smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000072355719 191131087 /nfs/dbraw/zinc/13/10/87/191131087.db2.gz GBVJQEVSGMVYOT-MRXNPFEDSA-N 1 2 314.364 1.829 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000072355719 191131088 /nfs/dbraw/zinc/13/10/88/191131088.db2.gz GBVJQEVSGMVYOT-MRXNPFEDSA-N 1 2 314.364 1.829 40 0 DDABLO Nc1ccc(OCCCc2c(N)nc(N)[nH+]c2N)c(Cl)c1 ZINC000004771741 181150612 /nfs/dbraw/zinc/15/06/12/181150612.db2.gz MRBXDXGUPGPBKD-UHFFFAOYSA-N 1 2 308.773 1.470 40 0 DDABLO O=C1CCCN1C[C@@H]1CCn2nccc2C[N@@H+]1Cc1cn[nH]c1 ZINC000585097151 354804973 /nfs/dbraw/zinc/80/49/73/354804973.db2.gz HXCMBJUGHJIZFA-AWEZNQCLSA-N 1 2 314.393 1.003 40 0 DDABLO O=C1CCCN1C[C@@H]1CCn2nccc2C[N@H+]1Cc1cn[nH]c1 ZINC000585097151 354804981 /nfs/dbraw/zinc/80/49/81/354804981.db2.gz HXCMBJUGHJIZFA-AWEZNQCLSA-N 1 2 314.393 1.003 40 0 DDABLO COC[C@]1(CC(N)=O)C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000585279488 354822660 /nfs/dbraw/zinc/82/26/60/354822660.db2.gz ZTFVVSPHOSKNDW-HNNXBMFYSA-N 1 2 312.797 1.433 40 0 DDABLO COC[C@]1(CC(N)=O)C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000585279488 354822664 /nfs/dbraw/zinc/82/26/64/354822664.db2.gz ZTFVVSPHOSKNDW-HNNXBMFYSA-N 1 2 312.797 1.433 40 0 DDABLO CCOC(=O)C[NH2+]CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC000073633261 191333105 /nfs/dbraw/zinc/33/31/05/191333105.db2.gz OOKVOLIXEIQIGR-UHFFFAOYSA-N 1 2 300.399 1.977 40 0 DDABLO CC(=O)N(C)[C@H]1CCOC2(CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000257297697 203022152 /nfs/dbraw/zinc/02/21/52/203022152.db2.gz RINDGWPKMWIHQI-HNNXBMFYSA-N 1 2 318.421 1.781 40 0 DDABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc[nH+]1 ZINC000257301936 203025263 /nfs/dbraw/zinc/02/52/63/203025263.db2.gz SAQPLQKULUFREE-GFCCVEGCSA-N 1 2 321.406 1.383 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccc(F)cc2)[nH+]1 ZINC000257293164 203019578 /nfs/dbraw/zinc/01/95/78/203019578.db2.gz QOKAIUDURIAJKS-AWEZNQCLSA-N 1 2 319.336 1.836 40 0 DDABLO O=C(Cc1cccc(F)c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257317155 203040861 /nfs/dbraw/zinc/04/08/61/203040861.db2.gz VIPFJCBRBBBOFA-HOTGVXAUSA-N 1 2 317.364 1.789 40 0 DDABLO CNC(=O)c1c[nH]nc1C1(C)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000257320543 203045353 /nfs/dbraw/zinc/04/53/53/203045353.db2.gz VXHKSBPWAOHMRW-UHFFFAOYSA-N 1 2 302.382 1.046 40 0 DDABLO COCC[N@@H+]1CCCC[C@H]1c1ncc(C(=O)N(C)C)c(C)n1 ZINC000019753704 182143524 /nfs/dbraw/zinc/14/35/24/182143524.db2.gz MRNADJOZCLYGDQ-AWEZNQCLSA-N 1 2 306.410 1.660 40 0 DDABLO COCC[N@H+]1CCCC[C@H]1c1ncc(C(=O)N(C)C)c(C)n1 ZINC000019753704 182143527 /nfs/dbraw/zinc/14/35/27/182143527.db2.gz MRNADJOZCLYGDQ-AWEZNQCLSA-N 1 2 306.410 1.660 40 0 DDABLO C[C@@H](O)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022858736 182338015 /nfs/dbraw/zinc/33/80/15/182338015.db2.gz DZJBWPMAQOFXPB-KBAYOESNSA-N 1 2 320.433 1.142 40 0 DDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c1C ZINC000101370763 193812035 /nfs/dbraw/zinc/81/20/35/193812035.db2.gz OPHMZMFPCYRSOQ-UHFFFAOYSA-O 1 2 324.426 1.296 40 0 DDABLO CCOC(=O)[C@@H]1c2c([nH+]cn2C)CCN1C(=O)OC(C)(C)C ZINC000230548473 285891872 /nfs/dbraw/zinc/89/18/72/285891872.db2.gz PUFOAZLZNZRRPN-LBPRGKRZSA-N 1 2 309.366 1.818 40 0 DDABLO COCCN1C(=O)CCC12CC[NH+](Cc1nccn1C)CC2 ZINC000096228064 407254323 /nfs/dbraw/zinc/25/43/23/407254323.db2.gz DEIWYLVZWZVPOX-UHFFFAOYSA-N 1 2 306.410 1.024 40 0 DDABLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000096049128 407227580 /nfs/dbraw/zinc/22/75/80/407227580.db2.gz RGSNEUDCKGKWNG-QGZVFWFLSA-N 1 2 320.437 1.270 40 0 DDABLO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000096049128 407227581 /nfs/dbraw/zinc/22/75/81/407227581.db2.gz RGSNEUDCKGKWNG-QGZVFWFLSA-N 1 2 320.437 1.270 40 0 DDABLO CCS(=O)(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096060255 407231951 /nfs/dbraw/zinc/23/19/51/407231951.db2.gz AXFIVPOFNXSSRB-GFCCVEGCSA-N 1 2 313.423 1.096 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccco1 ZINC000096201256 407248648 /nfs/dbraw/zinc/24/86/48/407248648.db2.gz LKQCKUYEXPXCLM-GFCCVEGCSA-N 1 2 311.345 1.938 40 0 DDABLO COc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)cc1C ZINC000101370767 407309193 /nfs/dbraw/zinc/30/91/93/407309193.db2.gz CBMWYRIZAXBVHS-UHFFFAOYSA-O 1 2 324.426 1.296 40 0 DDABLO CC(C)NC(=O)[C@]1(C)CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257205616 407492740 /nfs/dbraw/zinc/49/27/40/407492740.db2.gz AZWPDMJURXWCNT-MRXNPFEDSA-N 1 2 305.426 1.674 40 0 DDABLO CC(C)NC(=O)[C@]1(C)CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257205616 407492746 /nfs/dbraw/zinc/49/27/46/407492746.db2.gz AZWPDMJURXWCNT-MRXNPFEDSA-N 1 2 305.426 1.674 40 0 DDABLO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000247915658 408516268 /nfs/dbraw/zinc/51/62/68/408516268.db2.gz BFBOTVDIKBLNPI-CQSZACIVSA-N 1 2 300.362 1.195 40 0 DDABLO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000247915658 408516272 /nfs/dbraw/zinc/51/62/72/408516272.db2.gz BFBOTVDIKBLNPI-CQSZACIVSA-N 1 2 300.362 1.195 40 0 DDABLO CNC(=O)c1cccc([C@@H]2CN(c3ncccn3)CC[N@@H+]2C)c1 ZINC000072367678 277019064 /nfs/dbraw/zinc/01/90/64/277019064.db2.gz KYERCKLSXGAYHK-HNNXBMFYSA-N 1 2 311.389 1.329 40 0 DDABLO CNC(=O)c1cccc([C@@H]2CN(c3ncccn3)CC[N@H+]2C)c1 ZINC000072367678 277019065 /nfs/dbraw/zinc/01/90/65/277019065.db2.gz KYERCKLSXGAYHK-HNNXBMFYSA-N 1 2 311.389 1.329 40 0 DDABLO Cn1cccc1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072336790 191126309 /nfs/dbraw/zinc/12/63/09/191126309.db2.gz VAXGWCNREXLINU-UHFFFAOYSA-N 1 2 321.384 1.729 40 0 DDABLO Cn1cccc1C[N@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072336790 191126311 /nfs/dbraw/zinc/12/63/11/191126311.db2.gz VAXGWCNREXLINU-UHFFFAOYSA-N 1 2 321.384 1.729 40 0 DDABLO Cc1cnc(C[C@H]2COCC[N@@H+](Cc3nccn3C)C2)cn1 ZINC000072388213 191146672 /nfs/dbraw/zinc/14/66/72/191146672.db2.gz MDABJYYRLCSHJR-CQSZACIVSA-N 1 2 301.394 1.210 40 0 DDABLO Cc1cnc(C[C@H]2COCC[N@H+](Cc3nccn3C)C2)cn1 ZINC000072388213 191146675 /nfs/dbraw/zinc/14/66/75/191146675.db2.gz MDABJYYRLCSHJR-CQSZACIVSA-N 1 2 301.394 1.210 40 0 DDABLO O=C(C1CCC1)N1Cc2c[nH+]cn2[C@H](C(=O)N2CCCCO2)C1 ZINC000585096044 354804090 /nfs/dbraw/zinc/80/40/90/354804090.db2.gz OPWZPZAUQOPABD-AWEZNQCLSA-N 1 2 318.377 1.121 40 0 DDABLO Cc1nc(N2CCOC[C@@](O)(COc3ccccc3)C2)cc[nH+]1 ZINC000585277379 354821445 /nfs/dbraw/zinc/82/14/45/354821445.db2.gz VSGZQNFKRBGEFI-QGZVFWFLSA-N 1 2 315.373 1.432 40 0 DDABLO Cn1c[nH+]cc1-c1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257300837 203025406 /nfs/dbraw/zinc/02/54/06/203025406.db2.gz RVWLVYOCDWQYDG-ZDUSSCGKSA-N 1 2 306.391 1.579 40 0 DDABLO Cn1cc(C(=O)N2CC[NH+](C)CC2)c(=O)c2cc(F)ccc21 ZINC000022236406 182314580 /nfs/dbraw/zinc/31/45/80/182314580.db2.gz QRIJQFZPXVJNJS-UHFFFAOYSA-N 1 2 303.337 1.065 40 0 DDABLO CC[NH+]1CCN(S(=O)(=O)c2cncc(Cl)c2NC)CC1 ZINC000072210794 257127035 /nfs/dbraw/zinc/12/70/35/257127035.db2.gz RCDQASRJDFYBHN-UHFFFAOYSA-N 1 2 318.830 1.103 40 0 DDABLO O=C(c1ccoc1)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096217035 407251781 /nfs/dbraw/zinc/25/17/81/407251781.db2.gz IWVTUEBQGHQXDL-PBHICJAKSA-N 1 2 313.357 1.875 40 0 DDABLO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096218613 407251976 /nfs/dbraw/zinc/25/19/76/407251976.db2.gz KJCNOXBMCTUOCD-SDDRHHMPSA-N 1 2 306.391 1.667 40 0 DDABLO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096218613 407251977 /nfs/dbraw/zinc/25/19/77/407251977.db2.gz KJCNOXBMCTUOCD-SDDRHHMPSA-N 1 2 306.391 1.667 40 0 DDABLO CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3[nH+]ccn3C)C2)C1 ZINC000096225506 407252561 /nfs/dbraw/zinc/25/25/61/407252561.db2.gz GJZFBBIBOXUKOP-MRXNPFEDSA-N 1 2 319.409 1.008 40 0 DDABLO CCS(=O)(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096060254 407231353 /nfs/dbraw/zinc/23/13/53/407231353.db2.gz AXFIVPOFNXSSRB-LBPRGKRZSA-N 1 2 313.423 1.096 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)no1 ZINC000096205948 407249976 /nfs/dbraw/zinc/24/99/76/407249976.db2.gz UEKFQWGAOXHGAK-NVXWUHKLSA-N 1 2 319.405 1.729 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)no1 ZINC000096205948 407249978 /nfs/dbraw/zinc/24/99/78/407249978.db2.gz UEKFQWGAOXHGAK-NVXWUHKLSA-N 1 2 319.405 1.729 40 0 DDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccsc2)C1 ZINC000096208953 407250807 /nfs/dbraw/zinc/25/08/07/407250807.db2.gz JZZQPUVBLTWYHY-CYBMUJFWSA-N 1 2 305.403 1.792 40 0 DDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)o1 ZINC000107264018 407371621 /nfs/dbraw/zinc/37/16/21/407371621.db2.gz XDXAQTDETDIEKX-BZUAXINKSA-N 1 2 304.390 1.800 40 0 DDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)o1 ZINC000107264018 407371622 /nfs/dbraw/zinc/37/16/22/407371622.db2.gz XDXAQTDETDIEKX-BZUAXINKSA-N 1 2 304.390 1.800 40 0 DDABLO CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000257220655 407501479 /nfs/dbraw/zinc/50/14/79/407501479.db2.gz DLPIVBWUMIYXCD-INIZCTEOSA-N 1 2 312.373 1.315 40 0 DDABLO CCCn1ccc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257243915 407514862 /nfs/dbraw/zinc/51/48/62/407514862.db2.gz IJCKNHXFYWHJTM-CYBMUJFWSA-N 1 2 301.394 1.965 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2[nH+]c(C)cn2C)n1 ZINC000257255051 407520571 /nfs/dbraw/zinc/52/05/71/407520571.db2.gz KFWOHQBNEDZSJE-CQSZACIVSA-N 1 2 301.394 1.906 40 0 DDABLO COC[C@H]1CN(C(=O)c2cc(C)nc(C)c2)Cc2c[nH+]cn21 ZINC000247913997 408516794 /nfs/dbraw/zinc/51/67/94/408516794.db2.gz YXMDZICFOUUHGN-OAHLLOKOSA-N 1 2 300.362 1.738 40 0 DDABLO CC(=O)N1C[C@@H]2CN(Cc3nccs3)CC[N@@H+]2C(C)(C)C1 ZINC000253396306 277018552 /nfs/dbraw/zinc/01/85/52/277018552.db2.gz DPFMRGJPHCIEQP-ZDUSSCGKSA-N 1 2 308.451 1.270 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(Cc3nccs3)CC[N@H+]2C(C)(C)C1 ZINC000253396306 277018553 /nfs/dbraw/zinc/01/85/53/277018553.db2.gz DPFMRGJPHCIEQP-ZDUSSCGKSA-N 1 2 308.451 1.270 40 0 biogenic,in-vitro DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1cc3ccccc3o1)C2 ZINC000585094799 354803556 /nfs/dbraw/zinc/80/35/56/354803556.db2.gz NJLPSBWVJUGXRK-GFCCVEGCSA-N 1 2 311.341 1.726 40 0 DDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CC(=O)N(C)C)C2)no1 ZINC000585099165 354807333 /nfs/dbraw/zinc/80/73/33/354807333.db2.gz QWBFCJGOEJOFGQ-AWEZNQCLSA-N 1 2 316.405 1.895 40 0 DDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CC(=O)N(C)C)C2)no1 ZINC000585099165 354807335 /nfs/dbraw/zinc/80/73/35/354807335.db2.gz QWBFCJGOEJOFGQ-AWEZNQCLSA-N 1 2 316.405 1.895 40 0 DDABLO O=C(NC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21)N1CCCC1 ZINC000585111719 354809295 /nfs/dbraw/zinc/80/92/95/354809295.db2.gz GSBMBJREWUMLHG-HNNXBMFYSA-N 1 2 303.410 1.598 40 0 DDABLO O=C(NC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21)N1CCCC1 ZINC000585111719 354809298 /nfs/dbraw/zinc/80/92/98/354809298.db2.gz GSBMBJREWUMLHG-HNNXBMFYSA-N 1 2 303.410 1.598 40 0 DDABLO Cc1nc([C@H]2C[N@H+](Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1 ZINC000257269774 203000015 /nfs/dbraw/zinc/00/00/15/203000015.db2.gz MRILGLUETOTPKH-OAHLLOKOSA-N 1 2 317.393 1.842 40 0 DDABLO Cc1nc([C@H]2C[N@@H+](Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1 ZINC000257269774 203000019 /nfs/dbraw/zinc/00/00/19/203000019.db2.gz MRILGLUETOTPKH-OAHLLOKOSA-N 1 2 317.393 1.842 40 0 DDABLO CCCCc1[nH]c(CN2CCO[C@](C)(C(=O)N(C)C)C2)c[nH+]1 ZINC000257270712 203000362 /nfs/dbraw/zinc/00/03/62/203000362.db2.gz MVJGQZOQDGULNP-INIZCTEOSA-N 1 2 308.426 1.431 40 0 DDABLO CCCCc1[nH]cc(CN2CCO[C@](C)(C(=O)N(C)C)C2)[nH+]1 ZINC000257270712 203000365 /nfs/dbraw/zinc/00/03/65/203000365.db2.gz MVJGQZOQDGULNP-INIZCTEOSA-N 1 2 308.426 1.431 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2cccc(F)c2)[nH+]1 ZINC000257293880 203019118 /nfs/dbraw/zinc/01/91/18/203019118.db2.gz QROYULNLHDPWTP-AWEZNQCLSA-N 1 2 303.337 2.000 40 0 DDABLO O=C(CCn1cc[nH+]c1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257315940 203041705 /nfs/dbraw/zinc/04/17/05/203041705.db2.gz VDKAKWCZZOQCNQ-UHFFFAOYSA-N 1 2 324.388 1.722 40 0 DDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000035443660 406973365 /nfs/dbraw/zinc/97/33/65/406973365.db2.gz GYWULWFEHBDLJN-UHFFFAOYSA-N 1 2 309.218 1.930 40 0 DDABLO COc1cc(C(=O)CC[NH+]2CCOCC2)cc(OC)c1OC ZINC000031923907 406943907 /nfs/dbraw/zinc/94/39/07/406943907.db2.gz HFEWVLHTQPVLCA-UHFFFAOYSA-N 1 2 309.362 1.617 40 0 DDABLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]3O2)n1 ZINC000096220671 407252719 /nfs/dbraw/zinc/25/27/19/407252719.db2.gz FKZKJGPDRZNKKW-IACUBPJLSA-N 1 2 320.418 1.975 40 0 DDABLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4csc(C)n4)C[C@H]3O2)n1 ZINC000096220671 407252720 /nfs/dbraw/zinc/25/27/20/407252720.db2.gz FKZKJGPDRZNKKW-IACUBPJLSA-N 1 2 320.418 1.975 40 0 DDABLO CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3[nH+]ccn3C)C2)C1 ZINC000096225507 407253079 /nfs/dbraw/zinc/25/30/79/407253079.db2.gz GJZFBBIBOXUKOP-INIZCTEOSA-N 1 2 319.409 1.008 40 0 DDABLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2nnn(CC3CC3)c21 ZINC000096060885 407232200 /nfs/dbraw/zinc/23/22/00/407232200.db2.gz FGBVZGNXYQOWLF-CQSZACIVSA-N 1 2 316.409 1.167 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nnn(CC3CC3)c21 ZINC000096060885 407232202 /nfs/dbraw/zinc/23/22/02/407232202.db2.gz FGBVZGNXYQOWLF-CQSZACIVSA-N 1 2 316.409 1.167 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257202604 407492582 /nfs/dbraw/zinc/49/25/82/407492582.db2.gz AMOQJUHGXFPHGP-AWEZNQCLSA-N 1 2 301.394 1.868 40 0 DDABLO C[C@H](CCS(C)(=O)=O)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000132198503 196233934 /nfs/dbraw/zinc/23/39/34/196233934.db2.gz UDXJSTOLYLJYTJ-GFCCVEGCSA-N 1 2 312.439 1.702 40 0 DDABLO C[C@H](CCS(C)(=O)=O)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000132198503 196233936 /nfs/dbraw/zinc/23/39/36/196233936.db2.gz UDXJSTOLYLJYTJ-GFCCVEGCSA-N 1 2 312.439 1.702 40 0 DDABLO Cc1nc([C@H]2C[N@@H+](C3CCOCC3)CCO2)cc(N(C)C)n1 ZINC000072387734 191146298 /nfs/dbraw/zinc/14/62/98/191146298.db2.gz YSWBYXPPXSCZMU-OAHLLOKOSA-N 1 2 306.410 1.403 40 0 DDABLO Cc1nc([C@H]2C[N@H+](C3CCOCC3)CCO2)cc(N(C)C)n1 ZINC000072387734 191146299 /nfs/dbraw/zinc/14/62/99/191146299.db2.gz YSWBYXPPXSCZMU-OAHLLOKOSA-N 1 2 306.410 1.403 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)[C@@H]1CCCS1)[C@H]2C ZINC000585098705 354805862 /nfs/dbraw/zinc/80/58/62/354805862.db2.gz XQUMVUCGGSMPAN-AAEUAGOBSA-N 1 2 309.435 1.871 40 0 DDABLO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257268262 203000041 /nfs/dbraw/zinc/00/00/41/203000041.db2.gz MKXTUZDIXWSOTG-MRXNPFEDSA-N 1 2 314.393 1.129 40 0 DDABLO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257268262 203000046 /nfs/dbraw/zinc/00/00/46/203000046.db2.gz MKXTUZDIXWSOTG-MRXNPFEDSA-N 1 2 314.393 1.129 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257329018 203052502 /nfs/dbraw/zinc/05/25/02/203052502.db2.gz XIBBLSWRHSITHY-CYBMUJFWSA-N 1 2 301.394 1.627 40 0 DDABLO Cc1noc(C)c1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257319450 203044070 /nfs/dbraw/zinc/04/40/70/203044070.db2.gz VSPFCUFWPVMAFI-IIAWOOMASA-N 1 2 318.377 1.301 40 0 DDABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)cc[nH+]1 ZINC000257337871 203060402 /nfs/dbraw/zinc/06/04/02/203060402.db2.gz YUUHWASHIOVNIM-AWEZNQCLSA-N 1 2 312.373 1.799 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)no1 ZINC000096209546 407250948 /nfs/dbraw/zinc/25/09/48/407250948.db2.gz UEKFQWGAOXHGAK-DOTOQJQBSA-N 1 2 319.405 1.729 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)no1 ZINC000096209546 407250951 /nfs/dbraw/zinc/25/09/51/407250951.db2.gz UEKFQWGAOXHGAK-DOTOQJQBSA-N 1 2 319.405 1.729 40 0 DDABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@H+](Cc3ccncc3)C2)c1 ZINC000096188548 407245558 /nfs/dbraw/zinc/24/55/58/407245558.db2.gz ROLAIHQOAFONEE-INIZCTEOSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@@H+](Cc3ccncc3)C2)c1 ZINC000096188548 407245560 /nfs/dbraw/zinc/24/55/60/407245560.db2.gz ROLAIHQOAFONEE-INIZCTEOSA-N 1 2 308.389 1.807 40 0 DDABLO C[N@@H+](Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197476 407247948 /nfs/dbraw/zinc/24/79/48/407247948.db2.gz HDOOUWRWXGWGHQ-OAHLLOKOSA-N 1 2 316.405 1.713 40 0 DDABLO C[N@H+](Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197476 407247950 /nfs/dbraw/zinc/24/79/50/407247950.db2.gz HDOOUWRWXGWGHQ-OAHLLOKOSA-N 1 2 316.405 1.713 40 0 DDABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cc(C)no2)C1 ZINC000096206584 407249940 /nfs/dbraw/zinc/24/99/40/407249940.db2.gz XRDWWLJHHWPBSU-LBPRGKRZSA-N 1 2 304.350 1.488 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000107226363 407371018 /nfs/dbraw/zinc/37/10/18/407371018.db2.gz OTZXIKGJZVAACH-CZUORRHYSA-N 1 2 314.393 1.056 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000107226363 407371019 /nfs/dbraw/zinc/37/10/19/407371019.db2.gz OTZXIKGJZVAACH-CZUORRHYSA-N 1 2 314.393 1.056 40 0 DDABLO Cn1nccc1CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257201384 407491013 /nfs/dbraw/zinc/49/10/13/407491013.db2.gz AHMHDBNFKALEEN-AWEZNQCLSA-N 1 2 313.405 1.533 40 0 DDABLO CNc1cc([C@H]2CCCN2C(=O)CN2CCOCC2)cc[nH+]1 ZINC000257223107 407504012 /nfs/dbraw/zinc/50/40/12/407504012.db2.gz DVWUMFAXIGCCLM-CQSZACIVSA-N 1 2 304.394 1.119 40 0 DDABLO O=S(=O)(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cccnc1 ZINC000166173969 408815755 /nfs/dbraw/zinc/81/57/55/408815755.db2.gz NPTFODKSGRVDBX-CYBMUJFWSA-N 1 2 318.402 1.424 40 0 DDABLO Cn1cnc(S(=O)(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000072366747 191137815 /nfs/dbraw/zinc/13/78/15/191137815.db2.gz PFSLSBZUTNDKOE-AWEZNQCLSA-N 1 2 320.418 1.098 40 0 DDABLO Cn1cnc(S(=O)(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000072366747 191137817 /nfs/dbraw/zinc/13/78/17/191137817.db2.gz PFSLSBZUTNDKOE-AWEZNQCLSA-N 1 2 320.418 1.098 40 0 DDABLO CC(=O)N1CC[C@@H]1c1cc(NCc2[nH+]ccn2C)nc(C)n1 ZINC000072386937 191145619 /nfs/dbraw/zinc/14/56/19/191145619.db2.gz KMAPGPSCBADAPM-CYBMUJFWSA-N 1 2 300.366 1.424 40 0 DDABLO CC[C@H](Oc1ccccc1OC)C(=O)NCC[NH+]1CCOCC1 ZINC000008495043 352135953 /nfs/dbraw/zinc/13/59/53/352135953.db2.gz OMOOTLMYTKWEHD-AWEZNQCLSA-N 1 2 322.405 1.301 40 0 DDABLO CCOc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004457948 181110357 /nfs/dbraw/zinc/11/03/57/181110357.db2.gz CWOQMBRNWVSEHW-UHFFFAOYSA-N 1 2 316.361 1.427 40 0 DDABLO CC(=O)NC1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000585171868 354816813 /nfs/dbraw/zinc/81/68/13/354816813.db2.gz FQMMPLQSKRQTIU-UHFFFAOYSA-N 1 2 314.389 1.312 40 0 DDABLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585278352 354822536 /nfs/dbraw/zinc/82/25/36/354822536.db2.gz REWDYWWLMIOMIB-MRXNPFEDSA-N 1 2 319.336 1.134 40 0 DDABLO O[C@@H]1C[N@H+](Cc2ncccc2F)C[C@H]1Oc1cccc(F)c1 ZINC000257306280 203033121 /nfs/dbraw/zinc/03/31/21/203033121.db2.gz STPQNNMPVKQEQD-HZPDHXFCSA-N 1 2 306.312 1.984 40 0 DDABLO O[C@@H]1C[N@@H+](Cc2ncccc2F)C[C@H]1Oc1cccc(F)c1 ZINC000257306280 203033126 /nfs/dbraw/zinc/03/31/26/203033126.db2.gz STPQNNMPVKQEQD-HZPDHXFCSA-N 1 2 306.312 1.984 40 0 DDABLO CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+]1C(C)C ZINC000257282740 203010681 /nfs/dbraw/zinc/01/06/81/203010681.db2.gz OVCJWZHWBSKFDC-INIZCTEOSA-N 1 2 317.433 1.286 40 0 DDABLO CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@H+]1C(C)C ZINC000257282740 203010683 /nfs/dbraw/zinc/01/06/83/203010683.db2.gz OVCJWZHWBSKFDC-INIZCTEOSA-N 1 2 317.433 1.286 40 0 DDABLO Cc1cc(N2CCC[C@H](Cc3cc(C(N)=O)ncn3)C2)nc[nH+]1 ZINC000257330582 203052797 /nfs/dbraw/zinc/05/27/97/203052797.db2.gz XOZOMYJSUAYBQQ-GFCCVEGCSA-N 1 2 312.377 1.133 40 0 DDABLO C[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)n1cc[nH+]c1 ZINC000019462094 182124719 /nfs/dbraw/zinc/12/47/19/182124719.db2.gz MMAMSOCZVUQDOI-UWVGGRQHSA-N 1 2 300.318 1.802 40 0 DDABLO O=C(C[N@@H+]1CC[C@H](C(=O)NC2CCCC2)C1)Nc1nccs1 ZINC000019747839 182143006 /nfs/dbraw/zinc/14/30/06/182143006.db2.gz LYMAVEXNJPLCJN-NSHDSACASA-N 1 2 322.434 1.462 40 0 DDABLO O=C(C[N@H+]1CC[C@H](C(=O)NC2CCCC2)C1)Nc1nccs1 ZINC000019747839 182143008 /nfs/dbraw/zinc/14/30/08/182143008.db2.gz LYMAVEXNJPLCJN-NSHDSACASA-N 1 2 322.434 1.462 40 0 DDABLO Cn1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)cn1 ZINC000096044897 407226679 /nfs/dbraw/zinc/22/66/79/407226679.db2.gz JEHPIVJWRARQMF-OAHLLOKOSA-N 1 2 315.421 1.680 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)cn1 ZINC000096044897 407226682 /nfs/dbraw/zinc/22/66/82/407226682.db2.gz JEHPIVJWRARQMF-OAHLLOKOSA-N 1 2 315.421 1.680 40 0 DDABLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060269 407231749 /nfs/dbraw/zinc/23/17/49/407231749.db2.gz DNPVBZPIFLHMAA-OAHLLOKOSA-N 1 2 315.421 1.772 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060269 407231751 /nfs/dbraw/zinc/23/17/51/407231751.db2.gz DNPVBZPIFLHMAA-OAHLLOKOSA-N 1 2 315.421 1.772 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC000096060894 407232151 /nfs/dbraw/zinc/23/21/51/407232151.db2.gz VSPWHUWPWJYVRI-HNNXBMFYSA-N 1 2 313.405 1.829 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC000096060894 407232153 /nfs/dbraw/zinc/23/21/53/407232153.db2.gz VSPWHUWPWJYVRI-HNNXBMFYSA-N 1 2 313.405 1.829 40 0 DDABLO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000257260848 407523242 /nfs/dbraw/zinc/52/32/42/407523242.db2.gz LESCVSGBHAUVKG-NSHDSACASA-N 1 2 307.398 1.496 40 0 DDABLO CCCS(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000248143320 408535968 /nfs/dbraw/zinc/53/59/68/408535968.db2.gz QWEJMXBKZYATML-OAHLLOKOSA-N 1 2 312.435 1.724 40 0 DDABLO CCCS(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000248143320 408535971 /nfs/dbraw/zinc/53/59/71/408535971.db2.gz QWEJMXBKZYATML-OAHLLOKOSA-N 1 2 312.435 1.724 40 0 DDABLO CC(C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329025661 410058788 /nfs/dbraw/zinc/05/87/88/410058788.db2.gz PHLNCSJORUSPEN-AWEZNQCLSA-N 1 2 313.405 1.794 40 0 DDABLO OCCNc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329066072 410083314 /nfs/dbraw/zinc/08/33/14/410083314.db2.gz XWRRQFUIIHPIFG-UHFFFAOYSA-N 1 2 321.384 1.399 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2cccs2)[nH+]1 ZINC000257251399 301024523 /nfs/dbraw/zinc/02/45/23/301024523.db2.gz JQPQIGYPNMMDCD-JTQLQIEISA-N 1 2 313.404 1.542 40 0 DDABLO OCCNc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000328958931 231399019 /nfs/dbraw/zinc/39/90/19/231399019.db2.gz AQSPRUWIYFMTMB-UHFFFAOYSA-N 1 2 306.316 1.624 40 0 DDABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1cc[nH]n1 ZINC000072392181 191148375 /nfs/dbraw/zinc/14/83/75/191148375.db2.gz GOGHBLOHZSPFHG-UHFFFAOYSA-N 1 2 316.361 1.373 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cnn(C)c1)[C@H]2C ZINC000585097448 354805192 /nfs/dbraw/zinc/80/51/92/354805192.db2.gz KDZDCYIWUGOPFP-LBPRGKRZSA-N 1 2 317.393 1.413 40 0 DDABLO CNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2cc(C)on2)C1 ZINC000585099118 354806714 /nfs/dbraw/zinc/80/67/14/354806714.db2.gz NFIQXDPYQZKUHP-ZDUSSCGKSA-N 1 2 302.378 1.553 40 0 DDABLO CNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2cc(C)on2)C1 ZINC000585099118 354806719 /nfs/dbraw/zinc/80/67/19/354806719.db2.gz NFIQXDPYQZKUHP-ZDUSSCGKSA-N 1 2 302.378 1.553 40 0 DDABLO Cc1cccc(C[C@]2(CO)CN(c3cc[nH+]c(C)n3)CCO2)c1 ZINC000585276371 354820577 /nfs/dbraw/zinc/82/05/77/354820577.db2.gz NMKUXCMFDYEEJD-GOSISDBHSA-N 1 2 313.401 1.904 40 0 DDABLO Cc1cc(N2CCO[C@@](CO)(Cc3ccccc3F)C2)nc[nH+]1 ZINC000585277769 354821750 /nfs/dbraw/zinc/82/17/50/354821750.db2.gz XTVITIVYLNOTMD-KRWDZBQOSA-N 1 2 317.364 1.735 40 0 DDABLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585278346 354822410 /nfs/dbraw/zinc/82/24/10/354822410.db2.gz REWDYWWLMIOMIB-INIZCTEOSA-N 1 2 319.336 1.134 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)[nH+]1 ZINC000257305212 203030382 /nfs/dbraw/zinc/03/03/82/203030382.db2.gz SOXSBZGNHLFOFH-AWEZNQCLSA-N 1 2 318.421 1.795 40 0 DDABLO COc1cccc(CC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257306767 203031251 /nfs/dbraw/zinc/03/12/51/203031251.db2.gz SVUHTIHWWGWMDI-OAHLLOKOSA-N 1 2 315.373 1.869 40 0 DDABLO Cc1ncoc1C(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257294925 203018571 /nfs/dbraw/zinc/01/85/71/203018571.db2.gz QWHOEIKHSCADNZ-MRXNPFEDSA-N 1 2 316.361 1.091 40 0 DDABLO Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257343166 203064047 /nfs/dbraw/zinc/06/40/47/203064047.db2.gz ZRTAFRRQQUHYGB-AWEZNQCLSA-N 1 2 313.405 1.749 40 0 DDABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc2c(c1)OCO2 ZINC000013679602 181878308 /nfs/dbraw/zinc/87/83/08/181878308.db2.gz UAINRIKYJYESPU-UHFFFAOYSA-N 1 2 304.375 1.989 40 0 DDABLO C[NH+]1CCN(C(=O)CSc2cnc3ccccc3n2)CC1 ZINC000019596988 182133063 /nfs/dbraw/zinc/13/30/63/182133063.db2.gz DLGNQBQOEOMTTR-UHFFFAOYSA-N 1 2 302.403 1.496 40 0 DDABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746855 182142168 /nfs/dbraw/zinc/14/21/68/182142168.db2.gz MOTVWMBFOCBTAQ-KRWDZBQOSA-N 1 2 320.437 1.378 40 0 DDABLO Cc1nn(C)cc1C[N@H+]1CCO[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746855 182142171 /nfs/dbraw/zinc/14/21/71/182142171.db2.gz MOTVWMBFOCBTAQ-KRWDZBQOSA-N 1 2 320.437 1.378 40 0 DDABLO CN(C)S(=O)(=O)CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000105393496 194102226 /nfs/dbraw/zinc/10/22/26/194102226.db2.gz HFDINTPRBBEWCS-UHFFFAOYSA-N 1 2 303.334 1.596 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@@H](C(=O)[O-])C[N@H+](C)C[C@H]3C2)cc1 ZINC000247963398 292100418 /nfs/dbraw/zinc/10/04/18/292100418.db2.gz GJBBABZNKMXDKN-IRXDYDNUSA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@@H](C(=O)[O-])C[N@@H+](C)C[C@H]3C2)cc1 ZINC000247963398 292100419 /nfs/dbraw/zinc/10/04/19/292100419.db2.gz GJBBABZNKMXDKN-IRXDYDNUSA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@@H+]2CCN3C[C@@H](C(=O)[O-])C[NH+](C)C[C@H]3C2)cc1 ZINC000247963398 292100421 /nfs/dbraw/zinc/10/04/21/292100421.db2.gz GJBBABZNKMXDKN-IRXDYDNUSA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@H+]2CCN3C[C@@H](C(=O)[O-])C[NH+](C)C[C@H]3C2)cc1 ZINC000247963398 292100422 /nfs/dbraw/zinc/10/04/22/292100422.db2.gz GJBBABZNKMXDKN-IRXDYDNUSA-N 1 2 317.433 1.127 40 0 DDABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccnc1 ZINC000023955864 406891584 /nfs/dbraw/zinc/89/15/84/406891584.db2.gz PUUBVVIWJMHEHN-UHFFFAOYSA-N 1 2 311.385 1.844 40 0 DDABLO CCOc1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000026505255 406904930 /nfs/dbraw/zinc/90/49/30/406904930.db2.gz XYOVHLOQDKPFIP-NEPJUHHUSA-N 1 2 312.416 1.739 40 0 DDABLO O=C([O-])C[N@@H+]1CCC[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096229373 407254130 /nfs/dbraw/zinc/25/41/30/407254130.db2.gz NCSAJUYJYVNHRZ-QGZVFWFLSA-N 1 2 319.405 1.081 40 0 DDABLO O=C([O-])C[N@H+]1CCC[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096229373 407254132 /nfs/dbraw/zinc/25/41/32/407254132.db2.gz NCSAJUYJYVNHRZ-QGZVFWFLSA-N 1 2 319.405 1.081 40 0 DDABLO O=C([O-])C[NH+]1CCC[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096229373 407254134 /nfs/dbraw/zinc/25/41/34/407254134.db2.gz NCSAJUYJYVNHRZ-QGZVFWFLSA-N 1 2 319.405 1.081 40 0 DDABLO O=C([O-])C[NH+]1CCC[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096229373 407254137 /nfs/dbraw/zinc/25/41/37/407254137.db2.gz NCSAJUYJYVNHRZ-QGZVFWFLSA-N 1 2 319.405 1.081 40 0 DDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cnn2cccnc12 ZINC000257221126 407504200 /nfs/dbraw/zinc/50/42/00/407504200.db2.gz DNPKDVVKKFOARO-ZDUSSCGKSA-N 1 2 322.372 1.523 40 0 DDABLO Cc1cccc(CN2CCO[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)n1 ZINC000257248864 407517321 /nfs/dbraw/zinc/51/73/21/407517321.db2.gz JFOAVQPOTJSOTA-INIZCTEOSA-N 1 2 315.421 1.748 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2C[N@H+](Cc3c[nH]cn3)CC[C@H]21 ZINC000257265511 407527080 /nfs/dbraw/zinc/52/70/80/407527080.db2.gz LYYMVHNVWBZJKB-GXTWGEPZSA-N 1 2 312.439 1.046 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2C[N@@H+](Cc3c[nH]cn3)CC[C@H]21 ZINC000257265511 407527083 /nfs/dbraw/zinc/52/70/83/407527083.db2.gz LYYMVHNVWBZJKB-GXTWGEPZSA-N 1 2 312.439 1.046 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2C[N@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000257265511 407527087 /nfs/dbraw/zinc/52/70/87/407527087.db2.gz LYYMVHNVWBZJKB-GXTWGEPZSA-N 1 2 312.439 1.046 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2C[N@@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000257265511 407527090 /nfs/dbraw/zinc/52/70/90/407527090.db2.gz LYYMVHNVWBZJKB-GXTWGEPZSA-N 1 2 312.439 1.046 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257291181 407533442 /nfs/dbraw/zinc/53/34/42/407533442.db2.gz QFZQSRDIHZVINX-CYBMUJFWSA-N 1 2 305.403 1.907 40 0 DDABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@H](C2CC2)n2cccc2)no1 ZINC000409439819 568413403 /nfs/dbraw/zinc/41/34/03/568413403.db2.gz IWESSQXBMZAYCH-NEPJUHHUSA-N 1 2 324.406 1.305 40 0 DDABLO c1[nH]c(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)c[nH+]1 ZINC000072322043 191121881 /nfs/dbraw/zinc/12/18/81/191121881.db2.gz PYHYLITWYPIFAU-HNNXBMFYSA-N 1 2 310.361 1.768 40 0 biogenic,in-vitro DDABLO c1[nH]cc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)[nH+]1 ZINC000072322043 191121884 /nfs/dbraw/zinc/12/18/84/191121884.db2.gz PYHYLITWYPIFAU-HNNXBMFYSA-N 1 2 310.361 1.768 40 0 biogenic,in-vitro DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000072388718 191147501 /nfs/dbraw/zinc/14/75/01/191147501.db2.gz HEYZYXOEKAEIBR-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072388718 191147504 /nfs/dbraw/zinc/14/75/04/191147504.db2.gz HEYZYXOEKAEIBR-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072388718 191147507 /nfs/dbraw/zinc/14/75/07/191147507.db2.gz HEYZYXOEKAEIBR-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO C[C@@H](c1ccccc1)n1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000004102750 181073446 /nfs/dbraw/zinc/07/34/46/181073446.db2.gz ZEQUEHXTJBUKHU-AWEZNQCLSA-N 1 2 324.388 1.904 40 0 DDABLO CCOc1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000136666976 354117888 /nfs/dbraw/zinc/11/78/88/354117888.db2.gz XYOVHLOQDKPFIP-VXGBXAGGSA-N 1 2 312.416 1.739 40 0 DDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cccnc1OC ZINC000585094890 354802984 /nfs/dbraw/zinc/80/29/84/354802984.db2.gz SISYMSNCQYIMAP-CQSZACIVSA-N 1 2 316.405 1.787 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)[nH+]1 ZINC000585181403 354817688 /nfs/dbraw/zinc/81/76/88/354817688.db2.gz QFYBZTKKWLDTCA-ZDUSSCGKSA-N 1 2 316.409 1.461 40 0 DDABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2ccccc2F)CCO1 ZINC000585276991 354820485 /nfs/dbraw/zinc/82/04/85/354820485.db2.gz TWYKARFSJOJKNW-QGZVFWFLSA-N 1 2 324.396 1.521 40 0 DDABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000585276991 354820489 /nfs/dbraw/zinc/82/04/89/354820489.db2.gz TWYKARFSJOJKNW-QGZVFWFLSA-N 1 2 324.396 1.521 40 0 DDABLO Cc1[nH]ncc1C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585293271 354826001 /nfs/dbraw/zinc/82/60/01/354826001.db2.gz TVDUWKPFONCWSO-BZUAXINKSA-N 1 2 321.808 1.693 40 0 DDABLO Cc1[nH]ncc1C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585293271 354826004 /nfs/dbraw/zinc/82/60/04/354826004.db2.gz TVDUWKPFONCWSO-BZUAXINKSA-N 1 2 321.808 1.693 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)[nH+]1 ZINC000257300421 203024993 /nfs/dbraw/zinc/02/49/93/203024993.db2.gz RUEJYRSETJHWRC-NSHDSACASA-N 1 2 301.350 1.542 40 0 DDABLO O=C(c1ccccn1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061819 407231717 /nfs/dbraw/zinc/23/17/17/407231717.db2.gz GCFHSKBPVNEWFT-UHFFFAOYSA-N 1 2 308.345 1.179 40 0 DDABLO c1csc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)c1 ZINC000096201130 407249062 /nfs/dbraw/zinc/24/90/62/407249062.db2.gz AYBQVBPOKKKUTH-UHFFFAOYSA-N 1 2 300.391 1.600 40 0 DDABLO CC(C)[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000108535027 407387434 /nfs/dbraw/zinc/38/74/34/407387434.db2.gz MNIKAIBOYSRSHR-GJZGRUSLSA-N 1 2 307.369 1.544 40 0 DDABLO CC(C)[N@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000108535027 407387435 /nfs/dbraw/zinc/38/74/35/407387435.db2.gz MNIKAIBOYSRSHR-GJZGRUSLSA-N 1 2 307.369 1.544 40 0 DDABLO O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257208838 407496620 /nfs/dbraw/zinc/49/66/20/407496620.db2.gz BNTVJZRIEZCTKR-BFYDXBDKSA-N 1 2 317.364 1.836 40 0 DDABLO O=C(COc1cccnc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257224249 407502695 /nfs/dbraw/zinc/50/26/95/407502695.db2.gz FAYFTRKQNXTXPJ-CQSZACIVSA-N 1 2 312.373 1.641 40 0 DDABLO CNc1cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257236355 407510962 /nfs/dbraw/zinc/51/09/62/407510962.db2.gz HBTXKLFYLNOGEF-AWEZNQCLSA-N 1 2 324.450 1.643 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2cnco2)CC[N@@H+]1C ZINC000257243424 407513760 /nfs/dbraw/zinc/51/37/60/407513760.db2.gz IGWZSYVTHVZWEY-CYBMUJFWSA-N 1 2 301.346 1.812 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2cnco2)CC[N@H+]1C ZINC000257243424 407513767 /nfs/dbraw/zinc/51/37/67/407513767.db2.gz IGWZSYVTHVZWEY-CYBMUJFWSA-N 1 2 301.346 1.812 40 0 DDABLO Clc1cc(NCC[NH+]2CCOCC2)nc(-c2cccnc2)n1 ZINC000328990331 410040784 /nfs/dbraw/zinc/04/07/84/410040784.db2.gz INOGEITZFNZAJC-UHFFFAOYSA-N 1 2 319.796 1.936 40 0 DDABLO O=C(C1CCC1)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000585096045 354804161 /nfs/dbraw/zinc/80/41/61/354804161.db2.gz OPWZPZAUQOPABD-CQSZACIVSA-N 1 2 318.377 1.121 40 0 DDABLO Cc1ccc(OC[C@]2(O)COCCN(Cc3[nH]cc[nH+]3)C2)cc1 ZINC000585277793 354821261 /nfs/dbraw/zinc/82/12/61/354821261.db2.gz XYGWOAAVTZTZBW-QGZVFWFLSA-N 1 2 317.389 1.360 40 0 DDABLO COc1cc(C(=O)NCCc2c[nH+]c[nH]2)cc(OC)c1OC ZINC000006693984 181370824 /nfs/dbraw/zinc/37/08/24/181370824.db2.gz PNUFLCXOJXKLEC-UHFFFAOYSA-N 1 2 305.334 1.408 40 0 DDABLO COc1cc(C(=O)NCCc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000006693984 181370827 /nfs/dbraw/zinc/37/08/27/181370827.db2.gz PNUFLCXOJXKLEC-UHFFFAOYSA-N 1 2 305.334 1.408 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2csc(C)n2)[nH+]1 ZINC000257272486 203002834 /nfs/dbraw/zinc/00/28/34/203002834.db2.gz NCOTULDIMKXWDZ-GFCCVEGCSA-N 1 2 306.391 1.626 40 0 DDABLO CC(=O)N(C)[C@@H]1CCOC2(CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000257297698 203023076 /nfs/dbraw/zinc/02/30/76/203023076.db2.gz RINDGWPKMWIHQI-OAHLLOKOSA-N 1 2 318.421 1.781 40 0 DDABLO Fc1ccc(OCCc2cc([C@@H]3C[NH2+]CCO3)n[nH]2)cc1F ZINC000257293523 203019705 /nfs/dbraw/zinc/01/97/05/203019705.db2.gz QPWKHGWCPNYBJG-HNNXBMFYSA-N 1 2 309.316 1.970 40 0 DDABLO Cc1cc([C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)ccn1 ZINC000257321626 203046452 /nfs/dbraw/zinc/04/64/52/203046452.db2.gz WCKOZBFLNOXVRM-OAHLLOKOSA-N 1 2 300.362 1.577 40 0 DDABLO Cc1nc(N2CCC[C@@H](Cc3cc(C(N)=O)ncn3)C2)cc[nH+]1 ZINC000257337804 203060007 /nfs/dbraw/zinc/06/00/07/203060007.db2.gz YULZRDKRTDQTPV-LBPRGKRZSA-N 1 2 312.377 1.133 40 0 DDABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCN(C=O)CC1 ZINC000072222642 257123827 /nfs/dbraw/zinc/12/38/27/257123827.db2.gz RCHACGCETFSENW-KRWDZBQOSA-N 1 2 311.385 1.750 40 0 DDABLO Cn1cc[nH+]c1CN1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 ZINC000077266905 406981859 /nfs/dbraw/zinc/98/18/59/406981859.db2.gz JYNHAZZQBUTQFM-OAHLLOKOSA-N 1 2 317.437 1.675 40 0 biogenic,in-vitro DDABLO c1ncc(C[N@@H+]2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218553 407251820 /nfs/dbraw/zinc/25/18/20/407251820.db2.gz ADBODCDKPQXQIV-JKSUJKDBSA-N 1 2 300.362 1.617 40 0 DDABLO c1ncc(C[N@H+]2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218553 407251821 /nfs/dbraw/zinc/25/18/21/407251821.db2.gz ADBODCDKPQXQIV-JKSUJKDBSA-N 1 2 300.362 1.617 40 0 DDABLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1)N1CCCO1 ZINC000096057693 407230778 /nfs/dbraw/zinc/23/07/78/407230778.db2.gz TUZOIFAIDYCHDW-YNEHKIRRSA-N 1 2 323.418 1.286 40 0 DDABLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1)N1CCCO1 ZINC000096057693 407230782 /nfs/dbraw/zinc/23/07/82/407230782.db2.gz TUZOIFAIDYCHDW-YNEHKIRRSA-N 1 2 323.418 1.286 40 0 DDABLO c1cc(C[N@@H+]2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ccn1 ZINC000096183366 407243136 /nfs/dbraw/zinc/24/31/36/407243136.db2.gz WJZCSFWLMAHCAB-JKSUJKDBSA-N 1 2 311.389 1.209 40 0 DDABLO c1cc(C[N@H+]2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ccn1 ZINC000096183366 407243138 /nfs/dbraw/zinc/24/31/38/407243138.db2.gz WJZCSFWLMAHCAB-JKSUJKDBSA-N 1 2 311.389 1.209 40 0 DDABLO O=C(NCc1cnc2n1CC[N@@H+](Cc1ccncc1)C2)C1CC1 ZINC000096201175 407248592 /nfs/dbraw/zinc/24/85/92/407248592.db2.gz OTGQSRVLANXIKK-UHFFFAOYSA-N 1 2 311.389 1.320 40 0 DDABLO O=C(NCc1cnc2n1CC[N@H+](Cc1ccncc1)C2)C1CC1 ZINC000096201175 407248593 /nfs/dbraw/zinc/24/85/93/407248593.db2.gz OTGQSRVLANXIKK-UHFFFAOYSA-N 1 2 311.389 1.320 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccccc2)[nH+]1 ZINC000257210059 407497999 /nfs/dbraw/zinc/49/79/99/407497999.db2.gz BSYSWGDHASNHBR-AWEZNQCLSA-N 1 2 301.346 1.697 40 0 DDABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cc[nH+]c1 ZINC000257216965 407500790 /nfs/dbraw/zinc/50/07/90/407500790.db2.gz CWWKYVSTMXFNKV-QSJFSLAZSA-N 1 2 316.405 1.274 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH+]1 ZINC000257236530 407510027 /nfs/dbraw/zinc/51/00/27/407510027.db2.gz HCPJSSHDOIULTA-LLVKDONJSA-N 1 2 309.395 1.286 40 0 DDABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2cccnc2)c[nH]1 ZINC000225400198 407581086 /nfs/dbraw/zinc/58/10/86/407581086.db2.gz NBIHDILVKPJATQ-HNNXBMFYSA-N 1 2 324.388 1.779 40 0 biogenic,in-vitro DDABLO CC(C)(C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)n1cncn1 ZINC000257242769 407513150 /nfs/dbraw/zinc/51/31/50/407513150.db2.gz IEBLBJARJWSVRS-CYBMUJFWSA-N 1 2 314.393 1.193 40 0 DDABLO COc1cc(CCC(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)on1 ZINC000257271862 407529935 /nfs/dbraw/zinc/52/99/35/407529935.db2.gz NACKSLFFRVLFBK-GFCCVEGCSA-N 1 2 318.377 1.674 40 0 DDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@@H](C2CC2)n2cccc2)no1 ZINC000409439823 568413395 /nfs/dbraw/zinc/41/33/95/568413395.db2.gz IWESSQXBMZAYCH-NWDGAFQWSA-N 1 2 324.406 1.305 40 0 DDABLO Cn1cc(C[N@H+]2Cc3cncn3[C@@H](COCC3CC3)C2)cn1 ZINC000306130932 231085571 /nfs/dbraw/zinc/08/55/71/231085571.db2.gz JSUNQQNJYWEQRM-MRXNPFEDSA-N 1 2 301.394 1.600 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3cncn3[C@@H](COCC3CC3)C2)cn1 ZINC000306130932 231085574 /nfs/dbraw/zinc/08/55/74/231085574.db2.gz JSUNQQNJYWEQRM-MRXNPFEDSA-N 1 2 301.394 1.600 40 0 DDABLO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(C)(C)CN1CC[NH+](C)CC1 ZINC000072324697 191123570 /nfs/dbraw/zinc/12/35/70/191123570.db2.gz JYFPATKCZICVIM-SJORKVTESA-N 1 2 308.514 1.429 40 0 DDABLO CNc1cccc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)[nH+]1 ZINC000072364564 191132684 /nfs/dbraw/zinc/13/26/84/191132684.db2.gz CMNXRRVAGLJGOX-NSHDSACASA-N 1 2 321.406 1.415 40 0 DDABLO COCCNc1cccc([C@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072364902 191133989 /nfs/dbraw/zinc/13/39/89/191133989.db2.gz NFWCANJKNDJGNW-LBPRGKRZSA-N 1 2 313.423 1.279 40 0 DDABLO CNC(=O)c1c[nH]nc1C1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000072388873 191148574 /nfs/dbraw/zinc/14/85/74/191148574.db2.gz XKDKWSSBXSXOGW-UHFFFAOYSA-N 1 2 314.393 1.426 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cccnc1OC ZINC000585094963 354804471 /nfs/dbraw/zinc/80/44/71/354804471.db2.gz XFTBEEGIEVNYBM-CYBMUJFWSA-N 1 2 302.378 1.397 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1c[nH]c(C)n1)[C@H]2C ZINC000585098721 354806001 /nfs/dbraw/zinc/80/60/01/354806001.db2.gz XXYDWHQCYBFOBS-JTQLQIEISA-N 1 2 303.366 1.321 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)[nH+]1 ZINC000257277472 203005914 /nfs/dbraw/zinc/00/59/14/203005914.db2.gz NYCUFIKIPCYPBG-AWEZNQCLSA-N 1 2 310.361 1.977 40 0 DDABLO Cc1ocnc1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257265907 202997004 /nfs/dbraw/zinc/99/70/04/202997004.db2.gz MAWCPDGNBPHXQM-INIZCTEOSA-N 1 2 316.361 1.091 40 0 DDABLO c1cc2c(C[C@H]3COCC[N@H+](Cc4c[nH]cn4)C3)nccn2c1 ZINC000257300232 203025341 /nfs/dbraw/zinc/02/53/41/203025341.db2.gz RTPALFAVXAQRAI-CQSZACIVSA-N 1 2 311.389 1.749 40 0 DDABLO c1cc2c(C[C@H]3COCC[N@@H+](Cc4c[nH]cn4)C3)nccn2c1 ZINC000257300232 203025344 /nfs/dbraw/zinc/02/53/44/203025344.db2.gz RTPALFAVXAQRAI-CQSZACIVSA-N 1 2 311.389 1.749 40 0 DDABLO c1cc2c(C[C@H]3COCC[N@H+](Cc4cnc[nH]4)C3)nccn2c1 ZINC000257300232 203025348 /nfs/dbraw/zinc/02/53/48/203025348.db2.gz RTPALFAVXAQRAI-CQSZACIVSA-N 1 2 311.389 1.749 40 0 DDABLO c1cc2c(C[C@H]3COCC[N@@H+](Cc4cnc[nH]4)C3)nccn2c1 ZINC000257300232 203025352 /nfs/dbraw/zinc/02/53/52/203025352.db2.gz RTPALFAVXAQRAI-CQSZACIVSA-N 1 2 311.389 1.749 40 0 DDABLO CC(C)Oc1ccc([C@H]2CN(S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000257302228 203028236 /nfs/dbraw/zinc/02/82/36/203028236.db2.gz SCAFDUOJKDLGET-OAHLLOKOSA-N 1 2 312.435 1.722 40 0 DDABLO CC(C)Oc1ccc([C@H]2CN(S(C)(=O)=O)CC[N@H+]2C)cc1 ZINC000257302228 203028240 /nfs/dbraw/zinc/02/82/40/203028240.db2.gz SCAFDUOJKDLGET-OAHLLOKOSA-N 1 2 312.435 1.722 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000019074438 182103659 /nfs/dbraw/zinc/10/36/59/182103659.db2.gz SDQAYFQPHSXEJS-UHFFFAOYSA-N 1 2 302.296 1.767 40 0 DDABLO CCC(=O)N1c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2C[C@H]1C ZINC000019499223 182125985 /nfs/dbraw/zinc/12/59/85/182125985.db2.gz IDBPPVFYGJUNHH-DYVFJYSZSA-N 1 2 318.417 1.740 40 0 DDABLO CCn1cc[nH+]c1CN1CC(C(=O)Nc2cccc(OC)c2)C1 ZINC000019747661 182142780 /nfs/dbraw/zinc/14/27/80/182142780.db2.gz FWIZGNPOLRSQRL-UHFFFAOYSA-N 1 2 314.389 1.982 40 0 DDABLO C[NH+]1CCN(C(=O)CSc2nncc3ccccc32)CC1 ZINC000033940548 406964326 /nfs/dbraw/zinc/96/43/26/406964326.db2.gz LBGXGQOGMVMZIT-UHFFFAOYSA-N 1 2 302.403 1.496 40 0 DDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)o1 ZINC000096253219 407256864 /nfs/dbraw/zinc/25/68/64/407256864.db2.gz LYUHERAZLPIACH-OWCLPIDISA-N 1 2 320.389 1.036 40 0 DDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)o1 ZINC000096253219 407256867 /nfs/dbraw/zinc/25/68/67/407256867.db2.gz LYUHERAZLPIACH-OWCLPIDISA-N 1 2 320.389 1.036 40 0 DDABLO O=C(c1ccsc1)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096061920 407232166 /nfs/dbraw/zinc/23/21/66/407232166.db2.gz IECPDHDTVKQLKB-UHFFFAOYSA-N 1 2 314.374 1.240 40 0 DDABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@H+](Cc3ccccn3)C2)c1 ZINC000096188545 407245642 /nfs/dbraw/zinc/24/56/42/407245642.db2.gz YWLMCBPDCOJTDQ-HNNXBMFYSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@@H+](Cc3ccccn3)C2)c1 ZINC000096188545 407245643 /nfs/dbraw/zinc/24/56/43/407245643.db2.gz YWLMCBPDCOJTDQ-HNNXBMFYSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@@H]2Cn3cc[nH+]c3CN(Cc3ccccn3)C2)c1 ZINC000096188545 407245645 /nfs/dbraw/zinc/24/56/45/407245645.db2.gz YWLMCBPDCOJTDQ-HNNXBMFYSA-N 1 2 308.389 1.807 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000107264029 407371895 /nfs/dbraw/zinc/37/18/95/407371895.db2.gz DGUFJGUDAXPWRP-IIAWOOMASA-N 1 2 319.405 1.503 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000107264029 407371896 /nfs/dbraw/zinc/37/18/96/407371896.db2.gz DGUFJGUDAXPWRP-IIAWOOMASA-N 1 2 319.405 1.503 40 0 DDABLO CNc1nccnc1C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257234242 407509143 /nfs/dbraw/zinc/50/91/43/407509143.db2.gz GSSRKUMWTCLWJF-ZDUSSCGKSA-N 1 2 314.393 1.196 40 0 DDABLO CCc1noc(CCC(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257213240 407497715 /nfs/dbraw/zinc/49/77/15/407497715.db2.gz CGSXZWLGRNRZCM-GFCCVEGCSA-N 1 2 317.393 1.623 40 0 DDABLO OCCOc1cccc(C[N@@H+]2CCO[C@H](c3cnccn3)C2)c1 ZINC000257240570 407515337 /nfs/dbraw/zinc/51/53/37/407515337.db2.gz HUDNMLKXYGEIQI-KRWDZBQOSA-N 1 2 315.373 1.421 40 0 DDABLO OCCOc1cccc(C[N@H+]2CCO[C@H](c3cnccn3)C2)c1 ZINC000257240570 407515343 /nfs/dbraw/zinc/51/53/43/407515343.db2.gz HUDNMLKXYGEIQI-KRWDZBQOSA-N 1 2 315.373 1.421 40 0 DDABLO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc3n2CC[NH2+]C3)C1 ZINC000257260847 407523955 /nfs/dbraw/zinc/52/39/55/407523955.db2.gz LESCVSGBHAUVKG-LLVKDONJSA-N 1 2 307.398 1.496 40 0 DDABLO CNc1cc(C)nc([C@@H]2COCCN2Cc2[nH+]ccn2C)n1 ZINC000257259258 407523994 /nfs/dbraw/zinc/52/39/94/407523994.db2.gz KXNKEGWDOHXGJD-LBPRGKRZSA-N 1 2 302.382 1.134 40 0 DDABLO O=C(CN1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1)N1CCCC1 ZINC000247759124 408508766 /nfs/dbraw/zinc/50/87/66/408508766.db2.gz GGDVDDNCIQGEQM-MRXNPFEDSA-N 1 2 318.421 1.289 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@@H](C(=O)[O-])C[N@H+](C)C[C@@H]3C2)cc1 ZINC000247963393 408518494 /nfs/dbraw/zinc/51/84/94/408518494.db2.gz GJBBABZNKMXDKN-DLBZAZTESA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@@H](C(=O)[O-])C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000247963393 408518498 /nfs/dbraw/zinc/51/84/98/408518498.db2.gz GJBBABZNKMXDKN-DLBZAZTESA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@@H+]2CCN3C[C@@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)cc1 ZINC000247963393 408518503 /nfs/dbraw/zinc/51/85/03/408518503.db2.gz GJBBABZNKMXDKN-DLBZAZTESA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@H+]2CCN3C[C@@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)cc1 ZINC000247963393 408518506 /nfs/dbraw/zinc/51/85/06/408518506.db2.gz GJBBABZNKMXDKN-DLBZAZTESA-N 1 2 317.433 1.127 40 0 DDABLO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000247958941 408519474 /nfs/dbraw/zinc/51/94/74/408519474.db2.gz DSNTXMHWJRZDTD-LBPRGKRZSA-N 1 2 304.419 1.669 40 0 DDABLO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000247958941 408519478 /nfs/dbraw/zinc/51/94/78/408519478.db2.gz DSNTXMHWJRZDTD-LBPRGKRZSA-N 1 2 304.419 1.669 40 0 DDABLO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000192586713 408614182 /nfs/dbraw/zinc/61/41/82/408614182.db2.gz JVKAPEUKKDKWFT-HUUCEWRRSA-N 1 2 320.437 1.596 40 0 DDABLO Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000192586713 408614187 /nfs/dbraw/zinc/61/41/87/408614187.db2.gz JVKAPEUKKDKWFT-HUUCEWRRSA-N 1 2 320.437 1.596 40 0 DDABLO COc1ccc(C[N@@H+](Cc2ncc[nH]2)C[C@H](C)O)cc1OC ZINC000019455999 295127940 /nfs/dbraw/zinc/12/79/40/295127940.db2.gz QBIUMJFRPRZFSH-LBPRGKRZSA-N 1 2 305.378 1.810 40 0 DDABLO COc1ccc(C[N@H+](Cc2ncc[nH]2)C[C@H](C)O)cc1OC ZINC000019455999 295127943 /nfs/dbraw/zinc/12/79/43/295127943.db2.gz QBIUMJFRPRZFSH-LBPRGKRZSA-N 1 2 305.378 1.810 40 0 DDABLO COc1ccc(CN(Cc2[nH]cc[nH+]2)C[C@H](C)O)cc1OC ZINC000019455999 295127946 /nfs/dbraw/zinc/12/79/46/295127946.db2.gz QBIUMJFRPRZFSH-LBPRGKRZSA-N 1 2 305.378 1.810 40 0 DDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NC2CCCC2)C1 ZINC000585096110 354804387 /nfs/dbraw/zinc/80/43/87/354804387.db2.gz RRFYXVXNPSUAFO-KCPJHIHWSA-N 1 2 316.405 1.481 40 0 DDABLO O=C(NC1CCCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095939 354804460 /nfs/dbraw/zinc/80/44/60/354804460.db2.gz FJBGZZIPBOZLOT-HNNXBMFYSA-N 1 2 316.405 1.625 40 0 DDABLO O=C1CCCN1C[C@H]1CCn2nccc2C[N@@H+]1Cc1cn[nH]c1 ZINC000585097154 354804635 /nfs/dbraw/zinc/80/46/35/354804635.db2.gz HXCMBJUGHJIZFA-CQSZACIVSA-N 1 2 314.393 1.003 40 0 DDABLO O=C1CCCN1C[C@H]1CCn2nccc2C[N@H+]1Cc1cn[nH]c1 ZINC000585097154 354804639 /nfs/dbraw/zinc/80/46/39/354804639.db2.gz HXCMBJUGHJIZFA-CQSZACIVSA-N 1 2 314.393 1.003 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cnn(C)c1)[C@@H]2C ZINC000585097445 354804817 /nfs/dbraw/zinc/80/48/17/354804817.db2.gz KDZDCYIWUGOPFP-GFCCVEGCSA-N 1 2 317.393 1.413 40 0 DDABLO CCc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257257879 202991278 /nfs/dbraw/zinc/99/12/78/202991278.db2.gz KRLWBEKANJADGP-KBPBESRZSA-N 1 2 318.377 1.580 40 0 DDABLO Cc1noc(C)c1-c1cccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000257288481 203015246 /nfs/dbraw/zinc/01/52/46/203015246.db2.gz PUJDVUHHWUESJE-UHFFFAOYSA-N 1 2 300.362 1.741 40 0 DDABLO OCC[N@@H+]1CCO[C@@H](COc2ccccc2Br)C1 ZINC000217496230 257132666 /nfs/dbraw/zinc/13/26/66/257132666.db2.gz GRWMIPHQVNRYJN-LLVKDONJSA-N 1 2 316.195 1.521 40 0 DDABLO OCC[N@H+]1CCO[C@@H](COc2ccccc2Br)C1 ZINC000217496230 257132667 /nfs/dbraw/zinc/13/26/67/257132667.db2.gz GRWMIPHQVNRYJN-LLVKDONJSA-N 1 2 316.195 1.521 40 0 DDABLO COc1ccc(O[C@H]2COCCN(Cc3[nH+]ccn3C)C2)cc1 ZINC000085435996 407101615 /nfs/dbraw/zinc/10/16/15/407101615.db2.gz CENIXISVUSMIRF-MRXNPFEDSA-N 1 2 317.389 1.709 40 0 biogenic,in-vitro DDABLO COc1ccc(O[C@H]2COCC[N@H+](Cc3nccn3C)C2)cc1 ZINC000085435996 407101618 /nfs/dbraw/zinc/10/16/18/407101618.db2.gz CENIXISVUSMIRF-MRXNPFEDSA-N 1 2 317.389 1.709 40 0 biogenic,in-vitro DDABLO COc1ccc(O[C@H]2COCC[N@@H+](Cc3nccn3C)C2)cc1 ZINC000085435996 407101622 /nfs/dbraw/zinc/10/16/22/407101622.db2.gz CENIXISVUSMIRF-MRXNPFEDSA-N 1 2 317.389 1.709 40 0 biogenic,in-vitro DDABLO O=C(c1ccncc1)N1CCO[C@@H]2[C@@H](Cn3cc[nH+]c3)CC[C@@H]21 ZINC000096250243 407255801 /nfs/dbraw/zinc/25/58/01/407255801.db2.gz MHCKZNFMOWLRLB-OWCLPIDISA-N 1 2 312.373 1.598 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096040968 407225535 /nfs/dbraw/zinc/22/55/35/407225535.db2.gz DWNQGTTXCGSURF-IHRRRGAJSA-N 1 2 321.446 1.649 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096040968 407225536 /nfs/dbraw/zinc/22/55/36/407225536.db2.gz DWNQGTTXCGSURF-IHRRRGAJSA-N 1 2 321.446 1.649 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCC4CC4)O[C@@H]3C2)no1 ZINC000096042901 407225968 /nfs/dbraw/zinc/22/59/68/407225968.db2.gz KPCPYBZNXQKJKP-CWRNSKLLSA-N 1 2 319.405 1.489 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCC4CC4)O[C@@H]3C2)no1 ZINC000096042901 407225969 /nfs/dbraw/zinc/22/59/69/407225969.db2.gz KPCPYBZNXQKJKP-CWRNSKLLSA-N 1 2 319.405 1.489 40 0 DDABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)N1CCCC1)C2 ZINC000096060260 407231474 /nfs/dbraw/zinc/23/14/74/407231474.db2.gz ZMCDCZZALMXFRY-AWEZNQCLSA-N 1 2 318.421 1.962 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccco1 ZINC000096062094 407232176 /nfs/dbraw/zinc/23/21/76/407232176.db2.gz WJGUPCIKPVXSQH-LLVKDONJSA-N 1 2 312.333 1.333 40 0 DDABLO CC[N@@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185154 407244286 /nfs/dbraw/zinc/24/42/86/407244286.db2.gz PTKNHFYXXPPUNT-DOMZBBRYSA-N 1 2 309.435 1.762 40 0 DDABLO CC[N@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185154 407244288 /nfs/dbraw/zinc/24/42/88/407244288.db2.gz PTKNHFYXXPPUNT-DOMZBBRYSA-N 1 2 309.435 1.762 40 0 DDABLO CC[NH+]1C[C@@H]2C[N@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185154 407244290 /nfs/dbraw/zinc/24/42/90/407244290.db2.gz PTKNHFYXXPPUNT-DOMZBBRYSA-N 1 2 309.435 1.762 40 0 DDABLO CC[NH+]1C[C@@H]2C[N@@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185154 407244293 /nfs/dbraw/zinc/24/42/93/407244293.db2.gz PTKNHFYXXPPUNT-DOMZBBRYSA-N 1 2 309.435 1.762 40 0 DDABLO O=C(c1[nH]nc2c1C[N@H+](Cc1ccco1)CC2)N1CCOCC1 ZINC000096187396 407245498 /nfs/dbraw/zinc/24/54/98/407245498.db2.gz JKXAPOQVHNDQEJ-UHFFFAOYSA-N 1 2 316.361 1.033 40 0 DDABLO O=C(c1[nH]nc2c1C[N@@H+](Cc1ccco1)CC2)N1CCOCC1 ZINC000096187396 407245500 /nfs/dbraw/zinc/24/55/00/407245500.db2.gz JKXAPOQVHNDQEJ-UHFFFAOYSA-N 1 2 316.361 1.033 40 0 DDABLO c1csc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188609 407246122 /nfs/dbraw/zinc/24/61/22/407246122.db2.gz GGSSJUNGJNXWII-ZDUSSCGKSA-N 1 2 314.418 1.868 40 0 DDABLO c1csc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188609 407246125 /nfs/dbraw/zinc/24/61/25/407246125.db2.gz GGSSJUNGJNXWII-ZDUSSCGKSA-N 1 2 314.418 1.868 40 0 DDABLO C[N@@H+]1CCN(C(=O)C(C)(C)n2cncn2)C[C@H]1c1ccccc1 ZINC000257208801 407497426 /nfs/dbraw/zinc/49/74/26/407497426.db2.gz BNQJMZMRHGAANR-HNNXBMFYSA-N 1 2 313.405 1.529 40 0 DDABLO C[N@H+]1CCN(C(=O)C(C)(C)n2cncn2)C[C@H]1c1ccccc1 ZINC000257208801 407497431 /nfs/dbraw/zinc/49/74/31/407497431.db2.gz BNQJMZMRHGAANR-HNNXBMFYSA-N 1 2 313.405 1.529 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257331508 407533453 /nfs/dbraw/zinc/53/34/53/407533453.db2.gz XTDPIUCGMUBCFR-CYBMUJFWSA-N 1 2 300.366 1.173 40 0 DDABLO CC(=O)N(C)[C@H]1CCOC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000257340018 407534692 /nfs/dbraw/zinc/53/46/92/407534692.db2.gz ZEDLTETUKOOALR-HNNXBMFYSA-N 1 2 318.421 1.781 40 0 DDABLO C[NH+]1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 ZINC000225735930 407603253 /nfs/dbraw/zinc/60/32/53/407603253.db2.gz CBZCDAMXQMBXJY-UHFFFAOYSA-N 1 2 319.792 1.429 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)NC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000248008936 408524962 /nfs/dbraw/zinc/52/49/62/408524962.db2.gz DCJLEAIIJOFWNW-ZDUSSCGKSA-N 1 2 316.430 1.860 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)NC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000248008936 408524968 /nfs/dbraw/zinc/52/49/68/408524968.db2.gz DCJLEAIIJOFWNW-ZDUSSCGKSA-N 1 2 316.430 1.860 40 0 DDABLO COCCCNC(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306144798 409773407 /nfs/dbraw/zinc/77/34/07/409773407.db2.gz ZOUIMIRWWPFWFN-AWEZNQCLSA-N 1 2 316.405 1.867 40 0 DDABLO COCCCNC(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306144798 409773416 /nfs/dbraw/zinc/77/34/16/409773416.db2.gz ZOUIMIRWWPFWFN-AWEZNQCLSA-N 1 2 316.405 1.867 40 0 DDABLO OCCNc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000329043078 410070756 /nfs/dbraw/zinc/07/07/56/410070756.db2.gz SQXSKXZJUSVUMF-UHFFFAOYSA-N 1 2 321.384 1.399 40 0 DDABLO CC(=O)N1CCCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000257232269 275760861 /nfs/dbraw/zinc/76/08/61/275760861.db2.gz GKBVAPYEGYKQNR-HZPDHXFCSA-N 1 2 318.421 1.523 40 0 DDABLO C[C@@H]1c2ncc(Cn3cncn3)n2CC[N@@H+]1C1CCOCC1 ZINC000096201288 279144558 /nfs/dbraw/zinc/14/45/58/279144558.db2.gz MZLDPDORXRBAMB-GFCCVEGCSA-N 1 2 302.382 1.079 40 0 DDABLO C[C@@H]1c2ncc(Cn3cncn3)n2CC[N@H+]1C1CCOCC1 ZINC000096201288 279144560 /nfs/dbraw/zinc/14/45/60/279144560.db2.gz MZLDPDORXRBAMB-GFCCVEGCSA-N 1 2 302.382 1.079 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360938 191132200 /nfs/dbraw/zinc/13/22/00/191132200.db2.gz VOCFLJNEMBHYRP-GFCCVEGCSA-N 1 2 312.377 1.280 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360938 191132202 /nfs/dbraw/zinc/13/22/02/191132202.db2.gz VOCFLJNEMBHYRP-GFCCVEGCSA-N 1 2 312.377 1.280 40 0 DDABLO CC(=O)N1CC[N@H+](CCO)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072367770 191136915 /nfs/dbraw/zinc/13/69/15/191136915.db2.gz XQFQHIRKGUSSOY-AWEZNQCLSA-N 1 2 316.323 1.903 40 0 DDABLO CC(=O)N1CC[N@@H+](CCO)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072367770 191136916 /nfs/dbraw/zinc/13/69/16/191136916.db2.gz XQFQHIRKGUSSOY-AWEZNQCLSA-N 1 2 316.323 1.903 40 0 DDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1Cc1c(C)noc1C ZINC000585094775 354802845 /nfs/dbraw/zinc/80/28/45/354802845.db2.gz LYUAWHCHLBITJM-CYBMUJFWSA-N 1 2 304.394 1.988 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)[C@H]1CCCS1)[C@@H]2C ZINC000585098706 354805933 /nfs/dbraw/zinc/80/59/33/354805933.db2.gz XQUMVUCGGSMPAN-DGCLKSJQSA-N 1 2 309.435 1.871 40 0 DDABLO OC[C@]1(Cc2ccccc2F)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585277369 354821629 /nfs/dbraw/zinc/82/16/29/354821629.db2.gz VLMLFGJDXPIGPI-INIZCTEOSA-N 1 2 305.353 1.355 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc[nH+]1 ZINC000257206072 202943003 /nfs/dbraw/zinc/94/30/03/202943003.db2.gz BBRLOQYCZOWYQW-OAHLLOKOSA-N 1 2 313.405 1.750 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCC2(CC1)OCCC[C@H]2O ZINC000257296754 203020999 /nfs/dbraw/zinc/02/09/99/203020999.db2.gz REGKPXCEKDJVFW-CQSZACIVSA-N 1 2 307.394 1.196 40 0 DDABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)cnn1C ZINC000257308220 203031662 /nfs/dbraw/zinc/03/16/62/203031662.db2.gz TVWRXGLRRRATOO-CQSZACIVSA-N 1 2 303.366 1.106 40 0 DDABLO Cc1c(C[N@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)cnn1C ZINC000257308220 203031666 /nfs/dbraw/zinc/03/16/66/203031666.db2.gz TVWRXGLRRRATOO-CQSZACIVSA-N 1 2 303.366 1.106 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)[nH+]1 ZINC000257307990 203031990 /nfs/dbraw/zinc/03/19/90/203031990.db2.gz TUZUSTSTPIDTLJ-HNNXBMFYSA-N 1 2 315.421 1.719 40 0 DDABLO CN([C@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)N1CCCC1 ZINC000257332584 203055238 /nfs/dbraw/zinc/05/52/38/203055238.db2.gz XXXWEKZWUAAMJP-AWEZNQCLSA-N 1 2 324.450 1.323 40 0 DDABLO CC[C@@H](Oc1ccccc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000019933829 182167019 /nfs/dbraw/zinc/16/70/19/182167019.db2.gz KQLFZVYDTCOZKT-OAHLLOKOSA-N 1 2 306.406 1.601 40 0 DDABLO Cc1cccc(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)c1C ZINC000020106266 182186776 /nfs/dbraw/zinc/18/67/76/182186776.db2.gz AIUZNXPGKRXAQO-HNNXBMFYSA-N 1 2 306.406 1.519 40 0 DDABLO NC(=O)C1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038854087 183010998 /nfs/dbraw/zinc/01/09/98/183010998.db2.gz JHXSPNWWEOVZPA-UHFFFAOYSA-N 1 2 312.373 1.269 40 0 DDABLO O=C(NC[NH+]1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 ZINC000055175227 183968827 /nfs/dbraw/zinc/96/88/27/183968827.db2.gz YKKSBMWONAQMKO-UHFFFAOYSA-N 1 2 310.781 1.866 40 0 DDABLO Cc1[nH+]c(N2CCN(C=O)CC2)ccc1C(=O)c1ccccc1 ZINC000072224723 257123766 /nfs/dbraw/zinc/12/37/66/257123766.db2.gz OSEZUQCRGSGSPN-UHFFFAOYSA-N 1 2 309.369 1.899 40 0 DDABLO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000014400064 406875275 /nfs/dbraw/zinc/87/52/75/406875275.db2.gz VKYCQGVHVYHBSM-MRXNPFEDSA-N 1 2 322.405 1.301 40 0 DDABLO c1ncc(C[N@@H+]2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218550 407252025 /nfs/dbraw/zinc/25/20/25/407252025.db2.gz ADBODCDKPQXQIV-HZPDHXFCSA-N 1 2 300.362 1.617 40 0 DDABLO c1ncc(C[N@H+]2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218550 407252026 /nfs/dbraw/zinc/25/20/26/407252026.db2.gz ADBODCDKPQXQIV-HZPDHXFCSA-N 1 2 300.362 1.617 40 0 DDABLO CN(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096048970 407227199 /nfs/dbraw/zinc/22/71/99/407227199.db2.gz FQCHDNJCKWUIRU-UHFFFAOYSA-N 1 2 318.421 1.430 40 0 DDABLO CN(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096048970 407227201 /nfs/dbraw/zinc/22/72/01/407227201.db2.gz FQCHDNJCKWUIRU-UHFFFAOYSA-N 1 2 318.421 1.430 40 0 DDABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)n1 ZINC000096188614 407245390 /nfs/dbraw/zinc/24/53/90/407245390.db2.gz ZEWGPFXGSKJJAE-LBPRGKRZSA-N 1 2 315.406 1.263 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1c1ccccc1 ZINC000067897059 407288898 /nfs/dbraw/zinc/28/88/98/407288898.db2.gz CUFZYHJHBGLKOZ-SJORKVTESA-N 1 2 309.369 1.698 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1c1ccccc1 ZINC000067897059 407288899 /nfs/dbraw/zinc/28/88/99/407288899.db2.gz CUFZYHJHBGLKOZ-SJORKVTESA-N 1 2 309.369 1.698 40 0 biogenic,in-vitro DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@H+]12 ZINC000216525867 407498102 /nfs/dbraw/zinc/49/81/02/407498102.db2.gz ASTMRLPYJIVQKR-AGIUHOORSA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@@H+]12 ZINC000216525867 407498106 /nfs/dbraw/zinc/49/81/06/407498106.db2.gz ASTMRLPYJIVQKR-AGIUHOORSA-N 1 2 323.389 1.315 40 0 DDABLO Cc1ncccc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257232685 407509947 /nfs/dbraw/zinc/50/99/47/407509947.db2.gz GLYDRXQFLLHQBG-GJZGRUSLSA-N 1 2 300.362 1.425 40 0 DDABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2nc(C)cn2C)C1 ZINC000257239236 407514896 /nfs/dbraw/zinc/51/48/96/407514896.db2.gz HONPQHKWQFTCKL-CQSZACIVSA-N 1 2 303.410 1.909 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)[nH+]1 ZINC000257250034 407516922 /nfs/dbraw/zinc/51/69/22/407516922.db2.gz JKSOBCFTHHRWIH-CYBMUJFWSA-N 1 2 302.378 1.892 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)[nH+]1 ZINC000257286459 407534769 /nfs/dbraw/zinc/53/47/69/407534769.db2.gz PLQRNBPJSLDURO-LBPRGKRZSA-N 1 2 317.393 1.952 40 0 DDABLO O=C(CN1Cc2c[nH+]cn2[C@H](COCC2CC2)C1)N1CCCC1 ZINC000247759123 408508383 /nfs/dbraw/zinc/50/83/83/408508383.db2.gz GGDVDDNCIQGEQM-INIZCTEOSA-N 1 2 318.421 1.289 40 0 DDABLO Cn1cc(C[N@@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306123730 409772244 /nfs/dbraw/zinc/77/22/44/409772244.db2.gz AUVSNWLEWVWCKG-DZGCQCFKSA-N 1 2 303.387 1.175 40 0 DDABLO Cn1cc(C[N@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306123730 409772253 /nfs/dbraw/zinc/77/22/53/409772253.db2.gz AUVSNWLEWVWCKG-DZGCQCFKSA-N 1 2 303.387 1.175 40 0 DDABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCCO)[nH+]cn1)C2 ZINC000328969966 410028261 /nfs/dbraw/zinc/02/82/61/410028261.db2.gz DHNAJFBREILULP-LBPRGKRZSA-N 1 2 314.389 1.497 40 0 DDABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCCO)nc[nH+]1)C2 ZINC000328969966 410028265 /nfs/dbraw/zinc/02/82/65/410028265.db2.gz DHNAJFBREILULP-LBPRGKRZSA-N 1 2 314.389 1.497 40 0 DDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc(C)cn2)C1 ZINC000096207115 277607735 /nfs/dbraw/zinc/60/77/35/277607735.db2.gz BCPPMZVYXDZFJT-CYBMUJFWSA-N 1 2 300.362 1.505 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257205173 292839024 /nfs/dbraw/zinc/83/90/24/292839024.db2.gz AXXUUYFWTYZYEG-ZDUSSCGKSA-N 1 2 301.394 1.790 40 0 DDABLO CC(C)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000328957947 529112127 /nfs/dbraw/zinc/11/21/27/529112127.db2.gz AMPBNBZHRJJSMG-CQSZACIVSA-N 1 2 313.405 1.794 40 0 DDABLO CN(C)C(=O)NC[C@@H]1CN(Cc2cccnc2)Cc2c[nH+]cn21 ZINC000306139763 231089834 /nfs/dbraw/zinc/08/98/34/231089834.db2.gz TZWWPZSDLVMJQP-OAHLLOKOSA-N 1 2 314.393 1.106 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ccnn21 ZINC000585112777 354810042 /nfs/dbraw/zinc/81/00/42/354810042.db2.gz VGZVISRZOJCBLT-OAHLLOKOSA-N 1 2 314.389 1.585 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ccnn21 ZINC000585112777 354810046 /nfs/dbraw/zinc/81/00/46/354810046.db2.gz VGZVISRZOJCBLT-OAHLLOKOSA-N 1 2 314.389 1.585 40 0 DDABLO CC(C)[N@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585111746 354810593 /nfs/dbraw/zinc/81/05/93/354810593.db2.gz AHRHJWVBLQNQAL-CYBMUJFWSA-N 1 2 312.439 1.120 40 0 DDABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585111746 354810596 /nfs/dbraw/zinc/81/05/96/354810596.db2.gz AHRHJWVBLQNQAL-CYBMUJFWSA-N 1 2 312.439 1.120 40 0 DDABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2c(F)cccc2Cl)[C@@H]1O ZINC000585292240 354826153 /nfs/dbraw/zinc/82/61/53/354826153.db2.gz ZECKZFICHCNGMH-MCIONIFRSA-N 1 2 303.761 1.686 40 0 DDABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2c(F)cccc2Cl)[C@@H]1O ZINC000585292240 354826156 /nfs/dbraw/zinc/82/61/56/354826156.db2.gz ZECKZFICHCNGMH-MCIONIFRSA-N 1 2 303.761 1.686 40 0 DDABLO CC(=O)NCc1cnc([C@H]2CN(c3cccc(C)[nH+]3)CCO2)[nH]1 ZINC000257283148 203010516 /nfs/dbraw/zinc/01/05/16/203010516.db2.gz OWXDZYGIDKHOHY-CQSZACIVSA-N 1 2 315.377 1.327 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257294309 203018447 /nfs/dbraw/zinc/01/84/47/203018447.db2.gz QTNCLEGSMGWFJI-CQSZACIVSA-N 1 2 301.394 1.640 40 0 DDABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257311893 203035864 /nfs/dbraw/zinc/03/58/64/203035864.db2.gz ULLIQSZKBSAYHR-RDJZCZTQSA-N 1 2 322.380 1.688 40 0 DDABLO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257311893 203035866 /nfs/dbraw/zinc/03/58/66/203035866.db2.gz ULLIQSZKBSAYHR-RDJZCZTQSA-N 1 2 322.380 1.688 40 0 DDABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@H](Cn2cncn2)C1 ZINC000096067084 296276497 /nfs/dbraw/zinc/27/64/97/296276497.db2.gz XLODGTMLBJQLAA-LBPRGKRZSA-N 1 2 312.333 1.040 40 0 DDABLO COc1cc2c(cc1C[N@@H+]1CCn3c(CO)nnc3C1)CCC2 ZINC000057822817 184055426 /nfs/dbraw/zinc/05/54/26/184055426.db2.gz JHZKDMIFSJWLNA-UHFFFAOYSA-N 1 2 314.389 1.284 40 0 DDABLO COc1cc2c(cc1C[N@H+]1CCn3c(CO)nnc3C1)CCC2 ZINC000057822817 184055428 /nfs/dbraw/zinc/05/54/28/184055428.db2.gz JHZKDMIFSJWLNA-UHFFFAOYSA-N 1 2 314.389 1.284 40 0 DDABLO COc1ccc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1OC ZINC000095533878 257137846 /nfs/dbraw/zinc/13/78/46/257137846.db2.gz ZBBZCIMKFOEEQS-AAEUAGOBSA-N 1 2 304.350 1.722 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253072 407256909 /nfs/dbraw/zinc/25/69/09/407256909.db2.gz VGIVZOVAYSAQHR-IJEWVQPXSA-N 1 2 319.405 1.549 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253072 407256911 /nfs/dbraw/zinc/25/69/11/407256911.db2.gz VGIVZOVAYSAQHR-IJEWVQPXSA-N 1 2 319.405 1.549 40 0 DDABLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccco2)cn1 ZINC000096252441 407257193 /nfs/dbraw/zinc/25/71/93/407257193.db2.gz YUYHZLIXXWSTCP-OKILXGFUSA-N 1 2 300.362 1.502 40 0 DDABLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccco2)cn1 ZINC000096252441 407257196 /nfs/dbraw/zinc/25/71/96/407257196.db2.gz YUYHZLIXXWSTCP-OKILXGFUSA-N 1 2 300.362 1.502 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)cs1 ZINC000096043234 407226559 /nfs/dbraw/zinc/22/65/59/407226559.db2.gz ZSIIQTQAZKQHTB-GLQYFDAESA-N 1 2 321.446 1.710 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)cs1 ZINC000096043234 407226560 /nfs/dbraw/zinc/22/65/60/407226560.db2.gz ZSIIQTQAZKQHTB-GLQYFDAESA-N 1 2 321.446 1.710 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1cnccn1 ZINC000096062058 407231704 /nfs/dbraw/zinc/23/17/04/407231704.db2.gz SWGCJCWIBJFHRH-GFCCVEGCSA-N 1 2 323.360 1.135 40 0 DDABLO Cc1cnn(CC(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)c1 ZINC000257206473 407494487 /nfs/dbraw/zinc/49/44/87/407494487.db2.gz BDPLOSDRVLXZQS-AWEZNQCLSA-N 1 2 301.394 1.640 40 0 DDABLO Cc1[nH+]c[nH]c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1 ZINC000257251517 407520367 /nfs/dbraw/zinc/52/03/67/407520367.db2.gz JRBVVDGCADEMKK-HUUCEWRRSA-N 1 2 317.345 1.040 40 0 DDABLO Cc1[nH+]c[nH]c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1 ZINC000257251517 407520372 /nfs/dbraw/zinc/52/03/72/407520372.db2.gz JRBVVDGCADEMKK-HUUCEWRRSA-N 1 2 317.345 1.040 40 0 DDABLO CCCNC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000225497329 407590910 /nfs/dbraw/zinc/59/09/10/407590910.db2.gz JDNWKVPAHFNBKO-UHFFFAOYSA-N 1 2 306.410 1.153 40 0 DDABLO Clc1cc(NCC[NH+]2CCOCC2)nc(-c2ccncc2)n1 ZINC000329020420 410055306 /nfs/dbraw/zinc/05/53/06/410055306.db2.gz OCHNKDWAVIHTRN-UHFFFAOYSA-N 1 2 319.796 1.358 40 0 DDABLO Cc1cnc(NC(=S)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000223891757 418564265 /nfs/dbraw/zinc/56/42/65/418564265.db2.gz CRZGFPJFQATKLY-UHFFFAOYSA-N 1 2 314.842 1.662 40 0 DDABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 ZINC000137194386 295024389 /nfs/dbraw/zinc/02/43/89/295024389.db2.gz AJKOHZLVHPKDEN-VHSXEESVSA-N 1 2 302.808 1.994 40 0 DDABLO CN(C)C(=O)NC[C@H]1CN(Cc2cccnc2)Cc2c[nH+]cn21 ZINC000306139762 231089548 /nfs/dbraw/zinc/08/95/48/231089548.db2.gz TZWWPZSDLVMJQP-HNNXBMFYSA-N 1 2 314.393 1.106 40 0 DDABLO COCCNc1cc([C@@H]2CC[N@@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072387493 191145135 /nfs/dbraw/zinc/14/51/35/191145135.db2.gz LZCHXHIQIQNYNN-HNNXBMFYSA-N 1 2 316.409 1.524 40 0 DDABLO COCCNc1cc([C@@H]2CC[N@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072387493 191145136 /nfs/dbraw/zinc/14/51/36/191145136.db2.gz LZCHXHIQIQNYNN-HNNXBMFYSA-N 1 2 316.409 1.524 40 0 DDABLO COCCNc1cc([C@@H]2CCN2Cc2cnn(C)c2)[nH+]c(C)n1 ZINC000072387493 191145138 /nfs/dbraw/zinc/14/51/38/191145138.db2.gz LZCHXHIQIQNYNN-HNNXBMFYSA-N 1 2 316.409 1.524 40 0 DDABLO Cc1ccc(OCC(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)cc1 ZINC000585094681 354803255 /nfs/dbraw/zinc/80/32/55/354803255.db2.gz HGNNYZAWCXJPOH-CYBMUJFWSA-N 1 2 315.373 1.053 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccnc3ccccc31)C2 ZINC000585094931 354803590 /nfs/dbraw/zinc/80/35/90/354803590.db2.gz VADVQCXNLPQVGT-GFCCVEGCSA-N 1 2 322.368 1.528 40 0 DDABLO O=C(NCC1CC1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095727 354804302 /nfs/dbraw/zinc/80/43/02/354804302.db2.gz GCYCOJJXNRWMIN-CQSZACIVSA-N 1 2 302.378 1.093 40 0 DDABLO COCC(=O)N1Cc2c[nH+]cn2CC[C@@H]1COc1ccccc1 ZINC000585096926 354805431 /nfs/dbraw/zinc/80/54/31/354805431.db2.gz FQDFPGJDABAKQI-CQSZACIVSA-N 1 2 315.373 1.709 40 0 DDABLO Cc1ccn(CCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257319830 203042557 /nfs/dbraw/zinc/04/25/57/203042557.db2.gz VUFLEMNXXSOFCA-OAHLLOKOSA-N 1 2 313.405 1.762 40 0 DDABLO CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000257323210 203046917 /nfs/dbraw/zinc/04/69/17/203046917.db2.gz WJEDWCKHYVXVRB-LBPRGKRZSA-N 1 2 323.422 1.769 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257322526 203047382 /nfs/dbraw/zinc/04/73/82/203047382.db2.gz WGIMSNZXHHJHRV-RDJZCZTQSA-N 1 2 301.390 1.824 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257322526 203047386 /nfs/dbraw/zinc/04/73/86/203047386.db2.gz WGIMSNZXHHJHRV-RDJZCZTQSA-N 1 2 301.390 1.824 40 0 DDABLO CCc1nnsc1C(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257322844 203048224 /nfs/dbraw/zinc/04/82/24/203048224.db2.gz WHQMDTOJCZKTLZ-JTQLQIEISA-N 1 2 307.379 1.346 40 0 DDABLO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)cnn1C ZINC000257339087 203059533 /nfs/dbraw/zinc/05/95/33/203059533.db2.gz ZADXKBSREZGNPI-INIZCTEOSA-N 1 2 315.421 