smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC1CCN(c2cc[nH+]cc2F)CC1)[C@@H]1CCOC1 ZINC000952970763 721529364 /nfs/dbraw/zinc/52/93/64/721529364.db2.gz TTXSJIXTDZQMFG-CYBMUJFWSA-N 1 2 307.369 1.590 50 0 DDAALO O=C(c1ccc(Cl)c(O)c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000952993033 721533845 /nfs/dbraw/zinc/53/38/45/721533845.db2.gz UQYJILFHVJDDQN-UONOGXRCSA-N 1 2 324.808 1.717 50 0 DDAALO C[C@H](CC(=O)N[C@H](CO)c1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000585127964 771960234 /nfs/dbraw/zinc/96/02/34/771960234.db2.gz NTUMZVUELQULTL-SWLSCSKDSA-N 1 2 319.380 1.978 50 0 DDAALO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@@H]2COC3(CCCCC3)O2)nc1=N ZINC000952882913 775640027 /nfs/dbraw/zinc/64/00/27/775640027.db2.gz LELPJSWBPBVENL-OLZOCXBDSA-N 1 2 321.425 1.440 50 0 DDAALO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@@H]2COC3(CCCCC3)O2)nc1=N ZINC000952882913 775640035 /nfs/dbraw/zinc/64/00/35/775640035.db2.gz LELPJSWBPBVENL-OLZOCXBDSA-N 1 2 321.425 1.440 50 0 DDAALO O=C(NCCc1c[nH+]c[nH]1)c1cccc(Nc2ncccn2)c1 ZINC000095480649 185373703 /nfs/dbraw/zinc/37/37/03/185373703.db2.gz XDGYWVQPZSWZIE-UHFFFAOYSA-N 1 2 308.345 1.916 50 0 DDAALO O=C(NCCc1c[nH]c[nH+]1)c1cccc(Nc2ncccn2)c1 ZINC000095480649 185373704 /nfs/dbraw/zinc/37/37/04/185373704.db2.gz XDGYWVQPZSWZIE-UHFFFAOYSA-N 1 2 308.345 1.916 50 0 DDAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000095527741 185378292 /nfs/dbraw/zinc/37/82/92/185378292.db2.gz SVQCKMIFWVBXSN-OAHLLOKOSA-N 1 2 314.389 1.944 50 0 DDAALO CNC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000078892427 185124053 /nfs/dbraw/zinc/12/40/53/185124053.db2.gz GVJBQHWEYGAOJP-AWEZNQCLSA-N 1 2 315.377 1.046 50 0 DDAALO CNC(=O)c1ccc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000078892427 185124055 /nfs/dbraw/zinc/12/40/55/185124055.db2.gz GVJBQHWEYGAOJP-AWEZNQCLSA-N 1 2 315.377 1.046 50 0 DDAALO CN1CC[N@H+](C)[C@H](CNC(=O)NCCCC2CCCCC2)C1 ZINC000078925043 185129884 /nfs/dbraw/zinc/12/98/84/185129884.db2.gz KLPSLYODPPGVGR-MRXNPFEDSA-N 1 2 310.486 1.892 50 0 DDAALO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCCC2CCCCC2)C1 ZINC000078925043 185129886 /nfs/dbraw/zinc/12/98/86/185129886.db2.gz KLPSLYODPPGVGR-MRXNPFEDSA-N 1 2 310.486 1.892 50 0 DDAALO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)sc1C ZINC000078970943 185137049 /nfs/dbraw/zinc/13/70/49/185137049.db2.gz AVFLAVIUFWLPNJ-GFCCVEGCSA-N 1 2 322.478 1.545 50 0 DDAALO Cn1c2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2nc1C1CC1 ZINC000089989369 185275058 /nfs/dbraw/zinc/27/50/58/185275058.db2.gz NKDJFARQNNAAEI-OAHLLOKOSA-N 1 2 314.389 1.720 50 0 DDAALO Cn1c2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2nc1C1CC1 ZINC000089989369 185275059 /nfs/dbraw/zinc/27/50/59/185275059.db2.gz NKDJFARQNNAAEI-OAHLLOKOSA-N 1 2 314.389 1.720 50 0 DDAALO CC[C@H]1CCCCN1C(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000089948286 185270937 /nfs/dbraw/zinc/27/09/37/185270937.db2.gz QSQXKNTZTQOVKA-AWEZNQCLSA-N 1 2 319.405 1.931 50 0 DDAALO Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000097197660 282248175 /nfs/dbraw/zinc/24/81/75/282248175.db2.gz LUGWZKCQQMXMIC-CYBMUJFWSA-N 1 2 322.372 1.517 50 0 DDAALO CCOC[C@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2OC)CC1 ZINC000095396837 185353103 /nfs/dbraw/zinc/35/31/03/185353103.db2.gz FGRPGGYSDNDAOB-JKSUJKDBSA-N 1 2 322.449 1.771 50 0 DDAALO O=C([O-])[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082148135 192362549 /nfs/dbraw/zinc/36/25/49/192362549.db2.gz AZLUGDRIJZPQJV-OAHLLOKOSA-N 1 2 303.406 1.843 50 0 DDAALO O=C([O-])[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082148135 192362551 /nfs/dbraw/zinc/36/25/51/192362551.db2.gz AZLUGDRIJZPQJV-OAHLLOKOSA-N 1 2 303.406 1.843 50 0 DDAALO COC(=O)[C@H](O)C1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000095432437 185363411 /nfs/dbraw/zinc/36/34/11/185363411.db2.gz PJSOJVNTJYVVQU-LLVKDONJSA-N 1 2 303.309 1.024 50 0 DDAALO O=C(CCn1cccn1)Nc1ccc(C[NH+]2CCOCC2)cn1 ZINC000095443717 185367026 /nfs/dbraw/zinc/36/70/26/185367026.db2.gz MTJJTEBAXPIEHE-UHFFFAOYSA-N 1 2 315.377 1.139 50 0 DDAALO CC(C)(O)[C@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000097114138 185412503 /nfs/dbraw/zinc/41/25/03/185412503.db2.gz MOHFBTMDBQFAKS-CYBMUJFWSA-N 1 2 302.378 1.779 50 0 DDAALO Cn1ccc2c1nccc2-c1cc(N)nc(N2CCOCC2)[nH+]1 ZINC000072128452 191042498 /nfs/dbraw/zinc/04/24/98/191042498.db2.gz QHYUKNUOBZIZGP-UHFFFAOYSA-N 1 2 310.361 1.449 50 0 DDAALO Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)sc1Cl ZINC000191843165 186262439 /nfs/dbraw/zinc/26/24/39/186262439.db2.gz FAQVENDXURAANB-UHFFFAOYSA-N 1 2 305.812 1.885 50 0 DDAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000072412211 191156000 /nfs/dbraw/zinc/15/60/00/191156000.db2.gz AYUMUEHOEUHGHY-ZDUSSCGKSA-N 1 2 321.425 1.065 50 0 DDAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000072412211 191156002 /nfs/dbraw/zinc/15/60/02/191156002.db2.gz AYUMUEHOEUHGHY-ZDUSSCGKSA-N 1 2 321.425 1.065 50 0 DDAALO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000043613933 352369741 /nfs/dbraw/zinc/36/97/41/352369741.db2.gz XPNCOXSZHBINQC-UHFFFAOYSA-N 1 2 308.856 1.869 50 0 DDAALO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000043613933 352369745 /nfs/dbraw/zinc/36/97/45/352369745.db2.gz XPNCOXSZHBINQC-UHFFFAOYSA-N 1 2 308.856 1.869 50 0 DDAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCn2c(C)nnc2C1 ZINC000069453151 353161819 /nfs/dbraw/zinc/16/18/19/353161819.db2.gz FANHNDGCJKAZII-UHFFFAOYSA-N 1 2 324.388 1.541 50 0 DDAALO CC1(C)COCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000071824783 353193229 /nfs/dbraw/zinc/19/32/29/353193229.db2.gz HVNSIEMSABNYNT-UHFFFAOYSA-N 1 2 307.781 1.959 50 0 DDAALO CC1(C)COCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000071824783 353193234 /nfs/dbraw/zinc/19/32/34/353193234.db2.gz HVNSIEMSABNYNT-UHFFFAOYSA-N 1 2 307.781 1.959 50 0 DDAALO Cc1nc(C[N@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 ZINC000084274733 353719262 /nfs/dbraw/zinc/71/92/62/353719262.db2.gz PPZJNIRJCJUDAI-CQSZACIVSA-N 1 2 308.407 1.356 50 0 DDAALO Cc1nc(C[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)cs1 ZINC000084274733 353719264 /nfs/dbraw/zinc/71/92/64/353719264.db2.gz PPZJNIRJCJUDAI-CQSZACIVSA-N 1 2 308.407 1.356 50 0 DDAALO CSc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004386627 181106176 /nfs/dbraw/zinc/10/61/76/181106176.db2.gz VCVCQZPACSDKTD-UHFFFAOYSA-N 1 2 311.432 1.974 50 0 DDAALO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000104797504 283022997 /nfs/dbraw/zinc/02/29/97/283022997.db2.gz BZMGFMZWNWFGLX-HZPDHXFCSA-N 1 2 303.406 1.864 50 0 DDAALO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000104797504 283023004 /nfs/dbraw/zinc/02/30/04/283023004.db2.gz BZMGFMZWNWFGLX-HZPDHXFCSA-N 1 2 303.406 1.864 50 0 DDAALO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN([C@H]3CCOC3=O)C2)o1 ZINC000299754203 354457276 /nfs/dbraw/zinc/45/72/76/354457276.db2.gz RLUKKBSYXVFXDK-STQMWFEESA-N 1 2 307.394 1.620 50 0 DDAALO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN([C@H]3CCOC3=O)C2)o1 ZINC000299754203 354457281 /nfs/dbraw/zinc/45/72/81/354457281.db2.gz RLUKKBSYXVFXDK-STQMWFEESA-N 1 2 307.394 1.620 50 0 DDAALO CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)o1 ZINC000299754203 354457285 /nfs/dbraw/zinc/45/72/85/354457285.db2.gz RLUKKBSYXVFXDK-STQMWFEESA-N 1 2 307.394 1.620 50 0 DDAALO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)o1 ZINC000299754203 354457287 /nfs/dbraw/zinc/45/72/87/354457287.db2.gz RLUKKBSYXVFXDK-STQMWFEESA-N 1 2 307.394 1.620 50 0 DDAALO COCCn1c[nH+]cc1CNC(=O)c1cccc2c1CCC2=O ZINC000584888922 354791502 /nfs/dbraw/zinc/79/15/02/354791502.db2.gz SDQSDZGVLDRAJH-UHFFFAOYSA-N 1 2 313.357 1.588 50 0 DDAALO COCCn1c[nH+]cc1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC000584890026 354792750 /nfs/dbraw/zinc/79/27/50/354792750.db2.gz IHTJQVXWUFEFTB-UHFFFAOYSA-N 1 2 313.361 1.644 50 0 DDAALO Cc1csc(CCNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)n1 ZINC000584886256 354789188 /nfs/dbraw/zinc/78/91/88/354789188.db2.gz YATSYFITOQBSDG-UHFFFAOYSA-N 1 2 305.407 1.793 50 0 DDAALO Cc1csc(CCNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)n1 ZINC000584886256 354789193 /nfs/dbraw/zinc/78/91/93/354789193.db2.gz YATSYFITOQBSDG-UHFFFAOYSA-N 1 2 305.407 1.793 50 0 DDAALO CN(C)c1cc(CNC(=O)[C@@H]2C(=O)NC[C@H]2C(C)(C)C)cc[nH+]1 ZINC000585149763 354816907 /nfs/dbraw/zinc/81/69/07/354816907.db2.gz MWBOMAKOIMBVTF-TZMCWYRMSA-N 1 2 318.421 1.172 50 0 DDAALO NC(=O)CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000005143133 181208655 /nfs/dbraw/zinc/20/86/55/181208655.db2.gz QPQUBJPWTIUORI-UHFFFAOYSA-N 1 2 311.370 1.907 50 0 DDAALO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCCn1cc[nH+]c1 ZINC000005265423 181223976 /nfs/dbraw/zinc/22/39/76/181223976.db2.gz GLBVKHNHXBXQJA-CQSZACIVSA-N 1 2 318.377 1.437 50 0 