSCL-VHSXEESVSA-N 1 0 169.312 2.811 20 0 AFADRO CCC1(C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 233090664 487088859 /nfs/dbraw/zinc/08/88/59/487088859.db2.gz CFPSNTKVMLSMSV-UWVGGRQHSA-N 1 0 199.363 2.660 20 0 AFADRO CCC[N@H+](CCCC(=O)CC)C1CC1 233037607 487088866 /nfs/dbraw/zinc/08/88/66/487088866.db2.gz NBXPTAPHQRHBPS-UHFFFAOYSA-N 1 0 197.322 2.620 20 0 AFADRO CCC[N@H+](CCCC(=O)CC)C(C)C 233037584 487088940 /nfs/dbraw/zinc/08/89/40/487088940.db2.gz OHIPCSOAQCMRLJ-UHFFFAOYSA-N 1 0 199.338 2.866 20 0 AFADRO CCC[C@@H](C)[N@H+](C)CCCC(=O)CC 233275660 487088838 /nfs/dbraw/zinc/08/88/38/487088838.db2.gz XZCCEAGBPYAHLR-LLVKDONJSA-N 1 0 199.338 2.866 20 0 AFADRO CCC[NH2+][C@@H](CC)[C@H]1CC1(C)C 233120502 487088848 /nfs/dbraw/zinc/08/88/48/487088848.db2.gz PXMIGQZRUYFSCL-ZJUUUORDSA-N 1 0 169.312 2.811 20 0 AFADRO CCC[NH2+][C@@H](CC)[C@@H]1CC1(C)C 233120256 487089212 /nfs/dbraw/zinc/08/92/12/487089212.db2.gz PXMIGQZRUYFSCL-UWVGGRQHSA-N 1 0 169.312 2.811 20 0 AFADRO CCC[NH2+][C@H](CC)[C@H]1CC1(C)C 233163409 487089399 /nfs/dbraw/zinc/08/93/99/487089399.db2.gz PXMIGQZRUYFSCL-NXEZZACHSA-N 1 0 169.312 2.811 20 0 AFADRO CCC1(C[NH2+][C@@H]2CS[C@H](C)C2)CC1 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/nfs/dbraw/zinc/22/14/41/487221441.db2.gz BRGCAJHYJQKZGT-ONGXEEELSA-N 1 0 169.312 2.953 20 0 AFADRO CCC[C@@H]([NH2+]C[C@H](C)OC)C1CCC1 322462788 487221479 /nfs/dbraw/zinc/22/14/79/487221479.db2.gz MBHXIOSKONCPIU-CMPLNLGQSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H]([NH2+]C[C@@](C)(CC)OC)C1CC1 322493978 487221498 /nfs/dbraw/zinc/22/14/98/487221498.db2.gz DCQLVSDWDFBBRO-NWDGAFQWSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@H]([NH2+]C[C@@H](C)OC)C1CCC1 322462791 487221507 /nfs/dbraw/zinc/22/15/07/487221507.db2.gz MBHXIOSKONCPIU-PWSUYJOCSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@H]([NH2+]C[C@H](C)OC)C1CCC1 322462790 487221515 /nfs/dbraw/zinc/22/15/15/487221515.db2.gz MBHXIOSKONCPIU-JQWIXIFHSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H]([NH2+]CCOC(C)C)C1CCC1 322491993 487221533 /nfs/dbraw/zinc/22/15/33/487221533.db2.gz YQZZLQIATYTCQW-LBPRGKRZSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H](C[NH2+][C@H](CC)C1CCC1)OC 322491161 487221535 /nfs/dbraw/zinc/22/15/35/487221535.db2.gz YKHRRBHIIONORJ-NWDGAFQWSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@](C)(C[NH2+][C@H]1CCC[C@@H]1C)OC 322487190 487221547 /nfs/dbraw/zinc/22/15/47/487221547.db2.gz ALLNAZDDUDWIJZ-SDDRHHMPSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H](C[NH2+][C@@H](CC)C1CCC1)OC 322491163 487221556 /nfs/dbraw/zinc/22/15/56/487221556.db2.gz YKHRRBHIIONORJ-RYUDHWBXSA-N 1 0 199.338 2.580 20 0 AFADRO CCOCCC[NH2+][C@@H](CC)C1CCC1 322475040 487221573 /nfs/dbraw/zinc/22/15/73/487221573.db2.gz QIZWKGGZANVREZ-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@](C)(C[NH2+][C@@H]1CC[C@@H](C)C1)OC 322494329 487221627 /nfs/dbraw/zinc/22/16/27/487221627.db2.gz DHSHSPWRTXZIFN-IJLUTSLNSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C)[NH2+][C@H](CC)C1CCC1 322429637 487221629 /nfs/dbraw/zinc/22/16/29/487221629.db2.gz BRGCAJHYJQKZGT-GXSJLCMTSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@H]([NH2+][C@H](C)CC)C1CCC1 322429638 487221645 /nfs/dbraw/zinc/22/16/45/487221645.db2.gz BRGCAJHYJQKZGT-KOLCDFICSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@](C)(C[NH2+][C@H]1CCC[C@H]1C)OC 322487186 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YKHRRBHIIONORJ-VXGBXAGGSA-N 1 0 199.338 2.580 20 0 AFADRO CCOCCC[NH2+][C@H](CC)C1CCC1 322475039 487221767 /nfs/dbraw/zinc/22/17/67/487221767.db2.gz QIZWKGGZANVREZ-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@](C)(C[NH2+][C@@H]1CCC[C@@H]1C)OC 322487189 487221788 /nfs/dbraw/zinc/22/17/88/487221788.db2.gz ALLNAZDDUDWIJZ-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](CC)C1CCC1 322429640 487221793 /nfs/dbraw/zinc/22/17/93/487221793.db2.gz BRGCAJHYJQKZGT-MWLCHTKSSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C1CC1 322493980 487221837 /nfs/dbraw/zinc/22/18/37/487221837.db2.gz DCQLVSDWDFBBRO-VXGBXAGGSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@](C)(C[NH2+][C@H]1CCC1(C)C)OC 322545758 487222081 /nfs/dbraw/zinc/22/20/81/487222081.db2.gz ULVWSNSSGODNAW-CMPLNLGQSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H]([NH2+]CC(C)C)C1CCC1 322513729 487222090 /nfs/dbraw/zinc/22/20/90/487222090.db2.gz HHRABVNHWHBWMP-LLVKDONJSA-N 1 0 169.312 2.811 20 0 AFADRO 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/nfs/dbraw/zinc/22/28/84/487222884.db2.gz LRWKKCGZEGWGGX-LBPRGKRZSA-N 1 0 181.323 2.955 20 0 AFADRO CC[C@H]([NH2+][C@H]1CC1(C)C)C1CCC1 322815560 487222962 /nfs/dbraw/zinc/22/29/62/487222962.db2.gz FUWQNACDLAZEPW-QWRGUYRKSA-N 1 0 181.323 2.953 20 0 AFADRO CCC[C@@H](C)[NH2+]C[C@@](C)(CC)OC 322805667 487222968 /nfs/dbraw/zinc/22/29/68/487222968.db2.gz RXIVRHTWOFNJLQ-GHMZBOCLSA-N 1 0 187.327 2.580 20 0 AFADRO CCC(CC)[NH2+]C[C@](C)(CC)OC 322814882 487222974 /nfs/dbraw/zinc/22/29/74/487222974.db2.gz VEDSZYKZFGNZOY-NSHDSACASA-N 1 0 187.327 2.580 20 0 AFADRO CCC[C@H](C)[NH2+]C[C@](C)(CC)OC 322805669 487222921 /nfs/dbraw/zinc/22/29/21/487222921.db2.gz RXIVRHTWOFNJLQ-QWRGUYRKSA-N 1 0 187.327 2.580 20 0 AFADRO CC[C@@H]([NH2+]CCC1CC1)C1CCC1 322841651 487223152 /nfs/dbraw/zinc/22/31/52/487223152.db2.gz LRWKKCGZEGWGGX-GFCCVEGCSA-N 1 0 181.323 2.955 20 0 AFADRO CC[C@H]([NH2+][C@@H]1CC1(C)C)C1CCC1 322815568 487223130 /nfs/dbraw/zinc/22/31/30/487223130.db2.gz FUWQNACDLAZEPW-WDEREUQCSA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@H]([NH2+][C@H](CC)COC)C1CCC1 322722203 487223171 /nfs/dbraw/zinc/22/31/71/487223171.db2.gz TZRDIHIJZRSGFG-NEPJUHHUSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H](COC)[NH2+][C@@H](CC)C1CCC1 322722206 487223221 /nfs/dbraw/zinc/22/32/21/487223221.db2.gz TZRDIHIJZRSGFG-RYUDHWBXSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)C1CCC1 322815542 487223227 /nfs/dbraw/zinc/22/32/27/487223227.db2.gz FUWQNACDLAZEPW-GHMZBOCLSA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@H]([NH2+]CC1CCC1)C1CCC1 322844404 487223239 /nfs/dbraw/zinc/22/32/39/487223239.db2.gz MWMKXAAERYFHCB-LBPRGKRZSA-N 1 0 181.323 2.955 20 0 AFADRO CCC[C@@H](C)[NH2+]C[C@](C)(CC)OC 322805668 487223245 /nfs/dbraw/zinc/22/32/45/487223245.db2.gz RXIVRHTWOFNJLQ-MNOVXSKESA-N 1 0 187.327 2.580 20 0 AFADRO CC[C@@H](COC)[NH2+][C@H](CC)C1CCC1 322722204 487223248 /nfs/dbraw/zinc/22/32/48/487223248.db2.gz TZRDIHIJZRSGFG-NWDGAFQWSA-N 1 0 199.338 2.580 20 0 AFADRO CCC(CC)[NH2+]C[C@@](C)(CC)OC 322814881 487223259 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2.811 20 0 AFADRO CCC[C@@H]([NH2+]C(C)C)C1CCC1 322850238 487223834 /nfs/dbraw/zinc/22/38/34/487223834.db2.gz PHOYQPUFKWFPGL-LLVKDONJSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@H]([NH2+]Cc1ccco1)C1CCC1 322871855 487223850 /nfs/dbraw/zinc/22/38/50/487223850.db2.gz WKENQPBHRSGHSD-LBPRGKRZSA-N 1 0 193.290 2.948 20 0 AFADRO CC[C@@H]([NH2+]Cc1ccco1)C1CCC1 322871854 487223878 /nfs/dbraw/zinc/22/38/78/487223878.db2.gz WKENQPBHRSGHSD-GFCCVEGCSA-N 1 0 193.290 2.948 20 0 AFADRO CCC[C@H]([NH2+]CCF)C1CCC1 322855668 487223882 /nfs/dbraw/zinc/22/38/82/487223882.db2.gz RKHSZNWRSYCDSV-JTQLQIEISA-N 1 0 173.275 2.514 20 0 AFADRO CCC[C@@H]([NH2+]CCF)C1CCC1 322855669 487223888 /nfs/dbraw/zinc/22/38/88/487223888.db2.gz RKHSZNWRSYCDSV-SNVBAGLBSA-N 1 0 173.275 2.514 20 0 AFADRO CC[C@@H]([NH2+][C@@H]1CCSC1)C1CCC1 322845868 487223893 /nfs/dbraw/zinc/22/38/93/487223893.db2.gz NMXJNLKLYCJWBD-GHMZBOCLSA-N 