1.763 40 0 DDABLO Cc1c(C[N@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)cnn1C ZINC000257339087 203059536 /nfs/dbraw/zinc/05/95/36/203059536.db2.gz ZADXKBSREZGNPI-INIZCTEOSA-N 1 2 315.421 1.763 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000019401889 182121741 /nfs/dbraw/zinc/12/17/41/182121741.db2.gz JTUYNISTFUZNJE-UHFFFAOYSA-N 1 2 320.356 1.593 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000019401889 182121742 /nfs/dbraw/zinc/12/17/42/182121742.db2.gz JTUYNISTFUZNJE-UHFFFAOYSA-N 1 2 320.356 1.593 40 0 DDABLO O=C(NCC1CC1)C1C[NH+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019747414 182142720 /nfs/dbraw/zinc/14/27/20/182142720.db2.gz CEKZQQVAXNMYOT-UHFFFAOYSA-N 1 2 315.421 1.035 40 0 DDABLO O=C1c2cc3c(cc2CC[C@H]1C[NH+]1CCOCC1)OCCO3 ZINC000019204612 296438863 /nfs/dbraw/zinc/43/88/63/296438863.db2.gz JRSVYGYMRHSRPQ-ZDUSSCGKSA-N 1 2 303.358 1.535 40 0 DDABLO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000027228776 406909143 /nfs/dbraw/zinc/90/91/43/406909143.db2.gz KFLMJLOBTBXGAN-NFAWXSAZSA-N 1 2 307.390 1.738 40 0 DDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000054277324 407181666 /nfs/dbraw/zinc/18/16/66/407181666.db2.gz HCPZBCWHKQQBBW-UHFFFAOYSA-N 1 2 303.406 1.440 40 0 DDABLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096225517 407252966 /nfs/dbraw/zinc/25/29/66/407252966.db2.gz QZRUPEMFMPCSHM-KRWDZBQOSA-N 1 2 316.405 1.669 40 0 DDABLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096225517 407252968 /nfs/dbraw/zinc/25/29/68/407252968.db2.gz QZRUPEMFMPCSHM-KRWDZBQOSA-N 1 2 316.405 1.669 40 0 DDABLO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)N1CCC1 ZINC000096220748 407253294 /nfs/dbraw/zinc/25/32/94/407253294.db2.gz FDYJOBWMPAVQOM-RWMBFGLXSA-N 1 2 307.419 1.355 40 0 DDABLO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)N1CCC1 ZINC000096220748 407253297 /nfs/dbraw/zinc/25/32/97/407253297.db2.gz FDYJOBWMPAVQOM-RWMBFGLXSA-N 1 2 307.419 1.355 40 0 DDABLO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC000096060895 407232233 /nfs/dbraw/zinc/23/22/33/407232233.db2.gz VSPWHUWPWJYVRI-OAHLLOKOSA-N 1 2 313.405 1.829 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC000096060895 407232234 /nfs/dbraw/zinc/23/22/34/407232234.db2.gz VSPWHUWPWJYVRI-OAHLLOKOSA-N 1 2 313.405 1.829 40 0 DDABLO Cc1cc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3C2)no1 ZINC000096201108 407248825 /nfs/dbraw/zinc/24/88/25/407248825.db2.gz FQFWLMCINUESLW-UHFFFAOYSA-N 1 2 312.333 1.080 40 0 DDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000107263156 407371557 /nfs/dbraw/zinc/37/15/57/407371557.db2.gz XOEDVFVTDNLWEM-OWCLPIDISA-N 1 2 304.390 1.373 40 0 DDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000107263156 407371558 /nfs/dbraw/zinc/37/15/58/407371558.db2.gz XOEDVFVTDNLWEM-OWCLPIDISA-N 1 2 304.390 1.373 40 0 DDABLO CCn1ncc(S(=O)(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1C ZINC000257200097 407491314 /nfs/dbraw/zinc/49/13/14/407491314.db2.gz ABYXXMJCRVMOEP-GFCCVEGCSA-N 1 2 323.422 1.421 40 0 DDABLO CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)CCn1cc[nH+]c1 ZINC000257262300 407526009 /nfs/dbraw/zinc/52/60/09/407526009.db2.gz LKWMVTVYCJBUAN-JKSUJKDBSA-N 1 2 318.421 1.523 40 0 DDABLO O=S1(=O)CC[C@@H](COc2ccccn2)C12C[NH+](C1CCC1)C2 ZINC000247308677 408446914 /nfs/dbraw/zinc/44/69/14/408446914.db2.gz HRWLLEOGYOUPSV-ZDUSSCGKSA-N 1 2 322.430 1.502 40 0 DDABLO Cc1cccc2cc(C(=O)NCC[NH+]3CCOCC3)c(=O)oc12 ZINC000226035822 201764648 /nfs/dbraw/zinc/76/46/48/201764648.db2.gz GOYSSZDTZUNPCU-UHFFFAOYSA-N 1 2 316.357 1.163 40 0 DDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CC(=O)N(C)C)C2)no1 ZINC000585099166 354806530 /nfs/dbraw/zinc/80/65/30/354806530.db2.gz QWBFCJGOEJOFGQ-CQSZACIVSA-N 1 2 316.405 1.895 40 0 DDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CC(=O)N(C)C)C2)no1 ZINC000585099166 354806532 /nfs/dbraw/zinc/80/65/32/354806532.db2.gz QWBFCJGOEJOFGQ-CQSZACIVSA-N 1 2 316.405 1.895 40 0 DDABLO Cc1cccc(OC[C@@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000585275867 354819642 /nfs/dbraw/zinc/81/96/42/354819642.db2.gz FZFAENGLQUVUIG-QGZVFWFLSA-N 1 2 315.373 1.303 40 0 DDABLO Cc1[nH]ncc1C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585292534 354826306 /nfs/dbraw/zinc/82/63/06/354826306.db2.gz KGAUJDZAELETDL-BZUAXINKSA-N 1 2 305.353 1.178 40 0 DDABLO Cc1[nH]ncc1C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585292534 354826310 /nfs/dbraw/zinc/82/63/10/354826310.db2.gz KGAUJDZAELETDL-BZUAXINKSA-N 1 2 305.353 1.178 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccccc2F)[nH+]1 ZINC000257274674 203004123 /nfs/dbraw/zinc/00/41/23/203004123.db2.gz NMBMRBPQPAKTCC-CQSZACIVSA-N 1 2 303.337 2.000 40 0 DDABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1 ZINC000257283115 203009664 /nfs/dbraw/zinc/00/96/64/203009664.db2.gz OWUXFAGRNGVHIP-HNNXBMFYSA-N 1 2 317.393 1.589 40 0 DDABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1 ZINC000257283115 203009668 /nfs/dbraw/zinc/00/96/68/203009668.db2.gz OWUXFAGRNGVHIP-HNNXBMFYSA-N 1 2 317.393 1.589 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257282349 203011321 /nfs/dbraw/zinc/01/13/21/203011321.db2.gz OTKHOESSKMIWHK-INIZCTEOSA-N 1 2 301.394 1.650 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257282349 203011323 /nfs/dbraw/zinc/01/13/23/203011323.db2.gz OTKHOESSKMIWHK-INIZCTEOSA-N 1 2 301.394 1.650 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)[nH+]1 ZINC000257287508 203013591 /nfs/dbraw/zinc/01/35/91/203013591.db2.gz PQGSAQSNPBTJBM-CYBMUJFWSA-N 1 2 314.389 1.447 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(C)[nH]c2=O)[nH+]1 ZINC000257291910 203016980 /nfs/dbraw/zinc/01/69/80/203016980.db2.gz QJEYSUBORHOKKQ-LBPRGKRZSA-N 1 2 302.334 1.341 40 0 DDABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257330180 203053363 /nfs/dbraw/zinc/05/33/63/203053363.db2.gz XNFNLOLKLSQSJT-QGZVFWFLSA-N 1 2 317.389 1.513 40 0 DDABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257330180 203053368 /nfs/dbraw/zinc/05/33/68/203053368.db2.gz XNFNLOLKLSQSJT-QGZVFWFLSA-N 1 2 317.389 1.513 40 0 DDABLO Cc1cccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3C2)n1 ZINC000096061818 193513573 /nfs/dbraw/zinc/51/35/73/193513573.db2.gz CMTHNRIBIRTOAA-UHFFFAOYSA-N 1 2 322.372 1.487 40 0 DDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)cc1O ZINC000019576593 182131478 /nfs/dbraw/zinc/13/14/78/182131478.db2.gz DISXXXRVWWJAPG-UHFFFAOYSA-N 1 2 301.346 1.763 40 0 DDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)cc1O ZINC000019576593 182131480 /nfs/dbraw/zinc/13/14/80/182131480.db2.gz DISXXXRVWWJAPG-UHFFFAOYSA-N 1 2 301.346 1.763 40 0 DDABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@](C)(C(N)=O)C2)s1 ZINC000019746902 182141889 /nfs/dbraw/zinc/14/18/89/182141889.db2.gz REJXSCXEPILLCS-CQSZACIVSA-N 1 2 312.439 1.066 40 0 DDABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@@](C)(C(N)=O)C2)s1 ZINC000019746902 182141890 /nfs/dbraw/zinc/14/18/90/182141890.db2.gz REJXSCXEPILLCS-CQSZACIVSA-N 1 2 312.439 1.066 40 0 DDABLO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCC[NH+]1CCOCC1)CC2=O ZINC000019873581 182158819 /nfs/dbraw/zinc/15/88/19/182158819.db2.gz SYBVAYYARAAZTJ-ZWKOTPCHSA-N 1 2 322.449 1.610 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038849 407224701 /nfs/dbraw/zinc/22/47/01/407224701.db2.gz WSPUDFBCAGPNGS-BFHYXJOUSA-N 1 2 321.446 1.506 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038849 407224702 /nfs/dbraw/zinc/22/47/02/407224702.db2.gz WSPUDFBCAGPNGS-BFHYXJOUSA-N 1 2 321.446 1.506 40 0 DDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccoc2)CCO3)o1 ZINC000096049189 407227552 /nfs/dbraw/zinc/22/75/52/407227552.db2.gz CFMAUODRGCGEEG-INIZCTEOSA-N 1 2 318.377 1.842 40 0 DDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccoc2)CCO3)o1 ZINC000096049189 407227553 /nfs/dbraw/zinc/22/75/53/407227553.db2.gz CFMAUODRGCGEEG-INIZCTEOSA-N 1 2 318.377 1.842 40 0 DDABLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1)N1CCCC1 ZINC000096057605 407231130 /nfs/dbraw/zinc/23/11/30/407231130.db2.gz TXYQGYDCBLUTCY-BFHYXJOUSA-N 1 2 321.446 1.745 40 0 DDABLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1)N1CCCC1 ZINC000096057605 407231132 /nfs/dbraw/zinc/23/11/32/407231132.db2.gz TXYQGYDCBLUTCY-BFHYXJOUSA-N 1 2 321.446 1.745 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccoc1 ZINC000096062096 407231549 /nfs/dbraw/zinc/23/15/49/407231549.db2.gz BKBRQYBINRDNAO-LLVKDONJSA-N 1 2 312.333 1.333 40 0 DDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccc(C)n2)C1 ZINC000096059095 407231946 /nfs/dbraw/zinc/23/19/46/407231946.db2.gz VCAJXGAKRVOCQA-ZDUSSCGKSA-N 1 2 300.362 1.505 40 0 DDABLO CN(C)C(=O)N[C@@H]1C[N@H+](Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185838 407244706 /nfs/dbraw/zinc/24/47/06/407244706.db2.gz GCBNSEMCCUUIQJ-NQBHXWOUSA-N 1 2 310.423 1.146 40 0 DDABLO CN(C)C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185838 407244707 /nfs/dbraw/zinc/24/47/07/407244707.db2.gz GCBNSEMCCUUIQJ-NQBHXWOUSA-N 1 2 310.423 1.146 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2cc(C)on2)n1 ZINC000257225789 407504687 /nfs/dbraw/zinc/50/46/87/407504687.db2.gz FHVSMZNZJRDLJN-INIZCTEOSA-N 1 2 315.377 1.746 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2cc(C)on2)n1 ZINC000257225789 407504691 /nfs/dbraw/zinc/50/46/91/407504691.db2.gz FHVSMZNZJRDLJN-INIZCTEOSA-N 1 2 315.377 1.746 40 0 DDABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccn1 ZINC000257258115 407522885 /nfs/dbraw/zinc/52/28/85/407522885.db2.gz KSLLERDWUFYVLK-KRWDZBQOSA-N 1 2 311.389 1.451 40 0 DDABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccccn1 ZINC000257258115 407522890 /nfs/dbraw/zinc/52/28/90/407522890.db2.gz KSLLERDWUFYVLK-KRWDZBQOSA-N 1 2 311.389 1.451 40 0 DDABLO CC(=O)N1C[C@@H]2CN(C(=O)CC(C)(C)C)CC[N@@H+]2C(C)(C)C1 ZINC000253406231 186308243 /nfs/dbraw/zinc/30/82/43/186308243.db2.gz UJOWOBCBLOYBEC-AWEZNQCLSA-N 1 2 309.454 1.576 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(C(=O)CC(C)(C)C)CC[N@H+]2C(C)(C)C1 ZINC000253406231 186308245 /nfs/dbraw/zinc/30/82/45/186308245.db2.gz UJOWOBCBLOYBEC-AWEZNQCLSA-N 1 2 309.454 1.576 40 0 biogenic,in-vitro DDABLO CS(=O)(=O)N1CCC[C@@H]1CCc1cc(-n2cc[nH+]c2)ncn1 ZINC000072364827 191134195 /nfs/dbraw/zinc/13/41/95/191134195.db2.gz SDMMKDDXGJZLGN-CYBMUJFWSA-N 1 2 321.406 1.019 40 0 DDABLO O=C([C@H]1CCOC1)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111129 354809321 /nfs/dbraw/zinc/80/93/21/354809321.db2.gz FROLKYFCWVWIHV-AWEZNQCLSA-N 1 2 312.373 1.366 40 0 DDABLO Cc1ccc(C[C@]2(CO)C[N@H+](Cc3cnccn3)CCO2)cc1 ZINC000585275875 354819584 /nfs/dbraw/zinc/81/95/84/354819584.db2.gz KIUPCCMOJSHEFO-GOSISDBHSA-N 1 2 313.401 1.591 40 0 DDABLO Cc1ccc(C[C@]2(CO)C[N@@H+](Cc3cnccn3)CCO2)cc1 ZINC000585275875 354819586 /nfs/dbraw/zinc/81/95/86/354819586.db2.gz KIUPCCMOJSHEFO-GOSISDBHSA-N 1 2 313.401 1.591 40 0 DDABLO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1 ZINC000585279866 354822432 /nfs/dbraw/zinc/82/24/32/354822432.db2.gz RKLJJSAHPGSRSK-IAGOWNOFSA-N 1 2 313.401 1.989 40 0 DDABLO CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000585291479 354826231 /nfs/dbraw/zinc/82/62/31/354826231.db2.gz PDMPTLCEJJWUDT-QNQFUXMYSA-N 1 2 316.405 1.672 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)[nH+]1 ZINC000257293072 203016853 /nfs/dbraw/zinc/01/68/53/203016853.db2.gz QNZVJFNXKBYXQI-LBPRGKRZSA-N 1 2 300.362 1.767 40 0 DDABLO Cc1ccn(CCC(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257328036 203051018 /nfs/dbraw/zinc/05/10/18/203051018.db2.gz XDVMCBZQKZCHJT-CQSZACIVSA-N 1 2 301.394 1.640 40 0 DDABLO CCc1cc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257326795 203051730 /nfs/dbraw/zinc/05/17/30/203051730.db2.gz WYPAXOIQGYKTSQ-MRXNPFEDSA-N 1 2 316.361 1.003 40 0 DDABLO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC000257334746 203055841 /nfs/dbraw/zinc/05/58/41/203055841.db2.gz YHFHSWHKYHPFRU-CQSZACIVSA-N 1 2 306.410 1.494 40 0 DDABLO C[N@@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464186 182221158 /nfs/dbraw/zinc/22/11/58/182221158.db2.gz KGBOURHYBVCYGV-STQMWFEESA-N 1 2 313.361 1.403 40 0 biogenic,in-vitro DDABLO C[N@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464186 182221160 /nfs/dbraw/zinc/22/11/60/182221160.db2.gz KGBOURHYBVCYGV-STQMWFEESA-N 1 2 313.361 1.403 40 0 biogenic,in-vitro DDABLO CCCOc1ccccc1C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000057822998 184055622 /nfs/dbraw/zinc/05/56/22/184055622.db2.gz FTGBHRFRHSGVIQ-UHFFFAOYSA-N 1 2 302.378 1.575 40 0 DDABLO CCCOc1ccccc1C[N@H+]1CCn2c(CO)nnc2C1 ZINC000057822998 184055623 /nfs/dbraw/zinc/05/56/23/184055623.db2.gz FTGBHRFRHSGVIQ-UHFFFAOYSA-N 1 2 302.378 1.575 40 0 DDABLO Cc1ccc2c(CC(=O)NCC[NH+]3CCOCC3)coc2c1 ZINC000027587374 406912328 /nfs/dbraw/zinc/91/23/28/406912328.db2.gz JAKKXDSKCRYXKO-UHFFFAOYSA-N 1 2 302.374 1.732 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc(O)cc2)C1 ZINC000096244898 407255013 /nfs/dbraw/zinc/25/50/13/407255013.db2.gz GECVUQLMQLFSDU-DOMZBBRYSA-N 1 2 315.398 1.805 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc(O)cc2)C1 ZINC000096244898 407255014 /nfs/dbraw/zinc/25/50/14/407255014.db2.gz GECVUQLMQLFSDU-DOMZBBRYSA-N 1 2 315.398 1.805 40 0 DDABLO CCc1[nH+]ccn1-c1ccc(C(=O)NC2CCOCC2)cn1 ZINC000257223556 407502783 /nfs/dbraw/zinc/50/27/83/407502783.db2.gz DXXLKGXFJUQFQY-UHFFFAOYSA-N 1 2 300.362 1.739 40 0 DDABLO NC(=O)c1cnn2c1nccc2[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221277 407503277 /nfs/dbraw/zinc/50/32/77/407503277.db2.gz DOGQMOCUVIYVSU-LBPRGKRZSA-N 1 2 322.372 1.607 40 0 DDABLO C[NH+]1CCN(C(=O)CSc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000253572202 407461307 /nfs/dbraw/zinc/46/13/07/407461307.db2.gz PXMJEOORHYCUMN-UHFFFAOYSA-N 1 2 317.418 1.338 40 0 DDABLO O=C(Cc1ccc(F)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257250844 407520721 /nfs/dbraw/zinc/52/07/21/407520721.db2.gz JOGCVLBQKXVJNX-HOTGVXAUSA-N 1 2 317.364 1.789 40 0 DDABLO CNc1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)n1 ZINC000257264768 407526847 /nfs/dbraw/zinc/52/68/47/407526847.db2.gz LVYYXAVNTHUTJW-CQSZACIVSA-N 1 2 303.410 1.668 40 0 DDABLO CNc1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCCCC2)n1 ZINC000257264768 407526852 /nfs/dbraw/zinc/52/68/52/407526852.db2.gz LVYYXAVNTHUTJW-CQSZACIVSA-N 1 2 303.410 1.668 40 0 DDABLO Cn1cccc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257261766 407527016 /nfs/dbraw/zinc/52/70/16/407527016.db2.gz LISDMBBPUDIXSD-KRWDZBQOSA-N 1 2 314.389 1.181 40 0 DDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3cc(C)ccc32)CC1 ZINC000225747033 407602428 /nfs/dbraw/zinc/60/24/28/407602428.db2.gz HTTDCJQGDKFXFA-UHFFFAOYSA-N 1 2 313.401 1.474 40 0 DDABLO COCCN1CCN(C(=O)c2cscn2)Cc2ccc[nH+]c21 ZINC000096198857 292538513 /nfs/dbraw/zinc/53/85/13/292538513.db2.gz TVFADBYJGYUQOR-UHFFFAOYSA-N 1 2 318.402 1.647 40 0 DDABLO COCCN1CCN(C(=O)c2ccno2)Cc2ccc[nH+]c21 ZINC000096069183 277224931 /nfs/dbraw/zinc/22/49/31/277224931.db2.gz MREHFLQFWLYNDW-UHFFFAOYSA-N 1 2 302.334 1.178 40 0 DDABLO Cc1ncc(C[N@@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 ZINC000257337770 282152252 /nfs/dbraw/zinc/15/22/52/282152252.db2.gz YUHBSZATAHKWCF-IRXDYDNUSA-N 1 2 324.384 1.401 40 0 DDABLO Cc1ncc(C[N@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 ZINC000257337770 282152257 /nfs/dbraw/zinc/15/22/57/282152257.db2.gz YUHBSZATAHKWCF-IRXDYDNUSA-N 1 2 324.384 1.401 40 0 DDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)NC(C)C)C2)n(C)n1 ZINC000306140663 231089018 /nfs/dbraw/zinc/08/90/18/231089018.db2.gz UZYQBQZCQYUYBC-HNNXBMFYSA-N 1 2 316.409 1.007 40 0 DDABLO Cc1cc(C[N@@H+]2Cc3ccnn3[C@H](C(=O)NC(C)C)C2)n(C)n1 ZINC000306141903 231091052 /nfs/dbraw/zinc/09/10/52/231091052.db2.gz WJRVGMIKFOSREK-HNNXBMFYSA-N 1 2 316.409 1.007 40 0 DDABLO Cc1cc(C[N@H+]2Cc3ccnn3[C@H](C(=O)NC(C)C)C2)n(C)n1 ZINC000306141903 231091056 /nfs/dbraw/zinc/09/10/56/231091056.db2.gz WJRVGMIKFOSREK-HNNXBMFYSA-N 1 2 316.409 1.007 40 0 DDABLO Cc1cc(-n2cc[nH+]c2)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000072360671 191131519 /nfs/dbraw/zinc/13/15/19/191131519.db2.gz RFTCPCLHNRNKGG-LBPRGKRZSA-N 1 2 321.406 1.457 40 0 DDABLO Cc1cccc(C[C@@H]2COCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072388170 191146618 /nfs/dbraw/zinc/14/66/18/191146618.db2.gz XLMODZYUTWQDSQ-HNNXBMFYSA-N 1 2 300.406 1.815 40 0 DDABLO Cc1cccc(C[C@@H]2COCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072388170 191146620 /nfs/dbraw/zinc/14/66/20/191146620.db2.gz XLMODZYUTWQDSQ-HNNXBMFYSA-N 1 2 300.406 1.815 40 0 DDABLO CCOCc1nnc2n1CC[N@@H+](Cc1cc(C)[nH]n1)[C@@H](C)C2 ZINC000585098234 354806227 /nfs/dbraw/zinc/80/62/27/354806227.db2.gz SKNBDDHHFYSICV-LBPRGKRZSA-N 1 2 304.398 1.293 40 0 DDABLO CCOCc1nnc2n1CC[N@H+](Cc1cc(C)[nH]n1)[C@@H](C)C2 ZINC000585098234 354806230 /nfs/dbraw/zinc/80/62/30/354806230.db2.gz SKNBDDHHFYSICV-LBPRGKRZSA-N 1 2 304.398 1.293 40 0 DDABLO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3nccn3C)C2)cc1 ZINC000585269277 354818667 /nfs/dbraw/zinc/81/86/67/354818667.db2.gz OBZLVKWZFYUURR-KRWDZBQOSA-N 1 2 301.390 1.744 40 0 DDABLO Cc1ccc(OC[C@]2(O)CC[N@H+](Cc3nccn3C)C2)cc1 ZINC000585269277 354818668 /nfs/dbraw/zinc/81/86/68/354818668.db2.gz OBZLVKWZFYUURR-KRWDZBQOSA-N 1 2 301.390 1.744 40 0 DDABLO O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)Nc1cccc(F)c1 ZINC000004909852 181171270 /nfs/dbraw/zinc/17/12/70/181171270.db2.gz WWBJQTJMEAUUSI-UHFFFAOYSA-N 1 2 319.380 1.755 40 0 DDABLO CN(C)c1ncc(C[N@@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cn1 ZINC000257317147 203039905 /nfs/dbraw/zinc/03/99/05/203039905.db2.gz VIOKCWPZLJZHKP-CYBMUJFWSA-N 1 2 300.410 1.720 40 0 DDABLO CN(C)c1ncc(C[N@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cn1 ZINC000257317147 203039909 /nfs/dbraw/zinc/03/99/09/203039909.db2.gz VIOKCWPZLJZHKP-CYBMUJFWSA-N 1 2 300.410 1.720 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)[nH+]1 ZINC000257339747 203061833 /nfs/dbraw/zinc/06/18/33/203061833.db2.gz ZDAMVVBKXSKROG-GFCCVEGCSA-N 1 2 315.377 1.552 40 0 DDABLO Cc1cc(C)n(-c2ccc(C(=O)NCc3cn(C)c[nH+]3)cn2)n1 ZINC000257342555 203064806 /nfs/dbraw/zinc/06/48/06/203064806.db2.gz ZPEVUYGAKNGIIP-UHFFFAOYSA-N 1 2 310.361 1.548 40 0 DDABLO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cc[nH+]c1 ZINC000019288897 182112756 /nfs/dbraw/zinc/11/27/56/182112756.db2.gz NYYOPHRGDBDQSY-UHFFFAOYSA-N 1 2 313.336 1.853 40 0 DDABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CC(=O)NC(C)(C)C ZINC000019719710 182138116 /nfs/dbraw/zinc/13/81/16/182138116.db2.gz VWPQFVDZVZLTFY-UHFFFAOYSA-N 1 2 319.365 1.365 40 0 DDABLO O=C(c1ccncc1)N1CCO[C@@H]2[C@@H](Cn3cc[nH+]c3)CC[C@H]21 ZINC000096250245 407255607 /nfs/dbraw/zinc/25/56/07/407255607.db2.gz MHCKZNFMOWLRLB-BZUAXINKSA-N 1 2 312.373 1.598 40 0 DDABLO Cn1cc[nH+]c1CN1C[C@H]2OCC(=O)N(CC3CCCC3)[C@@H]2C1 ZINC000096246404 407256035 /nfs/dbraw/zinc/25/60/35/407256035.db2.gz MHQSCKUWXLHESU-HUUCEWRRSA-N 1 2 318.421 1.022 40 0 DDABLO Cc1noc([C@@]23CCO[C@@H]2CC[N@H+](Cc2nccs2)C3)n1 ZINC000096038730 407224478 /nfs/dbraw/zinc/22/44/78/407224478.db2.gz ODSJXOOXRZNWQV-BXUZGUMPSA-N 1 2 306.391 1.767 40 0 DDABLO Cc1noc([C@@]23CCO[C@@H]2CC[N@@H+](Cc2nccs2)C3)n1 ZINC000096038730 407224480 /nfs/dbraw/zinc/22/44/80/407224480.db2.gz ODSJXOOXRZNWQV-BXUZGUMPSA-N 1 2 306.391 1.767 40 0 DDABLO COCCN1CCN(C(=O)N2CCCC2)Cc2ccc[nH+]c21 ZINC000096045654 407225934 /nfs/dbraw/zinc/22/59/34/407225934.db2.gz YSHOXAHYNNKQOQ-UHFFFAOYSA-N 1 2 304.394 1.566 40 0 DDABLO c1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)co1 ZINC000096049136 407227477 /nfs/dbraw/zinc/22/74/77/407227477.db2.gz IFJAJLDIICLCSO-KRWDZBQOSA-N 1 2 314.389 1.941 40 0 DDABLO c1cc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)co1 ZINC000096049136 407227479 /nfs/dbraw/zinc/22/74/79/407227479.db2.gz IFJAJLDIICLCSO-KRWDZBQOSA-N 1 2 314.389 1.941 40 0 DDABLO O=C(c1cccs1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061820 407231954 /nfs/dbraw/zinc/23/19/54/407231954.db2.gz BEGNYHIFLLWBCP-UHFFFAOYSA-N 1 2 313.386 1.845 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nnn(C)c21 ZINC000096060611 407232082 /nfs/dbraw/zinc/23/20/82/407232082.db2.gz LVKINPYJLRLNRL-ZDUSSCGKSA-N 1 2 302.378 1.570 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nnn(C)c21 ZINC000096060611 407232084 /nfs/dbraw/zinc/23/20/84/407232084.db2.gz LVKINPYJLRLNRL-ZDUSSCGKSA-N 1 2 302.378 1.570 40 0 DDABLO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1csc(C)n1 ZINC000096064671 407233334 /nfs/dbraw/zinc/23/33/34/407233334.db2.gz NSTBOKFRRAZRTR-ZIAGYGMSSA-N 1 2 309.435 1.663 40 0 DDABLO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1csc(C)n1 ZINC000096064671 407233336 /nfs/dbraw/zinc/23/33/36/407233336.db2.gz NSTBOKFRRAZRTR-ZIAGYGMSSA-N 1 2 309.435 1.663 40 0 DDABLO CN(C)C(=O)c1nc2c(s1)CC[N@H+](Cc1nccn1C)CC2 ZINC000096187573 407246033 /nfs/dbraw/zinc/24/60/33/407246033.db2.gz YPGAGQYWPDYIEJ-UHFFFAOYSA-N 1 2 319.434 1.179 40 0 DDABLO CN(C)C(=O)c1nc2c(s1)CC[N@@H+](Cc1nccn1C)CC2 ZINC000096187573 407246036 /nfs/dbraw/zinc/24/60/36/407246036.db2.gz YPGAGQYWPDYIEJ-UHFFFAOYSA-N 1 2 319.434 1.179 40 0 DDABLO c1[nH+]c2n(c1CNc1ccccn1)CCN(c1ncccn1)CC2 ZINC000096197110 407247964 /nfs/dbraw/zinc/24/79/64/407247964.db2.gz PQDRKBSBEGQUCA-UHFFFAOYSA-N 1 2 321.388 1.743 40 0 DDABLO Cc1cnccc1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257245414 407517634 /nfs/dbraw/zinc/51/76/34/407517634.db2.gz IPJJAGSDYHPYET-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cnccc1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257245414 407517643 /nfs/dbraw/zinc/51/76/43/407517643.db2.gz IPJJAGSDYHPYET-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257268261 407529668 /nfs/dbraw/zinc/52/96/68/407529668.db2.gz MKXTUZDIXWSOTG-INIZCTEOSA-N 1 2 314.393 1.129 40 0 DDABLO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257268261 407529672 /nfs/dbraw/zinc/52/96/72/407529672.db2.gz MKXTUZDIXWSOTG-INIZCTEOSA-N 1 2 314.393 1.129 40 0 DDABLO OCCNc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329055564 410077388 /nfs/dbraw/zinc/07/73/88/410077388.db2.gz VPGICEHCADCIIP-UHFFFAOYSA-N 1 2 306.316 1.624 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccnn2C(C)C)[nH+]1 ZINC000257251362 301024770 /nfs/dbraw/zinc/02/47/70/301024770.db2.gz JQKXYNDLODNFDW-ZDUSSCGKSA-N 1 2 303.366 1.709 40 0 DDABLO Cc1ccc([C@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)cc1 ZINC000095534126 185379363 /nfs/dbraw/zinc/37/93/63/185379363.db2.gz ORKIQEZXHYGALF-HNNXBMFYSA-N 1 2 301.394 1.036 40 0 DDABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000225586629 186280317 /nfs/dbraw/zinc/28/03/17/186280317.db2.gz HUNKWRYRWKKSJQ-UHFFFAOYSA-N 1 2 318.295 1.898 40 0 DDABLO COCC(=O)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350613 191127411 /nfs/dbraw/zinc/12/74/11/191127411.db2.gz LMOOCQJQYRPVJD-GFCCVEGCSA-N 1 2 301.350 1.015 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN1Cc1c[nH+]cn1C ZINC000072366149 191135289 /nfs/dbraw/zinc/13/52/89/191135289.db2.gz JXAGFVSZXFWXMP-ZDUSSCGKSA-N 1 2 302.382 1.182 40 0 DDABLO CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112738 354810316 /nfs/dbraw/zinc/81/03/16/354810316.db2.gz USYWQJYLJFUHAX-MRXNPFEDSA-N 1 2 313.405 1.711 40 0 DDABLO CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112738 354810318 /nfs/dbraw/zinc/81/03/18/354810318.db2.gz USYWQJYLJFUHAX-MRXNPFEDSA-N 1 2 313.405 1.711 40 0 DDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257331684 203054704 /nfs/dbraw/zinc/05/47/04/203054704.db2.gz XTUPZQUFPVHVGN-NSHDSACASA-N 1 2 323.356 1.584 40 0 DDABLO CCN(C[C@@]1(C)Cc2c([nH+]c(N)nc2N)O1)C(=O)OC(C)(C)C ZINC000257321679 203045982 /nfs/dbraw/zinc/04/59/82/203045982.db2.gz WCSIKCFPKUPLPD-OAHLLOKOSA-N 1 2 323.397 1.592 40 0 DDABLO CCN(C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1)C(=O)OC(C)(C)C ZINC000257321679 203045985 /nfs/dbraw/zinc/04/59/85/203045985.db2.gz WCSIKCFPKUPLPD-OAHLLOKOSA-N 1 2 323.397 1.592 40 0 DDABLO COc1ccc(SCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000020041708 182183053 /nfs/dbraw/zinc/18/30/53/182183053.db2.gz LJNUUHVVGIGVRB-UHFFFAOYSA-N 1 2 310.419 1.570 40 0 DDABLO CCn1cc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000022238453 182313987 /nfs/dbraw/zinc/31/39/87/182313987.db2.gz WGWHQIBLOFTACY-SNVBAGLBSA-N 1 2 300.790 1.007 40 0 DDABLO CCc1cc(CNc2cc([C@@H]3C[N@H+](C)CCO3)nc(C)n2)on1 ZINC000072387893 406881178 /nfs/dbraw/zinc/88/11/78/406881178.db2.gz HRSUJLFATIRCIU-HNNXBMFYSA-N 1 2 317.393 1.951 40 0 DDABLO CCc1cc(CNc2cc([C@@H]3C[N@@H+](C)CCO3)nc(C)n2)on1 ZINC000072387893 406881179 /nfs/dbraw/zinc/88/11/79/406881179.db2.gz HRSUJLFATIRCIU-HNNXBMFYSA-N 1 2 317.393 1.951 40 0 DDABLO O=C(CSCc1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000044901194 407033253 /nfs/dbraw/zinc/03/32/53/407033253.db2.gz UKNNBWXIRZKZJF-UHFFFAOYSA-N 1 2 312.410 1.507 40 0 DDABLO CN(C)C(=O)NCc1ncn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096259452 407256717 /nfs/dbraw/zinc/25/67/17/407256717.db2.gz AEZSWPOMALWPLA-UHFFFAOYSA-N 1 2 317.393 1.653 40 0 DDABLO CN(C)C(=O)NCc1ncn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096259452 407256719 /nfs/dbraw/zinc/25/67/19/407256719.db2.gz AEZSWPOMALWPLA-UHFFFAOYSA-N 1 2 317.393 1.653 40 0 DDABLO O=C(NC[C@H]1OC[C@@H]2CN(c3cccc[nH+]3)CC[C@H]12)C1CC1 ZINC000096064309 407232770 /nfs/dbraw/zinc/23/27/70/407232770.db2.gz MXPKQBMKAABUCO-SOUVJXGZSA-N 1 2 301.390 1.449 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccoc1 ZINC000096201258 407249107 /nfs/dbraw/zinc/24/91/07/407249107.db2.gz VYEOLTBFZPSEII-GFCCVEGCSA-N 1 2 311.345 1.938 40 0 DDABLO CNc1cc([C@@H]2CCCN2C(=O)CN2CCOCC2)cc[nH+]1 ZINC000257223106 407502301 /nfs/dbraw/zinc/50/23/01/407502301.db2.gz DVWUMFAXIGCCLM-AWEZNQCLSA-N 1 2 304.394 1.119 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257234312 407511110 /nfs/dbraw/zinc/51/11/10/407511110.db2.gz GSYXWSAILZPYGR-LBPRGKRZSA-N 1 2 310.361 1.401 40 0 DDABLO Cc1cc([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nc2ccnn21 ZINC000257243663 407513256 /nfs/dbraw/zinc/51/32/56/407513256.db2.gz IHZHDFKTZNFMSI-HNNXBMFYSA-N 1 2 324.388 1.988 40 0 DDABLO Cc1cnccc1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257245413 407517985 /nfs/dbraw/zinc/51/79/85/407517985.db2.gz IPJJAGSDYHPYET-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cnccc1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257245413 407517993 /nfs/dbraw/zinc/51/79/93/407517993.db2.gz IPJJAGSDYHPYET-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC000257249763 407518786 /nfs/dbraw/zinc/51/87/86/407518786.db2.gz JJRASTVZLKUOSQ-HUUCEWRRSA-N 1 2 304.394 1.275 40 0 DDABLO CC(=O)N(C)[C@@H]1CCOC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000257340019 407532655 /nfs/dbraw/zinc/53/26/55/407532655.db2.gz ZEDLTETUKOOALR-OAHLLOKOSA-N 1 2 318.421 1.781 40 0 DDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NC3CCC3)C2)no1 ZINC000247883366 408514784 /nfs/dbraw/zinc/51/47/84/408514784.db2.gz CSHYGWWMKVKNEK-OAHLLOKOSA-N 1 2 315.377 1.405 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc(C(C)C)nc2)[nH+]1 ZINC000257293405 301024928 /nfs/dbraw/zinc/02/49/28/301024928.db2.gz QPIOBTOVHFJFOB-ZDUSSCGKSA-N 1 2 315.377 1.845 40 0 DDABLO Cc1cccc(Cc2cncc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)c1 ZINC000072355716 191130009 /nfs/dbraw/zinc/13/00/09/191130009.db2.gz WCOHFJFGKMKHDP-KRWDZBQOSA-N 1 2 310.401 1.998 40 0 DDABLO Cc1cccc(Cc2cncc([C@@H]3CCC[N@H+]3CC(N)=O)n2)c1 ZINC000072355716 191130010 /nfs/dbraw/zinc/13/00/10/191130010.db2.gz WCOHFJFGKMKHDP-KRWDZBQOSA-N 1 2 310.401 1.998 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000585113062 354810607 /nfs/dbraw/zinc/81/06/07/354810607.db2.gz YGKYWTMPJYIAQA-HNNXBMFYSA-N 1 2 314.389 1.585 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000585113062 354810610 /nfs/dbraw/zinc/81/06/10/354810610.db2.gz YGKYWTMPJYIAQA-HNNXBMFYSA-N 1 2 314.389 1.585 40 0 DDABLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585275452 354819441 /nfs/dbraw/zinc/81/94/41/354819441.db2.gz CIPFCRVYVVYLRX-CZUORRHYSA-N 1 2 317.364 1.543 40 0 DDABLO CO[C@]1(COc2ccccc2)COCCN(Cc2[nH]cc[nH+]2)C1 ZINC000585275472 354819626 /nfs/dbraw/zinc/81/96/26/354819626.db2.gz FEQKMPYJNNFZBT-KRWDZBQOSA-N 1 2 317.389 1.706 40 0 DDABLO CNc1nccnc1[C@@H]1CN(Cc2[nH+]ccn2C(C)C)CCO1 ZINC000257307839 203031186 /nfs/dbraw/zinc/03/11/86/203031186.db2.gz TUIMGRHBBOSFMU-ZDUSSCGKSA-N 1 2 316.409 1.869 40 0 DDABLO CC(=O)NCc1cnc([C@@H]2CN(c3cccc(C)[nH+]3)CCO2)[nH]1 ZINC000257283147 203009958 /nfs/dbraw/zinc/00/99/58/203009958.db2.gz OWXDZYGIDKHOHY-AWEZNQCLSA-N 1 2 315.377 1.327 40 0 DDABLO CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257294864 203019467 /nfs/dbraw/zinc/01/94/67/203019467.db2.gz QWAKLZYZNGREMH-GFCCVEGCSA-N 1 2 308.407 1.320 40 0 DDABLO CCN(CC)S(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257293617 203020015 /nfs/dbraw/zinc/02/00/15/203020015.db2.gz QQJRVZLKFXJGFP-HNNXBMFYSA-N 1 2 311.451 1.562 40 0 DDABLO CCN(CC)S(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257293617 203020017 /nfs/dbraw/zinc/02/00/17/203020017.db2.gz QQJRVZLKFXJGFP-HNNXBMFYSA-N 1 2 311.451 1.562 40 0 DDABLO Cc1cc2nc(C3CCN(C(=O)Cn4cc[nH+]c4)CC3)ccn2n1 ZINC000257318107 203043107 /nfs/dbraw/zinc/04/31/07/203043107.db2.gz VMOCJZOGDFLDPV-UHFFFAOYSA-N 1 2 324.388 1.640 40 0 DDABLO O[C@H]1CC[N@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257340555 203062189 /nfs/dbraw/zinc/06/21/89/203062189.db2.gz ZGRJSZIICCOAHU-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO O[C@H]1CC[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257340555 203062192 /nfs/dbraw/zinc/06/21/92/203062192.db2.gz ZGRJSZIICCOAHU-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3)[C@H]2C1 ZINC000096244897 193597210 /nfs/dbraw/zinc/59/72/10/193597210.db2.gz GECVUQLMQLFSDU-WFASDCNBSA-N 1 2 315.398 1.805 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3)[C@H]2C1 ZINC000096244897 193597211 /nfs/dbraw/zinc/59/72/11/193597211.db2.gz GECVUQLMQLFSDU-WFASDCNBSA-N 1 2 315.398 1.805 40 0 DDABLO CCn1c(=O)c2ccccc2nc1SCC[NH+]1CCOCC1 ZINC000019523698 182127802 /nfs/dbraw/zinc/12/78/02/182127802.db2.gz XKXMSRWTSOCPLQ-UHFFFAOYSA-N 1 2 319.430 1.841 40 0 DDABLO Cc1noc(C[NH2+]Cc2cc3cccc4c3n(c2=O)CCC4)n1 ZINC000072206566 257127919 /nfs/dbraw/zinc/12/79/19/257127919.db2.gz STMLPGYKXLIWER-UHFFFAOYSA-N 1 2 310.357 1.929 40 0 DDABLO C[N@@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529862 406846938 /nfs/dbraw/zinc/84/69/38/406846938.db2.gz BSSPHPRNSFTSDC-STQMWFEESA-N 1 2 313.361 1.403 40 0 biogenic,in-vitro DDABLO C[N@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529862 406846939 /nfs/dbraw/zinc/84/69/39/406846939.db2.gz BSSPHPRNSFTSDC-STQMWFEESA-N 1 2 313.361 1.403 40 0 biogenic,in-vitro DDABLO CN(C)C(=O)COCc1noc2c1C[N@H+](Cc1ccoc1)CC2 ZINC000096260006 407258497 /nfs/dbraw/zinc/25/84/97/407258497.db2.gz NNTJGQOYCONFTI-UHFFFAOYSA-N 1 2 319.361 1.431 40 0 DDABLO CN(C)C(=O)COCc1noc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC000096260006 407258499 /nfs/dbraw/zinc/25/84/99/407258499.db2.gz NNTJGQOYCONFTI-UHFFFAOYSA-N 1 2 319.361 1.431 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccncc1 ZINC000096054264 407229742 /nfs/dbraw/zinc/22/97/42/407229742.db2.gz UXDUACWBFPVMTP-HZPDHXFCSA-N 1 2 313.357 1.286 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccncc1 ZINC000096054264 407229745 /nfs/dbraw/zinc/22/97/45/407229745.db2.gz UXDUACWBFPVMTP-HZPDHXFCSA-N 1 2 313.357 1.286 40 0 DDABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096062038 407232207 /nfs/dbraw/zinc/23/22/07/407232207.db2.gz PDDUZPWQIPFSOF-CYBMUJFWSA-N 1 2 311.393 1.438 40 0 DDABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096062038 407232208 /nfs/dbraw/zinc/23/22/08/407232208.db2.gz PDDUZPWQIPFSOF-CYBMUJFWSA-N 1 2 311.393 1.438 40 0 DDABLO c1cn2c([nH+]1)CN(Cc1ccccn1)C[C@H](Cn1cncn1)C2 ZINC000096188619 407245960 /nfs/dbraw/zinc/24/59/60/407245960.db2.gz VIZPRZITKYRZRF-AWEZNQCLSA-N 1 2 309.377 1.202 40 0 DDABLO COCc1cc(CC2([NH2+]Cc3ccc(CO)o3)COC2)no1 ZINC000067897972 407288779 /nfs/dbraw/zinc/28/87/79/407288779.db2.gz MYADDSIINRHTQY-UHFFFAOYSA-N 1 2 308.334 1.008 40 0 biogenic,in-vitro DDABLO Cc1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000097953628 407303501 /nfs/dbraw/zinc/30/35/01/407303501.db2.gz IISMYESZCKSFQE-HRCADAONSA-N 1 2 319.405 1.346 40 0 DDABLO Cc1cc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000097953628 407303503 /nfs/dbraw/zinc/30/35/03/407303503.db2.gz IISMYESZCKSFQE-HRCADAONSA-N 1 2 319.405 1.346 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C ZINC000257239411 407514004 /nfs/dbraw/zinc/51/40/04/407514004.db2.gz HPDLWKOKVZKEGT-HNNXBMFYSA-N 1 2 314.389 1.407 40 0 DDABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2S(C)(=O)=O)c1 ZINC000257253495 407521535 /nfs/dbraw/zinc/52/15/35/407521535.db2.gz JZDZYMORXVFVFZ-CYBMUJFWSA-N 1 2 307.375 1.408 40 0 DDABLO CCCCNc1ncc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218760957 407522963 /nfs/dbraw/zinc/52/29/63/407522963.db2.gz ZTAARXLPRIZHBG-CYBMUJFWSA-N 1 2 318.381 1.197 40 0 DDABLO CCCCNc1ncc(C[NH2+][C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218760957 407522968 /nfs/dbraw/zinc/52/29/68/407522968.db2.gz ZTAARXLPRIZHBG-CYBMUJFWSA-N 1 2 318.381 1.197 40 0 DDABLO COc1cccc(-c2nnsc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000225767294 407604361 /nfs/dbraw/zinc/60/43/61/407604361.db2.gz PBLQBGBEQYBTLA-UHFFFAOYSA-N 1 2 318.402 1.601 40 0 DDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](C(=O)N(C)C)C1 ZINC000248049710 408532140 /nfs/dbraw/zinc/53/21/40/408532140.db2.gz XDPXXMGZKHEJTI-LBPRGKRZSA-N 1 2 305.407 1.293 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)[nH+]cn1)C2 ZINC000329070635 410086716 /nfs/dbraw/zinc/08/67/16/410086716.db2.gz ZINYGYGQGMWRRI-GFCCVEGCSA-N 1 2 314.389 1.841 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)nc[nH+]1)C2 ZINC000329070635 410086721 /nfs/dbraw/zinc/08/67/21/410086721.db2.gz ZINYGYGQGMWRRI-GFCCVEGCSA-N 1 2 314.389 1.841 40 0 DDABLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC000096084752 279384879 /nfs/dbraw/zinc/38/48/79/279384879.db2.gz BIYCFBIXGWCZGB-ZDUSSCGKSA-N 1 2 321.425 1.030 40 0 DDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC000096084752 279384881 /nfs/dbraw/zinc/38/48/81/279384881.db2.gz BIYCFBIXGWCZGB-ZDUSSCGKSA-N 1 2 321.425 1.030 40 0 DDABLO