smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2oc1C[NH+]1CCC([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019566354 202010929 /nfs/dbraw/zinc/01/09/29/202010929.db2.gz LNSPZYYYAOQBNM-HZPDHXFCSA-N 2 2 342.483 3.815 40 0 EHABLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484365 564051294 /nfs/dbraw/zinc/05/12/94/564051294.db2.gz KGEIHHUWMJPNNI-ZTFGCOKTSA-N 3 2 342.462 3.597 40 0 EHABLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484365 564051295 /nfs/dbraw/zinc/05/12/95/564051295.db2.gz KGEIHHUWMJPNNI-ZTFGCOKTSA-N 3 2 342.462 3.597 40 0 EHABLP c1csc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)c1 ZINC000306139513 564062307 /nfs/dbraw/zinc/06/23/07/564062307.db2.gz SZFJIVDQMYWURB-IAGOWNOFSA-N 2 2 335.476 3.916 40 0 EHABLP c1csc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)c1 ZINC000306139513 564062308 /nfs/dbraw/zinc/06/23/08/564062308.db2.gz SZFJIVDQMYWURB-IAGOWNOFSA-N 2 2 335.476 3.916 40 0 EHABLP c1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046942 563978024 /nfs/dbraw/zinc/97/80/24/563978024.db2.gz OGFPZOMLLGDHGQ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046942 563978025 /nfs/dbraw/zinc/97/80/25/563978025.db2.gz OGFPZOMLLGDHGQ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096046942 563978026 /nfs/dbraw/zinc/97/80/26/563978026.db2.gz OGFPZOMLLGDHGQ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096046942 563978027 /nfs/dbraw/zinc/97/80/27/563978027.db2.gz OGFPZOMLLGDHGQ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138285 564062286 /nfs/dbraw/zinc/06/22/86/564062286.db2.gz RUEIFCZMGVIEFB-ROUUACIJSA-N 2 2 335.476 3.916 40 0 EHABLP c1cc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138285 564062287 /nfs/dbraw/zinc/06/22/87/564062287.db2.gz RUEIFCZMGVIEFB-ROUUACIJSA-N 2 2 335.476 3.916 40 0 EHABLP CCc1[nH+]c2cc(NC(=O)CCCn3cc[nH+]c3C)ccc2n1CC ZINC000019523206 202010436 /nfs/dbraw/zinc/01/04/36/202010436.db2.gz QBGVUKXWFFUYDC-UHFFFAOYSA-N 2 2 339.443 3.542 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355514 203204315 /nfs/dbraw/zinc/20/43/15/203204315.db2.gz VFQCJRQDTKIZSR-MRXNPFEDSA-N 2 2 339.487 3.908 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355514 203204319 /nfs/dbraw/zinc/20/43/19/203204319.db2.gz VFQCJRQDTKIZSR-MRXNPFEDSA-N 2 2 339.487 3.908 40 0 EHABLP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)o1 ZINC000096049314 563978393 /nfs/dbraw/zinc/97/83/93/563978393.db2.gz HISUEOSSMCDORN-UHFFFAOYSA-N 2 2 325.456 3.614 40 0 EHABLP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)o1 ZINC000096049314 563978394 /nfs/dbraw/zinc/97/83/94/563978394.db2.gz HISUEOSSMCDORN-UHFFFAOYSA-N 2 2 325.456 3.614 40 0 EHABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257219672 244176218 /nfs/dbraw/zinc/17/62/18/244176218.db2.gz DHPZTYCIJVIUAO-ZDUSSCGKSA-N 2 2 327.457 3.549 40 0 EHABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257219672 244176226 /nfs/dbraw/zinc/17/62/26/244176226.db2.gz DHPZTYCIJVIUAO-ZDUSSCGKSA-N 2 2 327.457 3.549 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378717 203210426 /nfs/dbraw/zinc/21/04/26/203210426.db2.gz AYVKWYZDERTBTK-QGZVFWFLSA-N 2 2 325.460 3.694 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378717 203210430 /nfs/dbraw/zinc/21/04/30/203210430.db2.gz AYVKWYZDERTBTK-QGZVFWFLSA-N 2 2 325.460 3.694 40 0 EHABLP COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378684 203210501 /nfs/dbraw/zinc/21/05/01/203210501.db2.gz MVODCBVWAMWISG-SFHVURJKSA-N 2 2 348.450 3.656 40 0 EHABLP COc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378684 203210504 /nfs/dbraw/zinc/21/05/04/203210504.db2.gz MVODCBVWAMWISG-SFHVURJKSA-N 2 2 348.450 3.656 40 0 EHABLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000008373878 563627876 /nfs/dbraw/zinc/62/78/76/563627876.db2.gz ORLBIJIONZCIOC-UHFFFAOYSA-N 2 2 337.261 3.750 40 0 EHABLP Cc1ccc(CN(Cc2c[nH+]c[nH]2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116742 563653974 /nfs/dbraw/zinc/65/39/74/563653974.db2.gz MJUOWHFFHDWKFN-UHFFFAOYSA-N 2 2 330.476 3.623 40 0 EHABLP Cc1ccc(CN(Cc2c[nH]c[nH+]2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116742 563653976 /nfs/dbraw/zinc/65/39/76/563653976.db2.gz MJUOWHFFHDWKFN-UHFFFAOYSA-N 2 2 330.476 3.623 40 0 EHABLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008373846 564016182 /nfs/dbraw/zinc/01/61/82/564016182.db2.gz XXLMHDLPDCEKMM-UHFFFAOYSA-N 2 2 332.875 3.960 40 0 EHABLP c1cc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138283 564062302 /nfs/dbraw/zinc/06/23/02/564062302.db2.gz RUEIFCZMGVIEFB-MSOLQXFVSA-N 2 2 335.476 3.916 40 0 EHABLP c1cc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cs1 ZINC000306138283 564062303 /nfs/dbraw/zinc/06/23/03/564062303.db2.gz RUEIFCZMGVIEFB-MSOLQXFVSA-N 2 2 335.476 3.916 40 0 EHABLP CCc1ccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1 ZINC000023805461 212396015 /nfs/dbraw/zinc/39/60/15/212396015.db2.gz CXZWGUBSCBLBEN-QFIPXVFZSA-N 2 2 348.494 3.827 40 0 EHABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257264161 244355792 /nfs/dbraw/zinc/35/57/92/244355792.db2.gz LTEFHVCQBQVKFY-LJQANCHMSA-N 2 2 338.499 3.708 40 0 EHABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257264161 244355796 /nfs/dbraw/zinc/35/57/96/244355796.db2.gz LTEFHVCQBQVKFY-LJQANCHMSA-N 2 2 338.499 3.708 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132153 564062191 /nfs/dbraw/zinc/06/21/91/564062191.db2.gz LACJGGGCLAIBRS-FQEVSTJZSA-N 2 2 337.398 3.731 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132153 564062192 /nfs/dbraw/zinc/06/21/92/564062192.db2.gz LACJGGGCLAIBRS-FQEVSTJZSA-N 2 2 337.398 3.731 40 0 EHABLP C[NH+](C)CCC[N@H+](Cc1ccc2ncccc2c1)Cc1ccccn1 ZINC000019582191 202012335 /nfs/dbraw/zinc/01/23/35/202012335.db2.gz PPFXHRIRSYJPED-UHFFFAOYSA-N 2 2 334.467 3.584 40 0 EHABLP C[NH+](C)CCC[N@@H+](Cc1ccc2ncccc2c1)Cc1ccccn1 ZINC000019582191 202012337 /nfs/dbraw/zinc/01/23/37/202012337.db2.gz PPFXHRIRSYJPED-UHFFFAOYSA-N 2 2 334.467 3.584 40 0 EHABLP C=Cn1ncc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)c1C ZINC000043277742 563925543 /nfs/dbraw/zinc/92/55/43/563925543.db2.gz LIYAXQDCXWCWDK-LJQANCHMSA-N 2 2 339.487 3.737 40 0 EHABLP C=Cn1ncc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)c1C ZINC000043277742 563925544 /nfs/dbraw/zinc/92/55/44/563925544.db2.gz LIYAXQDCXWCWDK-LJQANCHMSA-N 2 2 339.487 3.737 40 0 EHABLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096051149 563978562 /nfs/dbraw/zinc/97/85/62/563978562.db2.gz GJPYKGKKZHMWLY-GOSISDBHSA-N 2 2 347.409 3.721 40 0 EHABLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096051149 563978563 /nfs/dbraw/zinc/97/85/63/563978563.db2.gz GJPYKGKKZHMWLY-GOSISDBHSA-N 2 2 347.409 3.721 40 0 EHABLP CC[NH2+][C@H]1C[N@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703919 564128048 /nfs/dbraw/zinc/12/80/48/564128048.db2.gz PSDYHDQVEOOTJF-QGZVFWFLSA-N 2 2 332.488 3.591 40 0 EHABLP CC[NH2+][C@H]1C[N@@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703919 564128049 /nfs/dbraw/zinc/12/80/49/564128049.db2.gz PSDYHDQVEOOTJF-QGZVFWFLSA-N 2 2 332.488 3.591 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072379050 203210047 /nfs/dbraw/zinc/21/00/47/203210047.db2.gz LUEXEJXCAKTYOJ-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072379050 203210051 /nfs/dbraw/zinc/21/00/51/203210051.db2.gz LUEXEJXCAKTYOJ-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP Cn1c[nH+]cc1-c1cccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257235553 244227410 /nfs/dbraw/zinc/22/74/10/244227410.db2.gz GYHRYLIQBIVGJM-SFHVURJKSA-N 2 2 332.451 3.862 40 0 EHABLP Cn1c[nH+]cc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257235553 244227414 /nfs/dbraw/zinc/22/74/14/244227414.db2.gz GYHRYLIQBIVGJM-SFHVURJKSA-N 2 2 332.451 3.862 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072355519 203205321 /nfs/dbraw/zinc/20/53/21/203205321.db2.gz FVJXJYMQQPZIKP-MRXNPFEDSA-N 2 2 339.487 3.737 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072355519 203205324 /nfs/dbraw/zinc/20/53/24/203205324.db2.gz FVJXJYMQQPZIKP-MRXNPFEDSA-N 2 2 339.487 3.737 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273114 244382168 /nfs/dbraw/zinc/38/21/68/244382168.db2.gz NFIBEFOZYVFHFW-LJQANCHMSA-N 2 2 333.439 3.523 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273114 244382176 /nfs/dbraw/zinc/38/21/76/244382176.db2.gz NFIBEFOZYVFHFW-LJQANCHMSA-N 2 2 333.439 3.523 40 0 EHABLP c1csc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC000096049310 563978453 /nfs/dbraw/zinc/97/84/53/563978453.db2.gz VWGPHOVUYBNARU-UHFFFAOYSA-N 2 2 327.497 3.774 40 0 EHABLP c1csc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096049310 563978454 /nfs/dbraw/zinc/97/84/54/563978454.db2.gz VWGPHOVUYBNARU-UHFFFAOYSA-N 2 2 327.497 3.774 40 0 EHABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000257326091 564055504 /nfs/dbraw/zinc/05/55/04/564055504.db2.gz WVTJYUMRDDUYIJ-SFHVURJKSA-N 2 2 347.466 3.565 40 0 EHABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000257326091 564055505 /nfs/dbraw/zinc/05/55/05/564055505.db2.gz WVTJYUMRDDUYIJ-SFHVURJKSA-N 2 2 347.466 3.565 40 0 EHABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc2c(ccc(Cl)c2Cl)c1 ZINC000001702464 563404978 /nfs/dbraw/zinc/40/49/78/563404978.db2.gz FTYBSFGSOKEVRK-UHFFFAOYSA-N 2 2 336.226 3.751 40 0 EHABLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)cs1 ZINC000096046945 563978104 /nfs/dbraw/zinc/97/81/04/563978104.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)cs1 ZINC000096046945 563978105 /nfs/dbraw/zinc/97/81/05/563978105.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cs1 ZINC000096046945 563978106 /nfs/dbraw/zinc/97/81/06/563978106.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096046945 563978107 /nfs/dbraw/zinc/97/81/07/563978107.db2.gz DLEDZNHLVRZYAZ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP Cc1cccc(C[NH+]2CCC3(C[C@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221367 563980444 /nfs/dbraw/zinc/98/04/44/563980444.db2.gz GJGYNYBAKZMIHI-IBGZPJMESA-N 2 2 337.467 3.626 40 0 EHABLP Fc1ccc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129487 564062167 /nfs/dbraw/zinc/06/21/67/564062167.db2.gz IESPOGISSLPVGL-MOPGFXCFSA-N 2 2 347.437 3.994 40 0 EHABLP Fc1ccc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129487 564062168 /nfs/dbraw/zinc/06/21/68/564062168.db2.gz IESPOGISSLPVGL-MOPGFXCFSA-N 2 2 347.437 3.994 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3ccoc3)C1)C2 ZINC000306138556 564062336 /nfs/dbraw/zinc/06/23/36/564062336.db2.gz SATQGSIKISDRBF-OAQYLSRUSA-N 2 2 349.434 3.600 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3ccoc3)C1)C2 ZINC000306138556 564062337 /nfs/dbraw/zinc/06/23/37/564062337.db2.gz SATQGSIKISDRBF-OAQYLSRUSA-N 2 2 349.434 3.600 40 0 EHABLP c1ccc(C[N@@H+]2CCC[C@@]3(C2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000019372017 202005473 /nfs/dbraw/zinc/00/54/73/202005473.db2.gz LUTQFAMQSNTGNR-QFIPXVFZSA-N 2 2 331.463 3.805 40 0 EHABLP c1ccc(C[N@H+]2CCC[C@@]3(C2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000019372017 202005476 /nfs/dbraw/zinc/00/54/76/202005476.db2.gz LUTQFAMQSNTGNR-QFIPXVFZSA-N 2 2 331.463 3.805 40 0 EHABLP Cc1c2ccccc2oc1C[NH+]1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019566362 202011310 /nfs/dbraw/zinc/01/13/10/202011310.db2.gz LNSPZYYYAOQBNM-HOTGVXAUSA-N 2 2 342.483 3.815 40 0 EHABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378677 203210758 /nfs/dbraw/zinc/21/07/58/203210758.db2.gz AAHQNUFKVVZHHW-HXUWFJFHSA-N 2 2 347.466 3.740 40 0 EHABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378677 203210762 /nfs/dbraw/zinc/21/07/62/203210762.db2.gz