smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[NH+]2C[C@@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)nc1 ZINC000096053833 407229447 /nfs/dbraw/zinc/22/94/47/407229447.db2.gz VSOYUFAVQXDJRL-IRXDYDNUSA-N 2 2 301.434 1.872 40 0 DDABLP CC1CCN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)CC1 ZINC000228932648 257214470 /nfs/dbraw/zinc/21/44/70/257214470.db2.gz SZFGXFDRZCXZKJ-UHFFFAOYSA-N 2 2 300.410 1.987 40 0 DDABLP c1cc(-c2[nH]c3ccc(N4CC[NH2+]CC4)cc3[nH+]2)cc2n[nH]nc12 ZINC000059381689 134797903 /nfs/dbraw/zinc/79/79/03/134797903.db2.gz WOCXCGBXGWWPPO-UHFFFAOYSA-N 2 2 319.372 1.911 40 0 DDABLP CC(C)[N@H+](C)Cc1noc2c1CN(Cc1[nH+]ccn1C)CC2 ZINC000096084814 407236437 /nfs/dbraw/zinc/23/64/37/407236437.db2.gz DCYXAGSEOKETHG-UHFFFAOYSA-N 2 2 303.410 1.807 40 0 DDABLP CC(C)[N@@H+](C)Cc1noc2c1CN(Cc1[nH+]ccn1C)CC2 ZINC000096084814 407236440 /nfs/dbraw/zinc/23/64/40/407236440.db2.gz DCYXAGSEOKETHG-UHFFFAOYSA-N 2 2 303.410 1.807 40 0 DDABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(c2ncccn2)C1 ZINC000096188283 407245722 /nfs/dbraw/zinc/24/57/22/407245722.db2.gz SXMPTHTXGPKTLT-AWEZNQCLSA-N 2 2 300.410 1.651 40 0 DDABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@@H+](CC1CC1)CC2 ZINC000096197047 407247585 /nfs/dbraw/zinc/24/75/85/407247585.db2.gz VZPLNJKYURZTTR-UHFFFAOYSA-N 2 2 302.422 1.568 40 0 DDABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@H+](CC1CC1)CC2 ZINC000096197047 407247587 /nfs/dbraw/zinc/24/75/87/407247587.db2.gz VZPLNJKYURZTTR-UHFFFAOYSA-N 2 2 302.422 1.568 40 0 DDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000072355525 191130662 /nfs/dbraw/zinc/13/06/62/191130662.db2.gz NZXIRLDXOANROH-ZDUSSCGKSA-N 2 2 301.394 1.396 40 0 DDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072355525 191130664 /nfs/dbraw/zinc/13/06/64/191130664.db2.gz NZXIRLDXOANROH-ZDUSSCGKSA-N 2 2 301.394 1.396 40 0 DDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096066884 407233610 /nfs/dbraw/zinc/23/36/10/407233610.db2.gz VTBQXFJMRKNEIH-GFCCVEGCSA-N 2 2 304.419 1.778 40 0 DDABLP COCC[N@H+]1CCc2ncc(CNc3cccc[nH+]3)n2CC1 ZINC000096197121 407247423 /nfs/dbraw/zinc/24/74/23/407247423.db2.gz GIBGOIIPTKFFFH-UHFFFAOYSA-N 2 2 301.394 1.395 40 0 DDABLP COCC[N@@H+]1CCc2ncc(CNc3cccc[nH+]3)n2CC1 ZINC000096197121 407247425 /nfs/dbraw/zinc/24/74/25/407247425.db2.gz GIBGOIIPTKFFFH-UHFFFAOYSA-N 2 2 301.394 1.395 40 0 DDABLP C[NH+]1CCC([NH2+]C2(Cc3cc(C(C)(C)C)on3)COC2)CC1 ZINC000067897848 407288883 /nfs/dbraw/zinc/28/88/83/407288883.db2.gz CYWITFMBJBNBDG-UHFFFAOYSA-N 2 2 307.438 1.967 40 0 biogenic,in-vitro DDABLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000257208718 407496578 /nfs/dbraw/zinc/49/65/78/407496578.db2.gz BNJLYWUBUVUXNZ-KRWDZBQOSA-N 2 2 317.433 1.224 40 0 DDABLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000257208718 407496582 /nfs/dbraw/zinc/49/65/82/407496582.db2.gz BNJLYWUBUVUXNZ-KRWDZBQOSA-N 2 2 317.433 1.224 40 0 DDABLP O=C(C1=CCCC1)N1Cc2c[nH+]cn2[C@H](C[NH+]2CCCC2)C1 ZINC000306132033 231087483 /nfs/dbraw/zinc/08/74/83/231087483.db2.gz KVYKADSYWXSRSV-MRXNPFEDSA-N 2 2 300.406 1.973 40 0 DDABLP Cn1nc(C[NH+]2CCCC2)c2c1C[N@H+](Cc1cccnc1)CC2 ZINC000096084185 407235984 /nfs/dbraw/zinc/23/59/84/407235984.db2.gz OILQSIJEZOECBB-UHFFFAOYSA-N 2 2 311.433 1.969 40 0 DDABLP Cn1nc(C[NH+]2CCCC2)c2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000096084185 407235985 /nfs/dbraw/zinc/23/59/85/407235985.db2.gz OILQSIJEZOECBB-UHFFFAOYSA-N 2 2 311.433 1.969 40 0 DDABLP CC[NH+](CC)C[C@@H]1CO[C@@H]2CN(c3cc(N(C)C)[nH+]cn3)C[C@H]12 ZINC000248112399 276332214 /nfs/dbraw/zinc/33/22/14/276332214.db2.gz KNHWNBZBORRFNE-RBSFLKMASA-N 2 2 319.453 1.336 40 0 DDABLP CC[NH+](CC)C[C@@H]1CO[C@@H]2CN(c3cc(N(C)C)nc[nH+]3)C[C@H]12 ZINC000248112399 276332215 /nfs/dbraw/zinc/33/22/15/276332215.db2.gz KNHWNBZBORRFNE-RBSFLKMASA-N 2 2 319.453 1.336 40 0 DDABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C[C@@H]2CCOC2)C1 ZINC000096188331 279384420 /nfs/dbraw/zinc/38/44/20/279384420.db2.gz GIYJHOGSPCGPSI-JKSUJKDBSA-N 2 2 306.454 1.692 40 0 DDABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C[C@@H]2CCOC2)C1 ZINC000096188331 279384422 /nfs/dbraw/zinc/38/44/22/279384422.db2.gz GIYJHOGSPCGPSI-JKSUJKDBSA-N 2 2 306.454 1.692 40 0 DDABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2cnn(C)c2)CC1 ZINC000096036996 407224835 /nfs/dbraw/zinc/22/48/35/407224835.db2.gz ZFFSCJINBUZRLM-UHFFFAOYSA-N 2 2 314.437 1.362 40 0 DDABLP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@H+](C3CCCCC3)C[C@H]21 ZINC000067897327 407289552 /nfs/dbraw/zinc/28/95/52/407289552.db2.gz YDBLBZHTMONTES-CABCVRRESA-N 2 2 318.421 1.164 40 0 biogenic,in-vitro DDABLP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@@H+](C3CCCCC3)C[C@H]21 ZINC000067897327 407289554 /nfs/dbraw/zinc/28/95/54/407289554.db2.gz YDBLBZHTMONTES-CABCVRRESA-N 2 2 318.421 1.164 40 0 biogenic,in-vitro DDABLP c1cncc(C[NH+]2CC3(C2)CC[C@@H](C[NH+]2CCOCC2)CO3)c1 ZINC000253596886 407461337 /nfs/dbraw/zinc/46/13/37/407461337.db2.gz XMTJRWQNHBBODE-KRWDZBQOSA-N 2 2 317.433 1.395 40 0 DDABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccco1 ZINC000008635574 565100109 /nfs/dbraw/zinc/10/01/09/565100109.db2.gz XHGDBSLFODIDLN-HRCADAONSA-N 2 2 317.433 1.816 40 0 biogenic,in-vitro DDABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccco1 ZINC000008635574 565100118 /nfs/dbraw/zinc/10/01/18/565100118.db2.gz XHGDBSLFODIDLN-HRCADAONSA-N 2 2 317.433 1.816 40 0 biogenic,in-vitro DDABLP Cn1ccnc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355600 191130180 /nfs/dbraw/zinc/13/01/80/191130180.db2.gz LTTVEMQWFXEMHB-AWEZNQCLSA-N 2 2 323.404 1.775 40 0 DDABLP Cn1ccnc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355600 191130184 /nfs/dbraw/zinc/13/01/84/191130184.db2.gz LTTVEMQWFXEMHB-AWEZNQCLSA-N 2 2 323.404 1.775 40 0 DDABLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053767 407229505 /nfs/dbraw/zinc/22/95/05/407229505.db2.gz FLBDHEYDTAHNDA-HDICACEKSA-N 2 2 301.434 1.872 40 0 DDABLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053767 407229508 /nfs/dbraw/zinc/22/95/08/407229508.db2.gz FLBDHEYDTAHNDA-HDICACEKSA-N 2 2 301.434 1.872 40 0 DDABLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053767 407229509 /nfs/dbraw/zinc/22/95/09/407229509.db2.gz FLBDHEYDTAHNDA-HDICACEKSA-N 2 2 301.434 1.872 40 0 DDABLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053767 407229512 /nfs/dbraw/zinc/22/95/12/407229512.db2.gz FLBDHEYDTAHNDA-HDICACEKSA-N 2 2 301.434 1.872 40 0 DDABLP C[NH+]1CCC([N@@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)CC1 ZINC000257204955 407493661 /nfs/dbraw/zinc/49/36/61/407493661.db2.gz AXAPPEGNYJTQHM-IRXDYDNUSA-N 2 2 315.417 1.197 40 0 DDABLP C[NH+]1CCC([N@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)CC1 ZINC000257204955 407493667 /nfs/dbraw/zinc/49/36/67/407493667.db2.gz AXAPPEGNYJTQHM-IRXDYDNUSA-N 2 2 315.417 1.197 40 0 DDABLP C[NH+](C)C[C@H]1CCC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)OC1 ZINC000248110057 408534279 /nfs/dbraw/zinc/53/42/79/408534279.db2.gz JYKWVQFORLSGHO-OAHLLOKOSA-N 2 2 318.417 1.958 40 0 DDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096052058 407228357 /nfs/dbraw/zinc/22/83/57/407228357.db2.gz XSEIVZXKEXULGO-IAGOWNOFSA-N 2 2 317.389 1.784 40 0 DDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096052058 407228359 /nfs/dbraw/zinc/22/83/59/407228359.db2.gz XSEIVZXKEXULGO-IAGOWNOFSA-N 2 2 317.389 1.784 40 0 DDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257327034 407533268 /nfs/dbraw/zinc/53/32/68/407533268.db2.gz WZPFIMJXJXDOGF-HNNXBMFYSA-N 2 2 304.438 1.452 40 0 DDABLP CC[NH+]1CCC([N@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1 ZINC000257327034 407533274 /nfs/dbraw/zinc/53/32/74/407533274.db2.gz WZPFIMJXJXDOGF-HNNXBMFYSA-N 2 2 304.438 1.452 40 0 DDABLP CC[C@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(C2CC2)[nH+]1 ZINC000328966929 410023933 /nfs/dbraw/zinc/02/39/33/410023933.db2.gz COZNGBVMIHBICI-ZDUSSCGKSA-N 2 2 319.453 1.152 40 0 DDABLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(C)(C)CN1CC[NH+](C)CC1 ZINC000072324697 191123567 /nfs/dbraw/zinc/12/35/67/191123567.db2.gz JYFPATKCZICVIM-SJORKVTESA-N 2 2 308.514 1.429 40 0 DDABLP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@@H+](C1CCOCC1)C2 ZINC000585111937 354810574 /nfs/dbraw/zinc/81/05/74/354810574.db2.gz DWTOMXRXJVGAAK-QGZVFWFLSA-N 2 2 304.438 1.905 40 0 DDABLP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@H+](C1CCOCC1)C2 ZINC000585111937 354810575 /nfs/dbraw/zinc/81/05/75/354810575.db2.gz DWTOMXRXJVGAAK-QGZVFWFLSA-N 2 2 304.438 1.905 40 0 DDABLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3ccccc3F)COC2)no1 ZINC000067897797 407289170 /nfs/dbraw/zinc/28/91/70/407289170.db2.gz AEFQEASZXZWDNI-UHFFFAOYSA-N 2 2 319.380 1.977 40 0 biogenic,in-vitro DDABLP O[C@@H]1[C@@H](n2cc[nH+]c2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC000952844770 775567616 /nfs/dbraw/zinc/56/76/16/775567616.db2.gz IBHCEEWFAYBZAY-DGXTUMSLSA-N 2 2 307.394 1.079 40 0 biogenic,in-vitro DDABLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3cccnc3)COC2)no1 ZINC000067897812 407289140 /nfs/dbraw/zinc/28/91/40/407289140.db2.gz NQBLPBTVFVDFOU-UHFFFAOYSA-N 2 2 302.378 1.233 40 0 biogenic,in-vitro DDABLP COc1ccc([C@@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@@H+]2C)cc1 ZINC000257242780 407512369 /nfs/dbraw/zinc/51/23/69/407512369.db2.gz IECPYUOUYOGGRI-KRWDZBQOSA-N 2 2 317.433 1.510 40 0 DDABLP COc1ccc([C@@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@H+]2C)cc1 ZINC000257242780 407512375 /nfs/dbraw/zinc/51/23/75/407512375.db2.gz IECPYUOUYOGGRI-KRWDZBQOSA-N 2 2 317.433 1.510 40 0 DDABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OC ZINC000022076066 182308244 /nfs/dbraw/zinc/30/82/44/182308244.db2.gz IPFIZIGQZXDRFK-LLVKDONJSA-N 2 2 316.829 1.807 40 0 DDABLP C[NH+](C)[C@H]1COC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000096186812 407245786 /nfs/dbraw/zinc/24/57/86/407245786.db2.gz XLSTXYOGQDXJQS-KKUMJFAQSA-N 2 2 304.390 1.424 40 0 DDABLP C[NH+](C)[C@H]1COC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000096186812 407245787 /nfs/dbraw/zinc/24/57/87/407245787.db2.gz XLSTXYOGQDXJQS-KKUMJFAQSA-N 2 2 304.390 1.424 40 0 DDABLP CNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)[nH+]1 ZINC000329043028 529833291 /nfs/dbraw/zinc/83/32/91/529833291.db2.gz SPNSXKFCRVBDTP-UHFFFAOYSA-N 2 2 312.421 1.226 40 0 DDABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(c2ncccn2)C1 ZINC000096188312 407246007 /nfs/dbraw/zinc/24/60/07/407246007.db2.gz XNZWWKRIDBCTHW-CQSZACIVSA-N 2 2 300.410 1.650 40 0 DDABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(c2ncccn2)C1 ZINC000096188312 407246008 /nfs/dbraw/zinc/24/60/08/407246008.db2.gz XNZWWKRIDBCTHW-CQSZACIVSA-N 2 2 300.410 1.650 40 0 DDABLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000096196942 407247736 /nfs/dbraw/zinc/24/77/36/407247736.db2.gz ZHWBFIBRMUBUDR-UHFFFAOYSA-N 2 2 308.389 1.581 40 0 DDABLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](Cc2cccnc2)CC3)c1 ZINC000096196942 407247738 /nfs/dbraw/zinc/24/77/38/407247738.db2.gz ZHWBFIBRMUBUDR-UHFFFAOYSA-N 2 2 308.389 1.581 40 0 DDABLP CC(=O)NCc1cccc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257224776 407503741 /nfs/dbraw/zinc/50/37/41/407503741.db2.gz FDHQLVMWFUIVMB-GOSISDBHSA-N 2 2 316.449 1.949 40 0 DDABLP CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257224776 407503743 /nfs/dbraw/zinc/50/37/43/407503743.db2.gz FDHQLVMWFUIVMB-GOSISDBHSA-N 2 2 316.449 1.949 40 0 DDABLP CS(=O)(=O)N1CCC[C@H](c2cc(-n3cc[nH+]c3)cc[nH+]2)C1 ZINC000257288594 203015687 /nfs/dbraw/zinc/01/56/87/203015687.db2.gz PUWLNLDRCZFKKN-LBPRGKRZSA-N 2 2 306.391 1.406 40 0 DDABLP c1ccc(CC[N@@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)cc1 ZINC000019710962 182137196 /nfs/dbraw/zinc/13/71/96/182137196.db2.gz MIIGFNIQQMMXNJ-MRXNPFEDSA-N 2 2 311.433 1.803 40 0 DDABLP c1ccc(CC[N@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)cc1 ZINC000019710962 182137198 /nfs/dbraw/zinc/13/71/98/182137198.db2.gz MIIGFNIQQMMXNJ-MRXNPFEDSA-N 2 2 311.433 1.803 40 0 DDABLP [NH3+][C@@H]1CC[N@@H+](C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000066055027 184385879 /nfs/dbraw/zinc/38/58/79/184385879.db2.gz FLKQMBXUARUKKM-OAHLLOKOSA-N 2 2 303.406 1.821 40 0 DDABLP [NH3+][C@@H]1CC[N@H+](C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000066055027 184385881 /nfs/dbraw/zinc/38/58/81/184385881.db2.gz FLKQMBXUARUKKM-OAHLLOKOSA-N 2 2 303.406 1.821 40 0 DDABLP COCCC[NH2+][C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C[C@H]1O ZINC000036739952 406982608 /nfs/dbraw/zinc/98/26/08/406982608.db2.gz ANAKEUWYVHDRGO-IAGOWNOFSA-N 2 2 308.422 1.257 40 0 DDABLP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C[C@H]1O ZINC000036739952 406982611 /nfs/dbraw/zinc/98/26/11/406982611.db2.gz ANAKEUWYVHDRGO-IAGOWNOFSA-N 2 2 308.422 1.257 40 0 DDABLP OCC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096239826 407255162 /nfs/dbraw/zinc/25/51/62/407255162.db2.gz LNYSFXWCMMFJOD-HNNXBMFYSA-N 2 2 311.376 1.607 40 0 DDABLP OCC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096239826 407255163 /nfs/dbraw/zinc/25/51/63/407255163.db2.gz LNYSFXWCMMFJOD-HNNXBMFYSA-N 2 2 311.376 1.607 40 0 DDABLP OCC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096239826 407255166 /nfs/dbraw/zinc/25/51/66/407255166.db2.gz LNYSFXWCMMFJOD-HNNXBMFYSA-N 2 2 311.376 1.607 40 0 DDABLP OCC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096239826 407255167 /nfs/dbraw/zinc/25/51/67/407255167.db2.gz LNYSFXWCMMFJOD-HNNXBMFYSA-N 2 2 311.376 1.607 40 0 DDABLP c1cncc(C[NH+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)c1 ZINC000096053768 407229332 /nfs/dbraw/zinc/22/93/32/407229332.db2.gz FLBDHEYDTAHNDA-QZTJIDSGSA-N 2 2 301.434 1.872 40 0 DDABLP c1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096185431 407244785 /nfs/dbraw/zinc/24/47/85/407244785.db2.gz CCXNLURHYTZBJT-GBESFXJTSA-N 2 2 316.445 1.856 40 0 DDABLP c1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096185431 407244786 /nfs/dbraw/zinc/24/47/86/407244786.db2.gz CCXNLURHYTZBJT-GBESFXJTSA-N 2 2 316.445 1.856 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257296764 203020607 /nfs/dbraw/zinc/02/06/07/203020607.db2.gz REHQHTYICJLWKD-MRXNPFEDSA-N 2 2 314.437 1.917 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257296764 203020611 /nfs/dbraw/zinc/02/06/11/203020611.db2.gz REHQHTYICJLWKD-MRXNPFEDSA-N 2 2 314.437 1.917 40 0 DDABLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC000096049454 407226941 /nfs/dbraw/zinc/22/69/41/407226941.db2.gz LOFVRMXGKXOCTC-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC000096049454 407226944 /nfs/dbraw/zinc/22/69/44/407226944.db2.gz LOFVRMXGKXOCTC-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccco3)C2)C1 ZINC000096049454 407226947 /nfs/dbraw/zinc/22/69/47/407226947.db2.gz LOFVRMXGKXOCTC-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccco3)C2)C1 ZINC000096049454 407226948 /nfs/dbraw/zinc/22/69/48/407226948.db2.gz LOFVRMXGKXOCTC-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)o1 ZINC000096056250 407229267 /nfs/dbraw/zinc/22/92/67/407229267.db2.gz UYMAEWZZOLAKMI-RYQLBKOJSA-N 2 2 320.433 1.757 40 0 DDABLP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)o1 ZINC000096056250 407229268 /nfs/dbraw/zinc/22/92/68/407229268.db2.gz UYMAEWZZOLAKMI-RYQLBKOJSA-N 2 2 320.433 1.757 40 0 DDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3sccc3C)C[C@@H]2C1 ZINC000096107981 407237705 /nfs/dbraw/zinc/23/77/05/407237705.db2.gz JFNPZLDYTXAAEY-LSDHHAIUSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3sccc3C)C[C@@H]2C1 ZINC000096107981 407237707 /nfs/dbraw/zinc/23/77/07/407237707.db2.gz JFNPZLDYTXAAEY-LSDHHAIUSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3sccc3C)C[C@@H]2C1 ZINC000096107981 407237711 /nfs/dbraw/zinc/23/77/11/407237711.db2.gz JFNPZLDYTXAAEY-LSDHHAIUSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2C1 ZINC000096107981 407237713 /nfs/dbraw/zinc/23/77/13/407237713.db2.gz JFNPZLDYTXAAEY-LSDHHAIUSA-N 2 2 310.463 1.836 40 0 DDABLP CNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccncc2)[nH+]1 ZINC000329023006 410058571 /nfs/dbraw/zinc/05/85/71/410058571.db2.gz OQDAGLXOHIBPAL-UHFFFAOYSA-N 2 2 312.421 1.226 40 0 DDABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)[nH+]c1 ZINC000248032636 408526543 /nfs/dbraw/zinc/52/65/43/408526543.db2.gz IMHMNGLWDNHAHH-FVQBIDKESA-N 2 2 303.406 1.619 40 0 DDABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)[nH+]c1 ZINC000248032636 408526551 /nfs/dbraw/zinc/52/65/51/408526551.db2.gz IMHMNGLWDNHAHH-FVQBIDKESA-N 2 2 303.406 1.619 40 0 DDABLP Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2cc[nH]n2)C3)nc[nH+]1 ZINC000257290614 203015297 /nfs/dbraw/zinc/01/52/97/203015297.db2.gz QDPGJALYIOKNRT-UHFFFAOYSA-N 2 2 312.421 1.999 40 0 DDABLP Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2cc[nH]n2)C3)nc[nH+]1 ZINC000257290614 203015300 /nfs/dbraw/zinc/01/53/00/203015300.db2.gz QDPGJALYIOKNRT-UHFFFAOYSA-N 2 2 312.421 1.999 40 0 DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000096062309 407233237 /nfs/dbraw/zinc/23/32/37/407233237.db2.gz KVGVDOMBXFKKGP-SFHVURJKSA-N 2 2 322.424 1.996 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000096062309 407233239 /nfs/dbraw/zinc/23/32/39/407233239.db2.gz KVGVDOMBXFKKGP-SFHVURJKSA-N 2 2 322.424 1.996 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096062309 407233241 /nfs/dbraw/zinc/23/32/41/407233241.db2.gz KVGVDOMBXFKKGP-SFHVURJKSA-N 2 2 322.424 1.996 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096062309 407233242 /nfs/dbraw/zinc/23/32/42/407233242.db2.gz KVGVDOMBXFKKGP-SFHVURJKSA-N 2 2 322.424 1.996 40 0 DDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096108244 407237474 /nfs/dbraw/zinc/23/74/74/407237474.db2.gz HJRPGUFPOHDVGS-PBHICJAKSA-N 2 2 304.390 1.425 40 0 DDABLP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096108244 407237475 /nfs/dbraw/zinc/23/74/75/407237475.db2.gz HJRPGUFPOHDVGS-PBHICJAKSA-N 2 2 304.390 1.425 40 0 DDABLP c1[nH+]c2n(c1CNc1cccc[nH+]1)CCN(c1ncccn1)CC2 ZINC000096197110 407247962 /nfs/dbraw/zinc/24/79/62/407247962.db2.gz PQDRKBSBEGQUCA-UHFFFAOYSA-N 2 2 321.388 1.743 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096201981 407249762 /nfs/dbraw/zinc/24/97/62/407249762.db2.gz XVDLGVYDQUUURI-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096201981 407249763 /nfs/dbraw/zinc/24/97/63/407249763.db2.gz XVDLGVYDQUUURI-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096201981 407249764 /nfs/dbraw/zinc/24/97/64/407249764.db2.gz XVDLGVYDQUUURI-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096201981 407249766 /nfs/dbraw/zinc/24/97/66/407249766.db2.gz XVDLGVYDQUUURI-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000107731363 407379375 /nfs/dbraw/zinc/37/93/75/407379375.db2.gz GMTRBYDZPCYKBM-CVEARBPZSA-N 2 2 301.394 1.613 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000107731363 407379376 /nfs/dbraw/zinc/37/93/76/407379376.db2.gz GMTRBYDZPCYKBM-CVEARBPZSA-N 2 2 301.394 1.613 40 0 DDABLP COc1ccc([C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[N@@H+]2C)cc1 ZINC000257245685 407518380 /nfs/dbraw/zinc/51/83/80/407518380.db2.gz IQQAKLCPTHKGJU-MRXNPFEDSA-N 2 2 314.389 1.476 40 0 DDABLP COc1ccc([C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[N@H+]2C)cc1 ZINC000257245685 407518385 /nfs/dbraw/zinc/51/83/85/407518385.db2.gz IQQAKLCPTHKGJU-MRXNPFEDSA-N 2 2 314.389 1.476 40 0 DDABLP Cc1cc(C(=O)N(C)CC[NH+](C)C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257271348 407528788 /nfs/dbraw/zinc/52/87/88/407528788.db2.gz MXYGFGXFTARKFT-AWEZNQCLSA-N 2 2 305.426 1.185 40 0 DDABLP Cc1cc(C(=O)N(C)CC[NH+](C)C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257271348 407528796 /nfs/dbraw/zinc/52/87/96/407528796.db2.gz MXYGFGXFTARKFT-AWEZNQCLSA-N 2 2 305.426 1.185 40 0 DDABLP Cc1ccc([C@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)cc1 ZINC000095534126 185379362 /nfs/dbraw/zinc/37/93/62/185379362.db2.gz ORKIQEZXHYGALF-HNNXBMFYSA-N 2 2 301.394 1.036 40 0 DDABLP c1ccc(CC[N@@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)cc1 ZINC000019710963 182137281 /nfs/dbraw/zinc/13/72/81/182137281.db2.gz MIIGFNIQQMMXNJ-INIZCTEOSA-N 2 2 311.433 1.803 40 0 DDABLP c1ccc(CC[N@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)cc1 ZINC000019710963 182137284 /nfs/dbraw/zinc/13/72/84/182137284.db2.gz MIIGFNIQQMMXNJ-INIZCTEOSA-N 2 2 311.433 1.803 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccoc1)CCC2 ZINC000096059561 407231694 /nfs/dbraw/zinc/23/16/94/407231694.db2.gz LIIFLOSHYVDJAZ-UHFFFAOYSA-N 2 2 302.378 1.304 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccoc1)CCC2 ZINC000096059561 407231695 /nfs/dbraw/zinc/23/16/95/407231695.db2.gz LIIFLOSHYVDJAZ-UHFFFAOYSA-N 2 2 302.378 1.304 40 0 DDABLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[NH+](CC3CC3)CCO[C@@H]2C1 ZINC000096107987 407237734 /nfs/dbraw/zinc/23/77/34/407237734.db2.gz DZQLBRMLAHXNPQ-LSDHHAIUSA-N 2 2 307.463 1.994 40 0 DDABLP Cc1ncsc1C[N@H+]1C[C@@H]2C[NH+](CC3CC3)CCO[C@@H]2C1 ZINC000096107987 407237735 /nfs/dbraw/zinc/23/77/35/407237735.db2.gz DZQLBRMLAHXNPQ-LSDHHAIUSA-N 2 2 307.463 1.994 40 0 DDABLP Cc1ncsc1C[NH+]1C[C@@H]2C[N@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107987 407237738 /nfs/dbraw/zinc/23/77/38/407237738.db2.gz DZQLBRMLAHXNPQ-LSDHHAIUSA-N 2 2 307.463 1.994 40 0 DDABLP Cc1ncsc1C[NH+]1C[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107987 407237739 /nfs/dbraw/zinc/23/77/39/407237739.db2.gz DZQLBRMLAHXNPQ-LSDHHAIUSA-N 2 2 307.463 1.994 40 0 DDABLP C[NH+]1CCN([C@@H]2C[N@H+](Cc3nccs3)[C@@H]3CCCO[C@H]23)CC1 ZINC000096185817 407244813 /nfs/dbraw/zinc/24/48/13/407244813.db2.gz KFXMWVQDVGSMOB-FMKPAKJESA-N 2 2 322.478 1.122 40 0 DDABLP C[NH+]1CCN([C@@H]2C[N@@H+](Cc3nccs3)[C@@H]3CCCO[C@H]23)CC1 ZINC000096185817 407244815 /nfs/dbraw/zinc/24/48/15/407244815.db2.gz KFXMWVQDVGSMOB-FMKPAKJESA-N 2 2 322.478 1.122 40 0 DDABLP c1cn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3CC2CCOCC2)c[nH+]1 ZINC000253476828 407452283 /nfs/dbraw/zinc/45/22/83/407452283.db2.gz BOPKJIKXOJLDEX-BBWFWOEESA-N 2 2 305.422 1.789 40 0 DDABLP C[NH+](C)CCO[C@H]1C[N@H+](Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057450 407231006 /nfs/dbraw/zinc/23/10/06/407231006.db2.gz CZMFGTXRMREGJX-IPYPFGDCSA-N 2 2 311.451 1.453 40 0 DDABLP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057450 407231008 /nfs/dbraw/zinc/23/10/08/407231008.db2.gz CZMFGTXRMREGJX-IPYPFGDCSA-N 2 2 311.451 1.453 40 0 DDABLP COc1ccccc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000257239411 407514008 /nfs/dbraw/zinc/51/40/08/407514008.db2.gz HPDLWKOKVZKEGT-HNNXBMFYSA-N 2 2 314.389 1.407 40 0 DDABLP COc1ccccc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000257239411 407514016 /nfs/dbraw/zinc/51/40/16/407514016.db2.gz HPDLWKOKVZKEGT-HNNXBMFYSA-N 2 2 314.389 1.407 40 0 DDABLP Cc1cc(CC2CC[NH+](CC(=O)N3CCOCC3)CC2)cc[nH+]1 ZINC000257322089 203047221 /nfs/dbraw/zinc/04/72/21/203047221.db2.gz WENYZRFTESPHBR-UHFFFAOYSA-N 