NC(=O)C[NH+]1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 ZINC000012113656 295045655 /nfs/dbraw/zinc/04/56/55/295045655.db2.gz ZVWQMSUFNGBFCV-UHFFFAOYSA-N 1 2 308.765 1.625 40 0 DDABLO C[C@H]1CCCN(Cc2nnc(C[N@@H+]3CCC[C@H](C)C3)n2N)C1 ZINC000260571851 333226879 /nfs/dbraw/zinc/22/68/79/333226879.db2.gz DXUSSIXOLGBBSZ-KBPBESRZSA-N 1 2 306.458 1.456 40 0 DDABLO C[C@H]1CCCN(Cc2nnc(C[N@H+]3CCC[C@H](C)C3)n2N)C1 ZINC000260571851 333226880 /nfs/dbraw/zinc/22/68/80/333226880.db2.gz DXUSSIXOLGBBSZ-KBPBESRZSA-N 1 2 306.458 1.456 40 0 DDABLO Cc1cc(-n2cc[nH+]c2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360673 191131607 /nfs/dbraw/zinc/13/16/07/191131607.db2.gz FMCYFUZYZCJNIY-NSHDSACASA-N 1 2 307.379 1.067 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1ccnnc1)[C@@H]2C ZINC000585097295 354804692 /nfs/dbraw/zinc/80/46/92/354804692.db2.gz IBUZSOQLSNAGCB-GFCCVEGCSA-N 1 2 315.377 1.469 40 0 DDABLO CO[C@H]1CN(c2cc[nH+]c(C)n2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585276160 354820710 /nfs/dbraw/zinc/82/07/10/354820710.db2.gz MNEVEQAQJUZPNM-KBPBESRZSA-N 1 2 304.394 1.249 40 0 DDABLO CO[C@]1(COc2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585279510 354822198 /nfs/dbraw/zinc/82/21/98/354822198.db2.gz ZHMZFXIQGBONIJ-QGZVFWFLSA-N 1 2 315.373 1.649 40 0 DDABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674022 182011814 /nfs/dbraw/zinc/01/18/14/182011814.db2.gz VYAILTUAEGUCMR-HIFRSBDPSA-N 1 2 323.356 1.835 40 0 biogenic,in-vitro DDABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674022 182011815 /nfs/dbraw/zinc/01/18/15/182011815.db2.gz VYAILTUAEGUCMR-HIFRSBDPSA-N 1 2 323.356 1.835 40 0 biogenic,in-vitro DDABLO COC(=O)c1cccc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000120282401 195135209 /nfs/dbraw/zinc/13/52/09/195135209.db2.gz ZQICXUUIZGQZBO-UHFFFAOYSA-N 1 2 323.374 1.038 40 0 DDABLO CC(C)(C)NC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000012142791 406835515 /nfs/dbraw/zinc/83/55/15/406835515.db2.gz GVDHTETVJAADMK-UHFFFAOYSA-N 1 2 314.389 1.994 40 0 DDABLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)no1 ZINC000096217109 407251969 /nfs/dbraw/zinc/25/19/69/407251969.db2.gz KTLPMLUAYPBFHE-IACUBPJLSA-N 1 2 304.350 1.506 40 0 DDABLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)no1 ZINC000096217109 407251971 /nfs/dbraw/zinc/25/19/71/407251971.db2.gz KTLPMLUAYPBFHE-IACUBPJLSA-N 1 2 304.350 1.506 40 0 DDABLO Cn1cc[nH+]c1CN1CCc2onc(COCC3CC3)c2C1 ZINC000096085094 407235973 /nfs/dbraw/zinc/23/59/73/407235973.db2.gz RAWMETAQLNGQIH-UHFFFAOYSA-N 1 2 302.378 1.893 40 0 DDABLO c1cc(C[N@@H+]2CCCn3nnc(CN4CCOCC4)c3C2)co1 ZINC000096084745 407236268 /nfs/dbraw/zinc/23/62/68/407236268.db2.gz RTVHFDVFPDSTKJ-UHFFFAOYSA-N 1 2 317.393 1.109 40 0 DDABLO c1cc(C[N@H+]2CCCn3nnc(CN4CCOCC4)c3C2)co1 ZINC000096084745 407236270 /nfs/dbraw/zinc/23/62/70/407236270.db2.gz RTVHFDVFPDSTKJ-UHFFFAOYSA-N 1 2 317.393 1.109 40 0 DDABLO CN1CCN(S(=O)(=O)c2cccc(F)c2)Cc2ccc[nH+]c21 ZINC000096198812 407247244 /nfs/dbraw/zinc/24/72/44/407247244.db2.gz UZHWYEGLXSCRGX-UHFFFAOYSA-N 1 2 321.377 1.861 40 0 DDABLO COCc1cc(CC2([NH2+]Cc3ccccc3OC)COC2)no1 ZINC000067897976 407289330 /nfs/dbraw/zinc/28/93/30/407289330.db2.gz FCAOWNBESUROQS-UHFFFAOYSA-N 1 2 318.373 1.931 40 0 biogenic,in-vitro DDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257216906 407499532 /nfs/dbraw/zinc/49/95/32/407499532.db2.gz CWQCRVURQNJJFB-CYBMUJFWSA-N 1 2 315.377 1.565 40 0 DDABLO COc1cc(CCC(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)on1 ZINC000257271863 407529693 /nfs/dbraw/zinc/52/96/93/407529693.db2.gz NACKSLFFRVLFBK-LBPRGKRZSA-N 1 2 318.377 1.674 40 0 DDABLO CCN(CC)C(=O)C[N@@H+]1CCN(C(C)=O)[C@@H](c2ccccc2)C1 ZINC000257276573 279069046 /nfs/dbraw/zinc/06/90/46/279069046.db2.gz NUIKOGPXWASVQM-QGZVFWFLSA-N 1 2 317.433 1.760 40 0 DDABLO CCN(CC)C(=O)C[N@H+]1CCN(C(C)=O)[C@@H](c2ccccc2)C1 ZINC000257276573 279069049 /nfs/dbraw/zinc/06/90/49/279069049.db2.gz NUIKOGPXWASVQM-QGZVFWFLSA-N 1 2 317.433 1.760 40 0 DDABLO Cc1nc(I)c2c(c1C)C(=[NH2+])NC2=N ZINC000078547449 279087421 /nfs/dbraw/zinc/08/74/21/279087421.db2.gz OTSOMIWNCLWOCE-UHFFFAOYSA-N 1 2 300.103 1.347 40 0 DDABLO C[C@]1(O)C[N@H+](Cc2c[nH]cn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257237764 280171591 /nfs/dbraw/zinc/17/15/91/280171591.db2.gz HIBKEBHRWFHSRU-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)C[N@@H+](Cc2c[nH]cn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257237764 280171594 /nfs/dbraw/zinc/17/15/94/280171594.db2.gz HIBKEBHRWFHSRU-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)C[N@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257237764 280171596 /nfs/dbraw/zinc/17/15/96/280171596.db2.gz HIBKEBHRWFHSRU-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)C[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257237764 280171598 /nfs/dbraw/zinc/17/15/98/280171598.db2.gz HIBKEBHRWFHSRU-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)CN2CCCCCC2=O)[nH+]1 ZINC000257305213 302317727 /nfs/dbraw/zinc/31/77/27/302317727.db2.gz SOXSBZGNHLFOFH-CQSZACIVSA-N 1 2 318.421 1.795 40 0 DDABLO Cc1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F ZINC000138910224 354124653 /nfs/dbraw/zinc/12/46/53/354124653.db2.gz GVOQARWMFYFMJD-GHMZBOCLSA-N 1 2 300.380 1.788 40 0 DDABLO O=C1N(CC2CC2)CC[C@@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093494 354802907 /nfs/dbraw/zinc/80/29/07/354802907.db2.gz ZRQQZWRAVGENFA-OAHLLOKOSA-N 1 2 324.375 1.879 40 0 DDABLO O=C1N(CC2CC2)CC[C@@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093494 354802909 /nfs/dbraw/zinc/80/29/09/354802909.db2.gz ZRQQZWRAVGENFA-OAHLLOKOSA-N 1 2 324.375 1.879 40 0 DDABLO Cc1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)no1 ZINC000257297815 203022449 /nfs/dbraw/zinc/02/24/49/203022449.db2.gz RIWXGEMLQUIKFU-MRXNPFEDSA-N 1 2 316.361 1.139 40 0 DDABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257304114 203027104 /nfs/dbraw/zinc/02/71/04/203027104.db2.gz SKDNTDNQRJEFGK-ZDUSSCGKSA-N 1 2 309.377 1.765 40 0 DDABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257304114 203027108 /nfs/dbraw/zinc/02/71/08/203027108.db2.gz SKDNTDNQRJEFGK-ZDUSSCGKSA-N 1 2 309.377 1.765 40 0 DDABLO CCn1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)cn1 ZINC000257304055 203028528 /nfs/dbraw/zinc/02/85/28/203028528.db2.gz SJXCJOUJJUUZFX-CYBMUJFWSA-N 1 2 301.394 1.965 40 0 DDABLO C[N@@H+]1CCN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1c1ccccc1 ZINC000257306420 203031093 /nfs/dbraw/zinc/03/10/93/203031093.db2.gz SUEYMBFPKSMXBT-CQSZACIVSA-N 1 2 306.391 1.087 40 0 DDABLO C[N@H+]1CCN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1c1ccccc1 ZINC000257306420 203031098 /nfs/dbraw/zinc/03/10/98/203031098.db2.gz SUEYMBFPKSMXBT-CQSZACIVSA-N 1 2 306.391 1.087 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCCC[C@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257294019 203019341 /nfs/dbraw/zinc/01/93/41/203019341.db2.gz QSBYPWZPWWAPGI-LBPRGKRZSA-N 1 2 323.422 1.572 40 0 DDABLO O=C(c1ccnn1C(F)F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019401807 182121964 /nfs/dbraw/zinc/12/19/64/182121964.db2.gz YZBKDJCWTAUBHM-UHFFFAOYSA-N 1 2 321.331 1.631 40 0 DDABLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000020725179 182244420 /nfs/dbraw/zinc/24/44/20/182244420.db2.gz WJJFJUBWQAAOEM-ZNMIVQPWSA-N 1 2 314.426 1.327 40 0 DDABLO CCn1cc(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000022238452 182314038 /nfs/dbraw/zinc/31/40/38/182314038.db2.gz WGWHQIBLOFTACY-JTQLQIEISA-N 1 2 300.790 1.007 40 0 DDABLO CCCNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000043468156 183366085 /nfs/dbraw/zinc/36/60/85/183366085.db2.gz YYZHMZXHWSBPSW-UHFFFAOYSA-N 1 2 305.378 1.653 40 0 DDABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)N1CCCC1 ZINC000012142782 406835290 /nfs/dbraw/zinc/83/52/90/406835290.db2.gz XHGRRMZIZJQMDE-UHFFFAOYSA-N 1 2 312.373 1.701 40 0 DDABLO CC(=O)N(C)Cc1ncn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096259276 407257575 /nfs/dbraw/zinc/25/75/75/407257575.db2.gz LSTZHSGQKODULR-UHFFFAOYSA-N 1 2 302.378 1.860 40 0 DDABLO CC(=O)N(C)Cc1ncn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096259276 407257577 /nfs/dbraw/zinc/25/75/77/407257577.db2.gz LSTZHSGQKODULR-UHFFFAOYSA-N 1 2 302.378 1.860 40 0 DDABLO CNC(=O)C[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC000096259987 407258068 /nfs/dbraw/zinc/25/80/68/407258068.db2.gz WFJKGWXNUWWONP-UHFFFAOYSA-N 1 2 318.377 1.145 40 0 DDABLO CNC(=O)C[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC000096259987 407258069 /nfs/dbraw/zinc/25/80/69/407258069.db2.gz WFJKGWXNUWWONP-UHFFFAOYSA-N 1 2 318.377 1.145 40 0 DDABLO c1c[nH+]c(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)[nH]1 ZINC000096296182 407258195 /nfs/dbraw/zinc/25/81/95/407258195.db2.gz NPLOTAJWVQQUDS-AWEZNQCLSA-N 1 2 310.361 1.768 40 0 biogenic,in-vitro DDABLO Cn1cccc1C(=O)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061815 407231427 /nfs/dbraw/zinc/23/14/27/407231427.db2.gz KLGOJOYRIACCQU-UHFFFAOYSA-N 1 2 310.361 1.122 40 0 DDABLO Cc1nc(N2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cc[nH+]1 ZINC000072385858 191144376 /nfs/dbraw/zinc/14/43/76/191144376.db2.gz XPKFOARSFOHFCF-LLVKDONJSA-N 1 2 321.406 1.296 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)[C@@H]1CCCS1)[C@@H]2C ZINC000585098708 354805873 /nfs/dbraw/zinc/80/58/73/354805873.db2.gz XQUMVUCGGSMPAN-YPMHNXCESA-N 1 2 309.435 1.871 40 0 DDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)o1 ZINC000585110904 354809558 /nfs/dbraw/zinc/80/95/58/354809558.db2.gz XZVZFPMUOLCFSA-AWEZNQCLSA-N 1 2 314.389 1.653 40 0 DDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)o1 ZINC000585110904 354809560 /nfs/dbraw/zinc/80/95/60/354809560.db2.gz XZVZFPMUOLCFSA-AWEZNQCLSA-N 1 2 314.389 1.653 40 0 DDABLO Cn1ccc(C[N@@H+]2CCC[C@@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269289 354818718 /nfs/dbraw/zinc/81/87/18/354818718.db2.gz OHXPVNQFMDUVAW-KRWDZBQOSA-N 1 2 319.380 1.965 40 0 DDABLO Cn1ccc(C[N@H+]2CCC[C@@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269289 354818719 /nfs/dbraw/zinc/81/87/19/354818719.db2.gz OHXPVNQFMDUVAW-KRWDZBQOSA-N 1 2 319.380 1.965 40 0 DDABLO Cc1ccccc1C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC000585280083 354823253 /nfs/dbraw/zinc/82/32/53/354823253.db2.gz YAOOSHGVGQYRGU-NVXWUHKLSA-N 1 2 313.401 1.713 40 0 DDABLO C[C@@]1(C(N)=O)C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257274843 203004425 /nfs/dbraw/zinc/00/44/25/203004425.db2.gz NMWJOEBJXUEUCU-AWEZNQCLSA-N 1 2 306.391 1.214 40 0 DDABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257274843 203004429 /nfs/dbraw/zinc/00/44/29/203004429.db2.gz NMWJOEBJXUEUCU-AWEZNQCLSA-N 1 2 306.391 1.214 40 0 DDABLO Cc1c(C[N@@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)cnn1C ZINC000257308219 203032867 /nfs/dbraw/zinc/03/28/67/203032867.db2.gz TVWRXGLRRRATOO-AWEZNQCLSA-N 1 2 303.366 1.106 40 0 DDABLO Cc1c(C[N@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)cnn1C ZINC000257308219 203032872 /nfs/dbraw/zinc/03/28/72/203032872.db2.gz TVWRXGLRRRATOO-AWEZNQCLSA-N 1 2 303.366 1.106 40 0 DDABLO C[NH+](C)Cc1cnc([C@@H]2CN(Cc3ccccn3)CCO2)[nH]1 ZINC000257316294 203040661 /nfs/dbraw/zinc/04/06/61/203040661.db2.gz VEZDJMIWSYJNGB-HNNXBMFYSA-N 1 2 301.394 1.440 40 0 DDABLO O=S(=O)(Cc1ccccc1)N1CCO[C@H](Cn2cc[nH+]c2)C1 ZINC000019372738 182120973 /nfs/dbraw/zinc/12/09/73/182120973.db2.gz AXWRHFWOHJPYAU-OAHLLOKOSA-N 1 2 321.402 1.114 40 0 DDABLO CCOc1ccc(C)cc1S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000041091678 183164617 /nfs/dbraw/zinc/16/46/17/183164617.db2.gz SPMQOYVPHZZVEM-UHFFFAOYSA-N 1 2 312.435 1.720 40 0 DDABLO CCn1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000027062253 406908280 /nfs/dbraw/zinc/90/82/80/406908280.db2.gz BGZBOURTZGSATF-UHFFFAOYSA-N 1 2 314.389 1.988 40 0 DDABLO O=C1COC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)CN1 ZINC000085652903 407103397 /nfs/dbraw/zinc/10/33/97/407103397.db2.gz LRHIIOKCMVKWJB-UHFFFAOYSA-N 1 2 308.381 1.977 40 0 DDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccco2)CCO3)o1 ZINC000096049185 407227088 /nfs/dbraw/zinc/22/70/88/407227088.db2.gz NTZLKKKXDFFXJH-INIZCTEOSA-N 1 2 318.377 1.842 40 0 DDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccco2)CCO3)o1 ZINC000096049185 407227090 /nfs/dbraw/zinc/22/70/90/407227090.db2.gz NTZLKKKXDFFXJH-INIZCTEOSA-N 1 2 318.377 1.842 40 0 DDABLO Cn1nc(C(=O)N2CCCC2)c2c1C[N@H+](CC1CCOCC1)C2 ZINC000096066721 407233709 /nfs/dbraw/zinc/23/37/09/407233709.db2.gz GLWITEDEQQQGLN-UHFFFAOYSA-N 1 2 318.421 1.398 40 0 DDABLO Cn1nc(C(=O)N2CCCC2)c2c1C[N@@H+](CC1CCOCC1)C2 ZINC000096066721 407233711 /nfs/dbraw/zinc/23/37/11/407233711.db2.gz GLWITEDEQQQGLN-UHFFFAOYSA-N 1 2 318.421 1.398 40 0 DDABLO Cc1occc1C(=O)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096201141 407248653 /nfs/dbraw/zinc/24/86/53/407248653.db2.gz MHEKZUYVLSYYQU-UHFFFAOYSA-N 1 2 312.333 1.080 40 0 DDABLO O=C(C[C@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)N1CCC1 ZINC000096215531 407250473 /nfs/dbraw/zinc/25/04/73/407250473.db2.gz FDYJOBWMPAVQOM-YNEHKIRRSA-N 1 2 307.419 1.355 40 0 DDABLO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)N1CCC1 ZINC000096215531 407250476 /nfs/dbraw/zinc/25/04/76/407250476.db2.gz FDYJOBWMPAVQOM-YNEHKIRRSA-N 1 2 307.419 1.355 40 0 DDABLO CN1[C@@H]2C[C@@H](NC(=O)c3n[nH]c4ccccc43)C[C@H]1C[N@@H+](C)C2 ZINC000100102461 407307107 /nfs/dbraw/zinc/30/71/07/407307107.db2.gz MHNNVDILNTUWNS-XYYAHUGASA-N 1 2 313.405 1.070 40 0 in-man DDABLO CN1[C@@H]2C[C@@H](NC(=O)c3n[nH]c4ccccc43)C[C@H]1C[N@H+](C)C2 ZINC000100102461 407307108 /nfs/dbraw/zinc/30/71/08/407307108.db2.gz MHNNVDILNTUWNS-XYYAHUGASA-N 1 2 313.405 1.070 40 0 in-man DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccccc2F)[nH+]1 ZINC000257230612 407507474 /nfs/dbraw/zinc/50/74/74/407507474.db2.gz GDBPXHMLXAYSPK-CYBMUJFWSA-N 1 2 319.336 1.836 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)[nH+]1 ZINC000257247960 407516241 /nfs/dbraw/zinc/51/62/41/407516241.db2.gz JBJDQUMYLADRAD-LLVKDONJSA-N 1 2 309.395 1.020 40 0 DDABLO COc1ccc(S(=O)(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257262759 407525261 /nfs/dbraw/zinc/52/52/61/407525261.db2.gz LMTOYLBSRUDPGZ-LBPRGKRZSA-N 1 2 321.402 1.905 40 0 DDABLO c1cc(-c2cc(NC[C@H]3CCCO3)nc(NC3CC3)[nH+]2)ccn1 ZINC000329065391 410081647 /nfs/dbraw/zinc/08/16/47/410081647.db2.gz XQTGVXHVVUCANB-CQSZACIVSA-N 1 2 311.389 1.548 40 0 DDABLO c1cn(-c2nccnc2[C@@H]2CCCN(c3ncccn3)C2)c[nH+]1 ZINC000072359250 191130028 /nfs/dbraw/zinc/13/00/28/191130028.db2.gz YDLBADVOCPHLJV-CYBMUJFWSA-N 1 2 307.361 1.836 40 0 DDABLO CS(=O)(=O)N1CCC[C@H](Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000072364651 191132906 /nfs/dbraw/zinc/13/29/06/191132906.db2.gz IVWUYMCHOCYPKC-OAHLLOKOSA-N 1 2 323.462 1.896 40 0 DDABLO Cc1nc(Nc2ncccn2)cc(C2CN(Cc3[nH]cc[nH+]3)C2)n1 ZINC000072382780 191143230 /nfs/dbraw/zinc/14/32/30/191143230.db2.gz KXBPUBQMHBATRB-UHFFFAOYSA-N 1 2 322.376 1.641 40 0 DDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)o1 ZINC000585110795 354809570 /nfs/dbraw/zinc/80/95/70/354809570.db2.gz GXZYUVPYKCBXHX-CQSZACIVSA-N 1 2 316.405 1.946 40 0 DDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)NC(C)C)C2)o1 ZINC000585110795 354809573 /nfs/dbraw/zinc/80/95/73/354809573.db2.gz GXZYUVPYKCBXHX-CQSZACIVSA-N 1 2 316.405 1.946 40 0 DDABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000585279489 354822709 /nfs/dbraw/zinc/82/27/09/354822709.db2.gz ZTFVVSPHOSKNDW-OAHLLOKOSA-N 1 2 312.797 1.433 40 0 DDABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000585279489 354822714 /nfs/dbraw/zinc/82/27/14/354822714.db2.gz ZTFVVSPHOSKNDW-OAHLLOKOSA-N 1 2 312.797 1.433 40 0 DDABLO CN(C(=O)c1cncc(-c2ccc(N)[nH+]c2)c1)C1CCOCC1 ZINC000257303494 203027808 /nfs/dbraw/zinc/02/78/08/203027808.db2.gz SHMRIVPYBPKOEG-UHFFFAOYSA-N 1 2 312.373 1.977 40 0 DDABLO CN(C)c1cccc(CC[C@@H]2CCCCN2S(C)(=O)=O)[nH+]1 ZINC000257284974 203011813 /nfs/dbraw/zinc/01/18/13/203011813.db2.gz PFCRAWCTKZCQLT-AWEZNQCLSA-N 1 2 311.451 1.894 40 0 DDABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000020112425 182188523 /nfs/dbraw/zinc/18/85/23/182188523.db2.gz UYOTYQRZENRGKP-MRXNPFEDSA-N 1 2 320.433 1.909 40 0 DDABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1coc3ccccc3c1=O)CC2 ZINC000012733189 406850773 /nfs/dbraw/zinc/85/07/73/406850773.db2.gz NVHXEVHGQBKMFM-UHFFFAOYSA-N 1 2 323.352 1.743 40 0 DDABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1coc3ccccc3c1=O)CC2 ZINC000012733189 406850777 /nfs/dbraw/zinc/85/07/77/406850777.db2.gz NVHXEVHGQBKMFM-UHFFFAOYSA-N 1 2 323.352 1.743 40 0 DDABLO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000014400066 406874923 /nfs/dbraw/zinc/87/49/23/406874923.db2.gz VKYCQGVHVYHBSM-INIZCTEOSA-N 1 2 322.405 1.301 40 0 DDABLO O=C(c1ccccn1)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096217673 407252178 /nfs/dbraw/zinc/25/21/78/407252178.db2.gz UNJBDUCFOVPFEB-KDOFPFPSSA-N 1 2 324.384 1.677 40 0 DDABLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096255853 407257326 /nfs/dbraw/zinc/25/73/26/407257326.db2.gz KATXEZPRZIGJFE-UHFFFAOYSA-N 1 2 301.394 1.777 40 0 DDABLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096255853 407257329 /nfs/dbraw/zinc/25/73/29/407257329.db2.gz KATXEZPRZIGJFE-UHFFFAOYSA-N 1 2 301.394 1.777 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3onc(COCC4CC4)c3C2)cn1 ZINC000096260015 407258034 /nfs/dbraw/zinc/25/80/34/407258034.db2.gz SACJJSDHNFJOHD-UHFFFAOYSA-N 1 2 302.378 1.893 40 0 DDABLO Cn1cc(C[N@H+]2CCc3onc(COCC4CC4)c3C2)cn1 ZINC000096260015 407258036 /nfs/dbraw/zinc/25/80/36/407258036.db2.gz SACJJSDHNFJOHD-UHFFFAOYSA-N 1 2 302.378 1.893 40 0 DDABLO c1csc(C[N@H+]2CCc3ncc(Cn4cncn4)n3CC2)n1 ZINC000096196983 407247453 /nfs/dbraw/zinc/24/74/53/407247453.db2.gz OHAYBJQXCVKJSX-UHFFFAOYSA-N 1 2 315.406 1.038 40 0 DDABLO c1csc(C[N@@H+]2CCc3ncc(Cn4cncn4)n3CC2)n1 ZINC000096196983 407247455 /nfs/dbraw/zinc/24/74/55/407247455.db2.gz OHAYBJQXCVKJSX-UHFFFAOYSA-N 1 2 315.406 1.038 40 0 DDABLO C[C@@H]1C[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096469904 407269753 /nfs/dbraw/zinc/26/97/53/407269753.db2.gz MISBPLBNETWOBD-MWQQHZPXSA-N 1 2 315.417 1.690 40 0 DDABLO C[C@@H]1C[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096469904 407269755 /nfs/dbraw/zinc/26/97/55/407269755.db2.gz MISBPLBNETWOBD-MWQQHZPXSA-N 1 2 315.417 1.690 40 0 DDABLO c1cc(C[N@H+]2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccn1 ZINC000108222891 407382911 /nfs/dbraw/zinc/38/29/11/407382911.db2.gz WJZCSFWLMAHCAB-HOTGVXAUSA-N 1 2 311.389 1.209 40 0 DDABLO Cn1nccc1CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257201385 407490463 /nfs/dbraw/zinc/49/04/63/407490463.db2.gz AHMHDBNFKALEEN-CQSZACIVSA-N 1 2 313.405 1.533 40 0 DDABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](c2nc(C)cn2C)C1 ZINC000257220282 407501119 /nfs/dbraw/zinc/50/11/19/407501119.db2.gz DKGCEMSWNIOIAU-CQSZACIVSA-N 1 2 301.394 1.739 40 0 DDABLO CNc1ncccc1C[N@H+]1CCO[C@@H](c2nc(C)cn2C)C1 ZINC000257220282 407501126 /nfs/dbraw/zinc/50/11/26/407501126.db2.gz DKGCEMSWNIOIAU-CQSZACIVSA-N 1 2 301.394 1.739 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2cc(C)on2)n1 ZINC000257225790 407503916 /nfs/dbraw/zinc/50/39/16/407503916.db2.gz FHVSMZNZJRDLJN-MRXNPFEDSA-N 1 2 315.377 1.746 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2cc(C)on2)n1 ZINC000257225790 407503920 /nfs/dbraw/zinc/50/39/20/407503920.db2.gz FHVSMZNZJRDLJN-MRXNPFEDSA-N 1 2 315.377 1.746 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)[nH+]1 ZINC000257229868 407506473 /nfs/dbraw/zinc/50/64/73/407506473.db2.gz FZTVLMMLCQNQQX-ZDUSSCGKSA-N 1 2 300.362 1.405 40 0 DDABLO CC(C)OC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000225450581 407586485 /nfs/dbraw/zinc/58/64/85/407586485.db2.gz ACZOKOPRUPODGP-UHFFFAOYSA-N 1 2 307.394 1.578 40 0 DDABLO Cc1ocnc1C(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257265908 407527336 /nfs/dbraw/zinc/52/73/36/407527336.db2.gz MAWCPDGNBPHXQM-MRXNPFEDSA-N 1 2 316.361 1.091 40 0 DDABLO Cc1nc([C@@H]2C[N@H+](Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1 ZINC000257269773 407529356 /nfs/dbraw/zinc/52/93/56/407529356.db2.gz MRILGLUETOTPKH-HNNXBMFYSA-N 1 2 317.393 1.842 40 0 DDABLO Cc1nc([C@@H]2C[N@@H+](Cc3ccnn3C(C)C)CCO2)cc(=O)[nH]1 ZINC000257269773 407529366 /nfs/dbraw/zinc/52/93/66/407529366.db2.gz MRILGLUETOTPKH-HNNXBMFYSA-N 1 2 317.393 1.842 40 0 DDABLO CCOC(=O)[C@H]1Cn2c[nH+]cc2CN(C(=O)OC(C)(C)C)C1 ZINC000306141965 409771375 /nfs/dbraw/zinc/77/13/75/409771375.db2.gz WLIXGQMIMFMQML-LLVKDONJSA-N 1 2 309.366 1.813 40 0 DDABLO C[NH+](C)CN1c2ccccc2[C@]2(NC(=O)c3ccccc3O2)C1=O ZINC000014608285 289186085 /nfs/dbraw/zinc/18/60/85/289186085.db2.gz CYBZRAMBFMZSKG-GOSISDBHSA-N 1 2 323.352 1.528 40 0 DDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256054913 741614619 /nfs/dbraw/zinc/61/46/19/741614619.db2.gz YIJDDJMBOMMVRS-UHFFFAOYSA-N 1 2 305.279 1.910 40 0 DDABLO C[C@@]1(C(=O)N2CCOCC2)C[N@H+](Cc2ccccc2F)CCO1 ZINC000072379399 191141051 /nfs/dbraw/zinc/14/10/51/191141051.db2.gz SHPWYOUSTUKXRZ-KRWDZBQOSA-N 1 2 322.380 1.275 40 0 DDABLO C[C@@]1(C(=O)N2CCOCC2)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000072379399 191141053 /nfs/dbraw/zinc/14/10/53/191141053.db2.gz SHPWYOUSTUKXRZ-KRWDZBQOSA-N 1 2 322.380 1.275 40 0 DDABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)N2CCCO2)C1 ZINC000585096039 354804325 /nfs/dbraw/zinc/80/43/25/354804325.db2.gz OGHGEAYZTWLPTH-ZDUSSCGKSA-N 1 2 306.366 1.121 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)[nH+]1 ZINC000257300420 203026296 /nfs/dbraw/zinc/02/62/96/203026296.db2.gz RUEJYRSETJHWRC-LLVKDONJSA-N 1 2 301.350 1.542 40 0 DDABLO CC(C)Oc1ccc([C@@H]2CN(S(C)(=O)=O)CC[N@@H+]2C)cc1 ZINC000257302227 203027391 /nfs/dbraw/zinc/02/73/91/203027391.db2.gz SCAFDUOJKDLGET-HNNXBMFYSA-N 1 2 312.435 1.722 40 0 DDABLO CC(C)Oc1ccc([C@@H]2CN(S(C)(=O)=O)CC[N@H+]2C)cc1 ZINC000257302227 203027395 /nfs/dbraw/zinc/02/73/95/203027395.db2.gz SCAFDUOJKDLGET-HNNXBMFYSA-N 1 2 312.435 1.722 40 0 DDABLO CN(C(=O)Cc1ccsc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257278396 203006797 /nfs/dbraw/zinc/00/67/97/203006797.db2.gz OCBWHSCBYKXCHY-UMVBOHGHSA-N 1 2 305.403 1.710 40 0 DDABLO Cc1cncc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1 ZINC000257338604 203060075 /nfs/dbraw/zinc/06/00/75/203060075.db2.gz YYDWEUQYTRKGBY-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cncc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1 ZINC000257338604 203060079 /nfs/dbraw/zinc/06/00/79/203060079.db2.gz YYDWEUQYTRKGBY-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1ccccn1 ZINC000012113253 406834519 /nfs/dbraw/zinc/83/45/19/406834519.db2.gz WDANQNGEYKGUQC-UHFFFAOYSA-N 1 2 312.373 1.399 40 0 DDABLO CCc1cc(CNc2cc([C@H]3C[N@H+](C)CCO3)nc(C)n2)on1 ZINC000072387894 406881882 /nfs/dbraw/zinc/88/18/82/406881882.db2.gz HRSUJLFATIRCIU-OAHLLOKOSA-N 1 2 317.393 1.951 40 0 DDABLO CCc1cc(CNc2cc([C@H]3C[N@@H+](C)CCO3)nc(C)n2)on1 ZINC000072387894 406881885 /nfs/dbraw/zinc/88/18/85/406881885.db2.gz HRSUJLFATIRCIU-OAHLLOKOSA-N 1 2 317.393 1.951 40 0 DDABLO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@@H+]1CCOC[C@H]1C ZINC000079028975 407049152 /nfs/dbraw/zinc/04/91/52/407049152.db2.gz KBCRAKQMYGMZRS-ZNMIVQPWSA-N 1 2 320.437 1.893 40 0 DDABLO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@H+]1CCOC[C@H]1C ZINC000079028975 407049153 /nfs/dbraw/zinc/04/91/53/407049153.db2.gz KBCRAKQMYGMZRS-ZNMIVQPWSA-N 1 2 320.437 1.893 40 0 DDABLO CCN1CCN(C)C2(CC[NH+](Cc3nccs3)CC2)C1=O ZINC000096050040 407228500 /nfs/dbraw/zinc/22/85/00/407228500.db2.gz GYSBZSQSQFKOQE-UHFFFAOYSA-N 1 2 308.451 1.272 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccoc3)[C@@H]2C1 ZINC000096056697 407231240 /nfs/dbraw/zinc/23/12/40/407231240.db2.gz QOZJTAGBBUYGAG-ARFHVFGLSA-N 1 2 304.390 1.785 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccoc3)[C@@H]2C1 ZINC000096056697 407231242 /nfs/dbraw/zinc/23/12/42/407231242.db2.gz QOZJTAGBBUYGAG-ARFHVFGLSA-N 1 2 304.390 1.785 40 0 DDABLO O=S(=O)(C1CC1)N1CCc2onc(C[NH+]3CCCC3)c2C1 ZINC000096084819 407236049 /nfs/dbraw/zinc/23/60/49/407236049.db2.gz HKOXAACIPOVTPK-UHFFFAOYSA-N 1 2 311.407 1.121 40 0 DDABLO Cn1cc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cn1 ZINC000096187883 407245868 /nfs/dbraw/zinc/24/58/68/407245868.db2.gz IXAKKVRDIVTBPY-INIZCTEOSA-N 1 2 315.421 1.675 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cn1 ZINC000096187883 407245870 /nfs/dbraw/zinc/24/58/70/407245870.db2.gz IXAKKVRDIVTBPY-INIZCTEOSA-N 1 2 315.421 1.675 40 0 DDABLO CN(C)C(=O)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198955 407247774 /nfs/dbraw/zinc/24/77/74/407247774.db2.gz FVWBNIOYRMAKCB-UHFFFAOYSA-N 1 2 311.389 1.980 40 0 DDABLO COc1ccccc1C[N@@H+]1CCC[C@]1(C(N)=O)c1cnccn1 ZINC000257236281 407509375 /nfs/dbraw/zinc/50/93/75/407509375.db2.gz HBLPLIWUSPMGHQ-QGZVFWFLSA-N 1 2 312.373 1.462 40 0 DDABLO COc1ccccc1C[N@H+]1CCC[C@]1(C(N)=O)c1cnccn1 ZINC000257236281 407509379 /nfs/dbraw/zinc/50/93/79/407509379.db2.gz HBLPLIWUSPMGHQ-QGZVFWFLSA-N 1 2 312.373 1.462 40 0 DDABLO COc1ccccc1[C@@H]1CN(Cc2[nH]cc[nH+]2)CCN1C(C)=O ZINC000257228576 407506143 /nfs/dbraw/zinc/50/61/43/407506143.db2.gz FUJUDZALHCUVBR-HNNXBMFYSA-N 1 2 314.389 1.824 40 0 DDABLO Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000257238055 407510298 /nfs/dbraw/zinc/51/02/98/407510298.db2.gz HJJLLNTXPRFLCQ-SNVBAGLBSA-N 1 2 319.394 1.002 40 0 DDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cccnc3)CC[N@@H+]2C)c1 ZINC000257242174 407512973 /nfs/dbraw/zinc/51/29/73/407512973.db2.gz IBKIWNXVGBZKKL-GOSISDBHSA-N 1 2 324.428 1.930 40 0 DDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cccnc3)CC[N@H+]2C)c1 ZINC000257242174 407512977 /nfs/dbraw/zinc/51/29/77/407512977.db2.gz IBKIWNXVGBZKKL-GOSISDBHSA-N 1 2 324.428 1.930 40 0 DDABLO Cc1cc(CC2CCN(S(=O)(=O)c3cn[nH]c3)CC2)cc[nH+]1 ZINC000257265635 407526905 /nfs/dbraw/zinc/52/69/05/407526905.db2.gz LZQCUQJWCKJHEB-UHFFFAOYSA-N 1 2 320.418 1.757 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000257232825 277038251 /nfs/dbraw/zinc/03/82/51/277038251.db2.gz GMORKBQZEJJLFY-AWEZNQCLSA-N 1 2 314.393 1.183 40 0 DDABLO CN1c2[nH+]cccc2CN(C(=O)NC2CCC2)CC[C@H]1CO ZINC000225493167 290322211 /nfs/dbraw/zinc/32/22/11/290322211.db2.gz WMTHRTKYITXUIQ-AWEZNQCLSA-N 1 2 304.394 1.347 40 0 biogenic,in-vitro DDABLO O=C(c1ccoc1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306132133 231088173 /nfs/dbraw/zinc/08/81/73/231088173.db2.gz KZTHMTLBEXQQMA-RRFJBIMHSA-N 1 2 313.357 1.874 40 0 DDABLO CS(=O)(=O)N1CCC[C@@H](Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000072364652 191132603 /nfs/dbraw/zinc/13/26/03/191132603.db2.gz IVWUYMCHOCYPKC-HNNXBMFYSA-N 1 2 323.462 1.896 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1ccnc3ccccc31)C2 ZINC000585094932 354803496 /nfs/dbraw/zinc/80/34/96/354803496.db2.gz VADVQCXNLPQVGT-LBPRGKRZSA-N 1 2 322.368 1.528 40 0 DDABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+](CC(C)C)C3)C1 ZINC000585112721 354810405 /nfs/dbraw/zinc/81/04/05/354810405.db2.gz UKEOXKYVOGBJGM-LBPRGKRZSA-N 1 2 307.394 1.550 40 0 DDABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+](CC(C)C)C3)C1 ZINC000585112721 354810407 /nfs/dbraw/zinc/81/04/07/354810407.db2.gz UKEOXKYVOGBJGM-LBPRGKRZSA-N 1 2 307.394 1.550 40 0 DDABLO Cc1cc(N2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)nc[nH+]1 ZINC000585182020 354817664 /nfs/dbraw/zinc/81/76/64/354817664.db2.gz DTGREDUUOIFCOK-LLVKDONJSA-N 1 2 321.406 1.643 40 0 DDABLO O[C@@]1(COc2ccc(F)cc2)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275132 354819321 /nfs/dbraw/zinc/81/93/21/354819321.db2.gz XWXJZTWTFDFZCD-INIZCTEOSA-N 1 2 305.353 1.955 40 0 DDABLO O[C@@]1(COc2ccc(F)cc2)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275132 354819324 /nfs/dbraw/zinc/81/93/24/354819324.db2.gz XWXJZTWTFDFZCD-INIZCTEOSA-N 1 2 305.353 1.955 40 0 DDABLO O[C@]1(COc2ccccc2)COCCN(Cc2[nH]cc[nH+]2)C1 ZINC000585277951 354821773 /nfs/dbraw/zinc/82/17/73/354821773.db2.gz ZDXSPEJDQHAGCD-INIZCTEOSA-N 1 2 303.362 1.052 40 0 DDABLO NC(=O)C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257295337 203022018 /nfs/dbraw/zinc/02/20/18/203022018.db2.gz QXXSTEMBCCFSIC-SUMWQHHRSA-N 1 2 319.380 1.139 40 0 DDABLO NC(=O)C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257295337 203022022 /nfs/dbraw/zinc/02/20/22/203022022.db2.gz QXXSTEMBCCFSIC-SUMWQHHRSA-N 1 2 319.380 1.139 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2cc(Cl)cn2)[nH+]1 ZINC000257301393 203026060 /nfs/dbraw/zinc/02/60/60/203026060.db2.gz RYHIONQHCQZJNR-LLVKDONJSA-N 1 2 309.757 1.168 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257309686 203033453 /nfs/dbraw/zinc/03/34/53/203033453.db2.gz UBYAWFYFNADGLR-AWEZNQCLSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257309686 203033457 /nfs/dbraw/zinc/03/34/57/203033457.db2.gz UBYAWFYFNADGLR-AWEZNQCLSA-N 1 2 317.418 1.906 40 0 DDABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](CCc2ccncn2)C1 ZINC000257342110 203064034 /nfs/dbraw/zinc/06/40/34/203064034.db2.gz ZNDCIMYUOJUDCU-INIZCTEOSA-N 1 2 313.405 1.747 40 0 DDABLO CNc1ncccc1C[N@H+]1CCO[C@@H](CCc2ccncn2)C1 ZINC000257342110 203064039 /nfs/dbraw/zinc/06/40/39/203064039.db2.gz ZNDCIMYUOJUDCU-INIZCTEOSA-N 1 2 313.405 1.747 40 0 DDABLO c1c[nH]c(C[N@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257343021 203064563 /nfs/dbraw/zinc/06/45/63/203064563.db2.gz ZRBWSJIXRBMGSI-AWEZNQCLSA-N 1 2 311.389 1.977 40 0 DDABLO c1c[nH]c(C[N@@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257343021 203064565 /nfs/dbraw/zinc/06/45/65/203064565.db2.gz ZRBWSJIXRBMGSI-AWEZNQCLSA-N 1 2 311.389 1.977 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257342548 203065336 /nfs/dbraw/zinc/06/53/36/203065336.db2.gz ZPEFYSDTNNRWOP-UHFFFAOYSA-N 1 2 310.361 1.332 40 0 DDABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]1O2 ZINC000096253079 193602361 /nfs/dbraw/zinc/60/23/61/193602361.db2.gz WFYNBOMGGVTTOY-OWCLPIDISA-N 1 2 301.390 1.340 40 0 DDABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]1O2 ZINC000096253079 193602363 /nfs/dbraw/zinc/60/23/63/193602363.db2.gz WFYNBOMGGVTTOY-OWCLPIDISA-N 1 2 301.390 1.340 40 0 DDABLO C[C@@H](O)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022858734 296199279 /nfs/dbraw/zinc/19/92/79/296199279.db2.gz DZJBWPMAQOFXPB-BPQIPLTHSA-N 1 2 320.433 1.142 40 0 DDABLO Cc1csc(C[N@@H+]2C[C@H]3OC[C@@H](Cc4nc(C)no4)[C@H]3C2)n1 ZINC000096219025 256553813 /nfs/dbraw/zinc/55/38/13/256553813.db2.gz QWMVELWLUVNUPM-JHJVBQTASA-N 1 2 320.418 1.832 40 0 DDABLO Cc1csc(C[N@H+]2C[C@H]3OC[C@@H](Cc4nc(C)no4)[C@H]3C2)n1 ZINC000096219025 256553815 /nfs/dbraw/zinc/55/38/15/256553815.db2.gz QWMVELWLUVNUPM-JHJVBQTASA-N 1 2 320.418 1.832 40 0 DDABLO C[NH+]1CCN(C(=O)CSc2ncn(-c3ccccc3)n2)CC1 ZINC000008091770 406777254 /nfs/dbraw/zinc/77/72/54/406777254.db2.gz PORRBDNLGGHXID-UHFFFAOYSA-N 1 2 317.418 1.133 40 0 DDABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)NCc1ccco1 ZINC000013266172 406861798 /nfs/dbraw/zinc/86/17/98/406861798.db2.gz KBSOVABUHLCCHZ-UHFFFAOYSA-N 1 2 315.373 1.274 40 0 DDABLO Cc1ccc(OCCCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000014398176 406874725 /nfs/dbraw/zinc/87/47/25/406874725.db2.gz BXGKOGZHTSDWHG-UHFFFAOYSA-N 1 2 306.406 1.602 40 0 DDABLO CC[C@H](Oc1cccc(C)c1C)C(=O)NCC[NH+]1CCOCC1 ZINC000030851694 406935382 /nfs/dbraw/zinc/93/53/82/406935382.db2.gz XJOHMPJAAJDJKJ-INIZCTEOSA-N 1 2 320.433 1.909 40 0 DDABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096252897 407257537 /nfs/dbraw/zinc/25/75/37/407257537.db2.gz QIMZHDZZBBFJMF-IJEWVQPXSA-N 1 2 306.381 1.940 40 0 DDABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096252897 407257539 /nfs/dbraw/zinc/25/75/39/407257539.db2.gz QIMZHDZZBBFJMF-IJEWVQPXSA-N 1 2 306.381 1.940 40 0 DDABLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1cnn(C)c1)C2 ZINC000096259710 407257886 /nfs/dbraw/zinc/25/78/86/407257886.db2.gz YTEJQQGJABBNGQ-UHFFFAOYSA-N 1 2 317.441 1.258 40 0 DDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1cnn(C)c1)C2 ZINC000096259710 407257889 /nfs/dbraw/zinc/25/78/89/407257889.db2.gz YTEJQQGJABBNGQ-UHFFFAOYSA-N 1 2 317.441 1.258 40 0 DDABLO Cn1ccnc1C[NH+]1CCC2(CCN2C(=O)c2ccco2)CC1 ZINC000096078018 407234924 /nfs/dbraw/zinc/23/49/24/407234924.db2.gz LSPDMTQSIJSPSA-UHFFFAOYSA-N 1 2 314.389 1.894 40 0 DDABLO CS(=O)(=O)N1CCC[C@]12CC[N@H+](Cc1nccs1)C2 ZINC000096203055 407250042 /nfs/dbraw/zinc/25/00/42/407250042.db2.gz QOODGSPYCYWVPJ-GFCCVEGCSA-N 1 2 301.437 1.143 40 0 DDABLO CS(=O)(=O)N1CCC[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096203055 407250045 /nfs/dbraw/zinc/25/00/45/407250045.db2.gz QOODGSPYCYWVPJ-GFCCVEGCSA-N 1 2 301.437 1.143 40 0 DDABLO C[C@@]1(c2ncc(CNC(=O)Cn3cc[nH+]c3)cn2)CCCCO1 ZINC000257231394 407506112 /nfs/dbraw/zinc/50/61/12/407506112.db2.gz GGNCNUNQUUEHCW-INIZCTEOSA-N 1 2 315.377 1.405 40 0 DDABLO CCCn1cc(C[N@@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000257266077 407526695 /nfs/dbraw/zinc/52/66/95/407526695.db2.gz MBLQWUFVAROPNO-HNNXBMFYSA-N 1 2 317.393 1.671 40 0 DDABLO CCCn1cc(C[N@H+]2CCO[C@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000257266077 407526702 /nfs/dbraw/zinc/52/67/02/407526702.db2.gz MBLQWUFVAROPNO-HNNXBMFYSA-N 1 2 317.393 1.671 40 0 DDABLO O=C([C@@H]1CN(Cc2cccs2)Cc2c[nH+]cn21)N1CCCO1 ZINC000247895723 408514266 /nfs/dbraw/zinc/51/42/66/408514266.db2.gz ZWMZIHPLUKCDTL-AWEZNQCLSA-N 1 2 318.402 1.665 40 0 DDABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)c1 ZINC000248000724 408525533 /nfs/dbraw/zinc/52/55/33/408525533.db2.gz NRFKAVXVQRKHKC-BZUAXINKSA-N 1 2 304.390 1.373 40 0 DDABLO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)c1 ZINC000248000724 408525537 /nfs/dbraw/zinc/52/55/37/408525537.db2.gz NRFKAVXVQRKHKC-BZUAXINKSA-N 1 2 304.390 1.373 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](Cc3ccco3)C2)C1 ZINC000248062955 408532309 /nfs/dbraw/zinc/53/23/09/408532309.db2.gz ZFHGDTBSUOVZJS-CYBMUJFWSA-N 1 2 308.378 1.118 40 0 DDABLO OCCNc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328999188 410046525 /nfs/dbraw/zinc/04/65/25/410046525.db2.gz JUSFWZXIMIRKSP-UHFFFAOYSA-N 1 2 320.780 1.705 40 0 DDABLO CCNc1cc(-c2ccncc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328992469 410043375 /nfs/dbraw/zinc/04/33/75/410043375.db2.gz IVENPUCCWXLTPE-CQSZACIVSA-N 1 2 301.394 2.399 40 0 DDABLO CCNc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000329064332 