DDAALO CC(C)N(CC1CCC1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000193628832 201089355 /nfs/dbraw/zinc/08/93/55/201089355.db2.gz GMPPCBXCLBIZGD-HNNXBMFYSA-N 1 2 310.486 1.842 50 0 DDAALO CCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091416570 193053107 /nfs/dbraw/zinc/05/31/07/193053107.db2.gz QOUFUMJXJVIBRF-GXTWGEPZSA-N 1 2 309.435 1.602 50 0 DDAALO CCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000091416570 193053108 /nfs/dbraw/zinc/05/31/08/193053108.db2.gz QOUFUMJXJVIBRF-GXTWGEPZSA-N 1 2 309.435 1.602 50 0 DDAALO CCN1CC[NH+](C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000019361270 182118415 /nfs/dbraw/zinc/11/84/15/182118415.db2.gz BUTVGCHSCQGEIQ-CQSZACIVSA-N 1 2 324.421 1.081 50 0 DDAALO CCCNC(=O)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000022759722 182333098 /nfs/dbraw/zinc/33/30/98/182333098.db2.gz GQNVEXMHOFRAFG-UHFFFAOYSA-N 1 2 302.378 1.476 50 0 DDAALO C[C@H](C(=O)NC1CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022774146 182333909 /nfs/dbraw/zinc/33/39/09/182333909.db2.gz PZSMLTCQFJOJTQ-CDVVCGDMSA-N 1 2 313.445 1.985 50 0 DDAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022774146 182333911 /nfs/dbraw/zinc/33/39/11/182333911.db2.gz PZSMLTCQFJOJTQ-CDVVCGDMSA-N 1 2 313.445 1.985 50 0 DDAALO CN1C(=O)C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000022780832 182334012 /nfs/dbraw/zinc/33/40/12/182334012.db2.gz WHINDPRULQVEQU-WHWKNOJMSA-N 1 2 313.401 1.075 50 0 DDAALO CN1C(=O)C[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1=O ZINC000022780832 182334015 /nfs/dbraw/zinc/33/40/15/182334015.db2.gz WHINDPRULQVEQU-WHWKNOJMSA-N 1 2 313.401 1.075 50 0 DDAALO Cc1noc(C)c1S(=O)(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000040512752 183088112 /nfs/dbraw/zinc/08/81/12/183088112.db2.gz PRNIRONTYOZQFV-UHFFFAOYSA-N 1 2 310.379 1.231 50 0 DDAALO COc1ccc([C@H](C)NC(=O)NCCn2cc[nH+]c2)c(OC)c1 ZINC000043311153 183354631 /nfs/dbraw/zinc/35/46/31/183354631.db2.gz IELNEFCHQYGYPN-LBPRGKRZSA-N 1 2 318.377 1.961 50 0 DDAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000044448800 183410069 /nfs/dbraw/zinc/41/00/69/183410069.db2.gz NXWRVWVKWSBMJZ-UHFFFAOYSA-N 1 2 300.362 1.644 50 0 DDAALO Cc1csc(C2=C(N)N(CCC[NH+]3CCOCC3)CC2=O)n1 ZINC000102718567 193919504 /nfs/dbraw/zinc/91/95/04/193919504.db2.gz JSFBWJZKCISKFD-UHFFFAOYSA-N 1 2 322.434 1.736 50 0 DDAALO CCOc1ncccc1CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058356074 184107682 /nfs/dbraw/zinc/10/76/82/184107682.db2.gz GYQMDSKNNRXWGR-UHFFFAOYSA-N 1 2 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C[C@H](C(=O)NC(N)=O)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095950332 407216362 /nfs/dbraw/zinc/21/63/62/407216362.db2.gz BYPYSQWZMXDZAT-LLVKDONJSA-N 1 2 324.812 1.041 50 0 DDAALO C[C@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095950332 407216365 /nfs/dbraw/zinc/21/63/65/407216365.db2.gz BYPYSQWZMXDZAT-LLVKDONJSA-N 1 2 324.812 1.041 50 0 DDAALO CCc1ccc2c(C[N@H+](C)CC(=O)N(C)C)cc(=O)oc2c1 ZINC000057896125 407218278 /nfs/dbraw/zinc/21/82/78/407218278.db2.gz HRTDKKRDUVZXIE-UHFFFAOYSA-N 1 2 302.374 1.875 50 0 DDAALO CCc1ccc2c(C[N@@H+](C)CC(=O)N(C)C)cc(=O)oc2c1 ZINC000057896125 407218280 /nfs/dbraw/zinc/21/82/80/407218280.db2.gz HRTDKKRDUVZXIE-UHFFFAOYSA-N 1 2 302.374 1.875 50 0 DDAALO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2C)[C@@H](C)C1 ZINC000095984612 407221333 /nfs/dbraw/zinc/22/13/33/407221333.db2.gz DEZNURHWANWAKA-LBPRGKRZSA-N 1 2 310.419 1.766 50 0 DDAALO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2C)[C@@H](C)C1 ZINC000095984612 407221335 /nfs/dbraw/zinc/22/13/35/407221335.db2.gz 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CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072430497 191162496 /nfs/dbraw/zinc/16/24/96/191162496.db2.gz CQJGMLSGVUFKOM-CQSZACIVSA-N 1 2 312.801 1.662 50 0 DDAALO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072430497 191162498 /nfs/dbraw/zinc/16/24/98/191162498.db2.gz CQJGMLSGVUFKOM-CQSZACIVSA-N 1 2 312.801 1.662 50 0 DDAALO CCc1nc(C)ncc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000076054692 353394769 /nfs/dbraw/zinc/39/47/69/353394769.db2.gz QKMZLACTHMDIKM-BLLLJJGKSA-N 1 2 318.421 1.140 50 0 DDAALO C[C@H]1C[C@@H]([N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)C(=O)O1 ZINC000075603309 353370378 /nfs/dbraw/zinc/37/03/78/353370378.db2.gz HQAYEMUZLCWJDD-WCQYABFASA-N 1 2 320.393 1.159 50 0 DDAALO C[C@H]1C[C@@H]([N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)C(=O)O1 ZINC000075603309 353370381 /nfs/dbraw/zinc/37/03/81/353370381.db2.gz HQAYEMUZLCWJDD-WCQYABFASA-N 1 2 320.393 1.159 50 0 DDAALO CSCC[NH+]1CCN(C(=O)c2n[nH]c(C)c2Cl)CC1 ZINC000584902269 354800816 /nfs/dbraw/zinc/80/08/16/354800816.db2.gz MPANATQICULSNI-UHFFFAOYSA-N 1 2 302.831 1.492 50 0 DDAALO O=C(CCCn1cccn1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584893401 354795494 /nfs/dbraw/zinc/79/54/94/354795494.db2.gz FQLUDBSXFGRRRU-UHFFFAOYSA-N 1 2 301.394 1.799 50 0 DDAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000065516206 295907068 /nfs/dbraw/zinc/90/70/68/295907068.db2.gz ADQCEBBBXAIJPB-WCQYABFASA-N 1 2 310.357 1.440 50 0 DDAALO Cc1nc(CCN(C)C(=O)[C@@H](c2ccccc2F)[NH+](C)C)no1 ZINC000091416698 193053178 /nfs/dbraw/zinc/05/31/78/193053178.db2.gz GYKSXVYXLRKPCV-OAHLLOKOSA-N 1 2 320.368 1.821 50 0 DDAALO OCCNc1cc(N2CCC[C@](CO)(CC3CC3)C2)nc[nH+]1 ZINC000091563290 193073584 /nfs/dbraw/zinc/07/35/84/193073584.db2.gz CEOBXBYQFFEVEB-INIZCTEOSA-N 1 2 306.410 1.260 50 0 DDAALO OCCNc1cc(N2CCC[C@](CO)(CC3CC3)C2)[nH+]cn1 ZINC000091563290 193073586 /nfs/dbraw/zinc/07/35/86/193073586.db2.gz CEOBXBYQFFEVEB-INIZCTEOSA-N 1 2 306.410 1.260 50 0 DDAALO C[NH+]1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000019789816 182149036 /nfs/dbraw/zinc/14/90/36/182149036.db2.gz UEQSRFKBWLOPFU-UHFFFAOYSA-N 1 2 319.792 1.253 50 0 DDAALO Cc1c(C)n(C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000019879261 182160001 /nfs/dbraw/zinc/16/00/01/182160001.db2.gz MDCXXVFGZPWVSQ-MRXNPFEDSA-N 1 2 301.434 1.866 50 0 DDAALO COCCNC(=S)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020028516 182181405 /nfs/dbraw/zinc/18/14/05/182181405.db2.gz YZBGGTAMRRICFM-UHFFFAOYSA-N 1 2 311.426 1.464 50 0 DDAALO O=C(Cc1ccc(Cl)cc1Cl)NCC[NH+]1CCOCC1 ZINC000020435833 182217384 /nfs/dbraw/zinc/21/73/84/182217384.db2.gz MIXUATSUYARKGM-UHFFFAOYSA-N 1 2 317.216 1.984 50 0 DDAALO O=Cc1cc(Cl)ccc1OCCOCC[NH+]1CCOCC1 ZINC000020653053 182241973 /nfs/dbraw/zinc/24/19/73/182241973.db2.gz JKAXVHMTYQADCN-UHFFFAOYSA-N 1 2 313.781 1.880 50 0 DDAALO CS(=O)(=O)CC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000021508367 182276314 /nfs/dbraw/zinc/27/63/14/182276314.db2.gz CTLBCCKXVBVYRI-JTQLQIEISA-N 1 2 315.782 1.825 50 0 DDAALO O=C(c1cnc(C2CC2)nc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000097814977 193759959 /nfs/dbraw/zinc/75/99/59/193759959.db2.gz OWEHLVGXUNPQMA-UHFFFAOYSA-N 1 2 323.400 1.707 50 0 DDAALO COc1ccc2oc(C)c(C(=O)NCC[NH+]3CCOCC3)c2c1 ZINC000039702316 183021881 /nfs/dbraw/zinc/02/18/81/183021881.db2.gz RRPYCKPJTPWQCD-UHFFFAOYSA-N 1 2 318.373 1.812 50 0 DDAALO COc1cccc(CO[C@@H](C)C(=O)NCCn2cc[nH+]c2)c1 ZINC000042847206 183314158 /nfs/dbraw/zinc/31/41/58/183314158.db2.gz GYGLWBNSOSXTMY-ZDUSSCGKSA-N 1 2 303.362 1.613 50 0 DDAALO Cc1ncc(C[N@@H+]2CCN(Cc3nccn3C)[C@@H](C)C2)s1 ZINC000106660283 194240785 /nfs/dbraw/zinc/24/07/85/194240785.db2.gz RPOSCKVNAJHEGR-LBPRGKRZSA-N 1 2 305.451 1.891 50 0 DDAALO Cc1ncc(C[N@H+]2CCN(Cc3nccn3C)[C@@H](C)C2)s1 ZINC000106660283 194240788 /nfs/dbraw/zinc/24/07/88/194240788.db2.gz RPOSCKVNAJHEGR-LBPRGKRZSA-N 1 2 305.451 1.891 50 0 DDAALO COC[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000065424140 184341723 /nfs/dbraw/zinc/34/17/23/184341723.db2.gz CWOPFLHDANANRX-BXUZGUMPSA-N 1 2 320.368 1.983 50 0 DDAALO COc1ccc(S(=O)(=O)N[C@H](C)Cn2cc[nH+]c2)cc1F ZINC000065424170 184342054 /nfs/dbraw/zinc/34/20/54/184342054.db2.gz ABYJCULMJWSUNM-SNVBAGLBSA-N 1 2 313.354 1.398 50 0 DDAALO C[C@@](O)(CNc1noc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000157707816 197210217 /nfs/dbraw/zinc/21/02/17/197210217.db2.gz FMDFZUYETOOJLC-MRXNPFEDSA-N 1 2 318.377 1.232 50 0 DDAALO CN(CCC1(O)CCCC1)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000223447218 407570158 /nfs/dbraw/zinc/57/01/58/407570158.db2.gz PWZKEQWOJCZCBK-UHFFFAOYSA-N 1 2 305.422 1.667 50 0 DDAALO CN(CCC1(O)CCCC1)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000223447218 407570165 /nfs/dbraw/zinc/57/01/65/407570165.db2.gz PWZKEQWOJCZCBK-UHFFFAOYSA-N 1 2 305.422 1.667 50 0 DDAALO CCN(Cc1ccc(O)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000069618098 406743536 /nfs/dbraw/zinc/74/35/36/406743536.db2.gz MJMFVLABLIGDLZ-UHFFFAOYSA-N 1 2 307.394 1.256 50 0 DDAALO CCc1noc(C[N@@H+]2CCCC[C@H]2Cn2nc(C)nc2C)n1 ZINC000069620741 406744769 /nfs/dbraw/zinc/74/47/69/406744769.db2.gz HCYHAEGPEZLRME-ZDUSSCGKSA-N 1 2 304.398 1.895 50 0 DDAALO