2 2 317.433 1.503 40 0 DDABLP O=C(NCc1ccco1)[C@@H]1C[N@@H+](C2CCC2)Cc2c[nH+]cn21 ZINC000247501833 408481020 /nfs/dbraw/zinc/48/10/20/408481020.db2.gz QGECYAQYKMDSPT-HNNXBMFYSA-N 2 2 300.362 1.702 40 0 DDABLP O=C(NCc1ccco1)[C@@H]1C[N@H+](C2CCC2)Cc2c[nH+]cn21 ZINC000247501833 408481024 /nfs/dbraw/zinc/48/10/24/408481024.db2.gz QGECYAQYKMDSPT-HNNXBMFYSA-N 2 2 300.362 1.702 40 0 DDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000072355524 191130366 /nfs/dbraw/zinc/13/03/66/191130366.db2.gz NZXIRLDXOANROH-CYBMUJFWSA-N 2 2 301.394 1.396 40 0 DDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072355524 191130367 /nfs/dbraw/zinc/13/03/67/191130367.db2.gz NZXIRLDXOANROH-CYBMUJFWSA-N 2 2 301.394 1.396 40 0 DDABLP Cn1nc(C2CC2)cc1C(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC000036740681 406982639 /nfs/dbraw/zinc/98/26/39/406982639.db2.gz SGWLENIHHZRCMI-UHFFFAOYSA-N 2 2 319.453 1.053 40 0 DDABLP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108133 407237284 /nfs/dbraw/zinc/23/72/84/407237284.db2.gz HUVPASFXCSKAOZ-FUHWJXTLSA-N 2 2 317.433 1.393 40 0 DDABLP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108133 407237285 /nfs/dbraw/zinc/23/72/85/407237285.db2.gz HUVPASFXCSKAOZ-FUHWJXTLSA-N 2 2 317.433 1.393 40 0 DDABLP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108133 407237286 /nfs/dbraw/zinc/23/72/86/407237286.db2.gz HUVPASFXCSKAOZ-FUHWJXTLSA-N 2 2 317.433 1.393 40 0 DDABLP c1cncc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108133 407237289 /nfs/dbraw/zinc/23/72/89/407237289.db2.gz HUVPASFXCSKAOZ-FUHWJXTLSA-N 2 2 317.433 1.393 40 0 DDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3OC)C[C@@H]2C1 ZINC000096107982 407238057 /nfs/dbraw/zinc/23/80/57/407238057.db2.gz JPWFEWWJRCLHSB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3OC)C[C@@H]2C1 ZINC000096107982 407238058 /nfs/dbraw/zinc/23/80/58/407238058.db2.gz JPWFEWWJRCLHSB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3OC)C[C@@H]2C1 ZINC000096107982 407238059 /nfs/dbraw/zinc/23/80/59/407238059.db2.gz JPWFEWWJRCLHSB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3OC)C[C@@H]2C1 ZINC000096107982 407238060 /nfs/dbraw/zinc/23/80/60/407238060.db2.gz JPWFEWWJRCLHSB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP CC(=O)NCc1cncc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257233718 407510006 /nfs/dbraw/zinc/51/00/06/407510006.db2.gz GQKJMQNWZYUWKM-QGZVFWFLSA-N 2 2 317.437 1.344 40 0 DDABLP CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257233718 407510010 /nfs/dbraw/zinc/51/00/10/407510010.db2.gz GQKJMQNWZYUWKM-QGZVFWFLSA-N 2 2 317.437 1.344 40 0 DDABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072355714 191130056 /nfs/dbraw/zinc/13/00/56/191130056.db2.gz CSWMKTPDABNCND-CYBMUJFWSA-N 2 2 313.405 1.494 40 0 DDABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072355714 191130058 /nfs/dbraw/zinc/13/00/58/191130058.db2.gz CSWMKTPDABNCND-CYBMUJFWSA-N 2 2 313.405 1.494 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@H]2c2cncc(C[NH+](C)C)n2)cn1 ZINC000257317752 203042021 /nfs/dbraw/zinc/04/20/21/203042021.db2.gz VKZANXFWRJTLBD-INIZCTEOSA-N 2 2 300.410 1.609 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@H]2c2cncc(C[NH+](C)C)n2)cn1 ZINC000257317752 203042025 /nfs/dbraw/zinc/04/20/25/203042025.db2.gz VKZANXFWRJTLBD-INIZCTEOSA-N 2 2 300.410 1.609 40 0 DDABLP Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH+]1 ZINC000257222828 407504935 /nfs/dbraw/zinc/50/49/35/407504935.db2.gz DUVBVDCADNLRSN-CYBMUJFWSA-N 2 2 313.405 1.738 40 0 DDABLP CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]cn2C)n1 ZINC000257274185 203002532 /nfs/dbraw/zinc/00/25/32/203002532.db2.gz NJWWXJZBLCOVQB-QGZVFWFLSA-N 2 2 313.405 1.788 40 0 DDABLP CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)n1 ZINC000257274185 203002535 /nfs/dbraw/zinc/00/25/35/203002535.db2.gz NJWWXJZBLCOVQB-QGZVFWFLSA-N 2 2 313.405 1.788 40 0 DDABLP c1cc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)n[nH]1 ZINC000257200940 407490504 /nfs/dbraw/zinc/49/05/04/407490504.db2.gz AFKDBPIPYSQKAD-ZDUSSCGKSA-N 2 2 309.377 1.765 40 0 DDABLP c1cc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)n[nH]1 ZINC000257200940 407490508 /nfs/dbraw/zinc/49/05/08/407490508.db2.gz AFKDBPIPYSQKAD-ZDUSSCGKSA-N 2 2 309.377 1.765 40 0 DDABLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257337022 203058391 /nfs/dbraw/zinc/05/83/91/203058391.db2.gz YRARNRIABKACKV-BFYDXBDKSA-N 2 2 320.437 1.157 40 0 DDABLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096071577 407233821 /nfs/dbraw/zinc/23/38/21/407233821.db2.gz VDZBTPITBAFCCW-QGZVFWFLSA-N 2 2 302.422 1.462 40 0 DDABLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096071577 407233822 /nfs/dbraw/zinc/23/38/22/407233822.db2.gz VDZBTPITBAFCCW-QGZVFWFLSA-N 2 2 302.422 1.462 40 0 DDABLP Cc1c(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cnn1C ZINC000257221892 407503861 /nfs/dbraw/zinc/50/38/61/407503861.db2.gz DQZGOSQBXTVVLN-MRXNPFEDSA-N 2 2 314.437 1.917 40 0 DDABLP Cc1c(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cnn1C ZINC000257221892 407503865 /nfs/dbraw/zinc/50/38/65/407503865.db2.gz DQZGOSQBXTVVLN-MRXNPFEDSA-N 2 2 314.437 1.917 40 0 DDABLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585269353 354818566 /nfs/dbraw/zinc/81/85/66/354818566.db2.gz QGVCCGANANUEQT-INIZCTEOSA-N 2 2 305.353 1.575 40 0 DDABLP Cn1c[nH+]cc1C[N@H+]1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585269353 354818567 /nfs/dbraw/zinc/81/85/67/354818567.db2.gz QGVCCGANANUEQT-INIZCTEOSA-N 2 2 305.353 1.575 40 0 DDABLP Cc1[nH+]c[nH]c1CN1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257273677 203001426 /nfs/dbraw/zinc/00/14/26/203001426.db2.gz NHQXJJBNFVRNJW-HNNXBMFYSA-N 2 2 300.410 1.907 40 0 DDABLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](Cc1cnn(C)c1)C2 ZINC000096259710 407257878 /nfs/dbraw/zinc/25/78/78/407257878.db2.gz YTEJQQGJABBNGQ-UHFFFAOYSA-N 2 2 317.441 1.258 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](Cc1cnn(C)c1)C2 ZINC000096259710 407257879 /nfs/dbraw/zinc/25/78/79/407257879.db2.gz YTEJQQGJABBNGQ-UHFFFAOYSA-N 2 2 317.441 1.258 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096259710 407257882 /nfs/dbraw/zinc/25/78/82/407257882.db2.gz YTEJQQGJABBNGQ-UHFFFAOYSA-N 2 2 317.441 1.258 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](Cc1cnn(C)c1)C2 ZINC000096259710 407257885 /nfs/dbraw/zinc/25/78/85/407257885.db2.gz YTEJQQGJABBNGQ-UHFFFAOYSA-N 2 2 317.441 1.258 40 0 DDABLP c1ccc(C[NH+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)nc1 ZINC000096053832 407229363 /nfs/dbraw/zinc/22/93/63/407229363.db2.gz VSOYUFAVQXDJRL-IAGOWNOFSA-N 2 2 301.434 1.872 40 0 DDABLP c1ccc(N2CCOC3(CC[NH+]([C@H]4CCOC4)CC3)C2)[nH+]c1 ZINC000096063131 407233324 /nfs/dbraw/zinc/23/33/24/407233324.db2.gz PFYYBVIYEFHOSZ-HNNXBMFYSA-N 2 2 303.406 1.542 40 0 DDABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@@H+](C1CCOCC1)C2 ZINC000096197521 407247630 /nfs/dbraw/zinc/24/76/30/407247630.db2.gz NMXXEYAAKMNVMY-UHFFFAOYSA-N 2 2 313.405 1.885 40 0 DDABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@H+](C1CCOCC1)C2 ZINC000096197521 407247633 /nfs/dbraw/zinc/24/76/33/407247633.db2.gz NMXXEYAAKMNVMY-UHFFFAOYSA-N 2 2 313.405 1.885 40 0 DDABLP CN(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411495 185170146 /nfs/dbraw/zinc/17/01/46/185170146.db2.gz LPJBHNSZMSPYGH-INIZCTEOSA-N 2 2 305.422 1.926 40 0 DDABLP CN(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411495 185170147 /nfs/dbraw/zinc/17/01/47/185170147.db2.gz LPJBHNSZMSPYGH-INIZCTEOSA-N 2 2 305.422 1.926 40 0 DDABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072378582 191141737 /nfs/dbraw/zinc/14/17/37/191141737.db2.gz PRYOPGXNUMOCKD-AWEZNQCLSA-N 2 2 314.393 1.196 40 0 DDABLP CN(C)c1cc([C@H]2CCC[N@H+](CC3(O)CCOCC3)C2)cc[nH+]1 ZINC000257279122 203008433 /nfs/dbraw/zinc/00/84/33/203008433.db2.gz OFCWCDVJHIDQOX-INIZCTEOSA-N 2 2 319.449 1.869 40 0 DDABLP CN(C)c1cc([C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)cc[nH+]1 ZINC000257279122 203008436 /nfs/dbraw/zinc/00/84/36/203008436.db2.gz OFCWCDVJHIDQOX-INIZCTEOSA-N 2 2 319.449 1.869 40 0 DDABLP CCOc1c(Cl)cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1OC ZINC000022076003 406889431 /nfs/dbraw/zinc/88/94/31/406889431.db2.gz BPQYFNRCANREJB-NSHDSACASA-N 2 2 316.829 1.807 40 0 DDABLP CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)C[C@@H]1c1ccccc1 ZINC000257234741 407510614 /nfs/dbraw/zinc/51/06/14/407510614.db2.gz GUXFEVCBWQCVNG-GOSISDBHSA-N 2 2 301.434 1.986 40 0 DDABLP CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)C[C@@H]1c1ccccc1 ZINC000257234741 407510621 /nfs/dbraw/zinc/51/06/21/407510621.db2.gz GUXFEVCBWQCVNG-GOSISDBHSA-N 2 2 301.434 1.986 40 0 DDABLP Cn1cc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290472 182112830 /nfs/dbraw/zinc/11/28/30/182112830.db2.gz SPKWSQKVUKRBRH-DLBZAZTESA-N 2 2 307.401 1.895 40 0 DDABLP Cn1cc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290472 182112832 /nfs/dbraw/zinc/11/28/32/182112832.db2.gz SPKWSQKVUKRBRH-DLBZAZTESA-N 2 2 307.401 1.895 40 0 DDABLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096071576 407234032 /nfs/dbraw/zinc/23/40/32/407234032.db2.gz VDZBTPITBAFCCW-KRWDZBQOSA-N 2 2 302.422 1.462 40 0 DDABLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096071576 407234034 /nfs/dbraw/zinc/23/40/34/407234034.db2.gz VDZBTPITBAFCCW-KRWDZBQOSA-N 2 2 302.422 1.462 40 0 DDABLP CC[N@H+](Cc1cccnc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257235164 407509188 /nfs/dbraw/zinc/50/91/88/407509188.db2.gz GWSHINGKKWXNIK-INIZCTEOSA-N 2 2 314.393 1.252 40 0 DDABLP CC[N@@H+](Cc1cccnc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257235164 407509192 /nfs/dbraw/zinc/50/91/92/407509192.db2.gz GWSHINGKKWXNIK-INIZCTEOSA-N 2 2 314.393 1.252 40 0 DDABLP Cc1[nH+]cc(-c2nccnc2C[C@H]2CCC[N@H+](CCO)C2)n1C ZINC000257338376 203060543 /nfs/dbraw/zinc/06/05/43/203060543.db2.gz YXCCOPCCVJKIOF-CQSZACIVSA-N 2 2 315.421 1.432 40 0 DDABLP Cc1[nH+]cc(-c2nccnc2C[C@H]2CCC[N@@H+](CCO)C2)n1C ZINC000257338376 203060545 /nfs/dbraw/zinc/06/05/45/203060545.db2.gz YXCCOPCCVJKIOF-CQSZACIVSA-N 2 2 315.421 1.432 40 0 DDABLP CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000514289145 257216052 /nfs/dbraw/zinc/21/60/52/257216052.db2.gz IQHCJGKEPUWVJS-DLBZAZTESA-N 2 2 307.482 1.390 40 0 biogenic,in-vitro DDABLP CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000514289145 257216053 /nfs/dbraw/zinc/21/60/53/257216053.db2.gz IQHCJGKEPUWVJS-DLBZAZTESA-N 2 2 307.482 1.390 40 0 biogenic,in-vitro DDABLP Cn1cc[nH+]c1CNc1cc(CC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000072365422 191134303 /nfs/dbraw/zinc/13/43/03/191134303.db2.gz MVDYHCXKWPWAEB-ZDUSSCGKSA-N 2 2 300.410 1.897 40 0 DDABLP COCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2OC)C[C@H]1O ZINC000036739951 406983098 /nfs/dbraw/zinc/98/30/98/406983098.db2.gz XAEXYJLNIHQRPL-HZPDHXFCSA-N 2 2 308.422 1.257 40 0 DDABLP COCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2OC)C[C@H]1O ZINC000036739951 406983100 /nfs/dbraw/zinc/98/31/00/406983100.db2.gz XAEXYJLNIHQRPL-HZPDHXFCSA-N 2 2 308.422 1.257 40 0 DDABLP CC(C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCOCC2)C1 ZINC000096067685 407234083 /nfs/dbraw/zinc/23/40/83/407234083.db2.gz AKYRWRDPTNZRKP-MRXNPFEDSA-N 2 2 319.449 1.036 40 0 DDABLP CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@@H](C[N@H+](C)C(C)C)C1 ZINC000096188341 407245827 /nfs/dbraw/zinc/24/58/27/407245827.db2.gz UBKIJZVVIJCPDF-CQSZACIVSA-N 2 2 307.442 1.773 40 0 DDABLP CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000096188341 407245831 /nfs/dbraw/zinc/24/58/31/407245831.db2.gz UBKIJZVVIJCPDF-CQSZACIVSA-N 2 2 307.442 1.773 40 0 DDABLP C[NH2+]CC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1OC ZINC000257270670 203000659 /nfs/dbraw/zinc/00/06/59/203000659.db2.gz MVEVGTOTUQXMPY-ZDUSSCGKSA-N 2 2 300.362 1.195 40 0 DDABLP OCC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096239827 407254754 /nfs/dbraw/zinc/25/47/54/407254754.db2.gz LNYSFXWCMMFJOD-OAHLLOKOSA-N 2 2 311.376 1.607 40 0 DDABLP OCC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096239827 407254756 /nfs/dbraw/zinc/25/47/56/407254756.db2.gz LNYSFXWCMMFJOD-OAHLLOKOSA-N 2 2 311.376 1.607 40 0 DDABLP OCC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096239827 407254757 /nfs/dbraw/zinc/25/47/57/407254757.db2.gz LNYSFXWCMMFJOD-OAHLLOKOSA-N 2 2 311.376 1.607 40 0 DDABLP OCC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096239827 407254759 /nfs/dbraw/zinc/25/47/59/407254759.db2.gz LNYSFXWCMMFJOD-OAHLLOKOSA-N 2 2 311.376 1.607 40 0 DDABLP c1cncc(C[N@@H+]2CCCn3nnc(C[NH+]4CCCC4)c3C2)c1 ZINC000096259485 407257184 /nfs/dbraw/zinc/25/71/84/407257184.db2.gz CAABMJIGKVCFJD-UHFFFAOYSA-N 2 2 312.421 1.675 40 0 DDABLP c1cncc(C[N@H+]2CCCn3nnc(C[NH+]4CCCC4)c3C2)c1 ZINC000096259485 407257186 /nfs/dbraw/zinc/25/71/86/407257186.db2.gz CAABMJIGKVCFJD-UHFFFAOYSA-N 2 2 312.421 1.675 40 0 DDABLP CC(C)C[N@@H+]1C[C@@H]2C[NH+](C3CCOCC3)CCN2C(C)(C)C1 ZINC000514289751 257215531 /nfs/dbraw/zinc/21/55/31/257215531.db2.gz OJFZCSHMBTUFQS-QGZVFWFLSA-N 2 2 309.498 1.902 40 0 biogenic,in-vitro DDABLP CC(C)C[N@H+]1C[C@@H]2C[NH+](C3CCOCC3)CCN2C(C)(C)C1 ZINC000514289751 257215532 /nfs/dbraw/zinc/21/55/32/257215532.db2.gz OJFZCSHMBTUFQS-QGZVFWFLSA-N 2 2 309.498 1.902 40 0 biogenic,in-vitro DDABLP CC(C)C[NH+]1C[C@@H]2C[N@@H+](C3CCOCC3)CCN2C(C)(C)C1 ZINC000514289751 257215533 /nfs/dbraw/zinc/21/55/33/257215533.db2.gz OJFZCSHMBTUFQS-QGZVFWFLSA-N 2 2 309.498 1.902 40 0 biogenic,in-vitro DDABLP CC(C)C[NH+]1C[C@@H]2C[N@H+](C3CCOCC3)CCN2C(C)(C)C1 ZINC000514289751 257215534 /nfs/dbraw/zinc/21/55/34/257215534.db2.gz OJFZCSHMBTUFQS-QGZVFWFLSA-N 2 2 309.498 1.902 40 0 biogenic,in-vitro DDABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OC ZINC000022076108 406889109 /nfs/dbraw/zinc/88/91/09/406889109.db2.gz UKSJVIYCUMBXLH-JTQLQIEISA-N 2 2 302.802 1.417 40 0 DDABLP c1coc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000107738913 407379345 /nfs/dbraw/zinc/37/93/45/407379345.db2.gz YRMDAMPUCRGRNC-RDJZCZTQSA-N 2 2 317.389 1.784 40 0 DDABLP c1coc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000107738913 407379347 /nfs/dbraw/zinc/37/93/47/407379347.db2.gz YRMDAMPUCRGRNC-RDJZCZTQSA-N 2 2 317.389 1.784 40 0 DDABLP C[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)CC1 ZINC000257218987 407500859 /nfs/dbraw/zinc/50/08/59/407500859.db2.gz DFDGZMDIROMDCF-ROUUACIJSA-N 2 2 304.434 1.985 40 0 DDABLP C[NH+]1CCC([N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)CC1 ZINC000257218987 407500862 /nfs/dbraw/zinc/50/08/62/407500862.db2.gz DFDGZMDIROMDCF-ROUUACIJSA-N 2 2 304.434 1.985 40 0 DDABLP Cc1cc(N2CCC(c3nnc4n3CC[N@@H+](C)C4)CC2)nc[nH+]1 ZINC000257250379 407519836 /nfs/dbraw/zinc/51/98/36/407519836.db2.gz JMHJBVLUMXMKIV-UHFFFAOYSA-N 2 2 313.409 1.206 40 0 DDABLP Cc1cc(N2CCC(c3nnc4n3CC[N@H+](C)C4)CC2)nc[nH+]1 ZINC000257250379 407519838 /nfs/dbraw/zinc/51/98/38/407519838.db2.gz JMHJBVLUMXMKIV-UHFFFAOYSA-N 2 2 313.409 1.206 40 0 DDABLP [NH3+]C[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000257263658 331954689 /nfs/dbraw/zinc/95/46/89/331954689.db2.gz LQXUWCNNBYJVJC-JCNLHEQBSA-N 2 2 316.449 1.491 40 0 DDABLP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274268 354818632 /nfs/dbraw/zinc/81/86/32/354818632.db2.gz IAPBBLQLZBQCCB-INIZCTEOSA-N 2 2 305.353 1.873 40 0 DDABLP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274268 354818633 /nfs/dbraw/zinc/81/86/33/354818633.db2.gz IAPBBLQLZBQCCB-INIZCTEOSA-N 2 2 305.353 1.873 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257315504 203041612 /nfs/dbraw/zinc/04/16/12/203041612.db2.gz VBSCDWGVWPXZDJ-OAHLLOKOSA-N 2 2 300.410 1.907 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257315504 203041616 /nfs/dbraw/zinc/04/16/16/203041616.db2.gz VBSCDWGVWPXZDJ-OAHLLOKOSA-N 2 2 300.410 1.907 40 0 DDABLP Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC000225494456 257215273 /nfs/dbraw/zinc/21/52/73/257215273.db2.gz JVAOYDXLUBSQCL-KRWDZBQOSA-N 2 2 318.465 1.487 40 0 biogenic,in-vitro DDABLP Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC000225494456 257215275 /nfs/dbraw/zinc/21/52/75/257215275.db2.gz JVAOYDXLUBSQCL-KRWDZBQOSA-N 2 2 318.465 1.487 40 0 biogenic,in-vitro DDABLP c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3CC2CCOCC2)c[nH+]1 ZINC000096250218 407255553 /nfs/dbraw/zinc/25/55/53/407255553.db2.gz BOPKJIKXOJLDEX-YESZJQIVSA-N 2 2 305.422 1.789 40 0 DDABLP c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3CC2CCOCC2)c[nH+]1 ZINC000096250218 407255556 /nfs/dbraw/zinc/25/55/56/407255556.db2.gz BOPKJIKXOJLDEX-YESZJQIVSA-N 2 2 305.422 1.789 40 0 DDABLP Cc1nc(C[N@H+]2CCC3(CN(C(=O)C[NH+](C)C)C3)C2)cs1 ZINC000096202536 407249455 /nfs/dbraw/zinc/24/94/55/407249455.db2.gz LCRZUXMNHMFLKR-UHFFFAOYSA-N 2 2 308.451 1.047 40 0 DDABLP Cc1nc(C[N@@H+]2CCC3(CN(C(=O)C[NH+](C)C)C3)C2)cs1 ZINC000096202536 407249456 /nfs/dbraw/zinc/24/94/56/407249456.db2.gz LCRZUXMNHMFLKR-UHFFFAOYSA-N 2 2 308.451 1.047 40 0 DDABLP c1ccc(C[NH+]2CC3(C2)CC[C@@H](C[NH+]2CCOCC2)CO3)nc1 ZINC000253595517 407462182 /nfs/dbraw/zinc/46/21/82/407462182.db2.gz FMIZHIXGAXVEEN-INIZCTEOSA-N 2 2 317.433 1.395 40 0 DDABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257333124 407533351 /nfs/dbraw/zinc/53/33/51/407533351.db2.gz YAGMJBQAEIWRSP-CQSZACIVSA-N 2 2 315.421 1.894 40 0 DDABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257333123 407533868 /nfs/dbraw/zinc/53/38/68/407533868.db2.gz YAGMJBQAEIWRSP-AWEZNQCLSA-N 2 2 315.421 1.894 40 0 DDABLP CC[N@H+](Cc1ccncc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257275606 203004549 /nfs/dbraw/zinc/00/45/49/203004549.db2.gz NQBMEAPPOHOILF-MRXNPFEDSA-N 2 2 314.393 1.252 40 0 DDABLP CC[N@@H+](Cc1ccncc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257275606 203004552 /nfs/dbraw/zinc/00/45/52/203004552.db2.gz NQBMEAPPOHOILF-MRXNPFEDSA-N 2 2 314.393 1.252 40 0 DDABLP C[NH+]1CCN(C(=O)c2cncc(C[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000257255671 407519717 /nfs/dbraw/zinc/51/97/17/407519717.db2.gz KIKPFGKKNZGHPZ-HNNXBMFYSA-N 2 2 316.449 1.354 40 0 DDABLP C[NH+]1CCN(C(=O)c2cncc(C[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000257255671 407519722 /nfs/dbraw/zinc/51/97/22/407519722.db2.gz KIKPFGKKNZGHPZ-HNNXBMFYSA-N 2 2 316.449 1.354 40 0 DDABLP [NH3+]C[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000257259210 407523443 /nfs/dbraw/zinc/52/34/43/407523443.db2.gz KXIUJOVSBMBLJK-JCNLHEQBSA-N 2 2 316.449 1.491 40 0 DDABLP CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(C2CC2)[nH+]1 ZINC000328966928 410024264 /nfs/dbraw/zinc/02/42/64/410024264.db2.gz COZNGBVMIHBICI-CYBMUJFWSA-N 2 2 319.453 1.152 40 0 DDABLP CCNc1cc(-c2cccnc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328983662 410036161 /nfs/dbraw/zinc/03/61/61/410036161.db2.gz HHWKBUKSWPDSHT-UHFFFAOYSA-N 2 2 300.410 1.178 40 0 DDABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C[C@@H]2CCOC2)C1 ZINC000096188330 279372911 /nfs/dbraw/zinc/37/29/11/279372911.db2.gz GIYJHOGSPCGPSI-HOTGVXAUSA-N 2 2 306.454 1.692 40 0 DDABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C[C@@H]2CCOC2)C1 ZINC000096188330 279372913 /nfs/dbraw/zinc/37/29/13/279372913.db2.gz GIYJHOGSPCGPSI-HOTGVXAUSA-N 2 2 306.454 1.692 40 0 DDABLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)(C)CN1CC[NH+](C)CC1 ZINC000072324695 191123662 /nfs/dbraw/zinc/12/36/62/191123662.db2.gz JYFPATKCZICVIM-IAGOWNOFSA-N 2 2 308.514 1.429 40 0 DDABLP c1cc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)co1 ZINC000096185430 407244525 /nfs/dbraw/zinc/24/45/25/407244525.db2.gz QCYIRCJSMIAXEV-YESZJQIVSA-N 2 2 306.406 1.449 40 0 DDABLP c1cc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)co1 ZINC000096185430 407244527 /nfs/dbraw/zinc/24/45/27/407244527.db2.gz QCYIRCJSMIAXEV-YESZJQIVSA-N 2 2 306.406 1.449 40 0 DDABLP Cc1cccc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)n1 ZINC000096196991 407247391 /nfs/dbraw/zinc/24/73/91/407247391.db2.gz ZEFPKBFJJADEEP-UHFFFAOYSA-N 2 2 323.404 1.285 40 0 DDABLP Cc1cccc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)n1 ZINC000096196991 407247394 /nfs/dbraw/zinc/24/73/94/407247394.db2.gz ZEFPKBFJJADEEP-UHFFFAOYSA-N 2 2 323.404 1.285 40 0 DDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096066885 289218539 /nfs/dbraw/zinc/21/85/39/289218539.db2.gz VTBQXFJMRKNEIH-LBPRGKRZSA-N 2 2 304.419 1.778 40 0 DDABLP CC(=O)N[C@H]1CCOC2(CC[NH+](Cc3c[nH+]cn3C)CC2)C1 ZINC000257304815 203028942 /nfs/dbraw/zinc/02/89/42/203028942.db2.gz SNGAPPSYDDBQTE-AWEZNQCLSA-N 2 2 306.410 1.070 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccncc1)CCC2 ZINC000096059568 407231596 /nfs/dbraw/zinc/23/15/96/407231596.db2.gz QALVTWHTFYGINE-UHFFFAOYSA-N 2 2 313.405 1.106 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccncc1)CCC2 ZINC000096059568 407231599 /nfs/dbraw/zinc/23/15/99/407231599.db2.gz QALVTWHTFYGINE-UHFFFAOYSA-N 2 2 313.405 1.106 40 0 DDABLP CC(C)[N@H+](C)Cc1nnn2c1C[NH+](Cc1cccnc1)CCC2 ZINC000096084689 407235863 /nfs/dbraw/zinc/23/58/63/407235863.db2.gz PZPLFKQLJXHGCJ-UHFFFAOYSA-N 2 2 314.437 1.919 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnn2c1C[NH+](Cc1cccnc1)CCC2 ZINC000096084689 407235865 /nfs/dbraw/zinc/23/58/65/407235865.db2.gz PZPLFKQLJXHGCJ-UHFFFAOYSA-N 2 2 314.437 1.919 40 0 DDABLP CC(C)[NH+](C)Cc1nnn2c1C[N@H+](Cc1cccnc1)CCC2 ZINC000096084689 407235866 /nfs/dbraw/zinc/23/58/66/407235866.db2.gz PZPLFKQLJXHGCJ-UHFFFAOYSA-N 2 2 314.437 1.919 40 0 DDABLP CC(C)[NH+](C)Cc1nnn2c1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096084689 407235868 /nfs/dbraw/zinc/23/58/68/407235868.db2.gz PZPLFKQLJXHGCJ-UHFFFAOYSA-N 2 2 314.437 1.919 40 0 DDABLP [NH3+]C[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000100768856 407308453 /nfs/dbraw/zinc/30/84/53/407308453.db2.gz KXIUJOVSBMBLJK-WOVMCDHWSA-N 2 2 316.449 1.491 40 0 DDABLP CNc1cc(C)[nH+]c([C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)c1 ZINC000257246323 407516713 /nfs/dbraw/zinc/51/67/13/407516713.db2.gz ITPJBKZIFSYHTA-MRXNPFEDSA-N 2 2 321.421 1.347 40 0 DDABLP CNc1cc(C)[nH+]c([C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)c1 ZINC000257246323 407516722 /nfs/dbraw/zinc/51/67/22/407516722.db2.gz ITPJBKZIFSYHTA-MRXNPFEDSA-N 2 2 321.421 1.347 40 0 DDABLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000228939709 563914670 /nfs/dbraw/zinc/91/46/70/563914670.db2.gz LLSNFRSPGSLTOB-TXEJJXNPSA-N 2 2 316.409 1.364 40 0 DDABLP Cc1cc(NCc2[nH+]ccn2C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365429 191134617 /nfs/dbraw/zinc/13/46/17/191134617.db2.gz AOUSLIUBRULLEP-ZDUSSCGKSA-N 2 2 300.410 1.940 40 0 DDABLP Cc1cc(NCc2[nH+]ccn2C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365429 191134619 /nfs/dbraw/zinc/13/46/19/191134619.db2.gz AOUSLIUBRULLEP-ZDUSSCGKSA-N 2 2 300.410 1.940 40 0 DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc(C)o1)C2 ZINC000096062300 407233187 /nfs/dbraw/zinc/23/31/87/407233187.db2.gz HJMMONFYOGBKGD-KRWDZBQOSA-N 2 2 308.422 1.759 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc(C)o1)C2 ZINC000096062300 407233188 /nfs/dbraw/zinc/23/31/88/407233188.db2.gz HJMMONFYOGBKGD-KRWDZBQOSA-N 2 2 308.422 1.759 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096062300 407233189 /nfs/dbraw/zinc/23/31/89/407233189.db2.gz HJMMONFYOGBKGD-KRWDZBQOSA-N 2 2 308.422 1.759 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096062300 407233191 /nfs/dbraw/zinc/23/31/91/407233191.db2.gz HJMMONFYOGBKGD-KRWDZBQOSA-N 2 2 308.422 1.759 40 0 DDABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814713 /nfs/dbraw/zinc/81/47/13/408814713.