410082046 /nfs/dbraw/zinc/08/20/46/410082046.db2.gz XJCOMUCYUTUMAT-UHFFFAOYSA-N 1 2 306.373 1.821 40 0 DDABLO Cn1cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1=O ZINC000130715498 196103492 /nfs/dbraw/zinc/10/34/92/196103492.db2.gz IRWKDRJRECXCQH-AWEZNQCLSA-N 1 2 312.373 1.179 40 0 DDABLO CC(=O)N1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000257307083 278040198 /nfs/dbraw/zinc/04/01/98/278040198.db2.gz SXDDJYGRZLVORP-QGZVFWFLSA-N 1 2 315.417 1.514 40 0 DDABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000257307083 278040199 /nfs/dbraw/zinc/04/01/99/278040199.db2.gz SXDDJYGRZLVORP-QGZVFWFLSA-N 1 2 315.417 1.514 40 0 DDABLO C[NH2+]CC(=O)N1CCCC[C@@H]1c1cc(=O)n2[nH]c(C)cc2n1 ZINC000257294239 290638104 /nfs/dbraw/zinc/63/81/04/290638104.db2.gz QTDSBQKLAOKBHN-GFCCVEGCSA-N 1 2 303.366 1.016 40 0 DDABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc2sncc2c1 ZINC000225173642 539266037 /nfs/dbraw/zinc/26/60/37/539266037.db2.gz AUNINCPBONHHFS-UHFFFAOYSA-N 1 2 322.459 1.915 40 0 DDABLO Cc1cnc(OC[C@@H]2Cc3c(ncn3C)C[N@@H+]2C2CCC2)nc1 ZINC000585094933 354803422 /nfs/dbraw/zinc/80/34/22/354803422.db2.gz VGEYORZLXJDOPG-AWEZNQCLSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cnc(OC[C@@H]2Cc3c(ncn3C)C[N@H+]2C2CCC2)nc1 ZINC000585094933 354803425 /nfs/dbraw/zinc/80/34/25/354803425.db2.gz VGEYORZLXJDOPG-AWEZNQCLSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cnc(OC[C@@H]2Cc3c([nH+]cn3C)CN2C2CCC2)nc1 ZINC000585094933 354803430 /nfs/dbraw/zinc/80/34/30/354803430.db2.gz VGEYORZLXJDOPG-AWEZNQCLSA-N 1 2 313.405 1.877 40 0 DDABLO OC[C@]1(Cc2ccc(F)cc2)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585276358 354820351 /nfs/dbraw/zinc/82/03/51/354820351.db2.gz NCJLQIUVGYHJGG-INIZCTEOSA-N 1 2 305.353 1.355 40 0 DDABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257304113 203027259 /nfs/dbraw/zinc/02/72/59/203027259.db2.gz SKDNTDNQRJEFGK-CYBMUJFWSA-N 1 2 309.377 1.765 40 0 DDABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257304113 203027262 /nfs/dbraw/zinc/02/72/62/203027262.db2.gz SKDNTDNQRJEFGK-CYBMUJFWSA-N 1 2 309.377 1.765 40 0 DDABLO COc1ccc([C@@H]2CN(C(=O)c3cnn(C)c3)CC[N@@H+]2C)cc1 ZINC000257279172 203007836 /nfs/dbraw/zinc/00/78/36/203007836.db2.gz OFIWJJJRXVDOLY-INIZCTEOSA-N 1 2 314.389 1.558 40 0 DDABLO COc1ccc([C@@H]2CN(C(=O)c3cnn(C)c3)CC[N@H+]2C)cc1 ZINC000257279172 203007838 /nfs/dbraw/zinc/00/78/38/203007838.db2.gz OFIWJJJRXVDOLY-INIZCTEOSA-N 1 2 314.389 1.558 40 0 DDABLO O=C(N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1cc2c(s1)CCC2 ZINC000257328057 203051009 /nfs/dbraw/zinc/05/10/09/203051009.db2.gz XDXZOXIEQIYMFL-LALPHHSUSA-N 1 2 317.414 1.928 40 0 DDABLO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)c1 ZINC000022525272 182325285 /nfs/dbraw/zinc/32/52/85/182325285.db2.gz DKLXFVSRQZOSAT-MRXNPFEDSA-N 1 2 320.433 1.828 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000096063668 296298936 /nfs/dbraw/zinc/29/89/36/296298936.db2.gz FYGGWPPTMDKCFW-TXEJJXNPSA-N 1 2 300.387 1.747 40 0 DDABLO Cn1c(=O)[nH]c(O)c(C2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000103720851 257121670 /nfs/dbraw/zinc/12/16/70/257121670.db2.gz ADGQWITULURKMK-CQSZACIVSA-N 1 2 315.373 1.223 40 0 DDABLO Cn1c(O)c(C2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000103720851 257121671 /nfs/dbraw/zinc/12/16/71/257121671.db2.gz ADGQWITULURKMK-CQSZACIVSA-N 1 2 315.373 1.223 40 0 DDABLO CCOC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000040448884 407002849 /nfs/dbraw/zinc/00/28/49/407002849.db2.gz AIKMHBGFMRDTMI-GFCCVEGCSA-N 1 2 300.399 1.881 40 0 DDABLO CCOC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000040448884 407002851 /nfs/dbraw/zinc/00/28/51/407002851.db2.gz AIKMHBGFMRDTMI-GFCCVEGCSA-N 1 2 300.399 1.881 40 0 DDABLO c1ncc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218558 407252129 /nfs/dbraw/zinc/25/21/29/407252129.db2.gz ADBODCDKPQXQIV-HOTGVXAUSA-N 1 2 300.362 1.617 40 0 DDABLO c1ncc(C[N@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218558 407252132 /nfs/dbraw/zinc/25/21/32/407252132.db2.gz ADBODCDKPQXQIV-HOTGVXAUSA-N 1 2 300.362 1.617 40 0 DDABLO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060447 407231829 /nfs/dbraw/zinc/23/18/29/407231829.db2.gz RMWQPPUFOTYLKY-OAHLLOKOSA-N 1 2 315.421 1.772 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060447 407231830 /nfs/dbraw/zinc/23/18/30/407231830.db2.gz RMWQPPUFOTYLKY-OAHLLOKOSA-N 1 2 315.421 1.772 40 0 DDABLO Cc1noc([C@@H]2Cn3nccc3C[N@H+](Cc3ccccn3)C2)n1 ZINC000096188852 407245405 /nfs/dbraw/zinc/24/54/05/407245405.db2.gz BKQYUKFGXQUTBX-ZDUSSCGKSA-N 1 2 310.361 1.769 40 0 DDABLO Cc1noc([C@@H]2Cn3nccc3C[N@@H+](Cc3ccccn3)C2)n1 ZINC000096188852 407245408 /nfs/dbraw/zinc/24/54/08/407245408.db2.gz BKQYUKFGXQUTBX-ZDUSSCGKSA-N 1 2 310.361 1.769 40 0 DDABLO CC(C)NC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257205615 407494723 /nfs/dbraw/zinc/49/47/23/407494723.db2.gz AZWPDMJURXWCNT-INIZCTEOSA-N 1 2 305.426 1.674 40 0 DDABLO CC(C)NC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257205615 407494732 /nfs/dbraw/zinc/49/47/32/407494732.db2.gz AZWPDMJURXWCNT-INIZCTEOSA-N 1 2 305.426 1.674 40 0 DDABLO Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257251432 407521710 /nfs/dbraw/zinc/52/17/10/407521710.db2.gz JQSQRPLKXFAALX-OAHLLOKOSA-N 1 2 300.366 1.118 40 0 DDABLO CNc1nccnc1[C@H]1C[N@H+](Cc2scnc2C)CCO1 ZINC000257259726 407523415 /nfs/dbraw/zinc/52/34/15/407523415.db2.gz KZRSKNZYEYKOHC-LLVKDONJSA-N 1 2 305.407 1.857 40 0 DDABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2scnc2C)CCO1 ZINC000257259726 407523421 /nfs/dbraw/zinc/52/34/21/407523421.db2.gz KZRSKNZYEYKOHC-LLVKDONJSA-N 1 2 305.407 1.857 40 0 DDABLO COCC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1OC ZINC000257257810 407523535 /nfs/dbraw/zinc/52/35/35/407523535.db2.gz KREJGUJKFYSWCJ-ZDUSSCGKSA-N 1 2 301.346 1.622 40 0 DDABLO O=C1CCCN1CC[C@@H]1CCOC12C[NH+](Cc1ccncc1)C2 ZINC000248010992 408524881 /nfs/dbraw/zinc/52/48/81/408524881.db2.gz VOZHRRUZNSAFDU-MRXNPFEDSA-N 1 2 315.417 1.685 40 0 DDABLO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@@H+]3Cc2nccs2)cn1 ZINC000248099177 408534522 /nfs/dbraw/zinc/53/45/22/408534522.db2.gz DKGGNHOCXUNVSQ-NEPJUHHUSA-N 1 2 303.391 1.256 40 0 DDABLO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2nccs2)cn1 ZINC000248099177 408534525 /nfs/dbraw/zinc/53/45/25/408534525.db2.gz DKGGNHOCXUNVSQ-NEPJUHHUSA-N 1 2 303.391 1.256 40 0 DDABLO Cn1cnc(S(=O)(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000248137966 341373828 /nfs/dbraw/zinc/37/38/28/341373828.db2.gz PFSLSBZUTNDKOE-CQSZACIVSA-N 1 2 320.418 1.098 40 0 DDABLO Cn1cnc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000248137966 341373829 /nfs/dbraw/zinc/37/38/29/341373829.db2.gz PFSLSBZUTNDKOE-CQSZACIVSA-N 1 2 320.418 1.098 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360939 191131277 /nfs/dbraw/zinc/13/12/77/191131277.db2.gz VOCFLJNEMBHYRP-LBPRGKRZSA-N 1 2 312.377 1.280 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360939 191131278 /nfs/dbraw/zinc/13/12/78/191131278.db2.gz VOCFLJNEMBHYRP-LBPRGKRZSA-N 1 2 312.377 1.280 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cocn1)[C@@H]2C ZINC000585097698 354805755 /nfs/dbraw/zinc/80/57/55/354805755.db2.gz MUALSAPQNVYHOF-LLVKDONJSA-N 1 2 304.350 1.667 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1cccnc1)C2 ZINC000585110791 354809284 /nfs/dbraw/zinc/80/92/84/354809284.db2.gz GQHMTXYYDNTABE-CQSZACIVSA-N 1 2 311.389 1.147 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000585110791 354809285 /nfs/dbraw/zinc/80/92/85/354809285.db2.gz GQHMTXYYDNTABE-CQSZACIVSA-N 1 2 311.389 1.147 40 0 DDABLO CC(=O)N1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000257307082 203031364 /nfs/dbraw/zinc/03/13/64/203031364.db2.gz SXDDJYGRZLVORP-KRWDZBQOSA-N 1 2 315.417 1.514 40 0 DDABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000257307082 203031367 /nfs/dbraw/zinc/03/13/67/203031367.db2.gz SXDDJYGRZLVORP-KRWDZBQOSA-N 1 2 315.417 1.514 40 0 DDABLO Cc1cccnc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257339751 203062538 /nfs/dbraw/zinc/06/25/38/203062538.db2.gz ZDAOOOPOAKTJNL-UMVBOHGHSA-N 1 2 300.362 1.471 40 0 DDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)cc1CO ZINC000019576585 182131069 /nfs/dbraw/zinc/13/10/69/182131069.db2.gz CYSFKQZYXCNEBL-UHFFFAOYSA-N 1 2 315.373 1.550 40 0 DDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)cc1CO ZINC000019576585 182131070 /nfs/dbraw/zinc/13/10/70/182131070.db2.gz CYSFKQZYXCNEBL-UHFFFAOYSA-N 1 2 315.373 1.550 40 0 DDABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000043286433 183350402 /nfs/dbraw/zinc/35/04/02/183350402.db2.gz SCZUBDWOZANWEZ-GOSISDBHSA-N 1 2 316.445 1.945 40 0 DDABLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1cccn1C)C2 ZINC000096255851 407257396 /nfs/dbraw/zinc/25/73/96/407257396.db2.gz IAUYBEKAPKGIEJ-UHFFFAOYSA-N 1 2 315.421 1.787 40 0 DDABLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)c1cccn1C)C2 ZINC000096255851 407257399 /nfs/dbraw/zinc/25/73/99/407257399.db2.gz IAUYBEKAPKGIEJ-UHFFFAOYSA-N 1 2 315.421 1.787 40 0 DDABLO C[N@H+]1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096182592 407243209 /nfs/dbraw/zinc/24/32/09/407243209.db2.gz MAEMKQDLWDBZFY-BMFZPTHFSA-N 1 2 303.406 1.310 40 0 DDABLO C[N@@H+]1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096182592 407243211 /nfs/dbraw/zinc/24/32/11/407243211.db2.gz MAEMKQDLWDBZFY-BMFZPTHFSA-N 1 2 303.406 1.310 40 0 DDABLO Cc1cnc(C(=O)N2CC[C@@H]3OCC[N@@H+](C(C)C)[C@H]3C2)cn1 ZINC000108524491 407387104 /nfs/dbraw/zinc/38/71/04/407387104.db2.gz BVKGKVBQQAWSRB-GJZGRUSLSA-N 1 2 304.394 1.109 40 0 DDABLO Cc1cnc(C(=O)N2CC[C@@H]3OCC[N@H+](C(C)C)[C@H]3C2)cn1 ZINC000108524491 407387105 /nfs/dbraw/zinc/38/71/05/407387105.db2.gz BVKGKVBQQAWSRB-GJZGRUSLSA-N 1 2 304.394 1.109 40 0 DDABLO Cc1cccnc1C[N@@H+]1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257210494 407497255 /nfs/dbraw/zinc/49/72/55/407497255.db2.gz BUXMAKFUNLWIJZ-GFCCVEGCSA-N 1 2 320.418 1.506 40 0 DDABLO Cc1cccnc1C[N@H+]1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257210494 407497263 /nfs/dbraw/zinc/49/72/63/407497263.db2.gz BUXMAKFUNLWIJZ-GFCCVEGCSA-N 1 2 320.418 1.506 40 0 DDABLO CC(=O)N1CCC[N@H+](Cc2ccnc([C@H]3CCCO3)n2)CC1 ZINC000257220081 407501083 /nfs/dbraw/zinc/50/10/83/407501083.db2.gz DJLGRIFMERSEGX-OAHLLOKOSA-N 1 2 304.394 1.382 40 0 DDABLO CC(=O)N1CCC[N@@H+](Cc2ccnc([C@H]3CCCO3)n2)CC1 ZINC000257220081 407501090 /nfs/dbraw/zinc/50/10/90/407501090.db2.gz DJLGRIFMERSEGX-OAHLLOKOSA-N 1 2 304.394 1.382 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257223793 407504141 /nfs/dbraw/zinc/50/41/41/407504141.db2.gz DYWVJIQHGBDSMS-NSHDSACASA-N 1 2 311.432 1.968 40 0 DDABLO CNc1cc([C@@H]2CCCN2C(=O)C(C)(C)n2cncn2)cc[nH+]1 ZINC000257229688 407506363 /nfs/dbraw/zinc/50/63/63/407506363.db2.gz FZDPBQGFXSZYLF-ZDUSSCGKSA-N 1 2 314.393 1.814 40 0 DDABLO Nc1nccnc1[C@@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000257269517 407528759 /nfs/dbraw/zinc/52/87/59/407528759.db2.gz MQIGSDWLIFUHAA-AWEZNQCLSA-N 1 2 300.362 1.511 40 0 DDABLO Nc1nccnc1[C@@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000257269517 407528767 /nfs/dbraw/zinc/52/87/67/407528767.db2.gz MQIGSDWLIFUHAA-AWEZNQCLSA-N 1 2 300.362 1.511 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000247932455 408516593 /nfs/dbraw/zinc/51/65/93/408516593.db2.gz KDRNQAUYBUTLJL-CQSZACIVSA-N 1 2 318.402 1.207 40 0 DDABLO C[NH+](C)CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2)C1=O ZINC000010325954 289186163 /nfs/dbraw/zinc/18/61/63/289186163.db2.gz PXXPXWKKVDGMKR-SFHVURJKSA-N 1 2 322.368 1.561 40 0 DDABLO CC(=O)N1C[C@@H]2CN(C(=O)C3CCCC3)CC[N@@H+]2C(C)(C)C1 ZINC000253403143 186306936 /nfs/dbraw/zinc/30/69/36/186306936.db2.gz PJIBGQSBLIEBOI-HNNXBMFYSA-N 1 2 307.438 1.330 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(C(=O)C3CCCC3)CC[N@H+]2C(C)(C)C1 ZINC000253403143 186306937 /nfs/dbraw/zinc/30/69/37/186306937.db2.gz PJIBGQSBLIEBOI-HNNXBMFYSA-N 1 2 307.438 1.330 40 0 biogenic,in-vitro DDABLO Cc1cc(-n2cc[nH+]c2)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072360670 191131387 /nfs/dbraw/zinc/13/13/87/191131387.db2.gz YGFCGSUONCNBAM-LBPRGKRZSA-N 1 2 321.406 1.110 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Nc2ccccn2)C1 ZINC000072363502 191132607 /nfs/dbraw/zinc/13/26/07/191132607.db2.gz OOGYCEWPQWTAIZ-LBPRGKRZSA-N 1 2 312.377 1.280 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Nc2ccccn2)C1 ZINC000072363502 191132609 /nfs/dbraw/zinc/13/26/09/191132609.db2.gz OOGYCEWPQWTAIZ-LBPRGKRZSA-N 1 2 312.377 1.280 40 0 DDABLO C[NH+]1CCN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000096640806 353915471 /nfs/dbraw/zinc/91/54/71/353915471.db2.gz DOEHIPJSCFHQKP-UHFFFAOYSA-N 1 2 318.402 1.202 40 0 DDABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@@H](CCOC)C1 ZINC000585095549 354803865 /nfs/dbraw/zinc/80/38/65/354803865.db2.gz WPWYOXBDWHNPOK-AWEZNQCLSA-N 1 2 314.451 1.391 40 0 DDABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@@H](CCOC)C1 ZINC000585095549 354803867 /nfs/dbraw/zinc/80/38/67/354803867.db2.gz WPWYOXBDWHNPOK-AWEZNQCLSA-N 1 2 314.451 1.391 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000585111481 354809597 /nfs/dbraw/zinc/80/95/97/354809597.db2.gz BGVFXLOLYQLHAB-HNNXBMFYSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000585111481 354809600 /nfs/dbraw/zinc/80/96/00/354809600.db2.gz BGVFXLOLYQLHAB-HNNXBMFYSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585113096 354810188 /nfs/dbraw/zinc/81/01/88/354810188.db2.gz ZROGZYJKULHPKT-ZDUSSCGKSA-N 1 2 304.419 1.946 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585113096 354810192 /nfs/dbraw/zinc/81/01/92/354810192.db2.gz ZROGZYJKULHPKT-ZDUSSCGKSA-N 1 2 304.419 1.946 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)Cc2ccnn21 ZINC000585111722 354810395 /nfs/dbraw/zinc/81/03/95/354810395.db2.gz GTPBVFINKKWMSU-ZDUSSCGKSA-N 1 2 320.343 1.854 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)Cc2ccnn21 ZINC000585111722 354810397 /nfs/dbraw/zinc/81/03/97/354810397.db2.gz GTPBVFINKKWMSU-ZDUSSCGKSA-N 1 2 320.343 1.854 40 0 DDABLO Cn1ccc(C[N@@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269107 354818622 /nfs/dbraw/zinc/81/86/22/354818622.db2.gz KCYOCPXZOLGKCS-INIZCTEOSA-N 1 2 305.353 1.575 40 0 DDABLO Cn1ccc(C[N@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269107 354818623 /nfs/dbraw/zinc/81/86/23/354818623.db2.gz KCYOCPXZOLGKCS-INIZCTEOSA-N 1 2 305.353 1.575 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585277716 354821939 /nfs/dbraw/zinc/82/19/39/354821939.db2.gz OHLDLJUSQCFAPF-MRXNPFEDSA-N 1 2 319.336 1.065 40 0 DDABLO CN1C(=O)CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000257307113 203032888 /nfs/dbraw/zinc/03/28/88/203032888.db2.gz SXHCAHZYBDDWJO-UONOGXRCSA-N 1 2 304.394 1.133 40 0 DDABLO CC(C)CNC(=O)[C@]1(C)CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257284505 203012792 /nfs/dbraw/zinc/01/27/92/203012792.db2.gz PCYBRKOQMUDJGV-QGZVFWFLSA-N 1 2 319.453 1.921 40 0 DDABLO CC(C)CNC(=O)[C@]1(C)CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257284505 203012795 /nfs/dbraw/zinc/01/27/95/203012795.db2.gz PCYBRKOQMUDJGV-QGZVFWFLSA-N 1 2 319.453 1.921 40 0 DDABLO Cc1ncccc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257289978 203015572 /nfs/dbraw/zinc/01/55/72/203015572.db2.gz QAZPEHJFEWCGTE-RBSFLKMASA-N 1 2 300.362 1.471 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@H](C1)C(=O)[C@@H]1CCC[N@@H+]21 ZINC000216525913 257132088 /nfs/dbraw/zinc/13/20/88/257132088.db2.gz ASTMRLPYJIVQKR-XQQFMLRXSA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@H](C1)C(=O)[C@@H]1CCC[N@H+]21 ZINC000216525913 257132089 /nfs/dbraw/zinc/13/20/89/257132089.db2.gz ASTMRLPYJIVQKR-XQQFMLRXSA-N 1 2 323.389 1.315 40 0 DDABLO CCC(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257271226 257233366 /nfs/dbraw/zinc/23/33/66/257233366.db2.gz MXKOAMRMWGTOFE-INIZCTEOSA-N 1 2 303.406 1.987 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060446 407232119 /nfs/dbraw/zinc/23/21/19/407232119.db2.gz RMWQPPUFOTYLKY-HNNXBMFYSA-N 1 2 315.421 1.772 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(CC3CC3)cc21 ZINC000096060446 407232121 /nfs/dbraw/zinc/23/21/21/407232121.db2.gz RMWQPPUFOTYLKY-HNNXBMFYSA-N 1 2 315.421 1.772 40 0 DDABLO CC[N@@H+]1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096100394 407236949 /nfs/dbraw/zinc/23/69/49/407236949.db2.gz PSEPQIBHIZPLOK-QWHCGFSZSA-N 1 2 322.434 1.015 40 0 DDABLO CC[N@H+]1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096100394 407236950 /nfs/dbraw/zinc/23/69/50/407236950.db2.gz PSEPQIBHIZPLOK-QWHCGFSZSA-N 1 2 322.434 1.015 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@@H]3O[C@@H](C(=O)NC(C)C)C[C@@H]32)cs1 ZINC000096183584 407244698 /nfs/dbraw/zinc/24/46/98/407244698.db2.gz QAEYTMUCTIREIW-MELADBBJSA-N 1 2 309.435 1.708 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)NC(C)C)C[C@@H]32)cs1 ZINC000096183584 407244699 /nfs/dbraw/zinc/24/46/99/407244699.db2.gz QAEYTMUCTIREIW-MELADBBJSA-N 1 2 309.435 1.708 40 0 DDABLO C[C@H]1c2ncc(Cn3cncn3)n2CC[N@@H+]1C1CCOCC1 ZINC000096201289 407249098 /nfs/dbraw/zinc/24/90/98/407249098.db2.gz MZLDPDORXRBAMB-LBPRGKRZSA-N 1 2 302.382 1.079 40 0 DDABLO C[C@H]1c2ncc(Cn3cncn3)n2CC[N@H+]1C1CCOCC1 ZINC000096201289 407249101 /nfs/dbraw/zinc/24/91/01/407249101.db2.gz MZLDPDORXRBAMB-LBPRGKRZSA-N 1 2 302.382 1.079 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)no1 ZINC000096206220 407249602 /nfs/dbraw/zinc/24/96/02/407249602.db2.gz JZLWFCDKKAFFIP-XJKSGUPXSA-N 1 2 322.409 1.378 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N(C)C)CCO3)no1 ZINC000096206220 407249604 /nfs/dbraw/zinc/24/96/04/407249604.db2.gz JZLWFCDKKAFFIP-XJKSGUPXSA-N 1 2 322.409 1.378 40 0 DDABLO C[C@@H]1[C@H](C)OCCN1c1cc(N2CCO[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000195567134 407466887 /nfs/dbraw/zinc/46/68/87/407466887.db2.gz NIBDGNTVKKRPIV-CRWXNKLISA-N 1 2 306.410 1.704 40 0 DDABLO C[C@@H]1[C@H](C)OCCN1c1cc(N2CCO[C@@H](C)[C@@H]2C)[nH+]cn1 ZINC000195567134 407466892 /nfs/dbraw/zinc/46/68/92/407466892.db2.gz NIBDGNTVKKRPIV-CRWXNKLISA-N 1 2 306.410 1.704 40 0 DDABLO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC000257201005 407491775 /nfs/dbraw/zinc/49/17/75/407491775.db2.gz AFTOBYGGAYQUMK-INIZCTEOSA-N 1 2 317.414 1.759 40 0 DDABLO C[N@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC000257201005 407491780 /nfs/dbraw/zinc/49/17/80/407491780.db2.gz AFTOBYGGAYQUMK-INIZCTEOSA-N 1 2 317.414 1.759 40 0 DDABLO Cc1cc(C(N)=O)nc([C@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257225852 407503248 /nfs/dbraw/zinc/50/32/48/407503248.db2.gz FIDQOIMADSQVSP-INIZCTEOSA-N 1 2 314.393 1.129 40 0 DDABLO CCc1nnsc1C(=O)N1CC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257237542 407510429 /nfs/dbraw/zinc/51/04/29/407510429.db2.gz HGZWXVLHCNODGC-SNVBAGLBSA-N 1 2 305.407 1.772 40 0 DDABLO c1cnc(O[C@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000247833839 408511138 /nfs/dbraw/zinc/51/11/38/408511138.db2.gz MNYXMCSYQDHIBF-HNNXBMFYSA-N 1 2 312.373 1.684 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)NC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000248008932 408524600 /nfs/dbraw/zinc/52/46/00/408524600.db2.gz DCJLEAIIJOFWNW-CYBMUJFWSA-N 1 2 316.430 1.860 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)NC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000248008932 408524608 /nfs/dbraw/zinc/52/46/08/408524608.db2.gz DCJLEAIIJOFWNW-CYBMUJFWSA-N 1 2 316.430 1.860 40 0 DDABLO OCCNc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000328984915 410038364 /nfs/dbraw/zinc/03/83/64/410038364.db2.gz HQONQVVWMFKUNE-UHFFFAOYSA-N 1 2 306.316 1.624 40 0 DDABLO CCOC[C@H]1Cn2cc[nH+]c2CN(c2cc(OC)ncn2)C1 ZINC000247888138 276464846 /nfs/dbraw/zinc/46/48/46/276464846.db2.gz LRTBMTJBVDBBAV-LBPRGKRZSA-N 1 2 303.366 1.355 40 0 DDABLO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133361 526845566 /nfs/dbraw/zinc/84/55/66/526845566.db2.gz MJNPVEWDZPALFJ-IAGOWNOFSA-N 1 2 322.405 1.422 40 0 DDABLO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133361 526845569 /nfs/dbraw/zinc/84/55/69/526845569.db2.gz MJNPVEWDZPALFJ-IAGOWNOFSA-N 1 2 322.405 1.422 40 0 DDABLO CCNc1nc(NCC[NH+]2CCOCC2)cc(C(F)(F)F)n1 ZINC000318336957 528441088 /nfs/dbraw/zinc/44/10/88/528441088.db2.gz TYNXMPNWVSSANG-UHFFFAOYSA-N 1 2 319.331 1.671 40 0 DDABLO CNC(=O)[C@H]1CN(C(=O)C(C)C)CC[N@@H+]1CCc1ccccc1 ZINC000072350901 191127645 /nfs/dbraw/zinc/12/76/45/191127645.db2.gz SNMVPZJUYODLFW-MRXNPFEDSA-N 1 2 317.433 1.144 40 0 DDABLO CNC(=O)[C@H]1CN(C(=O)C(C)C)CC[N@H+]1CCc1ccccc1 ZINC000072350901 191127647 /nfs/dbraw/zinc/12/76/47/191127647.db2.gz SNMVPZJUYODLFW-MRXNPFEDSA-N 1 2 317.433 1.144 40 0 DDABLO CS(=O)(=O)N1CCC[C@H]1CCc1cccnc1-n1cc[nH+]c1 ZINC000072364822 191132975 /nfs/dbraw/zinc/13/29/75/191132975.db2.gz JWLJHFNLKXTWIV-AWEZNQCLSA-N 1 2 320.418 1.624 40 0 DDABLO COCC1CCN(c2cc([C@H]3C[N@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387904 191146502 /nfs/dbraw/zinc/14/65/02/191146502.db2.gz DOSBFILGJORGAQ-MRXNPFEDSA-N 1 2 320.437 1.651 40 0 DDABLO COCC1CCN(c2cc([C@H]3C[N@@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387904 191146506 /nfs/dbraw/zinc/14/65/06/191146506.db2.gz DOSBFILGJORGAQ-MRXNPFEDSA-N 1 2 320.437 1.651 40 0 DDABLO Cc1cnc(OC[C@H]2Cc3c(ncn3C)C[N@@H+]2C2CCC2)nc1 ZINC000585094934 354803067 /nfs/dbraw/zinc/80/30/67/354803067.db2.gz VGEYORZLXJDOPG-CQSZACIVSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cnc(OC[C@H]2Cc3c(ncn3C)C[N@H+]2C2CCC2)nc1 ZINC000585094934 354803072 /nfs/dbraw/zinc/80/30/72/354803072.db2.gz VGEYORZLXJDOPG-CQSZACIVSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cnc(OC[C@H]2Cc3c([nH+]cn3C)CN2C2CCC2)nc1 ZINC000585094934 354803076 /nfs/dbraw/zinc/80/30/76/354803076.db2.gz VGEYORZLXJDOPG-CQSZACIVSA-N 1 2 313.405 1.877 40 0 DDABLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585275309 354819563 /nfs/dbraw/zinc/81/95/63/354819563.db2.gz AIERLNNPXQUTRV-CJNGLKHVSA-N 1 2 317.364 1.543 40 0 DDABLO CC(=O)N1CCC(Cc2nccnc2-c2c[nH+]c(C)n2C)CC1 ZINC000257200491 202938349 /nfs/dbraw/zinc/93/83/49/202938349.db2.gz ADODGJWXNLFTAF-UHFFFAOYSA-N 1 2 313.405 1.987 40 0 DDABLO Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)no1 ZINC000257297814 203023838 /nfs/dbraw/zinc/02/38/38/203023838.db2.gz RIWXGEMLQUIKFU-INIZCTEOSA-N 1 2 316.361 1.139 40 0 DDABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc(C(N)=O)c2)C1 ZINC000257292171 203018082 /nfs/dbraw/zinc/01/80/82/203018082.db2.gz QKHIYLHGJDCLHC-CYBMUJFWSA-N 1 2 305.378 1.667 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O)c1ccccn1 ZINC000257320673 203045732 /nfs/dbraw/zinc/04/57/32/203045732.db2.gz VXYLWJACBZYZAF-HZPDHXFCSA-N 1 2 315.348 1.196 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O)c1ccccn1 ZINC000257320673 203045736 /nfs/dbraw/zinc/04/57/36/203045736.db2.gz VXYLWJACBZYZAF-HZPDHXFCSA-N 1 2 315.348 1.196 40 0 DDABLO COc1cccc(C[N@@H+]2CCC[C@]2(C(N)=O)c2cnccn2)c1 ZINC000257341432 203062495 /nfs/dbraw/zinc/06/24/95/203062495.db2.gz ZKHBHANVUYMMRI-QGZVFWFLSA-N 1 2 312.373 1.462 40 0 DDABLO COc1cccc(C[N@H+]2CCC[C@]2(C(N)=O)c2cnccn2)c1 ZINC000257341432 203062497 /nfs/dbraw/zinc/06/24/97/203062497.db2.gz ZKHBHANVUYMMRI-QGZVFWFLSA-N 1 2 312.373 1.462 40 0 DDABLO Cn1cc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)cn1 ZINC000077266554 406982128 /nfs/dbraw/zinc/98/21/28/406982128.db2.gz LCFKZHQAEGZEMM-MRXNPFEDSA-N 1 2 311.389 1.547 40 0 biogenic,in-vitro DDABLO Cn1cc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)cn1 ZINC000077266554 406982132 /nfs/dbraw/zinc/98/21/32/406982132.db2.gz LCFKZHQAEGZEMM-MRXNPFEDSA-N 1 2 311.389 1.547 40 0 biogenic,in-vitro DDABLO c1cncc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@@H]2CCCO2)c1 ZINC000096054347 407229912 /nfs/dbraw/zinc/22/99/12/407229912.db2.gz UYHYXKSCTDWULR-BBWFWOEESA-N 1 2 303.406 1.146 40 0 DDABLO c1cncc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@@H]2CCCO2)c1 ZINC000096054347 407229913 /nfs/dbraw/zinc/22/99/13/407229913.db2.gz UYHYXKSCTDWULR-BBWFWOEESA-N 1 2 303.406 1.146 40 0 DDABLO O=S(=O)(C1CC1)N1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096072654 407235368 /nfs/dbraw/zinc/23/53/68/407235368.db2.gz GLGDVZQIQRDVMO-IUODEOHRSA-N 1 2 323.418 1.219 40 0 DDABLO Fc1ccccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCO1 ZINC000096081717 407235961 /nfs/dbraw/zinc/23/59/61/407235961.db2.gz BRTWWPGAMYLWBZ-JQHSSLGASA-N 1 2 320.408 1.890 40 0 DDABLO Fc1ccccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCO1 ZINC000096081717 407235963 /nfs/dbraw/zinc/23/59/63/407235963.db2.gz BRTWWPGAMYLWBZ-JQHSSLGASA-N 1 2 320.408 1.890 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccoc1 ZINC000096201259 407248847 /nfs/dbraw/zinc/24/88/47/407248847.db2.gz VYEOLTBFZPSEII-LBPRGKRZSA-N 1 2 311.345 1.938 40 0 DDABLO Cc1cnn(CC(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)c1 ZINC000257206474 407493592 /nfs/dbraw/zinc/49/35/92/407493592.db2.gz BDPLOSDRVLXZQS-CQSZACIVSA-N 1 2 301.394 1.640 40 0 DDABLO CC(=O)N1CCC[C@H]1c1cncc(C[NH+]2CCSCC2)n1 ZINC000257228487 407506930 /nfs/dbraw/zinc/50/69/30/407506930.db2.gz FUBSSNRKOFDZJR-HNNXBMFYSA-N 1 2 306.435 1.709 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)[nH+]1 ZINC000257255787 407523227 /nfs/dbraw/zinc/52/32/27/407523227.db2.gz KIVXCDGAIHSYNL-GFCCVEGCSA-N 1 2 310.361 1.630 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)[nH+]1 ZINC000257286458 407529881 /nfs/dbraw/zinc/52/98/81/407529881.db2.gz PLQRNBPJSLDURO-GFCCVEGCSA-N 1 2 317.393 1.952 40 0 DDABLO COc1ccc(-c2nnsc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000225763085 407602945 /nfs/dbraw/zinc/60/29/45/407602945.db2.gz IXXJDFYRSIZOKT-UHFFFAOYSA-N 1 2 318.402 1.601 40 0 DDABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329046622 410069190 /nfs/dbraw/zinc/06/91/90/410069190.db2.gz UCLCTCKWULCFDA-NSHDSACASA-N 1 2 314.389 1.743 40 0 DDABLO O=c1[nH]cnc2c1OCC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306128819 231086550 /nfs/dbraw/zinc/08/65/50/231086550.db2.gz HLKURSPVJCDDQP-UHFFFAOYSA-N 1 2 301.302 1.306 40 0 DDABLO O=c1[nH]cnc2c1OCC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000306128819 231086553 /nfs/dbraw/zinc/08/65/53/231086553.db2.gz HLKURSPVJCDDQP-UHFFFAOYSA-N 1 2 301.302 1.306 40 0 DDABLO CS(=O)(=O)N1CCC[C@@H]1CCc1cccnc1-n1cc[nH+]c1 ZINC000072364821 191133476 /nfs/dbraw/zinc/13/34/76/191133476.db2.gz JWLJHFNLKXTWIV-CQSZACIVSA-N 1 2 320.418 1.624 40 0 DDABLO Cc1cc(Nc2cccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)no1 ZINC000072383055 191142832 /nfs/dbraw/zinc/14/28/32/191142832.db2.gz SICJCKVERJZXQX-GFCCVEGCSA-N 1 2 301.350 1.744 40 0 DDABLO Cc1cc(Nc2cccc([C@H]3CCC[N@H+]3CC(N)=O)n2)no1 ZINC000072383055 191142834 /nfs/dbraw/zinc/14/28/34/191142834.db2.gz SICJCKVERJZXQX-GFCCVEGCSA-N 1 2 301.350 1.744 40 0 DDABLO CCOCc1nnc2n1CC[N@@H+](Cc1cc(C)on1)[C@H](C)C2 ZINC000585097574 354805359 /nfs/dbraw/zinc/80/53/59/354805359.db2.gz MCTHMNFBHAEHKX-LLVKDONJSA-N 1 2 305.382 1.558 40 0 DDABLO CCOCc1nnc2n1CC[N@H+](Cc1cc(C)on1)[C@H](C)C2 ZINC000585097574 354805363 /nfs/dbraw/zinc/80/53/63/354805363.db2.gz MCTHMNFBHAEHKX-LLVKDONJSA-N 1 2 305.382 1.558 40 0 DDABLO Cc1cnn(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257273624 203002575 /nfs/dbraw/zinc/00/25/75/203002575.db2.gz NHMBGGSOBQADSU-OAHLLOKOSA-N 1 2 313.405 1.714 40 0 DDABLO O=c1cc(CC[C@@H]2C[N@H+](Cc3ccccn3)CCO2)nc[nH]1 ZINC000257276171 203004035 /nfs/dbraw/zinc/00/40/35/203004035.db2.gz NSPSXMYCELHMPN-OAHLLOKOSA-N 1 2 300.362 1.411 40 0 DDABLO O=c1cc(CC[C@@H]2C[N@@H+](Cc3ccccn3)CCO2)nc[nH]1 ZINC000257276171 203004039 /nfs/dbraw/zinc/00/40/39/203004039.db2.gz NSPSXMYCELHMPN-OAHLLOKOSA-N 1 2 300.362 1.411 40 0 DDABLO CCc1nnsc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257299672 203023879 /nfs/dbraw/zinc/02/38/79/203023879.db2.gz RRARWUCCRLBXHU-RYUDHWBXSA-N 1 2 321.406 1.135 40 0 DDABLO Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000257300489 203024536 /nfs/dbraw/zinc/02/45/36/203024536.db2.gz RUNAQJRYOJCAGH-HNNXBMFYSA-N 1 2 320.437 1.222 40 0 DDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccn(C)n2)nc1 ZINC000257301103 203025418 /nfs/dbraw/zinc/02/54/18/203025418.db2.gz RXAFHLRKDNTGDD-KRWDZBQOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)nc1 ZINC000257301103 203025421 /nfs/dbraw/zinc/02/54/21/203025421.db2.gz RXAFHLRKDNTGDD-KRWDZBQOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257279096 203009041 /nfs/dbraw/zinc/00/90/41/203009041.db2.gz OEZYNSRUJQFRNO-INIZCTEOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2nccn2C)ccn1 ZINC000257279096 203009044 /nfs/dbraw/zinc/00/90/44/203009044.db2.gz OEZYNSRUJQFRNO-INIZCTEOSA-N 1 2 313.405 1.788 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc32)[nH+]1 ZINC000257287714 203014342 /nfs/dbraw/zinc/01/43/42/203014342.db2.gz PRFCXXNABFMZNA-ZDUSSCGKSA-N 1 2 323.356 1.932 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Nc2nccs2)C1 ZINC000257288142 203014429 /nfs/dbraw/zinc/01/44/29/203014429.db2.gz PTAHBLALQCKXJW-SNVBAGLBSA-N 1 2 318.406 1.341 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Nc2nccs2)C1 ZINC000257288142 203014432 /nfs/dbraw/zinc/01/44/32/203014432.db2.gz PTAHBLALQCKXJW-SNVBAGLBSA-N 1 2 318.406 1.341 40 0 DDABLO CN(CC(F)(F)F)C(=O)c1cc2c(nc1N)CC[N@H+](C)C2 ZINC000019700642 182137581 /nfs/dbraw/zinc/13/75/81/182137581.db2.gz IWQAXRKIPXCWKS-UHFFFAOYSA-N 1 2 302.300 1.286 40 0 DDABLO CN(CC(F)(F)F)C(=O)c1cc2c(nc1N)CC[N@@H+](C)C2 ZINC000019700642 182137582 /nfs/dbraw/zinc/13/75/82/182137582.db2.gz IWQAXRKIPXCWKS-UHFFFAOYSA-N 1 2 302.300 1.286 40 0 DDABLO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000020029307 182181273 /nfs/dbraw/zinc/18/12/73/182181273.db2.gz WDCUZOIOBDUMTA-INIZCTEOSA-N 1 2 320.433 1.620 40 0 DDABLO COc1ccc([C@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095533840 257137462 /nfs/dbraw/zinc/13/74/62/257137462.db2.gz QNIQQVJYTFZNRW-AWEZNQCLSA-N 1 2 314.349 1.115 40 0 DDABLO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000035819324 406973960 /nfs/dbraw/zinc/97/39/60/406973960.db2.gz KNRMZKPMJZFMRP-UHFFFAOYSA-N 1 2 323.824 1.321 40 0 DDABLO CC(C)CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096225441 407252871 /nfs/dbraw/zinc/25/28/71/407252871.db2.gz QIPFOWVQPSVNNK-INIZCTEOSA-N 1 2 305.378 1.773 40 0 DDABLO CC(C)CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096225441 407252872 /nfs/dbraw/zinc/25/28/72/407252872.db2.gz QIPFOWVQPSVNNK-INIZCTEOSA-N 1 2 305.378 1.773 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252857 407257522 /nfs/dbraw/zinc/25/75/22/407257522.db2.gz WYAGUELZWJKOTL-VNHYZAJKSA-N 1 2 307.394 1.405 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252857 407257524 /nfs/dbraw/zinc/25/75/24/407257524.db2.gz WYAGUELZWJKOTL-VNHYZAJKSA-N 1 2 307.394 1.405 40 0 DDABLO c1csc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@@H]2CCCO2)n1 ZINC000096054343 407229143 /nfs/dbraw/zinc/22/91/43/407229143.db2.gz KVGKOZALRGALRW-MJBXVCDLSA-N 1 2 309.435 1.207 40 0 DDABLO c1csc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@@H]2CCCO2)n1 ZINC000096054343 407229144 /nfs/dbraw/zinc/22/91/44/407229144.db2.gz KVGKOZALRGALRW-MJBXVCDLSA-N 1 2 309.435 1.207 40 0 DDABLO O=C(N1CCCC1)N1CCC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096073909 407235443 /nfs/dbraw/zinc/23/54/43/407235443.db2.gz ALABZIVCALRDNJ-HOCLYGCPSA-N 1 2 304.394 1.895 40 0 DDABLO O=C(c1ccc[nH]1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196957 407247932 /nfs/dbraw/zinc/24/79/32/407247932.db2.gz MUAKMBKWIYRNTG-UHFFFAOYSA-N 1 2 310.361 1.155 40 0 DDABLO O=C1COC2(CC[NH+](Cc3nccs3)CC2)CN1CC1CC1 ZINC000096201386 407248435 /nfs/dbraw/zinc/24/84/35/407248435.db2.gz CNGFHPJOUQWJHG-UHFFFAOYSA-N 1 2 321.446 1.747 40 0 DDABLO CCCn1ccnc1C[N@@H+]1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257245030 407517832 /nfs/dbraw/zinc/51/78/32/407517832.db2.gz INVPLQQDSYBQHF-GJZGRUSLSA-N 1 2 322.453 1.391 40 0 DDABLO CCCn1ccnc1C[N@H+]1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257245030 407517837 /nfs/dbraw/zinc/51/78/37/407517837.db2.gz INVPLQQDSYBQHF-GJZGRUSLSA-N 1 2 322.453 1.391 40 0 DDABLO CCc1nnsc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130738099 196105532 /nfs/dbraw/zinc/10/55/32/196105532.db2.gz UEMCGTRSBKJVDV-LLVKDONJSA-N 1 2 317.418 1.894 40 0 DDABLO CCOc1ccc([C@H]([NH3+])c2nc(COC)n[nH]2)cc1OCC ZINC000095534558 185379236 /nfs/dbraw/zinc/37/92/36/185379236.db2.gz KRQFNWHWIYKQHS-AWEZNQCLSA-N 1 2 306.366 1.797 40 0 DDABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072379161 191140964 /nfs/dbraw/zinc/14/09/64/191140964.db2.gz YAWHTSGXQDZXGW-CYBMUJFWSA-N 1 2 320.418 1.926 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000072382368 191143336 /nfs/dbraw/zinc/14/33/36/191143336.db2.gz MSFBJKJIDFNIDF-CYBMUJFWSA-N 1 2 314.393 1.838 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[N@H+]2CCO)n1 ZINC000072382368 191143337 /nfs/dbraw/zinc/14/33/37/191143337.db2.gz MSFBJKJIDFNIDF-CYBMUJFWSA-N 1 2 314.393 1.838 40 0 DDABLO COCC1CCN(c2cc([C@@H]3C[N@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387903 191146712 /nfs/dbraw/zinc/14/67/12/191146712.db2.gz DOSBFILGJORGAQ-INIZCTEOSA-N 1 2 320.437 1.651 40 0 DDABLO COCC1CCN(c2cc([C@@H]3C[N@@H+](C)CCO3)nc(C)n2)CC1 ZINC000072387903 191146715 /nfs/dbraw/zinc/14/67/15/191146715.db2.gz DOSBFILGJORGAQ-INIZCTEOSA-N 1 2 320.437 1.651 40 0 DDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NC2CCCC2)C1 ZINC000585096109 354803793 /nfs/dbraw/zinc/80/37/93/354803793.db2.gz RRFYXVXNPSUAFO-DFBGVHRSSA-N 1 2 316.405 1.481 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cc(C)no1)[C@H]2C ZINC000585097500 354805176 /nfs/dbraw/zinc/80/51/76/354805176.db2.gz KNUMMGKBOUXBTI-LBPRGKRZSA-N 1 2 318.377 1.976 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1ccsc1)C2 ZINC000585110918 354809424 /nfs/dbraw/zinc/80/94/24/354809424.db2.gz ZDRPCKNDDSNDKX-CYBMUJFWSA-N 1 2 316.430 1.813 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1ccsc1)C2 ZINC000585110918 354809425 /nfs/dbraw/zinc/80/94/25/354809425.db2.gz ZDRPCKNDDSNDKX-CYBMUJFWSA-N 1 2 316.430 1.813 40 0 DDABLO NC(=O)c1cnn2c1nccc2C1CCN(c2cccc[nH+]2)CC1 ZINC000585180132 354817747 /nfs/dbraw/zinc/81/77/47/354817747.db2.gz ITABCPFMQXCXQS-UHFFFAOYSA-N 1 2 322.372 1.607 40 0 DDABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278423 354822110 /nfs/dbraw/zinc/82/21/10/354822110.db2.gz