AAHQNUFKVVZHHW-HXUWFJFHSA-N 2 2 347.466 3.740 40 0 EHABLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053866 563978676 /nfs/dbraw/zinc/97/86/76/563978676.db2.gz RYJFYUYRNDWHRB-IRXDYDNUSA-N 2 2 330.472 3.759 40 0 EHABLP Cc1[nH+]c(C2(C)CC[NH+](Cc3cncs3)CC2)c2sccn12 ZINC000257288608 564054794 /nfs/dbraw/zinc/05/47/94/564054794.db2.gz PUXJRBXVYPOMCI-UHFFFAOYSA-N 2 2 332.498 3.714 40 0 EHABLP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2c(Cl)ccc(Cl)c12 ZINC000031614206 202207689 /nfs/dbraw/zinc/20/76/89/202207689.db2.gz BZWHSBUIROLLNN-NSHDSACASA-N 2 2 342.270 3.656 40 0 EHABLP Cc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(C[NH+]3CCCC3)n2)s1 ZINC000257211723 244152494 /nfs/dbraw/zinc/15/24/94/244152494.db2.gz CADLXPWKYBYRND-IBGZPJMESA-N 2 2 342.512 3.779 40 0 EHABLP Cc1ccc(C[N@H+]2CCC[C@H]2c2cncc(C[NH+]3CCCC3)n2)s1 ZINC000257211723 244152502 /nfs/dbraw/zinc/15/25/02/244152502.db2.gz CADLXPWKYBYRND-IBGZPJMESA-N 2 2 342.512 3.779 40 0 EHABLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378644 203211141 /nfs/dbraw/zinc/21/11/41/203211141.db2.gz XSMJLORTTPPSQU-QGZVFWFLSA-N 2 2 336.414 3.786 40 0 EHABLP Fc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378644 203211144 /nfs/dbraw/zinc/21/11/44/203211144.db2.gz XSMJLORTTPPSQU-QGZVFWFLSA-N 2 2 336.414 3.786 40 0 EHABLP C[NH+](C)CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008373909 563627847 /nfs/dbraw/zinc/62/78/47/563627847.db2.gz JSZUWDHCLDBAJR-UHFFFAOYSA-N 2 2 332.875 3.960 40 0 EHABLP Clc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245637 563980598 /nfs/dbraw/zinc/98/05/98/563980598.db2.gz ILRZCRYIGAUDLG-KDURUIRLSA-N 2 2 326.871 3.904 40 0 EHABLP Clc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245637 563980599 /nfs/dbraw/zinc/98/05/99/563980599.db2.gz ILRZCRYIGAUDLG-KDURUIRLSA-N 2 2 326.871 3.904 40 0 EHABLP Clc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245637 563980600 /nfs/dbraw/zinc/98/06/00/563980600.db2.gz ILRZCRYIGAUDLG-KDURUIRLSA-N 2 2 326.871 3.904 40 0 EHABLP Clc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245637 563980601 /nfs/dbraw/zinc/98/06/01/563980601.db2.gz ILRZCRYIGAUDLG-KDURUIRLSA-N 2 2 326.871 3.904 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@@H+]3Cc3cncs3)ccn2)n1C ZINC000257293204 564054945 /nfs/dbraw/zinc/05/49/45/564054945.db2.gz QONXJDGIZNLQNT-KRWDZBQOSA-N 2 2 339.468 3.584 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@H+]3Cc3cncs3)ccn2)n1C ZINC000257293204 564054946 /nfs/dbraw/zinc/05/49/46/564054946.db2.gz QONXJDGIZNLQNT-KRWDZBQOSA-N 2 2 339.468 3.584 40 0 EHABLP CC(C)c1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019453290 202008445 /nfs/dbraw/zinc/00/84/45/202008445.db2.gz DHHIPJIRFSCLHO-FQEVSTJZSA-N 2 2 336.483 3.583 40 0 EHABLP CC(C)c1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019453290 202008446 /nfs/dbraw/zinc/00/84/46/202008446.db2.gz DHHIPJIRFSCLHO-FQEVSTJZSA-N 2 2 336.483 3.583 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273113 244383368 /nfs/dbraw/zinc/38/33/68/244383368.db2.gz NFIBEFOZYVFHFW-IBGZPJMESA-N 2 2 333.439 3.523 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)ccn2)n1C ZINC000257273113 244383376 /nfs/dbraw/zinc/38/33/76/244383376.db2.gz NFIBEFOZYVFHFW-IBGZPJMESA-N 2 2 333.439 3.523 40 0 EHABLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096051150 563978592 /nfs/dbraw/zinc/97/85/92/563978592.db2.gz GJPYKGKKZHMWLY-SFHVURJKSA-N 2 2 347.409 3.721 40 0 EHABLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)o1 ZINC000096051150 563978593 /nfs/dbraw/zinc/97/85/93/563978593.db2.gz GJPYKGKKZHMWLY-SFHVURJKSA-N 2 2 347.409 3.721 40 0 EHABLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3nccs3)C[C@@H]21 ZINC000096058319 563978759 /nfs/dbraw/zinc/97/87/59/563978759.db2.gz UDPIPYJJZFPSDE-LNLFQRSKSA-N 2 2 327.497 3.754 40 0 EHABLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3nccs3)C[C@@H]21 ZINC000096058319 563978760 /nfs/dbraw/zinc/97/87/60/563978760.db2.gz UDPIPYJJZFPSDE-LNLFQRSKSA-N 2 2 327.497 3.754 40 0 EHABLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000096058319 563978761 /nfs/dbraw/zinc/97/87/61/563978761.db2.gz UDPIPYJJZFPSDE-LNLFQRSKSA-N 2 2 327.497 3.754 40 0 EHABLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000096058319 563978762 /nfs/dbraw/zinc/97/87/62/563978762.db2.gz UDPIPYJJZFPSDE-LNLFQRSKSA-N 2 2 327.497 3.754 40 0 EHABLP Clc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245638 563980613 /nfs/dbraw/zinc/98/06/13/563980613.db2.gz ILRZCRYIGAUDLG-OALUTQOASA-N 2 2 326.871 3.904 40 0 EHABLP CNc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2scnc2C)[nH+]1 ZINC000257302106 564055074 /nfs/dbraw/zinc/05/50/74/564055074.db2.gz SBOMVIBNZZAMGX-INIZCTEOSA-N 2 2 330.501 3.876 40 0 EHABLP CNc1cccc(CC[C@@H]2CCCC[N@H+]2Cc2scnc2C)[nH+]1 ZINC000257302106 564055075 /nfs/dbraw/zinc/05/50/75/564055075.db2.gz SBOMVIBNZZAMGX-INIZCTEOSA-N 2 2 330.501 3.876 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131211 564062145 /nfs/dbraw/zinc/06/21/45/564062145.db2.gz JYRBGMJZPPQNRI-FQEVSTJZSA-N 2 2 337.398 3.731 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131211 564062146 /nfs/dbraw/zinc/06/21/46/564062146.db2.gz JYRBGMJZPPQNRI-FQEVSTJZSA-N 2 2 337.398 3.731 40 0 EHABLP Fc1ccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306129489 564062210 /nfs/dbraw/zinc/06/22/10/564062210.db2.gz IESPOGISSLPVGL-RBUKOAKNSA-N 2 2 347.437 3.994 40 0 EHABLP Fc1ccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306129489 564062211 /nfs/dbraw/zinc/06/22/11/564062211.db2.gz IESPOGISSLPVGL-RBUKOAKNSA-N 2 2 347.437 3.994 40 0 EHABLP Cc1cccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128667 1137871341 /nfs/dbraw/zinc/87/13/41/1137871341.db2.gz HHUPPPUIGJYJJO-OALUTQOASA-N 2 2 344.462 3.558 40 0 EHABLP Cc1cccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128667 1137871342 /nfs/dbraw/zinc/87/13/42/1137871342.db2.gz HHUPPPUIGJYJJO-OALUTQOASA-N 2 2 344.462 3.558 40 0 EHABLP CC(C)c1[nH+]ccn1-c1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000019454509 202008161 /nfs/dbraw/zinc/00/81/61/202008161.db2.gz PLLJPDLUEYTXGN-UHFFFAOYSA-N 2 2 337.427 3.611 40 0 EHABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378695 203210607 /nfs/dbraw/zinc/21/06/07/203210607.db2.gz DRNOBJIIXCCZKN-FQEVSTJZSA-N 2 2 348.450 3.921 40 0 EHABLP COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378695 203210611 /nfs/dbraw/zinc/21/06/11/203210611.db2.gz DRNOBJIIXCCZKN-FQEVSTJZSA-N 2 2 348.450 3.921 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072355515 203204714 /nfs/dbraw/zinc/20/47/14/203204714.db2.gz VFQCJRQDTKIZSR-INIZCTEOSA-N 2 2 339.487 3.908 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072355515 203204718 /nfs/dbraw/zinc/20/47/18/203204718.db2.gz VFQCJRQDTKIZSR-INIZCTEOSA-N 2 2 339.487 3.908 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072355452 203205021 /nfs/dbraw/zinc/20/50/21/203205021.db2.gz QUZOKZKHEACNDN-GOSISDBHSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072355452 203205023 /nfs/dbraw/zinc/20/50/23/203205023.db2.gz QUZOKZKHEACNDN-GOSISDBHSA-N 2 2 347.466 3.604 40 0 EHABLP Cn1c[nH+]cc1CN(Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116752 563653881 /nfs/dbraw/zinc/65/38/81/563653881.db2.gz HKSDYJKNQVOVGU-UHFFFAOYSA-N 2 2 340.515 3.732 40 0 EHABLP Cn1cncc1C[N@H+](Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116752 563653884 /nfs/dbraw/zinc/65/38/84/563653884.db2.gz HKSDYJKNQVOVGU-UHFFFAOYSA-N 2 2 340.515 3.732 40 0 EHABLP Cn1cncc1C[N@@H+](Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116752 563653885 /nfs/dbraw/zinc/65/38/85/563653885.db2.gz HKSDYJKNQVOVGU-UHFFFAOYSA-N 2 2 340.515 3.732 40 0 EHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccc(C)o3)CC1)[N@@H+](C)CC2 ZINC000096100213 563979154 /nfs/dbraw/zinc/97/91/54/563979154.db2.gz QFHMWGYEPQCIOU-UHFFFAOYSA-N 2 2 340.467 3.576 40 0 EHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccc(C)o3)CC1)[N@H+](C)CC2 ZINC000096100213 563979155 /nfs/dbraw/zinc/97/91/55/563979155.db2.gz QFHMWGYEPQCIOU-UHFFFAOYSA-N 2 2 340.467 3.576 40 0 EHABLP FCC[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccoc1)c1ccccc1O2 ZINC000096242731 563980583 /nfs/dbraw/zinc/98/05/83/563980583.db2.gz LWSHMZKXASYVGM-GOSISDBHSA-N 2 2 344.430 3.697 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000019719717 202016695 /nfs/dbraw/zinc/01/66/95/202016695.db2.gz HBRWSXTYUHPJSA-UHFFFAOYSA-N 2 2 336.439 3.859 40 0 EHABLP Cc1cc(Nc2cccc(C)[nH+]2)cc([C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000257201197 244121374 /nfs/dbraw/zinc/12/13/74/244121374.db2.gz AGSODWUSAIDWMI-LJQANCHMSA-N 2 2 340.471 3.866 40 0 EHABLP Cc1cc(Nc2cccc(C)[nH+]2)cc([C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000257201197 244121378 /nfs/dbraw/zinc/12/13/78/244121378.db2.gz AGSODWUSAIDWMI-LJQANCHMSA-N 2 2 340.471 3.866 40 0 EHABLP C=CC(=O)N1CCC[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1 ZINC000585291229 563982103 /nfs/dbraw/zinc/98/21/03/563982103.db2.gz AARYYQOURVVVOK-INIZCTEOSA-N 2 2 336.439 3.729 40 0 EHABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378698 203209952 /nfs/dbraw/zinc/20/99/52/203209952.db2.gz JGNYCHDWSLBWFY-LJQANCHMSA-N 2 2 332.451 3.689 40 0 EHABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378698 203209956 /nfs/dbraw/zinc/20/99/56/203209956.db2.gz JGNYCHDWSLBWFY-LJQANCHMSA-N 2 2 332.451 3.689 40 0 EHABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213396 536340246 /nfs/dbraw/zinc/34/02/46/536340246.db2.gz CHKKSRHAGLSWMR-IBGZPJMESA-N 2 2 343.446 3.636 40 0 EHABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213396 536340247 /nfs/dbraw/zinc/34/02/47/536340247.db2.gz CHKKSRHAGLSWMR-IBGZPJMESA-N 2 2 343.446 3.636 40 0 EHABLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)s1 ZINC000096046949 563978214 /nfs/dbraw/zinc/97/82/14/563978214.db2.gz LYCVYMUENSUMOH-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)s1 ZINC000096046949 563978215 /nfs/dbraw/zinc/97/82/15/563978215.db2.gz LYCVYMUENSUMOH-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)s1 ZINC000096046949 563978216 /nfs/dbraw/zinc/97/82/16/563978216.db2.gz LYCVYMUENSUMOH-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)s1 ZINC000096046949 563978217 /nfs/dbraw/zinc/97/82/17/563978217.db2.gz LYCVYMUENSUMOH-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306140559 564062325 /nfs/dbraw/zinc/06/23/25/564062325.db2.gz UXFOWMYEUAUGSF-NRFANRHFSA-N 2 2 348.425 3.533 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306140559 564062326 /nfs/dbraw/zinc/06/23/26/564062326.db2.gz UXFOWMYEUAUGSF-NRFANRHFSA-N 2 2 348.425 3.533 40 0 EHABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)o1 ZINC000043277761 563925640 /nfs/dbraw/zinc/92/56/40/563925640.db2.gz DNIWZGMFFLTKCT-UHFFFAOYSA-N 2 2 349.438 3.753 40 0 EHABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3[nH]2)o1 ZINC000043277761 563925641 /nfs/dbraw/zinc/92/56/41/563925641.db2.gz DNIWZGMFFLTKCT-UHFFFAOYSA-N 2 2 349.438 3.753 40 0 EHABLP c1cn(-c2cccc(C3CC[NH+](CCOc4ccccc4)CC3)n2)c[nH+]1 ZINC000072379204 216180997 /nfs/dbraw/zinc/18/09/97/216180997.db2.gz JBEGEAZQCQVXKQ-UHFFFAOYSA-N 2 2 348.450 3.526 40 0 EHABLP Cc1cc(Nc2cccc(C)[nH+]2)cc([C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000257201196 244121641 /nfs/dbraw/zinc/12/16/41/244121641.db2.gz AGSODWUSAIDWMI-IBGZPJMESA-N 2 2 340.471 3.866 40 0 EHABLP Cc1cc(Nc2cccc(C)[nH+]2)cc([C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000257201196 244121645 /nfs/dbraw/zinc/12/16/45/244121645.db2.gz AGSODWUSAIDWMI-IBGZPJMESA-N 2 2 340.471 3.866 40 0 EHABLP O[C@H](c1ccccc1)[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366029 