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 2 2 303.450 1.905 40 0 biogenic,in-vitro DDABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814716 /nfs/dbraw/zinc/81/47/16/408814716.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 2 2 303.450 1.905 40 0 biogenic,in-vitro DDABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814717 /nfs/dbraw/zinc/81/47/17/408814717.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 2 2 303.450 1.905 40 0 biogenic,in-vitro DDABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814718 /nfs/dbraw/zinc/81/47/18/408814718.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 2 2 303.450 1.905 40 0 biogenic,in-vitro DDABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072378588 191141586 /nfs/dbraw/zinc/14/15/86/191141586.db2.gz PPOBSCKOUVUKNR-HNNXBMFYSA-N 2 2 313.405 1.801 40 0 DDABLP C[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000022913536 182340198 /nfs/dbraw/zinc/34/01/98/182340198.db2.gz JVKFSQCSFXSFRD-HZPDHXFCSA-N 2 2 313.392 1.051 40 0 DDABLP C[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000022913536 182340202 /nfs/dbraw/zinc/34/02/02/182340202.db2.gz JVKFSQCSFXSFRD-HZPDHXFCSA-N 2 2 313.392 1.051 40 0 DDABLP C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228920773 257214551 /nfs/dbraw/zinc/21/45/51/257214551.db2.gz NUBSVEOLOFEHCB-GFCCVEGCSA-N 2 2 300.410 1.987 40 0 DDABLP Cn1cc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)cn1 ZINC000096094559 407235675 /nfs/dbraw/zinc/23/56/75/407235675.db2.gz MUVXUMILXDFPNW-UHFFFAOYSA-N 2 2 300.410 1.297 40 0 DDABLP Cn1cc(C[N@H+]2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)cn1 ZINC000096094559 407235677 /nfs/dbraw/zinc/23/56/77/407235677.db2.gz MUVXUMILXDFPNW-UHFFFAOYSA-N 2 2 300.410 1.297 40 0 DDABLP Cn1cc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)cn1 ZINC000096094559 407235679 /nfs/dbraw/zinc/23/56/79/407235679.db2.gz MUVXUMILXDFPNW-UHFFFAOYSA-N 2 2 300.410 1.297 40 0 DDABLP Cn1cc(C[N@H+]2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)cn1 ZINC000096094559 407235681 /nfs/dbraw/zinc/23/56/81/407235681.db2.gz MUVXUMILXDFPNW-UHFFFAOYSA-N 2 2 300.410 1.297 40 0 DDABLP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257266061 407527588 /nfs/dbraw/zinc/52/75/88/407527588.db2.gz MBKJYAPFIOYDIW-MRXNPFEDSA-N 2 2 300.410 1.907 40 0 DDABLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257266061 407527592 /nfs/dbraw/zinc/52/75/92/407527592.db2.gz MBKJYAPFIOYDIW-MRXNPFEDSA-N 2 2 300.410 1.907 40 0 DDABLP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2c[nH+]cn21 ZINC000248149010 408540677 /nfs/dbraw/zinc/54/06/77/408540677.db2.gz WTYKVWBKKXMSBP-CYBMUJFWSA-N 2 2 315.377 1.507 40 0 DDABLP C[NH+](C)CCNc1nc(NCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000329070183 410086222 /nfs/dbraw/zinc/08/62/22/410086222.db2.gz ZELMCVQYEMADID-UHFFFAOYSA-N 2 2 312.421 1.178 40 0 DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1c(C)noc1C)C2 ZINC000096062304 277226338 /nfs/dbraw/zinc/22/63/38/277226338.db2.gz VQBNOEZESWHJHL-KRWDZBQOSA-N 2 2 323.437 1.462 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1c(C)noc1C)C2 ZINC000096062304 277226340 /nfs/dbraw/zinc/22/63/40/277226340.db2.gz VQBNOEZESWHJHL-KRWDZBQOSA-N 2 2 323.437 1.462 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC000096062304 277226341 /nfs/dbraw/zinc/22/63/41/277226341.db2.gz VQBNOEZESWHJHL-KRWDZBQOSA-N 2 2 323.437 1.462 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096062304 277226342 /nfs/dbraw/zinc/22/63/42/277226342.db2.gz VQBNOEZESWHJHL-KRWDZBQOSA-N 2 2 323.437 1.462 40 0 DDABLP Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(CC[NH+]1CCCC1)C2 ZINC000096044938 407226664 /nfs/dbraw/zinc/22/66/64/407226664.db2.gz NIHGXXZNRPHYFS-INIZCTEOSA-N 2 2 318.465 1.842 40 0 DDABLP C[N@@H+]1Cc2c[nH+]cn2[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000306136886 529830776 /nfs/dbraw/zinc/83/07/76/529830776.db2.gz QFQDLBIBDQDYPC-OAHLLOKOSA-N 2 2 303.435 1.776 40 0 DDABLP C[N@H+]1Cc2c[nH+]cn2[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000306136886 529830777 /nfs/dbraw/zinc/83/07/77/529830777.db2.gz QFQDLBIBDQDYPC-OAHLLOKOSA-N 2 2 303.435 1.776 40 0 DDABLP COc1ccccc1[C@H]1CN(C(=O)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000257307657 203031045 /nfs/dbraw/zinc/03/10/45/203031045.db2.gz SZRWOCMSWOROAW-MRXNPFEDSA-N 2 2 317.433 1.510 40 0 DDABLP COc1ccccc1[C@H]1CN(C(=O)C2CC[NH2+]CC2)CC[N@H+]1C ZINC000257307657 203031050 /nfs/dbraw/zinc/03/10/50/203031050.db2.gz SZRWOCMSWOROAW-MRXNPFEDSA-N 2 2 317.433 1.510 40 0 DDABLP O=C1C[C@H]([NH2+]CCc2c[nH]c[nH+]2)C(=O)N1c1cccc(Cl)c1 ZINC000017054810 182072799 /nfs/dbraw/zinc/07/27/99/182072799.db2.gz BSGOUTAVSXUANY-ZDUSSCGKSA-N 2 2 318.764 1.527 40 0 DDABLP O=C1C[C@H]([NH2+]CCc2c[nH+]c[nH]2)C(=O)N1c1cccc(Cl)c1 ZINC000017054810 182072801 /nfs/dbraw/zinc/07/28/01/182072801.db2.gz BSGOUTAVSXUANY-ZDUSSCGKSA-N 2 2 318.764 1.527 40 0 DDABLP COc1cc(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc(OC)c1OC ZINC000001580708 406672778 /nfs/dbraw/zinc/67/27/78/406672778.db2.gz FYMWYWNZHRZDCD-UHFFFAOYSA-N 2 2 324.421 1.635 40 0 DDABLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](Cc2ccccn2)CC3)c1 ZINC000096196941 407247517 /nfs/dbraw/zinc/24/75/17/407247517.db2.gz DMCSCCBGXJJOJR-UHFFFAOYSA-N 2 2 308.389 1.581 40 0 DDABLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](Cc2ccccn2)CC3)c1 ZINC000096196941 407247518 /nfs/dbraw/zinc/24/75/18/407247518.db2.gz DMCSCCBGXJJOJR-UHFFFAOYSA-N 2 2 308.389 1.581 40 0 DDABLP [NH3+]Cc1cnn(-c2ccccc2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000257232260 407507528 /nfs/dbraw/zinc/50/75/28/407507528.db2.gz GKANBAKBPMMDNX-UHFFFAOYSA-N 2 2 324.388 1.348 40 0 DDABLP COCC1=CCNC(SCC[NH+]2CCOCC2)=[NH+]C/C=C/1 ZINC000936068997 715147450 /nfs/dbraw/zinc/14/74/50/715147450.db2.gz YSYVXUNAUNNUCT-ZCUOJBLGSA-N 2 2 311.451 1.140 40 0 DDABLP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274270 354818732 /nfs/dbraw/zinc/81/87/32/354818732.db2.gz IAPBBLQLZBQCCB-MRXNPFEDSA-N 2 2 305.353 1.873 40 0 DDABLP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585274270 354818733 /nfs/dbraw/zinc/81/87/33/354818733.db2.gz IAPBBLQLZBQCCB-MRXNPFEDSA-N 2 2 305.353 1.873 40 0 DDABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1ccncc1)CC2 ZINC000096058957 407231993 /nfs/dbraw/zinc/23/19/93/407231993.db2.gz WHKDPIZDVLMLHR-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1ccncc1)CC2 ZINC000096058957 407231994 /nfs/dbraw/zinc/23/19/94/407231994.db2.gz WHKDPIZDVLMLHR-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1ccncc1)CC2 ZINC000096058957 407231996 /nfs/dbraw/zinc/23/19/96/407231996.db2.gz WHKDPIZDVLMLHR-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1ccncc1)CC2 ZINC000096058957 407231997 /nfs/dbraw/zinc/23/19/97/407231997.db2.gz WHKDPIZDVLMLHR-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1ccco1)CC2 ZINC000096058945 407232181 /nfs/dbraw/zinc/23/21/81/407232181.db2.gz UJGCBHKREYFMBN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1ccco1)CC2 ZINC000096058945 407232182 /nfs/dbraw/zinc/23/21/82/407232182.db2.gz UJGCBHKREYFMBN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1ccco1)CC2 ZINC000096058945 407232184 /nfs/dbraw/zinc/23/21/84/407232184.db2.gz UJGCBHKREYFMBN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1ccco1)CC2 ZINC000096058945 407232185 /nfs/dbraw/zinc/23/21/85/407232185.db2.gz UJGCBHKREYFMBN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(C)o1)C2 ZINC000096062301 407232479 /nfs/dbraw/zinc/23/24/79/407232479.db2.gz HJMMONFYOGBKGD-QGZVFWFLSA-N 2 2 308.422 1.759 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(C)o1)C2 ZINC000096062301 407232480 /nfs/dbraw/zinc/23/24/80/407232480.db2.gz HJMMONFYOGBKGD-QGZVFWFLSA-N 2 2 308.422 1.759 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096062301 407232481 /nfs/dbraw/zinc/23/24/81/407232481.db2.gz HJMMONFYOGBKGD-QGZVFWFLSA-N 2 2 308.422 1.759 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096062301 407232482 /nfs/dbraw/zinc/23/24/82/407232482.db2.gz HJMMONFYOGBKGD-QGZVFWFLSA-N 2 2 308.422 1.759 40 0 DDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107738931 407379454 /nfs/dbraw/zinc/37/94/54/407379454.db2.gz XSEIVZXKEXULGO-IRXDYDNUSA-N 2 2 317.389 1.784 40 0 DDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107738931 407379455 /nfs/dbraw/zinc/37/94/55/407379455.db2.gz XSEIVZXKEXULGO-IRXDYDNUSA-N 2 2 317.389 1.784 40 0 DDABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc[nH]2)C1 ZINC000096188290 279125633 /nfs/dbraw/zinc/12/56/33/279125633.db2.gz CAKVBKVDBIUWSM-CQSZACIVSA-N 2 2 315.421 1.825 40 0 DDABLP Cc1cc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)cc(C)c1Cl ZINC000064875886 184305901 /nfs/dbraw/zinc/30/59/01/184305901.db2.gz MWSNLCYBXAVRHV-CQSZACIVSA-N 2 2 312.841 1.992 40 0 DDABLP Cc1cc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)cc(C)c1Cl ZINC000064875886 184305903 /nfs/dbraw/zinc/30/59/03/184305903.db2.gz MWSNLCYBXAVRHV-CQSZACIVSA-N 2 2 312.841 1.992 40 0 DDABLP c1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)nc1 ZINC000096056253 407229904 /nfs/dbraw/zinc/22/99/04/407229904.db2.gz QAPOAVHMAXIEDG-RYQLBKOJSA-N 2 2 317.433 1.251 40 0 DDABLP c1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)nc1 ZINC000096056253 407229905 /nfs/dbraw/zinc/22/99/05/407229905.db2.gz QAPOAVHMAXIEDG-RYQLBKOJSA-N 2 2 317.433 1.251 40 0 DDABLP [NH3+]C[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000100766712 407308306 /nfs/dbraw/zinc/30/83/06/407308306.db2.gz LQXUWCNNBYJVJC-WOVMCDHWSA-N 2 2 316.449 1.491 40 0 DDABLP CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)C2CC2)Cc2c[nH+]cn21 ZINC000248248247 408546055 /nfs/dbraw/zinc/54/60/55/408546055.db2.gz KQPOJWVPIURXPB-CYBMUJFWSA-N 2 2 312.439 1.074 40 0 DDABLP CC(C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCOCC2)C1 ZINC000096067686 279627359 /nfs/dbraw/zinc/62/73/59/279627359.db2.gz AKYRWRDPTNZRKP-INIZCTEOSA-N 2 2 319.449 1.036 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@H]2OCC[N@H+](CC3CC3)[C@@H]2CC1 ZINC000096249310 407256038 /nfs/dbraw/zinc/25/60/38/407256038.db2.gz FKIFHMHNOSPOFO-HZPDHXFCSA-N 2 2 304.438 1.495 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2CC1 ZINC000096249310 407256039 /nfs/dbraw/zinc/25/60/39/407256039.db2.gz FKIFHMHNOSPOFO-HZPDHXFCSA-N 2 2 304.438 1.495 40 0 DDABLP Cn1cc(C[N@@H+]2CCCn3c(C[NH+]4CCCC4)nnc3C2)cn1 ZINC000096259714 407258111 /nfs/dbraw/zinc/25/81/11/407258111.db2.gz PGWXIGOPSJGUKY-UHFFFAOYSA-N 2 2 315.425 1.013 40 0 DDABLP Cn1cc(C[N@H+]2CCCn3c(C[NH+]4CCCC4)nnc3C2)cn1 ZINC000096259714 407258113 /nfs/dbraw/zinc/25/81/13/407258113.db2.gz PGWXIGOPSJGUKY-UHFFFAOYSA-N 2 2 315.425 1.013 40 0 DDABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cnn(C)c1)C2 ZINC000096201054 407248585 /nfs/dbraw/zinc/24/85/85/407248585.db2.gz YEEMOKNWSULNSI-UHFFFAOYSA-N 2 2 302.426 1.473 40 0 DDABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cnn(C)c1)C2 ZINC000096201054 407248586 /nfs/dbraw/zinc/24/85/86/407248586.db2.gz YEEMOKNWSULNSI-UHFFFAOYSA-N 2 2 302.426 1.473 40 0 DDABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096201054 407248587 /nfs/dbraw/zinc/24/85/87/407248587.db2.gz YEEMOKNWSULNSI-UHFFFAOYSA-N 2 2 302.426 1.473 40 0 DDABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096201054 407248588 /nfs/dbraw/zinc/24/85/88/407248588.db2.gz YEEMOKNWSULNSI-UHFFFAOYSA-N 2 2 302.426 1.473 40 0 DDABLP C[NH+](C)CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000111660283 407413543 /nfs/dbraw/zinc/41/35/43/407413543.db2.gz MNBDKIZCNLDGHQ-UHFFFAOYSA-N 2 2 305.422 1.200 40 0 DDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072378583 191141361 /nfs/dbraw/zinc/14/13/61/191141361.db2.gz PRYOPGXNUMOCKD-CQSZACIVSA-N 2 2 314.393 1.196 40 0 DDABLP CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000514289147 257216141 /nfs/dbraw/zinc/21/61/41/257216141.db2.gz IQHCJGKEPUWVJS-IAGOWNOFSA-N 2 2 307.482 1.390 40 0 biogenic,in-vitro DDABLP CC(C)C[N@H+]1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1 ZINC000514289147 257216142 /nfs/dbraw/zinc/21/61/42/257216142.db2.gz IQHCJGKEPUWVJS-IAGOWNOFSA-N 2 2 307.482 1.390 40 0 biogenic,in-vitro DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000096062293 407233380 /nfs/dbraw/zinc/23/33/80/407233380.db2.gz WQAGMWFJZNXHND-INIZCTEOSA-N 2 2 310.463 1.919 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000096062293 407233382 /nfs/dbraw/zinc/23/33/82/407233382.db2.gz WQAGMWFJZNXHND-INIZCTEOSA-N 2 2 310.463 1.919 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096062293 407233384 /nfs/dbraw/zinc/23/33/84/407233384.db2.gz WQAGMWFJZNXHND-INIZCTEOSA-N 2 2 310.463 1.919 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096062293 407233387 /nfs/dbraw/zinc/23/33/87/407233387.db2.gz WQAGMWFJZNXHND-INIZCTEOSA-N 2 2 310.463 1.919 40 0 DDABLP Cn1ccnc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196852 407246610 /nfs/dbraw/zinc/24/66/10/407246610.db2.gz OMVDZIFUGZALPL-UHFFFAOYSA-N 2 2 314.437 1.271 40 0 DDABLP Cn1ccnc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196852 407246613 /nfs/dbraw/zinc/24/66/13/407246613.db2.gz OMVDZIFUGZALPL-UHFFFAOYSA-N 2 2 314.437 1.271 40 0 DDABLP Cn1cc(C[N@H+]2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cn1 ZINC000096207221 407249266 /nfs/dbraw/zinc/24/92/66/407249266.db2.gz LTWBNJRXKGXJNS-MRXNPFEDSA-N 2 2 315.421 1.675 40 0 DDABLP Cn1cc(C[N@@H+]2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cn1 ZINC000096207221 407249267 /nfs/dbraw/zinc/24/92/67/407249267.db2.gz LTWBNJRXKGXJNS-MRXNPFEDSA-N 2 2 315.421 1.675 40 0 DDABLP C[NH+](C)CCNC(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306132843 231088667 /nfs/dbraw/zinc/08/86/67/231088667.db2.gz LUBWZJZQOQQEJU-AWEZNQCLSA-N 2 2 315.421 1.392 40 0 DDABLP C[NH+](C)CCNC(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306132843 231088671 /nfs/dbraw/zinc/08/86/71/231088671.db2.gz LUBWZJZQOQQEJU-AWEZNQCLSA-N 2 2 315.421 1.392 40 0 DDABLP Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)[nH+]1 ZINC000257327796 203049992 /nfs/dbraw/zinc/04/99/92/203049992.db2.gz XCTYEKBQCVRKNY-AWEZNQCLSA-N 2 2 301.394 1.640 40 0 DDABLP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000096051930 407228239 /nfs/dbraw/zinc/22/82/39/407228239.db2.gz IVOINTDQENNFQE-HIFRSBDPSA-N 2 2 311.451 1.312 40 0 DDABLP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000096051930 407228242 /nfs/dbraw/zinc/22/82/42/407228242.db2.gz IVOINTDQENNFQE-HIFRSBDPSA-N 2 2 311.451 1.312 40 0 DDABLP Cn1nc(C[NH+]2CCCCC2)c2c1C[N@@H+](C1CCOCC1)C2 ZINC000096084525 407235799 /nfs/dbraw/zinc/23/57/99/407235799.db2.gz QBNONZPLPIZJDZ-UHFFFAOYSA-N 2 2 304.438 1.901 40 0 DDABLP Cn1nc(C[NH+]2CCCCC2)c2c1C[N@H+](C1CCOCC1)C2 ZINC000096084525 407235800 /nfs/dbraw/zinc/23/58/00/407235800.db2.gz QBNONZPLPIZJDZ-UHFFFAOYSA-N 2 2 304.438 1.901 40 0 DDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(OC)c3)C[C@@H]2C1 ZINC000096107980 407238014 /nfs/dbraw/zinc/23/80/14/407238014.db2.gz QNGVPFVAXNHWKB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(OC)c3)C[C@@H]2C1 ZINC000096107980 407238015 /nfs/dbraw/zinc/23/80/15/407238015.db2.gz QNGVPFVAXNHWKB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@@H]2C1 ZINC000096107980 407238017 /nfs/dbraw/zinc/23/80/17/407238017.db2.gz QNGVPFVAXNHWKB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@@H]2C1 ZINC000096107980 407238020 /nfs/dbraw/zinc/23/80/20/407238020.db2.gz QNGVPFVAXNHWKB-FUHWJXTLSA-N 2 2 320.433 1.474 40 0 DDABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2cnn(C)c2)C1 ZINC000096188279 407246065 /nfs/dbraw/zinc/24/60/65/407246065.db2.gz HPNUCABUQULSCO-MRXNPFEDSA-N 2 2 316.453 1.590 40 0 DDABLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096196896 407247060 /nfs/dbraw/zinc/24/70/60/407247060.db2.gz GFRRFSDXJZUPQN-HNNXBMFYSA-N 2 2 304.438 1.516 40 0 DDABLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096196896 407247061 /nfs/dbraw/zinc/24/70/61/407247061.db2.gz GFRRFSDXJZUPQN-HNNXBMFYSA-N 2 2 304.438 1.516 40 0 DDABLP c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096208576 407250736 /nfs/dbraw/zinc/25/07/36/407250736.db2.gz JBLAULSUAUUOJZ-MSOLQXFVSA-N 2 2 302.418 1.467 40 0 DDABLP c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096208576 407250738 /nfs/dbraw/zinc/25/07/38/407250738.db2.gz JBLAULSUAUUOJZ-MSOLQXFVSA-N 2 2 302.418 1.467 40 0 DDABLP CN(CC1CC[NH+](CC[NH3+])CC1)C(=O)OCc1ccccc1 ZINC000079411521 185169871 /nfs/dbraw/zinc/16/98/71/185169871.db2.gz KQNYVWRGONXEQE-UHFFFAOYSA-N 2 2 305.422 1.926 40 0 DDABLP C[NH+](C)CC(=O)N1CCC(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000072379018 191141284 /nfs/dbraw/zinc/14/12/84/191141284.db2.gz KKRNKLZEZMODLG-UHFFFAOYSA-N 2 2 313.405 1.535 40 0 DDABLP CCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000195529841 201398945 /nfs/dbraw/zinc/39/89/45/201398945.db2.gz RHBZCJUYFHCDHW-SOUVJXGZSA-N 2 2 312.454 1.759 40 0 DDABLP CNc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257282928 203011153 /nfs/dbraw/zinc/01/11/53/203011153.db2.gz OVXJSZFXNXZGNX-OAHLLOKOSA-N 2 2 302.422 1.925 40 0 DDABLP CNc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257282928 203011154 /nfs/dbraw/zinc/01/11/54/203011154.db2.gz OVXJSZFXNXZGNX-OAHLLOKOSA-N 2 2 302.422 1.925 40 0 DDABLP C[NH+](C)CCC[NH2+][C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1O ZINC000012146522 406836841 /nfs/dbraw/zinc/83/68/41/406836841.db2.gz ANMHCNHOHYLQTE-IAGOWNOFSA-N 2 2 309.429 1.302 40 0 DDABLP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000012146522 406836844 /nfs/dbraw/zinc/83/68/44/406836844.db2.gz ANMHCNHOHYLQTE-IAGOWNOFSA-N 2 2 309.429 1.302 40 0 DDABLP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000012146522 406836847 /nfs/dbraw/zinc/83/68/47/406836847.db2.gz ANMHCNHOHYLQTE-IAGOWNOFSA-N 2 2 309.429 1.302 40 0 DDABLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257275761 203004410 /nfs/dbraw/zinc/00/44/10/203004410.db2.gz NQTUVXPXRYETGE-OAHLLOKOSA-N 2 2 313.405 1.796 40 0 DDABLP Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H](C[NH+](C)C)C2)no1 ZINC000096188255 407245753 /nfs/dbraw/zinc/24/57/53/407245753.db2.gz PXPDNFNHTLPZNX-GFCCVEGCSA-N 2 2 303.366 1.013 40 0 DDABLP Cc1cccc(N2CCC[C@H]([N@H+](C)CC3(O)CCOCC3)C2)[nH+]1 ZINC000257293581 203018779 /nfs/dbraw/zinc/01/87/79/203018779.db2.gz QQFMSXGULHLBAA-INIZCTEOSA-N 2 2 319.449 1.832 40 0 DDABLP Cc1cccc(N2CCC[C@H]([N@@H+](C)CC3(O)CCOCC3)C2)[nH+]1 ZINC000257293581 203018783 /nfs/dbraw/zinc/01/87/83/203018783.db2.gz QQFMSXGULHLBAA-INIZCTEOSA-N 2 2 319.449 1.832 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccs1)CCC2 ZINC000096059560 407232269 /nfs/dbraw/zinc/23/22/69/407232269.db2.gz HJVSEYBGBWNXKE-UHFFFAOYSA-N 2 2 318.446 1.772 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccs1)CCC2 ZINC000096059560 407232271 /nfs/dbraw/zinc/23/22/71/407232271.db2.gz HJVSEYBGBWNXKE-UHFFFAOYSA-N 2 2 318.446 1.772 40 0 DDABLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[N@@H+]2C)cc1 ZINC000257245684 407516971 /nfs/dbraw/zinc/51/69/71/407516971.db2.gz IQQAKLCPTHKGJU-INIZCTEOSA-N 2 2 314.389 1.476 40 0 DDABLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[N@H+]2C)cc1 ZINC000257245684 407516979 /nfs/dbraw/zinc/51/69/79/407516979.db2.gz IQQAKLCPTHKGJU-INIZCTEOSA-N 2 2 314.389 1.476 40 0 DDABLP CC(C)n1nccc1C[N@@H+]1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257268486 407530832 /nfs/dbraw/zinc/53/08/32/407530832.db2.gz MLWUKWYHZRVXCF-HOTGVXAUSA-N 2 2 303.410 1.859 40 0 DDABLP CC(C)n1nccc1C[N@H+]1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257268486 407530835 /nfs/dbraw/zinc/53/08/35/407530835.db2.gz MLWUKWYHZRVXCF-HOTGVXAUSA-N 2 2 303.410 1.859 40 0 DDABLP COc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C[NH+](C)C)C2)c1 ZINC000248138378 408537115 /nfs/dbraw/zinc/53/71/15/408537115.db2.gz SLRPQCVBMPYKGQ-HNNXBMFYSA-N 2 2 314.389 1.650 40 0 DDABLP Cn1cc[nH+]c1CNc1cc(CC[C@H]2CCCC[NH2+]2)ncn1 ZINC000072365423 191134329 /nfs/dbraw/zinc/13/43/29/191134329.db2.gz MVDYHCXKWPWAEB-CYBMUJFWSA-N 2 2 300.410 1.897 40 0 DDABLP CC(=O)N1CCN(c2ccc(CC[C@@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000072365052 191134552 /nfs/dbraw/zinc/13/45/52/191134552.db2.gz SQUKOWUJTJPIQS-INIZCTEOSA-N 2 2 302.422 1.435 40 0 DDABLP COc1cc(OC)c(C(=O)C(C[NH+](C)C)C[NH+](C)C)cc1OC ZINC000001590147 406671478 /nfs/dbraw/zinc/67/14/78/406671478.db2.gz SQSUKPBUTBYWQU-UHFFFAOYSA-N 2 2 324.421 1.635 40 0 DDABLP Cn1c[nH+]c(CNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)c1 ZINC000257231468 407507852 /nfs/dbraw/zinc/50/78/52/407507852.db2.gz GGULYTRYNVQVNZ-UHFFFAOYSA-N 2 2 321.384 1.871 40 0 DDABLP CC[NH+](CC)C[C@@H]1CN(C(=O)c2cccn2C)Cc2c[nH+]cn21 ZINC000248153421 276106607 /nfs/dbraw/zinc/10/66/07/276106607.db2.gz UZAUBLFOXONKDB-OAHLLOKOSA-N 2 2 315.421 1.761 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000257334460 203056137 /nfs/dbraw/zinc/05/61/37/203056137.db2.gz YFZFIDJNXQZZKB-INIZCTEOSA-N 2 2 314.437 1.917 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257334460 203056140 /nfs/dbraw/zinc/05/61/40/203056140.db2.gz YFZFIDJNXQZZKB-INIZCTEOSA-N 2 2 314.437 1.917 40 0 DDABLP CC[N@@H+]1CCNC(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096230149 407253988 /nfs/dbraw/zinc/25/39/88/407253988.db2.gz MVHPEIYGGDBNCG-UHFFFAOYSA-N 2 2 317.433 1.482 40 0 DDABLP CC[N@H+]1CCNC(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096230149 407253989 /nfs/dbraw/zinc/25/39/89/407253989.db2.gz MVHPEIYGGDBNCG-UHFFFAOYSA-N 2 2 317.433 1.482 40 0 DDABLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096054166 407228977 /nfs/dbraw/zinc/22/89/77/407228977.db2.gz UOTUXMABLNTXJW-CABCVRRESA-N 2 2 317.462 1.831 40 0 DDABLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096054166 407228978 /nfs/dbraw/zinc/22/89/78/407228978.db2.gz UOTUXMABLNTXJW-CABCVRRESA-N 2 2 317.462 1.831 40 0 DDABLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096054166 407228982 /nfs/dbraw/zinc/22/89/82/407228982.db2.gz UOTUXMABLNTXJW-CABCVRRESA-N 2 2 317.462 1.831 40 0 DDABLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096054166 407228985 /nfs/dbraw/zinc/22/89/85/407228985.db2.gz UOTUXMABLNTXJW-CABCVRRESA-N 2 2 317.462 1.831 40 0 DDABLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000257332715 407532549 /nfs/dbraw/zinc/53/25/49/407532549.db2.gz XYJDCQKFZZJJDK-CQSZACIVSA-N 2 2 300.362 1.134 40 0 DDABLP CCCC(=O)N1CCN(CC[NH+](C)C)c2[nH+]c(C)ccc2C1 ZINC000096199020 275967578 /nfs/dbraw/zinc/96/75/78/275967578.db2.gz ZSYPKHVNHKLZKY-UHFFFAOYSA-N 2 2 304.438 1.900 40 0 DDABLP CCOC[C@H]1CN(CC[NH+]2CCCCC2)Cc2[nH+]cn(C)c21 ZINC000096068628 286181191 /nfs/dbraw/zinc/18/11/91/286181191.db2.gz CZPBQRDYSOEBTH-OAHLLOKOSA-N 2 2 306.454 1.842 40 0 DDABLP C[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)CC1 ZINC000225479967 407591203 /nfs/dbraw/zinc/59/12/03/407591203.db2.gz YTMAASLXGAUPDW-ZFWWWQNUSA-N 2 2 301.390 1.555 40 0 biogenic,in-vitro DDABLP C[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)CC1 ZINC000225479967 407591206 /nfs/dbraw/zinc/59/12/06/407591206.db2.gz YTMAASLXGAUPDW-ZFWWWQNUSA-N 2 2 301.390 1.555 40 0 biogenic,in-vitro DDABLP CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]cn2C)nc1 ZINC000257240509 407513333 /nfs/dbraw/zinc/51/33/33/407513333.db2.gz HTUQOKDGKOZLNX-QGZVFWFLSA-N 2 2 313.405 1.788 40 0 DDABLP CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)nc1 ZINC000257240509 407513340 /nfs/dbraw/zinc/51/33/40/407513340.db2.gz HTUQOKDGKOZLNX-QGZVFWFLSA-N 2 2 313.405 1.788 40 0 DDABLP Cc1cc(C(=O)N(C)CC[NH+](C)C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257271349 407529144 /nfs/dbraw/zinc/52/91/44/407529144.db2.gz MXYGFGXFTARKFT-CQSZACIVSA-N 2 2 305.426 1.185 40 0 DDABLP Cc1cc(C(=O)N(C)CC[NH+](C)C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257271349 407529152 /nfs/dbraw/zinc/52/91/52/407529152.db2.gz MXYGFGXFTARKFT-CQSZACIVSA-N 2 2 305.426 1.185 40 0 DDABLP CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257224777 277037880 /nfs/dbraw/zinc/03/78/80/277037880.db2.gz FDHQLVMWFUIVMB-SFHVURJKSA-N 2 2 316.449 1.949 40 0 DDABLP CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257224777 277037882 /nfs/dbraw/zinc/03/78/82/277037882.db2.gz FDHQLVMWFUIVMB-SFHVURJKSA-N 2 2 316.449 1.949 40 0 DDABLP [NH3+]CC[N@H+](C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391852 185168582 /nfs/dbraw/zinc/16/85/82/185168582.db2.gz YZJZMZMHGNEDCT-INIZCTEOSA-N 2 2 303.406 1.821 40 0 DDABLP [NH3+]CC[N@@H+](C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391852 185168583 /nfs/dbraw/zinc/16/85/83/185168583.db2.gz YZJZMZMHGNEDCT-INIZCTEOSA-N 2 2 303.406 1.821 40 0 DDABLP C[NH2+]CC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1OC ZINC000257270669 203000235 /nfs/dbraw/zinc/00/02/35/203000235.db2.gz MVEVGTOTUQXMPY-CYBMUJFWSA-N 2 2 300.362 1.195 40 0 DDABLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCn2cc[nH+]c2)cc1 ZINC000257298826 203023898 /nfs/dbraw/zinc/02/38/98/203023898.db2.gz RNKWHTFLFWUAPB-INIZCTEOSA-N 2 2 314.389 1.455 40 0 DDABLP CNc1cc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257298698 203024266 /nfs/dbraw/zinc/02/42/66/203024266.db2.gz RMXQPXWIRZCJBU-HNNXBMFYSA-N 2 2 318.421 1.162 40 0 DDABLP CNc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257298698 203024268 /nfs/dbraw/zinc/02/42/68/203024268.db2.gz RMXQPXWIRZCJBU-HNNXBMFYSA-N 2 2 318.421 1.162 40 0 DDABLP C[NH+](C)CCC[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1O ZINC000012146521 406837605 /nfs/dbraw/zinc/83/76/05/406837605.db2.gz KRYFIMHSNIDDSE-IAGOWNOFSA-N 2 2 309.429 1.302 40 0 DDABLP C[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000012146521 406837609 /nfs/dbraw/zinc/83/76/09/406837609.db2.gz KRYFIMHSNIDDSE-IAGOWNOFSA-N 2 2 309.429 1.302 40 0 DDABLP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000012146521 406837613 /nfs/dbraw/zinc/83/76/13/406837613.db2.gz KRYFIMHSNIDDSE-IAGOWNOFSA-N 2 2 309.429 1.302 40 0 DDABLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096075247 407234768 /nfs/dbraw/zinc/23/47/68/407234768.db2.gz VVLVHDPHLTVJOV-UHFFFAOYSA-N 2 2 302.422 1.258 40 0 DDABLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096075247 407234770 /nfs/dbraw/zinc/23/47/70/407234770.db2.gz VVLVHDPHLTVJOV-UHFFFAOYSA-N 2 2 302.422 1.258 40 0 DDABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(c2ncccn2)C1 ZINC000096188282 407245845 /nfs/dbraw/zinc/24/58/45/407245845.db2.gz SXMPTHTXGPKTLT-CQSZACIVSA-N 2 2 300.410 1.651 40 0 DDABLP CCCn1ccnc1C[N@@H+]1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257225780 407503325 /nfs/dbraw/zinc/50/33/25/407503325.db2.gz FHTPQJUBVPYHLE-GJZGRUSLSA-N 2 2 303.410 1.688 40 0 DDABLP CCCn1ccnc1C[N@H+]1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257225780 407503330 /nfs/dbraw/zinc/50/33/30/407503330.db2.gz FHTPQJUBVPYHLE-GJZGRUSLSA-N 2 2 303.410 1.688 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2cnccn2)n1 ZINC000257312778 203036866 /nfs/dbraw/zinc/03/68/66/203036866.db2.gz UPLRQUPIKDNMPB-INIZCTEOSA-N 2 2 312.421 1.974 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cnccn2)n1 ZINC000257312778 203036870 /nfs/dbraw/zinc/03/68/70/203036870.db2.gz UPLRQUPIKDNMPB-INIZCTEOSA-N 2 2 312.421 1.974 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@H]2OCC[N@H+](CC3CC3)[C@H]2CC1 ZINC000096249311 407255763 /nfs/dbraw/zinc/25/57/63/407255763.db2.gz FKIFHMHNOSPOFO-JKSUJKDBSA-N 2 2 304.438 1.495 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@H]2OCC[N@@H+](CC3CC3)[C@H]2CC1 ZINC000096249311 407255765 /nfs/dbraw/zinc/25/57/65/407255765.db2.gz FKIFHMHNOSPOFO-JKSUJKDBSA-N 2 2 304.438 1.495 40 0 DDABLP c1csc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC000096196853 407246338 /nfs/dbraw/zinc/24/63/38/407246338.db2.gz LQHCPAGQMUARRB-UHFFFAOYSA-N 2 2 317.462 1.994 40 0 DDABLP c1csc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC000096196853 407246341 /nfs/dbraw/zinc/24/63/41/407246341.db2.gz LQHCPAGQMUARRB-UHFFFAOYSA-N 2 2 317.462 1.994 40 0 DDABLP C[NH+](C)[C@@H]1COC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000096185721 407244137 /nfs/dbraw/zinc/24/41/37/407244137.db2.gz XLSTXYOGQDXJQS-SOUVJXGZSA-N 2 2 304.390 1.424 40 0 DDABLP C[NH+](C)[C@@H]1COC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000096185721 407244139 /nfs/dbraw/zinc/24/41/39/407244139.db2.gz XLSTXYOGQDXJQS-SOUVJXGZSA-N 2 2 304.390 1.424 40 0 DDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107738928 407379488 /nfs/dbraw/zinc/37/94/88/407379488.db2.gz XSEIVZXKEXULGO-DLBZAZTESA-N 2 2 317.389 1.784 40 0 DDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000107738928 407379489 /nfs/dbraw/zinc/37/94/89/407379489.db2.gz XSEIVZXKEXULGO-DLBZAZTESA-N 2 2 317.389 1.784 40 0 DDABLP Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH+]1 ZINC000257222829 407504085 /nfs/dbraw/zinc/50/40/85/407504085.db2.gz DUVBVDCADNLRSN-ZDUSSCGKSA-N 2 2 313.405 1.738 40 0 DDABLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1c1ccccc1 ZINC000262205260 407766410 /nfs/dbraw/zinc/76/64/10/407766410.db2.gz KYRGDVUTAZURIL-RDBSUJKOSA-N 2 2 309.360 1.185 40 0 DDABLP CCNc1cc(-c2ccncc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328965694 410024888 /nfs/dbraw/zinc/02/48/88/410024888.db2.gz CFJGXKQQLQLMRC-UHFFFAOYSA-N 2 2 300.410 1.178 40 0 DDABLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000332271642 410033107 /nfs/dbraw/zinc/03/31/07/410033107.db2.gz FLIFLWNJGUKRHC-UHFFFAOYSA-N 2 2 318.465 1.618 40 0 DDABLP CC(C)(C)Nc1nc(NCC[NH+]2CCOCC2)cc(C2CC2)[nH+]1 ZINC000329069013 410081531 /nfs/dbraw/zinc/08/15/31/410081531.db2.gz YUCUYIHPUBGULI-UHFFFAOYSA-N 2 2 319.453 2.309 40 0 DDABLP Cc1ncc(C[N@H+]2CC[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257306111 203029932 /nfs/dbraw/zinc/02/99/32/203029932.db2.gz SSYNGEVSXROKIT-AWEZNQCLSA-N 2 2 300.410 1.559 40 0 DDABLP Cc1ncc(C[N@@H+]2CC[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257306111 203029935 /nfs/dbraw/zinc/02/99/35/203029935.db2.gz SSYNGEVSXROKIT-AWEZNQCLSA-N 2 2 300.410 1.559 40 0 DDABLP Cc1ncc(C[N@H+]2CC[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257306111 203029938 /nfs/dbraw/zinc/02/99/38/203029938.db2.gz SSYNGEVSXROKIT-AWEZNQCLSA-N 2 2 300.410 1.559 40 0 DDABLP Cc1ncc(C[N@@H+]2CC[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257306111 203029941 /nfs/dbraw/zinc/02/99/41/203029941.db2.gz SSYNGEVSXROKIT-AWEZNQCLSA-N 2 2 300.410 1.559 40 0 DDABLP Cn1nccc1C[N@@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257308797 203034028 /nfs/dbraw/zinc/03/40/28/203034028.db2.gz TYCZEBQKGLNZAX-HNNXBMFYSA-N 2 2 301.394 1.231 40 0 DDABLP Cn1nccc1C[N@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257308797 203034032 /nfs/dbraw/zinc/03/40/32/203034032.db2.gz TYCZEBQKGLNZAX-HNNXBMFYSA-N 2 2 301.394 1.231 40 0 DDABLP S=C(NC[NH+]1CCCCC1)C(=S)NC[NH+]1CCCCC1 ZINC000034707364 406964729 /nfs/dbraw/zinc/96/47/29/406964729.db2.gz ULTZRPKDLGCMKO-UHFFFAOYSA-N 2 2 314.524 1.707 40 0 DDABLP CN1c2cccnc2C[N@H+](C2CC[NH+](C)CC2)CC[C@H]1CO ZINC000225496309 277027213 /nfs/dbraw/zinc/02/72/13/277027213.db2.gz KMXBYQCKHKSUPE-HNNXBMFYSA-N 2 2 304.438 1.179 40 0 biogenic,in-vitro DDABLP CN1c2cccnc2C[N@@H+](C2CC[NH+](C)CC2)CC[C@H]1CO ZINC000225496309 277027214 /nfs/dbraw/zinc/02/72/14/277027214.db2.gz KMXBYQCKHKSUPE-HNNXBMFYSA-N 2 2 304.438 1.179 40 0 biogenic,in-vitro DDABLP O=C1NCC[N@H+](CC2CC2)C12CC[NH+](Cc1ccccc1)CC2 ZINC000096230190 407253590 /nfs/dbraw/zinc/25/35/90/407253590.db2.gz RUPOGEKGUJVQPV-UHFFFAOYSA-N 2 2 313.445 1.863 40 0 DDABLP O=C1NCC[N@@H+](CC2CC2)C12CC[NH+](Cc1ccccc1)CC2 ZINC000096230190 407253592 /nfs/dbraw/zinc/25/35/92/407253592.db2.gz RUPOGEKGUJVQPV-UHFFFAOYSA-N 2 2 313.445 1.863 40 0 DDABLP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccn1 ZINC000096249925 407255832 /nfs/dbraw/zinc/25/58/32/407255832.db2.gz XPSJVVLFIAESIP-SZMVWBNQSA-N 2 2 319.449 1.639 40 0 DDABLP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccn1 ZINC000096249925 407255833 /nfs/dbraw/zinc/25/58/33/407255833.db2.gz XPSJVVLFIAESIP-SZMVWBNQSA-N 2 2 319.449 1.639 40 0 DDABLP Cc1cc(N(C)C)cc([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)[nH+]1 ZINC000257216955 407500148 /nfs/dbraw/zinc/50/01/48/407500148.db2.gz CWVQILZCUMYNCF-INIZCTEOSA-N 2 2 315.421 1.763 40 0 DDABLP CC[NH+]1CCC(O)(c2csc(CN3CC[NH+](C)CC3)n2)CC1 ZINC000225424769 407583921 /nfs/dbraw/zinc/58/39/21/407583921.db2.gz GLLRRDQJEBQZBV-UHFFFAOYSA-N 2 2 324.494 1.194 40 0 biogenic,in-vitro DDABLP Cc1cccc(N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)[nH+]1 ZINC000257260745 407522590 /nfs/dbraw/zinc/52/25/90/407522590.db2.gz LEDOOUVBOSDYHK-OAHLLOKOSA-N 2 2 313.405 1.762 40 0 DDABLP C[NH+](C)CCC[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000026439544 406904324 /nfs/dbraw/zinc/90/43/24/406904324.db2.gz QRGVPPOXBQVMTI-UHFFFAOYSA-N 2 2 322.428 1.016 40 0 DDABLP c1cc2n(n1)C[C@H](C[NH+]1CCCC1)C[N@@H+](CC1CCOCC1)C2 ZINC000253478665 407452251 /nfs/dbraw/zinc/45/22/51/407452251.db2.gz MKENVJZGDBBBAZ-QGZVFWFLSA-N 2 2 318.465 1.837 40 0 DDABLP c1cc2n(n1)C[C@H](C[NH+]1CCCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253478665 407452256 /nfs/dbraw/zinc/45/22/56/407452256.db2.gz MKENVJZGDBBBAZ-QGZVFWFLSA-N 2 2 318.465 1.837 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2CC1 ZINC000248103585 408533212 /nfs/dbraw/zinc/53/32/12/408533212.db2.gz FKIFHMHNOSPOFO-HOTGVXAUSA-N 2 2 304.438 1.495 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2CC1 ZINC000248103585 408533215 /nfs/dbraw/zinc/53/32/15/408533215.db2.gz FKIFHMHNOSPOFO-HOTGVXAUSA-N 2 2 304.438 1.495 40 0 DDABLP CC[NH+](CC)C[C@H]1CN(C(=O)c2cccn2C)Cc2c[nH+]cn21 ZINC000248153416 408540947 /nfs/dbraw/zinc/54/09/47/408540947.db2.gz UZAUBLFOXONKDB-HNNXBMFYSA-N 2 2 315.421 1.761 40 0 DDABLP Cn1cc[nH+]c1CN1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257305390 203030643 /nfs/dbraw/zinc/03/06/43/203030643.db2.gz SPUKYPABDXMTTK-AWEZNQCLSA-N 2 2 300.410 1.609 40 0 DDABLP Cn1nccc1C[N@@H+]1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257308798 203034720 /nfs/dbraw/zinc/03/47/20/203034720.db2.gz TYCZEBQKGLNZAX-OAHLLOKOSA-N 2 2 301.394 1.231 40 0 DDABLP Cn1nccc1C[N@H+]1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257308798 203034723 /nfs/dbraw/zinc/03/47/23/203034723.db2.gz TYCZEBQKGLNZAX-OAHLLOKOSA-N 2 2 301.394 1.231 40 0 DDABLP Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)[nH+]1 ZINC000257327797 203051205 /nfs/dbraw/zinc/05/12/05/203051205.db2.gz XCTYEKBQCVRKNY-CQSZACIVSA-N 2 2 301.394 1.640 40 0 DDABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(C2CCOCC2)C1 ZINC000096066919 407233680 /nfs/dbraw/zinc/23/36/80/407233680.db2.gz JRBSLZRZBLSWMY-HNNXBMFYSA-N 2 2 306.454 1.836 40 0 DDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096066896 407233856 /nfs/dbraw/zinc/23/38/56/407233856.db2.gz ZQEZOEWBAUZMJY-CYBMUJFWSA-N 2 2 318.446 1.707 40 0 DDABLP c1cc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)n[nH]1 ZINC000257200939 407490647 /nfs/dbraw/zinc/49/06/47/407490647.db2.gz AFKDBPIPYSQKAD-CYBMUJFWSA-N 2 2 309.377 1.765 40 0 DDABLP c1cc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)n[nH]1 ZINC000257200939 407490648 /nfs/dbraw/zinc/49/06/48/407490648.db2.gz AFKDBPIPYSQKAD-CYBMUJFWSA-N 2 2 309.377 1.765 40 0 DDABLP CC[N@H+](Cc1ccncc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257275605 203004484 /nfs/dbraw/zinc/00/44/84/203004484.db2.gz NQBMEAPPOHOILF-INIZCTEOSA-N 2 2 314.393 1.252 40 0 DDABLP CC[N@@H+](Cc1ccncc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257275605 203004486 /nfs/dbraw/zinc/00/44/86/203004486.db2.gz NQBMEAPPOHOILF-INIZCTEOSA-N 2 2 314.393 1.252 40 0 DDABLP c1csc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)n1 ZINC000096056249 407229303 /nfs/dbraw/zinc/22/93/03/407229303.db2.gz YKHLMYUBVXAMSM-SOUVJXGZSA-N 2 2 323.462 1.312 40 0 DDABLP c1csc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)n1 ZINC000096056249 407229306 /nfs/dbraw/zinc/22/93/06/407229306.db2.gz YKHLMYUBVXAMSM-SOUVJXGZSA-N 2 2 323.462 1.312 40 0 DDABLP c1cc(C[N@H+]2CCc3[nH+]cc(CN4CCOCC4)n3CC2)co1 ZINC000096196902 407246796 /nfs/dbraw/zinc/24/67/96/407246796.db2.gz FJBMMDQOLWNOJJ-UHFFFAOYSA-N 2 2 316.405 1.367 40 0 DDABLP c1cc(C[N@@H+]2CCc3[nH+]cc(CN4CCOCC4)n3CC2)co1 ZINC000096196902 407246797 /nfs/dbraw/zinc/24/67/97/407246797.db2.gz FJBMMDQOLWNOJJ-UHFFFAOYSA-N 2 2 316.405 1.367 40 0 DDABLP CCN(C[C@H]1CC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411566 185170149 /nfs/dbraw/zinc/17/01/49/185170149.db2.gz PXWKDVJZKRAZMV-INIZCTEOSA-N 2 2 305.422 1.926 40 0 DDABLP CCN(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411566 185170150 /nfs/dbraw/zinc/17/01/50/185170150.db2.gz PXWKDVJZKRAZMV-INIZCTEOSA-N 2 2 305.422 1.926 40 0 DDABLP c1cncc(C[NH+]2CC3(C2)CC[C@H](C[NH+]2CCOCC2)CO3)c1 ZINC000253596887 407462231 /nfs/dbraw/zinc/46/22/31/407462231.db2.gz XMTJRWQNHBBODE-QGZVFWFLSA-N 2 2 317.433 1.395 40 0 DDABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc[nH]2)C1 ZINC000096188291 407246157 /nfs/dbraw/zinc/24/61/57/407246157.db2.gz CAKVBKVDBIUWSM-AWEZNQCLSA-N 2 2 315.421 1.825 40 0 DDABLP Cn1nccc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257214085 407497658 /nfs/dbraw/zinc/49/76/58/407497658.db2.gz CKLOIIOPQFGEGE-CQSZACIVSA-N 2 2 323.404 1.775 40 0 DDABLP Cn1nccc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257214085 407497667 /nfs/dbraw/zinc/49/76/67/407497667.db2.gz CKLOIIOPQFGEGE-CQSZACIVSA-N 2 2 323.404 1.775 40 0 DDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072378777 191140608 /nfs/dbraw/zinc/14/06/08/191140608.db2.gz MYNAHIYFFLEHBN-CQSZACIVSA-N 2 2 314.393 1.196 40 0 DDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072378777 191140611 /nfs/dbraw/zinc/14/06/11/191140611.db2.gz MYNAHIYFFLEHBN-CQSZACIVSA-N 2 2 314.393 1.196 40 0 DDABLP C[NH+](C)Cc1cnc([C@@H]2C[N@H+](CC3CCOCC3)CCO2)[nH]1 ZINC000257270678 203000278 /nfs/dbraw/zinc/00/02/78/203000278.db2.gz MVFRPTMPRVBXRK-HNNXBMFYSA-N 2 2 308.426 1.271 40 0 DDABLP C[NH+](C)Cc1cnc([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)[nH]1 ZINC000257270678 203000282 /nfs/dbraw/zinc/00/02/82/203000282.db2.gz MVFRPTMPRVBXRK-HNNXBMFYSA-N 2 2 308.426 1.271 40 0 DDABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257270678 203000285 /nfs/dbraw/zinc/00/02/85/203000285.db2.gz MVFRPTMPRVBXRK-HNNXBMFYSA-N 2 2 308.426 1.271 40 0 DDABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257270678 203000288 /nfs/dbraw/zinc/00/02/88/203000288.db2.gz MVFRPTMPRVBXRK-HNNXBMFYSA-N 2 2 308.426 1.271 40 0 DDABLP Cc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(C[NH+]2CCOCC2)C1 ZINC000096108279 407237480 /nfs/dbraw/zinc/23/74/80/407237480.db2.gz XCVWXEDXZYCGKS-MOPGFXCFSA-N 2 2 316.445 1.776 40 0 DDABLP Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(C[NH+]2CCOCC2)C1 ZINC000096108279 407237481 /nfs/dbraw/zinc/23/74/81/407237481.db2.gz XCVWXEDXZYCGKS-MOPGFXCFSA-N 2 2 316.445 1.776 40 0 DDABLP O=C(C1CC[NH2+]CC1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257220190 407500593 /nfs/dbraw/zinc/50/05/93/407500593.db2.gz DJXYSAPRFXIECD-MRXNPFEDSA-N 2 2 310.401 1.966 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000257334461 203056612 /nfs/dbraw/zinc/05/66/12/203056612.db2.gz YFZFIDJNXQZZKB-MRXNPFEDSA-N 2 2 314.437 1.917 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257334461 203056615 /nfs/dbraw/zinc/05/66/15/203056615.db2.gz YFZFIDJNXQZZKB-MRXNPFEDSA-N 2 2 314.437 1.917 40 0 DDABLP [NH3+][C@@H](c1nnc(CC[NH+]2CCOCC2)[nH]1)c1ccc(Cl)cc1 ZINC000095533985 407215279 /nfs/dbraw/zinc/21/52/79/407215279.db2.gz IUVZTHAGERCKNA-CQSZACIVSA-N 2 2 321.812 1.381 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)cn1 ZINC000096049473 407227566 /nfs/dbraw/zinc/22/75/66/407227566.db2.gz BVNWNWMDESXAAI-GOSISDBHSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)cn1 ZINC000096049473 407227567 /nfs/dbraw/zinc/22/75/67/407227567.db2.gz BVNWNWMDESXAAI-GOSISDBHSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)cn1 ZINC000096049473 407227568 /nfs/dbraw/zinc/22/75/68/407227568.db2.gz BVNWNWMDESXAAI-GOSISDBHSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)cn1 ZINC000096049473 407227569 /nfs/dbraw/zinc/22/75/69/407227569.db2.gz BVNWNWMDESXAAI-GOSISDBHSA-N 2 2 318.465 1.745 40 0 DDABLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3ccncc3)COC2)no1 ZINC000067897813 407289380 /nfs/dbraw/zinc/28/93/80/407289380.db2.gz KKXBMXMUEAUTQJ-UHFFFAOYSA-N 2 2 302.378 1.233 40 0 biogenic,in-vitro DDABLP Cc1c(C[N@@H+]2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)cnn1C ZINC000257271703 407528449 /nfs/dbraw/zinc/52/84/49/407528449.db2.gz MZKYKQLXIRFNAV-INIZCTEOSA-N 2 2 301.394 1.588 40 0 DDABLP Cc1c(C[N@H+]2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)cnn1C ZINC000257271703 407528457 /nfs/dbraw/zinc/52/84/57/407528457.db2.gz MZKYKQLXIRFNAV-INIZCTEOSA-N 2 2 301.394 1.588 40 0 DDABLP Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cn1 ZINC000248094348 408535057 /nfs/dbraw/zinc/53/50/57/408535057.db2.gz CUTARBHRWUUSFN-ARFHVFGLSA-N 2 2 313.405 1.374 40 0 DDABLP Cn1cc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cn1 ZINC000248094348 408535062 /nfs/dbraw/zinc/53/50/62/408535062.db2.gz CUTARBHRWUUSFN-ARFHVFGLSA-N 2 2 313.405 1.374 40 0 DDABLP CNc1cc([C@H]2CCCN2C(=O)CC[NH+]2CCOCC2)cc[nH+]1 ZINC000257334437 203056876 /nfs/dbraw/zinc/05/68/76/203056876.db2.gz YFWCVJBHKAUWMA-OAHLLOKOSA-N 2 2 318.421 1.509 40 0 DDABLP CCOC[C@@H]1CN(CC[NH+]2CCCCC2)Cc2[nH+]cn(C)c21 ZINC000096068627 286153072 /nfs/dbraw/zinc/15/30/72/286153072.db2.gz CZPBQRDYSOEBTH-HNNXBMFYSA-N 2 2 306.454 1.842 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096062312 407232588 /nfs/dbraw/zinc/23/25/88/407232588.db2.gz IERNRLRHNPCFLV-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096062312 407232590 /nfs/dbraw/zinc/23/25/90/407232590.db2.gz IERNRLRHNPCFLV-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096062312 407232592 /nfs/dbraw/zinc/23/25/92/407232592.db2.gz IERNRLRHNPCFLV-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096062312 407232594 /nfs/dbraw/zinc/23/25/94/407232594.db2.gz IERNRLRHNPCFLV-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP CC[NH+](CC)C[C@H]1CN(S(=O)(=O)C2CC2)Cc2c[nH+]cn21 ZINC000248248249 408545646 /nfs/dbraw/zinc/54/56/46/408545646.db2.gz KQPOJWVPIURXPB-ZDUSSCGKSA-N 2 2 312.439 1.074 40 0 DDABLP C[NH+](C)C[C@@H]1CCC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)OC1 ZINC000248110054 408534186 /nfs/dbraw/zinc/53/41/86/408534186.db2.gz JYKWVQFORLSGHO-HNNXBMFYSA-N 2 2 318.417 1.958 40 0 DDABLP COCCN1CCCC2(CC[NH+](Cc3c[nH+]c(C)[nH]3)CC2)C1=O ZINC000108534586 407387318 /nfs/dbraw/zinc/38/73/18/407387318.db2.gz WGPFDUNSTWFLRN-UHFFFAOYSA-N 2 2 320.437 1.569 40 0 DDABLP Cn1nccc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257214084 407497028 /nfs/dbraw/zinc/49/70/28/407497028.db2.gz CKLOIIOPQFGEGE-AWEZNQCLSA-N 2 2 323.404 1.775 40 0 DDABLP Cn1nccc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257214084 407497032 /nfs/dbraw/zinc/49/70/32/407497032.db2.gz CKLOIIOPQFGEGE-AWEZNQCLSA-N 2 2 323.404 1.775 40 0 DDABLP C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3ncc[nH]3)CC2)cn1 ZINC000257262694 407526866 /nfs/dbraw/zinc/52/68/66/407526866.db2.gz LMLXLHJUUKBMQY-UHFFFAOYSA-N 2 2 314.437 1.716 40 0 DDABLP CNc1cc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257282927 407529869 /nfs/dbraw/zinc/52/98/69/407529869.db2.gz OVXJSZFXNXZGNX-HNNXBMFYSA-N 2 2 302.422 1.925 40 0 DDABLP CNc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257282927 407529873 /nfs/dbraw/zinc/52/98/73/407529873.db2.gz OVXJSZFXNXZGNX-HNNXBMFYSA-N 2 2 302.422 1.925 40 0 DDABLP CCOc1c(Cl)cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1OC ZINC000022076001 406888773 /nfs/dbraw/zinc/88/87/73/406888773.db2.gz BPQYFNRCANREJB-LLVKDONJSA-N 2 2 316.829 1.807 40 0 DDABLP Cn1nc(C[NH+]2CCCC2)c2c1C[N@H+](Cc1ccncc1)CC2 ZINC000096255900 407257603 /nfs/dbraw/zinc/25/76/03/407257603.db2.gz GWCPZDAPUMDDDG-UHFFFAOYSA-N 2 2 311.433 1.969 40 0 DDABLP Cn1nc(C[NH+]2CCCC2)c2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000096255900 407257604 /nfs/dbraw/zinc/25/76/04/407257604.db2.gz GWCPZDAPUMDDDG-UHFFFAOYSA-N 2 2 311.433 1.969 40 0 DDABLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096196895 407246697 /nfs/dbraw/zinc/24/66/97/407246697.db2.gz GFRRFSDXJZUPQN-OAHLLOKOSA-N 2 2 304.438 1.516 40 0 DDABLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096196895 407246699 /nfs/dbraw/zinc/24/66/99/407246699.db2.gz GFRRFSDXJZUPQN-OAHLLOKOSA-N 2 2 304.438 1.516 40 0 DDABLP Cc1ccc(NCc2c[nH+]c3n2CC[N@@H+](C(C)C)CC3)nn1 ZINC000096197134 407247372 /nfs/dbraw/zinc/24/73/72/407247372.db2.gz DLQZJWPIGPACRL-UHFFFAOYSA-N 2 2 300.410 1.860 40 0 DDABLP Cc1ccc(NCc2c[nH+]c3n2CC[N@H+](C(C)C)CC3)nn1 ZINC000096197134 407247375 /nfs/dbraw/zinc/24/73/75/407247375.db2.gz DLQZJWPIGPACRL-UHFFFAOYSA-N 2 2 300.410 1.860 40 0 DDABLP Cc1cccc(N2CCC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257301908 203025163 /nfs/dbraw/zinc/02/51/63/203025163.db2.gz SALXLKLGRVOECW-INIZCTEOSA-N 2 2 316.449 1.913 40 0 DDABLP Cc1cccc(N2CCC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257301908 203025166 /nfs/dbraw/zinc/02/51/66/203025166.db2.gz SALXLKLGRVOECW-INIZCTEOSA-N 2 2 316.449 1.913 40 0 DDABLP CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257302404 203028495 /nfs/dbraw/zinc/02/84/95/203028495.db2.gz SCUVFEZVYTUTLD-CYBMUJFWSA-N 2 2 301.394 1.504 40 0 DDABLP CCOC(=O)Cc1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC000022012840 182303841 /nfs/dbraw/zinc/30/38/41/182303841.db2.gz ANQVKHGDALCPFZ-UHFFFAOYSA-N 