1 0 199.363 2.660 20 0 AFADRO CC[C@H]([NH2+][C@H]1CCSC1)C1CCC1 322845870 487223924 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CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 323716826 487224776 /nfs/dbraw/zinc/22/47/76/487224776.db2.gz LOKYYLUBYBVZDA-MROQNXINSA-N 1 0 193.334 2.953 20 0 AFADRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 323716827 487224813 /nfs/dbraw/zinc/22/48/13/487224813.db2.gz LOKYYLUBYBVZDA-QNWHQSFQSA-N 1 0 193.334 2.953 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C(C)C)C1CC1 324179512 487224986 /nfs/dbraw/zinc/22/49/86/487224986.db2.gz XAJDLIZMQGLHSO-MWLCHTKSSA-N 1 0 169.312 2.809 20 0 AFADRO CC[C@H]([NH2+][C@H](CC)C1CC1)C1CC1 324222272 487224999 /nfs/dbraw/zinc/22/49/99/487224999.db2.gz WLTURMSEHWFDTG-TXEJJXNPSA-N 1 0 181.323 2.953 20 0 AFADRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 324147497 487225083 /nfs/dbraw/zinc/22/50/83/487225083.db2.gz LOKYYLUBYBVZDA-YVECIDJPSA-N 1 0 193.334 2.953 20 0 AFADRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@H]12)C1CC1 324147496 487225090 /nfs/dbraw/zinc/22/50/90/487225090.db2.gz LOKYYLUBYBVZDA-XQHKEYJVSA-N 1 0 193.334 2.953 20 0 AFADRO 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CCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378740088 487235047 /nfs/dbraw/zinc/23/50/47/487235047.db2.gz OSPHLADSEDXJIG-WRWGMCAJSA-N 1 0 181.323 2.953 20 0 AFADRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 378755339 487235136 /nfs/dbraw/zinc/23/51/36/487235136.db2.gz XQFZGKIBQONZLX-GWNIPJSYSA-N 1 0 193.334 2.811 20 0 AFADRO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 378755340 487235142 /nfs/dbraw/zinc/23/51/42/487235142.db2.gz XQFZGKIBQONZLX-MGAJPHDKSA-N 1 0 193.334 2.811 20 0 AFADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 378740101 487235207 /nfs/dbraw/zinc/23/52/07/487235207.db2.gz OSPHLADSEDXJIG-YFKTTZPYSA-N 1 0 181.323 2.953 20 0 AFADRO CCC[C@@H](C)[NH2+][C@H]1CCC[C@H]2C[C@H]21 378740086 487235265 /nfs/dbraw/zinc/23/52/65/487235265.db2.gz OSPHLADSEDXJIG-KXNHARMFSA-N 1 0 181.323 2.953 20 0 AFADRO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 378755341 487235355 /nfs/dbraw/zinc/23/53/55/487235355.db2.gz XQFZGKIBQONZLX-SYEHKZFSSA-N 1 0 193.334 2.811 20 0 AFADRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 378755338 487235358 /nfs/dbraw/zinc/23/53/58/487235358.db2.gz XQFZGKIBQONZLX-FTYKPCCVSA-N 1 0 193.334 2.811 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC 378810335 487235820 /nfs/dbraw/zinc/23/58/20/487235820.db2.gz ZVKGTNQZTBRZBB-DDHJBXDOSA-N 1 0 199.338 2.578 20 0 AFADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC 378810336 487235879 /nfs/dbraw/zinc/23/58/79/487235879.db2.gz ZVKGTNQZTBRZBB-IRCOFANPSA-N 1 0 199.338 2.578 20 0 AFADRO CC[C@@H]([NH2+]CC(C)(F)F)C(C)C 378846541 487235972 /nfs/dbraw/zinc/23/59/72/487235972.db2.gz ADPXBVJFDZOFOS-MRVPVSSYSA-N 1 0 179.254 2.666 20 0 AFADRO CC[C@H]([NH2+]CC(C)(F)F)C(C)C 378846542 487235987 /nfs/dbraw/zinc/23/59/87/487235987.db2.gz ADPXBVJFDZOFOS-QMMMGPOBSA-N 1 0 179.254 2.666 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC 378810337 487236030 /nfs/dbraw/zinc/23/60/30/487236030.db2.gz ZVKGTNQZTBRZBB-WRWGMCAJSA-N 1 0 199.338 2.578 20 0 AFADRO FCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 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487330213 /nfs/dbraw/zinc/33/02/13/487330213.db2.gz BLIPWYFQCUHSRG-GFCCVEGCSA-N 1 0 193.334 2.909 20 0 AFADRO CC1(C[NH2+][C@@H]2C[C@H]2c2ccco2)CC1 666482042 487330322 /nfs/dbraw/zinc/33/03/22/487330322.db2.gz CLYYBZWYMFBSTB-NXEZZACHSA-N 1 0 191.274 2.525 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](C2CCC2)C1 666487706 487330496 /nfs/dbraw/zinc/33/04/96/487330496.db2.gz ICPIVFUZNMRPQJ-KGYLQXTDSA-N 1 0 193.334 2.764 20 0 AFADRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccco1 666455011 487330549 /nfs/dbraw/zinc/33/05/49/487330549.db2.gz NPTTXTVHDIWSNB-JTQLQIEISA-N 1 0 193.290 2.900 20 0 AFADRO CC(C)CNc1ccc([C@@H](C)[NH3+])cc1 666750097 487335094 /nfs/dbraw/zinc/33/50/94/487335094.db2.gz AOIPMXFYMPPBJY-SNVBAGLBSA-N 1 0 192.306 2.774 20 0 AFADRO C[C@@H]([NH3+])c1ccc(NCC2CC2)cc1 666750102 487335407 /nfs/dbraw/zinc/33/54/07/487335407.db2.gz BNPKQJHVMDPMTE-SECBINFHSA-N 1 0 190.290 2.528 20 0 AFADRO C[C@H]([NH3+])c1ccc(NCC2CC2)cc1 666750103 487335442 /nfs/dbraw/zinc/33/54/42/487335442.db2.gz 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C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 668299635 487361520 /nfs/dbraw/zinc/36/15/20/487361520.db2.gz NNLYZFKLYVBMLO-RHYQMDGZSA-N 1 0 179.307 2.517 20 0 AFADRO C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 668299636 487361541 /nfs/dbraw/zinc/36/15/41/487361541.db2.gz NNLYZFKLYVBMLO-YFKTTZPYSA-N 1 0 179.307 2.517 20 0 AFADRO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 668299634 487361788 /nfs/dbraw/zinc/36/17/88/487361788.db2.gz NNLYZFKLYVBMLO-BJDJZHNGSA-N 1 0 179.307 2.517 20 0 AFADRO CC(C)(C)CC[NH2+][C@@]12CCC[C@@H]1C2 668446824 487362544 /nfs/dbraw/zinc/36/25/44/487362544.db2.gz JTCWEZIQQDZHHH-ZYHUDNBSSA-N 1 0 181.323 2.955 20 0 AFADRO CC(C)(C)CC[NH2+][C@]12CCC[C@H]1C2 668446820 487362560 /nfs/dbraw/zinc/36/25/60/487362560.db2.gz JTCWEZIQQDZHHH-JQWIXIFHSA-N 1 0 181.323 2.955 20 0 AFADRO CCC(CC)C[NH2+][C@@]12CCC[C@@H]1C2 668446410 487362685 /nfs/dbraw/zinc/36/26/85/487362685.db2.gz FZXPMJJMHUTMPM-VXGBXAGGSA-N 1 0 181.323 2.955 20 0 AFADRO CCC(CC)C[NH2+][C@]12CCC[C@H]1C2 668446409 487362854 /nfs/dbraw/zinc/36/28/54/487362854.db2.gz FZXPMJJMHUTMPM-RYUDHWBXSA-N 1 0 181.323 2.955 20 0 AFADRO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]2C[C@H]12 668570157 487364142 /nfs/dbraw/zinc/36/41/42/487364142.db2.gz PUXNAVCDOJWXNY-VWYCJHECSA-N 1 0 199.313 2.903 20 0 AFADRO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 668570156 487364191 /nfs/dbraw/zinc/36/41/91/487364191.db2.gz PUXNAVCDOJWXNY-OUAUKWLOSA-N 1 0 199.313 2.903 20 0 AFADRO CC(C)(C)CC[NH2+]CCc1ccoc1 668580706 487364425 /nfs/dbraw/zinc/36/44/25/487364425.db2.gz QWZPVXWIQGUPAU-UHFFFAOYSA-N 1 0 195.306 2.848 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]CCCC1CCC1 668584829 487364611 /nfs/dbraw/zinc/36/46/11/487364611.db2.gz WDMDELBMMNVOPV-JQWIXIFHSA-N 1 0 181.323 2.812 20 0 AFADRO C[C@@H]1C[C@H]1C[NH2+]CCCC1CCC1 668584830 487364707 /nfs/dbraw/zinc/36/47/07/487364707.db2.gz WDMDELBMMNVOPV-PWSUYJOCSA-N 1 0 181.323 2.812 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH2+]CCCC1CCC1 668584831 487364932 /nfs/dbraw/zinc/36/49/32/487364932.db2.gz 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AFADRO CC(C)CC1([NH2+]C[C@@H]2C[C@@H]2C)CC1 668718777 487368128 /nfs/dbraw/zinc/36/81/28/487368128.db2.gz DLCBAEIOCCDLMB-QWRGUYRKSA-N 1 0 181.323 2.811 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H]1CC1(C)C 668814336 487368965 /nfs/dbraw/zinc/36/89/65/487368965.db2.gz HALIYLVJPSFZPR-MXWKQRLJSA-N 1 0 181.323 2.620 20 0 AFADRO C[C@@H]1C[C@H]1C[N@H+](C)C[C@@H]1CC1(C)C 668814338 487369061 /nfs/dbraw/zinc/36/90/61/487369061.db2.gz HALIYLVJPSFZPR-VWYCJHECSA-N 1 0 181.323 2.620 20 0 AFADRO C[N@H+](C[C@@H]1CC1(C)C)CC1(C)CC1 668814913 487369102 /nfs/dbraw/zinc/36/91/02/487369102.db2.gz XXUPRUFYFJJIPB-JTQLQIEISA-N 1 0 181.323 2.764 20 0 AFADRO C[N@@H+](Cc1ccco1)C[C@H]1CC1(C)C 668815353 487369254 /nfs/dbraw/zinc/36/92/54/487369254.db2.gz LJLWKGXZBJVJFM-SNVBAGLBSA-N 1 0 193.290 2.758 20 0 AFADRO C[N@@H+](Cc1ccco1)C[C@@H]1CC1(C)C 668815352 487369264 /nfs/dbraw/zinc/36/92/64/487369264.db2.gz