212022484 /nfs/dbraw/zinc/02/24/84/212022484.db2.gz SGOMBIGJIMEQGI-XZOQPEGZSA-N 2 2 346.474 3.841 40 0 EHABLP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096215595 563980249 /nfs/dbraw/zinc/98/02/49/563980249.db2.gz AQKVUCXWAVRKIF-OAQYLSRUSA-N 2 2 337.467 3.583 40 0 EHABLP COc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096215595 563980250 /nfs/dbraw/zinc/98/02/50/563980250.db2.gz AQKVUCXWAVRKIF-OAQYLSRUSA-N 2 2 337.467 3.583 40 0 EHABLP Cc1[nH+]cc(-c2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)n1C ZINC000257324703 564055468 /nfs/dbraw/zinc/05/54/68/564055468.db2.gz WPTSCARLUDVMKD-UHFFFAOYSA-N 2 2 347.466 3.565 40 0 EHABLP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1F ZINC000072355481 216163752 /nfs/dbraw/zinc/16/37/52/216163752.db2.gz ZQLSQAWNMYTYLE-SFHVURJKSA-N 2 2 340.377 3.883 40 0 EHABLP Fc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1F ZINC000072355481 216163753 /nfs/dbraw/zinc/16/37/53/216163753.db2.gz ZQLSQAWNMYTYLE-SFHVURJKSA-N 2 2 340.377 3.883 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378716 216181604 /nfs/dbraw/zinc/18/16/04/216181604.db2.gz AYVKWYZDERTBTK-KRWDZBQOSA-N 2 2 325.460 3.694 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378716 216181607 /nfs/dbraw/zinc/18/16/07/216181607.db2.gz AYVKWYZDERTBTK-KRWDZBQOSA-N 2 2 325.460 3.694 40 0 EHABLP C[NH+](C)CCC[N@H+](Cc1ccccn1)Cc1cccc2ncccc12 ZINC000019582193 212047691 /nfs/dbraw/zinc/04/76/91/212047691.db2.gz JBGYJUUQGYSTIG-UHFFFAOYSA-N 2 2 334.467 3.584 40 0 EHABLP C[NH+](C)CCC[N@@H+](Cc1ccccn1)Cc1cccc2ncccc12 ZINC000019582193 212047693 /nfs/dbraw/zinc/04/76/93/212047693.db2.gz JBGYJUUQGYSTIG-UHFFFAOYSA-N 2 2 334.467 3.584 40 0 EHABLP Cc1ccc(C)c([C@@H](O)C[NH+]2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000019132002 563854376 /nfs/dbraw/zinc/85/43/76/563854376.db2.gz JDLHDBRUAOZPLI-NRFANRHFSA-N 2 2 330.516 3.533 40 0 EHABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257285321 564054784 /nfs/dbraw/zinc/05/47/84/564054784.db2.gz PGPPJZUOMGJJAF-LJQANCHMSA-N 2 2 347.466 3.565 40 0 EHABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257285321 564054785 /nfs/dbraw/zinc/05/47/85/564054785.db2.gz PGPPJZUOMGJJAF-LJQANCHMSA-N 2 2 347.466 3.565 40 0 EHABLP C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000328976573 564071183 /nfs/dbraw/zinc/07/11/83/564071183.db2.gz FOOUZSIIAVBPOT-UHFFFAOYSA-N 2 2 345.878 3.537 40 0 EHABLP c1cn(-c2cccc([C@H]3CCC[N@@H+](CCOc4ccccc4)C3)n2)c[nH+]1 ZINC000072378782 216181385 /nfs/dbraw/zinc/18/13/85/216181385.db2.gz YIDUCVLPKQMEND-SFHVURJKSA-N 2 2 348.450 3.526 40 0 EHABLP c1cn(-c2cccc([C@H]3CCC[N@H+](CCOc4ccccc4)C3)n2)c[nH+]1 ZINC000072378782 216181389 /nfs/dbraw/zinc/18/13/89/216181389.db2.gz YIDUCVLPKQMEND-SFHVURJKSA-N 2 2 348.450 3.526 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@@H+](C4CCCC4)C3)cn2)n1C ZINC000257221220 244184306 /nfs/dbraw/zinc/18/43/06/244184306.db2.gz DOALMOLRFDPNKY-SFHVURJKSA-N 2 2 338.499 3.988 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@H+](C4CCCC4)C3)cn2)n1C ZINC000257221220 244184319 /nfs/dbraw/zinc/18/43/19/244184319.db2.gz DOALMOLRFDPNKY-SFHVURJKSA-N 2 2 338.499 3.988 40 0 EHABLP Fc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096075367 563979089 /nfs/dbraw/zinc/97/90/89/563979089.db2.gz VAXAAUODZCBDNH-UHFFFAOYSA-N 2 2 339.458 3.851 40 0 EHABLP Fc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC000096075367 563979090 /nfs/dbraw/zinc/97/90/90/563979090.db2.gz VAXAAUODZCBDNH-UHFFFAOYSA-N 2 2 339.458 3.851 40 0 EHABLP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215993 563980332 /nfs/dbraw/zinc/98/03/32/563980332.db2.gz OEJCXJUMWYHSFS-NRFANRHFSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215993 563980333 /nfs/dbraw/zinc/98/03/33/563980333.db2.gz OEJCXJUMWYHSFS-NRFANRHFSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215993 563980334 /nfs/dbraw/zinc/98/03/34/563980334.db2.gz OEJCXJUMWYHSFS-NRFANRHFSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215993 563980335 /nfs/dbraw/zinc/98/03/35/563980335.db2.gz OEJCXJUMWYHSFS-NRFANRHFSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@@H+](CC(C)C)C3)cn2)n1C ZINC000257285340 564054774 /nfs/dbraw/zinc/05/47/74/564054774.db2.gz PGRHOEQCRUMWFD-GOSISDBHSA-N 2 2 326.488 3.701 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@H+](CC(C)C)C3)cn2)n1C ZINC000257285340 564054775 /nfs/dbraw/zinc/05/47/75/564054775.db2.gz PGRHOEQCRUMWFD-GOSISDBHSA-N 2 2 326.488 3.701 40 0 EHABLP Fc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cc1 ZINC000306129490 564062184 /nfs/dbraw/zinc/06/21/84/564062184.db2.gz IESPOGISSLPVGL-RTBURBONSA-N 2 2 347.437 3.994 40 0 EHABLP Fc1ccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cc1 ZINC000306129490 564062185 /nfs/dbraw/zinc/06/21/85/564062185.db2.gz IESPOGISSLPVGL-RTBURBONSA-N 2 2 347.437 3.994 40 0 EHABLP COc1cc(C[N@@H+]2CC[C@]3(C)[NH2+]CCCCC[C@H]23)ccc1OC(C)C ZINC000019713322 564128120 /nfs/dbraw/zinc/12/81/20/564128120.db2.gz ZGZOEHJUBWBNRO-SFTDATJTSA-N 2 2 346.515 3.979 40 0 EHABLP COc1cc(C[N@H+]2CC[C@]3(C)[NH2+]CCCCC[C@H]23)ccc1OC(C)C ZINC000019713322 564128121 /nfs/dbraw/zinc/12/81/21/564128121.db2.gz ZGZOEHJUBWBNRO-SFTDATJTSA-N 2 2 346.515 3.979 40 0 EHABLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000096216071 563980276 /nfs/dbraw/zinc/98/02/76/563980276.db2.gz NCPUFAQCGDFCJV-HXUWFJFHSA-N 2 2 331.504 3.770 40 0 EHABLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000096216071 563980277 /nfs/dbraw/zinc/98/02/77/563980277.db2.gz NCPUFAQCGDFCJV-HXUWFJFHSA-N 2 2 331.504 3.770 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096216071 563980278 /nfs/dbraw/zinc/98/02/78/563980278.db2.gz NCPUFAQCGDFCJV-HXUWFJFHSA-N 2 2 331.504 3.770 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000096216071 563980279 /nfs/dbraw/zinc/98/02/79/563980279.db2.gz NCPUFAQCGDFCJV-HXUWFJFHSA-N 2 2 331.504 3.770 40 0 EHABLP Clc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245639 563980628 /nfs/dbraw/zinc/98/06/28/563980628.db2.gz ILRZCRYIGAUDLG-RTBURBONSA-N 2 2 326.871 3.904 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@@H+](CC(C)C)C3)cn2)n1C ZINC000257285341 564054765 /nfs/dbraw/zinc/05/47/65/564054765.db2.gz PGRHOEQCRUMWFD-SFHVURJKSA-N 2 2 326.488 3.701 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@H+](CC(C)C)C3)cn2)n1C ZINC000257285341 564054766 /nfs/dbraw/zinc/05/47/66/564054766.db2.gz PGRHOEQCRUMWFD-SFHVURJKSA-N 2 2 326.488 3.701 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@@H+](C4CCCC4)C3)cn2)n1C ZINC000257221219 244185323 /nfs/dbraw/zinc/18/53/23/244185323.db2.gz DOALMOLRFDPNKY-GOSISDBHSA-N 2 2 338.499 3.988 40 0 EHABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@H+](C4CCCC4)C3)cn2)n1C ZINC000257221219 244185329 /nfs/dbraw/zinc/18/53/29/244185329.db2.gz DOALMOLRFDPNKY-GOSISDBHSA-N 2 2 338.499 3.988 40 0 EHABLP Clc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293423 212012690 /nfs/dbraw/zinc/01/26/90/212012690.db2.gz LHZBXFHAQVBEEN-SFHVURJKSA-N 2 2 342.874 3.503 40 0 EHABLP Clc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293423 212012692 /nfs/dbraw/zinc/01/26/92/212012692.db2.gz LHZBXFHAQVBEEN-SFHVURJKSA-N 2 2 342.874 3.503 40 0 EHABLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)n1 ZINC000096216117 563980319 /nfs/dbraw/zinc/98/03/19/563980319.db2.gz VGHPKEVRNQQYEI-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)n1 ZINC000096216117 563980320 /nfs/dbraw/zinc/98/03/20/563980320.db2.gz VGHPKEVRNQQYEI-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096216117 563980321 /nfs/dbraw/zinc/98/03/21/563980321.db2.gz VGHPKEVRNQQYEI-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)n1 ZINC000096216117 563980322 /nfs/dbraw/zinc/98/03/22/563980322.db2.gz VGHPKEVRNQQYEI-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Fc1cccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129805 564062150 /nfs/dbraw/zinc/06/21/50/564062150.db2.gz INLOTNQKIDUMJG-OALUTQOASA-N 2 2 347.437 3.994 40 0 EHABLP Fc1cccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129805 564062151 /nfs/dbraw/zinc/06/21/51/564062151.db2.gz INLOTNQKIDUMJG-OALUTQOASA-N 2 2 347.437 3.994 40 0 EHABLP CC[NH2+][C@@H]1C[N@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703918 564128060 /nfs/dbraw/zinc/12/80/60/564128060.db2.gz PSDYHDQVEOOTJF-KRWDZBQOSA-N 2 2 332.488 3.591 40 0 EHABLP CC[NH2+][C@@H]1C[N@@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703918 564128061 /nfs/dbraw/zinc/12/80/61/564128061.db2.gz PSDYHDQVEOOTJF-KRWDZBQOSA-N 2 2 332.488 3.591 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379055 216180204 /nfs/dbraw/zinc/18/02/04/216180204.db2.gz FUNHMMIKCLFQRS-QGZVFWFLSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379055 216180207 /nfs/dbraw/zinc/18/02/07/216180207.db2.gz FUNHMMIKCLFQRS-QGZVFWFLSA-N 2 2 347.466 3.604 40 0 EHABLP c1csc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)c1 ZINC000096206101 563980143 /nfs/dbraw/zinc/98/01/43/563980143.db2.gz XXJCLFAMCWPWMU-MJGOQNOKSA-N 2 2 343.496 3.626 40 0 EHABLP c1csc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)c1 ZINC000096206101 563980144 /nfs/dbraw/zinc/98/01/44/563980144.db2.gz XXJCLFAMCWPWMU-MJGOQNOKSA-N 2 2 343.496 3.626 40 0 EHABLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000096484369 564051326 /nfs/dbraw/zinc/05/13/26/564051326.db2.gz KGEIHHUWMJPNNI-FHLIZLRMSA-N 3 2 342.462 3.597 40 0 EHABLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484369 564051327 /nfs/dbraw/zinc/05/13/27/564051327.db2.gz KGEIHHUWMJPNNI-FHLIZLRMSA-N 3 2 342.462 3.597 40 0 EHABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296351 564054961 /nfs/dbraw/zinc/05/49/61/564054961.db2.gz RCJRTGKRQNAIRS-IBGZPJMESA-N 2 2 343.446 3.636 40 0 EHABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296351 564054962 /nfs/dbraw/zinc/05/49/62/564054962.db2.gz RCJRTGKRQNAIRS-IBGZPJMESA-N 2 2 343.446 3.636 40 0 EHABLP Fc1ccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129488 564062225 /nfs/dbraw/zinc/06/22/25/564062225.db2.gz IESPOGISSLPVGL-OALUTQOASA-N 2 2 347.437 3.994 40 0 EHABLP Fc1ccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306129488 564062226 /nfs/dbraw/zinc/06/22/26/564062226.db2.gz IESPOGISSLPVGL-OALUTQOASA-N 2 2 347.437 3.994 40 0 EHABLP CC1(C)CC([NH+](Cc2cccnc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740526 213114333 /nfs/dbraw/zinc/11/43/33/213114333.db2.gz QBOARYHGZSCZDW-UHFFFAOYSA-N 2 2 338.499 3.788 40 0 EHABLP O[C@@H](c1ccccc1)[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366031 212023068 /nfs/dbraw/zinc/02/30/68/212023068.db2.gz SGOMBIGJIMEQGI-GOTSBHOMSA-N 2 2 346.474 3.841 40 0 EHABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+](Cc2cccs2)C3)c1 ZINC000096062390 563978944 /nfs/dbraw/zinc/97/89/44/563978944.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 2 2 348.537 3.534 40 0 EHABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+](Cc2cccs2)C3)c1 ZINC000096062390 563978945 /nfs/dbraw/zinc/97/89/45/563978945.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 2 2 348.537 3.534 40 0 EHABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+](Cc2cccs2)C3)c1 ZINC000096062390 563978946 /nfs/dbraw/zinc/97/89/46/563978946.