CCc1noc(C[N@H+]2CCCC[C@H]2Cn2nc(C)nc2C)n1 ZINC000069620741 406744773 /nfs/dbraw/zinc/74/47/73/406744773.db2.gz HCYHAEGPEZLRME-ZDUSSCGKSA-N 1 2 304.398 1.895 50 0 DDAALO CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000069656552 406751133 /nfs/dbraw/zinc/75/11/33/406751133.db2.gz FPSGXBWKNYLTFY-HUUCEWRRSA-N 1 2 304.394 1.305 50 0 DDAALO CCn1cc[nH+]c1CN1CCCN(C(=O)c2ccncc2)CC1 ZINC000069656065 406752263 /nfs/dbraw/zinc/75/22/63/406752263.db2.gz QCCFCRSCUXIXAP-UHFFFAOYSA-N 1 2 313.405 1.646 50 0 DDAALO C[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)C(=O)O1 ZINC000069707582 406761082 /nfs/dbraw/zinc/76/10/82/406761082.db2.gz GDMMESZDUMZGSG-UKRRQHHQSA-N 1 2 308.422 1.805 50 0 DDAALO C[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)CC3CCCC3)CC2)C(=O)O1 ZINC000069707582 406761088 /nfs/dbraw/zinc/76/10/88/406761088.db2.gz GDMMESZDUMZGSG-UKRRQHHQSA-N 1 2 308.422 1.805 50 0 DDAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(O)CC3)C2=O)cc1 ZINC000002941200 406708087 /nfs/dbraw/zinc/70/80/87/406708087.db2.gz ZFTRNGGJCVJBGL-OAHLLOKOSA-N 1 2 318.373 1.174 50 0 DDAALO C[C@H]1C[N@H+](CCOCC(F)(F)F)CCN1Cc1nccn1C ZINC000069442889 406713501 /nfs/dbraw/zinc/71/35/01/406713501.db2.gz BQLYMDXUOAEQIT-LBPRGKRZSA-N 1 2 320.359 1.505 50 0 DDAALO C[C@H]1C[N@@H+](CCOCC(F)(F)F)CCN1Cc1nccn1C ZINC000069442889 406713507 /nfs/dbraw/zinc/71/35/07/406713507.db2.gz BQLYMDXUOAEQIT-LBPRGKRZSA-N 1 2 320.359 1.505 50 0 DDAALO CCCNC(=O)[C@H](C)[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000069457513 406717556 /nfs/dbraw/zinc/71/75/56/406717556.db2.gz LYXFXQJZVZJLTI-LBPRGKRZSA-N 1 2 310.467 1.484 50 0 DDAALO COc1ccc(-c2nc(C[NH+]3CCC(CO)CC3)no2)cc1 ZINC000069484538 406720849 /nfs/dbraw/zinc/72/08/49/406720849.db2.gz BIWNXMRPFPHEIV-UHFFFAOYSA-N 1 2 303.362 1.950 50 0 DDAALO CC[C@@H](O)C[NH+]1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000069902570 406789215 /nfs/dbraw/zinc/78/92/15/406789215.db2.gz YWNKKJHQLAFLAQ-GFCCVEGCSA-N 1 2 302.378 1.092 50 0 DDAALO O=C([C@@H]1CC(=O)N(CC2CC2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917391 406791679 /nfs/dbraw/zinc/79/16/79/406791679.db2.gz LXSJQYAYQGDMTO-CABCVRRESA-N 1 2 316.405 1.305 50 0 DDAALO CCCc1noc(C[N@@H+]2CCC[C@H](C(=O)c3nccn3C)C2)n1 ZINC000011753685 406830673 /nfs/dbraw/zinc/83/06/73/406830673.db2.gz RBNHHYJKKMSKIS-LBPRGKRZSA-N 1 2 317.393 1.851 50 0 DDAALO CCCc1noc(C[N@H+]2CCC[C@H](C(=O)c3nccn3C)C2)n1 ZINC000011753685 406830676 /nfs/dbraw/zinc/83/06/76/406830676.db2.gz RBNHHYJKKMSKIS-LBPRGKRZSA-N 1 2 317.393 1.851 50 0 DDAALO O=C(c1cn[nH]n1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000071819888 406846264 /nfs/dbraw/zinc/84/62/64/406846264.db2.gz UHNCBZHJEMWHOH-UHFFFAOYSA-N 1 2 317.418 1.355 50 0 DDAALO CCC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027334101 406908670 /nfs/dbraw/zinc/90/86/70/406908670.db2.gz KABFKMJFGKUVDU-CYBMUJFWSA-N 1 2 306.410 1.906 50 0 DDAALO CC[C@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000071867419 406856179 /nfs/dbraw/zinc/85/61/79/406856179.db2.gz ZIHNEIQAUUULAV-RDJZCZTQSA-N 1 2 303.450 1.932 50 0 DDAALO COCCc1noc(C[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)n1 ZINC000071871859 406857444 /nfs/dbraw/zinc/85/74/44/406857444.db2.gz PNVCFFNLUPFFSK-LLVKDONJSA-N 1 2 320.397 1.078 50 0 DDAALO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000027564741 406910944 /nfs/dbraw/zinc/91/09/44/406910944.db2.gz JYAJCQBUBFJERZ-CYBMUJFWSA-N 1 2 319.405 1.576 50 0 DDAALO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000027564741 406910948 /nfs/dbraw/zinc/91/09/48/406910948.db2.gz JYAJCQBUBFJERZ-CYBMUJFWSA-N 1 2 319.405 1.576 50 0 DDAALO CCOC[C@H](O)C[NH+]1CCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000071882005 406860960 /nfs/dbraw/zinc/86/09/60/406860960.db2.gz NCJBFKBXLWSVAM-OAHLLOKOSA-N 1 2 324.421 1.360 50 0 DDAALO Cc1cnn(CCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000072276233 406877527 /nfs/dbraw/zinc/87/75/27/406877527.db2.gz FJNZXIKDUHFBHD-AWEZNQCLSA-N 1 2 316.409 1.445 50 0 DDAALO Cc1cnn(CCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000072276233 406877529 /nfs/dbraw/zinc/87/75/29/406877529.db2.gz FJNZXIKDUHFBHD-AWEZNQCLSA-N 1 2 316.409 1.445 50 0 DDAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1=NN(C(C)C)C(=O)CC1)C2 ZINC000072271694 406877868 /nfs/dbraw/zinc/87/78/68/406877868.db2.gz BBEUHJBHAXDAIQ-GFCCVEGCSA-N 1 2 317.393 1.009 50 0 DDAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC=CCC1 ZINC000025289985 406895310 /nfs/dbraw/zinc/89/53/10/406895310.db2.gz JALHMCXLEZZLCN-HNNXBMFYSA-N 1 2 301.390 1.891 50 0 DDAALO C[C@@H]1C[NH+](CC(=O)NCC2(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000025412077 406898334 /nfs/dbraw/zinc/89/83/34/406898334.db2.gz STHWLXAACJVCKD-HUUCEWRRSA-N 1 2 302.418 1.944 50 0 DDAALO Cc1nnc(SCC(=O)N2CC[NH+](C)CC2)c2ccccc12 ZINC000028615239 406918731 /nfs/dbraw/zinc/91/87/31/406918731.db2.gz AKKHHDOJGRRZKZ-UHFFFAOYSA-N 1 2 316.430 1.804 50 0 DDAALO O[C@H](Cn1cccn1)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044975247 407037655 /nfs/dbraw/zinc/03/76/55/407037655.db2.gz PRLDDNGZFXIKJO-HOTGVXAUSA-N 1 2 305.353 1.457 50 0 DDAALO 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406785515 /nfs/dbraw/zinc/78/55/15/406785515.db2.gz ZYHXCRVIDZVZGM-HNNXBMFYSA-N 1 2 324.808 1.698 50 0 DDAALO O=C(COc1ccc(Cl)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000069893233 406785522 /nfs/dbraw/zinc/78/55/22/406785522.db2.gz ZYHXCRVIDZVZGM-HNNXBMFYSA-N 1 2 324.808 1.698 50 0 DDAALO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(Cc3ccccc3)no1)CC2 ZINC000069952241 406797178 /nfs/dbraw/zinc/79/71/78/406797178.db2.gz BDIBTHTVGKOKNU-AWEZNQCLSA-N 1 2 324.388 1.665 50 0 DDAALO COc1ccc(CCN2C[C@H]([NH2+]Cc3c[nH]cn3)CC2=O)cc1 ZINC000012302338 406839710 /nfs/dbraw/zinc/83/97/10/406839710.db2.gz VGLZEIWLKTUDDT-CQSZACIVSA-N 1 2 314.389 1.352 50 0 DDAALO Cc1ncoc1C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000011838529 406832469 /nfs/dbraw/zinc/83/24/69/406832469.db2.gz AEFYLGBJMLDCSL-GFCCVEGCSA-N 1 2 315.373 1.996 50 0 DDAALO Cc1ncoc1C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000011838529 406832476 /nfs/dbraw/zinc/83/24/76/406832476.db2.gz AEFYLGBJMLDCSL-GFCCVEGCSA-N 1 2 315.373 1.996 50 0 DDAALO COCCc1noc(C[N@@H+]2CCC[C@H]2Cn2nc(C)nc2C)n1 ZINC000071186404 406833426 /nfs/dbraw/zinc/83/34/26/406833426.db2.gz IFDGDNSIJYPUPW-ZDUSSCGKSA-N 1 2 320.397 1.131 50 0 DDAALO COCCc1noc(C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)n1 ZINC000071186404 406833429 /nfs/dbraw/zinc/83/34/29/406833429.db2.gz IFDGDNSIJYPUPW-ZDUSSCGKSA-N 1 2 320.397 1.131 50 0 DDAALO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC(C)(C)O1 ZINC000071831172 406849771 /nfs/dbraw/zinc/84/97/71/406849771.db2.gz ONNMKUPTWWTQCH-GFCCVEGCSA-N 1 2 300.362 1.907 50 0 DDAALO C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC(C)(C)O1 ZINC000071831206 406850040 /nfs/dbraw/zinc/85/00/40/406850040.db2.gz FNCSMXSRRCZIII-GFCCVEGCSA-N 1 2 300.362 1.907 50 0 DDAALO Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC000071870218 406857021 /nfs/dbraw/zinc/85/70/21/406857021.db2.gz KSSWTQSLFLKMJW-HUUCEWRRSA-N 1 2 301.394 1.949 50 0 DDAALO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cn[nH]n1 ZINC000071896674 406864160 /nfs/dbraw/zinc/86/41/60/406864160.db2.gz KVFKPECSAZNCDN-JTQLQIEISA-N 1 2 321.331 1.477 50 0 DDAALO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cn[nH]n1 ZINC000071896674 406864162 /nfs/dbraw/zinc/86/41/62/406864162.db2.gz KVFKPECSAZNCDN-JTQLQIEISA-N 1 2 321.331 1.477 50 0 DDAALO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000015028695 406879027 /nfs/dbraw/zinc/87/90/27/406879027.db2.gz LJHWPVTUEVVRID-GFCCVEGCSA-N 1 2 309.385 1.287 50 0 DDAALO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000015028695 406879028 /nfs/dbraw/zinc/87/90/28/406879028.db2.gz LJHWPVTUEVVRID-GFCCVEGCSA-N 1 2 309.385 1.287 50 0 DDAALO O=C1C[C@H]([NH2+]Cc2c[nH]cn2)CN1CCc1cccc(Cl)c1 ZINC000012316257 406840793 /nfs/dbraw/zinc/84/07/93/406840793.db2.gz PQCQHBTYJXJSQB-AWEZNQCLSA-N 1 2 318.808 1.996 50 0 DDAALO C[C@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000012383826 406843767 /nfs/dbraw/zinc/84/37/67/406843767.db2.gz GNDBNQLTECGTLP-ZDUSSCGKSA-N 1 2 300.362 1.267 50 0 DDAALO O=C(c1n[nH]c2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028694063 406918709 /nfs/dbraw/zinc/91/87/09/406918709.db2.gz NOLZLDUCALGJQF-UHFFFAOYSA-N 1 2 321.384 1.916 50 0 DDAALO CCOc1cc(C)c(C)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000030768723 406934288 /nfs/dbraw/zinc/93/42/88/406934288.db2.gz KIHMLKDWNYLFSF-UHFFFAOYSA-N 1 2 312.435 1.638 50 0 DDAALO C[C@H](C(=O)NCC[NH+]1CCOCC1)n1cnc2ccccc21 ZINC000031814767 406942734 /nfs/dbraw/zinc/94/27/34/406942734.db2.gz AQRGZGWHCOCNTC-CYBMUJFWSA-N 1 2 302.378 1.046 50 0 DDAALO C[C@H]1CN(C(=O)CO[C@H]2CCCC[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000076054331 406951824 /nfs/dbraw/zinc/95/18/24/406951824.db2.gz