LJLWKGXZBJVJFM-JTQLQIEISA-N 1 0 193.290 2.758 20 0 AFADRO C[N@H+](C[C@H]1CC1(C)C)CC1(C)CC1 668814914 487369299 /nfs/dbraw/zinc/36/92/99/487369299.db2.gz XXUPRUFYFJJIPB-SNVBAGLBSA-N 1 0 181.323 2.764 20 0 AFADRO C[C@@H]1C[C@H]1C[N@H+](C)C[C@H]1CC1(C)C 668814337 487369367 /nfs/dbraw/zinc/36/93/67/487369367.db2.gz HALIYLVJPSFZPR-OUAUKWLOSA-N 1 0 181.323 2.620 20 0 AFADRO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@H]1CC1(C)C 668814335 487369428 /nfs/dbraw/zinc/36/94/28/487369428.db2.gz HALIYLVJPSFZPR-GMTAPVOTSA-N 1 0 181.323 2.620 20 0 AFADRO CO[C@H](C[NH2+]C1CCCC1)CC(C)C 669424607 487372366 /nfs/dbraw/zinc/37/23/66/487372366.db2.gz JAGFWJBWGWEOJR-LBPRGKRZSA-N 1 0 199.338 2.580 20 0 AFADRO CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 669417357 487372425 /nfs/dbraw/zinc/37/24/25/487372425.db2.gz LNTSXTDYBKRHLG-KXUCPTDWSA-N 1 0 195.331 2.850 20 0 AFADRO CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 669417358 487372478 /nfs/dbraw/zinc/37/24/78/487372478.db2.gz LNTSXTDYBKRHLG-LPEHRKFASA-N 1 0 195.331 2.850 20 0 AFADRO CO[C@@H](C[NH2+]C1CCCC1)CC(C)C 669424606 487372564 /nfs/dbraw/zinc/37/25/64/487372564.db2.gz 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Cc1cc(C[N@H+]2CC[C@@H](C)C2)c(C)o1 769103142 582837364 /nfs/dbraw/zinc/83/73/64/582837364.db2.gz SPTGFZFHUHGQSW-SECBINFHSA-N 1 0 193.290 2.738 20 0 AFADRO Cc1cc(C[N@H+]2CCC[C@@H]2C)c(C)o1 769388549 582838740 /nfs/dbraw/zinc/83/87/40/582838740.db2.gz BAKNCWVTYOJXBH-VIFPVBQESA-N 1 0 193.290 2.881 20 0 AFADRO Cc1cc(C[N@H+]2CCC[C@H]2C)c(C)o1 769388548 582839485 /nfs/dbraw/zinc/83/94/85/582839485.db2.gz BAKNCWVTYOJXBH-SECBINFHSA-N 1 0 193.290 2.881 20 0 AFADRO Cc1cc(C[N@@H+](C)C2CCC2)c(C)o1 769447801 582840313 /nfs/dbraw/zinc/84/03/13/582840313.db2.gz ZLXMWAOQJFCTTH-UHFFFAOYSA-N 1 0 193.290 2.881 20 0 AFADRO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 774851393 582859649 /nfs/dbraw/zinc/85/96/49/582859649.db2.gz CLOMJWWHDJCLLZ-NEPJUHHUSA-N 1 0 195.306 2.554 20 0 AFADRO C[N@H+](C[C@H]1CCC=CO1)C1CCCC1 774837261 582859669 /nfs/dbraw/zinc/85/96/69/582859669.db2.gz OKDWGKYEFZHJRI-GFCCVEGCSA-N 1 0 195.306 2.554 20 0 AFADRO CCC[N@H+](C[C@H]1CCC=CO1)C1CC1 774834855 582859681 /nfs/dbraw/zinc/85/96/81/582859681.db2.gz JPVMNZAEWWSPEY-GFCCVEGCSA-N 1 0 195.306 2.554 20 0 AFADRO CC[N@H+](CC(C)C)C[C@@H]1CCC=CO1 774833865 582859845 /nfs/dbraw/zinc/85/98/45/582859845.db2.gz PVJOBPBGECCFQB-LBPRGKRZSA-N 1 0 197.322 2.657 20 0 AFADRO CC(C)C(N)=[NH+]OCC1CCCCC1 774783159 582859856 /nfs/dbraw/zinc/85/98/56/582859856.db2.gz JTTYNTSPPCQRBP-UHFFFAOYSA-N 1 0 198.310 2.721 20 0 AFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 774821046 582859908 /nfs/dbraw/zinc/85/99/08/582859908.db2.gz UESPYCOXXQUTKB-VXGBXAGGSA-N 1 0 195.306 2.554 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@@H]1CCC=CO1 774834512 582859915 /nfs/dbraw/zinc/85/99/15/582859915.db2.gz WGAGJZLXDINVJJ-RYUDHWBXSA-N 1 0 197.322 2.800 20 0 AFADRO CCC[NH+](CCC)C[C@H]1CCC=CO1 774821716 582859937 /nfs/dbraw/zinc/85/99/37/582859937.db2.gz QQXWHGHXBQZYIR-GFCCVEGCSA-N 1 0 197.322 2.801 20 0 AFADRO CC[N@H+](CC(C)C)C[C@H]1CCC=CO1 774833864 582860071 /nfs/dbraw/zinc/86/00/71/582860071.db2.gz PVJOBPBGECCFQB-GFCCVEGCSA-N 1 0 197.322 2.657 20 0 AFADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCC=CO1 774834184 582860104 /nfs/dbraw/zinc/86/01/04/582860104.db2.gz CYXHKTUJQYCXNW-NEPJUHHUSA-N 1 0 197.322 2.655 20 0 AFADRO C[N@H+](C[C@H]1CCC=CO1)CC(C)(C)C 774846993 582860145 /nfs/dbraw/zinc/86/01/45/582860145.db2.gz SSRIZJCWNUVXDA-LLVKDONJSA-N 1 0 197.322 2.657 20 0 AFADRO CCC[NH+](CCC)C[C@@H]1CCC=CO1 774821717 582860154 /nfs/dbraw/zinc/86/01/54/582860154.db2.gz QQXWHGHXBQZYIR-LBPRGKRZSA-N 1 0 197.322 2.801 20 0 AFADRO CC[C@@H](C)C[N@H+](C)C[C@H]1CCC=CO1 774838775 582860156 /nfs/dbraw/zinc/86/01/56/582860156.db2.gz KXPXRXFBIYUJIC-VXGBXAGGSA-N 1 0 197.322 2.657 20 0 AFADRO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCC=CO1 774834187 582860169 /nfs/dbraw/zinc/86/01/69/582860169.db2.gz CYXHKTUJQYCXNW-RYUDHWBXSA-N 1 0 197.322 2.655 20 0 AFADRO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 774851411 582860201 /nfs/dbraw/zinc/86/02/01/582860201.db2.gz CLOMJWWHDJCLLZ-VXGBXAGGSA-N 1 0 195.306 2.554 20 0 AFADRO CCCC[N@H+](CC)C[C@@H]1CCC=CO1 774821603 582860235 /nfs/dbraw/zinc/86/02/35/582860235.db2.gz YOSYTQJOODVVTE-LBPRGKRZSA-N 1 0 197.322 2.801 20 0 AFADRO CC(C)[C@H](C)[N@H+](C)C[C@H]1CCC=CO1 774834186 582860241 /nfs/dbraw/zinc/86/02/41/582860241.db2.gz CYXHKTUJQYCXNW-NWDGAFQWSA-N 1 0 197.322 2.655 20 0 AFADRO CC(C)[N@H+](C[C@@H]1CCC=CO1)C1CC1 774838180 582860265 /nfs/dbraw/zinc/86/02/65/582860265.db2.gz BNSZWGBNDIAXHP-LBPRGKRZSA-N 1 0 195.306 2.552 20 0 AFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 774821044 582860285 /nfs/dbraw/zinc/86/02/85/582860285.db2.gz UESPYCOXXQUTKB-NWDGAFQWSA-N 1 0 195.306 2.554 20 0 AFADRO C1=CO[C@H](C[NH+]2CCCCCC2)CC1 774820973 582860302 /nfs/dbraw/zinc/86/03/02/582860302.db2.gz KDTAMCQCDQBAFV-LBPRGKRZSA-N 1 0 195.306 2.555 20 0 AFADRO CC(C)CC[N@H+](C)C[C@H]1CCC=CO1 774834250 582860327 /nfs/dbraw/zinc/86/03/27/582860327.db2.gz FCUBJZRVZBMBMG-GFCCVEGCSA-N 1 0 197.322 2.657 20 0 AFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 774821043 582860338 /nfs/dbraw/zinc/86/03/38/582860338.db2.gz UESPYCOXXQUTKB-NEPJUHHUSA-N 1 0 195.306 2.554 20 0 AFADRO CCC[C@@H](C)[N@H+](C)C[C@H]1CCC=CO1 774834517 582860343 /nfs/dbraw/zinc/86/03/43/582860343.db2.gz WGAGJZLXDINVJJ-VXGBXAGGSA-N 1 0 197.322 2.800 20 0 AFADRO C[N@H+](C[C@@H]1CCC=CO1)CC(C)(C)C 774846996 582860351 /nfs/dbraw/zinc/86/03/51/582860351.db2.gz SSRIZJCWNUVXDA-NSHDSACASA-N 1 0 197.322 2.657 20 0 AFADRO CC[C@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 774851399 582860441 /nfs/dbraw/zinc/86/04/41/582860441.db2.gz CLOMJWWHDJCLLZ-NWDGAFQWSA-N 1 0 195.306 2.554 20 0 AFADRO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC=CO1 774834506 582860471 /nfs/dbraw/zinc/86/04/71/582860471.db2.gz WGAGJZLXDINVJJ-NEPJUHHUSA-N 1 0 197.322 2.800 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@H]1CCC=CO1 774834509 582860481 /nfs/dbraw/zinc/86/04/81/582860481.db2.gz WGAGJZLXDINVJJ-NWDGAFQWSA-N 1 0 197.322 2.800 20 0 AFADRO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCC=CO1 774838771 582860487 /nfs/dbraw/zinc/86/04/87/582860487.db2.gz KXPXRXFBIYUJIC-NEPJUHHUSA-N 1 0 197.322 2.657 20 0 AFADRO CCC[N@H+](C[C@@H]1CCC=CO1)C1CC1 774834857 582860531 /nfs/dbraw/zinc/86/05/31/582860531.db2.gz JPVMNZAEWWSPEY-LBPRGKRZSA-N 1 0 195.306 2.554 20 0 AFADRO CC[C@H](C)C[N@H+](C)C[C@@H]1CCC=CO1 774838774 582860556 /nfs/dbraw/zinc/86/05/56/582860556.db2.gz KXPXRXFBIYUJIC-RYUDHWBXSA-N 1 0 197.322 2.657 20 0 AFADRO CC(C)[N@H+](C[C@H]1CCC=CO1)C1CC1 774838178 582860581 /nfs/dbraw/zinc/86/05/81/582860581.db2.gz BNSZWGBNDIAXHP-GFCCVEGCSA-N 1 0 195.306 2.552 20 0 AFADRO CCCC[N@H+](CC)C[C@H]1CCC=CO1 774821601 582860602 /nfs/dbraw/zinc/86/06/02/582860602.db2.gz YOSYTQJOODVVTE-GFCCVEGCSA-N 1 0 197.322 2.801 20 0 AFADRO C[N@H+](C[C@@H]1CCC=CO1)C1CCCC1 774837263 582860615 /nfs/dbraw/zinc/86/06/15/582860615.db2.gz OKDWGKYEFZHJRI-LBPRGKRZSA-N 1 0 195.306 2.554 20 0 AFADRO CC[C@H](C)C[N@H+](C)C[C@H]1CCC=CO1 774838773 582860620 /nfs/dbraw/zinc/86/06/20/582860620.db2.gz KXPXRXFBIYUJIC-NWDGAFQWSA-N 1 0 197.322 2.657 20 0 AFADRO CC(C)CC[N@H+](C)C[C@@H]1CCC=CO1 774834252 582860626 /nfs/dbraw/zinc/86/06/26/582860626.db2.gz FCUBJZRVZBMBMG-LBPRGKRZSA-N 1 0 197.322 2.657 20 0 AFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 