2 2 302.378 1.420 40 0 DDABLP c1cncc(C[NH+]2C[C@@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053769 407229232 /nfs/dbraw/zinc/22/92/32/407229232.db2.gz FLBDHEYDTAHNDA-ROUUACIJSA-N 2 2 301.434 1.872 40 0 DDABLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000096185604 407244649 /nfs/dbraw/zinc/24/46/49/407244649.db2.gz STQCHTRZSUKDOV-PMPSAXMXSA-N 2 2 301.394 1.466 40 0 DDABLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000096185604 407244650 /nfs/dbraw/zinc/24/46/50/407244650.db2.gz STQCHTRZSUKDOV-PMPSAXMXSA-N 2 2 301.394 1.466 40 0 DDABLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185604 407244651 /nfs/dbraw/zinc/24/46/51/407244651.db2.gz STQCHTRZSUKDOV-PMPSAXMXSA-N 2 2 301.394 1.466 40 0 DDABLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185604 407244652 /nfs/dbraw/zinc/24/46/52/407244652.db2.gz STQCHTRZSUKDOV-PMPSAXMXSA-N 2 2 301.394 1.466 40 0 DDABLP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000096051931 282141529 /nfs/dbraw/zinc/14/15/29/282141529.db2.gz IVOINTDQENNFQE-DZGCQCFKSA-N 2 2 311.451 1.312 40 0 DDABLP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000096051931 282141532 /nfs/dbraw/zinc/14/15/32/282141532.db2.gz IVOINTDQENNFQE-DZGCQCFKSA-N 2 2 311.451 1.312 40 0 DDABLP [NH3+]CC[N@H+](C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391854 185168449 /nfs/dbraw/zinc/16/84/49/185168449.db2.gz YZJZMZMHGNEDCT-MRXNPFEDSA-N 2 2 303.406 1.821 40 0 DDABLP [NH3+]CC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391854 185168450 /nfs/dbraw/zinc/16/84/50/185168450.db2.gz YZJZMZMHGNEDCT-MRXNPFEDSA-N 2 2 303.406 1.821 40 0 DDABLP COc1ccccc1CN1CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H](O)C1 ZINC000012146523 406837648 /nfs/dbraw/zinc/83/76/48/406837648.db2.gz OTOOICUUDYHVET-IAGOWNOFSA-N 2 2 321.465 1.172 40 0 DDABLP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000026439598 406904905 /nfs/dbraw/zinc/90/49/05/406904905.db2.gz NREDXCGDLDVSNW-UHFFFAOYSA-N 2 2 321.421 1.718 40 0 DDABLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnn(C)c1)C2 ZINC000096218546 407251636 /nfs/dbraw/zinc/25/16/36/407251636.db2.gz LOINRCARLPLBPA-ROUUACIJSA-N 2 2 318.465 1.600 40 0 DDABLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnn(C)c1)C2 ZINC000096218546 407251638 /nfs/dbraw/zinc/25/16/38/407251638.db2.gz LOINRCARLPLBPA-ROUUACIJSA-N 2 2 318.465 1.600 40 0 DDABLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096218546 407251640 /nfs/dbraw/zinc/25/16/40/407251640.db2.gz LOINRCARLPLBPA-ROUUACIJSA-N 2 2 318.465 1.600 40 0 DDABLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096218546 407251642 /nfs/dbraw/zinc/25/16/42/407251642.db2.gz LOINRCARLPLBPA-ROUUACIJSA-N 2 2 318.465 1.600 40 0 DDABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C[C@H]2CCOC2)C1 ZINC000107209217 407370881 /nfs/dbraw/zinc/37/08/81/407370881.db2.gz GIYJHOGSPCGPSI-CVEARBPZSA-N 2 2 306.454 1.692 40 0 DDABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C[C@H]2CCOC2)C1 ZINC000107209217 407370882 /nfs/dbraw/zinc/37/08/82/407370882.db2.gz GIYJHOGSPCGPSI-CVEARBPZSA-N 2 2 306.454 1.692 40 0 DDABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072378589 191141554 /nfs/dbraw/zinc/14/15/54/191141554.db2.gz PPOBSCKOUVUKNR-OAHLLOKOSA-N 2 2 313.405 1.801 40 0 DDABLP COc1ccccc1[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000257307656 203032416 /nfs/dbraw/zinc/03/24/16/203032416.db2.gz SZRWOCMSWOROAW-INIZCTEOSA-N 2 2 317.433 1.510 40 0 DDABLP COc1ccccc1[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CC[N@H+]1C ZINC000257307656 203032419 /nfs/dbraw/zinc/03/24/19/203032419.db2.gz SZRWOCMSWOROAW-INIZCTEOSA-N 2 2 317.433 1.510 40 0 DDABLP C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257326000 203048916 /nfs/dbraw/zinc/04/89/16/203048916.db2.gz WVJABJKSFSMAFC-HNNXBMFYSA-N 2 2 314.393 1.098 40 0 DDABLP CN1c2ncccc2C[N@H+](C2CC[NH+](C)CC2)CC[C@H]1CO ZINC000225492707 257215741 /nfs/dbraw/zinc/21/57/41/257215741.db2.gz UFGNRPDBHWXDQM-INIZCTEOSA-N 2 2 304.438 1.179 40 0 biogenic,in-vitro DDABLP CN1c2ncccc2C[N@@H+](C2CC[NH+](C)CC2)CC[C@H]1CO ZINC000225492707 257215742 /nfs/dbraw/zinc/21/57/42/257215742.db2.gz UFGNRPDBHWXDQM-INIZCTEOSA-N 2 2 304.438 1.179 40 0 biogenic,in-vitro DDABLP Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257266060 407526531 /nfs/dbraw/zinc/52/65/31/407526531.db2.gz MBKJYAPFIOYDIW-INIZCTEOSA-N 2 2 300.410 1.907 40 0 DDABLP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257266060 407526537 /nfs/dbraw/zinc/52/65/37/407526537.db2.gz MBKJYAPFIOYDIW-INIZCTEOSA-N 2 2 300.410 1.907 40 0 DDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257327035 203050966 /nfs/dbraw/zinc/05/09/66/203050966.db2.gz WZPFIMJXJXDOGF-OAHLLOKOSA-N 2 2 304.438 1.452 40 0 DDABLP CC[NH+]1CCC([N@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1 ZINC000257327035 203050971 /nfs/dbraw/zinc/05/09/71/203050971.db2.gz WZPFIMJXJXDOGF-OAHLLOKOSA-N 2 2 304.438 1.452 40 0 DDABLP CN1C(=O)c2ccccc2O[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC000514289233 257216424 /nfs/dbraw/zinc/21/64/24/257216424.db2.gz GJSGDEMDWXHONK-WBVHZDCISA-N 2 2 315.417 1.298 40 0 biogenic,in-vitro DDABLP CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC000514289233 257216425 /nfs/dbraw/zinc/21/64/25/257216425.db2.gz GJSGDEMDWXHONK-WBVHZDCISA-N 2 2 315.417 1.298 40 0 biogenic,in-vitro DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096201982 277226305 /nfs/dbraw/zinc/22/63/05/277226305.db2.gz XVDLGVYDQUUURI-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096201982 277226306 /nfs/dbraw/zinc/22/63/06/277226306.db2.gz XVDLGVYDQUUURI-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096201982 277226307 /nfs/dbraw/zinc/22/63/07/277226307.db2.gz XVDLGVYDQUUURI-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096201982 277226309 /nfs/dbraw/zinc/22/63/09/277226309.db2.gz XVDLGVYDQUUURI-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257296763 203021845 /nfs/dbraw/zinc/02/18/45/203021845.db2.gz REHQHTYICJLWKD-INIZCTEOSA-N 2 2 314.437 1.917 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257296763 203021849 /nfs/dbraw/zinc/02/18/49/203021849.db2.gz REHQHTYICJLWKD-INIZCTEOSA-N 2 2 314.437 1.917 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257326288 203049275 /nfs/dbraw/zinc/04/92/75/203049275.db2.gz WWQJWYHRXCRBTE-HNNXBMFYSA-N 2 2 300.410 1.609 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257326288 203049277 /nfs/dbraw/zinc/04/92/77/203049277.db2.gz WWQJWYHRXCRBTE-HNNXBMFYSA-N 2 2 300.410 1.609 40 0 DDABLP c1cc(OC[C@@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)cc[nH+]1 ZINC000096216554 407250553 /nfs/dbraw/zinc/25/05/53/407250553.db2.gz JEISBUHYTHJZBP-KBRIMQKVSA-N 2 2 304.390 1.586 40 0 DDABLP c1cc(OC[C@@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)cc[nH+]1 ZINC000096216554 407250555 /nfs/dbraw/zinc/25/05/55/407250555.db2.gz JEISBUHYTHJZBP-KBRIMQKVSA-N 2 2 304.390 1.586 40 0 DDABLP C[C@@]12C[C@H](CNC(=O)CCn3cc[nH+]c3)[NH2+][C@@H]1CCCC[C@@H]2O ZINC000257259528 407523069 /nfs/dbraw/zinc/52/30/69/407523069.db2.gz KYTQKMCAPNTUCB-PNBKFKSVSA-N 2 2 320.437 1.061 40 0 DDABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)[nH+]c1 ZINC000306129764 231086250 /nfs/dbraw/zinc/08/62/50/231086250.db2.gz IMHMNGLWDNHAHH-NUEKZKHPSA-N 2 2 303.406 1.619 40 0 DDABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)[nH+]c1 ZINC000306129764 231086254 /nfs/dbraw/zinc/08/62/54/231086254.db2.gz IMHMNGLWDNHAHH-NUEKZKHPSA-N 2 2 303.406 1.619 40 0 DDABLP Cc1cccc(N2CCC[C@@H]([N@H+](C)CC3(O)CCOCC3)C2)[nH+]1 ZINC000257293582 203018815 /nfs/dbraw/zinc/01/88/15/203018815.db2.gz QQFMSXGULHLBAA-MRXNPFEDSA-N 2 2 319.449 1.832 40 0 DDABLP Cc1cccc(N2CCC[C@@H]([N@@H+](C)CC3(O)CCOCC3)C2)[nH+]1 ZINC000257293582 203018819 /nfs/dbraw/zinc/01/88/19/203018819.db2.gz QQFMSXGULHLBAA-MRXNPFEDSA-N 2 2 319.449 1.832 40 0 DDABLP Cn1cc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257256819 407524007 /nfs/dbraw/zinc/52/40/07/407524007.db2.gz KNAPLDCTYRYKFZ-HNNXBMFYSA-N 2 2 301.394 1.231 40 0 DDABLP Cn1cc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257256819 407524013 /nfs/dbraw/zinc/52/40/13/407524013.db2.gz KNAPLDCTYRYKFZ-HNNXBMFYSA-N 2 2 301.394 1.231 40 0 DDABLP Cc1ccc([C@@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)cc1 ZINC000095534127 185379090 /nfs/dbraw/zinc/37/90/90/185379090.db2.gz ORKIQEZXHYGALF-OAHLLOKOSA-N 2 2 301.394 1.036 40 0 DDABLP O=C(C[NH+]1CCC(Cn2cc[nH+]c2)CC1)NCc1ccco1 ZINC000090470169 407167586 /nfs/dbraw/zinc/16/75/86/407167586.db2.gz QPFUJJBIRMAXRR-UHFFFAOYSA-N 2 2 302.378 1.505 40 0 DDABLP C[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201915 407248618 /nfs/dbraw/zinc/24/86/18/407248618.db2.gz BJZLSDIHKQPWDN-QGZVFWFLSA-N 2 2 304.390 1.569 40 0 DDABLP C[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201915 407248619 /nfs/dbraw/zinc/24/86/19/407248619.db2.gz BJZLSDIHKQPWDN-QGZVFWFLSA-N 2 2 304.390 1.569 40 0 DDABLP C[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201915 407248620 /nfs/dbraw/zinc/24/86/20/407248620.db2.gz BJZLSDIHKQPWDN-QGZVFWFLSA-N 2 2 304.390 1.569 40 0 DDABLP C[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201915 407248621 /nfs/dbraw/zinc/24/86/21/407248621.db2.gz BJZLSDIHKQPWDN-QGZVFWFLSA-N 2 2 304.390 1.569 40 0 DDABLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CC1 ZINC000257211768 407496962 /nfs/dbraw/zinc/49/69/62/407496962.db2.gz CAHRUNXZVJAQMO-DLBZAZTESA-N 2 2 316.449 1.996 40 0 DDABLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CC1 ZINC000257211768 407496967 /nfs/dbraw/zinc/49/69/67/407496967.db2.gz CAHRUNXZVJAQMO-DLBZAZTESA-N 2 2 316.449 1.996 40 0 DDABLP C[NH+](C)CCNc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000328984476 410036808 /nfs/dbraw/zinc/03/68/08/410036808.db2.gz HMVDHJYOAZWQBZ-UHFFFAOYSA-N 2 2 301.394 1.376 40 0 DDABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(C2CCOCC2)C1 ZINC000096066918 279125724 /nfs/dbraw/zinc/12/57/24/279125724.db2.gz JRBSLZRZBLSWMY-OAHLLOKOSA-N 2 2 306.454 1.836 40 0 DDABLP Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)ccc12 ZINC000098092034 484021471 /nfs/dbraw/zinc/02/14/71/484021471.db2.gz YSUYDFDITKBMJW-CYBMUJFWSA-N 2 2 312.329 1.333 40 0 DDABLP Cc1ncc(C[N@H+]2CC[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257306112 203029796 /nfs/dbraw/zinc/02/97/96/203029796.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 2 2 300.410 1.559 40 0 DDABLP Cc1ncc(C[N@@H+]2CC[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257306112 203029798 /nfs/dbraw/zinc/02/97/98/203029798.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 2 2 300.410 1.559 40 0 DDABLP Cc1ncc(C[N@H+]2CC[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257306112 203029802 /nfs/dbraw/zinc/02/98/02/203029802.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 2 2 300.410 1.559 40 0 DDABLP Cc1ncc(C[N@@H+]2CC[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)cn1 ZINC000257306112 203029803 /nfs/dbraw/zinc/02/98/03/203029803.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 2 2 300.410 1.559 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)cn1 ZINC000096049474 407227620 /nfs/dbraw/zinc/22/76/20/407227620.db2.gz BVNWNWMDESXAAI-SFHVURJKSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)cn1 ZINC000096049474 407227621 /nfs/dbraw/zinc/22/76/21/407227621.db2.gz BVNWNWMDESXAAI-SFHVURJKSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)cn1 ZINC000096049474 407227622 /nfs/dbraw/zinc/22/76/22/407227622.db2.gz BVNWNWMDESXAAI-SFHVURJKSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)cn1 ZINC000096049474 407227623 /nfs/dbraw/zinc/22/76/23/407227623.db2.gz BVNWNWMDESXAAI-SFHVURJKSA-N 2 2 318.465 1.745 40 0 DDABLP Cn1cc([C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290470 182112878 /nfs/dbraw/zinc/11/28/78/182112878.db2.gz VOZRGFQTKNFRPT-DLBZAZTESA-N 2 2 307.401 1.895 40 0 DDABLP Cn1cc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290470 182112880 /nfs/dbraw/zinc/11/28/80/182112880.db2.gz VOZRGFQTKNFRPT-DLBZAZTESA-N 2 2 307.401 1.895 40 0 DDABLP c1c(N2CC[NH2+]CC2)nc(N2CCCC2)[nH+]c1N1CCCC1 ZINC000002512488 406690412 /nfs/dbraw/zinc/69/04/12/406690412.db2.gz XTPTVAPEXHUUDR-UHFFFAOYSA-N 2 2 302.426 1.087 40 0 DDABLP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000022076418 406889554 /nfs/dbraw/zinc/88/95/54/406889554.db2.gz YXXIDYFHXASDSH-UHFFFAOYSA-N 2 2 306.431 1.999 40 0 DDABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000096197517 407248000 /nfs/dbraw/zinc/24/80/00/407248000.db2.gz MRPQLGJVFUWGBX-CQSZACIVSA-N 2 2 313.405 1.742 40 0 DDABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000096197517 407248001 /nfs/dbraw/zinc/24/80/01/407248001.db2.gz MRPQLGJVFUWGBX-CQSZACIVSA-N 2 2 313.405 1.742 40 0 DDABLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257228497 407506785 /nfs/dbraw/zinc/50/67/85/407506785.db2.gz FUCNSHVCSFLAHT-BFYDXBDKSA-N 2 2 320.437 1.109 40 0 DDABLP CCOC[C@@H]1CC[N@H+](C)C2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248136158 408538335 /nfs/dbraw/zinc/53/83/35/408538335.db2.gz RTMROSCXFFRXPM-CQSZACIVSA-N 2 2 319.453 1.480 40 0 DDABLP CCOC[C@@H]1CC[N@@H+](C)C2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248136158 408538339 /nfs/dbraw/zinc/53/83/39/408538339.db2.gz RTMROSCXFFRXPM-CQSZACIVSA-N 2 2 319.453 1.480 40 0 DDABLP CN(C)c1cc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000072369433 191139844 /nfs/dbraw/zinc/13/98/44/191139844.db2.gz IKBNHJAROXDXRM-INIZCTEOSA-N 2 2 316.449 1.949 40 0 DDABLP CN(C)c1cc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000072369433 191139846 /nfs/dbraw/zinc/13/98/46/191139846.db2.gz IKBNHJAROXDXRM-INIZCTEOSA-N 2 2 316.449 1.949 40 0 DDABLP CNc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257298699 203024082 /nfs/dbraw/zinc/02/40/82/203024082.db2.gz RMXQPXWIRZCJBU-OAHLLOKOSA-N 2 2 318.421 1.162 40 0 DDABLP CNc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000257298699 203024085 /nfs/dbraw/zinc/02/40/85/203024085.db2.gz RMXQPXWIRZCJBU-OAHLLOKOSA-N 2 2 318.421 1.162 40 0 DDABLP C[C@@]12C[C@H](C[NH3+])N(C(=O)CCn3cc[nH+]c3)[C@@H]1CCCC[C@H]2O ZINC000257300724 203025576 /nfs/dbraw/zinc/02/55/76/203025576.db2.gz RVLOGFSLHBIHBM-KCYZZUKISA-N 2 2 320.437 1.143 40 0 DDABLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnn(C)c1)C2 ZINC000096219962 407253266 /nfs/dbraw/zinc/25/32/66/407253266.db2.gz LOINRCARLPLBPA-MSOLQXFVSA-N 2 2 318.465 1.600 40 0 DDABLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnn(C)c1)C2 ZINC000096219962 407253268 /nfs/dbraw/zinc/25/32/68/407253268.db2.gz LOINRCARLPLBPA-MSOLQXFVSA-N 2 2 318.465 1.600 40 0 DDABLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096219962 407253270 /nfs/dbraw/zinc/25/32/70/407253270.db2.gz LOINRCARLPLBPA-MSOLQXFVSA-N 2 2 318.465 1.600 40 0 DDABLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096219962 407253271 /nfs/dbraw/zinc/25/32/71/407253271.db2.gz LOINRCARLPLBPA-MSOLQXFVSA-N 2 2 318.465 1.600 40 0 DDABLP Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(CC[NH+]1CCCC1)C2 ZINC000096044939 407226592 /nfs/dbraw/zinc/22/65/92/407226592.db2.gz NIHGXXZNRPHYFS-MRXNPFEDSA-N 2 2 318.465 1.842 40 0 DDABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096197516 407247852 /nfs/dbraw/zinc/24/78/52/407247852.db2.gz MRPQLGJVFUWGBX-AWEZNQCLSA-N 2 2 313.405 1.742 40 0 DDABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096197516 407247854 /nfs/dbraw/zinc/24/78/54/407247854.db2.gz MRPQLGJVFUWGBX-AWEZNQCLSA-N 2 2 313.405 1.742 40 0 DDABLP Cc1cc(N(C)C)cc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)[nH+]1 ZINC000257216956 407500329 /nfs/dbraw/zinc/50/03/29/407500329.db2.gz CWVQILZCUMYNCF-MRXNPFEDSA-N 2 2 315.421 1.763 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257219803 407500821 /nfs/dbraw/zinc/50/08/21/407500821.db2.gz DIFUNKNSNRLVLI-CQSZACIVSA-N 2 2 305.426 1.072 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257219803 407500823 /nfs/dbraw/zinc/50/08/23/407500823.db2.gz DIFUNKNSNRLVLI-CQSZACIVSA-N 2 2 305.426 1.072 40 0 DDABLP C[NH+](C)C[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2c[nH+]cn21 ZINC000248149014 408539249 /nfs/dbraw/zinc/53/92/49/408539249.db2.gz WTYKVWBKKXMSBP-ZDUSSCGKSA-N 2 2 315.377 1.507 40 0 DDABLP C[N@@H+]1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381660 359744778 /nfs/dbraw/zinc/74/47/78/359744778.db2.gz JTKHOBRHDFXFNC-CQSZACIVSA-N 2 2 315.408 1.265 40 0 biogenic,in-vitro DDABLP C[N@H+]1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381660 359744784 /nfs/dbraw/zinc/74/47/84/359744784.db2.gz JTKHOBRHDFXFNC-CQSZACIVSA-N 2 2 315.408 1.265 40 0 biogenic,in-vitro DDABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072378776 406881824 /nfs/dbraw/zinc/88/18/24/406881824.db2.gz MYNAHIYFFLEHBN-AWEZNQCLSA-N 2 2 314.393 1.196 40 0 DDABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072378776 406881826 /nfs/dbraw/zinc/88/18/26/406881826.db2.gz MYNAHIYFFLEHBN-AWEZNQCLSA-N 2 2 314.393 1.196 40 0 DDABLP c1cc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)cs1 ZINC000096056248 407228932 /nfs/dbraw/zinc/22/89/32/407228932.db2.gz HTLNRBVEWGYVII-YESZJQIVSA-N 2 2 322.474 1.917 40 0 DDABLP c1cc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)cs1 ZINC000096056248 407228934 /nfs/dbraw/zinc/22/89/34/407228934.db2.gz HTLNRBVEWGYVII-YESZJQIVSA-N 2 2 322.474 1.917 40 0 DDABLP Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096108273 407238087 /nfs/dbraw/zinc/23/80/87/407238087.db2.gz QTEONVZLJUUIBS-MOPGFXCFSA-N 2 2 316.445 1.776 40 0 DDABLP Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096108273 407238088 /nfs/dbraw/zinc/23/80/88/407238088.db2.gz QTEONVZLJUUIBS-MOPGFXCFSA-N 2 2 316.445 1.776 40 0 DDABLP Cc1cc(NCc2[nH+]ccn2C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365428 191134244 /nfs/dbraw/zinc/13/42/44/191134244.db2.gz AOUSLIUBRULLEP-CYBMUJFWSA-N 2 2 300.410 1.940 40 0 DDABLP Cc1cc(NCc2[nH+]ccn2C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365428 191134247 /nfs/dbraw/zinc/13/42/47/191134247.db2.gz AOUSLIUBRULLEP-CYBMUJFWSA-N 2 2 300.410 1.940 40 0 DDABLP Cc1cccc(N2CCC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257301909 203025239 /nfs/dbraw/zinc/02/52/39/203025239.db2.gz SALXLKLGRVOECW-MRXNPFEDSA-N 2 2 316.449 1.913 40 0 DDABLP Cc1cccc(N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)[nH+]1 ZINC000257301909 203025242 /nfs/dbraw/zinc/02/52/42/203025242.db2.gz SALXLKLGRVOECW-MRXNPFEDSA-N 2 2 316.449 1.913 40 0 DDABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3C2)nc1 ZINC000096053831 407229672 /nfs/dbraw/zinc/22/96/72/407229672.db2.gz VSOYUFAVQXDJRL-CALCHBBNSA-N 2 2 301.434 1.872 40 0 DDABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3C2)nc1 ZINC000096053831 407229674 /nfs/dbraw/zinc/22/96/74/407229674.db2.gz VSOYUFAVQXDJRL-CALCHBBNSA-N 2 2 301.434 1.872 40 0 DDABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)nc1 ZINC000096053831 407229677 /nfs/dbraw/zinc/22/96/77/407229677.db2.gz VSOYUFAVQXDJRL-CALCHBBNSA-N 2 2 301.434 1.872 40 0 DDABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)nc1 ZINC000096053831 407229679 /nfs/dbraw/zinc/22/96/79/407229679.db2.gz VSOYUFAVQXDJRL-CALCHBBNSA-N 2 2 301.434 1.872 40 0 DDABLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1CC1CC1 ZINC000096062033 407231758 /nfs/dbraw/zinc/23/17/58/407231758.db2.gz HIQYKCKTGIVVDU-AWEZNQCLSA-N 2 2 303.454 1.417 40 0 DDABLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1CC1CC1 ZINC000096062033 407231759 /nfs/dbraw/zinc/23/17/59/407231759.db2.gz HIQYKCKTGIVVDU-AWEZNQCLSA-N 2 2 303.454 1.417 40 0 DDABLP CC(C)[N@H+](C)Cc1noc2c1CN(Cc1c[nH+]cn1C)CC2 ZINC000096084815 407235941 /nfs/dbraw/zinc/23/59/41/407235941.db2.gz CQVFYTUQTSVFCQ-UHFFFAOYSA-N 2 2 303.410 1.807 40 0 DDABLP CC(C)[N@@H+](C)Cc1noc2c1CN(Cc1c[nH+]cn1C)CC2 ZINC000096084815 407235943 /nfs/dbraw/zinc/23/59/43/407235943.db2.gz CQVFYTUQTSVFCQ-UHFFFAOYSA-N 2 2 303.410 1.807 40 0 DDABLP CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@H](C[N@H+](C)C(C)C)C1 ZINC000096188340 407245796 /nfs/dbraw/zinc/24/57/96/407245796.db2.gz UBKIJZVVIJCPDF-AWEZNQCLSA-N 2 2 307.442 1.773 40 0 DDABLP CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@H](C[N@@H+](C)C(C)C)C1 ZINC000096188340 407245798 /nfs/dbraw/zinc/24/57/98/407245798.db2.gz UBKIJZVVIJCPDF-AWEZNQCLSA-N 2 2 307.442 1.773 40 0 DDABLP CNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000329014757 410050987 /nfs/dbraw/zinc/05/09/87/410050987.db2.gz MXSKCSDZTQMKER-UHFFFAOYSA-N 2 2 311.433 1.831 40 0 DDABLP CC(C)Nc1cc(-c2ccncc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329070029 410085231 /nfs/dbraw/zinc/08/52/31/410085231.db2.gz ZDDGXTPFRBIAQE-UHFFFAOYSA-N 2 2 314.437 1.566 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2cnccn2)n1 ZINC000257312779 203036028 /nfs/dbraw/zinc/03/60/28/203036028.db2.gz UPLRQUPIKDNMPB-MRXNPFEDSA-N 2 2 312.421 1.974 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cnccn2)n1 ZINC000257312779 203036030 /nfs/dbraw/zinc/03/60/30/203036030.db2.gz UPLRQUPIKDNMPB-MRXNPFEDSA-N 2 2 312.421 1.974 40 0 DDABLP O=c1[nH]c2ccccc2cc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000013998950 406870492 /nfs/dbraw/zinc/87/04/92/406870492.db2.gz MMOWKVBJVHFXNH-UHFFFAOYSA-N 2 2 301.390 1.340 40 0 DDABLP Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)no1 ZINC000096215204 407250657 /nfs/dbraw/zinc/25/06/57/407250657.db2.gz JUUBCFFCXBQKGD-PBHICJAKSA-N 2 2 314.389 1.939 40 0 DDABLP Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)no1 ZINC000096215204 407250658 /nfs/dbraw/zinc/25/06/58/407250658.db2.gz JUUBCFFCXBQKGD-PBHICJAKSA-N 2 2 314.389 1.939 40 0 DDABLP COc1ccc(-c2nc(N3CC[NH2+]CC3)cc(C)[nH+]2)cc1OC ZINC000225321229 407580463 /nfs/dbraw/zinc/58/04/63/407580463.db2.gz YJPXIYCGUJCTGO-UHFFFAOYSA-N 2 2 314.389 1.879 40 0 DDABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2cnn(C)c2)C1 ZINC000096188278 276332327 /nfs/dbraw/zinc/33/23/27/276332327.db2.gz HPNUCABUQULSCO-INIZCTEOSA-N 2 2 316.453 1.590 40 0 DDABLP O=C(c1ccco1)N1CC[NH+](C2[C@@H]3CCC[C@H]2C[NH2+]C3)CC1 ZINC000019342126 182116961 /nfs/dbraw/zinc/11/69/61/182116961.db2.gz LXPYTHANVWIFDN-MZBDJJRSSA-N 2 2 303.406 1.426 40 0 DDABLP c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3CC2CCOCC2)c[nH+]1 ZINC000096250216 407255719 /nfs/dbraw/zinc/25/57/19/407255719.db2.gz BOPKJIKXOJLDEX-GVDBMIGSSA-N 2 2 305.422 1.789 40 0 DDABLP c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3CC2CCOCC2)c[nH+]1 ZINC000096250216 407255721 /nfs/dbraw/zinc/25/57/21/407255721.db2.gz BOPKJIKXOJLDEX-GVDBMIGSSA-N 2 2 305.422 1.789 40 0 DDABLP c1cn(Cc2nnn3c2C[N@H+](Cc2ccsc2)CCC3)c[nH+]1 ZINC000096259530 407256928 /nfs/dbraw/zinc/25/69/28/407256928.db2.gz FYVQOAFGDNBHOE-UHFFFAOYSA-N 2 2 314.418 1.990 40 0 DDABLP c1cn(Cc2nnn3c2C[N@@H+](Cc2ccsc2)CCC3)c[nH+]1 ZINC000096259530 407256930 /nfs/dbraw/zinc/25/69/30/407256930.db2.gz FYVQOAFGDNBHOE-UHFFFAOYSA-N 2 2 314.418 1.990 40 0 DDABLP Fc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096108274 407237639 /nfs/dbraw/zinc/23/76/39/407237639.db2.gz KRBZUNYZKHVZOA-AEFFLSMTSA-N 2 2 320.408 1.606 40 0 