DNHJVYKNSSQLNX-SJORKVTESA-N 1 2 313.401 1.725 40 0 DDABLO CC1(C)CC2(CO1)CCN(C(=O)/C=C/C[NH+]1CCOCC1)CC2 ZINC000585291743 354826296 /nfs/dbraw/zinc/82/62/96/354826296.db2.gz SQKVLXQBTPVSJZ-ONEGZZNKSA-N 1 2 322.449 1.683 40 0 DDABLO CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)C1CCCC1 ZINC000257302150 203028028 /nfs/dbraw/zinc/02/80/28/203028028.db2.gz SBSHCVBBFMNWGL-QGZVFWFLSA-N 1 2 303.406 1.671 40 0 DDABLO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc(C(N)=O)c2)C1 ZINC000257292172 203017415 /nfs/dbraw/zinc/01/74/15/203017415.db2.gz QKHIYLHGJDCLHC-ZDUSSCGKSA-N 1 2 305.378 1.667 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O)c1cscn1 ZINC000257343220 203064479 /nfs/dbraw/zinc/06/44/79/203064479.db2.gz ZRYQALPICOCGGU-TZMCWYRMSA-N 1 2 321.377 1.257 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O)c1cscn1 ZINC000257343220 203064483 /nfs/dbraw/zinc/06/44/83/203064483.db2.gz ZRYQALPICOCGGU-TZMCWYRMSA-N 1 2 321.377 1.257 40 0 DDABLO COc1ccc(C[N@@H+](Cc2ncc[nH]2)C[C@@H](C)O)cc1OC ZINC000019455997 182123464 /nfs/dbraw/zinc/12/34/64/182123464.db2.gz QBIUMJFRPRZFSH-GFCCVEGCSA-N 1 2 305.378 1.810 40 0 DDABLO COc1ccc(C[N@H+](Cc2ncc[nH]2)C[C@@H](C)O)cc1OC ZINC000019455997 182123465 /nfs/dbraw/zinc/12/34/65/182123465.db2.gz QBIUMJFRPRZFSH-GFCCVEGCSA-N 1 2 305.378 1.810 40 0 DDABLO COc1ccc(CN(Cc2[nH]cc[nH+]2)C[C@@H](C)O)cc1OC ZINC000019455997 182123466 /nfs/dbraw/zinc/12/34/66/182123466.db2.gz QBIUMJFRPRZFSH-GFCCVEGCSA-N 1 2 305.378 1.810 40 0 DDABLO CC[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Cl)c2=S)CC1 ZINC000072210798 257127587 /nfs/dbraw/zinc/12/75/87/257127587.db2.gz KAOJRADSSVIJCR-UHFFFAOYSA-N 1 2 321.855 1.350 40 0 DDABLO Cc1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)C[N@H+]2C)n1 ZINC000012530030 406846868 /nfs/dbraw/zinc/84/68/68/406846868.db2.gz BPPLJNKTFXPFTI-STQMWFEESA-N 1 2 307.398 1.755 40 0 biogenic,in-vitro DDABLO Cc1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)C[N@@H+]2C)n1 ZINC000012530030 406846869 /nfs/dbraw/zinc/84/68/69/406846869.db2.gz BPPLJNKTFXPFTI-STQMWFEESA-N 1 2 307.398 1.755 40 0 biogenic,in-vitro DDABLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)no1 ZINC000096217273 407251763 /nfs/dbraw/zinc/25/17/63/407251763.db2.gz KTLPMLUAYPBFHE-FPMFFAJLSA-N 1 2 304.350 1.506 40 0 DDABLO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)no1 ZINC000096217273 407251765 /nfs/dbraw/zinc/25/17/65/407251765.db2.gz KTLPMLUAYPBFHE-FPMFFAJLSA-N 1 2 304.350 1.506 40 0 DDABLO Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCCC4)[C@@H](C2)O3)n1 ZINC000096253809 407256763 /nfs/dbraw/zinc/25/67/63/407256763.db2.gz OQKUOLNIFWCNPX-IXDOHACOSA-N 1 2 315.417 1.602 40 0 DDABLO Cc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCCC4)[C@@H](C2)O3)n1 ZINC000096253809 407256764 /nfs/dbraw/zinc/25/67/64/407256764.db2.gz OQKUOLNIFWCNPX-IXDOHACOSA-N 1 2 315.417 1.602 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@@H]3C2)no1 ZINC000096042888 407225902 /nfs/dbraw/zinc/22/59/02/407225902.db2.gz BUELEZMUPWKKNE-AEGPPILISA-N 1 2 307.394 1.487 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@@H]3C2)no1 ZINC000096042888 407225904 /nfs/dbraw/zinc/22/59/04/407225904.db2.gz BUELEZMUPWKKNE-AEGPPILISA-N 1 2 307.394 1.487 40 0 DDABLO O=C(N1CCCC1)N1CCC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096073907 407234678 /nfs/dbraw/zinc/23/46/78/407234678.db2.gz ALABZIVCALRDNJ-GOEBONIOSA-N 1 2 304.394 1.895 40 0 DDABLO C[N@H+]1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000096182597 407243589 /nfs/dbraw/zinc/24/35/89/407243589.db2.gz WBCGQCJDEJVNMS-OAGGEKHMSA-N 1 2 319.474 1.779 40 0 DDABLO C[N@@H+]1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000096182597 407243592 /nfs/dbraw/zinc/24/35/92/407243592.db2.gz WBCGQCJDEJVNMS-OAGGEKHMSA-N 1 2 319.474 1.779 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccccn1 ZINC000096201277 407248863 /nfs/dbraw/zinc/24/88/63/407248863.db2.gz VTHPOEHQAZEIGU-ZDUSSCGKSA-N 1 2 309.377 1.495 40 0 DDABLO C[NH+](C)Cc1cnc([C@@H]2CN(Cc3ccncc3)CCO2)[nH]1 ZINC000257284097 407529509 /nfs/dbraw/zinc/52/95/09/407529509.db2.gz PBFUXYSSTOJJPQ-HNNXBMFYSA-N 1 2 301.394 1.440 40 0 DDABLO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000247915657 408517286 /nfs/dbraw/zinc/51/72/86/408517286.db2.gz BFBOTVDIKBLNPI-AWEZNQCLSA-N 1 2 300.362 1.195 40 0 DDABLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000247915657 408517291 /nfs/dbraw/zinc/51/72/91/408517291.db2.gz BFBOTVDIKBLNPI-AWEZNQCLSA-N 1 2 300.362 1.195 40 0 DDABLO Cn1nccc1C1=CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329333047 410238974 /nfs/dbraw/zinc/23/89/74/410238974.db2.gz WYIWHBDWSLRFNJ-AWEZNQCLSA-N 1 2 311.389 1.495 40 0 DDABLO COc1cc([C@H]2NC(=O)CC[NH2+]2)cc(Br)c1O ZINC000408737263 418811558 /nfs/dbraw/zinc/81/15/58/418811558.db2.gz MWMTUUQVGGQRDM-LLVKDONJSA-N 1 2 301.140 1.271 40 0 DDABLO COc1cc([C@@H]2NC(=O)CC[NH2+]2)cc(Br)c1OC ZINC000408737694 418811799 /nfs/dbraw/zinc/81/17/99/418811799.db2.gz NTBGCEBHTXXDBL-LBPRGKRZSA-N 1 2 315.167 1.574 40 0 DDABLO Cc1[nH+]c[nH]c1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257210166 279147272 /nfs/dbraw/zinc/14/72/72/279147272.db2.gz BTMVMZQZXOTFJS-HOTGVXAUSA-N 1 2 312.373 1.334 40 0 DDABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)N2CCOCC2)c2ccccn21 ZINC000306124686 530064002 /nfs/dbraw/zinc/06/40/02/530064002.db2.gz BWOJDOYMGVUYJM-AWEZNQCLSA-N 1 2 314.389 1.573 40 0 DDABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)N2CCOCC2)c2ccccn21 ZINC000306124686 530064003 /nfs/dbraw/zinc/06/40/03/530064003.db2.gz BWOJDOYMGVUYJM-AWEZNQCLSA-N 1 2 314.389 1.573 40 0 DDABLO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072360957 191131880 /nfs/dbraw/zinc/13/18/80/191131880.db2.gz QVUKSFKTLGQSPZ-LLVKDONJSA-N 1 2 318.406 1.607 40 0 DDABLO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072360957 191131882 /nfs/dbraw/zinc/13/18/82/191131882.db2.gz QVUKSFKTLGQSPZ-LLVKDONJSA-N 1 2 318.406 1.607 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072383053 191143276 /nfs/dbraw/zinc/14/32/76/191143276.db2.gz DFTWBUMQQPTDOI-LLVKDONJSA-N 1 2 303.391 1.904 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072383053 191143277 /nfs/dbraw/zinc/14/32/77/191143277.db2.gz DFTWBUMQQPTDOI-LLVKDONJSA-N 1 2 303.391 1.904 40 0 DDABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1 ZINC000028615329 352230410 /nfs/dbraw/zinc/23/04/10/352230410.db2.gz MJZMGQPVNPDMHF-UHFFFAOYSA-N 1 2 308.363 1.196 40 0 DDABLO CCOC[C@H]1CCn2nccc2C[N@@H+]1Cc1cncc(C)n1 ZINC000585098125 354805569 /nfs/dbraw/zinc/80/55/69/354805569.db2.gz UKCOBMRTGYUAGL-MRXNPFEDSA-N 1 2 301.394 1.793 40 0 DDABLO CCOC[C@H]1CCn2nccc2C[N@H+]1Cc1cncc(C)n1 ZINC000585098125 354805570 /nfs/dbraw/zinc/80/55/70/354805570.db2.gz UKCOBMRTGYUAGL-MRXNPFEDSA-N 1 2 301.394 1.793 40 0 DDABLO Cc1nc2ccccn2c1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000585171870 354816851 /nfs/dbraw/zinc/81/68/51/354816851.db2.gz JVAIDJGADAUESD-CYBMUJFWSA-N 1 2 316.405 1.022 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585275370 354819483 /nfs/dbraw/zinc/81/94/83/354819483.db2.gz AXHRCNAXXNUASL-GDBMZVCRSA-N 1 2 317.364 1.474 40 0 DDABLO CC1(C)C[C@H]2[C@H](CCCN2C(=O)/C=C/C[NH+]2CCOCC2)O1 ZINC000585290998 354825432 /nfs/dbraw/zinc/82/54/32/354825432.db2.gz KCYHIOUYCJGBCM-PGXISHIXSA-N 1 2 308.422 1.433 40 0 DDABLO CNc1cncc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257305815 203028990 /nfs/dbraw/zinc/02/89/90/203028990.db2.gz SRRBIVJNIKAZKM-CYBMUJFWSA-N 1 2 300.366 1.469 40 0 DDABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2nccn2C)nc1 ZINC000257305896 203030544 /nfs/dbraw/zinc/03/05/44/203030544.db2.gz SRZWBIJMOVZIET-MRXNPFEDSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2C)nc1 ZINC000257305896 203030548 /nfs/dbraw/zinc/03/05/48/203030548.db2.gz SRZWBIJMOVZIET-MRXNPFEDSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257289512 203016016 /nfs/dbraw/zinc/01/60/16/203016016.db2.gz PYYUIRLSPGDPAI-HNNXBMFYSA-N 1 2 314.393 1.183 40 0 DDABLO O=C(CCn1cc[nH+]c1)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257337797 203060909 /nfs/dbraw/zinc/06/09/09/203060909.db2.gz YULIUYYHGYOLJM-UHFFFAOYSA-N 1 2 324.388 1.722 40 0 DDABLO CCc1cc2c(cc1C(=O)CC[NH+]1CCOCC1)OCCO2 ZINC000019204622 182107049 /nfs/dbraw/zinc/10/70/49/182107049.db2.gz UKYHEFLMKXBBSO-UHFFFAOYSA-N 1 2 305.374 1.925 40 0 DDABLO C[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)n1cc[nH+]c1 ZINC000019462090 182124688 /nfs/dbraw/zinc/12/46/88/182124688.db2.gz MMAMSOCZVUQDOI-ZJUUUORDSA-N 1 2 300.318 1.802 40 0 DDABLO CC(C)C1(C(C)C)NC(=O)N(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000333873552 249135128 /nfs/dbraw/zinc/13/51/28/249135128.db2.gz CCXLUXOVLNFZCG-OKILXGFUSA-N 1 2 323.437 1.452 40 0 DDABLO CC(C)C1(C(C)C)NC(=O)N(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000333873552 249135132 /nfs/dbraw/zinc/13/51/32/249135132.db2.gz CCXLUXOVLNFZCG-OKILXGFUSA-N 1 2 323.437 1.452 40 0 DDABLO O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000059766013 184140942 /nfs/dbraw/zinc/14/09/42/184140942.db2.gz WNGZSWVNBYJEGQ-UHFFFAOYSA-N 1 2 315.417 1.343 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)no1 ZINC000096043141 256553854 /nfs/dbraw/zinc/55/38/54/256553854.db2.gz BUELEZMUPWKKNE-CFVMTHIKSA-N 1 2 307.394 1.487 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)no1 ZINC000096043141 256553855 /nfs/dbraw/zinc/55/38/55/256553855.db2.gz BUELEZMUPWKKNE-CFVMTHIKSA-N 1 2 307.394 1.487 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1cccnc1)CC2 ZINC000019339421 406884824 /nfs/dbraw/zinc/88/48/24/406884824.db2.gz OIKIBDBJVZSLSB-UHFFFAOYSA-N 1 2 320.356 1.180 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000019339421 406884827 /nfs/dbraw/zinc/88/48/27/406884827.db2.gz OIKIBDBJVZSLSB-UHFFFAOYSA-N 1 2 320.356 1.180 40 0 DDABLO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096081725 407235666 /nfs/dbraw/zinc/23/56/66/407235666.db2.gz VQOMNHVJSZLGJZ-SJORKVTESA-N 1 2 317.389 1.970 40 0 DDABLO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096081725 407235667 /nfs/dbraw/zinc/23/56/67/407235667.db2.gz VQOMNHVJSZLGJZ-SJORKVTESA-N 1 2 317.389 1.970 40 0 DDABLO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)cn1 ZINC000096184535 407244635 /nfs/dbraw/zinc/24/46/35/407244635.db2.gz WLCHGPMWNNXGBV-OLZOCXBDSA-N 1 2 317.418 1.366 40 0 DDABLO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2nccs2)cn1 ZINC000096184535 407244637 /nfs/dbraw/zinc/24/46/37/407244637.db2.gz WLCHGPMWNNXGBV-OLZOCXBDSA-N 1 2 317.418 1.366 40 0 DDABLO c1cnn(C[C@H]2Cn3ccnc3C[N@H+](Cc3ccccn3)C2)c1 ZINC000096188544 407245908 /nfs/dbraw/zinc/24/59/08/407245908.db2.gz YWLMCBPDCOJTDQ-OAHLLOKOSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@H]2Cn3ccnc3C[N@@H+](Cc3ccccn3)C2)c1 ZINC000096188544 407245910 /nfs/dbraw/zinc/24/59/10/407245910.db2.gz YWLMCBPDCOJTDQ-OAHLLOKOSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@H]2Cn3cc[nH+]c3CN(Cc3ccccn3)C2)c1 ZINC000096188544 407245912 /nfs/dbraw/zinc/24/59/12/407245912.db2.gz YWLMCBPDCOJTDQ-OAHLLOKOSA-N 1 2 308.389 1.807 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCO[C@@H](c2cnccn2)C1 ZINC000257208721 407496271 /nfs/dbraw/zinc/49/62/71/407496271.db2.gz BNJNBOCGZKTQQK-CQSZACIVSA-N 1 2 301.350 1.053 40 0 DDABLO O=C(CCCn1cccn1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257231821 407506554 /nfs/dbraw/zinc/50/65/54/407506554.db2.gz GIHYGNDVDGFHDN-IIAWOOMASA-N 1 2 317.393 1.131 40 0 DDABLO O=C(C1CC1)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257261326 407523605 /nfs/dbraw/zinc/52/36/05/407523605.db2.gz LGTVSBLJJMOZFL-KRWDZBQOSA-N 1 2 315.417 1.987 40 0 DDABLO O=c1cc(CC[C@H]2C[N@H+](Cc3cccnc3)CCO2)nc[nH]1 ZINC000257325724 407533065 /nfs/dbraw/zinc/53/30/65/407533065.db2.gz WUDSDCUPMFUJGC-HNNXBMFYSA-N 1 2 300.362 1.411 40 0 DDABLO O=c1cc(CC[C@H]2C[N@@H+](Cc3cccnc3)CCO2)nc[nH]1 ZINC000257325724 407533069 /nfs/dbraw/zinc/53/30/69/407533069.db2.gz WUDSDCUPMFUJGC-HNNXBMFYSA-N 1 2 300.362 1.411 40 0 DDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000248051619 408531502 /nfs/dbraw/zinc/53/15/02/408531502.db2.gz XOEDVFVTDNLWEM-BZUAXINKSA-N 1 2 304.390 1.373 40 0 DDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)cc1 ZINC000248051619 408531508 /nfs/dbraw/zinc/53/15/08/408531508.db2.gz XOEDVFVTDNLWEM-BZUAXINKSA-N 1 2 304.390 1.373 40 0 DDABLO O=C(c1ccco1)N1CCO[C@H]2[C@H]1CC[C@H]2Cn1cc[nH+]c1 ZINC000247801451 408510098 /nfs/dbraw/zinc/51/00/98/408510098.db2.gz GCQLMOKMECMKOJ-GZBFAFLISA-N 1 2 301.346 1.796 40 0 DDABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000328986259 410036593 /nfs/dbraw/zinc/03/65/93/410036593.db2.gz HWXSUGKKLLHZNS-UHFFFAOYSA-N 1 2 302.353 1.793 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccccc2)[nH+]1 ZINC000257206470 301024706 /nfs/dbraw/zinc/02/47/06/301024706.db2.gz BDPIPBPINVDJOV-ZDUSSCGKSA-N 1 2 307.375 1.480 40 0 DDABLO Cn1cc(C[N@H+]2Cc3cncn3[C@H](COCC3CC3)C2)cn1 ZINC000306130931 231086450 /nfs/dbraw/zinc/08/64/50/231086450.db2.gz JSUNQQNJYWEQRM-INIZCTEOSA-N 1 2 301.394 1.600 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3cncn3[C@H](COCC3CC3)C2)cn1 ZINC000306130931 231086453 /nfs/dbraw/zinc/08/64/53/231086453.db2.gz JSUNQQNJYWEQRM-INIZCTEOSA-N 1 2 301.394 1.600 40 0 DDABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)N2CCOCC2)c2ccccn21 ZINC000306124687 530058219 /nfs/dbraw/zinc/05/82/19/530058219.db2.gz BWOJDOYMGVUYJM-CQSZACIVSA-N 1 2 314.389 1.573 40 0 DDABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)N2CCOCC2)c2ccccn21 ZINC000306124687 530058220 /nfs/dbraw/zinc/05/82/20/530058220.db2.gz BWOJDOYMGVUYJM-CQSZACIVSA-N 1 2 314.389 1.573 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072367854 191137100 /nfs/dbraw/zinc/13/71/00/191137100.db2.gz FWZFTPFVMAWZTJ-ZDUSSCGKSA-N 1 2 312.373 1.934 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072367854 191137102 /nfs/dbraw/zinc/13/71/02/191137102.db2.gz FWZFTPFVMAWZTJ-ZDUSSCGKSA-N 1 2 312.373 1.934 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1ccc2c(c1)OCO2 ZINC000585094764 354803287 /nfs/dbraw/zinc/80/32/87/354803287.db2.gz LQIVPPKUEBHXMH-ZDUSSCGKSA-N 1 2 315.373 1.722 40 0 DDABLO O[C@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2cc[nH]n2)C1 ZINC000585269233 354818701 /nfs/dbraw/zinc/81/87/01/354818701.db2.gz MESWIMHDVXCSHW-INIZCTEOSA-N 1 2 321.352 1.191 40 0 DDABLO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585269233 354818702 /nfs/dbraw/zinc/81/87/02/354818702.db2.gz MESWIMHDVXCSHW-INIZCTEOSA-N 1 2 321.352 1.191 40 0 DDABLO Cc1cc(NC2CC3(C2)CCN(C(=O)c2cnco2)C3)nc[nH+]1 ZINC000257298001 203023667 /nfs/dbraw/zinc/02/36/67/203023667.db2.gz RJRQPDSFNAATRV-UHFFFAOYSA-N 1 2 313.361 1.880 40 0 DDABLO CNC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ncccc1C ZINC000257342320 203064821 /nfs/dbraw/zinc/06/48/21/203064821.db2.gz ZOCYQIQNCMRTLO-KRWDZBQOSA-N 1 2 311.389 1.417 40 0 DDABLO CNC(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ncccc1C ZINC000257342320 203064824 /nfs/dbraw/zinc/06/48/24/203064824.db2.gz ZOCYQIQNCMRTLO-KRWDZBQOSA-N 1 2 311.389 1.417 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1cnccn1 ZINC000096062059 193514253 /nfs/dbraw/zinc/51/42/53/193514253.db2.gz SWGCJCWIBJFHRH-LBPRGKRZSA-N 1 2 323.360 1.135 40 0 DDABLO O=C(CN(Cc1ccccc1)c1cccc[nH+]1)N1CCOCC1 ZINC000019142840 182105970 /nfs/dbraw/zinc/10/59/70/182105970.db2.gz XLZAVJPEIMKMHD-UHFFFAOYSA-N 1 2 311.385 1.947 40 0 DDABLO CNC(=O)c1cccc([C@H]2CN(c3ncccn3)CC[N@@H+]2C)c1 ZINC000072367679 406881906 /nfs/dbraw/zinc/88/19/06/406881906.db2.gz KYERCKLSXGAYHK-OAHLLOKOSA-N 1 2 311.389 1.329 40 0 DDABLO CNC(=O)c1cccc([C@H]2CN(c3ncccn3)CC[N@H+]2C)c1 ZINC000072367679 406881909 /nfs/dbraw/zinc/88/19/09/406881909.db2.gz KYERCKLSXGAYHK-OAHLLOKOSA-N 1 2 311.389 1.329 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(C[NH+](CC(=O)[O-])CCO2)C1 ZINC000096226816 407253843 /nfs/dbraw/zinc/25/38/43/407253843.db2.gz TWZMVMNGXHHDKE-MRXNPFEDSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[N@H+]1CCC[C@]2(C[NH+](CC(=O)[O-])CCO2)C1 ZINC000096226816 407253845 /nfs/dbraw/zinc/25/38/45/407253845.db2.gz TWZMVMNGXHHDKE-MRXNPFEDSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[NH+]1CCC[C@@]2(C1)C[N@H+](CC(=O)[O-])CCO2 ZINC000096226816 407253846 /nfs/dbraw/zinc/25/38/46/407253846.db2.gz TWZMVMNGXHHDKE-MRXNPFEDSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[NH+]1CCC[C@@]2(C1)C[N@@H+](CC(=O)[O-])CCO2 ZINC000096226816 407253848 /nfs/dbraw/zinc/25/38/48/407253848.db2.gz TWZMVMNGXHHDKE-MRXNPFEDSA-N 1 2 323.393 1.043 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](Cn4cccn4)CC[C@@H]32)cn1 ZINC000096250259 407255861 /nfs/dbraw/zinc/25/58/61/407255861.db2.gz GXTZYCXCSUIGCM-JYJNAYRXSA-N 1 2 301.394 1.296 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](Cn4cccn4)CC[C@@H]32)cn1 ZINC000096250259 407255862 /nfs/dbraw/zinc/25/58/62/407255862.db2.gz GXTZYCXCSUIGCM-JYJNAYRXSA-N 1 2 301.394 1.296 40 0 DDABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)N1CCC1 ZINC000096112984 407238579 /nfs/dbraw/zinc/23/85/79/407238579.db2.gz HUXLAXJASSHTLK-LSDHHAIUSA-N 1 2 301.390 1.170 40 0 biogenic,in-vitro DDABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)N1CCC1 ZINC000096112984 407238580 /nfs/dbraw/zinc/23/85/80/407238580.db2.gz HUXLAXJASSHTLK-LSDHHAIUSA-N 1 2 301.390 1.170 40 0 biogenic,in-vitro DDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccccn1 ZINC000096201276 407248926 /nfs/dbraw/zinc/24/89/26/407248926.db2.gz VTHPOEHQAZEIGU-CYBMUJFWSA-N 1 2 309.377 1.495 40 0 DDABLO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC000108530267 407387748 /nfs/dbraw/zinc/38/77/48/407387748.db2.gz JFONRJFRDGNXOE-KBPBESRZSA-N 1 2 308.378 1.150 40 0 DDABLO COCC[N@H+]1CCO[C@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC000108530267 407387749 /nfs/dbraw/zinc/38/77/49/407387749.db2.gz JFONRJFRDGNXOE-KBPBESRZSA-N 1 2 308.378 1.150 40 0 DDABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2ccn(C)n2)n1 ZINC000257222942 407504669 /nfs/dbraw/zinc/50/46/69/407504669.db2.gz DVFVVZFZMJAJRU-KRWDZBQOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)n1 ZINC000257222942 407504674 /nfs/dbraw/zinc/50/46/74/407504674.db2.gz DVFVVZFZMJAJRU-KRWDZBQOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)N1CCCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000257232270 407505842 /nfs/dbraw/zinc/50/58/42/407505842.db2.gz GKBVAPYEGYKQNR-JKSUJKDBSA-N 1 2 318.421 1.523 40 0 DDABLO CCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257243952 407515245 /nfs/dbraw/zinc/51/52/45/407515245.db2.gz IJGSAWPVFXKVQJ-IJLUTSLNSA-N 1 2 321.406 1.182 40 0 DDABLO Cc1[nH+]c([C@@H]2CCN(S(=O)(=O)N(C)C)C2)c2sccn12 ZINC000257247043 407516327 /nfs/dbraw/zinc/51/63/27/407516327.db2.gz IXDCYNKGFIAMMS-SNVBAGLBSA-N 1 2 314.436 1.300 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000257249792 407517589 /nfs/dbraw/zinc/51/75/89/407517589.db2.gz JJUICTMNBRCVTQ-HNNXBMFYSA-N 1 2 314.389 1.971 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000257249792 407517597 /nfs/dbraw/zinc/51/75/97/407517597.db2.gz JJUICTMNBRCVTQ-HNNXBMFYSA-N 1 2 314.389 1.971 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O)c1cscn1 ZINC000257333851 407533684 /nfs/dbraw/zinc/53/36/84/407533684.db2.gz YDJCBEJFPOGDEZ-TZMCWYRMSA-N 1 2 321.377 1.257 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O)c1cscn1 ZINC000257333851 407533692 /nfs/dbraw/zinc/53/36/92/407533692.db2.gz YDJCBEJFPOGDEZ-TZMCWYRMSA-N 1 2 321.377 1.257 40 0 DDABLO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000222990874 418563241 /nfs/dbraw/zinc/56/32/41/418563241.db2.gz XBTYLQHBBILXRL-QGZVFWFLSA-N 1 2 320.433 1.909 40 0 DDABLO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(C)(C)CN1CC[NH+](C)CC1 ZINC000072324695 191123664 /nfs/dbraw/zinc/12/36/64/191123664.db2.gz JYFPATKCZICVIM-IAGOWNOFSA-N 1 2 308.514 1.429 40 0 DDABLO c1cn(-c2cncc([C@@H]3CCCN(c4ncccn4)C3)n2)c[nH+]1 ZINC000072355575 191130256 /nfs/dbraw/zinc/13/02/56/191130256.db2.gz UGQDSLIZWFTABZ-CYBMUJFWSA-N 1 2 307.361 1.836 40 0 DDABLO c1cn(-c2nccnc2[C@H]2CCCN(c3ncccn3)C2)c[nH+]1 ZINC000072359249 191130875 /nfs/dbraw/zinc/13/08/75/191130875.db2.gz YDLBADVOCPHLJV-ZDUSSCGKSA-N 1 2 307.361 1.836 40 0 DDABLO Cc1ccc(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000008497476 352135930 /nfs/dbraw/zinc/13/59/30/352135930.db2.gz UHKVYBVBRSWUHG-HNNXBMFYSA-N 1 2 306.406 1.519 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000585111885 354810362 /nfs/dbraw/zinc/81/03/62/354810362.db2.gz IFQPUTMVOKPICD-HNNXBMFYSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000585111885 354810364 /nfs/dbraw/zinc/81/03/64/354810364.db2.gz IFQPUTMVOKPICD-HNNXBMFYSA-N 1 2 302.353 1.715 40 0 DDABLO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257300921 203024542 /nfs/dbraw/zinc/02/45/42/203024542.db2.gz RWFZUDWCCTVAEM-OAHLLOKOSA-N 1 2 300.362 1.768 40 0 DDABLO Cc1cccnc1C[N@H+]1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257300921 203024546 /nfs/dbraw/zinc/02/45/46/203024546.db2.gz RWFZUDWCCTVAEM-OAHLLOKOSA-N 1 2 300.362 1.768 40 0 DDABLO Cc1cccnc1C[N@@H+]1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257300920 203025860 /nfs/dbraw/zinc/02/58/60/203025860.db2.gz RWFZUDWCCTVAEM-HNNXBMFYSA-N 1 2 300.362 1.768 40 0 DDABLO Cc1cccnc1C[N@H+]1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257300920 203025862 /nfs/dbraw/zinc/02/58/62/203025862.db2.gz RWFZUDWCCTVAEM-HNNXBMFYSA-N 1 2 300.362 1.768 40 0 DDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257331683 203054611 /nfs/dbraw/zinc/05/46/11/203054611.db2.gz XTUPZQUFPVHVGN-LLVKDONJSA-N 1 2 323.356 1.584 40 0 DDABLO COCC(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257334259 203055632 /nfs/dbraw/zinc/05/56/32/203055632.db2.gz YFENXEBLBCPOHP-INIZCTEOSA-N 1 2 319.405 1.224 40 0 DDABLO O=C(CC1CCOCC1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257343704 203065963 /nfs/dbraw/zinc/06/59/63/203065963.db2.gz ZUCLGMPTOKFGJU-IIAWOOMASA-N 1 2 307.394 1.271 40 0 DDABLO COC(=O)[C@@H]1C[C@@H](Oc2cccc(OC(F)(F)F)c2)C[NH2+]1 ZINC000039954742 183024607 /nfs/dbraw/zinc/02/46/07/183024607.db2.gz BJIPAYYOKFYVGH-MNOVXSKESA-N 1 2 305.252 1.868 40 0 DDABLO C[NH+]1CCN(C(=O)Nc2c[nH]c3c(Cl)cccc3c2=O)CC1 ZINC000013565976 406862970 /nfs/dbraw/zinc/86/29/70/406862970.db2.gz NREPIRKNSGXOPL-UHFFFAOYSA-N 1 2 320.780 1.961 40 0 DDABLO COc1ccc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000014396656 406875093 /nfs/dbraw/zinc/87/50/93/406875093.db2.gz GTCTZEVAVFIJGG-CYBMUJFWSA-N 1 2 303.362 1.866 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccccn1 ZINC000096062064 407232252 /nfs/dbraw/zinc/23/22/52/407232252.db2.gz KTHSGICPKHFWGP-CYBMUJFWSA-N 1 2 322.372 1.740 40 0 DDABLO C[N@H+](CC(=O)N1CCC[C@H]1c1cnccn1)Cc1cccnc1 ZINC000257262021 407526672 /nfs/dbraw/zinc/52/66/72/407526672.db2.gz LJRPJWMCYMGIOA-INIZCTEOSA-N 1 2 311.389 1.667 40 0 DDABLO C[N@@H+](CC(=O)N1CCC[C@H]1c1cnccn1)Cc1cccnc1 ZINC000257262021 407526680 /nfs/dbraw/zinc/52/66/80/407526680.db2.gz LJRPJWMCYMGIOA-INIZCTEOSA-N 1 2 311.389 1.667 40 0 DDABLO C[C@H](c1cnccn1)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276139011 408822735 /nfs/dbraw/zinc/82/27/35/408822735.db2.gz OFZZZLFGELEIDO-OAHLLOKOSA-N 1 2 317.437 1.168 40 0 DDABLO C[C@H](c1cnccn1)[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276139011 408822736 /nfs/dbraw/zinc/82/27/36/408822736.db2.gz OFZZZLFGELEIDO-OAHLLOKOSA-N 1 2 317.437 1.168 40 0 DDABLO CCNc1nc(NCCc2ccncc2)cc(-c2cccnc2)[nH+]1 ZINC000328982461 410038261 /nfs/dbraw/zinc/03/82/61/410038261.db2.gz HALPIFGDPHODIL-UHFFFAOYSA-N 1 2 320.400 1.864 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257321946 278125031 /nfs/dbraw/zinc/12/50/31/278125031.db2.gz WDZOSXKAMNTWBC-HNNXBMFYSA-N 1 2 300.366 1.173 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257321946 278125034 /nfs/dbraw/zinc/12/50/34/278125034.db2.gz WDZOSXKAMNTWBC-HNNXBMFYSA-N 1 2 300.366 1.173 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC000072383580 191144190 /nfs/dbraw/zinc/14/41/90/191144190.db2.gz HFIDJWKTOSVYNT-GFCCVEGCSA-N 1 2 312.377 1.198 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC000072383580 191144191 /nfs/dbraw/zinc/14/41/91/191144191.db2.gz HFIDJWKTOSVYNT-GFCCVEGCSA-N 1 2 312.377 1.198 40 0 DDABLO CC1(c2n[nH]cc2S(C)(=O)=O)CCN(c2cccc[nH+]2)CC1 ZINC000072388860 191147600 /nfs/dbraw/zinc/14/76/00/191147600.db2.gz FYPWMXCUVCVWLR-UHFFFAOYSA-N 1 2 320.418 1.766 40 0 DDABLO O=S(=O)(NCC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21)C1CC1 ZINC000585112171 354810257 /nfs/dbraw/zinc/81/02/57/354810257.db2.gz KGOCKMDFYFCYCM-CQSZACIVSA-N 1 2 324.450 1.264 40 0 DDABLO O=S(=O)(NCC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21)C1CC1 ZINC000585112171 354810261 /nfs/dbraw/zinc/81/02/61/354810261.db2.gz KGOCKMDFYFCYCM-CQSZACIVSA-N 1 2 324.450 1.264 40 0 DDABLO OC[C@@]1(Cc2ccc(Cl)cc2)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000585278125 354821895 /nfs/dbraw/zinc/82/18/95/354821895.db2.gz ZVEUSGZSABVLCW-MRXNPFEDSA-N 1 2 321.808 1.869 40 0 DDABLO OC[C@@]1(Cc2ccc(Cl)cc2)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000585278125 354821897 /nfs/dbraw/zinc/82/18/97/354821897.db2.gz ZVEUSGZSABVLCW-MRXNPFEDSA-N 1 2 321.808 1.869 40 0 DDABLO CC[C@H](Oc1ccccc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000019933832 182166962 /nfs/dbraw/zinc/16/69/62/182166962.db2.gz KQLFZVYDTCOZKT-HNNXBMFYSA-N 1 2 306.406 1.601 40 0 DDABLO Cc1nnc(SCC(=O)N(C)C)n1-c1ccc([NH+](C)C)cc1 ZINC000001332980 406665623 /nfs/dbraw/zinc/66/56/23/406665623.db2.gz ZSQVYHNEKLLXCE-UHFFFAOYSA-N 1 2 319.434 1.822 40 0 DDABLO Cn1c[nH+]cc1CN1CCc2nc3sccc3c(=O)n2CC1 ZINC000019291839 406885019 /nfs/dbraw/zinc/88/50/19/406885019.db2.gz ARKWVZYCJNFFEH-UHFFFAOYSA-N 1 2 315.402 1.250 40 0 DDABLO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000045973516 407051987 /nfs/dbraw/zinc/05/19/87/407051987.db2.gz BVZHPJDIZMAKTG-GFCCVEGCSA-N 1 2 312.797 1.556 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)N1CCCC1 ZINC000096062081 407231511 /nfs/dbraw/zinc/23/15/11/407231511.db2.gz HETOFARATXTWHO-ZDUSSCGKSA-N 1 2 314.393 1.720 40 0 DDABLO CCS(=O)(=O)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096068065 407233742 /nfs/dbraw/zinc/23/37/42/407233742.db2.gz IKZPVOPRGWRBHA-UHFFFAOYSA-N 1 2 321.406 1.056 40 0 DDABLO COCCC(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202278 407249628 /nfs/dbraw/zinc/24/96/28/407249628.db2.gz QNNHZFWZQFGWDI-QGZVFWFLSA-N 1 2 319.405 1.173 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000107226367 407371235 /nfs/dbraw/zinc/37/12/35/407371235.db2.gz OTZXIKGJZVAACH-CJNGLKHVSA-N 1 2 314.393 1.056 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C[C@@H](Nc3ncccn3)CO2)C1 ZINC000107226367 407371236 /nfs/dbraw/zinc/37/12/36/407371236.db2.gz OTZXIKGJZVAACH-CJNGLKHVSA-N 1 2 314.393 1.056 40 0 DDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257333780 407534532 /nfs/dbraw/zinc/53/45/32/407534532.db2.gz YCZYXEJJXYVSCP-LBPRGKRZSA-N 1 2 301.350 1.175 40 0 DDABLO C[N@H+]1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 ZINC000248164513 408541070 /nfs/dbraw/zinc/54/10/70/408541070.db2.gz ZBMJABHDUBUMLK-CYBMUJFWSA-N 1 2 304.419 1.680 40 0 DDABLO C[N@@H+]1Cc2ccnn2[C@H](CC(=O)NCCc2cccs2)C1 ZINC000248164513 408541072 /nfs/dbraw/zinc/54/10/72/408541072.db2.gz ZBMJABHDUBUMLK-CYBMUJFWSA-N 1 2 304.419 1.680 40 0 DDABLO CCNc1cc(-c2ccncc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328992468 410043751 /nfs/dbraw/zinc/04/37/51/410043751.db2.gz IVENPUCCWXLTPE-AWEZNQCLSA-N 1 2 301.394 2.399 40 0 DDABLO CNc1nc(NCCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329065359 410082127 /nfs/dbraw/zinc/08/21/27/410082127.db2.gz XQNXVGOXSMFFGX-UHFFFAOYSA-N 1 2 306.373 1.474 40 0 DDABLO Cc1cc(Cl)cnc1NC(=S)NCC[NH+]1CCOCC1 ZINC000223892368 418564474 /nfs/dbraw/zinc/56/44/74/418564474.db2.gz IHHVVXHGOHSQOP-UHFFFAOYSA-N 1 2 314.842 1.662 40 0 DDABLO COC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1cnc(C)cn1 ZINC000585097024 354804717 /nfs/dbraw/zinc/80/47/17/354804717.db2.gz GQKRKKKAHBRUJX-LBPRGKRZSA-N 1 2 301.350 1.043 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257242607 202975302 /nfs/dbraw/zinc/97/53/02/202975302.db2.gz IDHMULPIJFIKHC-NSHDSACASA-N 1 2 307.785 1.974 40 0 DDABLO O=C1CC[C@]2(CCC[N@H+](Cc3csnn3)C2)N1CC1CC1 ZINC000096071196 296331555 /nfs/dbraw/zinc/33/15/55/296331555.db2.gz JWPSZTQVIMSVMT-HNNXBMFYSA-N 1 2 306.435 1.905 40 0 DDABLO O=C1CC[C@]2(CCC[N@@H+](Cc3csnn3)C2)N1CC1CC1 ZINC000096071196 296331557 /nfs/dbraw/zinc/33/15/57/296331557.db2.gz JWPSZTQVIMSVMT-HNNXBMFYSA-N 1 2 306.435 1.905 40 0 DDABLO Cc1cccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1C ZINC000054531495 407186344 /nfs/dbraw/zinc/18/63/44/407186344.db2.gz UYPJIPJENAQETH-UHFFFAOYSA-N 1 2 317.433 1.284 40 0 DDABLO c1cncc(C[N@@H+]2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC000096038542 407224552 /nfs/dbraw/zinc/22/45/52/407224552.db2.gz BUOJGHNQYKRRBN-JKSUJKDBSA-N 1 2 311.389 1.209 40 0 DDABLO c1cncc(C[N@H+]2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC000096038542 407224553 /nfs/dbraw/zinc/22/45/53/407224553.db2.gz BUOJGHNQYKRRBN-JKSUJKDBSA-N 1 2 311.389 1.209 40 0 DDABLO CN(C)C(=O)N1CCn2cc(C[N@H+](C)Cc3ccco3)nc2C1 ZINC000096059539 407232256 /nfs/dbraw/zinc/23/22/56/407232256.db2.gz LXBLTCPMNRYIDP-UHFFFAOYSA-N 1 2 317.393 1.605 40 0 DDABLO CN(C)C(=O)N1CCn2cc(C[N@@H+](C)Cc3ccco3)nc2C1 ZINC000096059539 407232257 /nfs/dbraw/zinc/23/22/57/407232257.db2.gz LXBLTCPMNRYIDP-UHFFFAOYSA-N 1 2 317.393 1.605 40 0 DDABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188557 407245443 /nfs/dbraw/zinc/24/54/43/407245443.db2.gz HNHQLNBTHWIHRP-ZDUSSCGKSA-N 1 2 311.345 1.645 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3)[C@@H]2C1 ZINC000107249481 407371338 /nfs/dbraw/zinc/37/13/38/407371338.db2.gz GECVUQLMQLFSDU-SWLSCSKDSA-N 1 2 315.398 1.805 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(O)cc3)[C@@H]2C1 ZINC000107249481 407371340 /nfs/dbraw/zinc/37/13/40/407371340.db2.gz GECVUQLMQLFSDU-SWLSCSKDSA-N 1 2 315.398 1.805 40 0 DDABLO CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257208347 407493637 /nfs/dbraw/zinc/49/36/37/407493637.db2.gz BLTVSUOJLQUBGI-MRXNPFEDSA-N 1 2 314.393 1.379 40 0 DDABLO COc1cc(CCC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257218225 407499683 /nfs/dbraw/zinc/49/96/83/407499683.db2.gz DCIHQNGUKMEVEQ-GFCCVEGCSA-N 1 2 320.349 1.247 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2cnccn2)CC[N@@H+]1C ZINC000257341351 407532939 /nfs/dbraw/zinc/53/29/39/407532939.db2.gz ZJYZUQJWFCAHHP-OAHLLOKOSA-N 1 2 312.373 1.614 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2cnccn2)CC[N@H+]1C ZINC000257341351 407532943 /nfs/dbraw/zinc/53/29/43/407532943.db2.gz ZJYZUQJWFCAHHP-OAHLLOKOSA-N 1 2 312.373 1.614 40 0 DDABLO OCCNc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000329069729 410085281 /nfs/dbraw/zinc/08/52/81/410085281.db2.gz ZAKKCFRTMOJMNE-UHFFFAOYSA-N 1 2 314.345 1.074 40 0 DDABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188555 280217101 /nfs/dbraw/zinc/21/71/01/280217101.db2.gz ITJZNQRBBPNPOM-CYBMUJFWSA-N 1 2 311.345 1.645 40 0 DDABLO Cc1cc(C[N@@H+]2Cc3ccnn3[C@@H](C(=O)NC(C)C)C2)n(C)n1 ZINC000306141904 231091284 /nfs/dbraw/zinc/09/12/84/231091284.db2.gz WJRVGMIKFOSREK-OAHLLOKOSA-N 1 2 316.409 1.007 40 0 DDABLO Cc1cc(C[N@H+]2Cc3ccnn3[C@@H](C(=O)NC(C)C)C2)n(C)n1 ZINC000306141904 231091288 /nfs/dbraw/zinc/09/12/88/231091288.db2.gz WJRVGMIKFOSREK-OAHLLOKOSA-N 1 2 316.409 1.007 40 0 DDABLO Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)cc(-n2cc[nH+]c2)n1 ZINC000072360665 191131559 /nfs/dbraw/zinc/13/15/59/191131559.db2.gz ATZLCPLYKWTETB-LBPRGKRZSA-N 1 2 321.406 1.110 40 0 DDABLO COCCC(=O)N1CCC(C(=O)c2cc(C)c[nH+]c2N)CC1 ZINC000072373414 191139779 /nfs/dbraw/zinc/13/97/79/191139779.db2.gz FPYFDIQPIDAXAZ-UHFFFAOYSA-N 1 2 305.378 1.430 40 0 DDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NC2CCC2)C1 ZINC000585095965 354803921 /nfs/dbraw/zinc/80/39/21/354803921.db2.gz HRIUPCFCIRGYNE-DDTOSNHZSA-N 1 2 302.378 1.091 40 0 DDABLO COc1cc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)cc(OC)c1 ZINC000585097478 354805121 /nfs/dbraw/zinc/80/51/21/354805121.db2.gz MENJMENHEDHTGJ-OAHLLOKOSA-N 1 2 317.389 1.667 40 0 DDABLO COc1cc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)cc(OC)c1 ZINC000585097478 354805124 /nfs/dbraw/zinc/80/51/24/354805124.db2.gz MENJMENHEDHTGJ-OAHLLOKOSA-N 1 2 317.389 1.667 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccccc3Br)C[C@@H]2N1 ZINC000257328973 203052262 /nfs/dbraw/zinc/05/22/62/203052262.db2.gz XHVJDWQEBVJPEW-RYUDHWBXSA-N 1 2 311.179 1.148 40 0 DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@@H]2N1 ZINC000257328973 203052266 /nfs/dbraw/zinc/05/22/66/203052266.db2.gz XHVJDWQEBVJPEW-RYUDHWBXSA-N 1 2 311.179 1.148 40 0 DDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Cl)c2=O)CC1 ZINC000072210802 257127023 /nfs/dbraw/zinc/12/70/23/257127023.db2.gz XASRYKYSZSWNOE-UHFFFAOYSA-N 1 2 319.814 1.155 40 0 DDABLO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4cnc[nH]4)C[C@H]23)cn1 ZINC000096219465 407251728 /nfs/dbraw/zinc/25/17/28/407251728.db2.gz BQXJBHZXMGMTCW-KBRIMQKVSA-N 1 2 314.389 1.639 40 0 DDABLO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4cnc[nH]4)C[C@H]23)cn1 ZINC000096219465 407251730 /nfs/dbraw/zinc/25/17/30/407251730.db2.gz BQXJBHZXMGMTCW-KBRIMQKVSA-N 1 2 314.389 1.639 40 0 DDABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096062039 407231345 /nfs/dbraw/zinc/23/13/45/407231345.db2.gz PDDUZPWQIPFSOF-ZDUSSCGKSA-N 1 2 311.393 1.438 40 0 DDABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096062039 407231346 /nfs/dbraw/zinc/23/13/46/407231346.db2.gz PDDUZPWQIPFSOF-ZDUSSCGKSA-N 1 2 311.393 1.438 40 0 DDABLO O=C(NCc1cnc2n1CC[N@@H+](Cc1cccnc1)C2)C1CC1 ZINC000096061928 407231862 /nfs/dbraw/zinc/23/18/62/407231862.db2.gz DEYRDCVJJYMVKC-UHFFFAOYSA-N 1 2 311.389 1.320 40 0 DDABLO O=C(NCc1cnc2n1CC[N@H+](Cc1cccnc1)C2)C1CC1 ZINC000096061928 407231863 /nfs/dbraw/zinc/23/18/63/407231863.db2.gz DEYRDCVJJYMVKC-UHFFFAOYSA-N 1 2 311.389 1.320 40 0 DDABLO Cc1csc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)CC[C@H]32)n1 ZINC000107207082 407371325 /nfs/dbraw/zinc/37/13/25/407371325.db2.gz ACSDUXBRGADAKR-UPJWGTAASA-N 1 2 309.435 1.662 40 0 DDABLO Cc1csc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)CC[C@H]32)n1 ZINC000107207082 407371327 /nfs/dbraw/zinc/37/13/27/407371327.db2.gz ACSDUXBRGADAKR-UPJWGTAASA-N 