774821045 582860635 /nfs/dbraw/zinc/86/06/35/582860635.db2.gz UESPYCOXXQUTKB-RYUDHWBXSA-N 1 0 195.306 2.554 20 0 AFADRO C1=CO[C@@H](C[NH+]2CCCCCC2)CC1 774820972 582860645 /nfs/dbraw/zinc/86/06/45/582860645.db2.gz KDTAMCQCDQBAFV-GFCCVEGCSA-N 1 0 195.306 2.555 20 0 AFADRO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCC=CO1 774834188 582860652 /nfs/dbraw/zinc/86/06/52/582860652.db2.gz CYXHKTUJQYCXNW-VXGBXAGGSA-N 1 0 197.322 2.655 20 0 AFADRO CC[C@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 774851406 582860662 /nfs/dbraw/zinc/86/06/62/582860662.db2.gz CLOMJWWHDJCLLZ-RYUDHWBXSA-N 1 0 195.306 2.554 20 0 AFADRO CCC(C)(C)[N@H+](C)C[C@H]1CCC=CO1 774881092 582861135 /nfs/dbraw/zinc/86/11/35/582861135.db2.gz PFALZKBYHAEHJF-LLVKDONJSA-N 1 0 197.322 2.800 20 0 AFADRO C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCC=CO1 774914082 582861246 /nfs/dbraw/zinc/86/12/46/582861246.db2.gz VEZODJKPUVCMIN-GRYCIOLGSA-N 1 0 195.306 2.552 20 0 AFADRO C[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CCC=CO1 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185.286 2.611 20 0 AFADRO CC1(C[NH+]2CCC(F)CC2)CCC1 880239551 583427026 /nfs/dbraw/zinc/42/70/26/583427026.db2.gz LDKPWFOUTFKSIR-UHFFFAOYSA-N 1 0 185.286 2.611 20 0 AFADRO CC1(C[N@@H+]2CCC[C@H](CF)C2)CCC1 880237006 583427032 /nfs/dbraw/zinc/42/70/32/583427032.db2.gz OHLQTJBTSYWGHK-LLVKDONJSA-N 1 0 199.313 2.858 20 0 AFADRO CC[C@H](C)C[N@@H+]1CCC[C@H](CF)C1 880233879 583427045 /nfs/dbraw/zinc/42/70/45/583427045.db2.gz OYPDMUKSWKOMOO-WDEREUQCSA-N 1 0 187.302 2.714 20 0 AFADRO CC[C@@H](C)C[N@@H+]1CCC[C@H](CF)C1 880233876 583427069 /nfs/dbraw/zinc/42/70/69/583427069.db2.gz OYPDMUKSWKOMOO-GHMZBOCLSA-N 1 0 187.302 2.714 20 0 AFADRO CCC[C@H](C)[N@@H+]1CCC[C@H](CF)C1 880237039 583427094 /nfs/dbraw/zinc/42/70/94/583427094.db2.gz OUVFRXDMSIKWKL-WDEREUQCSA-N 1 0 187.302 2.857 20 0 AFADRO CC(C)CC[N@@H+]1CCC[C@H](CF)C1 880234947 583427139 /nfs/dbraw/zinc/42/71/39/583427139.db2.gz MCICRXXFCIPDCJ-LLVKDONJSA-N 1 0 187.302 2.714 20 0 AFADRO CC[C@H](C)C[N@@H+]1CCC[C@@H](CF)C1 880233878 583427155 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/nfs/dbraw/zinc/11/14/01/490111401.db2.gz QKAZZJKZVHGNET-NSHDSACASA-N 1 0 181.323 2.977 20 0 AFADRO CC(C)C[C@@H](C)C[NH2+]C1CC=CC1 300956727 490111567 /nfs/dbraw/zinc/11/15/67/490111567.db2.gz QKAZZJKZVHGNET-LLVKDONJSA-N 1 0 181.323 2.977 20 0 AFADRO CCC1(C[NH2+][C@@H](C)C(C)(C)OC)CC1 300996901 490113238 /nfs/dbraw/zinc/11/32/38/490113238.db2.gz MJKANNGDOVYSEQ-JTQLQIEISA-N 1 0 199.338 2.580 20 0 AFADRO CCC1(C[NH2+][C@H](C)C(C)(C)OC)CC1 300996905 490113302 /nfs/dbraw/zinc/11/33/02/490113302.db2.gz MJKANNGDOVYSEQ-SNVBAGLBSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCC1 306312540 490120186 /nfs/dbraw/zinc/12/01/86/490120186.db2.gz NPGIVYSKDXWRAF-SYEHKZFSSA-N 1 0 193.334 2.953 20 0 AFADRO CC(C)(C)C[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306533740 490124519 /nfs/dbraw/zinc/12/45/19/490124519.db2.gz DEFMLGHEXGCDIR-VWYCJHECSA-N 1 0 181.323 2.811 20 0 AFADRO CC(C)CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 306534375 490124533 /nfs/dbraw/zinc/12/45/33/490124533.db2.gz 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490140145 /nfs/dbraw/zinc/14/01/45/490140145.db2.gz MNUPNUNHOWKJTI-VHSXEESVSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@H](C)[C@H](C)[NH2+]C1(CC)CC1 379723201 490140190 /nfs/dbraw/zinc/14/01/90/490140190.db2.gz MNUPNUNHOWKJTI-UWVGGRQHSA-N 1 0 169.312 2.953 20 0 AFADRO CCC[C@@H](C)[NH2+]C1(CC)CC1 379721451 490140202 /nfs/dbraw/zinc/14/02/02/490140202.db2.gz FWSWEMFYVFZWNU-SECBINFHSA-N 1 0 155.285 2.707 20 0 AFADRO CC[C@@H](C)[C@H](C)[NH2+]C1(CC)CC1 379723203 490140247 /nfs/dbraw/zinc/14/02/47/490140247.db2.gz MNUPNUNHOWKJTI-ZJUUUORDSA-N 1 0 169.312 2.953 20 0 AFADRO CCC[C@H](C)[NH2+]C1(CC)CC1 379721452 490140408 /nfs/dbraw/zinc/14/04/08/490140408.db2.gz FWSWEMFYVFZWNU-VIFPVBQESA-N 1 0 155.285 2.707 20 0 AFADRO CCC1([NH2+][C@H](C)CC(C)C)CC1 379727777 490140434 /nfs/dbraw/zinc/14/04/34/490140434.db2.gz YRDFTNNORITHHP-SNVBAGLBSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 393180450 490142210 /nfs/dbraw/zinc/14/22/10/490142210.db2.gz LOKYYLUBYBVZDA-LOWDOPEQSA-N 1 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CC(C)CC[N@H+](C)C[C@H]1CC[C@@H](C)O1 682756111 490169842 /nfs/dbraw/zinc/16/98/42/490169842.db2.gz YGSDLLDKSFAYGU-VXGBXAGGSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 682755800 490169860 /nfs/dbraw/zinc/16/98/60/490169860.db2.gz KLZACOQBZAPAQP-QJPTWQEYSA-N 1 0 199.338 2.674 20 0 AFADRO CC(C)[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 682756283 490169910 /nfs/dbraw/zinc/16/99/10/490169910.db2.gz PSKSBAITCIXITP-GRYCIOLGSA-N 1 0 199.338 2.530 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@H]1CC[C@H](C)O1 682755803 490169988 /nfs/dbraw/zinc/16/99/88/490169988.db2.gz KLZACOQBZAPAQP-SDDRHHMPSA-N 1 0 199.338 2.674 20 0 AFADRO CC(C)CC[N@H+](C)C[C@H]1CC[C@H](C)O1 682756108 490170007 /nfs/dbraw/zinc/17/00/07/490170007.db2.gz YGSDLLDKSFAYGU-NWDGAFQWSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)CC[N@H+](C)C[C@@H]1CC[C@H](C)O1 682756109 490170015 /nfs/dbraw/zinc/17/00/15/490170015.db2.gz YGSDLLDKSFAYGU-RYUDHWBXSA-N 1 0 199.338 2.532 20 0 AFADRO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CC[C@@H](C)O1 682756284 490170051 /nfs/dbraw/zinc/17/00/51/490170051.db2.gz PSKSBAITCIXITP-IJLUTSLNSA-N 1 0 199.338 2.530 20 0 AFADRO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 682756286 490170079 /nfs/dbraw/zinc/17/00/79/490170079.db2.gz PSKSBAITCIXITP-WOPDTQHZSA-N 1 0 199.338 2.530 20 0 AFADRO CC(C)CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 682756106 490170088 /nfs/dbraw/zinc/17/00/88/490170088.db2.gz YGSDLLDKSFAYGU-NEPJUHHUSA-N 1 0 199.338 2.532 20 0 AFADRO CCC[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 682755807 490170099 /nfs/dbraw/zinc/17/00/99/490170099.db2.gz KLZACOQBZAPAQP-TUAOUCFPSA-N 1 0 199.338 2.674 20 0 AFADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C)O1 682756285 490170128 /nfs/dbraw/zinc/17/01/28/490170128.db2.gz PSKSBAITCIXITP-UTUOFQBUSA-N 1 0 199.338 2.530 20 0 AFADRO C[C@@H]1CC[C@H](C[N@H+](C)CC(C)(C)C)O1 682758441 490170917 /nfs/dbraw/zinc/17/09/17/490170917.db2.gz BPGUBVYEEDOMNC-GHMZBOCLSA-N 1 0 199.338 2.532 20 0 AFADRO CCCC[N@H+](CC)C[C@H]1CC[C@H](C)O1 682757298 490170980 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491031749 /nfs/dbraw/zinc/03/17/49/491031749.db2.gz NDINUGIFSUMDSQ-NSHDSACASA-N 1 0 181.323 2.955 20 0 AFADRO C[C@H]([NH2+]C[C@H]1CCCCS1)C1CC1 87683031 491031752 /nfs/dbraw/zinc/03/17/52/491031752.db2.gz SCXXYXGVGXCHFL-GXSJLCMTSA-N 1 0 199.363 2.660 20 0 AFADRO CCc1ccc([C@H](C)[NH2+]CCF)cc1 87689865 491031756 /nfs/dbraw/zinc/03/17/56/491031756.db2.gz JNCDFSCWSMXSMQ-JTQLQIEISA-N 1 0 195.281 2.869 20 0 AFADRO CC(C)C[NH2+]C[C@H]1CCCCS1 87679840 491031770 /nfs/dbraw/zinc/03/17/70/491031770.db2.gz ASVUEQLOGQMRSA-SNVBAGLBSA-N 1 0 187.352 2.518 20 0 AFADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCS1 87668155 491031777 /nfs/dbraw/zinc/03/17/77/491031777.db2.gz WDWNKGBDRUZCRL-UWVGGRQHSA-N 1 0 187.352 2.516 20 0 AFADRO CCCC1(C[NH2+][C@@H](CC)COC)CC1 130781044 491034297 /nfs/dbraw/zinc/03/42/97/491034297.db2.gz CKSBFJNEADOGQO-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CC(C)C[NH2+][C@H]1CCC(C)(C)C1 87769191 491031779 /nfs/dbraw/zinc/03/17/79/491031779.db2.gz WMCVWAHMTDMJMD-JTQLQIEISA-N 1 0 169.312 2.811 20 0 