DDABLP Fc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096108274 407237642 /nfs/dbraw/zinc/23/76/42/407237642.db2.gz KRBZUNYZKHVZOA-AEFFLSMTSA-N 2 2 320.408 1.606 40 0 DDABLP C[N@@H+]1Cc2c[nH+]cn2[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000306136885 529830799 /nfs/dbraw/zinc/83/07/99/529830799.db2.gz QFQDLBIBDQDYPC-HNNXBMFYSA-N 2 2 303.435 1.776 40 0 DDABLP C[N@H+]1Cc2c[nH+]cn2[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000306136885 529830800 /nfs/dbraw/zinc/83/08/00/529830800.db2.gz QFQDLBIBDQDYPC-HNNXBMFYSA-N 2 2 303.435 1.776 40 0 DDABLP c1cn(Cc2noc3c2CN(CC[NH+]2CCCC2)CC3)c[nH+]1 ZINC000096259766 407258389 /nfs/dbraw/zinc/25/83/89/407258389.db2.gz WIJCNKQCROFASU-UHFFFAOYSA-N 2 2 301.394 1.373 40 0 DDABLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC000096049457 407227172 /nfs/dbraw/zinc/22/71/72/407227172.db2.gz DDTSJKFJBRKERG-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC000096049457 407227173 /nfs/dbraw/zinc/22/71/73/407227173.db2.gz DDTSJKFJBRKERG-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC000096049457 407227174 /nfs/dbraw/zinc/22/71/74/407227174.db2.gz DDTSJKFJBRKERG-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096049457 407227176 /nfs/dbraw/zinc/22/71/76/407227176.db2.gz DDTSJKFJBRKERG-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP Cc1occc1C(=O)N1Cc2[nH+]ccn2C[C@H](C[NH+](C)C)C1 ZINC000096188223 407245222 /nfs/dbraw/zinc/24/52/22/407245222.db2.gz GCRBQGWZUBWPRH-ZDUSSCGKSA-N 2 2 302.378 1.618 40 0 DDABLP Cc1occc1C(=O)N1Cc2[nH+]ccn2C[C@@H](C[NH+](C)C)C1 ZINC000096188225 407245738 /nfs/dbraw/zinc/24/57/38/407245738.db2.gz GCRBQGWZUBWPRH-CYBMUJFWSA-N 2 2 302.378 1.618 40 0 DDABLP Cc1cc(=O)[nH]c(NC(=[NH2+])N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000009926740 406817131 /nfs/dbraw/zinc/81/71/31/406817131.db2.gz SOVBXMXOOJRECK-UHFFFAOYSA-N 2 2 318.425 1.375 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000096062292 407232944 /nfs/dbraw/zinc/23/29/44/407232944.db2.gz WQAGMWFJZNXHND-MRXNPFEDSA-N 2 2 310.463 1.919 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000096062292 407232947 /nfs/dbraw/zinc/23/29/47/407232947.db2.gz WQAGMWFJZNXHND-MRXNPFEDSA-N 2 2 310.463 1.919 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096062292 407232950 /nfs/dbraw/zinc/23/29/50/407232950.db2.gz WQAGMWFJZNXHND-MRXNPFEDSA-N 2 2 310.463 1.919 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096062292 407232952 /nfs/dbraw/zinc/23/29/52/407232952.db2.gz WQAGMWFJZNXHND-MRXNPFEDSA-N 2 2 310.463 1.919 40 0 DDABLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cc[nH+]c1C ZINC000257299394 203023694 /nfs/dbraw/zinc/02/36/94/203023694.db2.gz RPXFBQHCBCYUGK-HNNXBMFYSA-N 2 2 314.389 1.373 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000096048553 407227071 /nfs/dbraw/zinc/22/70/71/407227071.db2.gz GMTRBYDZPCYKBM-JKSUJKDBSA-N 2 2 301.394 1.613 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000096048553 407227073 /nfs/dbraw/zinc/22/70/73/407227073.db2.gz GMTRBYDZPCYKBM-JKSUJKDBSA-N 2 2 301.394 1.613 40 0 DDABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C[C@H]2CCOC2)C1 ZINC000107209214 407371292 /nfs/dbraw/zinc/37/12/92/407371292.db2.gz GIYJHOGSPCGPSI-HZPDHXFCSA-N 2 2 306.454 1.692 40 0 DDABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C[C@H]2CCOC2)C1 ZINC000107209214 407371294 /nfs/dbraw/zinc/37/12/94/407371294.db2.gz GIYJHOGSPCGPSI-HZPDHXFCSA-N 2 2 306.454 1.692 40 0 DDABLP O=C(NCc1ccco1)[C@H]1C[N@@H+](C2CCC2)Cc2c[nH+]cn21 ZINC000247501844 408480638 /nfs/dbraw/zinc/48/06/38/408480638.db2.gz QGECYAQYKMDSPT-OAHLLOKOSA-N 2 2 300.362 1.702 40 0 DDABLP O=C(NCc1ccco1)[C@H]1C[N@H+](C2CCC2)Cc2c[nH+]cn21 ZINC000247501844 408480639 /nfs/dbraw/zinc/48/06/39/408480639.db2.gz QGECYAQYKMDSPT-OAHLLOKOSA-N 2 2 300.362 1.702 40 0 DDABLP C[C@H]1CCCN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228920794 257214581 /nfs/dbraw/zinc/21/45/81/257214581.db2.gz NUBSVEOLOFEHCB-LBPRGKRZSA-N 2 2 300.410 1.987 40 0 DDABLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215316 407250684 /nfs/dbraw/zinc/25/06/84/407250684.db2.gz HROQYYJYLPJDIN-GOSISDBHSA-N 2 2 316.449 1.458 40 0 DDABLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215316 407250685 /nfs/dbraw/zinc/25/06/85/407250685.db2.gz HROQYYJYLPJDIN-GOSISDBHSA-N 2 2 316.449 1.458 40 0 DDABLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096215316 407250687 /nfs/dbraw/zinc/25/06/87/407250687.db2.gz HROQYYJYLPJDIN-GOSISDBHSA-N 2 2 316.449 1.458 40 0 DDABLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096215316 407250689 /nfs/dbraw/zinc/25/06/89/407250689.db2.gz HROQYYJYLPJDIN-GOSISDBHSA-N 2 2 316.449 1.458 40 0 DDABLP c1coc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052053 407228615 /nfs/dbraw/zinc/22/86/15/407228615.db2.gz YRMDAMPUCRGRNC-WBVHZDCISA-N 2 2 317.389 1.784 40 0 DDABLP c1coc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052053 407228616 /nfs/dbraw/zinc/22/86/16/407228616.db2.gz YRMDAMPUCRGRNC-WBVHZDCISA-N 2 2 317.389 1.784 40 0 DDABLP C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3cc[nH]n3)CC2)cn1 ZINC000257249692 407516088 /nfs/dbraw/zinc/51/60/88/407516088.db2.gz JJJMKAJSINMXAV-UHFFFAOYSA-N 2 2 314.437 1.716 40 0 DDABLP COc1c2c(c([C@@](C)([NH3+])C(F)F)c3c1C[N@H+](C)CC3)OCO2 ZINC000252481622 257106569 /nfs/dbraw/zinc/10/65/69/257106569.db2.gz CPNHRZOXUMBUNK-OAHLLOKOSA-N 2 2 314.332 1.851 40 0 DDABLP COc1c2c(c([C@@](C)([NH3+])C(F)F)c3c1C[N@@H+](C)CC3)OCO2 ZINC000252481622 257106571 /nfs/dbraw/zinc/10/65/71/257106571.db2.gz CPNHRZOXUMBUNK-OAHLLOKOSA-N 2 2 314.332 1.851 40 0 DDABLP COc1cc(C[N@@H+]2C[C@@H]3C[NH+](C)CCO[C@@H]3C2)cc(OC)c1 ZINC000096219206 407251916 /nfs/dbraw/zinc/25/19/16/407251916.db2.gz GWKILJGUVRNBQO-WMLDXEAASA-N 2 2 306.406 1.466 40 0 DDABLP COc1cc(C[N@H+]2C[C@@H]3C[NH+](C)CCO[C@@H]3C2)cc(OC)c1 ZINC000096219206 407251917 /nfs/dbraw/zinc/25/19/17/407251917.db2.gz GWKILJGUVRNBQO-WMLDXEAASA-N 2 2 306.406 1.466 40 0 DDABLP COc1cc(C[NH+]2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)cc(OC)c1 ZINC000096219206 407251919 /nfs/dbraw/zinc/25/19/19/407251919.db2.gz GWKILJGUVRNBQO-WMLDXEAASA-N 2 2 306.406 1.466 40 0 DDABLP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](C)CCO[C@@H]3C2)cc(OC)c1 ZINC000096219206 407251921 /nfs/dbraw/zinc/25/19/21/407251921.db2.gz GWKILJGUVRNBQO-WMLDXEAASA-N 2 2 306.406 1.466 40 0 DDABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(c2ncccn2)C1 ZINC000096188313 407245548 /nfs/dbraw/zinc/24/55/48/407245548.db2.gz XNZWWKRIDBCTHW-AWEZNQCLSA-N 2 2 300.410 1.650 40 0 DDABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(c2ncccn2)C1 ZINC000096188313 407245549 /nfs/dbraw/zinc/24/55/49/407245549.db2.gz XNZWWKRIDBCTHW-AWEZNQCLSA-N 2 2 300.410 1.650 40 0 DDABLP Cc1cnc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257233716 407510475 /nfs/dbraw/zinc/51/04/75/407510475.db2.gz GQJZRSNTQFAFDU-MRXNPFEDSA-N 2 2 313.405 1.596 40 0 DDABLP Cc1cnc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257233716 407510476 /nfs/dbraw/zinc/51/04/76/407510476.db2.gz GQJZRSNTQFAFDU-MRXNPFEDSA-N 2 2 313.405 1.596 40 0 DDABLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000228939697 563914731 /nfs/dbraw/zinc/91/47/31/563914731.db2.gz LLSNFRSPGSLTOB-VXGBXAGGSA-N 2 2 316.409 1.364 40 0 DDABLP C[NH+](C)CCOCc1nnn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096058821 282109163 /nfs/dbraw/zinc/10/91/63/282109163.db2.gz NVFHPQWNYRKWRQ-UHFFFAOYSA-N 2 2 319.409 1.355 40 0 DDABLP C[NH+](C)CCOCc1nnn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096058821 282109164 /nfs/dbraw/zinc/10/91/64/282109164.db2.gz NVFHPQWNYRKWRQ-UHFFFAOYSA-N 2 2 319.409 1.355 40 0 DDABLP CC(C)[N@@H+]1CCN2[C@H](C[NH+](Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253407362 186308571 /nfs/dbraw/zinc/30/85/71/186308571.db2.gz WBOLDGONTWSASC-MOPGFXCFSA-N 2 2 317.477 1.648 40 0 biogenic,in-vitro DDABLP CC(C)[N@H+]1CCN2[C@H](C[NH+](Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253407362 186308573 /nfs/dbraw/zinc/30/85/73/186308573.db2.gz WBOLDGONTWSASC-MOPGFXCFSA-N 2 2 317.477 1.648 40 0 biogenic,in-vitro DDABLP CC(C)[NH+]1CCN2[C@@H](C1)C[N@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253407362 186308575 /nfs/dbraw/zinc/30/85/75/186308575.db2.gz WBOLDGONTWSASC-MOPGFXCFSA-N 2 2 317.477 1.648 40 0 biogenic,in-vitro DDABLP CC(C)[NH+]1CCN2[C@@H](C1)C[N@@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253407362 186308577 /nfs/dbraw/zinc/30/85/77/186308577.db2.gz WBOLDGONTWSASC-MOPGFXCFSA-N 2 2 317.477 1.648 40 0 biogenic,in-vitro DDABLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585292054 354826394 /nfs/dbraw/zinc/82/63/94/354826394.db2.gz WMQXOKASTCWTNX-JTWJQQFASA-N 2 2 318.421 1.259 40 0 DDABLP Cc1[nH+]c[nH]c1CN1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257273678 203001274 /nfs/dbraw/zinc/00/12/74/203001274.db2.gz NHQXJJBNFVRNJW-OAHLLOKOSA-N 2 2 300.410 1.907 40 0 DDABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000019288247 182112668 /nfs/dbraw/zinc/11/26/68/182112668.db2.gz STCCYYATNAXGEG-UHFFFAOYSA-N 2 2 309.373 1.866 40 0 DDABLP Cc1ccc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)o1 ZINC000096196984 407247321 /nfs/dbraw/zinc/24/73/21/407247321.db2.gz AYHUGAADKVDTSY-UHFFFAOYSA-N 2 2 312.377 1.483 40 0 DDABLP Cc1ccc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)o1 ZINC000096196984 407247324 /nfs/dbraw/zinc/24/73/24/407247324.db2.gz AYHUGAADKVDTSY-UHFFFAOYSA-N 2 2 312.377 1.483 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096201979 407248753 /nfs/dbraw/zinc/24/87/53/407248753.db2.gz MSTNWRWLENVGAX-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096201979 407248755 /nfs/dbraw/zinc/24/87/55/407248755.db2.gz MSTNWRWLENVGAX-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096201979 407248757 /nfs/dbraw/zinc/24/87/57/407248757.db2.gz MSTNWRWLENVGAX-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096201979 407248759 /nfs/dbraw/zinc/24/87/59/407248759.db2.gz MSTNWRWLENVGAX-QGZVFWFLSA-N 2 2 305.422 1.252 40 0 DDABLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1c1ccccc1 ZINC000262205259 407766338 /nfs/dbraw/zinc/76/63/38/407766338.db2.gz KYRGDVUTAZURIL-HZSPNIEDSA-N 2 2 309.360 1.185 40 0 DDABLP C[NH+](C)CCNc1nc(NCc2cccs2)cc(C2CC2)[nH+]1 ZINC000328983630 410038160 /nfs/dbraw/zinc/03/81/60/410038160.db2.gz HHPHOOWXHHHCDR-UHFFFAOYSA-N 2 2 317.462 1.845 40 0 DDABLP CN(C)c1cc(CC[C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc[nH+]1 ZINC000257284413 203012548 /nfs/dbraw/zinc/01/25/48/203012548.db2.gz PCPKVKVKDXJQGS-HNNXBMFYSA-N 2 2 315.421 1.704 40 0 DDABLP Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H](C[NH+](C)C)C2)no1 ZINC000096188254 407245631 /nfs/dbraw/zinc/24/56/31/407245631.db2.gz PXPDNFNHTLPZNX-LBPRGKRZSA-N 2 2 303.366 1.013 40 0 DDABLP C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC000107203460 407370968 /nfs/dbraw/zinc/37/09/68/407370968.db2.gz SIFFBJDSUQGYJC-SQNIBIBYSA-N 2 2 311.433 1.873 40 0 DDABLP C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC000107203460 407370969 /nfs/dbraw/zinc/37/09/69/407370969.db2.gz SIFFBJDSUQGYJC-SQNIBIBYSA-N 2 2 311.433 1.873 40 0 DDABLP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000107203460 407370971 /nfs/dbraw/zinc/37/09/71/407370971.db2.gz SIFFBJDSUQGYJC-SQNIBIBYSA-N 2 2 311.433 1.873 40 0 DDABLP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000107203460 407370973 /nfs/dbraw/zinc/37/09/73/407370973.db2.gz SIFFBJDSUQGYJC-SQNIBIBYSA-N 2 2 311.433 1.873 40 0 DDABLP CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257233717 407510196 /nfs/dbraw/zinc/51/01/96/407510196.db2.gz GQKJMQNWZYUWKM-KRWDZBQOSA-N 2 2 317.437 1.344 40 0 DDABLP CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257233717 407510199 /nfs/dbraw/zinc/51/01/99/407510199.db2.gz GQKJMQNWZYUWKM-KRWDZBQOSA-N 2 2 317.437 1.344 40 0 DDABLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000257312519 203035996 /nfs/dbraw/zinc/03/59/96/203035996.db2.gz UOIPSCZBQRNIRR-HNNXBMFYSA-N 2 2 300.362 1.134 40 0 DDABLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000257312520 203037076 /nfs/dbraw/zinc/03/70/76/203037076.db2.gz UOIPSCZBQRNIRR-OAHLLOKOSA-N 2 2 300.362 1.134 40 0 DDABLP Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCC[N@H+](CCO)C2)n1C ZINC000257338375 203061263 /nfs/dbraw/zinc/06/12/63/203061263.db2.gz YXCCOPCCVJKIOF-AWEZNQCLSA-N 2 2 315.421 1.432 40 0 DDABLP Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCC[N@@H+](CCO)C2)n1C ZINC000257338375 203061266 /nfs/dbraw/zinc/06/12/66/203061266.db2.gz YXCCOPCCVJKIOF-AWEZNQCLSA-N 2 2 315.421 1.432 40 0 DDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096059186 407231979 /nfs/dbraw/zinc/23/19/79/407231979.db2.gz RXRDMKKZJJITEZ-LBPRGKRZSA-N 2 2 304.419 1.778 40 0 DDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237879 /nfs/dbraw/zinc/23/78/79/407237879.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237880 /nfs/dbraw/zinc/23/78/80/407237880.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237883 /nfs/dbraw/zinc/23/78/83/407237883.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237884 /nfs/dbraw/zinc/23/78/84/407237884.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 2 2 310.463 1.836 40 0 DDABLP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158845 407241336 /nfs/dbraw/zinc/24/13/36/407241336.db2.gz QNDRTGCFNHFSMP-UHFFFAOYSA-N 2 2 305.422 1.395 40 0 DDABLP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158845 407241338 /nfs/dbraw/zinc/24/13/38/407241338.db2.gz QNDRTGCFNHFSMP-UHFFFAOYSA-N 2 2 305.422 1.395 40 0 DDABLP c1coc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202030 407250072 /nfs/dbraw/zinc/25/00/72/407250072.db2.gz IQVYHAYNHUVKHP-SFHVURJKSA-N 2 2 320.433 1.983 40 0 DDABLP c1coc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202030 407250074 /nfs/dbraw/zinc/25/00/74/407250074.db2.gz IQVYHAYNHUVKHP-SFHVURJKSA-N 2 2 320.433 1.983 40 0 DDABLP c1coc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202030 407250076 /nfs/dbraw/zinc/25/00/76/407250076.db2.gz IQVYHAYNHUVKHP-SFHVURJKSA-N 2 2 320.433 1.983 40 0 DDABLP c1coc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202030 407250079 /nfs/dbraw/zinc/25/00/79/407250079.db2.gz IQVYHAYNHUVKHP-SFHVURJKSA-N 2 2 320.433 1.983 40 0 DDABLP CC[N@H+](Cc1cccnc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257235165 407509687 /nfs/dbraw/zinc/50/96/87/407509687.db2.gz GWSHINGKKWXNIK-MRXNPFEDSA-N 2 2 314.393 1.252 40 0 DDABLP CC[N@@H+](Cc1cccnc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257235165 407509693 /nfs/dbraw/zinc/50/96/93/407509693.db2.gz GWSHINGKKWXNIK-MRXNPFEDSA-N 2 2 314.393 1.252 40 0 DDABLP CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]cn2C)nc1 ZINC000257240508 407514157 /nfs/dbraw/zinc/51/41/57/407514157.db2.gz HTUQOKDGKOZLNX-KRWDZBQOSA-N 2 2 313.405 1.788 40 0 DDABLP CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)nc1 ZINC000257240508 407514158 /nfs/dbraw/zinc/51/41/58/407514158.db2.gz HTUQOKDGKOZLNX-KRWDZBQOSA-N 2 2 313.405 1.788 40 0 DDABLP c1ccc(C[NH+]2CC3(C2)CC[C@H](C[NH+]2CCOCC2)CO3)nc1 ZINC000253595518 407461757 /nfs/dbraw/zinc/46/17/57/407461757.db2.gz FMIZHIXGAXVEEN-MRXNPFEDSA-N 2 2 317.433 1.395 40 0 DDABLP COc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C[NH+](C)C)C2)c1 ZINC000248138382 408537526 /nfs/dbraw/zinc/53/75/26/408537526.db2.gz SLRPQCVBMPYKGQ-OAHLLOKOSA-N 2 2 314.389 1.650 40 0 DDABLP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000096051929 289218682 /nfs/dbraw/zinc/21/86/82/289218682.db2.gz IVOINTDQENNFQE-ZFWWWQNUSA-N 2 2 311.451 1.312 40 0 DDABLP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000096051929 289218686 /nfs/dbraw/zinc/21/86/86/289218686.db2.gz IVOINTDQENNFQE-ZFWWWQNUSA-N 2 2 311.451 1.312 40 0 DDABLP CCN1CC[N@H+](C)C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096050043 407227853 /nfs/dbraw/zinc/22/78/53/407227853.db2.gz JFRZQZTVRUPGFW-UHFFFAOYSA-N 2 2 319.424 1.954 40 0 DDABLP CCN1CC[N@@H+](C)C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096050043 407227856 /nfs/dbraw/zinc/22/78/56/407227856.db2.gz JFRZQZTVRUPGFW-UHFFFAOYSA-N 2 2 319.424 1.954 40 0 DDABLP Cc1cccc(C[N@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)n1 ZINC000096196943 407248027 /nfs/dbraw/zinc/24/80/27/407248027.db2.gz LWNIGBVHZWQFFU-UHFFFAOYSA-N 2 2 322.416 1.890 40 0 DDABLP Cc1cccc(C[N@@H+]2CCc3[nH+]cc(Cn4cccn4)n3CC2)n1 ZINC000096196943 407248030 /nfs/dbraw/zinc/24/80/30/407248030.db2.gz LWNIGBVHZWQFFU-UHFFFAOYSA-N 2 2 322.416 1.890 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257219802 407499364 /nfs/dbraw/zinc/49/93/64/407499364.db2.gz DIFUNKNSNRLVLI-AWEZNQCLSA-N 2 2 305.426 1.072 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257219802 407499371 /nfs/dbraw/zinc/49/93/71/407499371.db2.gz DIFUNKNSNRLVLI-AWEZNQCLSA-N 2 2 305.426 1.072 40 0 DDABLP COc1ccccc1[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000257239412 407515305 /nfs/dbraw/zinc/51/53/05/407515305.db2.gz HPDLWKOKVZKEGT-OAHLLOKOSA-N 2 2 314.389 1.407 40 0 DDABLP COc1ccccc1[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000257239412 407515307 /nfs/dbraw/zinc/51/53/07/407515307.db2.gz HPDLWKOKVZKEGT-OAHLLOKOSA-N 2 2 314.389 1.407 40 0 DDABLP Cn1cc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257256820 407522634 /nfs/dbraw/zinc/52/26/34/407522634.db2.gz KNAPLDCTYRYKFZ-OAHLLOKOSA-N 2 2 301.394 1.231 40 0 DDABLP Cn1cc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257256820 407522641 /nfs/dbraw/zinc/52/26/41/407522641.db2.gz KNAPLDCTYRYKFZ-OAHLLOKOSA-N 2 2 301.394 1.231 40 0 DDABLP O=C(NCCCn1cc[nH+]c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030944875 406936299 /nfs/dbraw/zinc/93/62/99/406936299.db2.gz APJZTDYDRQTZOX-UHFFFAOYSA-N 2 2 309.373 1.948 40 0 DDABLP c1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CCOC4)CC3)C2)nc1 ZINC000096158848 407241257 /nfs/dbraw/zinc/24/12/57/407241257.db2.gz YVKUVGOSQNHZPZ-KRWDZBQOSA-N 2 2 317.433 1.537 40 0 DDABLP c1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCOC4)CC3)C2)nc1 ZINC000096158848 407241259 /nfs/dbraw/zinc/24/12/59/407241259.db2.gz YVKUVGOSQNHZPZ-KRWDZBQOSA-N 2 2 317.433 1.537 40 0 DDABLP C[NH+]1CCC(C)(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)CC1 ZINC000257224811 407503395 /nfs/dbraw/zinc/50/33/95/407503395.db2.gz FDLQJOWXCSYGAM-RBSFLKMASA-N 2 2 320.437 1.186 40 0 DDABLP c1cn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3CC2CCOCC2)c[nH+]1 ZINC000253476829 407450687 /nfs/dbraw/zinc/45/06/87/407450687.db2.gz BOPKJIKXOJLDEX-ULQDDVLXSA-N 2 2 305.422 1.789 40 0 DDABLP C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1cc[nH+]c1)C2 ZINC000257243501 407512507 /nfs/dbraw/zinc/51/25/07/407512507.db2.gz IHHQBTMAQXJDBO-MPTYRVRUSA-N 2 2 302.422 1.747 40 0 DDABLP C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1cc[nH+]c1)C2 ZINC000257243501 407512513 /nfs/dbraw/zinc/51/25/13/407512513.db2.gz IHHQBTMAQXJDBO-MPTYRVRUSA-N 2 2 302.422 1.747 40 0 DDABLP CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC000257234742 278039727 /nfs/dbraw/zinc/03/97/27/278039727.db2.gz GUXFEVCBWQCVNG-SFHVURJKSA-N 2 2 301.434 1.986 40 0 DDABLP CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)C[C@H]1c1ccccc1 ZINC000257234742 278039729 /nfs/dbraw/zinc/03/97/29/278039729.db2.gz GUXFEVCBWQCVNG-SFHVURJKSA-N 2 2 301.434 1.986 40 0 DDABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@@H+](C1CCOCC1)C2 ZINC000585111936 354810077 /nfs/dbraw/zinc/81/00/77/354810077.db2.gz DWTOMXRXJVGAAK-KRWDZBQOSA-N 2 2 304.438 1.905 40 0 DDABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@H+](C1CCOCC1)C2 ZINC000585111936 354810081 /nfs/dbraw/zinc/81/00/81/354810081.db2.gz DWTOMXRXJVGAAK-KRWDZBQOSA-N 2 2 304.438 1.905 40 0 DDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249600 407256277 /nfs/dbraw/zinc/25/62/77/407256277.db2.gz ATALYBPDXPDUGZ-ZIAGYGMSSA-N 2 2 311.451 1.312 40 0 DDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249600 407256280 /nfs/dbraw/zinc/25/62/80/407256280.db2.gz ATALYBPDXPDUGZ-ZIAGYGMSSA-N 2 2 311.451 1.312 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249600 407256283 /nfs/dbraw/zinc/25/62/83/407256283.db2.gz ATALYBPDXPDUGZ-ZIAGYGMSSA-N 2 2 311.451 1.312 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249600 407256285 /nfs/dbraw/zinc/25/62/85/407256285.db2.gz ATALYBPDXPDUGZ-ZIAGYGMSSA-N 2 2 311.451 1.312 40 0 DDABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](CC4CCOCC4)C[C@H]23)[nH+]c1 ZINC000306141563 231091588 /nfs/dbraw/zinc/09/15/88/231091588.db2.gz WAOWGEWUVMMTRU-GVDBMIGSSA-N 2 2 317.433 1.867 40 0 DDABLP c1ccc(NC[C@H]2CO[C@@H]3C[N@@H+](CC4CCOCC4)C[C@H]23)[nH+]c1 ZINC000306141563 231091590 /nfs/dbraw/zinc/09/15/90/231091590.db2.gz WAOWGEWUVMMTRU-GVDBMIGSSA-N 2 2 317.433 1.867 40 0 DDABLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256050279 407478958 /nfs/dbraw/zinc/47/89/58/407478958.db2.gz DLVHXJXNHFFEDU-UHFFFAOYSA-N 2 2 306.332 1.251 40 0 DDABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257268020 407529964 /nfs/dbraw/zinc/52/99/64/407529964.db2.gz MJXFWOFESNKAII-CYBMUJFWSA-N 2 2 301.394 1.883 40 0 DDABLP CC(C)Nc1cc(-c2cccnc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328979963 410033900 /nfs/dbraw/zinc/03/39/00/410033900.db2.gz GJGMJVIDRWZDNV-UHFFFAOYSA-N 2 2 314.437 1.566 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257315503 203041077 /nfs/dbraw/zinc/04/10/77/203041077.db2.gz VBSCDWGVWPXZDJ-HNNXBMFYSA-N 2 2 300.410 1.907 40 0 DDABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257315503 203041081 /nfs/dbraw/zinc/04/10/81/203041081.db2.gz VBSCDWGVWPXZDJ-HNNXBMFYSA-N 2 2 300.410 1.907 40 0 DDABLP COc1ncccc1C[N@H+]1CCc2ncc(C[NH+](C)C)n2CC1 ZINC000096196788 407246693 /nfs/dbraw/zinc/24/66/93/407246693.db2.gz DTRCMBJRZXRTKD-UHFFFAOYSA-N 2 2 315.421 1.407 40 0 DDABLP COc1ncccc1C[N@@H+]1CCc2ncc(C[NH+](C)C)n2CC1 ZINC000096196788 407246694 /nfs/dbraw/zinc/24/66/94/407246694.db2.gz DTRCMBJRZXRTKD-UHFFFAOYSA-N 2 2 315.421 1.407 40 0 DDABLP C[NH+](C)CCN1CCO[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249586 407255984 /nfs/dbraw/zinc/25/59/84/407255984.db2.gz LAPPKJSWEWCABS-HUUCEWRRSA-N 2 2 324.494 1.227 40 0 DDABLP C[NH+](C)CCN1CCO[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249586 407255985 /nfs/dbraw/zinc/25/59/85/407255985.db2.gz LAPPKJSWEWCABS-HUUCEWRRSA-N 2 2 324.494 1.227 40 0 DDABLP Cc1noc(C)c1C[N@H+]1CCc2ncc(C[NH+](C)C)n2CC1 ZINC000096196781 407246998 /nfs/dbraw/zinc/24/69/98/407246998.db2.gz VKSIFPKFGXOKNK-UHFFFAOYSA-N 2 2 303.410 1.608 40 0 DDABLP Cc1noc(C)c1C[N@@H+]1CCc2ncc(C[NH+](C)C)n2CC1 ZINC000096196781 407247000 /nfs/dbraw/zinc/24/70/00/407247000.db2.gz VKSIFPKFGXOKNK-UHFFFAOYSA-N 2 2 303.410 1.608 40 0 DDABLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1cc[nH+]c1C ZINC000257299395 203023648 /nfs/dbraw/zinc/02/36/48/203023648.db2.gz RPXFBQHCBCYUGK-OAHLLOKOSA-N 2 2 314.389 1.373 40 0 DDABLP CC[N@@H+]1CCN(C)C(=O)C12CCN(c1cccc(C)[nH+]1)CC2 ZINC000096077198 407235413 /nfs/dbraw/zinc/23/54/13/407235413.db2.gz MUWINHUJOJMWDZ-UHFFFAOYSA-N 2 2 302.422 1.523 40 0 DDABLP