HYROCSDPMPHOBT-TWMKSMIVSA-N 1 2 324.465 1.761 50 0 DDAALO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000076047326 406951873 /nfs/dbraw/zinc/95/18/73/406951873.db2.gz MMDOLZOGWMJMCX-GFCCVEGCSA-N 1 2 318.381 1.345 50 0 DDAALO Cc1nc(CN(C)[C@@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000076047326 406951875 /nfs/dbraw/zinc/95/18/75/406951875.db2.gz MMDOLZOGWMJMCX-GFCCVEGCSA-N 1 2 318.381 1.345 50 0 DDAALO Cc1cccc(O[C@H](C)CNC(=O)NCc2[nH+]ccn2C)c1 ZINC000076088178 406954545 /nfs/dbraw/zinc/95/45/45/406954545.db2.gz PZXQFTAXCXCPGY-CYBMUJFWSA-N 1 2 302.378 1.995 50 0 DDAALO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000045915276 407051087 /nfs/dbraw/zinc/05/10/87/407051087.db2.gz ILAQYBJGZPRNDN-ZDUSSCGKSA-N 1 2 301.394 1.906 50 0 DDAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000044871330 407031137 /nfs/dbraw/zinc/03/11/37/407031137.db2.gz CGCDHPPKSVDQFO-CZUORRHYSA-N 1 2 317.433 1.766 50 0 DDAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000044871330 407031140 /nfs/dbraw/zinc/03/11/40/407031140.db2.gz CGCDHPPKSVDQFO-CZUORRHYSA-N 1 2 317.433 1.766 50 0 DDAALO Cc1nc(CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cs1 ZINC000044953647 407035326 /nfs/dbraw/zinc/03/53/26/407035326.db2.gz QZLJGINOAVPMLI-NSHDSACASA-N 1 2 312.439 1.014 50 0 DDAALO COCCN1C[C@]2(CCC[N@H+](Cc3nnc(C)o3)C2)CCC1=O ZINC000077387398 406989122 /nfs/dbraw/zinc/98/91/22/406989122.db2.gz KXSCQAHMCGFNEB-MRXNPFEDSA-N 1 2 322.409 1.229 50 0 DDAALO COCCN1C[C@]2(CCC[N@@H+](Cc3nnc(C)o3)C2)CCC1=O ZINC000077387398 406989123 /nfs/dbraw/zinc/98/91/23/406989123.db2.gz KXSCQAHMCGFNEB-MRXNPFEDSA-N 1 2 322.409 1.229 50 0 DDAALO COC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077471724 406992028 /nfs/dbraw/zinc/99/20/28/406992028.db2.gz KYTWZIWIDXATFB-UHFFFAOYSA-N 1 2 321.425 1.747 50 0 DDAALO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)n2ncnc2n1 ZINC000040490266 407002646 /nfs/dbraw/zinc/00/26/46/407002646.db2.gz IDORHWDOLBHUSL-UHFFFAOYSA-N 1 2 311.349 1.408 50 0 DDAALO CCCOC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1 ZINC000054961279 407191609 /nfs/dbraw/zinc/19/16/09/407191609.db2.gz CZJIGNZLOLBGCB-HNNXBMFYSA-N 1 2 304.390 1.639 50 0 DDAALO CCCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1 ZINC000054961279 407191611 /nfs/dbraw/zinc/19/16/11/407191611.db2.gz CZJIGNZLOLBGCB-HNNXBMFYSA-N 1 2 304.390 1.639 50 0 DDAALO CN(CC1CC1)C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000051154349 407135624 /nfs/dbraw/zinc/13/56/24/407135624.db2.gz WPYLLGOCNRZQKP-UHFFFAOYSA-N 1 2 303.406 1.383 50 0 DDAALO CCn1cnnc1CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051334102 407139061 /nfs/dbraw/zinc/13/90/61/407139061.db2.gz JPNARUGXGUIYHU-UHFFFAOYSA-N 1 2 318.381 1.318 50 0 DDAALO O=C(c1cc[nH]n1)N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000089834988 407153634 /nfs/dbraw/zinc/15/36/34/407153634.db2.gz GJBMELOEKYJHOB-HOTGVXAUSA-N 1 2 312.373 1.135 50 0 DDAALO O=C(c1cc[nH]n1)N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000089834988 407153635 /nfs/dbraw/zinc/15/36/35/407153635.db2.gz GJBMELOEKYJHOB-HOTGVXAUSA-N 1 2 312.373 1.135 50 0 DDAALO O=C(c1ccn[nH]1)N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000089834988 407153636 /nfs/dbraw/zinc/15/36/36/407153636.db2.gz GJBMELOEKYJHOB-HOTGVXAUSA-N 1 2 312.373 1.135 50 0 DDAALO O=C(c1ccn[nH]1)N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000089834988 407153637 /nfs/dbraw/zinc/15/36/37/407153637.db2.gz GJBMELOEKYJHOB-HOTGVXAUSA-N 1 2 312.373 1.135 50 0 DDAALO Cc1csc(N2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)n1 ZINC000052641656 407155545 /nfs/dbraw/zinc/15/55/45/407155545.db2.gz IGTOQRKWXUZQRD-LBPRGKRZSA-N 1 2 305.407 1.558 50 0 DDAALO C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(N)=O)c1cccc2ccccc21 ZINC000052831287 407157773 /nfs/dbraw/zinc/15/77/73/407157773.db2.gz YVRZGMKJXMJMOV-STQMWFEESA-N 1 2 313.401 1.823 50 0 DDAALO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(N)=O)c1cccc2ccccc21 ZINC000052831287 407157775 /nfs/dbraw/zinc/15/77/75/407157775.db2.gz YVRZGMKJXMJMOV-STQMWFEESA-N 1 2 313.401 1.823 50 0 DDAALO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2scnc2C)C1 ZINC000066563079 407254019 /nfs/dbraw/zinc/25/40/19/407254019.db2.gz MFHSLOJHUFIUGR-ZDUSSCGKSA-N 1 2 324.450 1.010 50 0 DDAALO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)Cc2scnc2C)C1 ZINC000066563079 407254022 /nfs/dbraw/zinc/25/40/22/407254022.db2.gz MFHSLOJHUFIUGR-ZDUSSCGKSA-N 1 2 324.450 1.010 50 0 DDAALO C[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)c1n[nH]c(=O)c2ccccc21 ZINC000095388092 407213232 /nfs/dbraw/zinc/21/32/32/407213232.db2.gz DFAYXMVPANAOIA-JTQLQIEISA-N 1 2 323.356 1.335 50 0 DDAALO C[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)c1n[nH]c(=O)c2ccccc21 ZINC000095388092 407213233 /nfs/dbraw/zinc/21/32/33/407213233.db2.gz DFAYXMVPANAOIA-JTQLQIEISA-N 1 2 323.356 1.335 50 0 DDAALO O=C1CCC(=O)N1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000065370355 407243658 /nfs/dbraw/zinc/24/36/58/407243658.db2.gz GFKNIHDEPJLSAD-UHFFFAOYSA-N 1 2 317.393 1.418 50 0 DDAALO O=C1CCC(=O)N1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000065370355 407243659 /nfs/dbraw/zinc/24/36/59/407243659.db2.gz GFKNIHDEPJLSAD-UHFFFAOYSA-N 1 2 317.393 1.418 50 0 DDAALO COc1ccccc1C1=NO[C@@](C)(C(=O)N2CC[NH+](C)CC2)C1 ZINC000096193096 407246672 /nfs/dbraw/zinc/24/66/72/407246672.db2.gz QTSVWIZOBVBUQA-QGZVFWFLSA-N 1 2 317.389 1.352 50 0 DDAALO CC(C)(C)SCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000096431545 407265876 /nfs/dbraw/zinc/26/58/76/407265876.db2.gz VVPHHBPRQLPBPU-CYBMUJFWSA-N 1 2 300.468 1.841 50 0 DDAALO 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C[C@@H](CNC(=O)NC1Cc2ccccc2C1)[N@H+]1CCOC[C@H]1C ZINC000097140220 407282463 /nfs/dbraw/zinc/28/24/63/407282463.db2.gz DPUBASBGPKVMSM-UONOGXRCSA-N 1 2 317.433 1.562 50 0 DDAALO CCOc1ncccc1C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000097198801 407285727 /nfs/dbraw/zinc/28/57/27/407285727.db2.gz BIFMSTIJSGCGAK-GFCCVEGCSA-N 1 2 300.362 1.730 50 0 DDAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 ZINC000097198124 407285889 /nfs/dbraw/zinc/28/58/89/407285889.db2.gz OVXFGIPAYLIZMN-CYBMUJFWSA-N 1 2 324.388 1.526 50 0 DDAALO CC(C)c1ncc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000097572275 407299798 /nfs/dbraw/zinc/29/97/98/407299798.db2.gz URLLMQGXKLBTDR-UHFFFAOYSA-N 1 2 306.410 1.441 50 0 DDAALO CN(Cc1nccs1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128824973 407574348 /nfs/dbraw/zinc/57/43/48/407574348.db2.gz HOWQTIKAHLZGHA-LBPRGKRZSA-N 1 2 317.418 1.958 50 0 DDAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000218975887 407525143 /nfs/dbraw/zinc/52/51/43/407525143.db2.gz 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/nfs/dbraw/zinc/91/26/05/407912605.db2.gz QMTIRNBSUMBDDB-LBPRGKRZSA-N 1 2 303.424 1.277 50 0 DDAALO COc1cccc(N2CC[N@H+](C[C@H]3CCCOC3)CC2=O)c1 ZINC000244787707 407938673 /nfs/dbraw/zinc/93/86/73/407938673.db2.gz QCCIUAVKZHISEC-CQSZACIVSA-N 1 2 304.390 1.770 50 0 DDAALO COc1cccc(N2CC[N@@H+](C[C@H]3CCCOC3)CC2=O)c1 ZINC000244787707 407938679 /nfs/dbraw/zinc/93/86/79/407938679.db2.gz QCCIUAVKZHISEC-CQSZACIVSA-N 1 2 304.390 1.770 50 0 DDAALO CC(C)c1nnsc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000244852706 407941285 /nfs/dbraw/zinc/94/12/85/407941285.db2.gz UXEWQFFDMSALHP-UHFFFAOYSA-N 1 2 318.468 1.129 50 0 DDAALO CC(C)c1nnsc1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000244852706 407941289 /nfs/dbraw/zinc/94/12/89/407941289.db2.gz UXEWQFFDMSALHP-UHFFFAOYSA-N 1 2 318.468 1.129 50 0 DDAALO Cc1noc([C@@H]2CCCC[N@H+]2CCCS(=O)(=O)N(C)C)n1 ZINC000244899817 407943930 /nfs/dbraw/zinc/94/39/30/407943930.db2.gz ZQWWSFRFQUCTJO-LBPRGKRZSA-N 1 2 316.427 1.187 50 0 DDAALO Cc1noc([C@@H]2CCCC[N@@H+]2CCCS(=O)(=O)N(C)C)n1 ZINC000244899817 407943935 /nfs/dbraw/zinc/94/39/35/407943935.db2.gz ZQWWSFRFQUCTJO-LBPRGKRZSA-N 1 2 316.427 1.187 50 0 DDAALO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2noc(COC)n2)C1 ZINC000252509829 408801916 /nfs/dbraw/zinc/80/19/16/408801916.db2.gz YWKWUACUMKLNNB-LBPRGKRZSA-N 1 2 310.398 1.296 50 0 DDAALO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2noc(COC)n2)C1 ZINC000252509829 408801919 /nfs/dbraw/zinc/80/19/19/408801919.db2.gz YWKWUACUMKLNNB-LBPRGKRZSA-N 1 2 310.398 1.296 50 0 DDAALO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(C2CC2)on1 ZINC000252549461 408804745 /nfs/dbraw/zinc/80/47/45/408804745.db2.gz RGIKIYFUEHCCLP-ZFWWWQNUSA-N 1 2 319.405 1.925 50 0 DDAALO C[C@H](CC(=O)N1CCN(C2CCCC2)C(=O)C1)n1cc[nH+]c1 ZINC000299780650 410625459 /nfs/dbraw/zinc/62/54/59/410625459.db2.gz AVQBURAQQLXQPI-CYBMUJFWSA-N 1 2 304.394 1.448 50 0 DDAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2ccccc2)n1 ZINC000044943444 418433623 /nfs/dbraw/zinc/43/36/23/418433623.db2.gz CFAFYZYMVZALSX-AWEZNQCLSA-N 1 2 314.389 1.323 50 0 DDAALO