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87774956 491032053 /nfs/dbraw/zinc/03/20/53/491032053.db2.gz MJOSDIFNOLVIRM-UHFFFAOYSA-N 1 0 187.302 2.904 20 0 AFADRO CC(C)(C[NH2+]CCF)c1ccccc1 87774823 491032067 /nfs/dbraw/zinc/03/20/67/491032067.db2.gz KTXLQFCDLJMVJA-UHFFFAOYSA-N 1 0 195.281 2.523 20 0 AFADRO Cc1cc([C@@H](C)[NH2+]CCF)c(C)o1 87775011 491032072 /nfs/dbraw/zinc/03/20/72/491032072.db2.gz SUIWYROBVJREPQ-MRVPVSSYSA-N 1 0 185.242 2.517 20 0 AFADRO CC(C)CCC[C@@H](C)[NH2+]CCF 87774912 491032076 /nfs/dbraw/zinc/03/20/76/491032076.db2.gz GAWPYJZQFQFHDI-SNVBAGLBSA-N 1 0 175.291 2.760 20 0 AFADRO CC(C)c1ccc(C[NH2+]CCF)cc1 87775020 491032093 /nfs/dbraw/zinc/03/20/93/491032093.db2.gz RQJHAYDQCFECLU-UHFFFAOYSA-N 1 0 195.281 2.869 20 0 AFADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCF 87774904 491032103 /nfs/dbraw/zinc/03/21/03/491032103.db2.gz XOBPUIVWDPSMSX-NXEZZACHSA-N 1 0 173.275 2.514 20 0 AFADRO CC[C@@H]([NH2+]CCF)c1cccs1 87774953 491032104 /nfs/dbraw/zinc/03/21/04/491032104.db2.gz VWBMMBFSEXFAGI-MRVPVSSYSA-N 1 0 187.283 2.758 20 0 AFADRO 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C[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccco1 132940598 491037145 /nfs/dbraw/zinc/03/71/45/491037145.db2.gz PZEJGCRLYSOCEY-ZJUUUORDSA-N 1 0 193.290 2.976 20 0 AFADRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)C1CC1 132955080 491037146 /nfs/dbraw/zinc/03/71/46/491037146.db2.gz KTFBEICYLRSNHH-SKDRFNHKSA-N 1 0 181.323 2.811 20 0 AFADRO CC[C@@H](C)[N@H+](C)Cc1ccc(O)cc1 132398629 491036298 /nfs/dbraw/zinc/03/62/98/491036298.db2.gz FZPKHZYKUGJSTJ-SNVBAGLBSA-N 1 0 193.290 2.623 20 0 AFADRO CCC[NH2+]Cc1ncc(C(C)C)s1 132372681 491036300 /nfs/dbraw/zinc/03/63/00/491036300.db2.gz YHLMIMCFGAPQOR-UHFFFAOYSA-N 1 0 198.335 2.766 20 0 AFADRO CC(C)[C@@H](C)[NH2+]CCCC(F)(F)F 132338190 491036304 /nfs/dbraw/zinc/03/63/04/491036304.db2.gz ZRMQLXIXNOJJNR-MRVPVSSYSA-N 1 0 197.244 2.963 20 0 AFADRO COCCCC[NH2+][C@@H](C)CC1CCC1 132406206 491036312 /nfs/dbraw/zinc/03/63/12/491036312.db2.gz OVRVXVCIFUCGDC-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO COCCCC[NH2+][C@H](C)CC1CCC1 132406403 491036319 /nfs/dbraw/zinc/03/63/19/491036319.db2.gz OVRVXVCIFUCGDC-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC(C)[C@H](C)[NH2+]CCCC(F)(F)F 132338409 491036321 /nfs/dbraw/zinc/03/63/21/491036321.db2.gz ZRMQLXIXNOJJNR-QMMMGPOBSA-N 1 0 197.244 2.963 20 0 AFADRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)C1CC1 132955264 491037169 /nfs/dbraw/zinc/03/71/69/491037169.db2.gz KTFBEICYLRSNHH-BXKDBHETSA-N 1 0 181.323 2.811 20 0 AFADRO CC(C)c1cnc(C[NH2+]C2CC2)s1 132372875 491036350 /nfs/dbraw/zinc/03/63/50/491036350.db2.gz QZSREVRSULGQEB-UHFFFAOYSA-N 1 0 196.319 2.519 20 0 AFADRO CC(C)[NH2+]Cc1ncc(C(C)C)s1 132373076 491036358 /nfs/dbraw/zinc/03/63/58/491036358.db2.gz LAEYRMMWMFQNKW-UHFFFAOYSA-N 1 0 198.335 2.765 20 0 AFADRO CC[C@@H]([NH2+]Cc1ccoc1)C1CC1 132531762 491036363 /nfs/dbraw/zinc/03/63/63/491036363.db2.gz NOHSJYAMKOJRLF-LLVKDONJSA-N 1 0 179.263 2.558 20 0 AFADRO CC[C@H]([NH2+]C(C)C)c1c(C)noc1C 132943683 491037174 /nfs/dbraw/zinc/03/71/74/491037174.db2.gz MJVCENAVXQOWPY-JTQLQIEISA-N 1 0 196.294 2.741 20 0 AFADRO C[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccoc1 132959746 491037178 /nfs/dbraw/zinc/03/71/78/491037178.db2.gz RTDCUTINBLENKT-VHSXEESVSA-N 1 0 193.290 2.976 20 0 AFADRO COCC[C@@H](C)[NH2+][C@@H](C)CC1CCC1 133088896 491037183 /nfs/dbraw/zinc/03/71/83/491037183.db2.gz UWZIAKFAYAMZSU-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CCCCOCC[NH2+][C@@H](C)C1CCC1 133003286 491037190 /nfs/dbraw/zinc/03/71/90/491037190.db2.gz MZOFRNYCBULZGR-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H]([NH2+]Cc1ccoc1)C1CC1 132531503 491036444 /nfs/dbraw/zinc/03/64/44/491036444.db2.gz NOHSJYAMKOJRLF-NSHDSACASA-N 1 0 179.263 2.558 20 0 AFADRO CC[C@@H](C)[N@H+](C)Cc1cccc(O)c1 132519404 491036402 /nfs/dbraw/zinc/03/64/02/491036402.db2.gz KUCVYFKOEJDTNA-SNVBAGLBSA-N 1 0 193.290 2.623 20 0 AFADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCOC 132409269 491036405 /nfs/dbraw/zinc/03/64/05/491036405.db2.gz HSPOTHXHPLFMFR-NEPJUHHUSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@@H]1CCC[C@H]1[NH2+]CCCCOC 132409711 491036441 /nfs/dbraw/zinc/03/64/41/491036441.db2.gz HSPOTHXHPLFMFR-VXGBXAGGSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H](C)[N@H+](C)Cc1cccc(O)c1 132519650 491036458 /nfs/dbraw/zinc/03/64/58/491036458.db2.gz KUCVYFKOEJDTNA-JTQLQIEISA-N 1 0 193.290 2.623 20 0 AFADRO C[C@@H]([NH2+]Cc1ccoc1)C1CCC1 132523879 491036466 /nfs/dbraw/zinc/03/64/66/491036466.db2.gz DUGGHMZZLTZIHG-SECBINFHSA-N 1 0 179.263 2.558 20 0 AFADRO CCCCOCC[NH2+][C@H](C)C1CCC1 133003529 491037214 /nfs/dbraw/zinc/03/72/14/491037214.db2.gz MZOFRNYCBULZGR-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H]1CCC[C@H]1[NH2+]CCCCOC 132409919 491036489 /nfs/dbraw/zinc/03/64/89/491036489.db2.gz HSPOTHXHPLFMFR-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCCOC 132409491 491036490 /nfs/dbraw/zinc/03/64/90/491036490.db2.gz HSPOTHXHPLFMFR-RYUDHWBXSA-N 1 0 199.338 2.581 20 0 AFADRO C[C@H]([NH2+]Cc1ccoc1)C1CCC1 132523650 491036491 /nfs/dbraw/zinc/03/64/91/491036491.db2.gz DUGGHMZZLTZIHG-VIFPVBQESA-N 1 0 179.263 2.558 20 0 AFADRO 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Cc1ccccc1C[NH2+]CC1(C)CC1 224175543 491041540 /nfs/dbraw/zinc/04/15/40/491041540.db2.gz KVCYDRYGPJGJSD-UHFFFAOYSA-N 1 0 189.302 2.885 20 0 AFADRO CC1(C[NH2+]Cc2cccc(F)c2)CC1 224172401 491041550 /nfs/dbraw/zinc/04/15/50/491041550.db2.gz JHOHEXXWOIIVMZ-UHFFFAOYSA-N 1 0 193.265 2.715 20 0 AFADRO CC1CCC([NH2+]CC2(C)CC2)CC1 224176464 491041556 /nfs/dbraw/zinc/04/15/56/491041556.db2.gz SHWYEPRXIFGLRE-UHFFFAOYSA-N 1 0 181.323 2.955 20 0 AFADRO Cc1ccc(C[NH2+]CC2(C)CC2)cc1 224180868 491041569 /nfs/dbraw/zinc/04/15/69/491041569.db2.gz RJFQTIDIIHJCDT-UHFFFAOYSA-N 1 0 189.302 2.885 20 0 AFADRO CC1(C[NH2+]Cc2ccc(Cl)o2)CC1 224168805 491041577 /nfs/dbraw/zinc/04/15/77/491041577.db2.gz CXFYBADNYOIZRG-UHFFFAOYSA-N 1 0 199.681 2.823 20 0 AFADRO CCC(C)(C)C[NH2+]Cc1ccn(C)c1 224165637 491041583 /nfs/dbraw/zinc/04/15/83/491041583.db2.gz XAZNVADWPUKHGU-UHFFFAOYSA-N 1 0 194.322 2.551 20 0 AFADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ncc(C)o1 224108694 491041587 /nfs/dbraw/zinc/04/15/87/491041587.db2.gz CHAAGTGELWDYIQ-WCBMZHEXSA-N 1 0 196.294 2.507 20 0 AFADRO Cc1ccsc1C[NH2+]CC1(C)CC1 224176097 491041596 /nfs/dbraw/zinc/04/15/96/491041596.db2.gz WUOPEQSROGBEIA-UHFFFAOYSA-N 1 0 195.331 2.946 20 0 AFADRO CC1(C[NH2+]Cc2ccsc2)CC1 224181762 491041603 /nfs/dbraw/zinc/04/16/03/491041603.db2.gz WBEIHMTYJZODEG-UHFFFAOYSA-N 1 0 181.304 2.638 20 0 AFADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ncc(C)o1 224108641 491041610 /nfs/dbraw/zinc/04/16/10/491041610.db2.gz CHAAGTGELWDYIQ-PSASIEDQSA-N 1 0 196.294 2.507 20 0 AFADRO C[C@@H]([NH2+]CC1(C)CC1)c1ccncc1 224398698 491041618 /nfs/dbraw/zinc/04/16/18/491041618.db2.gz KHGXYZZZNHTMAR-SNVBAGLBSA-N 1 0 190.290 2.532 20 0 AFADRO CCC[C@H](C)[NH2+]C[C@H]1CCSC1 224275806 491041623 /nfs/dbraw/zinc/04/16/23/491041623.db2.gz WGHNATMTKSOYHC-VHSXEESVSA-N 1 0 187.352 2.518 20 0 AFADRO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCSC1 224426143 491041626 /nfs/dbraw/zinc/04/16/26/491041626.db2.gz MCERQNRXZOSYQH-ONGXEEELSA-N 1 0 199.363 2.518 20 0 AFADRO CCCCC[NH2+]C[C@@H]1CCSC1 224275057 491041630 /nfs/dbraw/zinc/04/16/30/491041630.db2.gz VPGRCTBROXXUGD-JTQLQIEISA-N 1 0 187.352 2.519 20 0 AFADRO