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 2 2 348.537 3.534 40 0 EHABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+](Cc2cccs2)C3)c1 ZINC000096062390 563978947 /nfs/dbraw/zinc/97/89/47/563978947.db2.gz FSLGEILHWVDBLD-GOSISDBHSA-N 2 2 348.537 3.534 40 0 EHABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000013991303 564087302 /nfs/dbraw/zinc/08/73/02/564087302.db2.gz ZGCUASCGQUIHHW-UHFFFAOYSA-N 2 2 335.451 3.984 40 0 EHABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000013991303 564087303 /nfs/dbraw/zinc/08/73/03/564087303.db2.gz ZGCUASCGQUIHHW-UHFFFAOYSA-N 2 2 335.451 3.984 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072355520 216164283 /nfs/dbraw/zinc/16/42/83/216164283.db2.gz FVJXJYMQQPZIKP-INIZCTEOSA-N 2 2 339.487 3.737 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072355520 216164287 /nfs/dbraw/zinc/16/42/87/216164287.db2.gz FVJXJYMQQPZIKP-INIZCTEOSA-N 2 2 339.487 3.737 40 0 EHABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](CCOc4ccccc4)C3)n2)c[nH+]1 ZINC000072378783 216180309 /nfs/dbraw/zinc/18/03/09/216180309.db2.gz YIDUCVLPKQMEND-GOSISDBHSA-N 2 2 348.450 3.526 40 0 EHABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](CCOc4ccccc4)C3)n2)c[nH+]1 ZINC000072378783 216180313 /nfs/dbraw/zinc/18/03/13/216180313.db2.gz YIDUCVLPKQMEND-GOSISDBHSA-N 2 2 348.450 3.526 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1ccc2c(c1)C[C@H](C)N2C ZINC000019719463 212057330 /nfs/dbraw/zinc/05/73/30/212057330.db2.gz SDOIIZQBBZMWNT-HNNXBMFYSA-N 2 2 335.455 3.526 40 0 EHABLP c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046941 563978141 /nfs/dbraw/zinc/97/81/41/563978141.db2.gz OGFPZOMLLGDHGQ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP c1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046941 563978142 /nfs/dbraw/zinc/97/81/42/563978142.db2.gz OGFPZOMLLGDHGQ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP c1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096046941 563978143 /nfs/dbraw/zinc/97/81/43/563978143.db2.gz OGFPZOMLLGDHGQ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP c1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096046941 563978144 /nfs/dbraw/zinc/97/81/44/563978144.db2.gz OGFPZOMLLGDHGQ-IBGZPJMESA-N 2 2 327.497 3.631 40 0 EHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccsc3)CC1)[N@@H+](C)CC2 ZINC000096100210 563979192 /nfs/dbraw/zinc/97/91/92/563979192.db2.gz DKZJJZCFHNSKFJ-UHFFFAOYSA-N 2 2 342.508 3.736 40 0 EHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3ccsc3)CC1)[N@H+](C)CC2 ZINC000096100210 563979193 /nfs/dbraw/zinc/97/91/93/563979193.db2.gz DKZJJZCFHNSKFJ-UHFFFAOYSA-N 2 2 342.508 3.736 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000096216069 563980357 /nfs/dbraw/zinc/98/03/57/563980357.db2.gz NCPUFAQCGDFCJV-FQEVSTJZSA-N 2 2 331.504 3.770 40 0 EHABLP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000096216069 563980354 /nfs/dbraw/zinc/98/03/54/563980354.db2.gz NCPUFAQCGDFCJV-FQEVSTJZSA-N 2 2 331.504 3.770 40 0 EHABLP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000096216069 563980355 /nfs/dbraw/zinc/98/03/55/563980355.db2.gz NCPUFAQCGDFCJV-FQEVSTJZSA-N 2 2 331.504 3.770 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000096216069 563980356 /nfs/dbraw/zinc/98/03/56/563980356.db2.gz NCPUFAQCGDFCJV-FQEVSTJZSA-N 2 2 331.504 3.770 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3ccoc3)C1)C2 ZINC000306138555 564062291 /nfs/dbraw/zinc/06/22/91/564062291.db2.gz SATQGSIKISDRBF-NRFANRHFSA-N 2 2 349.434 3.600 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3ccoc3)C1)C2 ZINC000306138555 564062292 /nfs/dbraw/zinc/06/22/92/564062292.db2.gz SATQGSIKISDRBF-NRFANRHFSA-N 2 2 349.434 3.600 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3ccco3)C1)C2 ZINC000306140495 564062341 /nfs/dbraw/zinc/06/23/41/564062341.db2.gz UVAPGIPVBWBGQO-OAQYLSRUSA-N 2 2 349.434 3.600 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3ccco3)C1)C2 ZINC000306140495 564062342 /nfs/dbraw/zinc/06/23/42/564062342.db2.gz UVAPGIPVBWBGQO-OAQYLSRUSA-N 2 2 349.434 3.600 40 0 EHABLP CC(C)c1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228932721 564118150 /nfs/dbraw/zinc/11/81/50/564118150.db2.gz OCKUEVWKNMNCHW-UHFFFAOYSA-N 2 2 336.443 3.618 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072355453 216164591 /nfs/dbraw/zinc/16/45/91/216164591.db2.gz QUZOKZKHEACNDN-SFHVURJKSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072355453 216164595 /nfs/dbraw/zinc/16/45/95/216164595.db2.gz QUZOKZKHEACNDN-SFHVURJKSA-N 2 2 347.466 3.604 40 0 EHABLP C[NH+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000008373917 563627873 /nfs/dbraw/zinc/62/78/73/563627873.db2.gz FEPQGCBFPSXFFH-UHFFFAOYSA-N 2 2 332.875 3.960 40 0 EHABLP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1F ZINC000072355482 216164822 /nfs/dbraw/zinc/16/48/22/216164822.db2.gz ZQLSQAWNMYTYLE-GOSISDBHSA-N 2 2 340.377 3.883 40 0 EHABLP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1F ZINC000072355482 216164826 /nfs/dbraw/zinc/16/48/26/216164826.db2.gz ZQLSQAWNMYTYLE-GOSISDBHSA-N 2 2 340.377 3.883 40 0 EHABLP Cc1cccc(Nc2ccc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)nc2)[nH+]1 ZINC000072353103 216162527 /nfs/dbraw/zinc/16/25/27/216162527.db2.gz CMELGRMNBIQSAG-LJQANCHMSA-N 2 2 348.454 3.599 40 0 EHABLP Cc1cccc(Nc2ccc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc2)[nH+]1 ZINC000072353103 216162529 /nfs/dbraw/zinc/16/25/29/216162529.db2.gz CMELGRMNBIQSAG-LJQANCHMSA-N 2 2 348.454 3.599 40 0 EHABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257219671 244177469 /nfs/dbraw/zinc/17/74/69/244177469.db2.gz DHPZTYCIJVIUAO-CYBMUJFWSA-N 2 2 327.457 3.549 40 0 EHABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257219671 244177475 /nfs/dbraw/zinc/17/74/75/244177475.db2.gz DHPZTYCIJVIUAO-CYBMUJFWSA-N 2 2 327.457 3.549 40 0 EHABLP O[C@H](c1ccccc1)[C@H]([NH2+]CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366030 212022725 /nfs/dbraw/zinc/02/27/25/212022725.db2.gz SGOMBIGJIMEQGI-DHIUTWEWSA-N 2 2 346.474 3.841 40 0 EHABLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccs4)C3)C2)n1 ZINC000096216115 563980291 /nfs/dbraw/zinc/98/02/91/563980291.db2.gz VGHPKEVRNQQYEI-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccs4)C3)C2)n1 ZINC000096216115 563980292 /nfs/dbraw/zinc/98/02/92/563980292.db2.gz VGHPKEVRNQQYEI-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096216115 563980293 /nfs/dbraw/zinc/98/02/93/563980293.db2.gz VGHPKEVRNQQYEI-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)n1 ZINC000096216115 563980294 /nfs/dbraw/zinc/98/02/94/563980294.db2.gz VGHPKEVRNQQYEI-FQEVSTJZSA-N 2 2 341.524 3.940 40 0 EHABLP C=CC(=O)N1CCC[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1 ZINC000585291236 563982122 /nfs/dbraw/zinc/98/21/22/563982122.db2.gz AARYYQOURVVVOK-MRXNPFEDSA-N 2 2 336.439 3.729 40 0 EHABLP c1csc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306139512 564062320 /nfs/dbraw/zinc/06/23/20/564062320.db2.gz SZFJIVDQMYWURB-DLBZAZTESA-N 2 2 335.476 3.916 40 0 EHABLP c1csc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306139512 564062321 /nfs/dbraw/zinc/06/23/21/564062321.db2.gz SZFJIVDQMYWURB-DLBZAZTESA-N 2 2 335.476 3.916 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379056 216182068 /nfs/dbraw/zinc/18/20/68/216182068.db2.gz FUNHMMIKCLFQRS-KRWDZBQOSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379056 216182070 /nfs/dbraw/zinc/18/20/70/216182070.db2.gz FUNHMMIKCLFQRS-KRWDZBQOSA-N 2 2 347.466 3.604 40 0 EHABLP CC1(C)CC(N(Cc2c[nH+]c[nH]2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000012116737 211295416 /nfs/dbraw/zinc/29/54/16/211295416.db2.gz RFSGBAXXNHNGOT-UHFFFAOYSA-N 2 2 344.478 3.860 40 0 EHABLP CC1(C)CC(N(Cc2c[nH]c[nH+]2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000012116737 211295419 /nfs/dbraw/zinc/29/54/19/211295419.db2.gz RFSGBAXXNHNGOT-UHFFFAOYSA-N 2 2 344.478 3.860 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1cnn(C2CCCCC2)c1 ZINC000019719962 212056865 /nfs/dbraw/zinc/05/68/65/212056865.db2.gz UWKIDVXVCVVNMM-UHFFFAOYSA-N 2 2 338.459 3.847 40 0 EHABLP FC1(F)CC[N@H+](Cc2ccsc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051143 563978645 /nfs/dbraw/zinc/97/86/45/563978645.db2.gz RVFRAVALJQSUKR-KRWDZBQOSA-N 2 2 349.450 3.881 40 0 EHABLP FC1(F)CC[N@@H+](Cc2ccsc2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051143 563978646 /nfs/dbraw/zinc/97/86/46/563978646.db2.gz RVFRAVALJQSUKR-KRWDZBQOSA-N 2 2 349.450 3.881 40 0 EHABLP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096215593 563980238 /nfs/dbraw/zinc/98/02/38/563980238.db2.gz AQKVUCXWAVRKIF-NRFANRHFSA-N 2 2 337.467 3.583 40 0 EHABLP COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096215593 563980239 /nfs/dbraw/zinc/98/02/39/563980239.db2.gz AQKVUCXWAVRKIF-NRFANRHFSA-N 2 2 337.467 3.583 40 0 EHABLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000096216128 563980270 /nfs/dbraw/zinc/98/02/70/563980270.db2.gz DENHUKMGXMDAAD-JOCHJYFZSA-N 2 2 335.495 3.878 40 0 EHABLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000096216128 563980271 /nfs/dbraw/zinc/98/02/71/563980271.db2.gz DENHUKMGXMDAAD-JOCHJYFZSA-N 2 2 335.495 3.878 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216128 563980272 /nfs/dbraw/zinc/98/02/72/563980272.db2.gz DENHUKMGXMDAAD-JOCHJYFZSA-N 2 2 335.495 3.878 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216128 563980273 /nfs/dbraw/zinc/98/02/73/563980273.db2.gz DENHUKMGXMDAAD-JOCHJYFZSA-N 2 2 335.495 3.878 40 0 EHABLP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2cc(Cl)c(Cl)cc12 ZINC000004428599 210192049 /nfs/dbraw/zinc/19/20/49/210192049.db2.gz LJUAGDICZIDMII-LLVKDONJSA-N 2 2 342.270 3.656 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378626 216181523 /nfs/dbraw/zinc/18/15/23/216181523.db2.gz BHVOOFYJSOMJFH-SFHVURJKSA-N 2 2 348.454 3.518 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378626 216181527 /nfs/dbraw/zinc/18/15/27/216181527.db2.gz BHVOOFYJSOMJFH-SFHVURJKSA-N 2 2 348.454 3.518 40 0 EHABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244213 244253318 /nfs/dbraw/zinc/25/33/18/244253318.db2.gz IKJZQXFMFDVYEH-GOSISDBHSA-N 2 2 347.466 3.565 40 0 EHABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244213 244253325 /nfs/dbraw/zinc/25/33/25/244253325.db2.gz IKJZQXFMFDVYEH-GOSISDBHSA-N 2 2 347.466 3.565 40 0 EHABLP Clc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019349344 212020202 /nfs/dbraw/zinc/02/02/02/212020202.db2.gz UFUDPLZBTRPJSX-GOSISDBHSA-N 2 2 342.874 3.503 40 0 EHABLP Clc1ccccc1C[N@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 ZINC000019349344 212020207 /nfs/dbraw/zinc/02/02/07/212020207.db2.gz UFUDPLZBTRPJSX-GOSISDBHSA-N 2 2 342.874 3.503 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1ccc2c(c1)CC[C@@H](C)N2C ZINC000019719344 563856637 /nfs/dbraw/zinc/85/66/37/563856637.db2.gz DJHKTRLWKXYDPR-MRXNPFEDSA-N 2 2 349.482 3.916 40 0 EHABLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053864 563978741 /nfs/dbraw/zinc/97/87/41/563978741.db2.gz RYJFYUYRNDWHRB-CALCHBBNSA-N 2 2 330.472 3.759 40 0 EHABLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053864 563978742 /nfs/dbraw/zinc/97/87/42/563978742.db2.gz RYJFYUYRNDWHRB-CALCHBBNSA-N 2 2 330.472 3.759 40 0 EHABLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053864 563978743 /nfs/dbraw/zinc/97/87/43/563978743.db2.gz RYJFYUYRNDWHRB-CALCHBBNSA-N 2 2 330.472 3.759 40 0 EHABLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]3C2)s1 ZINC000096053864 563978744 /nfs/dbraw/zinc/97/87/44/563978744.db2.gz RYJFYUYRNDWHRB-CALCHBBNSA-N 2 2 330.472 3.759 40 0 EHABLP Cc1[nH+]cc(-c2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)n1C ZINC000257293527 564054910 /nfs/dbraw/zinc/05/49/10/564054910.db2.gz QPWULWNVJKYRJD-UHFFFAOYSA-N 2 2 347.466 3.565 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132154 564062179 /nfs/dbraw/zinc/06/21/79/564062179.db2.gz LACJGGGCLAIBRS-HXUWFJFHSA-N 2 2 337.398 3.731 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@@H+](Cc4ccco4)C2)C3)cc1 ZINC000306132154 564062180 /nfs/dbraw/zinc/06/21/80/564062180.db2.gz LACJGGGCLAIBRS-HXUWFJFHSA-N 2 2 337.398 3.731 40 0 EHABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccoc1 ZINC000036740328 213115290 /nfs/dbraw/zinc/11/52/90/213115290.db2.gz OAVLKCLHCOFSRO-UHFFFAOYSA-N 2 2 325.412 3.577 40 0 EHABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccoc1 ZINC000036740328 213115293 /nfs/dbraw/zinc/11/52/93/213115293.db2.gz OAVLKCLHCOFSRO-UHFFFAOYSA-N 2 2 325.412 3.577 40 0 EHABLP Cc1ncc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000019719810 212056673 /nfs/dbraw/zinc/05/66/73/212056673.db2.gz FFODLXNFERIEFX-CQSZACIVSA-N 2 2 326.469 3.783 40 0 EHABLP Cc1ncc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000019719810 212056675 /nfs/dbraw/zinc/05/66/75/212056675.db2.gz FFODLXNFERIEFX-CQSZACIVSA-N 2 2 326.469 3.783 40 0 EHABLP Cc1c2ccccc2oc1C[NH+]1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019566357 212043874 /nfs/dbraw/zinc/04/38/74/212043874.db2.gz LNSPZYYYAOQBNM-IYBDPMFKSA-N 2 2 342.483 3.815 40 0 EHABLP Cc1c2ccccc2oc1C[NH+]1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019566357 212043876 /nfs/dbraw/zinc/04/38/76/212043876.db2.gz LNSPZYYYAOQBNM-IYBDPMFKSA-N 2 2 342.483 3.815 40 0 EHABLP Cc1ccc(Oc2ccc(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc2)cc1 ZINC000001607909 563396095 /nfs/dbraw/zinc/39/60/95/563396095.db2.gz RKXXAJGWFQQHRH-UHFFFAOYSA-N 2 2 340.467 3.709 40 0 EHABLP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2cc(Cl)c(Cl)cc12 ZINC000031614156 563912889 /nfs/dbraw/zinc/91/28/89/563912889.db2.gz LJUAGDICZIDMII-NSHDSACASA-N 2 2 342.270 3.656 40 0 EHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cscn2)[nH+]1 ZINC000257333118 564055611 /nfs/dbraw/zinc/05/56/11/564055611.db2.gz YAFQIBSMZRGFBN-KRWDZBQOSA-N 2 2 330.501 3.591 40 0 EHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cscn2)[nH+]1 ZINC000257333118 564055612 /nfs/dbraw/zinc/05/56/12/564055612.db2.gz YAFQIBSMZRGFBN-KRWDZBQOSA-N 2 2 330.501 3.591 40 0 EHABLP CCN1c2ccc(-c3c[nH+]cn3CCCn3cc[nH+]c3C)cc2C[C@H]1C ZINC000036752045 213116194 /nfs/dbraw/zinc/11/61/94/213116194.db2.gz KKYYGCOSNWLBNM-MRXNPFEDSA-N 2 2 349.482 3.916 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072355665 216165163 /nfs/dbraw/zinc/16/51/63/216165163.db2.gz SFMLPNLRJJQLNJ-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072355665 216165168 /nfs/dbraw/zinc/16/51/68/216165168.db2.gz SFMLPNLRJJQLNJ-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP FC1(F)CC[N@H+](Cc2cccs2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239612 563980508 /nfs/dbraw/zinc/98/05/08/563980508.db2.gz KILZBJZKKXKMGR-KRWDZBQOSA-N 2 2 349.450 3.881 40 0 EHABLP FC1(F)CC[N@@H+](Cc2cccs2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096239612 563980509 /nfs/dbraw/zinc/98/05/09/563980509.db2.gz KILZBJZKKXKMGR-KRWDZBQOSA-N 2 2 349.450 3.881 40 0 EHABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000036740310 213114892 /nfs/dbraw/zinc/11/48/92/213114892.db2.gz ZJYARNHNGUMABK-UHFFFAOYSA-N 2 2 325.412 3.577 40 0 EHABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000036740310 213114893 /nfs/dbraw/zinc/11/48/93/213114893.db2.gz ZJYARNHNGUMABK-UHFFFAOYSA-N 2 2 325.412 3.577 40 0 EHABLP Cc1[nH+]cc(-c2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)n1C ZINC000257203995 244125743 /nfs/dbraw/zinc/12/57/43/244125743.db2.gz ASNYVMDSTQALKC-UHFFFAOYSA-N 2 2 347.466 3.565 40 0 EHABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000072378693 216181310 /nfs/dbraw/zinc/18/13/10/216181310.db2.gz LHPRIICSQIXILS-LJQANCHMSA-N 2 2 334.423 3.613 40 0 EHABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000072378693 216181312 /nfs/dbraw/zinc/18/13/12/216181312.db2.gz LHPRIICSQIXILS-LJQANCHMSA-N 2 2 334.423 3.613 40 0 EHABLP FC1(F)CC[N@H+](Cc2ccsc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051144 563978633 /nfs/dbraw/zinc/97/86/33/563978633.db2.gz RVFRAVALJQSUKR-QGZVFWFLSA-N 2 2 349.450 3.881 40 0 EHABLP FC1(F)CC[N@@H+](Cc2ccsc2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051144 563978634 /nfs/dbraw/zinc/97/86/34/563978634.db2.gz RVFRAVALJQSUKR-QGZVFWFLSA-N 2 2 349.450 3.881 40 0 EHABLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)s1 ZINC000096053865 563978722 /nfs/dbraw/zinc/97/87/22/563978722.db2.gz RYJFYUYRNDWHRB-IAGOWNOFSA-N 2 2 330.472 3.759 40 0 EHABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257278526 564054596 /nfs/dbraw/zinc/05/45/96/564054596.db2.gz OCPCHXBYUWMGIP-GOSISDBHSA-N 2 2 333.439 3.555 40 0 EHABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257278526 564054597 /nfs/dbraw/zinc/05/45/97/564054597.db2.gz OCPCHXBYUWMGIP-GOSISDBHSA-N 2 2 333.439 3.555 40 0 EHABLP CC1(C)CC([N@H+](Cc2ccncc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740527 213114441 /nfs/dbraw/zinc/11/44/41/213114441.db2.gz KWWBJDYJGHSRHR-UHFFFAOYSA-N 2 2 338.499 3.788 40 0 EHABLP CC1(C)CC([N@@H+](Cc2ccncc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740527 213114443 /nfs/dbraw/zinc/11/44/43/213114443.db2.gz KWWBJDYJGHSRHR-UHFFFAOYSA-N 2 2 338.499 3.788 40 0 EHABLP Clc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019349342 212019402 /nfs/dbraw/zinc/01/94/02/212019402.db2.gz UFUDPLZBTRPJSX-SFHVURJKSA-N 2 2 342.874 3.503 40 0 EHABLP Clc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 ZINC000019349342 212019405 /nfs/dbraw/zinc/01/94/05/212019405.db2.gz UFUDPLZBTRPJSX-SFHVURJKSA-N 2 2 342.874 3.503 40 0 EHABLP Clc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293425 212013415 /nfs/dbraw/zinc/01/34/15/212013415.db2.gz LHZBXFHAQVBEEN-GOSISDBHSA-N 2 2 342.874 3.503 40 0 EHABLP Clc1cccc(C[N@H+]2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)c1 ZINC000019293425 212013418 /nfs/dbraw/zinc/01/34/18/212013418.db2.gz LHZBXFHAQVBEEN-GOSISDBHSA-N 2 2 342.874 3.503 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@@H+]3Cc3cncs3)ccn2)n1C ZINC000257293205 564054937 /nfs/dbraw/zinc/05/49/37/564054937.db2.gz QONXJDGIZNLQNT-QGZVFWFLSA-N 2 2 339.468 3.584 40 0 EHABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@H+]3Cc3cncs3)ccn2)n1C ZINC000257293205 564054938 /nfs/dbraw/zinc/05/49/38/564054938.db2.gz QONXJDGIZNLQNT-QGZVFWFLSA-N 2 2 339.468 3.584 40 0 EHABLP CC1(C)CC([N@H+](Cc2ccoc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740552 213116333 /nfs/dbraw/zinc/11/63/33/213116333.db2.gz UERRXIPSTLAINH-UHFFFAOYSA-N 2 2 327.472 3.986 40 0 EHABLP CC1(C)CC([N@@H+](Cc2ccoc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740552 213116335 /nfs/dbraw/zinc/11/63/35/213116335.db2.gz UERRXIPSTLAINH-UHFFFAOYSA-N 2 2 327.472 3.986 40 0 EHABLP Cc1ccc(CN(Cc2c[nH+]cn2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116747 211295862 /nfs/dbraw/zinc/29/58/62/211295862.db2.gz YOBBTSMKPNDGDZ-UHFFFAOYSA-N 2 2 344.503 3.633 40 0 EHABLP Fc1cccc(N2CCCC3(CC[NH+](CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096071863 563979063 /nfs/dbraw/zinc/97/90/63/563979063.db2.gz KKCNSTPUTAYVHF-UHFFFAOYSA-N 2 2 345.506 3.604 40 0 EHABLP c1csc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139514 564062316 /nfs/dbraw/zinc/06/23/16/564062316.db2.gz SZFJIVDQMYWURB-IRXDYDNUSA-N 2 2 335.476 3.916 40 0 EHABLP c1csc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139514 564062317 /nfs/dbraw/zinc/06/23/17/564062317.db2.gz SZFJIVDQMYWURB-IRXDYDNUSA-N 2 2 335.476 3.916 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306140560 564062350 /nfs/dbraw/zinc/06/23/50/564062350.db2.gz UXFOWMYEUAUGSF-OAQYLSRUSA-N 2 2 348.425 3.533 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)C3)cc1 ZINC000306140560 564062351 /nfs/dbraw/zinc/06/23/51/564062351.db2.gz UXFOWMYEUAUGSF-OAQYLSRUSA-N 2 2 348.425 3.533 40 0 EHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH+]c2c1 ZINC000035446760 213028730 /nfs/dbraw/zinc/02/87/30/213028730.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 2 2 325.387 3.700 40 0 biogenic,in-vitro EHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH+]c2c1 ZINC000035446760 213028729 /nfs/dbraw/zinc/02/87/29/213028729.db2.gz SSLOCLBGNAPVHG-AWEZNQCLSA-N 2 2 325.387 3.700 40 0 biogenic,in-vitro EHABLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH]c4ccc(OC)cc4[nH+]3)C2)cc1 ZINC000035446730 213029280 /nfs/dbraw/zinc/02/92/80/213029280.db2.gz BSTCSZGDUUMUMN-HNNXBMFYSA-N 2 2 337.423 3.570 40 0 biogenic,in-vitro EHABLP COc1ccc(C[N@H+]2CC[C@H](c3[nH]c4ccc(OC)cc4[nH+]3)C2)cc1 ZINC000035446730 213029284 /nfs/dbraw/zinc/02/92/84/213029284.db2.gz BSTCSZGDUUMUMN-HNNXBMFYSA-N 2 2 337.423 3.570 40 0 biogenic,in-vitro EHABLP CC(C)(CO)[NH2+]CC(C)(C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019368997 212022703 /nfs/dbraw/zinc/02/27/03/212022703.db2.gz OBGGOLINWSHCGU-FQEVSTJZSA-N 2 2 340.511 3.699 40 0 EHABLP CCN1CCCc2cc(-c3c[nH+]cn3CCCn3cc[nH+]c3C)ccc21 ZINC000019719365 563856612 /nfs/dbraw/zinc/85/66/12/563856612.db2.gz ULGMAWXPPYMDDH-UHFFFAOYSA-N 2 2 349.482 3.918 40 0 EHABLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)s1 ZINC000096046950 563978182 /nfs/dbraw/zinc/97/81/82/563978182.db2.gz LYCVYMUENSUMOH-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)s1 ZINC000096046950 563978183 /nfs/dbraw/zinc/97/81/83/563978183.db2.gz LYCVYMUENSUMOH-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)s1 ZINC000096046950 563978184 /nfs/dbraw/zinc/97/81/84/563978184.db2.gz LYCVYMUENSUMOH-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)s1 ZINC000096046950 563978185 /nfs/dbraw/zinc/97/81/85/563978185.db2.gz LYCVYMUENSUMOH-HXUWFJFHSA-N 2 2 341.524 3.940 40 0 EHABLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053872 563978720 /nfs/dbraw/zinc/97/87/20/563978720.db2.gz PNYZITIRFMNGIG-ROUUACIJSA-N 2 2 328.406 3.529 40 0 EHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072350486 216162425 /nfs/dbraw/zinc/16/24/25/216162425.db2.gz NEBSZSYDLJGHRH-GOSISDBHSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072350486 216162427 /nfs/dbraw/zinc/16/24/27/216162427.db2.gz NEBSZSYDLJGHRH-GOSISDBHSA-N 2 2 347.466 3.604 40 0 EHABLP CC(C)(CO)[NH2+]CC(C)(C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019365996 212022740 /nfs/dbraw/zinc/02/27/40/212022740.db2.gz OBGGOLINWSHCGU-HXUWFJFHSA-N 2 2 340.511 3.699 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131212 564062174 /nfs/dbraw/zinc/06/21/74/564062174.db2.gz JYRBGMJZPPQNRI-HXUWFJFHSA-N 2 2 337.398 3.731 40 0 EHABLP Fc1ccc(-c2c[nH+]c3n2C[C@]2(CC[N@@H+](Cc4ccoc4)C2)C3)cc1 ZINC000306131212 564062175 /nfs/dbraw/zinc/06/21/75/564062175.db2.gz JYRBGMJZPPQNRI-HXUWFJFHSA-N 2 2 337.398 3.731 40 0 EHABLP Fc1cccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306129806 564062201 /nfs/dbraw/zinc/06/22/01/564062201.db2.gz INLOTNQKIDUMJG-RBUKOAKNSA-N 2 2 347.437 3.994 40 0 EHABLP Fc1cccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306129806 564062202 /nfs/dbraw/zinc/06/22/02/564062202.db2.gz INLOTNQKIDUMJG-RBUKOAKNSA-N 2 2 347.437 3.994 40 0 EHABLP COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)[nH+]c2c1 ZINC000072320962 216149282 /nfs/dbraw/zinc/14/92/82/216149282.db2.gz KPVCNCWWBZJPJD-ZOBUZTSGSA-N 2 2 327.472 3.927 40 0 biogenic,in-vitro EHABLP COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355489 216163568 /nfs/dbraw/zinc/16/35/68/216163568.db2.gz NSQDAIIUAOYYMH-GOSISDBHSA-N 2 2 334.423 3.613 40 0 EHABLP COc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355489 216163569 /nfs/dbraw/zinc/16/35/69/216163569.db2.gz NSQDAIIUAOYYMH-GOSISDBHSA-N 2 2 334.423 3.613 40 0 EHABLP COCC[N@H+](CC1(c2ccc(F)cc2)CCCC1)C1CC[NH+](C)CC1 ZINC000019588127 212049006 /nfs/dbraw/zinc/04/90/06/212049006.db2.gz XVSZQPFXOHIMAE-UHFFFAOYSA-N 2 2 348.506 3.680 40 0 EHABLP COCC[N@@H+](CC1(c2ccc(F)cc2)CCCC1)C1CC[NH+](C)CC1 