C[C@@H](O)C(=O)N1CCN(c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC000408518736 418806934 /nfs/dbraw/zinc/80/69/34/418806934.db2.gz XHAHNCFOOBLIRV-CQSZACIVSA-N 1 2 311.385 1.778 50 0 DDAALO COc1ncc(C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)s1 ZINC000585117448 422307273 /nfs/dbraw/zinc/30/72/73/422307273.db2.gz DLVGGTNGXLEEJD-NSHDSACASA-N 1 2 309.395 1.332 50 0 DDAALO COc1ncc(C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)s1 ZINC000585117448 422307276 /nfs/dbraw/zinc/30/72/76/422307276.db2.gz DLVGGTNGXLEEJD-NSHDSACASA-N 1 2 309.395 1.332 50 0 DDAALO OC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H](O)c1ccc(Cl)cc1 ZINC000585132702 422311254 /nfs/dbraw/zinc/31/12/54/422311254.db2.gz NKRFPBCPNFQXTP-HIFRSBDPSA-N 1 2 319.792 2.514 50 0 DDAALO NC(=O)C[N@@H+](Cc1cccc2c1OCCCO2)C[C@@H]1CCCO1 ZINC000048276976 303249685 /nfs/dbraw/zinc/24/96/85/303249685.db2.gz MSWPBIVZSDEFRX-AWEZNQCLSA-N 1 2 320.389 1.314 50 0 DDAALO NC(=O)C[N@H+](Cc1cccc2c1OCCCO2)C[C@@H]1CCCO1 ZINC000048276976 303249688 /nfs/dbraw/zinc/24/96/88/303249688.db2.gz MSWPBIVZSDEFRX-AWEZNQCLSA-N 1 2 320.389 1.314 50 0 DDAALO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3nnc(C)s3)C2)n[nH]1 ZINC000084111099 483988442 /nfs/dbraw/zinc/98/84/42/483988442.db2.gz AFIUYIOJZMXLAN-NSHDSACASA-N 1 2 320.422 1.696 50 0 DDAALO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3nnc(C)s3)C2)n[nH]1 ZINC000084111099 483988453 /nfs/dbraw/zinc/98/84/53/483988453.db2.gz AFIUYIOJZMXLAN-NSHDSACASA-N 1 2 320.422 1.696 50 0 DDAALO Cc1cc([C@H]2CCC[N@@H+](CC(=O)Nc3nnc(C)s3)C2)[nH]n1 ZINC000084111099 483988460 /nfs/dbraw/zinc/98/84/60/483988460.db2.gz AFIUYIOJZMXLAN-NSHDSACASA-N 1 2 320.422 1.696 50 0 DDAALO Cc1cc([C@H]2CCC[N@H+](CC(=O)Nc3nnc(C)s3)C2)[nH]n1 ZINC000084111099 483988464 /nfs/dbraw/zinc/98/84/64/483988464.db2.gz AFIUYIOJZMXLAN-NSHDSACASA-N 1 2 320.422 1.696 50 0 DDAALO COc1cccc(CN2CCC[C@H]([NH+]3CCOCC3)C2=O)c1 ZINC000075876412 490590485 /nfs/dbraw/zinc/59/04/85/490590485.db2.gz XUZIHLCKBNPOMJ-INIZCTEOSA-N 1 2 304.390 1.518 50 0 DDAALO O[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@H]1N1CCOCC1 ZINC000015065347 696057066 /nfs/dbraw/zinc/05/70/66/696057066.db2.gz WVRZZNLCOVEJCN-HZPDHXFCSA-N 1 2 312.360 1.232 50 0 DDAALO O[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1N1CCOCC1 ZINC000015065347 696057068 /nfs/dbraw/zinc/05/70/68/696057068.db2.gz WVRZZNLCOVEJCN-HZPDHXFCSA-N 1 2 312.360 1.232 50 0 DDAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)C3(C)CC3)C2)CC1 ZINC000055072820 696281585 /nfs/dbraw/zinc/28/15/85/696281585.db2.gz DIMJQFHBOYKXJB-AWEZNQCLSA-N 1 2 323.437 1.552 50 0 DDAALO Cc1noc(C)c1C[N@@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000078893865 185123756 /nfs/dbraw/zinc/12/37/56/185123756.db2.gz HRWLDHFUDXUBFK-CYBMUJFWSA-N 1 2 303.366 1.394 50 0 DDAALO Cc1noc(C)c1C[N@H+]1CCO[C@H](CNc2cccnn2)C1 ZINC000078893865 185123757 /nfs/dbraw/zinc/12/37/57/185123757.db2.gz HRWLDHFUDXUBFK-CYBMUJFWSA-N 1 2 303.366 1.394 50 0 DDAALO O=C(NC1Cc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186678665 539247926 /nfs/dbraw/zinc/24/79/26/539247926.db2.gz LKFXBSKGQPRFRZ-KRWDZBQOSA-N 1 2 315.417 1.270 50 0 DDAALO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)N1CCCCCC1)C2 ZINC000090168903 185284477 /nfs/dbraw/zinc/28/44/77/185284477.db2.gz PSOCGQDETQQYMY-CYBMUJFWSA-N 1 2 312.439 1.217 50 0 DDAALO CCn1cc(C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000329306730 539302957 /nfs/dbraw/zinc/30/29/57/539302957.db2.gz YVVPWVVXNGJPQF-UHFFFAOYSA-N 1 2 301.394 1.965 50 0 DDAALO CCn1cc(C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000329306730 539302958 /nfs/dbraw/zinc/30/29/58/539302958.db2.gz YVVPWVVXNGJPQF-UHFFFAOYSA-N 1 2 301.394 1.965 50 0 DDAALO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1(O)CCCC1 ZINC000096999413 185395804 /nfs/dbraw/zinc/39/58/04/185395804.db2.gz HFOOEMNNXHNDGE-MRXNPFEDSA-N 1 2 318.417 1.481 50 0 DDAALO Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685941612 539565589 /nfs/dbraw/zinc/56/55/89/539565589.db2.gz ZQBXRQQPURHVNX-LRDDRELGSA-N 1 2 314.393 1.629 50 0 DDAALO Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685941612 539565593 /nfs/dbraw/zinc/56/55/93/539565593.db2.gz ZQBXRQQPURHVNX-LRDDRELGSA-N 1 2 314.393 1.629 50 0 DDAALO Nc1cc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000071760779 191025498 /nfs/dbraw/zinc/02/54/98/191025498.db2.gz ILRXLIGYQYLVMZ-KPWCQOOUSA-N 1 2 315.421 1.378 50 0 DDAALO Nc1cc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)[nH+]c(N2CCOCC2)n1 ZINC000071760779 191025500 /nfs/dbraw/zinc/02/55/00/191025500.db2.gz ILRXLIGYQYLVMZ-KPWCQOOUSA-N 1 2 315.421 1.378 50 0 DDAALO CC[C@@H](C(=O)N1CCn2c[nH+]cc2C1)N1Cc2ccccc2C1=O ZINC000072164037 191063752 /nfs/dbraw/zinc/06/37/52/191063752.db2.gz LOXOHFYNHNQGAC-INIZCTEOSA-N 1 2 324.384 1.660 50 0 DDAALO CC[C@@]1(O)CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1O ZINC000072473306 191175713 /nfs/dbraw/zinc/17/57/13/191175713.db2.gz WJGKGQBVRIHJFE-CZUORRHYSA-N 1 2 321.352 1.583 50 0 DDAALO CC[C@@]1(O)CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1O ZINC000072473306 191175716 /nfs/dbraw/zinc/17/57/16/191175716.db2.gz WJGKGQBVRIHJFE-CZUORRHYSA-N 1 2 321.352 1.583 50 0 DDAALO CN(C[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1)c1cccnn1 ZINC000083859290 353714840 /nfs/dbraw/zinc/71/48/40/353714840.db2.gz SYPWOXJZJDCZCO-MRXNPFEDSA-N 1 2 316.380 1.953 50 0 DDAALO CN(C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1)c1cccnn1 ZINC000083859290 353714844 /nfs/dbraw/zinc/71/48/44/353714844.db2.gz SYPWOXJZJDCZCO-MRXNPFEDSA-N 1 2 316.380 1.953 50 0 DDAALO CCc1cnc(C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1 ZINC000083827864 353715124 /nfs/dbraw/zinc/71/51/24/353715124.db2.gz FBJKGERZXWLXPV-HNNXBMFYSA-N 1 2 306.366 1.142 50 0 DDAALO CCc1cnc(C[N@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)o1 ZINC000083827864 353715128 /nfs/dbraw/zinc/71/51/28/353715128.db2.gz FBJKGERZXWLXPV-HNNXBMFYSA-N 1 2 306.366 1.142 50 0 DDAALO C[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1nnc2n1CCCC2 ZINC000089913871 353782017 /nfs/dbraw/zinc/78/20/17/353782017.db2.gz LJZQUZXPVVWJKW-JTQLQIEISA-N 1 2 306.439 1.988 50 0 DDAALO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1 ZINC000221794247 354314656 /nfs/dbraw/zinc/31/46/56/354314656.db2.gz ZYDUPLOIUKXYNH-RTXFEEFZSA-N 1 2 320.393 1.157 50 0 DDAALO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1 ZINC000221794247 354314659 /nfs/dbraw/zinc/31/46/59/354314659.db2.gz ZYDUPLOIUKXYNH-RTXFEEFZSA-N 1 2 320.393 1.157 50 0 DDAALO CC(=O)c1c(C)nn(CC(=O)NCc2c[nH+]cn2C2CC2)c1C ZINC000584888845 354791605 /nfs/dbraw/zinc/79/16/05/354791605.db2.gz QAKDLXNNKQBMDV-UHFFFAOYSA-N 1 2 315.377 1.550 50 0 DDAALO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C(=O)NC[C@@H]1C(C)(C)C ZINC000585149608 354816105 /nfs/dbraw/zinc/81/61/05/354816105.db2.gz JKUUXQQYBCOKFK-QWHCGFSZSA-N 1 2 318.421 1.172 50 0 DDAALO c1cc(-c2nnc(C[NH2+]C3CSCCSC3)[nH]2)ccn1 ZINC000584893882 354795498 /nfs/dbraw/zinc/79/54/98/354795498.db2.gz WZOMVXKKWMSDFS-UHFFFAOYSA-N 1 2 307.448 1.805 50 0 DDAALO c1cc(-c2n[nH]c(C[NH2+]C3CSCCSC3)n2)ccn1 ZINC000584893882 354795502 /nfs/dbraw/zinc/79/55/02/354795502.db2.gz WZOMVXKKWMSDFS-UHFFFAOYSA-N 1 2 307.448 1.805 50 0 DDAALO Cc1noc(CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000590168836 355056142 /nfs/dbraw/zinc/05/61/42/355056142.db2.gz XSFBMBDFBJZAQK-LLVKDONJSA-N 1 2 304.354 1.233 50 0 DDAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)NCC(F)(F)F ZINC000005185633 181214627 /nfs/dbraw/zinc/21/46/27/181214627.db2.gz LXHMJWPLIBKDMA-UHFFFAOYSA-N 1 2 316.283 1.119 50 0 DDAALO C[N@@H+]1CCc2c3c(N)n[nH]c3nc(NC[C@@H]3CCCO3)c2C1 ZINC000005207991 181217143 /nfs/dbraw/zinc/21/71/43/181217143.db2.gz NRLYRJOPULKSPR-VIFPVBQESA-N 1 2 302.382 1.119 50 0 DDAALO C[N@H+]1CCc2c3c(N)n[nH]c3nc(NC[C@@H]3CCCO3)c2C1 ZINC000005207991 181217145 /nfs/dbraw/zinc/21/71/45/181217145.db2.gz NRLYRJOPULKSPR-VIFPVBQESA-N 1 2 302.382 1.119 50 0 DDAALO CNC(=O)C[NH+](CCc1ccc(C(C)(C)C)cc1)CC(=O)NC ZINC000031476361 283313480 /nfs/dbraw/zinc/31/34/80/283313480.db2.gz JJVOIRDHYHZKBA-UHFFFAOYSA-N 1 2 319.449 1.321 50 0 DDAALO O=C1[C@H]2CC[C@H](CN(Cc3[nH]cc[nH+]3)C2)N1Cc1cscn1 ZINC000091380827 193048535 /nfs/dbraw/zinc/04/85/35/193048535.db2.gz 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ZINC000823116398 758268355 /nfs/dbraw/zinc/26/83/55/758268355.db2.gz YGJCKSWNRDWHRU-UHFFFAOYSA-N 1 2 319.384 1.660 50 0 DDAALO CCn1nc(-c2ccco2)nc1C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000823599667 758327422 /nfs/dbraw/zinc/32/74/22/758327422.db2.gz GNFTVGATNBTEAW-GFCCVEGCSA-N 1 2 317.393 1.309 50 0 DDAALO CCn1nc(-c2ccco2)nc1C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000823599667 758327435 /nfs/dbraw/zinc/32/74/35/758327435.db2.gz GNFTVGATNBTEAW-GFCCVEGCSA-N 1 2 317.393 1.309 50 0 DDAALO COc1ccc(-n2ncnc2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000824698937 