C1CCC(C[NH2+]C[C@H]2CCSC2)C1 224314598 491041638 /nfs/dbraw/zinc/04/16/38/491041638.db2.gz NCXLYGCODSWJRV-LLVKDONJSA-N 1 0 199.363 2.519 20 0 AFADRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)C1CC1 228556277 491044466 /nfs/dbraw/zinc/04/44/66/491044466.db2.gz IBUMGMNUYOHYOG-GXSJLCMTSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 224189792 491041649 /nfs/dbraw/zinc/04/16/49/491041649.db2.gz VGJVACGKSUKETP-WDEREUQCSA-N 1 0 181.323 2.955 20 0 AFADRO CCC[C@H](C)[NH2+]C[C@@H]1CCSC1 224275728 491041651 /nfs/dbraw/zinc/04/16/51/491041651.db2.gz WGHNATMTKSOYHC-UWVGGRQHSA-N 1 0 187.352 2.518 20 0 AFADRO CCC(C)(C)[NH2+]C[C@@H]1CCSC1 224273379 491041654 /nfs/dbraw/zinc/04/16/54/491041654.db2.gz FFEQHPQQONYDPO-VIFPVBQESA-N 1 0 187.352 2.518 20 0 AFADRO CCCCC[NH2+]C[C@H]1CCSC1 224275106 491041658 /nfs/dbraw/zinc/04/16/58/491041658.db2.gz VPGRCTBROXXUGD-SNVBAGLBSA-N 1 0 187.352 2.519 20 0 AFADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 224421886 491041667 /nfs/dbraw/zinc/04/16/67/491041667.db2.gz DMLIUMPNELSGBY-OUAUKWLOSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@H]([NH2+]CC1(C)CC1)c1ccncc1 224398750 491041669 /nfs/dbraw/zinc/04/16/69/491041669.db2.gz KHGXYZZZNHTMAR-JTQLQIEISA-N 1 0 190.290 2.532 20 0 AFADRO C[C@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 224189914 491041672 /nfs/dbraw/zinc/04/16/72/491041672.db2.gz VGJVACGKSUKETP-QWRGUYRKSA-N 1 0 181.323 2.955 20 0 AFADRO C[C@H]([NH2+]CC1(C)CC1)c1cccnc1 224400524 491041682 /nfs/dbraw/zinc/04/16/82/491041682.db2.gz JDRDANYKFKEXCV-JTQLQIEISA-N 1 0 190.290 2.532 20 0 AFADRO CCC[C@@H](C)[NH2+]C[C@H]1CCSC1 224275760 491041687 /nfs/dbraw/zinc/04/16/87/491041687.db2.gz WGHNATMTKSOYHC-NXEZZACHSA-N 1 0 187.352 2.518 20 0 AFADRO CCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 224275672 491041696 /nfs/dbraw/zinc/04/16/96/491041696.db2.gz WGHNATMTKSOYHC-ZJUUUORDSA-N 1 0 187.352 2.518 20 0 AFADRO CCC(CC)[NH2+]C[C@H]1CCSC1 224273532 491041697 /nfs/dbraw/zinc/04/16/97/491041697.db2.gz LPBGGTMLRPIKBC-SECBINFHSA-N 1 0 187.352 2.518 20 0 AFADRO C1CCC(C[NH2+]C[C@@H]2CCSC2)C1 224314546 491041700 /nfs/dbraw/zinc/04/17/00/491041700.db2.gz NCXLYGCODSWJRV-NSHDSACASA-N 1 0 199.363 2.519 20 0 AFADRO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCSC1 224426191 491041701 /nfs/dbraw/zinc/04/17/01/491041701.db2.gz MCERQNRXZOSYQH-KOLCDFICSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 224189736 491041703 /nfs/dbraw/zinc/04/17/03/491041703.db2.gz VGJVACGKSUKETP-GHMZBOCLSA-N 1 0 181.323 2.955 20 0 AFADRO CCCC[N@H+](CCC)CC1CC1 224272698 491041708 /nfs/dbraw/zinc/04/17/08/491041708.db2.gz GTDPWANHVLFABV-UHFFFAOYSA-N 1 0 169.312 2.909 20 0 AFADRO C[C@@H]([NH2+]CC1(C)CC1)c1cccnc1 224400466 491041711 /nfs/dbraw/zinc/04/17/11/491041711.db2.gz JDRDANYKFKEXCV-SNVBAGLBSA-N 1 0 190.290 2.532 20 0 AFADRO C[C@@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 224189847 491041712 /nfs/dbraw/zinc/04/17/12/491041712.db2.gz VGJVACGKSUKETP-MNOVXSKESA-N 1 0 181.323 2.955 20 0 AFADRO CCC(C)(C)[NH2+]C[C@H]1CCSC1 224273432 491041713 /nfs/dbraw/zinc/04/17/13/491041713.db2.gz FFEQHPQQONYDPO-SECBINFHSA-N 1 0 187.352 2.518 20 0 AFADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCSC1 224426294 491041714 /nfs/dbraw/zinc/04/17/14/491041714.db2.gz MCERQNRXZOSYQH-MWLCHTKSSA-N 1 0 199.363 2.518 20 0 AFADRO CCC(CC)[NH2+]C[C@@H]1CCSC1 224273486 491041715 /nfs/dbraw/zinc/04/17/15/491041715.db2.gz LPBGGTMLRPIKBC-VIFPVBQESA-N 1 0 187.352 2.518 20 0 AFADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 224421798 491041720 /nfs/dbraw/zinc/04/17/20/491041720.db2.gz DMLIUMPNELSGBY-VWYCJHECSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCSC1 224426241 491041724 /nfs/dbraw/zinc/04/17/24/491041724.db2.gz MCERQNRXZOSYQH-GXSJLCMTSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H]([NH2+]C[C@@H]1CCSC1)C1CCC1 224475558 491041731 /nfs/dbraw/zinc/04/17/31/491041731.db2.gz MTJDRKOEMWDVLA-ZJUUUORDSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@H]([NH2+]C[C@@H]1CCSC1)C1CCC1 224475605 491041733 /nfs/dbraw/zinc/04/17/33/491041733.db2.gz MTJDRKOEMWDVLA-UWVGGRQHSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@H]([NH2+]C[C@H]1CCSC1)C1CCC1 224475695 491041757 /nfs/dbraw/zinc/04/17/57/491041757.db2.gz MTJDRKOEMWDVLA-VHSXEESVSA-N 1 0 199.363 2.518 20 0 AFADRO C[C@@H]([NH2+]C[C@H]1CCSC1)C1CCC1 224475657 491041814 /nfs/dbraw/zinc/04/18/14/491041814.db2.gz MTJDRKOEMWDVLA-NXEZZACHSA-N 1 0 199.363 2.518 20 0 AFADRO CCC[C@H](CC)[NH2+]CC(C)(C)OC 224719197 491041836 /nfs/dbraw/zinc/04/18/36/491041836.db2.gz SDOVRUYFJIAUFH-JTQLQIEISA-N 1 0 187.327 2.580 20 0 AFADRO CC[C@H]([NH2+]C[C@@H]1CCSC1)C1CC1 228556285 491044526 /nfs/dbraw/zinc/04/45/26/491044526.db2.gz IBUMGMNUYOHYOG-ONGXEEELSA-N 1 0 199.363 2.518 20 0 AFADRO CC[C@H]([NH2+]C[C@H]1CCSC1)C1CC1 228556299 491044527 /nfs/dbraw/zinc/04/45/27/491044527.db2.gz IBUMGMNUYOHYOG-KOLCDFICSA-N 1 0 199.363 2.518 20 0 AFADRO CCC[C@@H](CC)[NH2+]CC(C)(C)OC 224719155 491041862 /nfs/dbraw/zinc/04/18/62/491041862.db2.gz SDOVRUYFJIAUFH-SNVBAGLBSA-N 1 0 187.327 2.580 20 0 AFADRO CCC[C@@H](CC)[NH2+]C1CC=CC1 224718968 491041884 /nfs/dbraw/zinc/04/18/84/491041884.db2.gz JTQASAIFUCGGJP-SNVBAGLBSA-N 1 0 167.296 2.873 20 0 AFADRO CCC(CC)[NH2+][C@H]1C[C@@H](OC)C1(C)C 224533052 491041885 /nfs/dbraw/zinc/04/18/85/491041885.db2.gz DYLPCXISTUDHCU-WDEREUQCSA-N 1 0 199.338 2.578 20 0 AFADRO CCC(CC)[NH2+][C@@H]1C[C@@H](OC)C1(C)C 224533005 491041890 /nfs/dbraw/zinc/04/18/90/491041890.db2.gz DYLPCXISTUDHCU-GHMZBOCLSA-N 1 0 199.338 2.578 20 0 AFADRO CCC[C@H](CC)[NH2+]C1CC=CC1 224719016 491041903 /nfs/dbraw/zinc/04/19/03/491041903.db2.gz JTQASAIFUCGGJP-JTQLQIEISA-N 1 0 167.296 2.873 20 0 AFADRO CCC(CC)[NH2+][C@@H]1C[C@H](OC)C1(C)C 224533103 491041905 /nfs/dbraw/zinc/04/19/05/491041905.db2.gz DYLPCXISTUDHCU-MNOVXSKESA-N 1 0 199.338 2.578 20 0 AFADRO CC[C@H]1CCC[C@@H]1[NH2+][C@H](CC)COC 224561553 491041928 /nfs/dbraw/zinc/04/19/28/491041928.db2.gz HQELMBCGPYLMFP-TUAOUCFPSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H]1CCC[C@H]1[NH2+][C@H](CC)COC 224561512 491041929 /nfs/dbraw/zinc/04/19/29/491041929.db2.gz HQELMBCGPYLMFP-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@H](CC)[NH2+]C1CC(C)C1 224738980 491041938 /nfs/dbraw/zinc/04/19/38/491041938.db2.gz FWQYWYWJJBBVFD-YVNMAJEFSA-N 1 0 169.312 2.953 20 0 AFADRO CCC[N@H+](CC)C[C@H](C)CC 224801005 491041939 /nfs/dbraw/zinc/04/19/39/491041939.db2.gz MFNWFDWDAQEYRU-SNVBAGLBSA-N 1 0 157.301 2.764 20 0 AFADRO CC[C@@H]([NH2+]C[C@H]1CCSC1)C1CC1 228556291 491044554 /nfs/dbraw/zinc/04/45/54/491044554.db2.gz IBUMGMNUYOHYOG-MWLCHTKSSA-N 1 0 199.363 2.518 20 0 AFADRO CCC[C@H](CC)[NH2+]CC1(C)CC1 224740758 491042013 /nfs/dbraw/zinc/04/20/13/491042013.db2.gz IMKNJQQKXRBZGE-JTQLQIEISA-N 1 0 169.312 2.955 20 0 AFADRO CC(C)C[NH+]1CCC2(CC1)CC2 224987937 491042020 /nfs/dbraw/zinc/04/20/20/491042020.db2.gz BZTKJJHTZJJOOG-UHFFFAOYSA-N 1 0 167.296 2.518 20 0 AFADRO CCC[C@@H](CC)[NH2+]CC1(C)CC1 224740706 491042035 /nfs/dbraw/zinc/04/20/35/491042035.db2.gz IMKNJQQKXRBZGE-SNVBAGLBSA-N 1 0 169.312 2.955 20 0 AFADRO CCC[N@H+](CC)C[C@@H](C)CC 224800962 491042046 /nfs/dbraw/zinc/04/20/46/491042046.db2.gz MFNWFDWDAQEYRU-JTQLQIEISA-N 1 0 157.301 2.764 20 0 AFADRO CC1(C[NH2+]CC2CCCC2)CC1 224899009 491042049 /nfs/dbraw/zinc/04/20/49/491042049.db2.gz ZMKDITUIJYFWFN-UHFFFAOYSA-N 1 0 167.296 2.566 20 0 AFADRO CCC[C@@H](CC)[NH2+]C1CC(C)C1 224738933 491042056 /nfs/dbraw/zinc/04/20/56/491042056.db2.gz FWQYWYWJJBBVFD-HSOILSAZSA-N 