1 2 309.435 1.662 40 0 DDABLO COc1cc(CCC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257218226 407499442 /nfs/dbraw/zinc/49/94/42/407499442.db2.gz DCIHQNGUKMEVEQ-LBPRGKRZSA-N 1 2 320.349 1.247 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cccnc2)[nH+]1 ZINC000257227919 407507876 /nfs/dbraw/zinc/50/78/76/407507876.db2.gz FROIDLOFMHKJQD-AWEZNQCLSA-N 1 2 300.362 1.646 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)[nH+]1 ZINC000257250035 407518179 /nfs/dbraw/zinc/51/81/79/407518179.db2.gz JKSOBCFTHHRWIH-ZDUSSCGKSA-N 1 2 302.378 1.892 40 0 DDABLO C[N@H+](CC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1 ZINC000257262022 407525153 /nfs/dbraw/zinc/52/51/53/407525153.db2.gz LJRPJWMCYMGIOA-MRXNPFEDSA-N 1 2 311.389 1.667 40 0 DDABLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cnccn1)Cc1cccnc1 ZINC000257262022 407525158 /nfs/dbraw/zinc/52/51/58/407525158.db2.gz LJRPJWMCYMGIOA-MRXNPFEDSA-N 1 2 311.389 1.667 40 0 DDABLO COCCNC(=O)[C@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000247915777 408516696 /nfs/dbraw/zinc/51/66/96/408516696.db2.gz ZIFJKNYKAXVPEC-CQSZACIVSA-N 1 2 320.418 1.264 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)cn1 ZINC000072336797 191126081 /nfs/dbraw/zinc/12/60/81/191126081.db2.gz MFAWWFRATNFVMS-UHFFFAOYSA-N 1 2 322.372 1.124 40 0 DDABLO Cn1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccccn4)nc3C2)cn1 ZINC000072336797 191126083 /nfs/dbraw/zinc/12/60/83/191126083.db2.gz MFAWWFRATNFVMS-UHFFFAOYSA-N 1 2 322.372 1.124 40 0 DDABLO Cc1cc(-n2cc[nH+]c2)nc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072360674 191131890 /nfs/dbraw/zinc/13/18/90/191131890.db2.gz FMCYFUZYZCJNIY-LLVKDONJSA-N 1 2 307.379 1.067 40 0 DDABLO Cc1cc(N2CCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)nc[nH+]1 ZINC000072388591 191146787 /nfs/dbraw/zinc/14/67/87/191146787.db2.gz OGARFFXQFOEYJC-GFCCVEGCSA-N 1 2 300.366 1.551 40 0 DDABLO CCCc1ncc(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746953 352169876 /nfs/dbraw/zinc/16/98/76/352169876.db2.gz UTSBHJJNYJYWGO-INIZCTEOSA-N 1 2 306.410 1.108 40 0 DDABLO CCCc1ncc(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746953 352169881 /nfs/dbraw/zinc/16/98/81/352169881.db2.gz UTSBHJJNYJYWGO-INIZCTEOSA-N 1 2 306.410 1.108 40 0 DDABLO Cn1cc(C[N@H+]2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1 ZINC000585112693 354810007 /nfs/dbraw/zinc/81/00/07/354810007.db2.gz TVEDBYOAZUMLHW-INIZCTEOSA-N 1 2 324.388 1.475 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1 ZINC000585112693 354810010 /nfs/dbraw/zinc/81/00/10/354810010.db2.gz TVEDBYOAZUMLHW-INIZCTEOSA-N 1 2 324.388 1.475 40 0 DDABLO Cc1ccccc1C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000585280084 354823122 /nfs/dbraw/zinc/82/31/22/354823122.db2.gz YAOOSHGVGQYRGU-WBVHZDCISA-N 1 2 313.401 1.713 40 0 DDABLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC000585290441 354825071 /nfs/dbraw/zinc/82/50/71/354825071.db2.gz CZIWSGZVGQXVLV-CGTJXYLNSA-N 1 2 313.401 1.838 40 0 DDABLO Cc1[nH]ncc1C[N@H+]1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC000585290441 354825075 /nfs/dbraw/zinc/82/50/75/354825075.db2.gz CZIWSGZVGQXVLV-CGTJXYLNSA-N 1 2 313.401 1.838 40 0 DDABLO CCc1ccc(NC(=O)C[NH+]2CCC(NC(C)=O)CC2)cc1 ZINC000004908616 181171339 /nfs/dbraw/zinc/17/13/39/181171339.db2.gz GTUITTXWEHCEEW-UHFFFAOYSA-N 1 2 303.406 1.788 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CN2CCCCCC2=O)[nH+]1 ZINC000257307033 203032635 /nfs/dbraw/zinc/03/26/35/203032635.db2.gz SWYSUMRJMFZKGG-CYBMUJFWSA-N 1 2 304.394 1.784 40 0 DDABLO Cc1nc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cc[nH+]1 ZINC000257316944 203040082 /nfs/dbraw/zinc/04/00/82/203040082.db2.gz VHRGHSSDSPYCAY-HZPDHXFCSA-N 1 2 324.384 1.401 40 0 DDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1cccn1C ZINC000257341368 203062006 /nfs/dbraw/zinc/06/20/06/203062006.db2.gz ZKAOXENIYGTTDC-KRWDZBQOSA-N 1 2 314.389 1.134 40 0 DDABLO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)nc1 ZINC000072383079 292162449 /nfs/dbraw/zinc/16/24/49/292162449.db2.gz CBLAKVZRAURHCJ-CYBMUJFWSA-N 1 2 312.377 1.546 40 0 DDABLO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+]3CC(N)=O)n2)nc1 ZINC000072383079 292162452 /nfs/dbraw/zinc/16/24/52/292162452.db2.gz CBLAKVZRAURHCJ-CYBMUJFWSA-N 1 2 312.377 1.546 40 0 DDABLO NNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)[nH+]1 ZINC000000292079 406637371 /nfs/dbraw/zinc/63/73/71/406637371.db2.gz HITMLGYDUGHGTJ-UHFFFAOYSA-N 1 2 321.772 1.391 40 0 DDABLO O=S1(=O)CC[C@H]([N@H+](CCO)Cc2cccc(Cl)c2)C1 ZINC000069776315 406771274 /nfs/dbraw/zinc/77/12/74/406771274.db2.gz QNTLPLAEEAESLB-ZDUSSCGKSA-N 1 2 303.811 1.321 40 0 DDABLO O=S1(=O)CC[C@H]([N@@H+](CCO)Cc2cccc(Cl)c2)C1 ZINC000069776315 406771280 /nfs/dbraw/zinc/77/12/80/406771280.db2.gz QNTLPLAEEAESLB-ZDUSSCGKSA-N 1 2 303.811 1.321 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072367835 406881763 /nfs/dbraw/zinc/88/17/63/406881763.db2.gz YMCQTFQOGJYVAK-JTQLQIEISA-N 1 2 318.406 1.341 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072367835 406881766 /nfs/dbraw/zinc/88/17/66/406881766.db2.gz YMCQTFQOGJYVAK-JTQLQIEISA-N 1 2 318.406 1.341 40 0 DDABLO Cn1nnc2c1[C@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096060719 407231725 /nfs/dbraw/zinc/23/17/25/407231725.db2.gz JRJSZPLOPCUBKZ-HNNXBMFYSA-N 1 2 313.405 1.736 40 0 DDABLO Cn1nnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060719 407231726 /nfs/dbraw/zinc/23/17/26/407231726.db2.gz JRJSZPLOPCUBKZ-HNNXBMFYSA-N 1 2 313.405 1.736 40 0 DDABLO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)cn1 ZINC000096186481 407245417 /nfs/dbraw/zinc/24/54/17/407245417.db2.gz OCHJFYGZCFQMIK-CHWSQXEVSA-N 1 2 317.418 1.647 40 0 DDABLO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)cn1 ZINC000096186481 407245420 /nfs/dbraw/zinc/24/54/20/407245420.db2.gz OCHJFYGZCFQMIK-CHWSQXEVSA-N 1 2 317.418 1.647 40 0 DDABLO COCC[N@@H+]1CCc2cc(C(=O)[O-])c(NC(C)C)[nH+]c2CC1 ZINC000096189574 407247052 /nfs/dbraw/zinc/24/70/52/407247052.db2.gz RBYKAWWOHLVIDN-UHFFFAOYSA-N 1 2 307.394 1.647 40 0 DDABLO COCC[N@H+]1CCc2cc(C(=O)[O-])c(NC(C)C)[nH+]c2CC1 ZINC000096189574 407247055 /nfs/dbraw/zinc/24/70/55/407247055.db2.gz RBYKAWWOHLVIDN-UHFFFAOYSA-N 1 2 307.394 1.647 40 0 DDABLO CC(=O)N1CCC[C@@H]1c1cncc(C[NH+]2CCSCC2)n1 ZINC000257228488 407507354 /nfs/dbraw/zinc/50/73/54/407507354.db2.gz FUBSSNRKOFDZJR-OAHLLOKOSA-N 1 2 306.435 1.709 40 0 DDABLO CNc1cc(C)nc([C@H]2COCCN2Cc2[nH+]ccn2C)n1 ZINC000257259257 407522989 /nfs/dbraw/zinc/52/29/89/407522989.db2.gz KXNKEGWDOHXGJD-GFCCVEGCSA-N 1 2 302.382 1.134 40 0 DDABLO CCCCc1nc(C[N@@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)c[nH]1 ZINC000257271327 407530775 /nfs/dbraw/zinc/53/07/75/407530775.db2.gz MXVRTNGMBHGXJU-GJZGRUSLSA-N 1 2 308.426 1.214 40 0 DDABLO CCCCc1nc(C[N@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)c[nH]1 ZINC000257271327 407530783 /nfs/dbraw/zinc/53/07/83/407530783.db2.gz MXVRTNGMBHGXJU-GJZGRUSLSA-N 1 2 308.426 1.214 40 0 DDABLO CCCCc1ncc(C[N@@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)[nH]1 ZINC000257271327 407530788 /nfs/dbraw/zinc/53/07/88/407530788.db2.gz MXVRTNGMBHGXJU-GJZGRUSLSA-N 1 2 308.426 1.214 40 0 DDABLO CCCCc1ncc(C[N@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)[nH]1 ZINC000257271327 407530792 /nfs/dbraw/zinc/53/07/92/407530792.db2.gz MXVRTNGMBHGXJU-GJZGRUSLSA-N 1 2 308.426 1.214 40 0 DDABLO C[C@@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000329032822 410063159 /nfs/dbraw/zinc/06/31/59/410063159.db2.gz QQBKZHHAKZLCTE-ZDUSSCGKSA-N 1 2 324.384 1.985 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1cccc(F)c1 ZINC000585094744 354802867 /nfs/dbraw/zinc/80/28/67/354802867.db2.gz KEWDSBAKTMAHOM-CQSZACIVSA-N 1 2 317.364 1.702 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccccc1F ZINC000585094912 354803108 /nfs/dbraw/zinc/80/31/08/354803108.db2.gz UANBQAWZTDYJRM-ZDUSSCGKSA-N 1 2 317.364 1.702 40 0 DDABLO OC[C@@H]1CCn2cncc2C[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000585097678 354805883 /nfs/dbraw/zinc/80/58/83/354805883.db2.gz PILYRBFPDBEIOL-ZDUSSCGKSA-N 1 2 301.346 1.379 40 0 DDABLO OC[C@@H]1CCn2cncc2C[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000585097678 354805887 /nfs/dbraw/zinc/80/58/87/354805887.db2.gz PILYRBFPDBEIOL-ZDUSSCGKSA-N 1 2 301.346 1.379 40 0 DDABLO CNC(=O)C1=NO[C@@]2(C1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101176 354806581 /nfs/dbraw/zinc/80/65/81/354806581.db2.gz LKIXSIBINWDPOD-MRXNPFEDSA-N 1 2 319.409 1.321 40 0 DDABLO CNC(=O)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101176 354806585 /nfs/dbraw/zinc/80/65/85/354806585.db2.gz LKIXSIBINWDPOD-MRXNPFEDSA-N 1 2 319.409 1.321 40 0 DDABLO Cc1cnn(CC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257273623 203002721 /nfs/dbraw/zinc/00/27/21/203002721.db2.gz NHMBGGSOBQADSU-HNNXBMFYSA-N 1 2 313.405 1.714 40 0 DDABLO O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257297738 203023945 /nfs/dbraw/zinc/02/39/45/203023945.db2.gz RIQNJIRNHMLFKH-ZDUSSCGKSA-N 1 2 319.796 1.717 40 0 DDABLO CNc1cc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)cc[nH+]1 ZINC000257281366 203009754 /nfs/dbraw/zinc/00/97/54/203009754.db2.gz OOVTWHBUXMIJSW-OAHLLOKOSA-N 1 2 318.421 1.162 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O)c1cscn1 ZINC000257285729 203012339 /nfs/dbraw/zinc/01/23/39/203012339.db2.gz PINRINVMQQSZFW-TZMCWYRMSA-N 1 2 321.377 1.257 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O)c1cscn1 ZINC000257285729 203012342 /nfs/dbraw/zinc/01/23/42/203012342.db2.gz PINRINVMQQSZFW-TZMCWYRMSA-N 1 2 321.377 1.257 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)[nH+]1 ZINC000257318170 203041978 /nfs/dbraw/zinc/04/19/78/203041978.db2.gz VMTMVTWJHIVNNO-CYBMUJFWSA-N 1 2 304.394 1.057 40 0 DDABLO O=C(NC1CC1)N1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219102 193587322 /nfs/dbraw/zinc/58/73/22/193587322.db2.gz KXSBFXDTVSURNO-CJNGLKHVSA-N 1 2 302.378 1.599 40 0 DDABLO CC(C)(C)OC(=O)N1CCN(c2ccc(CCO)c[nH+]2)CC1 ZINC000072225580 257123769 /nfs/dbraw/zinc/12/37/69/257123769.db2.gz KLFCYLDCFAIFDZ-UHFFFAOYSA-N 1 2 307.394 1.674 40 0 DDABLO OCCOCc1ncn2c1C[N@H+](Cc1ccccn1)CCC2 ZINC000096259962 407257782 /nfs/dbraw/zinc/25/77/82/407257782.db2.gz ODSJCVWQYSJIEJ-UHFFFAOYSA-N 1 2 302.378 1.193 40 0 DDABLO OCCOCc1ncn2c1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096259962 407257784 /nfs/dbraw/zinc/25/77/84/407257784.db2.gz ODSJCVWQYSJIEJ-UHFFFAOYSA-N 1 2 302.378 1.193 40 0 DDABLO COC[C@H]1CN(C(=O)Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096044763 407226476 /nfs/dbraw/zinc/22/64/76/407226476.db2.gz DLRDBNWCPSSSRU-GFCCVEGCSA-N 1 2 300.362 1.130 40 0 DDABLO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058232 407231162 /nfs/dbraw/zinc/23/11/62/407231162.db2.gz CHPQFNMNMFZTQV-RWMBFGLXSA-N 1 2 309.435 1.647 40 0 DDABLO CC(C)NC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058232 407231164 /nfs/dbraw/zinc/23/11/64/407231164.db2.gz CHPQFNMNMFZTQV-RWMBFGLXSA-N 1 2 309.435 1.647 40 0 DDABLO Cc1ccc(C[N@@H+]2CCCn3cnc(COCCO)c3C2)o1 ZINC000096059007 407232126 /nfs/dbraw/zinc/23/21/26/407232126.db2.gz CNEJCMFXVQQKMS-UHFFFAOYSA-N 1 2 305.378 1.699 40 0 DDABLO Cc1ccc(C[N@H+]2CCCn3cnc(COCCO)c3C2)o1 ZINC000096059007 407232128 /nfs/dbraw/zinc/23/21/28/407232128.db2.gz CNEJCMFXVQQKMS-UHFFFAOYSA-N 1 2 305.378 1.699 40 0 DDABLO Cn1ccnc1CN1CCO[C@@H]2[C@@H](Cn3cc[nH+]c3)CC[C@@H]21 ZINC000096082622 407236195 /nfs/dbraw/zinc/23/61/95/407236195.db2.gz LTZMMCAFHJEVIP-IJEWVQPXSA-N 1 2 301.394 1.296 40 0 DDABLO O=C(c1cscn1)N1CCC2(CN(c3cccc[nH+]3)C2)C1 ZINC000096202716 407249388 /nfs/dbraw/zinc/24/93/88/407249388.db2.gz CYFRZXAYUCWBCG-UHFFFAOYSA-N 1 2 300.387 1.891 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2C[N@@H+](Cc3ccc(O)cc3)[C@@H]2C1 ZINC000107249476 407371146 /nfs/dbraw/zinc/37/11/46/407371146.db2.gz GECVUQLMQLFSDU-IUODEOHRSA-N 1 2 315.398 1.805 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3)[C@@H]2C1 ZINC000107249476 407371148 /nfs/dbraw/zinc/37/11/48/407371148.db2.gz GECVUQLMQLFSDU-IUODEOHRSA-N 1 2 315.398 1.805 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000107251952 407371880 /nfs/dbraw/zinc/37/18/80/407371880.db2.gz JNXUXXHGNKASSU-UONOGXRCSA-N 1 2 317.418 1.565 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000107251952 407371881 /nfs/dbraw/zinc/37/18/81/407371881.db2.gz JNXUXXHGNKASSU-UONOGXRCSA-N 1 2 317.418 1.565 40 0 DDABLO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000108535051 407387777 /nfs/dbraw/zinc/38/77/77/407387777.db2.gz ARDRXDCEIIYMHC-GJZGRUSLSA-N 1 2 309.797 1.557 40 0 DDABLO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000108535051 407387778 /nfs/dbraw/zinc/38/77/78/407387778.db2.gz ARDRXDCEIIYMHC-GJZGRUSLSA-N 1 2 309.797 1.557 40 0 DDABLO CCCn1cc(C[N@@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000257266078 407526209 /nfs/dbraw/zinc/52/62/09/407526209.db2.gz MBLQWUFVAROPNO-OAHLLOKOSA-N 1 2 317.393 1.671 40 0 DDABLO CCCn1cc(C[N@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000257266078 407526217 /nfs/dbraw/zinc/52/62/17/407526217.db2.gz MBLQWUFVAROPNO-OAHLLOKOSA-N 1 2 317.393 1.671 40 0 DDABLO C[C@]1(O)C[N@H+](Cc2cc[nH]n2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257271435 407529589 /nfs/dbraw/zinc/52/95/89/407529589.db2.gz MYIHDKVPHUDOQH-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257271435 407529594 /nfs/dbraw/zinc/52/95/94/407529594.db2.gz MYIHDKVPHUDOQH-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO CCNc1nc(NCCc2ccncc2)cc(-c2ccncc2)[nH+]1 ZINC000329035862 410063334 /nfs/dbraw/zinc/06/33/34/410063334.db2.gz RFWYXPPSJKWELX-UHFFFAOYSA-N 1 2 320.400 1.864 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc(C3CC3)nc2)[nH+]1 ZINC000257234688 301024875 /nfs/dbraw/zinc/02/48/75/301024875.db2.gz GUQRKDLDJHYMMI-ZDUSSCGKSA-N 1 2 313.361 1.599 40 0 DDABLO Cc1ccc(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000008497488 352135653 /nfs/dbraw/zinc/13/56/53/352135653.db2.gz UHKVYBVBRSWUHG-OAHLLOKOSA-N 1 2 306.406 1.519 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ccnn21 ZINC000585113112 354810094 /nfs/dbraw/zinc/81/00/94/354810094.db2.gz ZZSILUAQNZEZAQ-HNNXBMFYSA-N 1 2 314.389 1.585 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2ccnn21 ZINC000585113112 354810097 /nfs/dbraw/zinc/81/00/97/354810097.db2.gz ZZSILUAQNZEZAQ-HNNXBMFYSA-N 1 2 314.389 1.585 40 0 DDABLO CCCn1ccnc1C[N@@H+]1CCC[C@](O)(CCC(=O)N(C)C)C1 ZINC000585277990 354821161 /nfs/dbraw/zinc/82/11/61/354821161.db2.gz OKJXZHWIBKAINQ-KRWDZBQOSA-N 1 2 322.453 1.488 40 0 DDABLO CCCn1ccnc1C[N@H+]1CCC[C@](O)(CCC(=O)N(C)C)C1 ZINC000585277990 354821165 /nfs/dbraw/zinc/82/11/65/354821165.db2.gz OKJXZHWIBKAINQ-KRWDZBQOSA-N 1 2 322.453 1.488 40 0 DDABLO COCC(=O)N1Cc2c[nH+]cn2[C@H](COc2ncccc2F)C1 ZINC000247826915 202691757 /nfs/dbraw/zinc/69/17/57/202691757.db2.gz JPNWFFCQJDARFE-LBPRGKRZSA-N 1 2 320.324 1.026 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnc[nH]c2=O)cc[nH+]1 ZINC000257307764 203032316 /nfs/dbraw/zinc/03/23/16/203032316.db2.gz TUAAPNPGZSEDSP-ZDUSSCGKSA-N 1 2 313.361 1.621 40 0 DDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)[nH+]1 ZINC000257310860 203034975 /nfs/dbraw/zinc/03/49/75/203034975.db2.gz UGYLPTTXTSTAIR-CQSZACIVSA-N 1 2 301.394 1.709 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Nc2nccs2)C1 ZINC000257288141 203013232 /nfs/dbraw/zinc/01/32/32/203013232.db2.gz PTAHBLALQCKXJW-JTQLQIEISA-N 1 2 318.406 1.341 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Nc2nccs2)C1 ZINC000257288141 203013234 /nfs/dbraw/zinc/01/32/34/203013234.db2.gz PTAHBLALQCKXJW-JTQLQIEISA-N 1 2 318.406 1.341 40 0 DDABLO C[C@]1(O)CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1ccccc1 ZINC000257322516 203047448 /nfs/dbraw/zinc/04/74/48/203047448.db2.gz WGGYMIPQRGFYQM-RDJZCZTQSA-N 1 2 315.373 1.314 40 0 DDABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)cnn1C ZINC000257339088 203059983 /nfs/dbraw/zinc/05/99/83/203059983.db2.gz ZADXKBSREZGNPI-MRXNPFEDSA-N 1 2 315.421 1.763 40 0 DDABLO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)cnn1C ZINC000257339088 203059986 /nfs/dbraw/zinc/05/99/86/203059986.db2.gz ZADXKBSREZGNPI-MRXNPFEDSA-N 1 2 315.421 1.763 40 0 DDABLO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000020029309 182181656 /nfs/dbraw/zinc/18/16/56/182181656.db2.gz WDCUZOIOBDUMTA-MRXNPFEDSA-N 1 2 320.433 1.620 40 0 DDABLO O=C(CCSCc1ccccc1)NCC[NH+]1CCOCC1 ZINC000013688175 406865885 /nfs/dbraw/zinc/86/58/85/406865885.db2.gz LOIWBCDLSFABPM-UHFFFAOYSA-N 1 2 308.447 1.758 40 0 DDABLO COCCC(=O)N1C[C@H]2C[N@H+](Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC000096080514 407234658 /nfs/dbraw/zinc/23/46/58/407234658.db2.gz RDHSLNLAUJOYIN-UKRRQHHQSA-N 1 2 322.380 1.513 40 0 DDABLO COCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC000096080514 407234659 /nfs/dbraw/zinc/23/46/59/407234659.db2.gz RDHSLNLAUJOYIN-UKRRQHHQSA-N 1 2 322.380 1.513 40 0 DDABLO O=C(c1ccccc1)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096201145 407248611 /nfs/dbraw/zinc/24/86/11/407248611.db2.gz ATTSHGKKUPRKJU-UHFFFAOYSA-N 1 2 308.345 1.179 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NC4CCC4)O[C@@H]3C2)no1 ZINC000107717691 407378756 /nfs/dbraw/zinc/37/87/56/407378756.db2.gz NPMWHIZADADCDK-APHBMKBZSA-N 1 2 319.405 1.631 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NC4CCC4)O[C@@H]3C2)no1 ZINC000107717691 407378757 /nfs/dbraw/zinc/37/87/57/407378757.db2.gz NPMWHIZADADCDK-APHBMKBZSA-N 1 2 319.405 1.631 40 0 DDABLO C[C@H]1C[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000195539303 407465246 /nfs/dbraw/zinc/46/52/46/407465246.db2.gz MISBPLBNETWOBD-LLLHUVSDSA-N 1 2 315.417 1.690 40 0 DDABLO C[C@H]1C[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000195539303 407465250 /nfs/dbraw/zinc/46/52/50/407465250.db2.gz MISBPLBNETWOBD-LLLHUVSDSA-N 1 2 315.417 1.690 40 0 DDABLO CCn1ncc(S(=O)(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c1C ZINC000257200098 407489729 /nfs/dbraw/zinc/48/97/29/407489729.db2.gz ABYXXMJCRVMOEP-LBPRGKRZSA-N 1 2 323.422 1.421 40 0 DDABLO Cc1nccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257225056 407503170 /nfs/dbraw/zinc/50/31/70/407503170.db2.gz FEPKIRIEJVBKSK-OAHLLOKOSA-N 1 2 315.377 1.362 40 0 DDABLO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)n1 ZINC000257232469 407510789 /nfs/dbraw/zinc/51/07/89/407510789.db2.gz GKZFGUQAYOTPIS-BPLDGKMQSA-N 1 2 300.362 1.471 40 0 DDABLO Cc1noc(C)c1C(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257248091 407516672 /nfs/dbraw/zinc/51/66/72/407516672.db2.gz JCAYZCZVPXBTOL-INIZCTEOSA-N 1 2 316.361 1.058 40 0 DDABLO Cc1cc(C)cc(CSCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000408562554 418809916 /nfs/dbraw/zinc/80/99/16/418809916.db2.gz AVZATTZWYPZGIE-UHFFFAOYSA-N 1 2 322.474 1.985 40 0 DDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc([C@H](C2CC2)n2cccc2)no1 ZINC000409439824 568413312 /nfs/dbraw/zinc/41/33/12/568413312.db2.gz IWESSQXBMZAYCH-RYUDHWBXSA-N 1 2 324.406 1.305 40 0 DDABLO COC[C@H]1Cc2c(ncn2C)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000585094542 354803502 /nfs/dbraw/zinc/80/35/02/354803502.db2.gz AMNKMNLZRHSTJL-OAHLLOKOSA-N 1 2 301.390 1.486 40 0 DDABLO COC[C@H]1Cc2c(ncn2C)C[N@H+]1Cc1ccc(CO)cc1 ZINC000585094542 354803505 /nfs/dbraw/zinc/80/35/05/354803505.db2.gz AMNKMNLZRHSTJL-OAHLLOKOSA-N 1 2 301.390 1.486 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1ccc(CO)cc1 ZINC000585094542 354803509 /nfs/dbraw/zinc/80/35/09/354803509.db2.gz AMNKMNLZRHSTJL-OAHLLOKOSA-N 1 2 301.390 1.486 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccc(F)cc1 ZINC000585094970 354803741 /nfs/dbraw/zinc/80/37/41/354803741.db2.gz XPQLROXFPRYYFE-CQSZACIVSA-N 1 2 317.364 1.702 40 0 DDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NC2CCCC2)C1 ZINC000585096108 354804151 /nfs/dbraw/zinc/80/41/51/354804151.db2.gz RRFYXVXNPSUAFO-BYCMXARLSA-N 1 2 316.405 1.481 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)Cc2ccnn21 ZINC000585111721 354810446 /nfs/dbraw/zinc/81/04/46/354810446.db2.gz GTPBVFINKKWMSU-CYBMUJFWSA-N 1 2 320.343 1.854 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)Cc2ccnn21 ZINC000585111721 354810449 /nfs/dbraw/zinc/81/04/49/354810449.db2.gz GTPBVFINKKWMSU-CYBMUJFWSA-N 1 2 320.343 1.854 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257275840 203003585 /nfs/dbraw/zinc/00/35/85/203003585.db2.gz NREFGJUBQFXCDL-LBPRGKRZSA-N 1 2 323.422 1.328 40 0 DDABLO Cn1c[nH+]cc1-c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257300836 203025313 /nfs/dbraw/zinc/02/53/13/203025313.db2.gz RVWLVYOCDWQYDG-CYBMUJFWSA-N 1 2 306.391 1.579 40 0 DDABLO Cc1nc(C)c(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)s1 ZINC000257282074 203009684 /nfs/dbraw/zinc/00/96/84/203009684.db2.gz OSGBHTICUQHWFQ-STQMWFEESA-N 1 2 320.418 1.795 40 0 DDABLO CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000257323209 203047084 /nfs/dbraw/zinc/04/70/84/203047084.db2.gz WJEDWCKHYVXVRB-GFCCVEGCSA-N 1 2 323.422 1.769 40 0 DDABLO Cc1ccc(N2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)[nH+]c1 ZINC000257343080 203065141 /nfs/dbraw/zinc/06/51/41/203065141.db2.gz ZRKIYUYUVTUEIJ-LBPRGKRZSA-N 1 2 320.418 1.901 40 0 DDABLO [O-][n+]1cc(Cl)cc(Cl)c1NCCC[NH+]1CCOCC1 ZINC000020494391 182224270 /nfs/dbraw/zinc/22/42/70/182224270.db2.gz JBSXZVCZMABEPE-UHFFFAOYSA-N 1 2 306.193 1.761 40 0 DDABLO OCC[NH+](CCO)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000001684161 406674720 /nfs/dbraw/zinc/67/47/20/406674720.db2.gz BZDKDPNTSCHRFC-UHFFFAOYSA-N 1 2 304.177 1.656 40 0 DDABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@@H](Cn3cccn3)CC[C@@H]21 ZINC000096250263 407256420 /nfs/dbraw/zinc/25/64/20/407256420.db2.gz UZCVUJAHTCHMCG-IJEWVQPXSA-N 1 2 301.394 1.296 40 0 DDABLO C[NH+](C)Cc1nc2c(o1)CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000096260256 407258458 /nfs/dbraw/zinc/25/84/58/407258458.db2.gz PRFADNWKMBCHMZ-UHFFFAOYSA-N 1 2 315.329 1.621 40 0 DDABLO CCOCC(=O)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096066857 407233906 /nfs/dbraw/zinc/23/39/06/407233906.db2.gz UHEJLURFKIKUEH-CQSZACIVSA-N 1 2 307.394 1.305 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2Cc2cccnc2)C1 ZINC000096080540 407234691 /nfs/dbraw/zinc/23/46/91/407234691.db2.gz MELNVZCADVRWRF-OCCSQVGLSA-N 1 2 300.387 1.495 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2Cc2cccnc2)C1 ZINC000096080540 407234692 /nfs/dbraw/zinc/23/46/92/407234692.db2.gz MELNVZCADVRWRF-OCCSQVGLSA-N 1 2 300.387 1.495 40 0 DDABLO CS(=O)(=O)NCc1cncc2c1CC[N@H+](Cc1ccco1)C2 ZINC000096189474 407246829 /nfs/dbraw/zinc/24/68/29/407246829.db2.gz XVIHQAGQYDMEOT-UHFFFAOYSA-N 1 2 321.402 1.282 40 0 DDABLO CS(=O)(=O)NCc1cncc2c1CC[N@@H+](Cc1ccco1)C2 ZINC000096189474 407246830 /nfs/dbraw/zinc/24/68/30/407246830.db2.gz XVIHQAGQYDMEOT-UHFFFAOYSA-N 1 2 321.402 1.282 40 0 DDABLO Cc1ncsc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257238256 407511272 /nfs/dbraw/zinc/51/12/72/407511272.db2.gz HKEAOXBUXXFTSB-RYUDHWBXSA-N 1 2 306.391 1.486 40 0 DDABLO Cc1ncccc1C(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257240466 407513122 /nfs/dbraw/zinc/51/31/22/407513122.db2.gz HTPFSYCALJFJHI-RBSFLKMASA-N 1 2 300.362 1.423 40 0 DDABLO CC(=O)N1CCC[C@H](Cc2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257246769 407517950 /nfs/dbraw/zinc/51/79/50/407517950.db2.gz IVTQKIOPYFZJNQ-CQSZACIVSA-N 1 2 313.405 1.987 40 0 DDABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2ccn(C)n2)ccn1 ZINC000257286371 407529704 /nfs/dbraw/zinc/52/97/04/407529704.db2.gz PLHYFWFUUTYPEL-KRWDZBQOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)ccn1 ZINC000257286371 407529707 /nfs/dbraw/zinc/52/97/07/407529707.db2.gz PLHYFWFUUTYPEL-KRWDZBQOSA-N 1 2 313.405 1.788 40 0 DDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3cc(F)ccc32)CC1 ZINC000225752487 407604515 /nfs/dbraw/zinc/60/45/15/407604515.db2.gz OHQOBXDBTTZPEO-UHFFFAOYSA-N 1 2 317.364 1.305 40 0 DDABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188554 280217204 /nfs/dbraw/zinc/21/72/04/280217204.db2.gz ITJZNQRBBPNPOM-ZDUSSCGKSA-N 1 2 311.345 1.645 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(C)[nH]c2=O)[nH+]1 ZINC000257291909 301025445 /nfs/dbraw/zinc/02/54/45/301025445.db2.gz QJEYSUBORHOKKQ-GFCCVEGCSA-N 1 2 302.334 1.341 40 0 DDABLO OCC(CO)[N@@H+]1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000072384860 191143780 /nfs/dbraw/zinc/14/37/80/191143780.db2.gz PJQCGKBXMYFHOH-ZDUSSCGKSA-N 1 2 320.418 1.772 40 0 DDABLO OCC(CO)[N@H+]1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000072384860 191143781 /nfs/dbraw/zinc/14/37/81/191143781.db2.gz PJQCGKBXMYFHOH-ZDUSSCGKSA-N 1 2 320.418 1.772 40 0 DDABLO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCCn1cc[nH+]c1)OC2=O ZINC000004013874 181062291 /nfs/dbraw/zinc/06/22/91/181062291.db2.gz DTCKJQCNKMXCHA-JKSUJKDBSA-N 1 2 305.378 1.511 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc(C)no1)[C@H]2C ZINC000585097284 354804651 /nfs/dbraw/zinc/80/46/51/354804651.db2.gz HQKPKDDUVGMUOM-NSHDSACASA-N 1 2 304.350 1.585 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)[C@H]1CCCS1)[C@H]2C ZINC000585098707 354805833 /nfs/dbraw/zinc/80/58/33/354805833.db2.gz XQUMVUCGGSMPAN-WCQYABFASA-N 1 2 309.435 1.871 40 0 DDABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585111747 354810271 /nfs/dbraw/zinc/81/02/71/354810271.db2.gz AHRHJWVBLQNQAL-ZDUSSCGKSA-N 1 2 312.439 1.120 40 0 DDABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)C2CC2)C1 ZINC000585111747 354810274 /nfs/dbraw/zinc/81/02/74/354810274.db2.gz AHRHJWVBLQNQAL-ZDUSSCGKSA-N 1 2 312.439 1.120 40 0 DDABLO CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585276066 354820269 /nfs/dbraw/zinc/82/02/69/354820269.db2.gz LPZBNZBZGBSZCJ-INIZCTEOSA-N 1 2 308.426 1.568 40 0 DDABLO CO[C@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585276066 354820270 /nfs/dbraw/zinc/82/02/70/354820270.db2.gz LPZBNZBZGBSZCJ-INIZCTEOSA-N 1 2 308.426 1.568 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cnn(C)c2C)[nH+]1 ZINC000257303721 203026930 /nfs/dbraw/zinc/02/69/30/203026930.db2.gz SIKZCPXVFNHQBQ-AWEZNQCLSA-N 1 2 317.393 1.293 40 0 DDABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257279097 203009069 /nfs/dbraw/zinc/00/90/69/203009069.db2.gz OEZYNSRUJQFRNO-MRXNPFEDSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2nccn2C)ccn1 ZINC000257279097 203009072 /nfs/dbraw/zinc/00/90/72/203009072.db2.gz OEZYNSRUJQFRNO-MRXNPFEDSA-N 1 2 313.405 1.788 40 0 DDABLO Cc1c[nH]c([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257285204 203012722 /nfs/dbraw/zinc/01/27/22/203012722.db2.gz PGCGRNKXYZPNBE-CYBMUJFWSA-N 1 2 303.366 1.295 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O)c1ccccn1 ZINC000257287884 203013868 /nfs/dbraw/zinc/01/38/68/203013868.db2.gz PRWLVUVNZBRLNB-HZPDHXFCSA-N 1 2 315.348 1.196 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O)c1ccccn1 ZINC000257287884 203013869 /nfs/dbraw/zinc/01/38/69/203013869.db2.gz PRWLVUVNZBRLNB-HZPDHXFCSA-N 1 2 315.348 1.196 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)cs1 ZINC000096043136 256553626 /nfs/dbraw/zinc/55/36/26/256553626.db2.gz IEBBWCCRTCTRTM-CFVMTHIKSA-N 1 2 323.462 1.956 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)cs1 ZINC000096043136 256553628 /nfs/dbraw/zinc/55/36/28/256553628.db2.gz IEBBWCCRTCTRTM-CFVMTHIKSA-N 1 2 323.462 1.956 40 0 DDABLO Cc1ccc(C[N@@H+]2CCO[C@H]3CN(c4ncc(C)cn4)C[C@H]32)o1 ZINC000096248794 292101049 /nfs/dbraw/zinc/10/10/49/292101049.db2.gz WUXOAEHEJNGSRU-CVEARBPZSA-N 1 2 314.389 1.776 40 0 DDABLO Cc1ccc(C[N@H+]2CCO[C@H]3CN(c4ncc(C)cn4)C[C@H]32)o1 ZINC000096248794 292101050 /nfs/dbraw/zinc/10/10/50/292101050.db2.gz WUXOAEHEJNGSRU-CVEARBPZSA-N 1 2 314.389 1.776 40 0 DDABLO CCOC(=O)Nc1nc2ccccc2n1C[NH+]1CCOCC1 ZINC000013212116 406860047 /nfs/dbraw/zinc/86/00/47/406860047.db2.gz ITFRRPFIXKPOES-UHFFFAOYSA-N 1 2 304.350 1.894 40 0 DDABLO Cc1cccc2c(=O)c(NC(=O)N3CC[NH+](C)CC3)c[nH]c12 ZINC000013565874 406862772 /nfs/dbraw/zinc/86/27/72/406862772.db2.gz WBEIDOODYAYRAK-UHFFFAOYSA-N 1 2 300.362 1.616 40 0 DDABLO Cn1cc(CN2CCCn3c(C[NH+]4CCCC4)nnc3C2)cn1 ZINC000096259714 407258115 /nfs/dbraw/zinc/25/81/15/407258115.db2.gz PGWXIGOPSJGUKY-UHFFFAOYSA-N 1 2 315.425 1.013 40 0 DDABLO Cn1cc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)cn1 ZINC000096260197 407258514 /nfs/dbraw/zinc/25/85/14/407258514.db2.gz GWPMIDYQRDZGLB-UHFFFAOYSA-N 1 2 301.394 1.559 40 0 DDABLO Cn1cc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)cn1 ZINC000096260197 407258515 /nfs/dbraw/zinc/25/85/15/407258515.db2.gz GWPMIDYQRDZGLB-UHFFFAOYSA-N 1 2 301.394 1.559 40 0 DDABLO CNc1cc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)cc[nH+]1 ZINC000257205872 407493501 /nfs/dbraw/zinc/49/35/01/407493501.db2.gz BAXQJSPDVZKUNX-NSHDSACASA-N 1 2 315.333 1.302 40 0 DDABLO CCc1[nH+]ccn1CCC(=O)N1CC[C@H](c2[nH]ncc2C)C1 ZINC000257244792 407515081 /nfs/dbraw/zinc/51/50/81/407515081.db2.gz IMTODYDYTJZSFK-ZDUSSCGKSA-N 1 2 301.394 1.883 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257264766 407526380 /nfs/dbraw/zinc/52/63/80/407526380.db2.gz LVYGNJPGDZROCZ-ZDUSSCGKSA-N 1 2 324.388 1.791 40 0 DDABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(c2cc(OC)ncn2)C1 ZINC000247888137 408513849 /nfs/dbraw/zinc/51/38/49/408513849.db2.gz LRTBMTJBVDBBAV-GFCCVEGCSA-N 1 2 303.366 1.355 40 0 DDABLO c1cncc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)c1 ZINC000329067190 410083054 /nfs/dbraw/zinc/08/30/54/410083054.db2.gz YFTHYTFEGUELFA-UHFFFAOYSA-N 1 2 318.384 1.964 40 0 DDABLO Cc1nc2c(c(OCC3CC3)n1)CC[N@H+](CC(=O)N(C)C)CC2 ZINC000306129644 534625581 /nfs/dbraw/zinc/62/55/81/534625581.db2.gz IIVILKMAFVPGRE-UHFFFAOYSA-N 1 2 318.421 1.063 40 0 DDABLO Cc1nc2c(c(OCC3CC3)n1)CC[N@@H+](CC(=O)N(C)C)CC2 ZINC000306129644 534625585 /nfs/dbraw/zinc/62/55/85/534625585.db2.gz IIVILKMAFVPGRE-UHFFFAOYSA-N 1 2 318.421 1.063 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072360953 191132043 /nfs/dbraw/zinc/13/20/43/191132043.db2.gz IGLRKFZALIKFTC-CYBMUJFWSA-N 1 2 312.377 1.546 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072360953 191132045 /nfs/dbraw/zinc/13/20/45/191132045.db2.gz IGLRKFZALIKFTC-CYBMUJFWSA-N 1 2 312.377 1.546 40 0 DDABLO COCCNc1cccc(C2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC000072364903 191134268 /nfs/dbraw/zinc/13/42/68/191134268.db2.gz XHBNOJJCURCLBZ-UHFFFAOYSA-N 1 2 313.423 1.279 40 0 DDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1c(C)noc1C ZINC000585094776 354803212 /nfs/dbraw/zinc/80/32/12/354803212.db2.gz LYUAWHCHLBITJM-ZDUSSCGKSA-N 1 2 304.394 1.988 40 0 DDABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc[nH+]1 ZINC000257269164 202998964 /nfs/dbraw/zinc/99/89/64/202998964.db2.gz MOVQCFTXDWYZOI-AWEZNQCLSA-N 1 2 313.405 1.901 40 0 DDABLO Cc1nn(C)cc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257277225 203005342 /nfs/dbraw/zinc/00/53/42/203005342.db2.gz NWXXIIPXZQIXKP-CQSZACIVSA-N 1 2 313.405 1.865 40 0 DDABLO CN(C)S(=O)(=O)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257287147 203013490 /nfs/dbraw/zinc/01/34/90/203013490.db2.gz POSPJBJUPFHCQW-UHFFFAOYSA-N 1 2 308.407 1.320 40 0 DDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257330179 203053624 /nfs/dbraw/zinc/05/36/24/203053624.db2.gz XNFNLOLKLSQSJT-KRWDZBQOSA-N 1 2 317.389 1.513 40 0 DDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257330179 203053628 /nfs/dbraw/zinc/05/36/28/203053628.db2.gz XNFNLOLKLSQSJT-KRWDZBQOSA-N 1 2 317.389 1.513 40 0 DDABLO Cc1cc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)ccn1 ZINC000257321625 203045759 /nfs/dbraw/zinc/04/57/59/203045759.db2.gz WCKOZBFLNOXVRM-HNNXBMFYSA-N 1 2 300.362 1.577 40 0 DDABLO CN(C(=O)CCc1cccnc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257344183 203067027 /nfs/dbraw/zinc/06/70/27/203067027.db2.gz ZWCAGYCYWZJMAL-BFYDXBDKSA-N 1 2 314.389 1.434 40 0 DDABLO c1cn(-c2cncc(C3CCN(c4ncccn4)CC3)n2)c[nH+]1 ZINC000072355582 285534937 /nfs/dbraw/zinc/53/49/37/285534937.db2.gz OBHDZTBAZGRKFN-UHFFFAOYSA-N 1 2 307.361 1.836 40 0 DDABLO OCCOCc1nnn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096256064 407256679 /nfs/dbraw/zinc/25/66/79/407256679.db2.gz FEWDTHHLLLNEFQ-UHFFFAOYSA-N 1 2 308.407 1.254 40 0 DDABLO OCCOCc1nnn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096256064 407256681 /nfs/dbraw/zinc/25/66/81/407256681.db2.gz FEWDTHHLLLNEFQ-UHFFFAOYSA-N 1 2 308.407 1.254 40 0 DDABLO Cn1nnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096060718 407231820 /nfs/dbraw/zinc/23/18/20/407231820.db2.gz JRJSZPLOPCUBKZ-OAHLLOKOSA-N 1 2 313.405 1.736 40 0 DDABLO Cn1nnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060718 407231821 /nfs/dbraw/zinc/23/18/21/407231821.db2.gz JRJSZPLOPCUBKZ-OAHLLOKOSA-N 1 2 313.405 1.736 40 0 DDABLO c1cncc(OCc2noc3c2C[N@@H+]([C@H]2CCOC2)CC3)c1 ZINC000096085116 407236007 /nfs/dbraw/zinc/23/60/07/407236007.db2.gz UYJDSIWUQUWHAD-LBPRGKRZSA-N 1 2 301.346 1.796 40 0 DDABLO c1cncc(OCc2noc3c2C[N@H+]([C@H]2CCOC2)CC3)c1 ZINC000096085116 407236008 /nfs/dbraw/zinc/23/60/08/407236008.db2.gz UYJDSIWUQUWHAD-LBPRGKRZSA-N 1 2 301.346 1.796 40 0 DDABLO Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1cnc[nH]1)C2 ZINC000096084527 407236155 /nfs/dbraw/zinc/23/61/55/407236155.db2.gz PFSGKUJWSFWNCM-UHFFFAOYSA-N 1 2 314.393 1.285 40 0 DDABLO O=C(c1ccco1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196948 407247878 /nfs/dbraw/zinc/24/78/78/407247878.db2.gz ADAYSPLQWPQNRX-UHFFFAOYSA-N 1 2 311.345 1.419 40 0 DDABLO CCS(=O)(=O)N1CCC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000096202678 407249276 /nfs/dbraw/zinc/24/92/76/407249276.db2.gz UCFHJLKIKQQMPC-UHFFFAOYSA-N 1 2 300.449 1.606 40 0 DDABLO C[C@]12C[C@@H](c3ccccc3F)[N@H+](CC(N)=O)[C@H]1CCCC(=O)N2 ZINC000257279385 407529568 /nfs/dbraw/zinc/52/95/68/407529568.db2.gz OGICYINEOPSKPE-ZQIUZPCESA-N 1 2 319.380 1.485 40 0 DDABLO C[C@]12C[C@@H](c3ccccc3F)[N@@H+](CC(N)=O)[C@H]1CCCC(=O)N2 ZINC000257279385 407529576 /nfs/dbraw/zinc/52/95/76/407529576.db2.gz OGICYINEOPSKPE-ZQIUZPCESA-N 1 2 319.380 1.485 40 0 DDABLO CCNc1nc(NCCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329065438 410081719 /nfs/dbraw/zinc/08/17/19/410081719.db2.gz XROVXDCROWMIFP-UHFFFAOYSA-N 1 2 320.400 1.864 40 0 DDABLO Cc1c(C[NH2+]Cc2ccn(CCF)n2)cnn1CC(F)F ZINC000256051953 262523233 /nfs/dbraw/zinc/52/32/33/262523233.db2.gz LGFMDBZADUQJHX-UHFFFAOYSA-N 1 2 301.316 1.912 40 0 