759196866 /nfs/dbraw/zinc/19/68/66/759196866.db2.gz RVDNTTGJXZNVAR-CYBMUJFWSA-N 1 2 302.378 1.539 50 0 DDAALO O=C1OC[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)s3)CCN12 ZINC000828322978 759614833 /nfs/dbraw/zinc/61/48/33/759614833.db2.gz ZSCGQWQRURKFSM-SNVBAGLBSA-N 1 2 304.375 1.775 50 0 DDAALO O=C1OC[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)CCN12 ZINC000828322978 759614836 /nfs/dbraw/zinc/61/48/36/759614836.db2.gz ZSCGQWQRURKFSM-SNVBAGLBSA-N 1 2 304.375 1.775 50 0 DDAALO CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245167 539032727 /nfs/dbraw/zinc/03/27/27/539032727.db2.gz ANXYWLQMXXUPDZ-GFCCVEGCSA-N 1 2 303.410 1.794 50 0 DDAALO CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245167 539032728 /nfs/dbraw/zinc/03/27/28/539032728.db2.gz ANXYWLQMXXUPDZ-GFCCVEGCSA-N 1 2 303.410 1.794 50 0 DDAALO CN(CC1CCC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000095395137 185352481 /nfs/dbraw/zinc/35/24/81/185352481.db2.gz SSROHRNQSOPRMJ-UHFFFAOYSA-N 1 2 318.421 1.860 50 0 DDAALO CCC[C@H]1C[N@H+](Cc2cnn(C)c2)CCN1Cc1cnn(C)c1 ZINC000097014736 185397203 /nfs/dbraw/zinc/39/72/03/185397203.db2.gz XEZRXXHRNGWWPV-KRWDZBQOSA-N 1 2 316.453 1.640 50 0 DDAALO CCC[C@H]1C[N@@H+](Cc2cnn(C)c2)CCN1Cc1cnn(C)c1 ZINC000097014736 185397204 /nfs/dbraw/zinc/39/72/04/185397204.db2.gz XEZRXXHRNGWWPV-KRWDZBQOSA-N 1 2 316.453 1.640 50 0 DDAALO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000083888487 192389135 /nfs/dbraw/zinc/38/91/35/192389135.db2.gz 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191157024 /nfs/dbraw/zinc/15/70/24/191157024.db2.gz BRFBZZNBCSJDIC-OAHLLOKOSA-N 1 2 323.462 1.148 50 0 DDAALO CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ncnn3CC)CC[C@H]21 ZINC000072477885 191179472 /nfs/dbraw/zinc/17/94/72/191179472.db2.gz ZQBRYTTXCBOTPW-UONOGXRCSA-N 1 2 305.426 1.521 50 0 DDAALO CCCN1C(=O)CC[C@H]2C[N@H+](Cc3ncnn3CC)CC[C@H]21 ZINC000072477885 191179474 /nfs/dbraw/zinc/17/94/74/191179474.db2.gz ZQBRYTTXCBOTPW-UONOGXRCSA-N 1 2 305.426 1.521 50 0 DDAALO CN(C[C@@H]1C[N@H+](CCc2ccccn2)CCO1)c1cccnn1 ZINC000083859270 353714762 /nfs/dbraw/zinc/71/47/62/353714762.db2.gz BNLYFDOEPCZYHD-MRXNPFEDSA-N 1 2 313.405 1.251 50 0 DDAALO CN(C[C@@H]1C[N@@H+](CCc2ccccn2)CCO1)c1cccnn1 ZINC000083859270 353714765 /nfs/dbraw/zinc/71/47/65/353714765.db2.gz BNLYFDOEPCZYHD-MRXNPFEDSA-N 1 2 313.405 1.251 50 0 DDAALO CCO[C@H](C)C(=O)N(C[C@@H]1C[N@H+](C)CCO1)c1nccs1 ZINC000095402122 353912820 /nfs/dbraw/zinc/91/28/20/353912820.db2.gz WGONJPLRKVBTLO-NEPJUHHUSA-N 1 2 313.423 1.232 50 0 DDAALO CCO[C@H](C)C(=O)N(C[C@@H]1C[N@@H+](C)CCO1)c1nccs1 ZINC000095402122 353912824 /nfs/dbraw/zinc/91/28/24/353912824.db2.gz WGONJPLRKVBTLO-NEPJUHHUSA-N 1 2 313.423 1.232 50 0 DDAALO O=C(NCc1ccco1)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000390829104 354641833 /nfs/dbraw/zinc/64/18/33/354641833.db2.gz WRZSERHBQGJUBC-UHFFFAOYSA-N 1 2 324.344 1.008 50 0 DDAALO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000012557604 290498862 /nfs/dbraw/zinc/49/88/62/290498862.db2.gz FITXXAKSHCHNGJ-WFASDCNBSA-N 1 2 312.373 1.605 50 0 DDAALO CC(C)c1noc([C@H]2CCC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000091585976 193075972 /nfs/dbraw/zinc/07/59/72/193075972.db2.gz QBZCBSVYRQNDKK-ZDUSSCGKSA-N 1 2 322.409 1.231 50 0 DDAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000091770180 193104619 /nfs/dbraw/zinc/10/46/19/193104619.db2.gz MUEYVARMPFXZGS-CYBMUJFWSA-N 1 2 318.377 1.846 50 0 DDAALO O=S(=O)(CCCN1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000097201138 193688050 /nfs/dbraw/zinc/68/80/50/193688050.db2.gz BFRHXWGEARDNDQ-UHFFFAOYSA-N 1 2 305.403 1.563 50 0 DDAALO CSc1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)cc1 ZINC000019789993 182148802 /nfs/dbraw/zinc/14/88/02/182148802.db2.gz ZPFIGRLBEWAISB-UHFFFAOYSA-N 1 2 300.449 1.486 50 0 DDAALO Cc1ccccc1N1C(=O)C(Cl)=C(N2CC[NH+](C)CC2)C1=O ZINC000019789815 182149434 /nfs/dbraw/zinc/14/94/34/182149434.db2.gz UHEYVMPSDMHSOL-UHFFFAOYSA-N 1 2 319.792 1.566 50 0 DDAALO Cc1[nH+]c(-c2ccccc2)[nH]c1CN1CCS(=O)(=O)CC1 ZINC000020119287 182189424 /nfs/dbraw/zinc/18/94/24/182189424.db2.gz QGAMDYCJSLQCBM-UHFFFAOYSA-N 1 2 305.403 1.616 50 0 DDAALO COc1cccc(-c2noc(NCC[NH+]3CCOCC3)n2)c1 ZINC000021631183 182281591 /nfs/dbraw/zinc/28/15/91/182281591.db2.gz KFTLKFLDDQJHRW-UHFFFAOYSA-N 1 2 304.350 1.489 50 0 DDAALO COc1cccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000022591011 182327589 /nfs/dbraw/zinc/32/75/89/182327589.db2.gz WINLXILPGIJZSM-CQSZACIVSA-N 1 2 317.433 1.480 50 0 DDAALO COc1cccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000022591011 182327591 /nfs/dbraw/zinc/32/75/91/182327591.db2.gz WINLXILPGIJZSM-CQSZACIVSA-N 1 2 317.433 1.480 50 0 DDAALO CCCn1nc(C(=O)NCc2cc[nH+]c(N(C)C)c2)ccc1=O ZINC000040512588 183088419 /nfs/dbraw/zinc/08/84/19/183088419.db2.gz UQCFKMWWGIQAAN-UHFFFAOYSA-N 1 2 315.377 1.044 50 0 DDAALO C[C@H](O)CNC(=O)C1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000040540730 183096832 /nfs/dbraw/zinc/09/68/32/183096832.db2.gz MTVNVJWLTRSXHF-NSHDSACASA-N 1 2 324.425 1.076 50 0 DDAALO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)c1ccccc1Cl ZINC000042153091 183235444 /nfs/dbraw/zinc/23/54/44/183235444.db2.gz GDYGDVUQNDCHCW-CQSZACIVSA-N 1 2 314.813 1.410 50 0 DDAALO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)c1ccccc1Cl ZINC000042153091 183235446 /nfs/dbraw/zinc/23/54/46/183235446.db2.gz GDYGDVUQNDCHCW-CQSZACIVSA-N 1 2 314.813 1.410 50 0 DDAALO Cc1ccc(N2C[C@@H](C(=O)NCCn3cc[nH+]c3)CC2=O)cc1 ZINC000043945980 183390792 /nfs/dbraw/zinc/39/07/92/183390792.db2.gz HLPOIRRXCQOGPK-AWEZNQCLSA-N 1 2 312.373 1.361 50 0 DDAALO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000106049640 194182398 /nfs/dbraw/zinc/18/23/98/194182398.db2.gz LHSVOHWKTNZZOE-WOSRLPQWSA-N 1 2 307.390 1.738 50 0 DDAALO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000106049640 194182399 /nfs/dbraw/zinc/18/23/99/194182399.db2.gz LHSVOHWKTNZZOE-WOSRLPQWSA-N 1 2 307.390 1.738 50 0 DDAALO Cn1cc(-c2noc([C@@H]3COCC[N@@H+]3C3CCCC3)n2)cn1 ZINC000285261958 218356402 /nfs/dbraw/zinc/35/64/02/218356402.db2.gz HIJVKPNJUBRBHN-ZDUSSCGKSA-N 1 2 303.366 1.786 50 0 DDAALO Cn1cc(-c2noc([C@@H]3COCC[N@H+]3C3CCCC3)n2)cn1 ZINC000285261958 218356404 /nfs/dbraw/zinc/35/64/04/218356404.db2.gz HIJVKPNJUBRBHN-ZDUSSCGKSA-N 1 2 303.366 1.786 50 0 DDAALO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ncn1 ZINC000110682210 194348992 /nfs/dbraw/zinc/34/89/92/194348992.db2.gz YJPALZYTTKSSMD-SJORKVTESA-N 1 2 310.401 1.875 50 0 DDAALO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ncn1 ZINC000110682210 194348994 /nfs/dbraw/zinc/34/89/94/194348994.db2.gz YJPALZYTTKSSMD-SJORKVTESA-N 1 2 310.401 1.875 50 0 DDAALO COc1ccc([C@@H]2CC[N@H+](Cn3nc4ccccn4c3=O)C2)cc1 ZINC000058267716 184098008 /nfs/dbraw/zinc/09/80/08/184098008.db2.gz HSRVLKVZBGCZFC-OAHLLOKOSA-N 1 2 324.384 1.952 50 0 DDAALO COc1ccc([C@@H]2CC[N@@H+](Cn3nc4ccccn4c3=O)C2)cc1 ZINC000058267716 184098009 /nfs/dbraw/zinc/09/80/09/184098009.db2.gz HSRVLKVZBGCZFC-OAHLLOKOSA-N 1 2 324.384 1.952 50 0 DDAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 ZINC000065449766 184345869 /nfs/dbraw/zinc/34/58/69/184345869.db2.gz NNSRSTCJNBZARE-HZMBPMFUSA-N 1 2 324.331 1.583 50 0 DDAALO Cn1ccn2ncc(C(=O)NCCc3c[nH+]c4ccccn34)c12 ZINC000065456042 184347853 /nfs/dbraw/zinc/34/78/53/184347853.db2.gz IIQZTOIIOFCSBY-UHFFFAOYSA-N 1 2 308.345 1.293 50 0 DDAALO Nc1[nH+]cccc1CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000223330976 407568526 /nfs/dbraw/zinc/56/85/26/407568526.db2.gz WNRGOHIIZHNZQW-UHFFFAOYSA-N 1 2 308.341 1.295 50 0 DDAALO O=c1c2cc(F)ccc2[nH]c(=S)n1CC[NH+]1CCOCC1 ZINC000000425292 406648773 /nfs/dbraw/zinc/64/87/73/406648773.db2.gz GNUKBNMNLBKBKJ-UHFFFAOYSA-N 1 2 309.366 1.157 50 0 DDAALO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 ZINC000005516428 406732693 /nfs/dbraw/zinc/73/26/93/406732693.db2.gz OIPNPOOANSBUSI-UWVGGRQHSA-N 1 2 302.808 1.994 50 0 DDAALO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cn1 ZINC000069569704 406736292 /nfs/dbraw/zinc/73/62/92/406736292.db2.gz PJFPGBLGYVJPOT-UHFFFAOYSA-N 1 2 302.378 1.844 50 0 DDAALO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cn1 ZINC000069569704 406736294 /nfs/dbraw/zinc/73/62/94/406736294.db2.gz PJFPGBLGYVJPOT-UHFFFAOYSA-N 1 2 302.378 1.844 50 0 DDAALO Cc1ncc(C[N@@H+]2CCN(Cc3nccn3C)[C@H](C)C2)s1 ZINC000069454357 406715204 /nfs/dbraw/zinc/71/52/04/406715204.db2.gz RPOSCKVNAJHEGR-GFCCVEGCSA-N 1 2 305.451 1.891 50 0 DDAALO Cc1ncc(C[N@H+]2CCN(Cc3nccn3C)[C@H](C)C2)s1 ZINC000069454357 406715208 /nfs/dbraw/zinc/71/52/08/406715208.db2.gz RPOSCKVNAJHEGR-GFCCVEGCSA-N 1 2 305.451 1.891 50 0 DDAALO CCCc1noc([C@@H](C)N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000069521543 406728758 /nfs/dbraw/zinc/72/87/58/406728758.db2.gz FAJZVRRXBPHHHN-CYBMUJFWSA-N 1 2 318.425 1.634 50 0 DDAALO CC(=O)N(C)c1nc(C[N@@H+]2CCC[C@H]2Cn2cncn2)cs1 