1 0 169.312 2.953 20 0 AFADRO CC[C@H](C)[N@@H+]1CCSC(C)(C)C1 225257007 491042117 /nfs/dbraw/zinc/04/21/17/491042117.db2.gz NQJANDZWLLFOLY-VIFPVBQESA-N 1 0 187.352 2.612 20 0 AFADRO CC[C@@H](C)[N@@H+]1CCSC(C)(C)C1 225256428 491042161 /nfs/dbraw/zinc/04/21/61/491042161.db2.gz NQJANDZWLLFOLY-SECBINFHSA-N 1 0 187.352 2.612 20 0 AFADRO CCC(C)(C)C[NH2+][C@H]1CCSC1 225516470 491042250 /nfs/dbraw/zinc/04/22/50/491042250.db2.gz GVQYPEMANVHGQX-VIFPVBQESA-N 1 0 187.352 2.518 20 0 AFADRO CCC(C)(C)C[NH2+][C@@H]1CCSC1 225516434 491042272 /nfs/dbraw/zinc/04/22/72/491042272.db2.gz GVQYPEMANVHGQX-SECBINFHSA-N 1 0 187.352 2.518 20 0 AFADRO CCC(CC)C[NH2+][C@]1(C)CCCOC1 225932462 491042330 /nfs/dbraw/zinc/04/23/30/491042330.db2.gz MRMKFIIONLQIJA-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO CCC(CC)C[NH2+][C@@]1(C)CCCOC1 225932447 491042346 /nfs/dbraw/zinc/04/23/46/491042346.db2.gz MRMKFIIONLQIJA-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@@H](C)[N@@H+]1CCC(C)(C)C1 226093063 491042404 /nfs/dbraw/zinc/04/24/04/491042404.db2.gz KNMXVHIALFAYLY-SNVBAGLBSA-N 1 0 169.312 2.907 20 0 AFADRO CCCC[N@@H+]1CC[C@@](C)(CC)C1 226118363 491042443 /nfs/dbraw/zinc/04/24/43/491042443.db2.gz FCNZZIXHZMILES-LLVKDONJSA-N 1 0 169.312 2.909 20 0 AFADRO CCC[C@H](C)[N@@H+]1CCC(C)(C)C1 226093070 491042447 /nfs/dbraw/zinc/04/24/47/491042447.db2.gz KNMXVHIALFAYLY-JTQLQIEISA-N 1 0 169.312 2.907 20 0 AFADRO CCCC[N@@H+]1CC[C@](C)(CC)C1 226118375 491042472 /nfs/dbraw/zinc/04/24/72/491042472.db2.gz FCNZZIXHZMILES-NSHDSACASA-N 1 0 169.312 2.909 20 0 AFADRO CC1(C)C[C@H]1C[NH2+]C[C@H]1CC=CCC1 228685324 491044720 /nfs/dbraw/zinc/04/47/20/491044720.db2.gz WBRAVUYGQRYQBJ-RYUDHWBXSA-N 1 0 193.334 2.978 20 0 AFADRO CC1(C[NH2+]C[C@H]2CC=CCC2)CC1 228690752 491044721 /nfs/dbraw/zinc/04/47/21/491044721.db2.gz NUBSCIKYDQNYAQ-NSHDSACASA-N 1 0 179.307 2.732 20 0 AFADRO CCCC[N@H+](C)CCC(C)C 226296919 491042605 /nfs/dbraw/zinc/04/26/05/491042605.db2.gz IFJKNWCKJDWDAQ-UHFFFAOYSA-N 1 0 157.301 2.764 20 0 AFADRO C[C@H]1CCC[C@@H]1[NH2+][C@H](C)CC1CC1 226368579 491042689 /nfs/dbraw/zinc/04/26/89/491042689.db2.gz AEBOHEWXZCRTTG-UMNHJUIQSA-N 1 0 181.323 2.953 20 0 AFADRO CCC(CC)C[NH2+]CC1(C)CC1 228690729 491044739 /nfs/dbraw/zinc/04/47/39/491044739.db2.gz LDDNOJFRYAELEW-UHFFFAOYSA-N 1 0 169.312 2.812 20 0 AFADRO C[C@H]1CCC[C@H]1[NH2+][C@H](C)CC1CC1 226368571 491042706 /nfs/dbraw/zinc/04/27/06/491042706.db2.gz AEBOHEWXZCRTTG-HOSYDEDBSA-N 1 0 181.323 2.953 20 0 AFADRO CC1(C[NH2+]CCc2cccs2)CC1 226372792 491042722 /nfs/dbraw/zinc/04/27/22/491042722.db2.gz JYJHJDVEOYSTBF-UHFFFAOYSA-N 1 0 195.331 2.680 20 0 AFADRO CCC[N@@H+]1CCCC[C@@H](C)C1 226370857 491042728 /nfs/dbraw/zinc/04/27/28/491042728.db2.gz RNHAGHBMWRTVLR-SNVBAGLBSA-N 1 0 155.285 2.518 20 0 AFADRO CCCCC[NH2+]CC1(C)CC1 226372608 491042750 /nfs/dbraw/zinc/04/27/50/491042750.db2.gz IOXASADTPARHDU-UHFFFAOYSA-N 1 0 155.285 2.566 20 0 AFADRO CC1(C[NH2+]C[C@@H]2CC=CCC2)CC1 228690743 491044745 /nfs/dbraw/zinc/04/47/45/491044745.db2.gz NUBSCIKYDQNYAQ-LLVKDONJSA-N 1 0 179.307 2.732 20 0 AFADRO CC1(C)C[C@@H]1C[NH2+]C[C@H]1CC=CCC1 228685312 491044746 /nfs/dbraw/zinc/04/47/46/491044746.db2.gz WBRAVUYGQRYQBJ-NWDGAFQWSA-N 1 0 193.334 2.978 20 0 AFADRO CC(C)([NH2+]C[C@H]1CCSC1)C1CC1 226382800 491042804 /nfs/dbraw/zinc/04/28/04/491042804.db2.gz AHFIIRIGQNXPKH-SECBINFHSA-N 1 0 199.363 2.518 20 0 AFADRO CCC1(C[NH2+]C[C@H]2CCSC2)CC1 226384153 491042809 /nfs/dbraw/zinc/04/28/09/491042809.db2.gz TZTXWEZDYRNTSD-SNVBAGLBSA-N 1 0 199.363 2.519 20 0 AFADRO CC1(C[NH2+]CCCC(F)(F)F)CC1 226383775 491042830 /nfs/dbraw/zinc/04/28/30/491042830.db2.gz TVQSFEWBKPDOEI-UHFFFAOYSA-N 1 0 195.228 2.719 20 0 AFADRO CCC1(C[NH2+]C[C@@H]2CCSC2)CC1 226384150 491042834 /nfs/dbraw/zinc/04/28/34/491042834.db2.gz TZTXWEZDYRNTSD-JTQLQIEISA-N 1 0 199.363 2.519 20 0 AFADRO CC(C)([NH2+]C[C@@H]1CCSC1)C1CC1 226382796 491042874 /nfs/dbraw/zinc/04/28/74/491042874.db2.gz AHFIIRIGQNXPKH-VIFPVBQESA-N 1 0 199.363 2.518 20 0 AFADRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCCC1 226579161 491042881 /nfs/dbraw/zinc/04/28/81/491042881.db2.gz SQTPFYUSEZHSTF-WDEREUQCSA-N 1 0 181.323 2.955 20 0 AFADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(C)C)C1 226541130 491042890 /nfs/dbraw/zinc/04/28/90/491042890.db2.gz OFPAUNHBOJZBBR-SDDRHHMPSA-N 1 0 199.338 2.578 20 0 AFADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(C)C)C1 226541122 491042893 /nfs/dbraw/zinc/04/28/93/491042893.db2.gz OFPAUNHBOJZBBR-QJPTWQEYSA-N 1 0 199.338 2.578 20 0 AFADRO CC1(C)C[C@H]1C[NH2+]C[C@@H]1CC=CCC1 228685301 491044766 /nfs/dbraw/zinc/04/47/66/491044766.db2.gz 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CTQJWQCHTVJVPJ-NSHDSACASA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H](C)[NH2+][C@@H](C)c1cncc(C)c1 308573091 491112312 /nfs/dbraw/zinc/11/23/12/491112312.db2.gz CQZLPOALSZDCMM-MNOVXSKESA-N 1 0 192.306 2.839 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)c1cncc(C)c1 308573092 491112318 /nfs/dbraw/zinc/11/23/18/491112318.db2.gz CQZLPOALSZDCMM-QWRGUYRKSA-N 1 0 192.306 2.839 20 0 AFADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CCC1CC1 308576407 491112324 /nfs/dbraw/zinc/11/23/24/491112324.db2.gz DOIXNQBSBFEEGI-AXFHLTTASA-N 1 0 199.338 2.578 20 0 AFADRO CCC[NH2+][C@@H](CC)c1c(C)noc1C 308573458 491112350 /nfs/dbraw/zinc/11/23/50/491112350.db2.gz CSKCKDMEPASRNN-JTQLQIEISA-N 1 0 196.294 2.742 20 0 AFADRO CCCC[C@H](CC)[NH2+]C1(COC)CC1 308575689 491112356 /nfs/dbraw/zinc/11/23/56/491112356.db2.gz DIGGEDZNVAEHOG-NSHDSACASA-N 1 0 199.338 2.724 20 0 AFADRO CC[C@@H](C)[NH2+][C@H](C)c1cncc(C)c1 308573090 491112378 /nfs/dbraw/zinc/11/23/78/491112378.db2.gz CQZLPOALSZDCMM-GHMZBOCLSA-N 1 0 192.306 2.839 20 0 AFADRO CCCC[C@@H](CC)[NH2+]C1(COC)CC1 308575687 491112385 /nfs/dbraw/zinc/11/23/85/491112385.db2.gz DIGGEDZNVAEHOG-LLVKDONJSA-N 1 0 199.338 2.724 20 0 AFADRO CCCC[NH2+][C@@H](CC)C1CCOCC1 308577845 491112457 /nfs/dbraw/zinc/11/24/57/491112457.db2.gz FFERMURGKNAVST-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H](C[NH2+][C@H]1CCCC1(C)C)OC 308577021 491112459 /nfs/dbraw/zinc/11/24/59/491112459.db2.gz NCYCKUZXOCQDJG-MNOVXSKESA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@@H]([NH2+]CCF)c1ccc(F)cc1 308578699 491112552 /nfs/dbraw/zinc/11/25/52/491112552.db2.gz FQIDEFQXXCJCDO-LLVKDONJSA-N 1 0 199.244 2.836 20 0 AFADRO CC[C@@H](C[NH2+][C@H]1CCCC1(C)C)OC 308577022 491112555 /nfs/dbraw/zinc/11/25/55/491112555.db2.gz NCYCKUZXOCQDJG-QWRGUYRKSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C[NH2+][C@@H]1CCCC1(C)C)OC 308577020 491112556 /nfs/dbraw/zinc/11/25/56/491112556.db2.gz NCYCKUZXOCQDJG-GHMZBOCLSA-N 1 0 199.338 2.580 20 0 AFADRO CCCC[NH2+][C@H](CC)C1CCOCC1 308577843 491112592 /nfs/dbraw/zinc/11/25/92/491112592.db2.gz FFERMURGKNAVST-GFCCVEGCSA-N 1 0 199.338 2.581 20 0 AFADRO Cc1ccc(C)c([C@@H](C)[NH2+]CCF)c1 308577678 491112593 /nfs/dbraw/zinc/11/25/93/491112593.db2.gz IIJFUUWCNKKLSY-LLVKDONJSA-N 1 0 195.281 2.924 20 0 AFADRO CC[C@@H](C[NH2+][C@@H]1CCCC1(C)C)OC 308577023 491112596 /nfs/dbraw/zinc/11/25/96/491112596.db2.gz NCYCKUZXOCQDJG-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO Cc1ccc(C)c([C@H](C)[NH2+]CCF)c1 308577679 491112608 /nfs/dbraw/zinc/11/26/08/491112608.db2.gz IIJFUUWCNKKLSY-NSHDSACASA-N 1 0 195.281 2.924 20 0 AFADRO CCC(CC)[NH2+]C[C@H]1CCC[C@H]1OC 308580425 491112667 /nfs/dbraw/zinc/11/26/67/491112667.db2.gz GHJLWHUSPNFZJY-ZYHUDNBSSA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)[C@@H]([NH2+]CCF)c1ccccc1 