CC[N@H+]1CCN(C)C(=O)C12CCN(c1cccc(C)[nH+]1)CC2 ZINC000096077198 407235416 /nfs/dbraw/zinc/23/54/16/407235416.db2.gz MUWINHUJOJMWDZ-UHFFFAOYSA-N 2 2 302.422 1.523 40 0 DDABLP CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](C1CC[NH+](C)CC1)C2 ZINC000096111915 407238886 /nfs/dbraw/zinc/23/88/86/407238886.db2.gz ZLFHPSPTXVKYCS-HOCLYGCPSA-N 2 2 315.417 1.579 40 0 biogenic,in-vitro DDABLP CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](C1CC[NH+](C)CC1)C2 ZINC000096111915 407238889 /nfs/dbraw/zinc/23/88/89/407238889.db2.gz ZLFHPSPTXVKYCS-HOCLYGCPSA-N 2 2 315.417 1.579 40 0 biogenic,in-vitro DDABLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000096185605 407244244 /nfs/dbraw/zinc/24/42/44/407244244.db2.gz BNIGJIMWWDWBLI-PMPSAXMXSA-N 2 2 317.462 1.934 40 0 DDABLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000096185605 407244246 /nfs/dbraw/zinc/24/42/46/407244246.db2.gz BNIGJIMWWDWBLI-PMPSAXMXSA-N 2 2 317.462 1.934 40 0 DDABLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096185605 407244247 /nfs/dbraw/zinc/24/42/47/407244247.db2.gz BNIGJIMWWDWBLI-PMPSAXMXSA-N 2 2 317.462 1.934 40 0 DDABLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096185605 407244248 /nfs/dbraw/zinc/24/42/48/407244248.db2.gz BNIGJIMWWDWBLI-PMPSAXMXSA-N 2 2 317.462 1.934 40 0 DDABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@H+](CCO)C3)n2)n1C ZINC000257338152 203059512 /nfs/dbraw/zinc/05/95/12/203059512.db2.gz YWCQQRNVYZURFH-ZDUSSCGKSA-N 2 2 301.394 1.357 40 0 DDABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@@H+](CCO)C3)n2)n1C ZINC000257338152 203059517 /nfs/dbraw/zinc/05/95/17/203059517.db2.gz YWCQQRNVYZURFH-ZDUSSCGKSA-N 2 2 301.394 1.357 40 0 DDABLP COc1c2c(c([C@](C)([NH3+])C(F)F)c3c1C[N@H+](C)CC3)OCO2 ZINC000252481621 257106130 /nfs/dbraw/zinc/10/61/30/257106130.db2.gz CPNHRZOXUMBUNK-HNNXBMFYSA-N 2 2 314.332 1.851 40 0 DDABLP COc1c2c(c([C@](C)([NH3+])C(F)F)c3c1C[N@@H+](C)CC3)OCO2 ZINC000252481621 257106133 /nfs/dbraw/zinc/10/61/33/257106133.db2.gz CPNHRZOXUMBUNK-HNNXBMFYSA-N 2 2 314.332 1.851 40 0 DDABLP COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@@H]([NH+]3CCCC3)[C@@H]2C1 ZINC000096186820 407245741 /nfs/dbraw/zinc/24/57/41/407245741.db2.gz QMMSEBAIFBRBCG-BRWVUGGUSA-N 2 2 317.433 1.633 40 0 DDABLP COc1ncccc1C[N@H+]1C[C@@H]2COC[C@@H]([NH+]3CCCC3)[C@@H]2C1 ZINC000096186820 407245743 /nfs/dbraw/zinc/24/57/43/407245743.db2.gz QMMSEBAIFBRBCG-BRWVUGGUSA-N 2 2 317.433 1.633 40 0 DDABLP CC[NH+]1CCC([N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257200492 407490204 /nfs/dbraw/zinc/49/02/04/407490204.db2.gz ADOFGBRKTVZYMS-IAGOWNOFSA-N 2 2 308.397 1.734 40 0 DDABLP CC[NH+]1CCC([N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257200492 407490213 /nfs/dbraw/zinc/49/02/13/407490213.db2.gz ADOFGBRKTVZYMS-IAGOWNOFSA-N 2 2 308.397 1.734 40 0 DDABLP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][nH]1 ZINC000257293757 203020070 /nfs/dbraw/zinc/02/00/70/203020070.db2.gz QRBMSVCURIHPNZ-ZBFHGGJFSA-N 2 2 300.406 1.897 40 0 DDABLP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][nH]1 ZINC000257293757 203020071 /nfs/dbraw/zinc/02/00/71/203020071.db2.gz QRBMSVCURIHPNZ-ZBFHGGJFSA-N 2 2 300.406 1.897 40 0 DDABLP C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257326001 203049424 /nfs/dbraw/zinc/04/94/24/203049424.db2.gz WVJABJKSFSMAFC-OAHLLOKOSA-N 2 2 314.393 1.098 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccsc1)CCC2 ZINC000096059562 407231565 /nfs/dbraw/zinc/23/15/65/407231565.db2.gz AWLGLJISWGZRSQ-UHFFFAOYSA-N 2 2 318.446 1.772 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccsc1)CCC2 ZINC000096059562 407231568 /nfs/dbraw/zinc/23/15/68/407231568.db2.gz AWLGLJISWGZRSQ-UHFFFAOYSA-N 2 2 318.446 1.772 40 0 DDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096066897 407233814 /nfs/dbraw/zinc/23/38/14/407233814.db2.gz ZQEZOEWBAUZMJY-ZDUSSCGKSA-N 2 2 318.446 1.707 40 0 DDABLP CN(C)c1cc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000072369432 191140045 /nfs/dbraw/zinc/14/00/45/191140045.db2.gz IKBNHJAROXDXRM-MRXNPFEDSA-N 2 2 316.449 1.949 40 0 DDABLP CN(C)c1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)cc[nH+]1 ZINC000072369432 191140047 /nfs/dbraw/zinc/14/00/47/191140047.db2.gz IKBNHJAROXDXRM-MRXNPFEDSA-N 2 2 316.449 1.949 40 0 DDABLP Cc1cccc(C[N@H+]2CCc3nnc(C[NH+](C)C)n3CC2)n1 ZINC000096259864 407257760 /nfs/dbraw/zinc/25/77/60/407257760.db2.gz CXDUUMMPDGFDKZ-UHFFFAOYSA-N 2 2 300.410 1.101 40 0 DDABLP Cc1cccc(C[N@@H+]2CCc3nnc(C[NH+](C)C)n3CC2)n1 ZINC000096259864 407257761 /nfs/dbraw/zinc/25/77/61/407257761.db2.gz CXDUUMMPDGFDKZ-UHFFFAOYSA-N 2 2 300.410 1.101 40 0 DDABLP Cc1cnc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257233715 407509283 /nfs/dbraw/zinc/50/92/83/407509283.db2.gz GQJZRSNTQFAFDU-INIZCTEOSA-N 2 2 313.405 1.596 40 0 DDABLP Cc1cnc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)cn1 ZINC000257233715 407509289 /nfs/dbraw/zinc/50/92/89/407509289.db2.gz GQJZRSNTQFAFDU-INIZCTEOSA-N 2 2 313.405 1.596 40 0 DDABLP CC[N@H+](Cc1cscn1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257207034 407493783 /nfs/dbraw/zinc/49/37/83/407493783.db2.gz BGBLCKPSLGJYAP-CQSZACIVSA-N 2 2 320.422 1.313 40 0 DDABLP CC[N@@H+](Cc1cscn1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257207034 407493786 /nfs/dbraw/zinc/49/37/86/407493786.db2.gz BGBLCKPSLGJYAP-CQSZACIVSA-N 2 2 320.422 1.313 40 0 DDABLP O=C(C1CC[NH2+]CC1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257220189 407499648 /nfs/dbraw/zinc/49/96/48/407499648.db2.gz DJXYSAPRFXIECD-INIZCTEOSA-N 2 2 310.401 1.966 40 0 DDABLP CN(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224373 /nfs/dbraw/zinc/22/43/73/407224373.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 2 2 305.397 1.278 40 0 DDABLP CN(C)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224375 /nfs/dbraw/zinc/22/43/75/407224375.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 2 2 305.397 1.278 40 0 DDABLP CN(C)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224377 /nfs/dbraw/zinc/22/43/77/407224377.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 2 2 305.397 1.278 40 0 DDABLP CN(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224379 /nfs/dbraw/zinc/22/43/79/407224379.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 2 2 305.397 1.278 40 0 DDABLP c1csc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+]3CCOCC3)C2)n1 ZINC000096083115 407235931 /nfs/dbraw/zinc/23/59/31/407235931.db2.gz ASGRXFJNIKPEGK-KFWWJZLASA-N 2 2 323.462 1.312 40 0 DDABLP c1csc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3C[NH+]3CCOCC3)C2)n1 ZINC000096083115 407235933 /nfs/dbraw/zinc/23/59/33/407235933.db2.gz ASGRXFJNIKPEGK-KFWWJZLASA-N 2 2 323.462 1.312 40 0 DDABLP C[NH+](C)CCOCc1nnn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096058819 282109258 /nfs/dbraw/zinc/10/92/58/282109258.db2.gz LAZXZNFPLAJPIM-UHFFFAOYSA-N 2 2 319.409 1.355 40 0 DDABLP C[NH+](C)CCOCc1nnn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096058819 282109259 /nfs/dbraw/zinc/10/92/59/282109259.db2.gz LAZXZNFPLAJPIM-UHFFFAOYSA-N 2 2 319.409 1.355 40 0 DDABLP CCc1[nH]c(C[N@@H+]2CCC[C@]2(COC)CC(=O)NC)c(C)[nH+]1 ZINC000585278399 354822387 /nfs/dbraw/zinc/82/23/87/354822387.db2.gz SLWXQKUKBXRNJF-MRXNPFEDSA-N 2 2 308.426 1.398 40 0 DDABLP CCc1[nH]c(C[N@H+]2CCC[C@]2(COC)CC(=O)NC)c(C)[nH+]1 ZINC000585278399 354822390 /nfs/dbraw/zinc/82/23/90/354822390.db2.gz SLWXQKUKBXRNJF-MRXNPFEDSA-N 2 2 308.426 1.398 40 0 DDABLP O=c1[nH]c2cc3c(cc2cc1C[NH2+]CC[NH+]1CCCC1)OCO3 ZINC000023247891 182354382 /nfs/dbraw/zinc/35/43/82/182354382.db2.gz VHBPQGYUNJQDCE-UHFFFAOYSA-N 2 2 315.373 1.442 40 0 DDABLP c1coc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC000096259887 407258421 /nfs/dbraw/zinc/25/84/21/407258421.db2.gz VACQSXFQJUOZNS-UHFFFAOYSA-N 2 2 315.421 1.915 40 0 DDABLP c1coc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c1 ZINC000096259887 407258424 /nfs/dbraw/zinc/25/84/24/407258424.db2.gz VACQSXFQJUOZNS-UHFFFAOYSA-N 2 2 315.421 1.915 40 0 DDABLP C[C@H]1CN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000228939720 563914607 /nfs/dbraw/zinc/91/46/07/563914607.db2.gz LLSNFRSPGSLTOB-RYUDHWBXSA-N 2 2 316.409 1.364 40 0 DDABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072355715 191129888 /nfs/dbraw/zinc/12/98/88/191129888.db2.gz CSWMKTPDABNCND-ZDUSSCGKSA-N 2 2 313.405 1.494 40 0 DDABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072355715 191129891 /nfs/dbraw/zinc/12/98/91/191129891.db2.gz CSWMKTPDABNCND-ZDUSSCGKSA-N 2 2 313.405 1.494 40 0 DDABLP CNc1cc([C@@H]2CCCN2C(=O)CC[NH+]2CCOCC2)cc[nH+]1 ZINC000257334436 203056558 /nfs/dbraw/zinc/05/65/58/203056558.db2.gz YFWCVJBHKAUWMA-HNNXBMFYSA-N 2 2 318.421 1.509 40 0 DDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107979 407237521 /nfs/dbraw/zinc/23/75/21/407237521.db2.gz RZIWOBNTOHIAOJ-DOTOQJQBSA-N 2 2 308.397 1.605 40 0 DDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107979 407237522 /nfs/dbraw/zinc/23/75/22/407237522.db2.gz RZIWOBNTOHIAOJ-DOTOQJQBSA-N 2 2 308.397 1.605 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107979 407237524 /nfs/dbraw/zinc/23/75/24/407237524.db2.gz RZIWOBNTOHIAOJ-DOTOQJQBSA-N 2 2 308.397 1.605 40 0 DDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096107979 407237525 /nfs/dbraw/zinc/23/75/25/407237525.db2.gz RZIWOBNTOHIAOJ-DOTOQJQBSA-N 2 2 308.397 1.605 40 0 DDABLP C[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201916 407248662 /nfs/dbraw/zinc/24/86/62/407248662.db2.gz BJZLSDIHKQPWDN-KRWDZBQOSA-N 2 2 304.390 1.569 40 0 DDABLP C[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201916 407248663 /nfs/dbraw/zinc/24/86/63/407248663.db2.gz BJZLSDIHKQPWDN-KRWDZBQOSA-N 2 2 304.390 1.569 40 0 DDABLP C[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201916 407248664 /nfs/dbraw/zinc/24/86/64/407248664.db2.gz BJZLSDIHKQPWDN-KRWDZBQOSA-N 2 2 304.390 1.569 40 0 DDABLP C[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096201916 407248665 /nfs/dbraw/zinc/24/86/65/407248665.db2.gz BJZLSDIHKQPWDN-KRWDZBQOSA-N 2 2 304.390 1.569 40 0 DDABLP c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)C[N@@H+](CC1CCOCC1)C2 ZINC000253478664 407450134 /nfs/dbraw/zinc/45/01/34/407450134.db2.gz MKENVJZGDBBBAZ-KRWDZBQOSA-N 2 2 318.465 1.837 40 0 DDABLP c1cc2n(n1)C[C@@H](C[NH+]1CCCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253478664 407450136 /nfs/dbraw/zinc/45/01/36/407450136.db2.gz MKENVJZGDBBBAZ-KRWDZBQOSA-N 2 2 318.465 1.837 40 0 DDABLP CN(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411501 185170093 /nfs/dbraw/zinc/17/00/93/185170093.db2.gz LPJBHNSZMSPYGH-MRXNPFEDSA-N 2 2 305.422 1.926 40 0 DDABLP CN(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411501 185170094 /nfs/dbraw/zinc/17/00/94/185170094.db2.gz LPJBHNSZMSPYGH-MRXNPFEDSA-N 2 2 305.422 1.926 40 0 DDABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1cccnc1)CC2 ZINC000096058956 407231802 /nfs/dbraw/zinc/23/18/02/407231802.db2.gz AFESEHYIJVTQOZ-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1cccnc1)CC2 ZINC000096058956 407231804 /nfs/dbraw/zinc/23/18/04/407231804.db2.gz AFESEHYIJVTQOZ-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1cccnc1)CC2 ZINC000096058956 407231806 /nfs/dbraw/zinc/23/18/06/407231806.db2.gz AFESEHYIJVTQOZ-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1cccnc1)CC2 ZINC000096058956 407231808 /nfs/dbraw/zinc/23/18/08/407231808.db2.gz AFESEHYIJVTQOZ-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP Cn1cc(C[N@@H+]2CCn3cc(C[NH+]4CCCCC4)nc3C2)cn1 ZINC000096059402 407231963 /nfs/dbraw/zinc/23/19/63/407231963.db2.gz LQRSVCZCOFMUOR-UHFFFAOYSA-N 2 2 314.437 1.618 40 0 DDABLP Cn1cc(C[N@H+]2CCn3cc(C[NH+]4CCCCC4)nc3C2)cn1 ZINC000096059402 407231965 /nfs/dbraw/zinc/23/19/65/407231965.db2.gz LQRSVCZCOFMUOR-UHFFFAOYSA-N 2 2 314.437 1.618 40 0 DDABLP Cc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)o1 ZINC000096059564 407232017 /nfs/dbraw/zinc/23/20/17/407232017.db2.gz CKGDKHOWDYDFNI-UHFFFAOYSA-N 2 2 316.405 1.612 40 0 DDABLP Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)o1 ZINC000096059564 407232020 /nfs/dbraw/zinc/23/20/20/407232020.db2.gz CKGDKHOWDYDFNI-UHFFFAOYSA-N 2 2 316.405 1.612 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@@H]2[C@H](CC1)OCC[N@@H+]2CC1CC1 ZINC000248103582 408534203 /nfs/dbraw/zinc/53/42/03/408534203.db2.gz FKIFHMHNOSPOFO-CVEARBPZSA-N 2 2 304.438 1.495 40 0 DDABLP Cn1cc[nH+]c1CN1CC[C@@H]2[C@H](CC1)OCC[N@H+]2CC1CC1 ZINC000248103582 408534206 /nfs/dbraw/zinc/53/42/06/408534206.db2.gz FKIFHMHNOSPOFO-CVEARBPZSA-N 2 2 304.438 1.495 40 0 DDABLP CS(=O)(=O)N1CCC[C@@H](c2cc(-n3cc[nH+]c3)cc[nH+]2)C1 ZINC000257288593 203015262 /nfs/dbraw/zinc/01/52/62/203015262.db2.gz PUWLNLDRCZFKKN-GFCCVEGCSA-N 2 2 306.391 1.406 40 0 DDABLP c1ccc(N2CCOC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)[nH+]c1 ZINC000096063130 285483215 /nfs/dbraw/zinc/48/32/15/285483215.db2.gz PFYYBVIYEFHOSZ-OAHLLOKOSA-N 2 2 303.406 1.542 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000096062308 407233393 /nfs/dbraw/zinc/23/33/93/407233393.db2.gz KVGVDOMBXFKKGP-GOSISDBHSA-N 2 2 322.424 1.996 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(F)cc1)C2 ZINC000096062308 407233396 /nfs/dbraw/zinc/23/33/96/407233396.db2.gz KVGVDOMBXFKKGP-GOSISDBHSA-N 2 2 322.424 1.996 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096062308 407233398 /nfs/dbraw/zinc/23/33/98/407233398.db2.gz KVGVDOMBXFKKGP-GOSISDBHSA-N 2 2 322.424 1.996 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096062308 407233400 /nfs/dbraw/zinc/23/34/00/407233400.db2.gz KVGVDOMBXFKKGP-GOSISDBHSA-N 2 2 322.424 1.996 40 0 DDABLP c1cc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)cs1 ZINC000096196982 407247991 /nfs/dbraw/zinc/24/79/91/407247991.db2.gz BXLUMLLPFUIASC-UHFFFAOYSA-N 2 2 314.418 1.643 40 0 DDABLP c1cc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)cs1 ZINC000096196982 407247992 /nfs/dbraw/zinc/24/79/92/407247992.db2.gz BXLUMLLPFUIASC-UHFFFAOYSA-N 2 2 314.418 1.643 40 0 DDABLP Cc1c(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cnn1C ZINC000257221891 407502582 /nfs/dbraw/zinc/50/25/82/407502582.db2.gz DQZGOSQBXTVVLN-INIZCTEOSA-N 2 2 314.437 1.917 40 0 DDABLP Cc1c(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cnn1C ZINC000257221891 407502585 /nfs/dbraw/zinc/50/25/85/407502585.db2.gz DQZGOSQBXTVVLN-INIZCTEOSA-N 2 2 314.437 1.917 40 0 DDABLP CCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368394 184147249 /nfs/dbraw/zinc/14/72/49/184147249.db2.gz RHBZCJUYFHCDHW-RBSFLKMASA-N 2 2 312.454 1.759 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000096048552 407227630 /nfs/dbraw/zinc/22/76/30/407227630.db2.gz GMTRBYDZPCYKBM-HOTGVXAUSA-N 2 2 301.394 1.613 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000096048552 407227631 /nfs/dbraw/zinc/22/76/31/407227631.db2.gz GMTRBYDZPCYKBM-HOTGVXAUSA-N 2 2 301.394 1.613 40 0 DDABLP c1coc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052054 407227816 /nfs/dbraw/zinc/22/78/16/407227816.db2.gz YRMDAMPUCRGRNC-NVXWUHKLSA-N 2 2 317.389 1.784 40 0 DDABLP c1coc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052054 407227818 /nfs/dbraw/zinc/22/78/18/407227818.db2.gz YRMDAMPUCRGRNC-NVXWUHKLSA-N 2 2 317.389 1.784 40 0 DDABLP c1coc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000096056246 407229182 /nfs/dbraw/zinc/22/91/82/407229182.db2.gz MBJZMUCSZJRUFO-BHYGNILZSA-N 2 2 306.406 1.449 40 0 DDABLP c1coc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000096056246 407229183 /nfs/dbraw/zinc/22/91/83/407229183.db2.gz MBJZMUCSZJRUFO-BHYGNILZSA-N 2 2 306.406 1.449 40 0 DDABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1ccccn1)CC2 ZINC000096058955 407231373 /nfs/dbraw/zinc/23/13/73/407231373.db2.gz KJDJKGRYQQFHNG-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1ccccn1)CC2 ZINC000096058955 407231374 /nfs/dbraw/zinc/23/13/74/407231374.db2.gz KJDJKGRYQQFHNG-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1ccccn1)CC2 ZINC000096058955 407231377 /nfs/dbraw/zinc/23/13/77/407231377.db2.gz KJDJKGRYQQFHNG-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1ccccn1)CC2 ZINC000096058955 407231378 /nfs/dbraw/zinc/23/13/78/407231378.db2.gz KJDJKGRYQQFHNG-UHFFFAOYSA-N 2 2 314.437 1.572 40 0 DDABLP Cn1cc(C[N@H+]2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cn1 ZINC000096207222 407249426 /nfs/dbraw/zinc/24/94/26/407249426.db2.gz LTWBNJRXKGXJNS-INIZCTEOSA-N 2 2 315.421 1.675 40 0 DDABLP Cn1cc(C[N@@H+]2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cn1 ZINC000096207222 407249428 /nfs/dbraw/zinc/24/94/28/407249428.db2.gz LTWBNJRXKGXJNS-INIZCTEOSA-N 2 2 315.421 1.675 40 0 DDABLP CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]cn2C)n1 ZINC000257274184 203002413 /nfs/dbraw/zinc/00/24/13/203002413.db2.gz NJWWXJZBLCOVQB-KRWDZBQOSA-N 2 2 313.405 1.788 40 0 DDABLP CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)n1 ZINC000257274184 203002415 /nfs/dbraw/zinc/00/24/15/203002415.db2.gz NJWWXJZBLCOVQB-KRWDZBQOSA-N 2 2 313.405 1.788 40 0 DDABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[N@H+](CCO)C3)n2)n1C ZINC000257338151 203061295 /nfs/dbraw/zinc/06/12/95/203061295.db2.gz YWCQQRNVYZURFH-CYBMUJFWSA-N 2 2 301.394 1.357 40 0 DDABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[N@@H+](CCO)C3)n2)n1C ZINC000257338151 203061299 /nfs/dbraw/zinc/06/12/99/203061299.db2.gz YWCQQRNVYZURFH-CYBMUJFWSA-N 2 2 301.394 1.357 40 0 DDABLP O[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000036739940 406983022 /nfs/dbraw/zinc/98/30/22/406983022.db2.gz GFAVXFMJJIJTRC-QZTJIDSGSA-N 2 2 315.392 1.946 40 0 DDABLP O[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH2+]Cc1cccnc1 ZINC000036739940 406983024 /nfs/dbraw/zinc/98/30/24/406983024.db2.gz GFAVXFMJJIJTRC-QZTJIDSGSA-N 2 2 315.392 1.946 40 0 DDABLP C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccn1 ZINC000096249926 407255399 /nfs/dbraw/zinc/25/53/99/407255399.db2.gz XPSJVVLFIAESIP-NJAFHUGGSA-N 2 2 319.449 1.639 40 0 DDABLP C[NH+](C)CCOC[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccn1 ZINC000096249926 407255401 /nfs/dbraw/zinc/25/54/01/407255401.db2.gz XPSJVVLFIAESIP-NJAFHUGGSA-N 2 2 319.449 1.639 40 0 DDABLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3ccc(F)cc3)COC2)no1 ZINC000067897798 407288810 /nfs/dbraw/zinc/28/88/10/407288810.db2.gz RYOZBDPOYMKESG-UHFFFAOYSA-N 2 2 319.380 1.977 40 0 biogenic,in-vitro DDABLP Cc1cccc(N2CCC[C@H](NC(=O)CCn3cc[nH+]c3)C2)[nH+]1 ZINC000257260744 407524255 /nfs/dbraw/zinc/52/42/55/407524255.db2.gz LEDOOUVBOSDYHK-HNNXBMFYSA-N 2 2 313.405 1.762 40 0 DDABLP NC(=O)C[N@@H+]1CCCC[C@H]2C[NH+](CC3(O)CCCCC3)CC[C@H]21 ZINC000585283979 354823480 /nfs/dbraw/zinc/82/34/80/354823480.db2.gz PZVFXFWHSUNVRD-JKSUJKDBSA-N 2 2 323.481 1.343 40 0 DDABLP NC(=O)C[N@H+]1CCCC[C@H]2C[NH+](CC3(O)CCCCC3)CC[C@H]21 ZINC000585283979 354823484 /nfs/dbraw/zinc/82/34/84/354823484.db2.gz PZVFXFWHSUNVRD-JKSUJKDBSA-N 2 2 323.481 1.343 40 0 DDABLP NC(=O)C[NH+]1CCCC[C@H]2C[N@H+](CC3(O)CCCCC3)CC[C@H]21 ZINC000585283979 354823488 /nfs/dbraw/zinc/82/34/88/354823488.db2.gz PZVFXFWHSUNVRD-JKSUJKDBSA-N 2 2 323.481 1.343 40 0 DDABLP NC(=O)C[NH+]1CCCC[C@H]2C[N@@H+](CC3(O)CCCCC3)CC[C@H]21 ZINC000585283979 354823492 /nfs/dbraw/zinc/82/34/92/354823492.db2.gz PZVFXFWHSUNVRD-JKSUJKDBSA-N 2 2 323.481 1.343 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(C[NH+](C)C)n2)cn1 ZINC000257317753 203043944 /nfs/dbraw/zinc/04/39/44/203043944.db2.gz VKZANXFWRJTLBD-MRXNPFEDSA-N 2 2 300.410 1.609 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@@H]2c2cncc(C[NH+](C)C)n2)cn1 ZINC000257317753 203043947 /nfs/dbraw/zinc/04/39/47/203043947.db2.gz VKZANXFWRJTLBD-MRXNPFEDSA-N 2 2 300.410 1.609 40 0 DDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1 ZINC000012602385 747610507 /nfs/dbraw/zinc/61/05/07/747610507.db2.gz BCDNIZSGALHIFG-HRCADAONSA-N 2 2 308.470 1.500 40 0 biogenic,in-vitro DDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1 ZINC000012602385 747610511 /nfs/dbraw/zinc/61/05/11/747610511.db2.gz BCDNIZSGALHIFG-HRCADAONSA-N 2 2 308.470 1.500 40 0 biogenic,in-vitro DDABLP O=C(C1=CCCC1)N1Cc2c[nH+]cn2[C@@H](C[NH+]2CCCC2)C1 ZINC000306132032 231088001 /nfs/dbraw/zinc/08/80/01/231088001.db2.gz KVYKADSYWXSRSV-INIZCTEOSA-N 2 2 300.406 1.973 40 0 DDABLP CN(C)c1cc([C@@H]2CCC[N@H+](CC3(O)CCOCC3)C2)cc[nH+]1 ZINC000257279123 203007959 /nfs/dbraw/zinc/00/79/59/203007959.db2.gz OFCWCDVJHIDQOX-MRXNPFEDSA-N 2 2 319.449 1.869 40 0 DDABLP CN(C)c1cc([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)cc[nH+]1 ZINC000257279123 203007962 /nfs/dbraw/zinc/00/79/62/203007962.db2.gz OFCWCDVJHIDQOX-MRXNPFEDSA-N 2 2 319.449 1.869 40 0 DDABLP CN(C)c1cc(CC[C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc[nH+]1 ZINC000257284414 203012006 /nfs/dbraw/zinc/01/20/06/203012006.db2.gz PCPKVKVKDXJQGS-OAHLLOKOSA-N 2 2 315.421 1.704 40 0 DDABLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1CC1CC1 ZINC000096062032 407231848 /nfs/dbraw/zinc/23/18/48/407231848.db2.gz HIQYKCKTGIVVDU-CQSZACIVSA-N 2 2 303.454 1.417 40 0 DDABLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1CC1CC1 ZINC000096062032 407231850 /nfs/dbraw/zinc/23/18/50/407231850.db2.gz HIQYKCKTGIVVDU-CQSZACIVSA-N 2 2 303.454 1.417 40 0 DDABLP CCc1[nH]c(C[N@@H+]2C[C@@H](CC(=O)N(C)C)[C@@H](OC)C2)c(C)[nH+]1 ZINC000585275997 354820210 /nfs/dbraw/zinc/82/02/10/354820210.db2.gz CWIQCENWVNOJTJ-OCCSQVGLSA-N 2 2 308.426 1.206 40 0 DDABLP CCc1[nH]c(C[N@H+]2C[C@@H](CC(=O)N(C)C)[C@@H](OC)C2)c(C)[nH+]1 ZINC000585275997 354820213 /nfs/dbraw/zinc/82/02/13/354820213.db2.gz CWIQCENWVNOJTJ-OCCSQVGLSA-N 2 2 308.426 1.206 40 0 DDABLP CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257302405 203027125 /nfs/dbraw/zinc/02/71/25/203027125.db2.gz SCUVFEZVYTUTLD-ZDUSSCGKSA-N 2 2 301.394 1.504 40 0 DDABLP CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[N@H+](C)CC2)cn1 ZINC000257307939 203031477 /nfs/dbraw/zinc/03/14/77/203031477.db2.gz TUUCTWVSKFAKOJ-UHFFFAOYSA-N 2 2 313.405 1.607 40 0 DDABLP CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[N@@H+](C)CC2)cn1 ZINC000257307939 203031480 /nfs/dbraw/zinc/03/14/80/203031480.db2.gz TUUCTWVSKFAKOJ-UHFFFAOYSA-N 2 2 313.405 1.607 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257326289 203048566 /nfs/dbraw/zinc/04/85/66/203048566.db2.gz WWQJWYHRXCRBTE-OAHLLOKOSA-N 2 2 300.410 1.609 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257326289 203048568 /nfs/dbraw/zinc/04/85/68/203048568.db2.gz WWQJWYHRXCRBTE-OAHLLOKOSA-N 2 2 300.410 1.609 40 0 DDABLP O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691225 406823769 /nfs/dbraw/zinc/82/37/69/406823769.db2.gz DLFLEELTPFHTED-UHFFFAOYSA-N 2 2 317.433 1.344 40 0 DDABLP c1csc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000096056247 407229752 /nfs/dbraw/zinc/22/97/52/407229752.db2.gz PIPNBQUGPINKBM-BHYGNILZSA-N 2 2 322.474 1.917 40 0 DDABLP c1csc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000096056247 407229755 /nfs/dbraw/zinc/22/97/55/407229755.db2.gz PIPNBQUGPINKBM-BHYGNILZSA-N 2 2 322.474 1.917 40 0 DDABLP Cn1cc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000107731360 