ZINC000069901897 406788211 /nfs/dbraw/zinc/78/82/11/406788211.db2.gz IEDSNCFVPDCPEH-ZDUSSCGKSA-N 1 2 320.422 1.382 50 0 DDAALO CC(=O)N(C)c1nc(C[N@H+]2CCC[C@H]2Cn2cncn2)cs1 ZINC000069901897 406788216 /nfs/dbraw/zinc/78/82/16/406788216.db2.gz IEDSNCFVPDCPEH-ZDUSSCGKSA-N 1 2 320.422 1.382 50 0 DDAALO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(F)cc2)CC1 ZINC000008583104 406790196 /nfs/dbraw/zinc/79/01/96/406790196.db2.gz FRNBAHGZXHWVRN-UHFFFAOYSA-N 1 2 312.352 1.829 50 0 DDAALO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccccc2O)CC1 ZINC000008709306 406793431 /nfs/dbraw/zinc/79/34/31/406793431.db2.gz SGZWOEJXDQCOOR-UHFFFAOYSA-N 1 2 310.361 1.396 50 0 DDAALO Cc1cc(N)nc(SCCNC(=O)OCC(F)(F)F)[nH+]1 ZINC000070039593 406805576 /nfs/dbraw/zinc/80/55/76/406805576.db2.gz KITMOPJOINKGCF-UHFFFAOYSA-N 1 2 310.301 1.748 50 0 DDAALO CN(C(=O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1)c1nccs1 ZINC000070039898 406806346 /nfs/dbraw/zinc/80/63/46/406806346.db2.gz BXZROLYNQUERLD-CYBMUJFWSA-N 1 2 319.434 1.857 50 0 DDAALO CN(C(=O)C[N@H+]1CCCC[C@@H]1Cn1cccn1)c1nccs1 ZINC000070039898 406806349 /nfs/dbraw/zinc/80/63/49/406806349.db2.gz BXZROLYNQUERLD-CYBMUJFWSA-N 1 2 319.434 1.857 50 0 DDAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)n(C)n1 ZINC000070038619 406806871 /nfs/dbraw/zinc/80/68/71/406806871.db2.gz DVQLRCOGDUQNCZ-ZDUSSCGKSA-N 1 2 302.382 1.238 50 0 DDAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)n(C)n1 ZINC000070038619 406806875 /nfs/dbraw/zinc/80/68/75/406806875.db2.gz DVQLRCOGDUQNCZ-ZDUSSCGKSA-N 1 2 302.382 1.238 50 0 DDAALO Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000071841277 406851276 /nfs/dbraw/zinc/85/12/76/406851276.db2.gz JLJOZRHZOOFNRL-CABCVRRESA-N 1 2 311.389 1.267 50 0 DDAALO CC[N@H+](CC(=O)N[C@]1(C)CCS(=O)(=O)C1)Cc1ccccc1 ZINC000013002451 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/nfs/dbraw/zinc/54/92/38/407549238.db2.gz RWWQCBIZBJJPAT-KRWDZBQOSA-N 1 2 301.390 1.541 50 0 DDAALO Cc1ccc(C[N@H+]2CCn3nc([C@@H](O)CO)cc3C2)c(C)c1 ZINC000221447248 407549246 /nfs/dbraw/zinc/54/92/46/407549246.db2.gz RWWQCBIZBJJPAT-KRWDZBQOSA-N 1 2 301.390 1.541 50 0 DDAALO Cc1nnc([C@H]2C[N@H+](C[C@@H](O)c3ccc(C)cc3C)CCO2)[nH]1 ZINC000229298721 407658047 /nfs/dbraw/zinc/65/80/47/407658047.db2.gz OUXSRUHSXIAGLT-HZPDHXFCSA-N 1 2 316.405 1.837 50 0 DDAALO Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)c3ccc(C)cc3C)CCO2)[nH]1 ZINC000229298721 407658051 /nfs/dbraw/zinc/65/80/51/407658051.db2.gz OUXSRUHSXIAGLT-HZPDHXFCSA-N 1 2 316.405 1.837 50 0 DDAALO Cc1nc([C@H]2C[N@H+](C[C@@H](O)c3ccc(C)cc3C)CCO2)n[nH]1 ZINC000229298721 407658056 /nfs/dbraw/zinc/65/80/56/407658056.db2.gz OUXSRUHSXIAGLT-HZPDHXFCSA-N 1 2 316.405 1.837 50 0 DDAALO Cc1nc([C@H]2C[N@@H+](C[C@@H](O)c3ccc(C)cc3C)CCO2)n[nH]1 ZINC000229298721 407658063 /nfs/dbraw/zinc/65/80/63/407658063.db2.gz OUXSRUHSXIAGLT-HZPDHXFCSA-N 1 2 316.405 1.837 50 0 DDAALO Cc1noc([C@H](C)[N@H+](C)C[C@@H](O)COCc2ccccc2)n1 ZINC000229587314 407669416 /nfs/dbraw/zinc/66/94/16/407669416.db2.gz AABHYPGZFSOOSJ-SWLSCSKDSA-N 1 2 305.378 1.949 50 0 DDAALO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](O)COCc2ccccc2)n1 ZINC000229587314 407669428 /nfs/dbraw/zinc/66/94/28/407669428.db2.gz AABHYPGZFSOOSJ-SWLSCSKDSA-N 1 2 305.378 1.949 50 0 DDAALO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000230070244 407678930 /nfs/dbraw/zinc/67/89/30/407678930.db2.gz LHSVOHWKTNZZOE-HEHGZKQESA-N 1 2 307.390 1.738 50 0 DDAALO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000230070244 407678935 /nfs/dbraw/zinc/67/89/35/407678935.db2.gz LHSVOHWKTNZZOE-HEHGZKQESA-N 1 2 307.390 1.738 50 0 DDAALO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237358042 407815201 /nfs/dbraw/zinc/81/52/01/407815201.db2.gz KCWFASFNDFVVAH-CABCVRRESA-N 1 2 315.417 1.131 50 0 DDAALO CCn1cc[nH+]c1CN1CCC[C@H]1c1nc(CCOC)no1 ZINC000244787922 407939634 /nfs/dbraw/zinc/93/96/34/407939634.db2.gz QGIFFUJLRNEZKY-LBPRGKRZSA-N 1 2 305.382 1.812 50 0 DDAALO CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3COCC[NH2+]3)sc2C1 ZINC000154280483 408009101 /nfs/dbraw/zinc/00/91/01/408009101.db2.gz IZALWLNLJZTKIU-PWSUYJOCSA-N 1 2 309.435 1.975 50 0 DDAALO O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000182303041 408120192 /nfs/dbraw/zinc/12/01/92/408120192.db2.gz XAXAKGRVWXYSKR-ZDUSSCGKSA-N 1 2 312.439 1.236 50 0 DDAALO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CO)C1CCC1 ZINC000253410027 408814470 /nfs/dbraw/zinc/81/44/70/408814470.db2.gz MTDXRBYHUJQSSD-XJKSGUPXSA-N 1 2 324.371 1.674 50 0 DDAALO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1CO)C1CCC1 ZINC000253410027 408814472 /nfs/dbraw/zinc/81/44/72/408814472.db2.gz MTDXRBYHUJQSSD-XJKSGUPXSA-N 1 2 324.371 1.674 50 0 DDAALO C[C@@H]1C[C@@H](N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)C(=O)O1 ZINC000252504436 408802831 /nfs/dbraw/zinc/80/28/31/408802831.db2.gz BGZZVRRPKMDHTI-MGPQQGTHSA-N 1 2 324.446 1.757 50 0 DDAALO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](c2cccs2)N2CCOCC2)C(=O)O1 ZINC000252504436 408802834 /nfs/dbraw/zinc/80/28/34/408802834.db2.gz BGZZVRRPKMDHTI-MGPQQGTHSA-N 1 2 324.446 1.757 50 0 DDAALO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)C(=O)O1 ZINC000252504436 408802837 /nfs/dbraw/zinc/80/28/37/408802837.db2.gz BGZZVRRPKMDHTI-MGPQQGTHSA-N 1 2 324.446 1.757 50 0 DDAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2O)C[NH2+]1 ZINC000299766943 410615052 /nfs/dbraw/zinc/61/50/52/410615052.db2.gz FBRDVNQHUHAZKO-FZMZJTMJSA-N 1 2 314.341 1.179 50 0 DDAALO Cc1cnc(C)c(N2CC[NH+](CCn3cc(Cl)cn3)CC2)n1 ZINC000299784615 410626827 /nfs/dbraw/zinc/62/68/27/410626827.db2.gz PBKAGTQRXOQXME-UHFFFAOYSA-N 1 2 320.828 1.766 50 0 DDAALO Cc1nc(C[N@@H+]2CC[C@@H](Nc3ncccn3)[C@H](O)C2)cs1 ZINC000299794387 410634013 /nfs/dbraw/zinc/63/40/13/410634013.db2.gz IZNZQASIOKFTIH-CHWSQXEVSA-N 1 2 305.407 1.289 50 0 DDAALO Cc1nc(C[N@H+]2CC[C@@H](Nc3ncccn3)[C@H](O)C2)cs1 ZINC000299794387 410634021 /nfs/dbraw/zinc/63/40/21/410634021.db2.gz IZNZQASIOKFTIH-CHWSQXEVSA-N 1 2 305.407 1.289 50 0 DDAALO CC(=O)Nc1nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000013727782 418413315 /nfs/dbraw/zinc/41/33/15/418413315.db2.gz SWNNGSLKKFLCCZ-UHFFFAOYSA-N 1 2 318.402 1.642 50 0 DDAALO Cc1nc(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)n(C)n1 ZINC000044944408 418433302 /nfs/dbraw/zinc/43/33/02/418433302.db2.gz MDAMLJSNYOGESE-JTQLQIEISA-N 1 2 300.366 1.314 50 0 DDAALO NC(=O)[C@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000045491701 418440438 /nfs/dbraw/zinc/44/04/38/418440438.db2.gz LWEZTNPLTFSKDD-VIFPVBQESA-N 1 2 321.768 1.005 50 0 DDAALO CN(C)c1cc(CNC(=O)N(C)Cc2cnn(C)c2)cc[nH+]1 ZINC000047612310 418458164 /nfs/dbraw/zinc/45/81/64/418458164.db2.gz NZSWEEIICRUGPG-UHFFFAOYSA-N 1 2 302.382 1.223 50 0 DDAALO Cc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000107507285 418498099 /nfs/dbraw/zinc/49/80/99/418498099.db2.gz WFSCQMFHZLARPX-SNVBAGLBSA-N 1 2 309.439 1.026 50 0 DDAALO Cc1nsc(N2CCC[N@H+]([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000107507285 418498100 /nfs/dbraw/zinc/49/81/00/418498100.db2.gz WFSCQMFHZLARPX-SNVBAGLBSA-N 1 2 309.439 1.026 50 0 DDAALO O=C(Nc1ccc2nncn2c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193740427 418535367 /nfs/dbraw/zinc/53/53/67/418535367.db2.gz SKTWSRHOBUVYBF-CQSZACIVSA-N 1 2 315.377 1.311 50 0 DDAALO O=C(Nc1ccc2nncn2c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193740427 418535373 /nfs/dbraw/zinc/53/53/73/418535373.db2.gz SKTWSRHOBUVYBF-CQSZACIVSA-N 1 2 315.377 1.311 50 0 DDAALO C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000048273557 418468324 /nfs/dbraw/zinc/46/83/24/418468324.db2.gz SFAGBXJPCVITHM-OAHLLOKOSA-N 1 2 309.387 1.849 50 0 DDAALO C[N@H+](Cc1ccco1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000048273557 418468329 /nfs/dbraw/zinc/46/83/29/418468329.db2.gz SFAGBXJPCVITHM-OAHLLOKOSA-N 1 2 309.387 1.849 50 0 DDAALO Cc1ccccc1OC[C@H](O)C(=O)NCc1ccc[nH+]c1N ZINC000223902807 418564184 /nfs/dbraw/zinc/56/41/84/418564184.db2.gz BCJYXMDFDUWZJJ-ZDUSSCGKSA-N 1 2 301.346 1.028 50 0 DDAALO C[C@H](OCc1ccccc1)C(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000252452461 222244325 /nfs/dbraw/zinc/24/43/25/222244325.db2.gz KAYNYDSRIWDUHH-OAGGEKHMSA-N 1 2 320.433 1.817 50 0 DDAALO COc1ncc(C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)s1 ZINC000585117447 422308086 /nfs/dbraw/zinc/30/80/86/422308086.db2.gz DLVGGTNGXLEEJD-LLVKDONJSA-N 1 2 309.395 1.332 50 0 DDAALO COc1ncc(C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)s1 ZINC000585117447 422308090 /nfs/dbraw/zinc/30/80/90/422308090.db2.gz DLVGGTNGXLEEJD-LLVKDONJSA-N 1 2 309.395 1.332 50 0 DDAALO C[N@H+](CCn1cnc2c1ncnc2N)C/C(Cl)=C\Cl ZINC000606445932 422460202 /nfs/dbraw/zinc/46/02/02/422460202.db2.gz RTZODFYKQAOKOM-XBXARRHUSA-N 1 2 301.181 1.659 50 0 DDAALO C[N@@H+](CCn1cnc2c1ncnc2N)C/C(Cl)=C\Cl ZINC000606445932 422460205 /nfs/dbraw/zinc/46/02/05/422460205.db2.gz