ZINC000019588127 212049008 /nfs/dbraw/zinc/04/90/08/212049008.db2.gz XVSZQPFXOHIMAE-UHFFFAOYSA-N 2 2 348.506 3.680 40 0 EHABLP Fc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049316 563978409 /nfs/dbraw/zinc/97/84/09/563978409.db2.gz KSFWPCUXSAPKTK-UHFFFAOYSA-N 2 2 339.458 3.851 40 0 EHABLP Fc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049316 563978410 /nfs/dbraw/zinc/97/84/10/563978410.db2.gz KSFWPCUXSAPKTK-UHFFFAOYSA-N 2 2 339.458 3.851 40 0 EHABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000257326090 564055517 /nfs/dbraw/zinc/05/55/17/564055517.db2.gz WVTJYUMRDDUYIJ-GOSISDBHSA-N 2 2 347.466 3.565 40 0 EHABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000257326090 564055518 /nfs/dbraw/zinc/05/55/18/564055518.db2.gz WVTJYUMRDDUYIJ-GOSISDBHSA-N 2 2 347.466 3.565 40 0 EHABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378685 216181804 /nfs/dbraw/zinc/18/18/04/216181804.db2.gz MVODCBVWAMWISG-GOSISDBHSA-N 2 2 348.450 3.656 40 0 EHABLP COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378685 216181806 /nfs/dbraw/zinc/18/18/06/216181806.db2.gz MVODCBVWAMWISG-GOSISDBHSA-N 2 2 348.450 3.656 40 0 EHABLP C=Cn1ncc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)c1C ZINC000043277741 563925524 /nfs/dbraw/zinc/92/55/24/563925524.db2.gz LIYAXQDCXWCWDK-IBGZPJMESA-N 2 2 339.487 3.737 40 0 EHABLP C=Cn1ncc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)c1C ZINC000043277741 563925525 /nfs/dbraw/zinc/92/55/25/563925525.db2.gz LIYAXQDCXWCWDK-IBGZPJMESA-N 2 2 339.487 3.737 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1ccc2c(c1)C[C@@H](C)N2C ZINC000019719462 212057581 /nfs/dbraw/zinc/05/75/81/212057581.db2.gz SDOIIZQBBZMWNT-OAHLLOKOSA-N 2 2 335.455 3.526 40 0 EHABLP CC1(C)CC(N(Cc2c[nH+]c[nH]2)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000012147055 211306735 /nfs/dbraw/zinc/30/67/35/211306735.db2.gz FVZPNOASNHEPDH-UHFFFAOYSA-N 2 2 344.478 3.860 40 0 EHABLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213397 536339855 /nfs/dbraw/zinc/33/98/55/536339855.db2.gz CHKKSRHAGLSWMR-LJQANCHMSA-N 2 2 343.446 3.636 40 0 EHABLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257213397 536339857 /nfs/dbraw/zinc/33/98/57/536339857.db2.gz CHKKSRHAGLSWMR-LJQANCHMSA-N 2 2 343.446 3.636 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1ccc2c(c1)CCCN2C ZINC000019654592 563856462 /nfs/dbraw/zinc/85/64/62/563856462.db2.gz CFVPRJHAFNSGIV-UHFFFAOYSA-N 2 2 335.455 3.528 40 0 EHABLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000096053871 563978685 /nfs/dbraw/zinc/97/86/85/563978685.db2.gz PNYZITIRFMNGIG-QZTJIDSGSA-N 2 2 328.406 3.529 40 0 EHABLP COc1c(C)cccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366770 216171713 /nfs/dbraw/zinc/17/17/13/216171713.db2.gz OHTUGUDILZUIKQ-LJQANCHMSA-N 2 2 348.450 3.921 40 0 EHABLP COc1c(C)cccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366770 216171716 /nfs/dbraw/zinc/17/17/16/216171716.db2.gz OHTUGUDILZUIKQ-LJQANCHMSA-N 2 2 348.450 3.921 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378627 216181825 /nfs/dbraw/zinc/18/18/25/216181825.db2.gz BHVOOFYJSOMJFH-GOSISDBHSA-N 2 2 348.454 3.518 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378627 216181827 /nfs/dbraw/zinc/18/18/27/216181827.db2.gz BHVOOFYJSOMJFH-GOSISDBHSA-N 2 2 348.454 3.518 40 0 EHABLP CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(C[NH+](C)C)cc3)ccc21 ZINC000019657487 212054458 /nfs/dbraw/zinc/05/44/58/212054458.db2.gz STSFJJXTXVOBPJ-UHFFFAOYSA-N 2 2 336.439 3.679 40 0 EHABLP Cc1ncsc1C[N@H+]1CCC[C@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257334816 564055665 /nfs/dbraw/zinc/05/56/65/564055665.db2.gz YHMIXYQJKYHLSW-INIZCTEOSA-N 2 2 339.468 3.584 40 0 EHABLP Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257334816 564055666 /nfs/dbraw/zinc/05/56/66/564055666.db2.gz YHMIXYQJKYHLSW-INIZCTEOSA-N 2 2 339.468 3.584 40 0 EHABLP Fc1cccc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129804 564062197 /nfs/dbraw/zinc/06/21/97/564062197.db2.gz INLOTNQKIDUMJG-MOPGFXCFSA-N 2 2 347.437 3.994 40 0 EHABLP Fc1cccc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306129804 564062198 /nfs/dbraw/zinc/06/21/98/564062198.db2.gz INLOTNQKIDUMJG-MOPGFXCFSA-N 2 2 347.437 3.994 40 0 EHABLP c1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cs1 ZINC000306138284 564062346 /nfs/dbraw/zinc/06/23/46/564062346.db2.gz RUEIFCZMGVIEFB-QZTJIDSGSA-N 2 2 335.476 3.916 40 0 EHABLP c1cc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)cs1 ZINC000306138284 564062347 /nfs/dbraw/zinc/06/23/47/564062347.db2.gz RUEIFCZMGVIEFB-QZTJIDSGSA-N 2 2 335.476 3.916 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072355666 216163725 /nfs/dbraw/zinc/16/37/25/216163725.db2.gz SFMLPNLRJJQLNJ-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072355666 216163726 /nfs/dbraw/zinc/16/37/26/216163726.db2.gz SFMLPNLRJJQLNJ-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378665 216181341 /nfs/dbraw/zinc/18/13/41/216181341.db2.gz VBOUGGBPGJGUSF-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378665 216181343 /nfs/dbraw/zinc/18/13/43/216181343.db2.gz VBOUGGBPGJGUSF-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257264160 244355817 /nfs/dbraw/zinc/35/58/17/244355817.db2.gz LTEFHVCQBQVKFY-IBGZPJMESA-N 2 2 338.499 3.708 40 0 EHABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257264160 244355822 /nfs/dbraw/zinc/35/58/22/244355822.db2.gz LTEFHVCQBQVKFY-IBGZPJMESA-N 2 2 338.499 3.708 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378640 216181776 /nfs/dbraw/zinc/18/17/76/216181776.db2.gz GOQJYYXGNLCWIK-SFHVURJKSA-N 2 2 348.454 3.518 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378640 216181778 /nfs/dbraw/zinc/18/17/78/216181778.db2.gz GOQJYYXGNLCWIK-SFHVURJKSA-N 2 2 348.454 3.518 40 0 EHABLP c1ncn(CCC[NH+]2CCCCC2)c1-c1c[nH+]cn1Cc1ccccc1 ZINC000019719341 212056872 /nfs/dbraw/zinc/05/68/72/212056872.db2.gz LSGSZXICWRRURB-UHFFFAOYSA-N 2 2 349.482 3.671 40 0 EHABLP c1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)cs1 ZINC000096206100 563980128 /nfs/dbraw/zinc/98/01/28/563980128.db2.gz UCCQBDWQTKSKTN-MJGOQNOKSA-N 2 2 343.496 3.626 40 0 EHABLP c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)cs1 ZINC000096206100 563980129 /nfs/dbraw/zinc/98/01/29/563980129.db2.gz UCCQBDWQTKSKTN-MJGOQNOKSA-N 2 2 343.496 3.626 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3ccco3)C1)C2 ZINC000306140494 564062280 /nfs/dbraw/zinc/06/22/80/564062280.db2.gz UVAPGIPVBWBGQO-NRFANRHFSA-N 2 2 349.434 3.600 40 0 EHABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3ccco3)C1)C2 ZINC000306140494 564062281 /nfs/dbraw/zinc/06/22/81/564062281.db2.gz UVAPGIPVBWBGQO-NRFANRHFSA-N 2 2 349.434 3.600 40 0 EHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072350487 216162614 /nfs/dbraw/zinc/16/26/14/216162614.db2.gz NEBSZSYDLJGHRH-SFHVURJKSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072350487 216162616 /nfs/dbraw/zinc/16/26/16/216162616.db2.gz NEBSZSYDLJGHRH-SFHVURJKSA-N 2 2 347.466 3.604 40 0 EHABLP CC(C)c1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019453292 212027855 /nfs/dbraw/zinc/02/78/55/212027855.db2.gz DHHIPJIRFSCLHO-HXUWFJFHSA-N 2 2 336.483 3.583 40 0 EHABLP CC(C)c1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000019453292 212027857 /nfs/dbraw/zinc/02/78/57/212027857.db2.gz DHHIPJIRFSCLHO-HXUWFJFHSA-N 2 2 336.483 3.583 40 0 EHABLP c1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cs1 ZINC000096049312 563978426 /nfs/dbraw/zinc/97/84/26/563978426.db2.gz GFSVHQFVJQHMPG-UHFFFAOYSA-N 2 2 327.497 3.774 40 0 EHABLP c1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cs1 ZINC000096049312 563978427 /nfs/dbraw/zinc/97/84/27/563978427.db2.gz GFSVHQFVJQHMPG-UHFFFAOYSA-N 2 2 327.497 3.774 40 0 EHABLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216656 563980346 /nfs/dbraw/zinc/98/03/46/563980346.db2.gz VFXBYIJWMFHSBX-NRFANRHFSA-N 2 2 337.467 3.583 40 0 EHABLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216656 563980347 /nfs/dbraw/zinc/98/03/47/563980347.db2.gz VFXBYIJWMFHSBX-NRFANRHFSA-N 2 2 337.467 3.583 40 0 EHABLP Cc1cccc(Nc2ccc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)nc2)[nH+]1 ZINC000072353102 216161792 /nfs/dbraw/zinc/16/17/92/216161792.db2.gz CMELGRMNBIQSAG-IBGZPJMESA-N 2 2 348.454 3.599 40 0 EHABLP Cc1cccc(Nc2ccc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc2)[nH+]1 ZINC000072353102 216161795 /nfs/dbraw/zinc/16/17/95/216161795.db2.gz CMELGRMNBIQSAG-IBGZPJMESA-N 2 2 348.454 3.599 40 0 EHABLP Cn1cc[nH+]c1CN(Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116749 211296271 /nfs/dbraw/zinc/29/62/71/211296271.db2.gz AWSRLVIDUUVGFT-UHFFFAOYSA-N 2 2 340.515 3.732 40 0 EHABLP Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)n1 ZINC000306128669 568420022 /nfs/dbraw/zinc/42/00/22/568420022.db2.gz HHUPPPUIGJYJJO-RTBURBONSA-N 2 2 344.462 3.558 40 0 EHABLP Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)n1 ZINC000306128669 568420025 /nfs/dbraw/zinc/42/00/25/568420025.db2.gz HHUPPPUIGJYJJO-RTBURBONSA-N 2 2 344.462 3.558 40 0 EHABLP Cc1cccc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306128668 1137871332 /nfs/dbraw/zinc/87/13/32/1137871332.db2.gz HHUPPPUIGJYJJO-RBUKOAKNSA-N 2 2 344.462 3.558 40 0 EHABLP Cc1cccc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)n1 ZINC000306128668 1137871333 /nfs/dbraw/zinc/87/13/33/1137871333.db2.gz HHUPPPUIGJYJJO-RBUKOAKNSA-N 2 2 344.462 3.558 40 0 EHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](CCCc4ccccc4)C3)[nH+]c2c1 ZINC000035446766 213029407 /nfs/dbraw/zinc/02/94/07/213029407.db2.gz RYQOVKWELRHSDR-KRWDZBQOSA-N 2 2 335.451 3.994 40 0 biogenic,in-vitro EHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](CCCc4ccccc4)C3)[nH+]c2c1 ZINC000035446766 213029411 /nfs/dbraw/zinc/02/94/11/213029411.db2.gz RYQOVKWELRHSDR-KRWDZBQOSA-N 2 2 335.451 3.994 40 0 biogenic,in-vitro EHABLP Cc1ccc(CN(Cc2[nH+]ccn2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116743 211296364 /nfs/dbraw/zinc/29/63/64/211296364.db2.gz NWKUKWCBRVWYJC-UHFFFAOYSA-N 2 2 344.503 3.633 40 0 EHABLP Cc1ccc(CN(Cc2[nH]c[nH+]c2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116744 211295374 /nfs/dbraw/zinc/29/53/74/211295374.db2.gz IFWLLSJHQCZISO-UHFFFAOYSA-N 2 2 344.503 3.931 40 0 EHABLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296352 564055005 /nfs/dbraw/zinc/05/50/05/564055005.db2.gz RCJRTGKRQNAIRS-LJQANCHMSA-N 2 2 343.446 3.636 40 0 EHABLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ncc(Cc3ccccc3F)o2)CC1 ZINC000257296352 564055006 /nfs/dbraw/zinc/05/50/06/564055006.db2.gz RCJRTGKRQNAIRS-LJQANCHMSA-N 2 2 343.446 3.636 40 0 EHABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000072378694 216181834 /nfs/dbraw/zinc/18/18/34/216181834.db2.gz LHPRIICSQIXILS-IBGZPJMESA-N 2 2 334.423 3.613 40 0 EHABLP COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000072378694 216181835 /nfs/dbraw/zinc/18/18/35/216181835.db2.gz LHPRIICSQIXILS-IBGZPJMESA-N 2 2 334.423 3.613 40 0 EHABLP CC1(C)CC([N@H+](Cc2ccncc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000019461049 212030766 /nfs/dbraw/zinc/03/07/66/212030766.db2.gz WPQXVXCKHAHIJC-UHFFFAOYSA-N 2 2 338.499 3.788 40 0 EHABLP CC1(C)CC([N@@H+](Cc2ccncc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000019461049 212030769 /nfs/dbraw/zinc/03/07/69/212030769.db2.gz WPQXVXCKHAHIJC-UHFFFAOYSA-N 2 2 338.499 3.788 40 0 EHABLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053870 563978735 /nfs/dbraw/zinc/97/87/35/563978735.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 2 2 328.406 3.529 40 0 EHABLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053870 563978736 /nfs/dbraw/zinc/97/87/36/563978736.