407379506 /nfs/dbraw/zinc/37/95/06/407379506.db2.gz GMTRBYDZPCYKBM-HZPDHXFCSA-N 2 2 301.394 1.613 40 0 DDABLP Cn1cc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cn1 ZINC000107731360 407379507 /nfs/dbraw/zinc/37/95/07/407379507.db2.gz GMTRBYDZPCYKBM-HZPDHXFCSA-N 2 2 301.394 1.613 40 0 DDABLP C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3c[nH]cn3)CC2)cn1 ZINC000257238980 407512521 /nfs/dbraw/zinc/51/25/21/407512521.db2.gz HNJGZARGKDEPQU-UHFFFAOYSA-N 2 2 314.437 1.716 40 0 DDABLP C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3cnc[nH]3)CC2)cn1 ZINC000257238980 407512528 /nfs/dbraw/zinc/51/25/28/407512528.db2.gz HNJGZARGKDEPQU-UHFFFAOYSA-N 2 2 314.437 1.716 40 0 DDABLP Cc1c(C[N@@H+]2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)cnn1C ZINC000257271704 407531152 /nfs/dbraw/zinc/53/11/52/407531152.db2.gz MZKYKQLXIRFNAV-MRXNPFEDSA-N 2 2 301.394 1.588 40 0 DDABLP Cc1c(C[N@H+]2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)cnn1C ZINC000257271704 407531160 /nfs/dbraw/zinc/53/11/60/407531160.db2.gz MZKYKQLXIRFNAV-MRXNPFEDSA-N 2 2 301.394 1.588 40 0 DDABLP CCn1cc[nH+]c1CN1CCC2(C[C@H](NC(C)=O)C[N@@H+]2C)CC1 ZINC000019704258 352168965 /nfs/dbraw/zinc/16/89/65/352168965.db2.gz WLYBTDNYUZVKTN-HNNXBMFYSA-N 2 2 319.453 1.078 40 0 DDABLP CCn1cc[nH+]c1CN1CCC2(C[C@H](NC(C)=O)C[N@H+]2C)CC1 ZINC000019704258 352168971 /nfs/dbraw/zinc/16/89/71/352168971.db2.gz WLYBTDNYUZVKTN-HNNXBMFYSA-N 2 2 319.453 1.078 40 0 DDABLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257275760 203003498 /nfs/dbraw/zinc/00/34/98/203003498.db2.gz NQTUVXPXRYETGE-HNNXBMFYSA-N 2 2 313.405 1.796 40 0 DDABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OC ZINC000022076068 182308479 /nfs/dbraw/zinc/30/84/79/182308479.db2.gz IPFIZIGQZXDRFK-NSHDSACASA-N 2 2 316.829 1.807 40 0 DDABLP CC[N@@H+]1CCNC(=O)C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096230166 407254278 /nfs/dbraw/zinc/25/42/78/407254278.db2.gz MLOGVBDXHNGSGN-UHFFFAOYSA-N 2 2 305.397 1.612 40 0 DDABLP CC[N@H+]1CCNC(=O)C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096230166 407254280 /nfs/dbraw/zinc/25/42/80/407254280.db2.gz MLOGVBDXHNGSGN-UHFFFAOYSA-N 2 2 305.397 1.612 40 0 DDABLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC000096049453 407227610 /nfs/dbraw/zinc/22/76/10/407227610.db2.gz LOFVRMXGKXOCTC-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC000096049453 407227611 /nfs/dbraw/zinc/22/76/11/407227611.db2.gz LOFVRMXGKXOCTC-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccco3)C2)C1 ZINC000096049453 407227612 /nfs/dbraw/zinc/22/76/12/407227612.db2.gz LOFVRMXGKXOCTC-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccco3)C2)C1 ZINC000096049453 407227613 /nfs/dbraw/zinc/22/76/13/407227613.db2.gz LOFVRMXGKXOCTC-QGZVFWFLSA-N 2 2 308.422 1.840 40 0 DDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096052057 407228380 /nfs/dbraw/zinc/22/83/80/407228380.db2.gz XSEIVZXKEXULGO-SJORKVTESA-N 2 2 317.389 1.784 40 0 DDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccoc2)C3)c[nH+]1 ZINC000096052057 407228381 /nfs/dbraw/zinc/22/83/81/407228381.db2.gz XSEIVZXKEXULGO-SJORKVTESA-N 2 2 317.389 1.784 40 0 DDABLP c1ccc(-c2cc(C[NH2+]CC[NH+]3CCCC3)c3nnnn3c2)cc1 ZINC000072392326 191148595 /nfs/dbraw/zinc/14/85/95/191148595.db2.gz WTCYUAFEXFIIGB-UHFFFAOYSA-N 2 2 322.416 1.977 40 0 DDABLP C[NH+](C)CCC[NH2+]CC(=O)Nc1ccccc1N1CCOCC1 ZINC000004926846 181173931 /nfs/dbraw/zinc/17/39/31/181173931.db2.gz CFPLMZITFMFDJE-UHFFFAOYSA-N 2 2 320.437 1.003 40 0 DDABLP C[NH+](C)Cc1cnc([C@H]2C[N@H+](CC3CCOCC3)CCO2)[nH]1 ZINC000257270679 203000539 /nfs/dbraw/zinc/00/05/39/203000539.db2.gz MVFRPTMPRVBXRK-OAHLLOKOSA-N 2 2 308.426 1.271 40 0 DDABLP C[NH+](C)Cc1cnc([C@H]2C[N@@H+](CC3CCOCC3)CCO2)[nH]1 ZINC000257270679 203000543 /nfs/dbraw/zinc/00/05/43/203000543.db2.gz MVFRPTMPRVBXRK-OAHLLOKOSA-N 2 2 308.426 1.271 40 0 DDABLP C[NH+](C)Cc1c[nH]c([C@H]2C[N@H+](CC3CCOCC3)CCO2)n1 ZINC000257270679 203000545 /nfs/dbraw/zinc/00/05/45/203000545.db2.gz MVFRPTMPRVBXRK-OAHLLOKOSA-N 2 2 308.426 1.271 40 0 DDABLP C[NH+](C)Cc1c[nH]c([C@H]2C[N@@H+](CC3CCOCC3)CCO2)n1 ZINC000257270679 203000549 /nfs/dbraw/zinc/00/05/49/203000549.db2.gz MVFRPTMPRVBXRK-OAHLLOKOSA-N 2 2 308.426 1.271 40 0 DDABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1ccoc1)CC2 ZINC000096058947 407231618 /nfs/dbraw/zinc/23/16/18/407231618.db2.gz TVFALUXAOJKRLN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1ccoc1)CC2 ZINC000096058947 407231621 /nfs/dbraw/zinc/23/16/21/407231621.db2.gz TVFALUXAOJKRLN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096058947 407231624 /nfs/dbraw/zinc/23/16/24/407231624.db2.gz TVFALUXAOJKRLN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1ccoc1)CC2 ZINC000096058947 407231626 /nfs/dbraw/zinc/23/16/26/407231626.db2.gz TVFALUXAOJKRLN-UHFFFAOYSA-N 2 2 303.410 1.770 40 0 DDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1c(C)noc1C)C2 ZINC000096062305 407232714 /nfs/dbraw/zinc/23/27/14/407232714.db2.gz VQBNOEZESWHJHL-QGZVFWFLSA-N 2 2 323.437 1.462 40 0 DDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1c(C)noc1C)C2 ZINC000096062305 407232716 /nfs/dbraw/zinc/23/27/16/407232716.db2.gz VQBNOEZESWHJHL-QGZVFWFLSA-N 2 2 323.437 1.462 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC000096062305 407232718 /nfs/dbraw/zinc/23/27/18/407232718.db2.gz VQBNOEZESWHJHL-QGZVFWFLSA-N 2 2 323.437 1.462 40 0 DDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096062305 407232721 /nfs/dbraw/zinc/23/27/21/407232721.db2.gz VQBNOEZESWHJHL-QGZVFWFLSA-N 2 2 323.437 1.462 40 0 DDABLP c1ccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)nc1 ZINC000096158847 407241629 /nfs/dbraw/zinc/24/16/29/407241629.db2.gz YVKUVGOSQNHZPZ-QGZVFWFLSA-N 2 2 317.433 1.537 40 0 DDABLP c1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)nc1 ZINC000096158847 407241632 /nfs/dbraw/zinc/24/16/32/407241632.db2.gz YVKUVGOSQNHZPZ-QGZVFWFLSA-N 2 2 317.433 1.537 40 0 DDABLP C[NH+]1CCN(C(=O)c2cncc(C[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000257255672 407520804 /nfs/dbraw/zinc/52/08/04/407520804.db2.gz KIKPFGKKNZGHPZ-OAHLLOKOSA-N 2 2 316.449 1.354 40 0 DDABLP C[NH+]1CCN(C(=O)c2cncc(C[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000257255672 407520810 /nfs/dbraw/zinc/52/08/10/407520810.db2.gz KIKPFGKKNZGHPZ-OAHLLOKOSA-N 2 2 316.449 1.354 40 0 DDABLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000257332714 203055149 /nfs/dbraw/zinc/05/51/49/203055149.db2.gz XYJDCQKFZZJJDK-AWEZNQCLSA-N 2 2 300.362 1.134 40 0 DDABLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215313 407250497 /nfs/dbraw/zinc/25/04/97/407250497.db2.gz HROQYYJYLPJDIN-SFHVURJKSA-N 2 2 316.449 1.458 40 0 DDABLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC000096215313 407250500 /nfs/dbraw/zinc/25/05/00/407250500.db2.gz HROQYYJYLPJDIN-SFHVURJKSA-N 2 2 316.449 1.458 40 0 DDABLP CN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC000096215313 407250503 /nfs/dbraw/zinc/25/05/03/407250503.db2.gz HROQYYJYLPJDIN-SFHVURJKSA-N 2 2 316.449 1.458 40 0 DDABLP CN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096215313 407250505 /nfs/dbraw/zinc/25/05/05/407250505.db2.gz HROQYYJYLPJDIN-SFHVURJKSA-N 2 2 316.449 1.458 40 0 DDABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257268021 407530712 /nfs/dbraw/zinc/53/07/12/407530712.db2.gz MJXFWOFESNKAII-ZDUSSCGKSA-N 2 2 301.394 1.883 40 0 DDABLP CCOC[C@H]1CC[N@H+](C)C2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248136153 408536092 /nfs/dbraw/zinc/53/60/92/408536092.db2.gz RTMROSCXFFRXPM-AWEZNQCLSA-N 2 2 319.453 1.480 40 0 DDABLP CCOC[C@H]1CC[N@@H+](C)C2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248136153 408536099 /nfs/dbraw/zinc/53/60/99/408536099.db2.gz RTMROSCXFFRXPM-AWEZNQCLSA-N 2 2 319.453 1.480 40 0 DDABLP CC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3c[nH+]cn3C)CC2)C1 ZINC000257304816 203029473 /nfs/dbraw/zinc/02/94/73/203029473.db2.gz SNGAPPSYDDBQTE-CQSZACIVSA-N 2 2 306.410 1.070 40 0 DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096062313 407233037 /nfs/dbraw/zinc/23/30/37/407233037.db2.gz IERNRLRHNPCFLV-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096062313 407233040 /nfs/dbraw/zinc/23/30/40/407233040.db2.gz IERNRLRHNPCFLV-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096062313 407233042 /nfs/dbraw/zinc/23/30/42/407233042.db2.gz IERNRLRHNPCFLV-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096062313 407233045 /nfs/dbraw/zinc/23/30/45/407233045.db2.gz IERNRLRHNPCFLV-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP C[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC000096185671 407244754 /nfs/dbraw/zinc/24/47/54/407244754.db2.gz SIFFBJDSUQGYJC-KURKYZTESA-N 2 2 311.433 1.873 40 0 DDABLP C[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]21 ZINC000096185671 407244756 /nfs/dbraw/zinc/24/47/56/407244756.db2.gz SIFFBJDSUQGYJC-KURKYZTESA-N 2 2 311.433 1.873 40 0 DDABLP C[NH+]1[C@@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000096185671 407244757 /nfs/dbraw/zinc/24/47/57/407244757.db2.gz SIFFBJDSUQGYJC-KURKYZTESA-N 2 2 311.433 1.873 40 0 DDABLP C[NH+]1[C@@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC000096185671 407244758 /nfs/dbraw/zinc/24/47/58/407244758.db2.gz SIFFBJDSUQGYJC-KURKYZTESA-N 2 2 311.433 1.873 40 0 DDABLP CC[NH+](CC)[C@H]1COC[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@@H]21 ZINC000096186817 407245621 /nfs/dbraw/zinc/24/56/21/407245621.db2.gz WKRXJOHEKRIFSH-ULQDDVLXSA-N 2 2 319.449 1.879 40 0 DDABLP CC[NH+](CC)[C@H]1COC[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@@H]21 ZINC000096186817 407245622 /nfs/dbraw/zinc/24/56/22/407245622.db2.gz WKRXJOHEKRIFSH-ULQDDVLXSA-N 2 2 319.449 1.879 40 0 DDABLP c1coc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000107738910 407379573 /nfs/dbraw/zinc/37/95/73/407379573.db2.gz YRMDAMPUCRGRNC-DOTOQJQBSA-N 2 2 317.389 1.784 40 0 DDABLP c1coc(C[N@@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000107738910 407379575 /nfs/dbraw/zinc/37/95/75/407379575.db2.gz YRMDAMPUCRGRNC-DOTOQJQBSA-N 2 2 317.389 1.784 40 0 DDABLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257271539 407528961 /nfs/dbraw/zinc/52/89/61/407528961.db2.gz MYSOTCDEIRKVOD-BFYDXBDKSA-N 2 2 320.437 1.109 40 0 DDABLP C[NH+](C)CCNC(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306132844 409771006 /nfs/dbraw/zinc/77/10/06/409771006.db2.gz LUBWZJZQOQQEJU-CQSZACIVSA-N 2 2 315.421 1.392 40 0 DDABLP C[NH+](C)CCNC(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306132844 409771014 /nfs/dbraw/zinc/77/10/14/409771014.db2.gz LUBWZJZQOQQEJU-CQSZACIVSA-N 2 2 315.421 1.392 40 0 DDABLP C[NH+](C)CCNc1nc(NCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329022136 410056924 /nfs/dbraw/zinc/05/69/24/410056924.db2.gz OKZCIDNGRNHJMI-UHFFFAOYSA-N 2 2 311.433 1.783 40 0 DDABLP O=C(CCC[NH+]1CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019401788 182121394 /nfs/dbraw/zinc/12/13/94/182121394.db2.gz AVCZJOBBVHDZSL-UHFFFAOYSA-N 2 2 316.449 1.602 40 0 DDABLP COc1ccc2[nH]c(=O)c(C[NH2+]CC[NH+]3CCCC3)cc2c1 ZINC000023247901 182354417 /nfs/dbraw/zinc/35/44/17/182354417.db2.gz JDTHLUNOQYJTKZ-UHFFFAOYSA-N 2 2 301.390 1.722 40 0 DDABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OC ZINC000022076106 406888581 /nfs/dbraw/zinc/88/85/81/406888581.db2.gz UKSJVIYCUMBXLH-SNVBAGLBSA-N 2 2 302.802 1.417 40 0 DDABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096201980 407248833 /nfs/dbraw/zinc/24/88/33/407248833.db2.gz MSTNWRWLENVGAX-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096201980 407248835 /nfs/dbraw/zinc/24/88/35/407248835.db2.gz MSTNWRWLENVGAX-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096201980 407248838 /nfs/dbraw/zinc/24/88/38/407248838.db2.gz MSTNWRWLENVGAX-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096201980 407248840 /nfs/dbraw/zinc/24/88/40/407248840.db2.gz MSTNWRWLENVGAX-KRWDZBQOSA-N 2 2 305.422 1.252 40 0 DDABLP c1coc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202029 407249572 /nfs/dbraw/zinc/24/95/72/407249572.db2.gz IQVYHAYNHUVKHP-GOSISDBHSA-N 2 2 320.433 1.983 40 0 DDABLP c1coc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202029 407249574 /nfs/dbraw/zinc/24/95/74/407249574.db2.gz IQVYHAYNHUVKHP-GOSISDBHSA-N 2 2 320.433 1.983 40 0 DDABLP c1coc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202029 407249576 /nfs/dbraw/zinc/24/95/76/407249576.db2.gz IQVYHAYNHUVKHP-GOSISDBHSA-N 2 2 320.433 1.983 40 0 DDABLP c1coc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202029 407249579 /nfs/dbraw/zinc/24/95/79/407249579.db2.gz IQVYHAYNHUVKHP-GOSISDBHSA-N 2 2 320.433 1.983 40 0 DDABLP CC[N@H+](Cc1cscn1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257207033 407494043 /nfs/dbraw/zinc/49/40/43/407494043.db2.gz BGBLCKPSLGJYAP-AWEZNQCLSA-N 2 2 320.422 1.313 40 0 DDABLP CC[N@@H+](Cc1cscn1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257207033 407494047 /nfs/dbraw/zinc/49/40/47/407494047.db2.gz BGBLCKPSLGJYAP-AWEZNQCLSA-N 2 2 320.422 1.313 40 0 DDABLP COc1cccc(O[C@@H]2C[C@@H]([NH3+])[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000257258266 407524374 /nfs/dbraw/zinc/52/43/74/407524374.db2.gz KTBAJXPATSTNCO-NCOADZHNSA-N 2 2 306.406 1.389 40 0 DDABLP C[NH+]1CCC([NH+]2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)CC1 ZINC000257267638 282697258 /nfs/dbraw/zinc/69/72/58/282697258.db2.gz MIEZCKIMMNPSLM-UHFFFAOYSA-N 2 2 315.421 1.709 40 0 DDABLP Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355601 191130777 /nfs/dbraw/zinc/13/07/77/191130777.db2.gz LTTVEMQWFXEMHB-CQSZACIVSA-N 2 2 323.404 1.775 40 0 DDABLP Cn1ccnc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355601 191130779 /nfs/dbraw/zinc/13/07/79/191130779.db2.gz LTTVEMQWFXEMHB-CQSZACIVSA-N 2 2 323.404 1.775 40 0 DDABLP CC(=O)N1CCN(c2ccc(CC[C@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000072365053 191134486 /nfs/dbraw/zinc/13/44/86/191134486.db2.gz SQUKOWUJTJPIQS-MRXNPFEDSA-N 2 2 302.422 1.435 40 0 DDABLP Cc1cc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)cc(C)c1Cl ZINC000064875889 184305719 /nfs/dbraw/zinc/30/57/19/184305719.db2.gz MWSNLCYBXAVRHV-AWEZNQCLSA-N 2 2 312.841 1.992 40 0 DDABLP Cc1cc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)cc(C)c1Cl ZINC000064875889 184305720 /nfs/dbraw/zinc/30/57/20/184305720.db2.gz MWSNLCYBXAVRHV-AWEZNQCLSA-N 2 2 312.841 1.992 40 0 DDABLP CCOC(=O)c1c[nH+]c2cc(F)ccc2c1N1CC[NH2+]CC1 ZINC000064874575 407239307 /nfs/dbraw/zinc/23/93/07/407239307.db2.gz LUMYGSQFRKFQBB-UHFFFAOYSA-N 2 2 303.337 1.960 40 0 DDABLP CCn1cc[nH+]c1CN1CCC2(C[C@@H](NC(C)=O)C[N@@H+]2C)CC1 ZINC000019704257 352168917 /nfs/dbraw/zinc/16/89/17/352168917.db2.gz WLYBTDNYUZVKTN-OAHLLOKOSA-N 2 2 319.453 1.078 40 0 DDABLP CCn1cc[nH+]c1CN1CCC2(C[C@@H](NC(C)=O)C[N@H+]2C)CC1 ZINC000019704257 352168924 /nfs/dbraw/zinc/16/89/24/352168924.db2.gz WLYBTDNYUZVKTN-OAHLLOKOSA-N 2 2 319.453 1.078 40 0 DDABLP O=C1C[C@@H]([NH2+]CCc2c[nH]c[nH+]2)C(=O)N1c1cccc(Cl)c1 ZINC000105331279 194097897 /nfs/dbraw/zinc/09/78/97/194097897.db2.gz BSGOUTAVSXUANY-CYBMUJFWSA-N 2 2 318.764 1.527 40 0 DDABLP O=C1C[C@@H]([NH2+]CCc2c[nH+]c[nH]2)C(=O)N1c1cccc(Cl)c1 ZINC000105331279 194097900 /nfs/dbraw/zinc/09/79/00/194097900.db2.gz BSGOUTAVSXUANY-CYBMUJFWSA-N 2 2 318.764 1.527 40 0 DDABLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257208719 407496647 /nfs/dbraw/zinc/49/66/47/407496647.db2.gz BNJLYWUBUVUXNZ-QGZVFWFLSA-N 2 2 317.433 1.224 40 0 DDABLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257208719 407496650 /nfs/dbraw/zinc/49/66/50/407496650.db2.gz BNJLYWUBUVUXNZ-QGZVFWFLSA-N 2 2 317.433 1.224 40 0 DDABLP CC(C)[N@H+](C)Cc1ncn2c1C[NH+](CC(=O)N(C)C)CCC2 ZINC000096084614 279384950 /nfs/dbraw/zinc/38/49/50/279384950.db2.gz BUAAFLUEOBFWKH-UHFFFAOYSA-N 2 2 307.442 1.017 40 0 DDABLP CC(C)[N@@H+](C)Cc1ncn2c1C[NH+](CC(=O)N(C)C)CCC2 ZINC000096084614 279384953 /nfs/dbraw/zinc/38/49/53/279384953.db2.gz BUAAFLUEOBFWKH-UHFFFAOYSA-N 2 2 307.442 1.017 40 0 DDABLP CC(C)[NH+](C)Cc1ncn2c1C[N@H+](CC(=O)N(C)C)CCC2 ZINC000096084614 279384954 /nfs/dbraw/zinc/38/49/54/279384954.db2.gz BUAAFLUEOBFWKH-UHFFFAOYSA-N 2 2 307.442 1.017 40 0 DDABLP CC(C)[NH+](C)Cc1ncn2c1C[N@@H+](CC(=O)N(C)C)CCC2 ZINC000096084614 279384956 /nfs/dbraw/zinc/38/49/56/279384956.db2.gz BUAAFLUEOBFWKH-UHFFFAOYSA-N 2 2 307.442 1.017 40 0 DDABLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCn2cc[nH+]c2)cc1 ZINC000257298827 203023644 /nfs/dbraw/zinc/02/36/44/203023644.db2.gz RNKWHTFLFWUAPB-MRXNPFEDSA-N 2 2 314.389 1.455 40 0 DDABLP Cn1cc[nH+]c1CN1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257305391 203029530 /nfs/dbraw/zinc/02/95/30/203029530.db2.gz SPUKYPABDXMTTK-CQSZACIVSA-N 2 2 300.410 1.609 40 0 DDABLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257343261 203064129 /nfs/dbraw/zinc/06/41/29/203064129.db2.gz ZSEFYSNFBZBUOE-BFYDXBDKSA-N 2 2 320.437 1.157 40 0 DDABLP Cn1cc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)cn1 ZINC000096226208 407254105 /nfs/dbraw/zinc/25/41/05/407254105.db2.gz XZVOXBYRPPYMKJ-UHFFFAOYSA-N 2 2 304.438 1.497 40 0 DDABLP Cn1cc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)cn1 ZINC000096226208 407254108 /nfs/dbraw/zinc/25/41/08/407254108.db2.gz XZVOXBYRPPYMKJ-UHFFFAOYSA-N 2 2 304.438 1.497 40 0 DDABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](CC2CCOCC2)CC1 ZINC000096037008 407224866 /nfs/dbraw/zinc/22/48/66/407224866.db2.gz REMPJOZPDQEJKQ-UHFFFAOYSA-N 2 2 318.465 1.855 40 0 DDABLP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000096051932 282128772 /nfs/dbraw/zinc/12/87/72/282128772.db2.gz IVOINTDQENNFQE-UKRRQHHQSA-N 2 2 311.451 1.312 40 0 DDABLP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000096051932 282128774 /nfs/dbraw/zinc/12/87/74/282128774.db2.gz IVOINTDQENNFQE-UKRRQHHQSA-N 2 2 311.451 1.312 40 0 DDABLP c1coc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096207340 407249664 /nfs/dbraw/zinc/24/96/64/407249664.db2.gz XPKSEAABUIKEIZ-WMLDXEAASA-N 2 2 306.406 1.591 40 0 DDABLP c1coc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096207340 407249666 /nfs/dbraw/zinc/24/96/66/407249666.db2.gz XPKSEAABUIKEIZ-WMLDXEAASA-N 2 2 306.406 1.591 40 0 DDABLP c1coc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096207340 407249668 /nfs/dbraw/zinc/24/96/68/407249668.db2.gz XPKSEAABUIKEIZ-WMLDXEAASA-N 2 2 306.406 1.591 40 0 DDABLP c1coc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096207340 407249671 /nfs/dbraw/zinc/24/96/71/407249671.db2.gz XPKSEAABUIKEIZ-WMLDXEAASA-N 2 2 306.406 1.591 40 0 DDABLP COc1ccc([C@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@@H+]2C)cc1 ZINC000257242781 407512477 /nfs/dbraw/zinc/51/24/77/407512477.db2.gz IECPYUOUYOGGRI-QGZVFWFLSA-N 2 2 317.433 1.510 40 0 DDABLP COc1ccc([C@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@H+]2C)cc1 ZINC000257242781 407512484 /nfs/dbraw/zinc/51/24/84/407512484.db2.gz IECPYUOUYOGGRI-QGZVFWFLSA-N 2 2 317.433 1.510 40 0 DDABLP CCc1[nH]c(C[N@@H+]2CCC[C@@]2(COC)CC(=O)NC)c(C)[nH+]1 ZINC000585278395 354822065 /nfs/dbraw/zinc/82/20/65/354822065.db2.gz SLWXQKUKBXRNJF-INIZCTEOSA-N 2 2 308.426 1.398 40 0 DDABLP CCc1[nH]c(C[N@H+]2CCC[C@@]2(COC)CC(=O)NC)c(C)[nH+]1 ZINC000585278395 354822069 /nfs/dbraw/zinc/82/20/69/354822069.db2.gz SLWXQKUKBXRNJF-INIZCTEOSA-N 2 2 308.426 1.398 40 0 DDABLP [NH3+][C@H](c1nnc(CC[NH+]2CCOCC2)[nH]1)c1ccc(Cl)cc1 ZINC000095533984 257137924 /nfs/dbraw/zinc/13/79/24/257137924.db2.gz IUVZTHAGERCKNA-AWEZNQCLSA-N 2 2 321.812 1.381 40 0 DDABLP O[C@@H]1[C@@H]([NH+]2CCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC000012529640 406847301 /nfs/dbraw/zinc/84/73/01/406847301.db2.gz HCGAZGUNOTUNAS-OVYGPGRDSA-N 2 2 310.438 1.105 40 0 biogenic,in-vitro DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccnc1)CCC2 ZINC000096059567 407231652 /nfs/dbraw/zinc/23/16/52/407231652.db2.gz CCNDZWWTNPGAMK-UHFFFAOYSA-N 2 2 313.405 1.106 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccnc1)CCC2 ZINC000096059567 407231656 /nfs/dbraw/zinc/23/16/56/407231656.db2.gz CCNDZWWTNPGAMK-UHFFFAOYSA-N 2 2 313.405 1.106 40 0 DDABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096059185 407231857 /nfs/dbraw/zinc/23/18/57/407231857.db2.gz RXRDMKKZJJITEZ-GFCCVEGCSA-N 2 2 304.419 1.778 40 0 DDABLP Cn1c[nH+]cc1C[N@@H+]1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269354 354818711 /nfs/dbraw/zinc/81/87/11/354818711.db2.gz QGVCCGANANUEQT-MRXNPFEDSA-N 2 2 305.353 1.575 40 0 DDABLP Cn1c[nH+]cc1C[N@H+]1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269354 354818712 /nfs/dbraw/zinc/81/87/12/354818712.db2.gz QGVCCGANANUEQT-MRXNPFEDSA-N 2 2 305.353 1.575 40 0 DDABLP COCCN1CC2(CCC1=O)CC[NH+](Cc1c[nH+]c(C)[nH]1)CC2 ZINC000108535430 407387514 /nfs/dbraw/zinc/38/75/14/407387514.db2.gz FRMYUBGFFXYDOD-UHFFFAOYSA-N 2 2 320.437 1.569 40 0 DDABLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC000096049458 407227117 /nfs/dbraw/zinc/22/71/17/407227117.db2.gz DDTSJKFJBRKERG-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC000096049458 407227118 /nfs/dbraw/zinc/22/71/18/407227118.db2.gz DDTSJKFJBRKERG-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC000096049458 407227119 /nfs/dbraw/zinc/22/71/19/407227119.db2.gz DDTSJKFJBRKERG-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096049458 407227121 /nfs/dbraw/zinc/22/71/21/407227121.db2.gz DDTSJKFJBRKERG-KRWDZBQOSA-N 2 2 308.422 1.840 40 0 DDABLP c1csc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)c1 ZINC000096196980 407247482 /nfs/dbraw/zinc/24/74/82/407247482.db2.gz PFRUPFVSBVKPKR-UHFFFAOYSA-N 2 2 314.418 1.643 40 0 DDABLP c1csc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)c1 ZINC000096196980 407247483 /nfs/dbraw/zinc/24/74/83/407247483.db2.gz PFRUPFVSBVKPKR-UHFFFAOYSA-N 2 2 314.418 1.643 40 0 DDABLP CNc1cc(C)[nH+]c([C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)c1 ZINC000257246322 407517205 /nfs/dbraw/zinc/51/72/05/407517205.db2.gz ITPJBKZIFSYHTA-INIZCTEOSA-N 2 2 321.421 1.347 40 0 DDABLP CNc1cc(C)[nH+]c([C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)c1 ZINC000257246322 407517210 /nfs/dbraw/zinc/51/72/10/407517210.db2.gz ITPJBKZIFSYHTA-INIZCTEOSA-N 2 2 321.421 1.347 40 0 DDABLP CCN(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411559 185170077 /nfs/dbraw/zinc/17/00/77/185170077.db2.gz PXWKDVJZKRAZMV-MRXNPFEDSA-N 2 2 305.422 1.926 40 0 DDABLP CCN(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411559 185170078 /nfs/dbraw/zinc/17/00/78/185170078.db2.gz PXWKDVJZKRAZMV-MRXNPFEDSA-N 2 2 305.422 1.926 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccco1)CCC2 ZINC000096059559 407231700 /nfs/dbraw/zinc/23/17/00/407231700.db2.gz FYUTWIWHWKHRFQ-UHFFFAOYSA-N 2 2 302.378 1.304 40 0 DDABLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccco1)CCC2 ZINC000096059559 407231701 /nfs/dbraw/zinc/23/17/01/407231701.db2.gz FYUTWIWHWKHRFQ-UHFFFAOYSA-N 2 2 302.378 1.304 40 0 DDABLP CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CC2CCCCC2)[C@@H]1O ZINC000096533295 407274037 /nfs/dbraw/zinc/27/40/37/407274037.db2.gz JHAFNLMRIZRFQX-OVYGPGRDSA-N 2 2 312.454 1.351 40 0 biogenic,in-vitro DDABLP