RTZODFYKQAOKOM-XBXARRHUSA-N 1 2 301.181 1.659 50 0 DDAALO O=C(NC[C@H]1CCC[NH2+]1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000662413559 424617685 /nfs/dbraw/zinc/61/76/85/424617685.db2.gz XZLDFQVNOQCNLA-LLVKDONJSA-N 1 2 304.325 1.199 50 0 DDAALO CC(C)(C)n1ncnc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000253392393 277291236 /nfs/dbraw/zinc/29/12/36/277291236.db2.gz REEKBROSELZRJS-UHFFFAOYSA-N 1 2 320.441 1.413 50 0 DDAALO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000095431917 279239166 /nfs/dbraw/zinc/23/91/66/279239166.db2.gz PYEUSQXTJLQVQA-HNNXBMFYSA-N 1 2 318.417 1.872 50 0 DDAALO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000095431917 279239169 /nfs/dbraw/zinc/23/91/69/279239169.db2.gz PYEUSQXTJLQVQA-HNNXBMFYSA-N 1 2 318.417 1.872 50 0 DDAALO Cc1c[nH]c([C@@H](C)NC(=O)c2cnc3cc(=O)[nH]n3c2C)[nH+]1 ZINC000534638568 334310227 /nfs/dbraw/zinc/31/02/27/334310227.db2.gz ISVGFQPRKISQEA-MRVPVSSYSA-N 1 2 300.322 1.266 50 0 DDAALO COCCn1c[nH+]cc1CNC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000534638306 334310282 /nfs/dbraw/zinc/31/02/82/334310282.db2.gz MTBOLBAJSWTEJK-OKILXGFUSA-N 1 2 304.394 1.637 50 0 DDAALO Cc1cc(C[N@H+]2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)no1 ZINC000084117051 483991938 /nfs/dbraw/zinc/99/19/38/483991938.db2.gz GLKSZMXKUFSCIA-CQSZACIVSA-N 1 2 304.398 1.126 50 0 DDAALO Cc1cc(C[N@@H+]2CC[C@@H](N(C)Cc3nnc(C)n3C)C2)no1 ZINC000084117051 483991942 /nfs/dbraw/zinc/99/19/42/483991942.db2.gz GLKSZMXKUFSCIA-CQSZACIVSA-N 1 2 304.398 1.126 50 0 DDAALO Cc1cc(CN2CC[C@@H]([N@@H+](C)Cc3nnc(C)n3C)C2)no1 ZINC000084117051 483991946 /nfs/dbraw/zinc/99/19/46/483991946.db2.gz GLKSZMXKUFSCIA-CQSZACIVSA-N 1 2 304.398 1.126 50 0 DDAALO Cc1cc(CN2CC[C@@H]([N@H+](C)Cc3nnc(C)n3C)C2)no1 ZINC000084117051 483991950 /nfs/dbraw/zinc/99/19/50/483991950.db2.gz GLKSZMXKUFSCIA-CQSZACIVSA-N 1 2 304.398 1.126 50 0 DDAALO COc1ccc([C@@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1OC ZINC000670416094 484818679 /nfs/dbraw/zinc/81/86/79/484818679.db2.gz JLYXWJNJEVIXFH-QMMMGPOBSA-N 1 2 315.333 1.132 50 0 DDAALO CO[C@H]1COCC[C@@H]1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000670433931 484827896 /nfs/dbraw/zinc/82/78/96/484827896.db2.gz QSGJNWUXZQLHPO-ZFWWWQNUSA-N 1 2 303.362 1.265 50 0 DDAALO COCc1noc(C[N@H+](C)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000670443409 484832707 /nfs/dbraw/zinc/83/27/07/484832707.db2.gz ZSPDFARCEWQDLT-UHFFFAOYSA-N 1 2 319.340 1.906 50 0 DDAALO COCc1noc(C[N@@H+](C)CCc2nc3cc(F)ccc3[nH]2)n1 ZINC000670443409 484832710 /nfs/dbraw/zinc/83/27/10/484832710.db2.gz ZSPDFARCEWQDLT-UHFFFAOYSA-N 1 2 319.340 1.906 50 0 DDAALO O[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000022926690 696080148 /nfs/dbraw/zinc/08/01/48/696080148.db2.gz CCWMQBPKADSHKN-GJZGRUSLSA-N 1 2 314.788 1.356 50 0 DDAALO O[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000022926690 696080152 /nfs/dbraw/zinc/08/01/52/696080152.db2.gz CCWMQBPKADSHKN-GJZGRUSLSA-N 1 2 314.788 1.356 50 0 DDAALO Cn1cc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)cn1 ZINC000074798727 696416802 /nfs/dbraw/zinc/41/68/02/696416802.db2.gz UBSXHURTGJGEKA-INIZCTEOSA-N 1 2 322.359 1.554 50 0 DDAALO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866104 696609039 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DDAALO CCN(CC)C(=O)C[S@](=O)Cc1cn2c(cccc2C)[nH+]1 ZINC000095440993 185366177 /nfs/dbraw/zinc/36/61/77/185366177.db2.gz NSYXYPAIMCPIII-NRFANRHFSA-N 1 2 307.419 1.760 50 0 DDAALO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)cn2)CC1 ZINC000095462340 185370948 /nfs/dbraw/zinc/37/09/48/185370948.db2.gz UVMYRJMGEVONBK-CQSZACIVSA-N 1 2 320.437 1.123 50 0 DDAALO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000584908633 539555745 /nfs/dbraw/zinc/55/57/45/539555745.db2.gz VAGTTZOCWNGPEL-CYBMUJFWSA-N 1 2 302.382 1.476 50 0 DDAALO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000584908633 539555749 /nfs/dbraw/zinc/55/57/49/539555749.db2.gz VAGTTZOCWNGPEL-CYBMUJFWSA-N 1 2 302.382 1.476 50 0 DDAALO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1nnc[nH]1 ZINC000072142976 191048893 /nfs/dbraw/zinc/04/88/93/191048893.db2.gz IKTMTKXJUMBEMH-ZDUSSCGKSA-N 1 2 319.796 1.853 50 0 DDAALO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1nnc[nH]1 ZINC000072142976 191048895 /nfs/dbraw/zinc/04/88/95/191048895.db2.gz 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CN(Cc1cc2n(n1)CC[NH2+]C2)Cc1nc2ccc(F)cc2[nH]1 ZINC000072133219 191045372 /nfs/dbraw/zinc/04/53/72/191045372.db2.gz BHPNTNBEVISPMG-UHFFFAOYSA-N 1 2 314.368 1.634 50 0 DDAALO Cc1c(CN2CCn3c[nH+]cc3C2)c(=O)n(-c2ccccc2)n1C ZINC000072165546 191064684 /nfs/dbraw/zinc/06/46/84/191064684.db2.gz JPEFDVADASXLOC-UHFFFAOYSA-N 1 2 323.400 1.697 50 0 DDAALO Cc1c(C[N@@H+]2CCn3cncc3C2)c(=O)n(-c2ccccc2)n1C ZINC000072165546 191064686 /nfs/dbraw/zinc/06/46/86/191064686.db2.gz JPEFDVADASXLOC-UHFFFAOYSA-N 1 2 323.400 1.697 50 0 DDAALO Cc1c(C[N@H+]2CCn3cncc3C2)c(=O)n(-c2ccccc2)n1C ZINC000072165546 191064689 /nfs/dbraw/zinc/06/46/89/191064689.db2.gz JPEFDVADASXLOC-UHFFFAOYSA-N 1 2 323.400 1.697 50 0 DDAALO C[N@@H+]1CCO[C@@H](CNCc2coc(-c3cccc(F)c3)n2)C1 ZINC000072267935 191091689 /nfs/dbraw/zinc/09/16/89/191091689.db2.gz NVISEDRBLXIFEE-HNNXBMFYSA-N 1 2 305.353 1.901 50 0 DDAALO C[N@H+]1CCO[C@@H](CNCc2coc(-c3cccc(F)c3)n2)C1 ZINC000072267935 191091692 /nfs/dbraw/zinc/09/16/92/191091692.db2.gz 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Cc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccon3)C2)n1 ZINC000613208854 361325460 /nfs/dbraw/zinc/32/54/60/361325460.db2.gz LXFSYIREFINFJC-LBPRGKRZSA-N 1 2 301.350 1.013 50 0 DDAALO Cc1cccn2cc(CS(=O)(=O)Cc3ccnn3C)[nH+]c12 ZINC000194403360 201220443 /nfs/dbraw/zinc/22/04/43/201220443.db2.gz XNQLFIJMWKSAPA-UHFFFAOYSA-N 1 2 304.375 1.491 50 0 DDAALO CCNc1ccc(Cl)cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091679814 193090752 /nfs/dbraw/zinc/09/07/52/193090752.db2.gz LFETWKVBDHHYLR-GFCCVEGCSA-N 1 2 311.813 1.832 50 0 DDAALO CCNc1ccc(Cl)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091679814 193090754 /nfs/dbraw/zinc/09/07/54/193090754.db2.gz LFETWKVBDHHYLR-GFCCVEGCSA-N 1 2 311.813 1.832 50 0 DDAALO COc1cccc(OC[C@@H](O)CNc2nc[nH+]c(C)c2C)c1 ZINC000091770506 193105502 /nfs/dbraw/zinc/10/55/02/193105502.db2.gz HLBPAEAUWQYHDG-ZDUSSCGKSA-N 1 2 303.362 1.954 50 0 DDAALO O=C(CO)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091915156 193125500 /nfs/dbraw/zinc/12/55/00/193125500.db2.gz HDEWXKZFJQYFCX-CQSZACIVSA-N 1 2 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C[C@H](c1cccc(F)c1)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000241231154 407909967 /nfs/dbraw/zinc/90/99/67/407909967.db2.gz KSOCEEMVNSBCAT-IUODEOHRSA-N 1 2 309.385 1.005 50 0 DDAALO C[C@H](c1cccc(F)c1)[N@@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000241231154 407909973 /nfs/dbraw/zinc/90/99/73/407909973.db2.gz KSOCEEMVNSBCAT-IUODEOHRSA-N 1 2 309.385 1.005 50 0 DDAALO C[C@H](c1cccc(F)c1)[N@H+]1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000241231154 407909979 /nfs/dbraw/zinc/90/99/79/407909979.db2.gz KSOCEEMVNSBCAT-IUODEOHRSA-N 1 2 309.385 1.005 50 0 DDAALO COCCc1noc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000243892363 407922527 /nfs/dbraw/zinc/92/25/27/407922527.db2.gz AGUASMQQUVKHFH-UHFFFAOYSA-N 1 2 313.361 1.734 50 0 DDAALO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1F)[C@H]1COC[C@@H]1O ZINC000244626517 407928828 /nfs/dbraw/zinc/92/88/28/407928828.db2.gz FNFMPUQKRFRORY-STQMWFEESA-N 1 2 316.760 1.499 50 0 DDAALO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)[C@H]1COC[C@@H]1O ZINC000244626517 407928840 /nfs/dbraw/zinc/92/88/40/407928840.db2.gz 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DDAALO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1noc([C@H]2CCCO2)n1 ZINC000244715828 407931550 /nfs/dbraw/zinc/93/15/50/407931550.db2.gz LDELXZMHJGNXSJ-CYBMUJFWSA-N 1 2 305.382 1.936 50 0 DDAALO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1noc([C@H]2CCCO2)n1 ZINC000244715828 407931554 /nfs/dbraw/zinc/93/15/54/407931554.db2.gz LDELXZMHJGNXSJ-CYBMUJFWSA-N 1 2 305.382 1.936 50 0 DDAALO CN(C[C@H]1CCCCO1)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000299767197 410613797 /nfs/dbraw/zinc/61/37/97/410613797.db2.gz HJGWVOVLXUKDKJ-MRXNPFEDSA-N 1 2 318.417 1.909 50 0 DDAALO CN(C[C@H]1CCCCO1)C(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000299767197 410613801 /nfs/dbraw/zinc/61/38/01/410613801.db2.gz HJGWVOVLXUKDKJ-MRXNPFEDSA-N 1 2 318.417 1.909 50 0 DDAALO CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1c[nH+]c[nH]1 ZINC000299799189 410639159 /nfs/dbraw/zinc/63/91/59/410639159.db2.gz VQHGUESWFAJVNH-UHFFFAOYSA-N 1 2 315.377 1.405 50 0 DDAALO CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1c[nH]c[nH+]1 ZINC000299799189 410639164 /nfs/dbraw/zinc/63/91/64/410639164.db2.gz 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