308581495 491112669 /nfs/dbraw/zinc/11/26/69/491112669.db2.gz JZQBHTPDBWCYAQ-GFCCVEGCSA-N 1 0 195.281 2.943 20 0 AFADRO CCC[NH2+][C@H]1CCCO[C@@H]1CC(C)C 308630356 491115025 /nfs/dbraw/zinc/11/50/25/491115025.db2.gz YQURKEGKOROZRX-NWDGAFQWSA-N 1 0 199.338 2.580 20 0 AFADRO CCC(CC)[NH2+]C[C@H]1CCC[C@@H]1OC 308580424 491112696 /nfs/dbraw/zinc/11/26/96/491112696.db2.gz GHJLWHUSPNFZJY-PWSUYJOCSA-N 1 0 199.338 2.580 20 0 AFADRO CC(C)[C@H]([NH2+]CCF)c1ccccc1 308581496 491112713 /nfs/dbraw/zinc/11/27/13/491112713.db2.gz JZQBHTPDBWCYAQ-LBPRGKRZSA-N 1 0 195.281 2.943 20 0 AFADRO C[C@H](C[NH2+][C@H](C)CF)c1ccccc1 308582411 491112719 /nfs/dbraw/zinc/11/27/19/491112719.db2.gz PZSZRNCBZFZFKP-GHMZBOCLSA-N 1 0 195.281 2.738 20 0 AFADRO CCC(CC)[NH2+]C[C@@H]1CCC[C@H]1OC 308580156 491112721 /nfs/dbraw/zinc/11/27/21/491112721.db2.gz GHJLWHUSPNFZJY-CMPLNLGQSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)OC 308580329 491112730 /nfs/dbraw/zinc/11/27/30/491112730.db2.gz OVRKFBSPVQONRD-IJLUTSLNSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)OC 308580328 491112741 /nfs/dbraw/zinc/11/27/41/491112741.db2.gz OVRKFBSPVQONRD-GRYCIOLGSA-N 1 0 199.338 2.580 20 0 AFADRO CCC(CC)[NH2+]C[C@@H]1CCC[C@@H]1OC 308580423 491112751 /nfs/dbraw/zinc/11/27/51/491112751.db2.gz GHJLWHUSPNFZJY-JQWIXIFHSA-N 1 0 199.338 2.580 20 0 AFADRO C[C@H](CF)[NH2+]C[C@H](C)c1ccccc1 308582414 491112769 /nfs/dbraw/zinc/11/27/69/491112769.db2.gz PZSZRNCBZFZFKP-WDEREUQCSA-N 1 0 195.281 2.738 20 0 AFADRO CC[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)OC 308580331 491112782 /nfs/dbraw/zinc/11/27/82/491112782.db2.gz OVRKFBSPVQONRD-SDDRHHMPSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)OC 308580330 491112786 /nfs/dbraw/zinc/11/27/86/491112786.db2.gz OVRKFBSPVQONRD-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCOC 308584901 491112877 /nfs/dbraw/zinc/11/28/77/491112877.db2.gz HXSFYJNHMPGISE-VXGBXAGGSA-N 1 0 199.338 2.581 20 0 AFADRO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1C 308584312 491112900 /nfs/dbraw/zinc/11/29/00/491112900.db2.gz HSVSICTXKHOFOJ-IJLUTSLNSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1C 308584324 491112926 /nfs/dbraw/zinc/11/29/26/491112926.db2.gz HSVSICTXKHOFOJ-TUAOUCFPSA-N 1 0 199.338 2.580 20 0 AFADRO COCCCC[NH2+][C@@H](C)CCC1CC1 308622244 491114575 /nfs/dbraw/zinc/11/45/75/491114575.db2.gz UNMKULDORGXNQK-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCOC 308584898 491112961 /nfs/dbraw/zinc/11/29/61/491112961.db2.gz HXSFYJNHMPGISE-NEPJUHHUSA-N 1 0 199.338 2.581 20 0 AFADRO CO[C@@H](C)CC[NH2+]CC1CCCCC1 308583364 491112963 /nfs/dbraw/zinc/11/29/63/491112963.db2.gz HNHMHNQCHCUVEC-NSHDSACASA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@H]1CCCC[C@H]1[NH2+]CCOC 308584899 491112984 /nfs/dbraw/zinc/11/29/84/491112984.db2.gz HXSFYJNHMPGISE-NWDGAFQWSA-N 1 0 199.338 2.581 20 0 AFADRO Cc1ccc(C[NH2+][C@H](C)CF)cc1C 308584141 491112985 /nfs/dbraw/zinc/11/29/85/491112985.db2.gz QWZOIFYAZVDDSP-LLVKDONJSA-N 1 0 195.281 2.751 20 0 AFADRO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@H]1C 308584331 491112995 /nfs/dbraw/zinc/11/29/95/491112995.db2.gz HSVSICTXKHOFOJ-UTUOFQBUSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@H](C)CC[NH2+]CC1CCCCC1 308583362 491113000 /nfs/dbraw/zinc/11/30/00/491113000.db2.gz HNHMHNQCHCUVEC-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCOC 308584900 491113008 /nfs/dbraw/zinc/11/30/08/491113008.db2.gz HXSFYJNHMPGISE-RYUDHWBXSA-N 1 0 199.338 2.581 20 0 AFADRO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1C 308584318 491113009 /nfs/dbraw/zinc/11/30/09/491113009.db2.gz HSVSICTXKHOFOJ-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO CCCCC[NH2+][C@@H](CC)[C@H]1CCCO1 308586263 491113039 /nfs/dbraw/zinc/11/30/39/491113039.db2.gz IMRCKWQLAMSSNM-NWDGAFQWSA-N 1 0 199.338 2.724 20 0 AFADRO CCCCC[NH2+][C@H](CC)[C@H]1CCCO1 308586265 491113074 /nfs/dbraw/zinc/11/30/74/491113074.db2.gz IMRCKWQLAMSSNM-VXGBXAGGSA-N 1 0 199.338 2.724 20 0 AFADRO CCOCCCC[NH2+][C@@H](CC)C1CC1 308587241 491113098 /nfs/dbraw/zinc/11/30/98/491113098.db2.gz IVSRMKPQQUGZCV-LBPRGKRZSA-N 1 0 199.338 2.581 20 0 AFADRO CCC[C@H](C)[NH2+]C1CC(OC(C)C)C1 308587901 491113099 /nfs/dbraw/zinc/11/30/99/491113099.db2.gz 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308590604 491113222 /nfs/dbraw/zinc/11/32/22/491113222.db2.gz VCZZGQJRIVGPNZ-UTUOFQBUSA-N 1 0 199.338 2.580 20 0 AFADRO COCCCC[NH2+][C@H](C)CCC1CC1 308622242 491114639 /nfs/dbraw/zinc/11/46/39/491114639.db2.gz UNMKULDORGXNQK-LLVKDONJSA-N 1 0 199.338 2.581 20 0 AFADRO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)OC 308590603 491113319 /nfs/dbraw/zinc/11/33/19/491113319.db2.gz VCZZGQJRIVGPNZ-TUAOUCFPSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)OC 308590601 491113341 /nfs/dbraw/zinc/11/33/41/491113341.db2.gz VCZZGQJRIVGPNZ-IJLUTSLNSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)OC 308590602 491113365 /nfs/dbraw/zinc/11/33/65/491113365.db2.gz VCZZGQJRIVGPNZ-QJPTWQEYSA-N 1 0 199.338 2.580 20 0 AFADRO CC[C@H](C)[NH2+][C@@H](C)c1cnccc1C 308594718 491113449 /nfs/dbraw/zinc/11/34/49/491113449.db2.gz MASFNUPGLHIUDV-QWRGUYRKSA-N 1 0 192.306 2.839 20 0 AFADRO CCC(CC)[NH2+]CCC1CCOCC1 308594036 491113454 /nfs/dbraw/zinc/11/34/54/491113454.db2.gz 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199.338 2.580 20 0 AFADRO CC[C@@H](C[NH2+][C@H](C)CCC1CC1)OC 308603371 491113928 /nfs/dbraw/zinc/11/39/28/491113928.db2.gz OYBBMAYUTLPHPS-PWSUYJOCSA-N 1 0 199.338 2.580 20 0 AFADRO CCCc1ccc(C[NH2+]CCF)cc1 308602810 491113974 /nfs/dbraw/zinc/11/39/74/491113974.db2.gz OSSGXRAIMIORTF-UHFFFAOYSA-N 1 0 195.281 2.698 20 0 AFADRO CC[C@@H](C[NH2+][C@@H](C)CCC1CC1)OC 308603369 491114015 /nfs/dbraw/zinc/11/40/15/491114015.db2.gz OYBBMAYUTLPHPS-JQWIXIFHSA-N 1 0 199.338 2.580 20 0 AFADRO CC/C=C\CC[NH2+][C@H](COC)C(C)C 308601803 491114046 /nfs/dbraw/zinc/11/40/46/491114046.db2.gz OLTNSKYQDDRMJS-ZHRWSRJISA-N 1 0 199.338 2.603 20 0 AFADRO CC[C@H](C[NH2+][C@H](C)CCC1CC1)OC 308603373 491114057 /nfs/dbraw/zinc/11/40/57/491114057.db2.gz OYBBMAYUTLPHPS-ZYHUDNBSSA-N 1 0 199.338 2.580 20 0 AFADRO CCOC[C@@H](C)[NH2+][C@@H](C)CCC1CC1 308624065 491114779 /nfs/dbraw/zinc/11/47/79/491114779.db2.gz VFNOSMXMQBFDHR-WDEREUQCSA-N 1 0 199.338 2.580 20 0 AFADRO CO[C@@H](C)CC[NH2+][C@@H]1CCCC1(C)C 308606393 491114158 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199.313 2.903 20 0 AFADRO C[C@H](CCC1CC1)[NH2+]Cc1ccco1 308650488 491116000 /nfs/dbraw/zinc/11/60/00/491116000.db2.gz KDHIHEKHGZVOII-SNVBAGLBSA-N 1 0 193.290 2.948 20 0 AFADRO C[C@H](CF)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 308650953 491116011 /nfs/dbraw/zinc/11/60/11/491116011.db2.gz KKYHHGHWPSCFPL-YUSALJHKSA-N 1 0 199.313 2.903 20 0 AFADRO C[C@@H](CCC1CC1)[NH2+]Cc1ccco1 308650487 491116029 /nfs/dbraw/zinc/11/60/29/491116029.db2.gz KDHIHEKHGZVOII-JTQLQIEISA-N 1 0 193.290 2.948 20 0 AFADRO C[C@H](CF)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 308650951 491116053 /nfs/dbraw/zinc/11/60/53/491116053.db2.gz KKYHHGHWPSCFPL-JLLWLGSASA-N 1 0 199.313 2.903 20 0 AFADRO C[C@H]1C[C@H]1C[NH2+]CC12CCC(CC1)C2 308651978 491116172 /nfs/dbraw/zinc/11/61/72/491116172.db2.gz LDYGELNYQGEDHH-QCXCNERSSA-N 1 0 193.334 2.812 20 0 AFADRO C[C@H]1C[C@@H]1C[NH2+]CC12CCC(CC1)C2 308651976 491116192 /nfs/dbraw/zinc/11/61/92/491116192.db2.gz LDYGELNYQGEDHH-GMKTYKIGSA-N 1 0 193.334 2.812 20 0 AFADRO C[C@@H]1C[C@@H]1C[NH2+]CC12CCC(CC1)C2 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