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 2 2 328.406 3.529 40 0 EHABLP Fc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053870 563978737 /nfs/dbraw/zinc/97/87/37/563978737.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 2 2 328.406 3.529 40 0 EHABLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096053870 563978738 /nfs/dbraw/zinc/97/87/38/563978738.db2.gz PNYZITIRFMNGIG-HDICACEKSA-N 2 2 328.406 3.529 40 0 EHABLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980299 /nfs/dbraw/zinc/98/02/99/563980299.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 2 2 328.456 3.978 40 0 EHABLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980300 /nfs/dbraw/zinc/98/03/00/563980300.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 2 2 328.456 3.978 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980301 /nfs/dbraw/zinc/98/03/01/563980301.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 2 2 328.456 3.978 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215874 563980302 /nfs/dbraw/zinc/98/03/02/563980302.db2.gz SCYCQSCMSOPXBO-FQEVSTJZSA-N 2 2 328.456 3.978 40 0 EHABLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216652 563980338 /nfs/dbraw/zinc/98/03/38/563980338.db2.gz VFXBYIJWMFHSBX-OAQYLSRUSA-N 2 2 337.467 3.583 40 0 EHABLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)cc1 ZINC000096216652 563980339 /nfs/dbraw/zinc/98/03/39/563980339.db2.gz VFXBYIJWMFHSBX-OAQYLSRUSA-N 2 2 337.467 3.583 40 0 EHABLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215996 563980384 /nfs/dbraw/zinc/98/03/84/563980384.db2.gz OEJCXJUMWYHSFS-OAQYLSRUSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215996 563980385 /nfs/dbraw/zinc/98/03/85/563980385.db2.gz OEJCXJUMWYHSFS-OAQYLSRUSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215996 563980386 /nfs/dbraw/zinc/98/03/86/563980386.db2.gz OEJCXJUMWYHSFS-OAQYLSRUSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215996 563980387 /nfs/dbraw/zinc/98/03/87/563980387.db2.gz OEJCXJUMWYHSFS-OAQYLSRUSA-N 2 2 339.483 3.780 40 0 EHABLP Cc1cccc(C[NH+]2CCC3(C[C@@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221369 563980431 /nfs/dbraw/zinc/98/04/31/563980431.db2.gz GJGYNYBAKZMIHI-LJQANCHMSA-N 2 2 337.467 3.626 40 0 EHABLP CNc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2scnc2C)[nH+]1 ZINC000257302107 564055085 /nfs/dbraw/zinc/05/50/85/564055085.db2.gz SBOMVIBNZZAMGX-MRXNPFEDSA-N 2 2 330.501 3.876 40 0 EHABLP CNc1cccc(CC[C@H]2CCCC[N@H+]2Cc2scnc2C)[nH+]1 ZINC000257302107 564055086 /nfs/dbraw/zinc/05/50/86/564055086.db2.gz SBOMVIBNZZAMGX-MRXNPFEDSA-N 2 2 330.501 3.876 40 0 EHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cscn2)[nH+]1 ZINC000257333119 564055580 /nfs/dbraw/zinc/05/55/80/564055580.db2.gz YAFQIBSMZRGFBN-QGZVFWFLSA-N 2 2 330.501 3.591 40 0 EHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2cscn2)[nH+]1 ZINC000257333119 564055581 /nfs/dbraw/zinc/05/55/81/564055581.db2.gz YAFQIBSMZRGFBN-QGZVFWFLSA-N 2 2 330.501 3.591 40 0 EHABLP Cc1cccc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128666 1137871345 /nfs/dbraw/zinc/87/13/45/1137871345.db2.gz HHUPPPUIGJYJJO-MOPGFXCFSA-N 2 2 344.462 3.558 40 0 EHABLP Cc1cccc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)n1 ZINC000306128666 1137871346 /nfs/dbraw/zinc/87/13/46/1137871346.db2.gz HHUPPPUIGJYJJO-MOPGFXCFSA-N 2 2 344.462 3.558 40 0 EHABLP Cc1nc[nH]c1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000012116653 211296768 /nfs/dbraw/zinc/29/67/68/211296768.db2.gz FHDJSLDXAOJHOK-UHFFFAOYSA-N 2 2 343.862 3.661 40 0 EHABLP Cc1nc[nH]c1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000012116653 211296772 /nfs/dbraw/zinc/29/67/72/211296772.db2.gz FHDJSLDXAOJHOK-UHFFFAOYSA-N 2 2 343.862 3.661 40 0 EHABLP Cc1ccc(CN(Cc2[nH]cc[nH+]2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000012116745 211296529 /nfs/dbraw/zinc/29/65/29/211296529.db2.gz KXEDECGRWFXRRH-UHFFFAOYSA-N 2 2 330.476 3.623 40 0 EHABLP CCn1cncc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)s1 ZINC000043277893 563925632 /nfs/dbraw/zinc/92/56/32/563925632.db2.gz XKCPDWFSOSTELA-UHFFFAOYSA-N 2 2 343.500 3.562 40 0 EHABLP CCn1cncc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)s1 ZINC000043277893 563925633 /nfs/dbraw/zinc/92/56/33/563925633.db2.gz XKCPDWFSOSTELA-UHFFFAOYSA-N 2 2 343.500 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072379065 216180184 /nfs/dbraw/zinc/18/01/84/216180184.db2.gz GQGPIJRMKWJHAL-GOSISDBHSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072379065 216180187 /nfs/dbraw/zinc/18/01/87/216180187.db2.gz GQGPIJRMKWJHAL-GOSISDBHSA-N 2 2 347.466 3.604 40 0 EHABLP Cc1[nH+]c(C2(C)CC[NH+](Cc3cccnc3)CC2)c2sccn12 ZINC000257258470 244291177 /nfs/dbraw/zinc/29/11/77/244291177.db2.gz KUBDAFMLCRKNKT-UHFFFAOYSA-N 2 2 326.469 3.653 40 0 EHABLP Cc1[nH+]ccn1CCCn1c[nH+]cc1-c1ccc2c(c1)CC[C@H](C)N2C ZINC000019719345 563856645 /nfs/dbraw/zinc/85/66/45/563856645.db2.gz DJHKTRLWKXYDPR-INIZCTEOSA-N 2 2 349.482 3.916 40 0 EHABLP Cc1ccc(C)c([C@H](O)C[NH+]2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000019131999 563854497 /nfs/dbraw/zinc/85/44/97/563854497.db2.gz JDLHDBRUAOZPLI-OAQYLSRUSA-N 2 2 330.516 3.533 40 0 EHABLP Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CC[N@H+](CC3CC3)C2)[nH+]1 ZINC000257335121 564055681 /nfs/dbraw/zinc/05/56/81/564055681.db2.gz YISZPKXGVDYBIH-OAHLLOKOSA-N 2 2 326.419 3.867 40 0 EHABLP Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000257335121 564055682 /nfs/dbraw/zinc/05/56/82/564055682.db2.gz YISZPKXGVDYBIH-OAHLLOKOSA-N 2 2 326.419 3.867 40 0 EHABLP c1csc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139515 564062311 /nfs/dbraw/zinc/06/23/11/564062311.db2.gz SZFJIVDQMYWURB-SJORKVTESA-N 2 2 335.476 3.916 40 0 EHABLP c1csc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306139515 564062312 /nfs/dbraw/zinc/06/23/12/564062312.db2.gz SZFJIVDQMYWURB-SJORKVTESA-N 2 2 335.476 3.916 40 0 EHABLP CC1(C)CC([NH+](Cc2ccncc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740547 213116206 /nfs/dbraw/zinc/11/62/06/213116206.db2.gz TVDYNGVTKIDZNB-UHFFFAOYSA-N 2 2 338.499 3.788 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378641 216180502 /nfs/dbraw/zinc/18/05/02/216180502.db2.gz GOQJYYXGNLCWIK-GOSISDBHSA-N 2 2 348.454 3.518 40 0 EHABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378641 216180506 /nfs/dbraw/zinc/18/05/06/216180506.db2.gz GOQJYYXGNLCWIK-GOSISDBHSA-N 2 2 348.454 3.518 40 0 EHABLP Fc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378645 216180550 /nfs/dbraw/zinc/18/05/50/216180550.db2.gz XSMJLORTTPPSQU-KRWDZBQOSA-N 2 2 336.414 3.786 40 0 EHABLP Fc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072378645 216180552 /nfs/dbraw/zinc/18/05/52/216180552.db2.gz XSMJLORTTPPSQU-KRWDZBQOSA-N 2 2 336.414 3.786 40 0 EHABLP C[NH+](C)CCC[N@H+](Cc1ccccn1)Cc1ccnc2ccccc12 ZINC000019582223 212047048 /nfs/dbraw/zinc/04/70/48/212047048.db2.gz HBTKWZURILGFGE-UHFFFAOYSA-N 2 2 334.467 3.584 40 0 EHABLP C[NH+](C)CCC[N@@H+](Cc1ccccn1)Cc1ccnc2ccccc12 ZINC000019582223 212047050 /nfs/dbraw/zinc/04/70/50/212047050.db2.gz HBTKWZURILGFGE-UHFFFAOYSA-N 2 2 334.467 3.584 40 0 EHABLP FCC[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccco1)c1ccccc1O2 ZINC000096242733 563980557 /nfs/dbraw/zinc/98/05/57/563980557.db2.gz FYRWYLPGCQIVHY-GOSISDBHSA-N 2 2 344.430 3.697 40 0 EHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH+]c2c1 ZINC000035446754 213028304 /nfs/dbraw/zinc/02/83/04/213028304.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 2 2 343.377 3.839 40 0 biogenic,in-vitro EHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH+]c2c1 ZINC000035446754 213028301 /nfs/dbraw/zinc/02/83/01/213028301.db2.gz MXFMOTDEWPHQOX-ZDUSSCGKSA-N 2 2 343.377 3.839 40 0 biogenic,in-vitro EHABLP COc1c(C)cccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366771 216172243 /nfs/dbraw/zinc/17/22/43/216172243.db2.gz OHTUGUDILZUIKQ-IBGZPJMESA-N 2 2 348.450 3.921 40 0 EHABLP COc1c(C)cccc1C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366771 216172245 /nfs/dbraw/zinc/17/22/45/216172245.db2.gz OHTUGUDILZUIKQ-IBGZPJMESA-N 2 2 348.450 3.921 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379061 216180366 /nfs/dbraw/zinc/18/03/66/216180366.db2.gz YYIVOVXIFDUAJS-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072379061 216180369 /nfs/dbraw/zinc/18/03/69/216180369.db2.gz YYIVOVXIFDUAJS-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378664 216181900 /nfs/dbraw/zinc/18/19/00/216181900.db2.gz VBOUGGBPGJGUSF-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378664 216181902 /nfs/dbraw/zinc/18/19/02/216181902.db2.gz VBOUGGBPGJGUSF-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP Cn1c[nH+]cc1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000257235552 244225771 /nfs/dbraw/zinc/22/57/71/244225771.db2.gz GYHRYLIQBIVGJM-GOSISDBHSA-N 2 2 332.451 3.862 40 0 EHABLP Cn1c[nH+]cc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257235552 244225779 /nfs/dbraw/zinc/22/57/79/244225779.db2.gz GYHRYLIQBIVGJM-GOSISDBHSA-N 2 2 332.451 3.862 40 0 EHABLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980392 /nfs/dbraw/zinc/98/03/92/563980392.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 2 2 328.456 3.978 40 0 EHABLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980393 /nfs/dbraw/zinc/98/03/93/563980393.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 2 2 328.456 3.978 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980394 /nfs/dbraw/zinc/98/03/94/563980394.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 2 2 328.456 3.978 40 0 EHABLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C)o2)C3)o1 ZINC000096215876 563980395 /nfs/dbraw/zinc/98/03/95/563980395.db2.gz SCYCQSCMSOPXBO-HXUWFJFHSA-N 2 2 328.456 3.978 40 0 EHABLP COc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355490 216164300 /nfs/dbraw/zinc/16/43/00/216164300.db2.gz NSQDAIIUAOYYMH-SFHVURJKSA-N 2 2 334.423 3.613 40 0 EHABLP COc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072355490 216164303 /nfs/dbraw/zinc/16/43/03/216164303.db2.gz NSQDAIIUAOYYMH-SFHVURJKSA-N 2 2 334.423 3.613 40 0 EHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cncs2)[nH+]1 ZINC000257241769 244245788 /nfs/dbraw/zinc/24/57/88/244245788.db2.gz HZNIRTSXKUKJIE-MRXNPFEDSA-N 2 2 330.501 3.591 40 0 EHABLP CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2cncs2)[nH+]1 ZINC000257241769 244245797 /nfs/dbraw/zinc/24/57/97/244245797.db2.gz HZNIRTSXKUKJIE-MRXNPFEDSA-N 2 2 330.501 3.591 40 0 EHABLP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2c(Cl)ccc(Cl)c12 ZINC000001591895 563395121 /nfs/dbraw/zinc/39/51/21/563395121.db2.gz BZWHSBUIROLLNN-LLVKDONJSA-N 2 2 342.270 3.656 40 0 EHABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378696 216181946 /nfs/dbraw/zinc/18/19/46/216181946.db2.gz DRNOBJIIXCCZKN-HXUWFJFHSA-N 2 2 348.450 3.921 40 0 EHABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378696 216181948 /nfs/dbraw/zinc/18/19/48/216181948.db2.gz DRNOBJIIXCCZKN-HXUWFJFHSA-N 2 2 348.450 3.921 40 0 EHABLP COc1cccc([C@H]2C[N@H+](Cc3cccc(C)c3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019235077 212007540 /nfs/dbraw/zinc/00/75/40/212007540.db2.gz XDXPATJFMLYTMF-YPAWHYETSA-N 2 2 336.479 3.724 40 0 EHABLP COc1cccc([C@H]2C[N@@H+](Cc3cccc(C)c3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019235077 212007542 /nfs/dbraw/zinc/00/75/42/212007542.db2.gz XDXPATJFMLYTMF-YPAWHYETSA-N 2 2 336.479 3.724 40 0 EHABLP Fc1ccc(C[NH+]2CCC(c3cccc(-n4cc[nH+]c4)n3)CC2)cc1 ZINC000072379081 216181397 /nfs/dbraw/zinc/18/13/97/216181397.db2.gz DBMMXOXHRSJAMX-UHFFFAOYSA-N 2 2 336.414 3.786 40 0 EHABLP CCc1ccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1 ZINC000023805459 212395600 /nfs/dbraw/zinc/39/56/00/212395600.db2.gz CXZWGUBSCBLBEN-JOCHJYFZSA-N 2 2 348.494 3.827 40 0 EHABLP Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(C[NH+]3CCCC3)n2)s1 ZINC000257211724 244154077 /nfs/dbraw/zinc/15/40/77/244154077.db2.gz CADLXPWKYBYRND-LJQANCHMSA-N 2 2 342.512 3.779 40 0 EHABLP Cc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(C[NH+]3CCCC3)n2)s1 ZINC000257211724 244154084 /nfs/dbraw/zinc/15/40/84/244154084.db2.gz CADLXPWKYBYRND-LJQANCHMSA-N 2 2 342.512 3.779 40 0 EHABLP c1ccc(C[N@@H+]2CCC[C@]3(C2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000019372014 212022246 /nfs/dbraw/zinc/02/22/46/212022246.db2.gz LUTQFAMQSNTGNR-JOCHJYFZSA-N 2 2 331.463 3.805 40 0 EHABLP c1ccc(C[N@H+]2CCC[C@]3(C2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000019372014 212022250 /nfs/dbraw/zinc/02/22/50/212022250.db2.gz LUTQFAMQSNTGNR-JOCHJYFZSA-N 2 2 331.463 3.805 40 0 EHABLP CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1 ZINC000008325502 563626504 /nfs/dbraw/zinc/62/65/04/563626504.db2.gz QSNPFAXRMYFMFO-UHFFFAOYSA-N 2 2 342.483 3.706 40 0 EHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3cccs3)CC1)[N@@H+](C)CC2 ZINC000096100209 563979217 /nfs/dbraw/zinc/97/92/17/563979217.db2.gz ZHAYPRTVFVKJOG-UHFFFAOYSA-N 2 2 342.508 3.736 40 0 EHABLP COc1ccc2c(c1)C1(CC[NH+](Cc3cccs3)CC1)[N@H+](C)CC2 ZINC000096100209 563979218 /nfs/dbraw/zinc/97/92/18/563979218.db2.gz ZHAYPRTVFVKJOG-UHFFFAOYSA-N 2 2 342.508 3.736 40 0 EHABLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000096216124 563980310 /nfs/dbraw/zinc/98/03/10/563980310.db2.gz DENHUKMGXMDAAD-QFIPXVFZSA-N 2 2 335.495 3.878 40 0 EHABLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000096216124 563980311 /nfs/dbraw/zinc/98/03/11/563980311.db2.gz DENHUKMGXMDAAD-QFIPXVFZSA-N 2 2 335.495 3.878 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216124 563980312 /nfs/dbraw/zinc/98/03/12/563980312.db2.gz DENHUKMGXMDAAD-QFIPXVFZSA-N 2 2 335.495 3.878 40 0 EHABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000096216124 563980313 /nfs/dbraw/zinc/98/03/13/563980313.db2.gz DENHUKMGXMDAAD-QFIPXVFZSA-N 2 2 335.495 3.878 40 0 EHABLP FCC[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccoc1)c1ccccc1O2 ZINC000096242732 563980580 /nfs/dbraw/zinc/98/05/80/563980580.db2.gz LWSHMZKXASYVGM-SFHVURJKSA-N 2 2 344.430 3.697 40 0 EHABLP Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CC[N@H+](CC3CC3)C2)[nH+]1 ZINC000257335120 564055643 /nfs/dbraw/zinc/05/56/43/564055643.db2.gz YISZPKXGVDYBIH-HNNXBMFYSA-N 2 2 326.419 3.867 40 0 EHABLP Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000257335120 564055644 /nfs/dbraw/zinc/05/56/44/564055644.db2.gz YISZPKXGVDYBIH-HNNXBMFYSA-N 2 2 326.419 3.867 40 0 EHABLP Fc1cccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)c1 ZINC000306129807 564062163 /nfs/dbraw/zinc/06/21/63/564062163.db2.gz INLOTNQKIDUMJG-RTBURBONSA-N 2 2 347.437 3.994 40 0 EHABLP Fc1cccc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)c1 ZINC000306129807 564062164 /nfs/dbraw/zinc/06/21/64/564062164.db2.gz INLOTNQKIDUMJG-RTBURBONSA-N 2 2 347.437 3.994 40 0 EHABLP CC1(C)CC(N(Cc2[nH]cc[nH+]2)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000012116750 211296000 /nfs/dbraw/zinc/29/60/00/211296000.db2.gz VZFLGXOKINFHTN-UHFFFAOYSA-N 2 2 326.488 3.721 40 0 EHABLP FC1(F)CC[N@H+](Cc2cccs2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239613 563980521 /nfs/dbraw/zinc/98/05/21/563980521.db2.gz KILZBJZKKXKMGR-QGZVFWFLSA-N 2 2 349.450 3.881 40 0 EHABLP FC1(F)CC[N@@H+](Cc2cccs2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096239613 563980522 /nfs/dbraw/zinc/98/05/22/563980522.db2.gz KILZBJZKKXKMGR-QGZVFWFLSA-N 2 2 349.450 3.881 40 0 EHABLP C=Cn1ncc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2C)c1C ZINC000036740165 213115174 /nfs/dbraw/zinc/11/51/74/213115174.db2.gz AFKNUTJPAZADNQ-UHFFFAOYSA-N 2 2 349.482 3.889 40 0 EHABLP C=Cn1ncc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2C)c1C ZINC000036740165 213115177 /nfs/dbraw/zinc/11/51/77/213115177.db2.gz AFKNUTJPAZADNQ-UHFFFAOYSA-N 2 2 349.482 3.889 40 0 EHABLP CCN1c2ccc(-c3c[nH+]cn3CCCn3cc[nH+]c3C)cc2C[C@@H]1C ZINC000036752042 213116083 /nfs/dbraw/zinc/11/60/83/213116083.db2.gz KKYYGCOSNWLBNM-INIZCTEOSA-N 2 2 349.482 3.916 40 0 EHABLP CCc1[nH+]ccn1-c1nccnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000072350485 216162451 /nfs/dbraw/zinc/16/24/51/216162451.db2.gz MDJYAEPWHNNIEJ-UHFFFAOYSA-N 2 2 347.466 3.604 40 0 EHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cncs2)[nH+]1 ZINC000257241768 244245995 /nfs/dbraw/zinc/24/59/95/244245995.db2.gz HZNIRTSXKUKJIE-INIZCTEOSA-N 2 2 330.501 3.591 40 0 EHABLP CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cncs2)[nH+]1 ZINC000257241768 244246002 /nfs/dbraw/zinc/24/60/02/244246002.db2.gz HZNIRTSXKUKJIE-INIZCTEOSA-N 2 2 330.501 3.591 40 0 EHABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+](Cc2cccs2)C3)c1 ZINC000096062391 563978991 /nfs/dbraw/zinc/97/89/91/563978991.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 2 2 348.537 3.534 40 0 EHABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+](Cc2cccs2)C3)c1 ZINC000096062391 563978992 /nfs/dbraw/zinc/97/89/92/563978992.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 2 2 348.537 3.534 40 0 EHABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+](Cc2cccs2)C3)c1 ZINC000096062391 563978993 /nfs/dbraw/zinc/97/89/93/563978993.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 2 2 348.537 3.534 40 0 EHABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+](Cc2cccs2)C3)c1 ZINC000096062391 563978994 /nfs/dbraw/zinc/97/89/94/563978994.db2.gz FSLGEILHWVDBLD-SFHVURJKSA-N 2 2 348.537 3.534 40 0 EHABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC000013991236 563982393 /nfs/dbraw/zinc/98/23/93/563982393.db2.gz WGEZRAIMVJRNKE-UHFFFAOYSA-N 2 2 339.439 3.886 40 0 EHABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC000013991236 563982394 /nfs/dbraw/zinc/98/23/94/563982394.db2.gz WGEZRAIMVJRNKE-UHFFFAOYSA-N 2 2 339.439 3.886 40 0 EHABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257278527 564054615 /nfs/dbraw/zinc/05/46/15/564054615.db2.gz OCPCHXBYUWMGIP-SFHVURJKSA-N 2 2 333.439 3.555 40 0 EHABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257278527 564054616 /nfs/dbraw/zinc/05/46/16/564054616.db2.gz OCPCHXBYUWMGIP-SFHVURJKSA-N 2 2 333.439 3.555 40 0 EHABLP Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257334817 564055676 /nfs/dbraw/zinc/05/56/76/564055676.db2.gz YHMIXYQJKYHLSW-MRXNPFEDSA-N 2 2 339.468 3.584 40 0 EHABLP Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257334817 564055677 /nfs/dbraw/zinc/05/56/77/564055677.db2.gz YHMIXYQJKYHLSW-MRXNPFEDSA-N 2 2 339.468 3.584 40 0 EHABLP c1cc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cs1 ZINC000306138286 564062355 /nfs/dbraw/zinc/06/23/55/564062355.db2.gz RUEIFCZMGVIEFB-ZWKOTPCHSA-N 2 2 335.476 3.916 40 0 EHABLP c1cc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)cs1 ZINC000306138286 564062356 /nfs/dbraw/zinc/06/23/56/564062356.db2.gz RUEIFCZMGVIEFB-ZWKOTPCHSA-N 2 2 335.476 3.916 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072379049 216180579 /nfs/dbraw/zinc/18/05/79/216180579.db2.gz LUEXEJXCAKTYOJ-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072379049 216180582 /nfs/dbraw/zinc/18/05/82/216180582.db2.gz LUEXEJXCAKTYOJ-SFHVURJKSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379062 216181967 /nfs/dbraw/zinc/18/19/67/216181967.db2.gz YYIVOVXIFDUAJS-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072379062 216181968 /nfs/dbraw/zinc/18/19/68/216181968.db2.gz YYIVOVXIFDUAJS-GOSISDBHSA-N 2 2 333.439 3.562 40 0 EHABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378676 216181869 /nfs/dbraw/zinc/18/18/69/216181869.db2.gz AAHQNUFKVVZHHW-FQEVSTJZSA-N 2 2 347.466 3.740 40 0 EHABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378676 216181871 /nfs/dbraw/zinc/18/18/71/216181871.db2.gz AAHQNUFKVVZHHW-FQEVSTJZSA-N 2 2 347.466 3.740 40 0 EHABLP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)cs1 ZINC000096046946 563978079 /nfs/dbraw/zinc/97/80/79/563978079.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)cs1 ZINC000096046946 563978080 /nfs/dbraw/zinc/97/80/80/563978080.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cs1 ZINC000096046946 563978081 /nfs/dbraw/zinc/97/80/81/563978081.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096046946 563978082 /nfs/dbraw/zinc/97/80/82/563978082.db2.gz DLEDZNHLVRZYAZ-LJQANCHMSA-N 2 2 327.497 3.631 40 0 EHABLP FCC[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccco1)c1ccccc1O2 ZINC000096242734 563980561 /nfs/dbraw/zinc/98/05/61/563980561.db2.gz FYRWYLPGCQIVHY-SFHVURJKSA-N 2 2 344.430 3.697 40 0 EHABLP COc1ccc(C[N@H+](CCC[NH+](C)C)Cc2ccccn2)c(C)c1C ZINC000013990779 564020799 /nfs/dbraw/zinc/02/07/99/564020799.db2.gz ZIWOWNUUVGIKLY-UHFFFAOYSA-N 2 2 341.499 3.661 40 0 EHABLP COc1ccc(C[N@@H+](CCC[NH+](C)C)Cc2ccccn2)c(C)c1C ZINC000013990779 564020800 /nfs/dbraw/zinc/02/08/00/564020800.db2.gz ZIWOWNUUVGIKLY-UHFFFAOYSA-N 2 2 341.499 3.661 40 0 EHABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4F)C3)[nH+]c2c1 ZINC000035446757 213028497 /nfs/dbraw/zinc/02/84/97/213028497.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 2 2 325.387 3.700 40 0 biogenic,in-vitro EHABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH+]c2c1 ZINC000035446757 213028499 /nfs/dbraw/zinc/02/84/99/213028499.db2.gz DLRXSBDSHBIJFK-AWEZNQCLSA-N 2 2 325.387 3.700 40 0 biogenic,in-vitro EHABLP c1cn(-c2cccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378697 216180596 /nfs/dbraw/zinc/18/05/96/216180596.db2.gz JGNYCHDWSLBWFY-IBGZPJMESA-N 2 2 332.451 3.689 40 0 EHABLP c1cn(-c2cccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378697 216180599 /nfs/dbraw/zinc/18/05/99/216180599.db2.gz JGNYCHDWSLBWFY-IBGZPJMESA-N 2 2 332.451 3.689 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072379066 216181038 /nfs/dbraw/zinc/18/10/38/216181038.db2.gz GQGPIJRMKWJHAL-SFHVURJKSA-N 2 2 347.466 3.604 40 0 EHABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072379066 216181042 /nfs/dbraw/zinc/18/10/42/216181042.db2.gz GQGPIJRMKWJHAL-SFHVURJKSA-N 2 2 347.466 3.604 40 0 EHABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244214 244253792 /nfs/dbraw/zinc/25/37/92/244253792.db2.gz IKJZQXFMFDVYEH-SFHVURJKSA-N 2 2 347.466 3.565 40 0 EHABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1C ZINC000257244214 244253796 /nfs/dbraw/zinc/25/37/96/244253796.db2.gz IKJZQXFMFDVYEH-SFHVURJKSA-N 2 2 347.466 3.565 40 0 EHABLP Cc1ncc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000019719809 212057603 /nfs/dbraw/zinc/05/76/03/212057603.db2.gz FFODLXNFERIEFX-AWEZNQCLSA-N 2 2 326.469 3.783 40 0 EHABLP Cc1ncc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000019719809 212057605 /nfs/dbraw/zinc/05/76/05/212057605.db2.gz FFODLXNFERIEFX-AWEZNQCLSA-N 2 2 326.469 3.783 40 0 EHABLP O[C@@H](c1ccccc1)[C@H]([NH2+]CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000019366032 212023243 /nfs/dbraw/zinc/02/32/43/212023243.db2.gz SGOMBIGJIMEQGI-PKTZIBPZSA-N 2 2 346.474 3.841 40 0 EHABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257285320 564054760 /nfs/dbraw/zinc/05/47/60/564054760.db2.gz PGPPJZUOMGJJAF-IBGZPJMESA-N 2 2 347.466 3.565 40 0 EHABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257285320 564054761 /nfs/dbraw/zinc/05/47/61/564054761.db2.gz PGPPJZUOMGJJAF-IBGZPJMESA-N 2 2 347.466 3.565 40 0 EHABLP