DDABLO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253408899 277018449 /nfs/dbraw/zinc/01/84/49/277018449.db2.gz YWXKTOXOURHUMX-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253408899 277018451 /nfs/dbraw/zinc/01/84/51/277018451.db2.gz YWXKTOXOURHUMX-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(Cc3ccccn3)CC[N@@H+]2C(C)(C)C1 ZINC000253408899 277018454 /nfs/dbraw/zinc/01/84/54/277018454.db2.gz YWXKTOXOURHUMX-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(Cc3ccccn3)CC[N@H+]2C(C)(C)C1 ZINC000253408899 277018455 /nfs/dbraw/zinc/01/84/55/277018455.db2.gz YWXKTOXOURHUMX-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO O=C1NCC[C@]12C[N@@H+](Cc1ccc(CO)cc1)CC(F)(F)C2 ZINC000585093213 483922377 /nfs/dbraw/zinc/92/23/77/483922377.db2.gz JNNCDIVDSXICSM-HNNXBMFYSA-N 1 2 310.344 1.526 40 0 DDABLO O=C1NCC[C@]12C[N@H+](Cc1ccc(CO)cc1)CC(F)(F)C2 ZINC000585093213 483922383 /nfs/dbraw/zinc/92/23/83/483922383.db2.gz JNNCDIVDSXICSM-HNNXBMFYSA-N 1 2 310.344 1.526 40 0 DDABLO Cn1nccc1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339896 191125740 /nfs/dbraw/zinc/12/57/40/191125740.db2.gz NLGGXTCOHYZCGC-UHFFFAOYSA-N 1 2 322.372 1.536 40 0 DDABLO Cn1nccc1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339896 191125743 /nfs/dbraw/zinc/12/57/43/191125743.db2.gz NLGGXTCOHYZCGC-UHFFFAOYSA-N 1 2 322.372 1.536 40 0 DDABLO CS(=O)(=O)N1CC[C@H](Cc2cccc(N3CCCC3)[nH+]2)C1 ZINC000072366311 191136059 /nfs/dbraw/zinc/13/60/59/191136059.db2.gz VYHVDVFQGVUGCY-CYBMUJFWSA-N 1 2 309.435 1.506 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1cccs1)C2 ZINC000585110765 354809200 /nfs/dbraw/zinc/80/92/00/354809200.db2.gz CMQXDEMKZUWNLW-CYBMUJFWSA-N 1 2 316.430 1.813 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1cccs1)C2 ZINC000585110765 354809205 /nfs/dbraw/zinc/80/92/05/354809205.db2.gz CMQXDEMKZUWNLW-CYBMUJFWSA-N 1 2 316.430 1.813 40 0 DDABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1 ZINC000257283116 203010349 /nfs/dbraw/zinc/01/03/49/203010349.db2.gz OWUXFAGRNGVHIP-OAHLLOKOSA-N 1 2 317.393 1.589 40 0 DDABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(C)n1 ZINC000257283116 203010355 /nfs/dbraw/zinc/01/03/55/203010355.db2.gz OWUXFAGRNGVHIP-OAHLLOKOSA-N 1 2 317.393 1.589 40 0 DDABLO CCN(C[C@]1(C)Cc2c([nH+]c(N)nc2N)O1)C(=O)OC(C)(C)C ZINC000257321678 203044335 /nfs/dbraw/zinc/04/43/35/203044335.db2.gz WCSIKCFPKUPLPD-HNNXBMFYSA-N 1 2 323.397 1.592 40 0 DDABLO CCN(C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1)C(=O)OC(C)(C)C ZINC000257321678 203044339 /nfs/dbraw/zinc/04/43/39/203044339.db2.gz WCSIKCFPKUPLPD-HNNXBMFYSA-N 1 2 323.397 1.592 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257326389 203048580 /nfs/dbraw/zinc/04/85/80/203048580.db2.gz WXAWBKNYQRNGHA-CQSZACIVSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257326389 203048583 /nfs/dbraw/zinc/04/85/83/203048583.db2.gz WXAWBKNYQRNGHA-CQSZACIVSA-N 1 2 317.418 1.906 40 0 DDABLO CN(C)c1cc(C[C@H]2COCCN(c3cccc[nH+]3)C2)ncn1 ZINC000257336553 203058683 /nfs/dbraw/zinc/05/86/83/203058683.db2.gz YOYOTIPAKNINDY-CQSZACIVSA-N 1 2 313.405 1.633 40 0 DDABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)cc[nH+]1 ZINC000257337872 203059827 /nfs/dbraw/zinc/05/98/27/203059827.db2.gz YUUHWASHIOVNIM-CQSZACIVSA-N 1 2 312.373 1.799 40 0 DDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC(CO)CC2)cn1 ZINC000257343629 203064250 /nfs/dbraw/zinc/06/42/50/203064250.db2.gz ZTUJMBSVTSBHIA-UHFFFAOYSA-N 1 2 314.389 1.674 40 0 DDABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1 ZINC000096188623 284720516 /nfs/dbraw/zinc/72/05/16/284720516.db2.gz DDIKIZNGDJDASG-GFCCVEGCSA-N 1 2 312.333 1.040 40 0 DDABLO CC(C)C(=O)N1CCN(c2ccc([NH3+])cc2-n2cnnc2)CC1 ZINC000070461822 406818936 /nfs/dbraw/zinc/81/89/36/406818936.db2.gz RAUQLPWRSHCDLP-UHFFFAOYSA-N 1 2 314.393 1.154 40 0 DDABLO Cc1cc(N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)nc[nH+]1 ZINC000072379629 406882105 /nfs/dbraw/zinc/88/21/05/406882105.db2.gz YEBUTWQZUYKCOC-MRXNPFEDSA-N 1 2 304.394 1.439 40 0 DDABLO CC[NH+]1CCN(S(=O)(=O)c2c(C)cc(OC)cc2C)CC1 ZINC000073743341 406893334 /nfs/dbraw/zinc/89/33/34/406893334.db2.gz PNBLCDZJFYCPLG-UHFFFAOYSA-N 1 2 312.435 1.638 40 0 DDABLO O=C(c1ccco1)N1CCO[C@@H]2[C@@H](Cn3cc[nH+]c3)CC[C@@H]21 ZINC000096250235 407255883 /nfs/dbraw/zinc/25/58/83/407255883.db2.gz GCQLMOKMECMKOJ-VNHYZAJKSA-N 1 2 301.346 1.796 40 0 DDABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@H]1C(=O)NCc1ccncc1 ZINC000096264926 407258024 /nfs/dbraw/zinc/25/80/24/407258024.db2.gz PSMSKPBNJIAIGR-INIZCTEOSA-N 1 2 313.405 1.439 40 0 DDABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@H]1C(=O)NCc1ccncc1 ZINC000096264926 407258026 /nfs/dbraw/zinc/25/80/26/407258026.db2.gz PSMSKPBNJIAIGR-INIZCTEOSA-N 1 2 313.405 1.439 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccncc1 ZINC000096062103 407231543 /nfs/dbraw/zinc/23/15/43/407231543.db2.gz ANLLROVNCJFZHZ-LBPRGKRZSA-N 1 2 323.360 1.135 40 0 DDABLO O=C(c1ccco1)N1CCCn2nnc(C[NH+]3CCCC3)c2C1 ZINC000096084692 407235722 /nfs/dbraw/zinc/23/57/22/407235722.db2.gz PJJOEZJXTVCFGU-UHFFFAOYSA-N 1 2 315.377 1.513 40 0 DDABLO O=C([O-])C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1 ZINC000096083225 407236163 /nfs/dbraw/zinc/23/61/63/407236163.db2.gz SGBXTFDWKFCVRM-ZOBUZTSGSA-N 1 2 302.374 1.174 40 0 DDABLO O=C([O-])C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1 ZINC000096083225 407236165 /nfs/dbraw/zinc/23/61/65/407236165.db2.gz SGBXTFDWKFCVRM-ZOBUZTSGSA-N 1 2 302.374 1.174 40 0 DDABLO CN(C)c1cccc([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257234700 407509326 /nfs/dbraw/zinc/50/93/26/407509326.db2.gz GUTMOAIHBJWOHP-AWEZNQCLSA-N 1 2 301.394 1.455 40 0 DDABLO CC[C@H](Oc1cccc(OC)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000216425240 407494166 /nfs/dbraw/zinc/49/41/66/407494166.db2.gz PPZCRMPXPOLMMT-INIZCTEOSA-N 1 2 322.405 1.301 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1cccnc1-c1cncs1 ZINC000257221949 407503562 /nfs/dbraw/zinc/50/35/62/407503562.db2.gz DRGNAHQDKUAOKS-UHFFFAOYSA-N 1 2 318.402 1.267 40 0 DDABLO Nc1ccc(NCC[NH+]2CCOCC2)c(C(=O)N2CCCC2)c1 ZINC000225497525 407589582 /nfs/dbraw/zinc/58/95/82/407589582.db2.gz FSNBRJKXLFPGEF-UHFFFAOYSA-N 1 2 318.421 1.249 40 0 DDABLO OCCCNc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000329066617 410081635 /nfs/dbraw/zinc/08/16/35/410081635.db2.gz YCISGWNJEGRQKK-UHFFFAOYSA-N 1 2 324.384 1.987 40 0 DDABLO CCn1cc(C(=O)N2CC[NH+](C)CC2)c(=O)c2cc(C)ccc21 ZINC000408713218 418810691 /nfs/dbraw/zinc/81/06/91/418810691.db2.gz OMUFEEPZCRHOCF-UHFFFAOYSA-N 1 2 313.401 1.717 40 0 DDABLO COc1cc([C@H]2NC(=O)CC[NH2+]2)cc(Br)c1OC ZINC000408737692 418811788 /nfs/dbraw/zinc/81/17/88/418811788.db2.gz NTBGCEBHTXXDBL-GFCCVEGCSA-N 1 2 315.167 1.574 40 0 DDABLO C[C@H]1CCCCN1Cc1nnc(C[N@@H+]2CCCC[C@@H]2C)n1N ZINC000260571834 333227324 /nfs/dbraw/zinc/22/73/24/333227324.db2.gz DROOCPPBMWYJOT-KBPBESRZSA-N 1 2 306.458 1.741 40 0 DDABLO C[C@H]1CCCCN1Cc1nnc(C[N@H+]2CCCC[C@@H]2C)n1N ZINC000260571834 333227325 /nfs/dbraw/zinc/22/73/25/333227325.db2.gz DROOCPPBMWYJOT-KBPBESRZSA-N 1 2 306.458 1.741 40 0 DDABLO CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378771 191140725 /nfs/dbraw/zinc/14/07/25/191140725.db2.gz KISHQLVPXSGSKN-ZDUSSCGKSA-N 1 2 321.406 1.211 40 0 DDABLO COCCNc1cc([C@H]2CC[N@@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072387494 191145160 /nfs/dbraw/zinc/14/51/60/191145160.db2.gz LZCHXHIQIQNYNN-OAHLLOKOSA-N 1 2 316.409 1.524 40 0 DDABLO COCCNc1cc([C@H]2CC[N@H+]2Cc2cnn(C)c2)nc(C)n1 ZINC000072387494 191145161 /nfs/dbraw/zinc/14/51/61/191145161.db2.gz LZCHXHIQIQNYNN-OAHLLOKOSA-N 1 2 316.409 1.524 40 0 DDABLO COCCNc1cc([C@H]2CCN2Cc2cnn(C)c2)[nH+]c(C)n1 ZINC000072387494 191145163 /nfs/dbraw/zinc/14/51/63/191145163.db2.gz LZCHXHIQIQNYNN-OAHLLOKOSA-N 1 2 316.409 1.524 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1ccc3ccccc3n1)C2 ZINC000585094774 354802805 /nfs/dbraw/zinc/80/28/05/354802805.db2.gz LYHMZDMIZOIRAE-ZDUSSCGKSA-N 1 2 322.368 1.528 40 0 DDABLO Cn1cnc(C(=O)N2CCN(CC3CC3)c3[nH+]cccc3C2)n1 ZINC000585113276 354810240 /nfs/dbraw/zinc/81/02/40/354810240.db2.gz CJOXEFKBQFLUDY-UHFFFAOYSA-N 1 2 312.377 1.083 40 0 DDABLO O[C@]1(COc2ccccc2)COCC[N@H+](Cc2cncnc2)C1 ZINC000585269055 354818740 /nfs/dbraw/zinc/81/87/40/354818740.db2.gz JCZBRNISTIKOIZ-KRWDZBQOSA-N 1 2 315.373 1.119 40 0 DDABLO O[C@]1(COc2ccccc2)COCC[N@@H+](Cc2cncnc2)C1 ZINC000585269055 354818741 /nfs/dbraw/zinc/81/87/41/354818741.db2.gz JCZBRNISTIKOIZ-KRWDZBQOSA-N 1 2 315.373 1.119 40 0 DDABLO OC[C@]1(Cc2ccc(Cl)cc2)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000585278124 354821528 /nfs/dbraw/zinc/82/15/28/354821528.db2.gz ZVEUSGZSABVLCW-INIZCTEOSA-N 1 2 321.808 1.869 40 0 DDABLO OC[C@]1(Cc2ccc(Cl)cc2)CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000585278124 354821534 /nfs/dbraw/zinc/82/15/34/354821534.db2.gz ZVEUSGZSABVLCW-INIZCTEOSA-N 1 2 321.808 1.869 40 0 DDABLO Cc1ccc(C[C@@]2(CO)C[N@H+](Cc3cncnc3)CCO2)cc1 ZINC000585277947 354821686 /nfs/dbraw/zinc/82/16/86/354821686.db2.gz ZDTSQESVRBVFSL-SFHVURJKSA-N 1 2 313.401 1.591 40 0 DDABLO Cc1ccc(C[C@@]2(CO)C[N@@H+](Cc3cncnc3)CCO2)cc1 ZINC000585277947 354821691 /nfs/dbraw/zinc/82/16/91/354821691.db2.gz ZDTSQESVRBVFSL-SFHVURJKSA-N 1 2 313.401 1.591 40 0 DDABLO CN(C)C(=O)c1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc1 ZINC000257274982 203004182 /nfs/dbraw/zinc/00/41/82/203004182.db2.gz NNMNROVZYOVVFI-AWEZNQCLSA-N 1 2 315.377 1.080 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)CCc2ccnn2C)[nH+]1 ZINC000257318737 203043224 /nfs/dbraw/zinc/04/32/24/203043224.db2.gz VPEHJYFKOMGPMI-AWEZNQCLSA-N 1 2 301.394 1.758 40 0 DDABLO CCn1nc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cc1C ZINC000257342767 203065637 /nfs/dbraw/zinc/06/56/37/203065637.db2.gz ZQCBUSJFKBCRLG-GJZGRUSLSA-N 1 2 317.393 1.246 40 0 DDABLO Cc1nc2c(c(NCCCN3CCCC3=O)n1)C[N@H+](C)CC2 ZINC000019286262 182112671 /nfs/dbraw/zinc/11/26/71/182112671.db2.gz FUQNNMJQPSMVNW-UHFFFAOYSA-N 1 2 303.410 1.197 40 0 DDABLO Cc1nc2c(c(NCCCN3CCCC3=O)n1)C[N@@H+](C)CC2 ZINC000019286262 182112672 /nfs/dbraw/zinc/11/26/72/182112672.db2.gz FUQNNMJQPSMVNW-UHFFFAOYSA-N 1 2 303.410 1.197 40 0 DDABLO O=C(OCc1ccccc1)N1CC[NH2+][C@@H](C(=O)N2CCCC2)C1 ZINC000044137908 183396328 /nfs/dbraw/zinc/39/63/28/183396328.db2.gz LSEIWRBWDGJYBP-OAHLLOKOSA-N 1 2 317.389 1.219 40 0 DDABLO COc1ccc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1OC ZINC000095533881 257137434 /nfs/dbraw/zinc/13/74/34/257137434.db2.gz ZBBZCIMKFOEEQS-DGCLKSJQSA-N 1 2 304.350 1.722 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](Cn4cccn4)CC[C@@H]32)cn1 ZINC000096250258 407255747 /nfs/dbraw/zinc/25/57/47/407255747.db2.gz GXTZYCXCSUIGCM-PMPSAXMXSA-N 1 2 301.394 1.296 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](Cn4cccn4)CC[C@@H]32)cn1 ZINC000096250258 407255749 /nfs/dbraw/zinc/25/57/49/407255749.db2.gz GXTZYCXCSUIGCM-PMPSAXMXSA-N 1 2 301.394 1.296 40 0 DDABLO CC(C)NC(=O)N1CCc2[nH+]c(NC(C)C)nc(N(C)C)c2C1 ZINC000096254059 407256925 /nfs/dbraw/zinc/25/69/25/407256925.db2.gz DEPVUGHXKMQURL-UHFFFAOYSA-N 1 2 320.441 1.839 40 0 DDABLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000096049127 407227030 /nfs/dbraw/zinc/22/70/30/407227030.db2.gz RGSNEUDCKGKWNG-KRWDZBQOSA-N 1 2 320.437 1.270 40 0 DDABLO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000096049127 407227032 /nfs/dbraw/zinc/22/70/32/407227032.db2.gz RGSNEUDCKGKWNG-KRWDZBQOSA-N 1 2 320.437 1.270 40 0 DDABLO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1 ZINC000096057658 407230994 /nfs/dbraw/zinc/23/09/94/407230994.db2.gz GETNFLXPGOSIKC-CYZMBNFOSA-N 1 2 307.419 1.401 40 0 DDABLO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1 ZINC000096057658 407230995 /nfs/dbraw/zinc/23/09/95/407230995.db2.gz GETNFLXPGOSIKC-CYZMBNFOSA-N 1 2 307.419 1.401 40 0 DDABLO Cc1nnc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3nccs3)C2)o1 ZINC000096065651 407232412 /nfs/dbraw/zinc/23/24/12/407232412.db2.gz DZHBYTLRSDJOQF-QJPTWQEYSA-N 1 2 306.391 1.982 40 0 DDABLO Cc1nnc([C@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3nccs3)C2)o1 ZINC000096065651 407232415 /nfs/dbraw/zinc/23/24/15/407232415.db2.gz DZHBYTLRSDJOQF-QJPTWQEYSA-N 1 2 306.391 1.982 40 0 DDABLO CCOC[C@H]1C[N@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198246 407247942 /nfs/dbraw/zinc/24/79/42/407247942.db2.gz HHGHPJNDXJUICJ-OAHLLOKOSA-N 1 2 316.405 1.960 40 0 DDABLO CCOC[C@H]1C[N@@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198246 407247944 /nfs/dbraw/zinc/24/79/44/407247944.db2.gz HHGHPJNDXJUICJ-OAHLLOKOSA-N 1 2 316.405 1.960 40 0 DDABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c(C)c1C ZINC000101370750 407309138 /nfs/dbraw/zinc/30/91/38/407309138.db2.gz CJKHMRFVFLHGHN-UHFFFAOYSA-O 1 2 322.454 1.904 40 0 DDABLO CCc1nnsc1C(=O)N1CC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257237541 407509569 /nfs/dbraw/zinc/50/95/69/407509569.db2.gz HGZWXVLHCNODGC-JTQLQIEISA-N 1 2 305.407 1.772 40 0 DDABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257208377 407493724 /nfs/dbraw/zinc/49/37/24/407493724.db2.gz BLYIHQSJKIJTLN-CQSZACIVSA-N 1 2 317.393 1.671 40 0 DDABLO Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257225853 407504470 /nfs/dbraw/zinc/50/44/70/407504470.db2.gz FIDQOIMADSQVSP-MRXNPFEDSA-N 1 2 314.393 1.129 40 0 DDABLO COc1ccccc1[C@H]1CN(Cc2[nH]cc[nH+]2)CCN1C(C)=O ZINC000257228577 407506695 /nfs/dbraw/zinc/50/66/95/407506695.db2.gz FUJUDZALHCUVBR-OAHLLOKOSA-N 1 2 314.389 1.824 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257248134 407518698 /nfs/dbraw/zinc/51/86/98/407518698.db2.gz JCGAZFUXIINGSE-LBPRGKRZSA-N 1 2 321.812 1.985 40 0 DDABLO CC[N@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420163 422295559 /nfs/dbraw/zinc/29/55/59/422295559.db2.gz GNIJMJZLNOWBTN-STQMWFEESA-N 1 2 303.811 1.320 40 0 DDABLO CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420163 422295563 /nfs/dbraw/zinc/29/55/63/422295563.db2.gz GNIJMJZLNOWBTN-STQMWFEESA-N 1 2 303.811 1.320 40 0 DDABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1C1CCOCC1 ZINC000096201268 279144547 /nfs/dbraw/zinc/14/45/47/279144547.db2.gz PNTRGWUCXILHKS-CYBMUJFWSA-N 1 2 301.394 1.684 40 0 DDABLO C[C@@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1C1CCOCC1 ZINC000096201268 279144552 /nfs/dbraw/zinc/14/45/52/279144552.db2.gz PNTRGWUCXILHKS-CYBMUJFWSA-N 1 2 301.394 1.684 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccnn2C(C)C)[nH+]1 ZINC000257251361 301025478 /nfs/dbraw/zinc/02/54/78/301025478.db2.gz JQKXYNDLODNFDW-CYBMUJFWSA-N 1 2 303.366 1.709 40 0 DDABLO Cc1ccc(OC[C@@]2(O)CC[N@@H+](Cc3nccn3C)C2)cc1 ZINC000585269278 354818695 /nfs/dbraw/zinc/81/86/95/354818695.db2.gz OBZLVKWZFYUURR-QGZVFWFLSA-N 1 2 301.390 1.744 40 0 DDABLO Cc1ccc(OC[C@@]2(O)CC[N@H+](Cc3nccn3C)C2)cc1 ZINC000585269278 354818696 /nfs/dbraw/zinc/81/86/96/354818696.db2.gz OBZLVKWZFYUURR-QGZVFWFLSA-N 1 2 301.390 1.744 40 0 DDABLO Cc1nc(N2CCO[C@](CO)(Cc3ccccc3F)C2)cc[nH+]1 ZINC000585276595 354820911 /nfs/dbraw/zinc/82/09/11/354820911.db2.gz QDEWNXWTPNZVNX-QGZVFWFLSA-N 1 2 317.364 1.735 40 0 DDABLO CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257275761 203004412 /nfs/dbraw/zinc/00/44/12/203004412.db2.gz NQTUVXPXRYETGE-OAHLLOKOSA-N 1 2 313.405 1.796 40 0 DDABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2ccn(C)n2)ccn1 ZINC000257286372 203013660 /nfs/dbraw/zinc/01/36/60/203013660.db2.gz PLHYFWFUUTYPEL-QGZVFWFLSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2ccn(C)n2)ccn1 ZINC000257286372 203013661 /nfs/dbraw/zinc/01/36/61/203013661.db2.gz PLHYFWFUUTYPEL-QGZVFWFLSA-N 1 2 313.405 1.788 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2cccc(F)c2)[nH+]1 ZINC000257293881 203018642 /nfs/dbraw/zinc/01/86/42/203018642.db2.gz QROYULNLHDPWTP-CQSZACIVSA-N 1 2 303.337 2.000 40 0 DDABLO COC(=O)[C@@H]1C[C@@H](Oc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC000039954746 183024455 /nfs/dbraw/zinc/02/44/55/183024455.db2.gz RVUHHAJQRVEKRP-MNOVXSKESA-N 1 2 305.252 1.868 40 0 DDABLO Cc1cc(NCC[NH+]2CCOCC2)n2c3ccccc3nc2n1 ZINC000033945180 406964007 /nfs/dbraw/zinc/96/40/07/406964007.db2.gz ZDJXGYVIZKCJOJ-UHFFFAOYSA-N 1 2 311.389 1.935 40 0 DDABLO O=C(NCC1CC1)[C@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000096044179 407226276 /nfs/dbraw/zinc/22/62/76/407226276.db2.gz YJQPEFSJGHVAEI-CQSZACIVSA-N 1 2 314.389 1.634 40 0 DDABLO O=C(NCC1CC1)[C@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000096044179 407226278 /nfs/dbraw/zinc/22/62/78/407226278.db2.gz YJQPEFSJGHVAEI-CQSZACIVSA-N 1 2 314.389 1.634 40 0 DDABLO c1csc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)n1 ZINC000096055891 407229900 /nfs/dbraw/zinc/22/99/00/407229900.db2.gz BZDVUBSFDSHSLL-RRFJBIMHSA-N 1 2 317.414 1.954 40 0 DDABLO c1csc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)n1 ZINC000096055891 407229901 /nfs/dbraw/zinc/22/99/01/407229901.db2.gz BZDVUBSFDSHSLL-RRFJBIMHSA-N 1 2 317.414 1.954 40 0 DDABLO CCOC[C@@H]1C[N@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198245 407247609 /nfs/dbraw/zinc/24/76/09/407247609.db2.gz HHGHPJNDXJUICJ-HNNXBMFYSA-N 1 2 316.405 1.960 40 0 DDABLO CCOC[C@@H]1C[N@@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198245 407247610 /nfs/dbraw/zinc/24/76/10/407247610.db2.gz HHGHPJNDXJUICJ-HNNXBMFYSA-N 1 2 316.405 1.960 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257223792 407503083 /nfs/dbraw/zinc/50/30/83/407503083.db2.gz DYWVJIQHGBDSMS-LLVKDONJSA-N 1 2 311.432 1.968 40 0 DDABLO CNc1cc([C@H]2CCCN2C(=O)C(C)(C)n2cncn2)cc[nH+]1 ZINC000257229687 407505949 /nfs/dbraw/zinc/50/59/49/407505949.db2.gz FZDPBQGFXSZYLF-CYBMUJFWSA-N 1 2 314.393 1.814 40 0 DDABLO c1cnc(N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)nc1 ZINC000253596808 407460604 /nfs/dbraw/zinc/46/06/04/407460604.db2.gz WEMHBVGPSUVWMQ-AWEZNQCLSA-N 1 2 311.389 1.969 40 0 DDABLO COc1ccc(S(=O)(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257262758 407526748 /nfs/dbraw/zinc/52/67/48/407526748.db2.gz LMTOYLBSRUDPGZ-GFCCVEGCSA-N 1 2 321.402 1.905 40 0 DDABLO C[C@@H](c1cnccn1)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276139008 408822494 /nfs/dbraw/zinc/82/24/94/408822494.db2.gz OFZZZLFGELEIDO-HNNXBMFYSA-N 1 2 317.437 1.168 40 0 DDABLO C[C@@H](c1cnccn1)[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276139008 408822495 /nfs/dbraw/zinc/82/24/95/408822495.db2.gz OFZZZLFGELEIDO-HNNXBMFYSA-N 1 2 317.437 1.168 40 0 DDABLO Cn1cc(C[N@@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306123733 279336995 /nfs/dbraw/zinc/33/69/95/279336995.db2.gz AUVSNWLEWVWCKG-ZFWWWQNUSA-N 1 2 303.387 1.175 40 0 DDABLO Cn1cc(C[N@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306123733 279336998 /nfs/dbraw/zinc/33/69/98/279336998.db2.gz AUVSNWLEWVWCKG-ZFWWWQNUSA-N 1 2 303.387 1.175 40 0 DDABLO COCCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000004230569 292741691 /nfs/dbraw/zinc/74/16/91/292741691.db2.gz ISZKYJDASITVGO-AWEZNQCLSA-N 1 2 305.357 1.644 40 0 DDABLO Cc1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)no1 ZINC000097953387 332203317 /nfs/dbraw/zinc/20/33/17/332203317.db2.gz IISMYESZCKSFQE-ARFHVFGLSA-N 1 2 319.405 1.346 40 0 DDABLO Cc1cc(C[N@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCC3CC3)C2)no1 ZINC000097953387 332203319 /nfs/dbraw/zinc/20/33/19/332203319.db2.gz IISMYESZCKSFQE-ARFHVFGLSA-N 1 2 319.405 1.346 40 0 DDABLO CN1CC[C@]2(C[N@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093423 483921964 /nfs/dbraw/zinc/92/19/64/483921964.db2.gz VSFDBKIRAWRQFY-INIZCTEOSA-N 1 2 324.371 1.868 40 0 DDABLO CN1CC[C@]2(C[N@@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093423 483921967 /nfs/dbraw/zinc/92/19/67/483921967.db2.gz VSFDBKIRAWRQFY-INIZCTEOSA-N 1 2 324.371 1.868 40 0 DDABLO Cc1cccc(OC[C@@]2(O)COCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000585269194 354818670 /nfs/dbraw/zinc/81/86/70/354818670.db2.gz LCWPYAWPMZEAJI-KRWDZBQOSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](Cc3cc[nH]n3)C2)c1 ZINC000585269194 354818671 /nfs/dbraw/zinc/81/86/71/354818671.db2.gz LCWPYAWPMZEAJI-KRWDZBQOSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1cccc(OC[C@]2(O)COCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000585269195 354818690 /nfs/dbraw/zinc/81/86/90/354818690.db2.gz LCWPYAWPMZEAJI-QGZVFWFLSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1cccc(OC[C@]2(O)COCC[N@@H+](Cc3cc[nH]n3)C2)c1 ZINC000585269195 354818691 /nfs/dbraw/zinc/81/86/91/354818691.db2.gz LCWPYAWPMZEAJI-QGZVFWFLSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1ccc(OC[C@@]2(O)COCCN(Cc3[nH]cc[nH+]3)C2)cc1 ZINC000585277791 354821619 /nfs/dbraw/zinc/82/16/19/354821619.db2.gz XYGWOAAVTZTZBW-KRWDZBQOSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2c(C)n[nH]c2C)[nH+]1 ZINC000257264590 202994209 /nfs/dbraw/zinc/99/42/09/202994209.db2.gz LVDMNMKMLWQKNY-CYBMUJFWSA-N 1 2 303.366 1.201 40 0 DDABLO O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257297737 203022266 /nfs/dbraw/zinc/02/22/66/203022266.db2.gz RIQNJIRNHMLFKH-CYBMUJFWSA-N 1 2 319.796 1.717 40 0 DDABLO Cc1ccc(CC(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)s1 ZINC000257286918 203013799 /nfs/dbraw/zinc/01/37/99/203013799.db2.gz PNQLECMLQIOAFC-UMVBOHGHSA-N 1 2 305.403 1.676 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257291182 203016732 /nfs/dbraw/zinc/01/67/32/203016732.db2.gz QFZQSRDIHZVINX-ZDUSSCGKSA-N 1 2 305.403 1.907 40 0 DDABLO CN([C@@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)N1CCCC1 ZINC000257332585 203054268 /nfs/dbraw/zinc/05/42/68/203054268.db2.gz XXXWEKZWUAAMJP-CQSZACIVSA-N 1 2 324.450 1.323 40 0 DDABLO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257310931 203036685 /nfs/dbraw/zinc/03/66/85/203036685.db2.gz UHFWXIQKIUZWQZ-RDJZCZTQSA-N 1 2 322.380 1.688 40 0 DDABLO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257310931 203036689 /nfs/dbraw/zinc/03/66/89/203036689.db2.gz UHFWXIQKIUZWQZ-RDJZCZTQSA-N 1 2 322.380 1.688 40 0 DDABLO OCC[N@@H+]1CCO[C@@H](COc2ccc(Br)cc2)C1 ZINC000217498889 257132602 /nfs/dbraw/zinc/13/26/02/257132602.db2.gz UYWMVKCYUGEJOZ-CYBMUJFWSA-N 1 2 316.195 1.521 40 0 DDABLO OCC[N@H+]1CCO[C@@H](COc2ccc(Br)cc2)C1 ZINC000217498889 257132603 /nfs/dbraw/zinc/13/26/03/257132603.db2.gz UYWMVKCYUGEJOZ-CYBMUJFWSA-N 1 2 316.195 1.521 40 0 DDABLO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CC(C)(C)C)C2)C1 ZINC000514290397 257215652 /nfs/dbraw/zinc/21/56/52/257215652.db2.gz XXLYTVYLZKJAAN-LSDHHAIUSA-N 1 2 323.481 1.020 40 0 biogenic,in-vitro DDABLO CC(C)C(=O)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(CC(C)(C)C)C2)C1 ZINC000514290397 257215654 /nfs/dbraw/zinc/21/56/54/257215654.db2.gz XXLYTVYLZKJAAN-LSDHHAIUSA-N 1 2 323.481 1.020 40 0 biogenic,in-vitro DDABLO COc1ccc([C@@H](NC(=O)c2cncnc2)c2[nH+]ccn2C)cc1 ZINC000012114929 406835390 /nfs/dbraw/zinc/83/53/90/406835390.db2.gz GNZLPUJOTHPGSQ-OAHLLOKOSA-N 1 2 323.356 1.738 40 0 DDABLO Cn1cc(C[N@H+]2CCc3nc4ccccc4c(=O)n3CC2)cn1 ZINC000019290712 406884392 /nfs/dbraw/zinc/88/43/92/406884392.db2.gz ICEHAUGQKSAEMQ-UHFFFAOYSA-N 1 2 309.373 1.188 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3nc4ccccc4c(=O)n3CC2)cn1 ZINC000019290712 406884394 /nfs/dbraw/zinc/88/43/94/406884394.db2.gz ICEHAUGQKSAEMQ-UHFFFAOYSA-N 1 2 309.373 1.188 40 0 DDABLO CCOC(=O)N1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000031923745 406943974 /nfs/dbraw/zinc/94/39/74/406943974.db2.gz ZHWBSKUFVXEUFG-CYBMUJFWSA-N 1 2 306.362 1.601 40 0 DDABLO Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C(C)C)c1 ZINC000096248687 407255849 /nfs/dbraw/zinc/25/58/49/407255849.db2.gz XJZUGHVDKYNLOK-CVEARBPZSA-N 1 2 324.446 1.477 40 0 DDABLO Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C(C)C)c1 ZINC000096248687 407255851 /nfs/dbraw/zinc/25/58/51/407255851.db2.gz XJZUGHVDKYNLOK-CVEARBPZSA-N 1 2 324.446 1.477 40 0 DDABLO CC(C)COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060232 407231984 /nfs/dbraw/zinc/23/19/84/407231984.db2.gz FAICHIJADYAOHG-HNNXBMFYSA-N 1 2 317.437 1.926 40 0 DDABLO CC(C)COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060232 407231986 /nfs/dbraw/zinc/23/19/86/407231986.db2.gz FAICHIJADYAOHG-HNNXBMFYSA-N 1 2 317.437 1.926 40 0 DDABLO O=C(c1ccsc1)N1C[C@H]([NH+]2CCOCC2)[C@@H]2OCCC[C@@H]21 ZINC000096185810 407244337 /nfs/dbraw/zinc/24/43/37/407244337.db2.gz BTZZEXDTARSYAM-SOUVJXGZSA-N 1 2 322.430 1.452 40 0 DDABLO C[C@]1(O)CC[N@H+](Cc2c[nH]cn2)C[C@@H]1Oc1cccc(F)c1 ZINC000257207725 407492546 /nfs/dbraw/zinc/49/25/46/407492546.db2.gz BIYPRNPBFYLJRD-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)CC[N@@H+](Cc2c[nH]cn2)C[C@@H]1Oc1cccc(F)c1 ZINC000257207725 407492551 /nfs/dbraw/zinc/49/25/51/407492551.db2.gz BIYPRNPBFYLJRD-HOTGVXAUSA-N 1 2 305.353 1.953 40 0 DDABLO COc1ccccc1CC(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257227731 407506841 /nfs/dbraw/zinc/50/68/41/407506841.db2.gz FQQFYPJBQXEHEP-CQSZACIVSA-N 1 2 315.373 1.869 40 0 DDABLO OCCNc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000328986381 410037277 /nfs/dbraw/zinc/03/72/77/410037277.db2.gz HYCVOEUFQAVTJQ-UHFFFAOYSA-N 1 2 324.306 1.763 40 0 DDABLO Cc1ccc(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)c(C)c1 ZINC000408679536 418810797 /nfs/dbraw/zinc/81/07/97/418810797.db2.gz NMJRLPINJGYPHA-HNNXBMFYSA-N 1 2 306.406 1.519 40 0 DDABLO CC[N@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575420160 422295930 /nfs/dbraw/zinc/29/59/30/422295930.db2.gz GNIJMJZLNOWBTN-CHWSQXEVSA-N 1 2 303.811 1.320 40 0 DDABLO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575420160 422295936 /nfs/dbraw/zinc/29/59/36/422295936.db2.gz GNIJMJZLNOWBTN-CHWSQXEVSA-N 1 2 303.811 1.320 40 0 DDABLO O=c1c2ccsc2nc2n1CC[N@H+](Cc1cccnc1)CC2 ZINC000019339609 280392796 /nfs/dbraw/zinc/39/27/96/280392796.db2.gz RQWGRRXIYZCPHM-UHFFFAOYSA-N 1 2 312.398 1.911 40 0 DDABLO O=c1c2ccsc2nc2n1CC[N@@H+](Cc1cccnc1)CC2 ZINC000019339609 280392797 /nfs/dbraw/zinc/39/27/97/280392797.db2.gz RQWGRRXIYZCPHM-UHFFFAOYSA-N 1 2 312.398 1.911 40 0 DDABLO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133360 526894859 /nfs/dbraw/zinc/89/48/59/526894859.db2.gz MJNPVEWDZPALFJ-DLBZAZTESA-N 1 2 322.405 1.422 40 0 DDABLO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133360 526894862 /nfs/dbraw/zinc/89/48/62/526894862.db2.gz MJNPVEWDZPALFJ-DLBZAZTESA-N 1 2 322.405 1.422 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN1Cc1c[nH+]cn1C ZINC000072366148 191135734 /nfs/dbraw/zinc/13/57/34/191135734.db2.gz JXAGFVSZXFWXMP-CYBMUJFWSA-N 1 2 302.382 1.182 40 0 DDABLO Cc1cc(N2CCO[C@](C)(C(=O)NC3CCCC3)C2)nc[nH+]1 ZINC000072379630 191141525 /nfs/dbraw/zinc/14/15/25/191141525.db2.gz YEBUTWQZUYKCOC-INIZCTEOSA-N 1 2 304.394 1.439 40 0 DDABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CC2)C1 ZINC000585095718 354804078 /nfs/dbraw/zinc/80/40/78/354804078.db2.gz FTISZABKWMAMFP-AWEZNQCLSA-N 1 2 304.394 1.339 40 0 DDABLO Cn1ccc(C[N@@H+]2CCC[C@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269290 354818495 /nfs/dbraw/zinc/81/84/95/354818495.db2.gz OHXPVNQFMDUVAW-QGZVFWFLSA-N 1 2 319.380 1.965 40 0 DDABLO Cn1ccc(C[N@H+]2CCC[C@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269290 354818498 /nfs/dbraw/zinc/81/84/98/354818498.db2.gz OHXPVNQFMDUVAW-QGZVFWFLSA-N 1 2 319.380 1.965 40 0 DDABLO Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)Cn2cc[nH+]c2)cc1 ZINC000585276425 354820796 /nfs/dbraw/zinc/82/07/96/354820796.db2.gz JQEHNXQQNCNBDK-IRXDYDNUSA-N 1 2 313.401 1.786 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc[nH+]1 ZINC000257269165 202999642 /nfs/dbraw/zinc/99/96/42/202999642.db2.gz MOVQCFTXDWYZOI-CQSZACIVSA-N 1 2 313.405 1.901 40 0 DDABLO CCC(=O)N1c2ccc([C@H](O)C[NH+]3CCOCC3)cc2C[C@@H]1C ZINC000019499224 182125873 /nfs/dbraw/zinc/12/58/73/182125873.db2.gz IDBPPVFYGJUNHH-SUMWQHHRSA-N 1 2 318.417 1.740 40 0 DDABLO c1ccc(OC(CN2CCOCC2)C[NH+]2CCOCC2)cc1 ZINC000019594167 182133309 /nfs/dbraw/zinc/13/33/09/182133309.db2.gz XJIRGQAJAWNEGK-UHFFFAOYSA-N 1 2 306.406 1.098 40 0 DDABLO COc1ccc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1OC ZINC000095533880 257137591 /nfs/dbraw/zinc/13/75/91/257137591.db2.gz ZBBZCIMKFOEEQS-YPMHNXCESA-N 1 2 304.350 1.722 40 0 DDABLO CCN(CC)C(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000012142781 406835864 /nfs/dbraw/zinc/83/58/64/406835864.db2.gz UIMOPFAHIIAUEY-UHFFFAOYSA-N 1 2 314.389 1.947 40 0 DDABLO CC(C)CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096225440 407253129 /nfs/dbraw/zinc/25/31/29/407253129.db2.gz QIPFOWVQPSVNNK-MRXNPFEDSA-N 1 2 305.378 1.773 40 0 DDABLO CC(C)CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096225440 407253131 /nfs/dbraw/zinc/25/31/31/407253131.db2.gz QIPFOWVQPSVNNK-MRXNPFEDSA-N 1 2 305.378 1.773 40 0 DDABLO c1nnc(N2CCC[C@@]3(C2)CN(c2cccc[nH+]2)CCO3)s1 ZINC000096226609 407253714 /nfs/dbraw/zinc/25/37/14/407253714.db2.gz QSVWDOZZGQDNTP-HNNXBMFYSA-N 1 2 317.418 1.809 40 0 DDABLO O=C(NC[C@H]1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2O1)C1CCC1 ZINC000096251657 407256409 /nfs/dbraw/zinc/25/64/09/407256409.db2.gz WTVGPJLICGGZCI-MCIONIFRSA-N 1 2 321.446 1.649 40 0 DDABLO O=C(NC[C@H]1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2O1)C1CCC1 ZINC000096251657 407256412 /nfs/dbraw/zinc/25/64/12/407256412.db2.gz WTVGPJLICGGZCI-MCIONIFRSA-N 1 2 321.446 1.649 40 0 DDABLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057674840 407216836 /nfs/dbraw/zinc/21/68/36/407216836.db2.gz ZWTRSWSGVHQEHD-UHFFFAOYSA-N 1 2 305.422 1.686 40 0 DDABLO c1snnc1C[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC000096073022 407234724 /nfs/dbraw/zinc/23/47/24/407234724.db2.gz OJPJFKOYRHSWNQ-GFCCVEGCSA-N 1 2 317.418 1.867 40 0 DDABLO CC(C)[N@H+](C)Cc1noc2c1CN(C(=O)c1cnccn1)CC2 ZINC000096084816 407235947 /nfs/dbraw/zinc/23/59/47/407235947.db2.gz OFMHOQIJNQYLOX-UHFFFAOYSA-N 1 2 315.377 1.503 40 0 DDABLO CC(C)[N@@H+](C)Cc1noc2c1CN(C(=O)c1cnccn1)CC2 ZINC000096084816 407235948 /nfs/dbraw/zinc/23/59/48/407235948.db2.gz OFMHOQIJNQYLOX-UHFFFAOYSA-N 1 2 315.377 1.503 40 0 DDABLO O=C1[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2OCCN1CC1CC1 ZINC000096107094 407238065 /nfs/dbraw/zinc/23/80/65/407238065.db2.gz HPUVXQALCMNMGV-KGLIPLIRSA-N 1 2 321.446 1.602 40 0 DDABLO O=C1[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2OCCN1CC1CC1 ZINC000096107094 407238066 /nfs/dbraw/zinc/23/80/66/407238066.db2.gz HPUVXQALCMNMGV-KGLIPLIRSA-N 1 2 321.446 1.602 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)[nH+]1 ZINC000257216460 407498826 /nfs/dbraw/zinc/49/88/26/407498826.db2.gz CUPGZGVYERGXKL-CQSZACIVSA-N 1 2 318.421 1.447 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257242606 407513216 /nfs/dbraw/zinc/51/32/16/407513216.db2.gz IDHMULPIJFIKHC-LLVKDONJSA-N 1 2 307.785 1.974 40 0 DDABLO C[NH+](C)Cc1cnc([C@H]2CN(Cc3ccncc3)CCO2)[nH]1 ZINC000257284098 407529539 /nfs/dbraw/zinc/52/95/39/407529539.db2.gz PBFUXYSSTOJJPQ-OAHLLOKOSA-N 1 2 301.394 1.440 40 0 DDABLO COc1ccc(C[N@@H+]2CCC[C@]2(C(N)=O)c2cnccn2)cc1 ZINC000257286450 407530877 /nfs/dbraw/zinc/53/08/77/407530877.db2.gz PLPUTEDEYKRMEN-QGZVFWFLSA-N 1 2 312.373 1.462 40 0 DDABLO COc1ccc(C[N@H+]2CCC[C@]2(C(N)=O)c2cnccn2)cc1 ZINC000257286450 407530884 /nfs/dbraw/zinc/53/08/84/407530884.db2.gz PLPUTEDEYKRMEN-QGZVFWFLSA-N 1 2 312.373 1.462 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1conc1-c1ccccc1 ZINC000225872554 407610631 /nfs/dbraw/zinc/61/06/31/407610631.db2.gz NXRNNIBIMAXBLK-UHFFFAOYSA-N 1 2 301.346 1.404 40 0 DDABLO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000247958939 408518810 /nfs/dbraw/zinc/51/88/10/408518810.db2.gz DSNTXMHWJRZDTD-GFCCVEGCSA-N 1 2 304.419 1.669 40 0 DDABLO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000247958939 408518813 /nfs/dbraw/zinc/51/88/13/408518813.db2.gz DSNTXMHWJRZDTD-GFCCVEGCSA-N 1 2 304.419 1.669 40 0 DDABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCCO)[nH+]cn1)C2 ZINC000328969965 410027352 /nfs/dbraw/zinc/02/73/52/410027352.db2.gz DHNAJFBREILULP-GFCCVEGCSA-N 1 2 314.389 1.497 40 0 DDABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCCO)nc[nH+]1)C2 ZINC000328969965 410027358 /nfs/dbraw/zinc/02/73/58/410027358.db2.gz DHNAJFBREILULP-GFCCVEGCSA-N 1 2 314.389 1.497 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131174171 196146421 /nfs/dbraw/zinc/14/64/21/196146421.db2.gz MQVCRQNBHQCYJI-OAHLLOKOSA-N 1 2 313.405 1.844 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000131174171 196146423 /nfs/dbraw/zinc/14/64/23/196146423.db2.gz MQVCRQNBHQCYJI-OAHLLOKOSA-N 1 2 313.405 1.844 40 0 DDABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/NC(=S)NC2=O)cc1 ZINC000408955661 418811709 /nfs/dbraw/zinc/81/17/09/418811709.db2.gz YCQGKHHHDMZPSH-GXDHUFHOSA-N 1 2 312.398 1.889 40 0 DDABLO O=C([C@@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21)N1CC(F)(F)C1 ZINC000306141213 534594690 /nfs/dbraw/zinc/59/46/90/534594690.db2.gz VONOLEKLFKJADL-ZDUSSCGKSA-N 1 2 322.315 1.511 40 0 DDABLO CCNc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000329038114 527995587 /nfs/dbraw/zinc/99/55/87/527995587.db2.gz RRFIMARXFZKCEO-UHFFFAOYSA-N 1 2 306.373 1.821 40 0 DDABLO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Cl)c1O ZINC000008091782 352130822 /nfs/dbraw/zinc/13/08/22/352130822.db2.gz RBKZASDEQVKQAK-UHFFFAOYSA-N 1 2 300.811 1.977 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2N1c1ccccc1 ZINC000213615504 354311228 /nfs/dbraw/zinc/31/12/28/354311228.db2.gz GPVLQNCPLKONCL-IRXDYDNUSA-N 1 2 309.369 1.698 40 0 DDABLO O=C1CO[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2N1c1ccccc1 ZINC000213615504 354311230 /nfs/dbraw/zinc/31/12/30/354311230.db2.gz GPVLQNCPLKONCL-IRXDYDNUSA-N 1 2 309.369 1.698 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1cc3ccccc3o1)C2 ZINC000585094800 354803367 /nfs/dbraw/zinc/80/33/67/354803367.db2.gz NJLPSBWVJUGXRK-LBPRGKRZSA-N 1 2 311.341 1.726 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1ccc3ncccc3c1)C2 ZINC000585094701 354803576 /nfs/dbraw/zinc/80/35/76/354803576.db2.gz INCHOBXGIFUDQB-AWEZNQCLSA-N 1 2 322.368 1.528 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc(OC)no1)[C@@H]2C ZINC000585097173 354805100 /nfs/dbraw/zinc/80/51/00/354805100.db2.gz GKFVYUWTPVQEDL-SNVBAGLBSA-N 1 2 320.349 1.286 40 0 DDABLO COCC(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257334260 203055730 /nfs/dbraw/zinc/05/57/30/203055730.db2.gz YFENXEBLBCPOHP-MRXNPFEDSA-N 1 2 319.405 1.224 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)[nH+]1 ZINC000257313545 203038053 /nfs/dbraw/zinc/03/80/53/203038053.db2.gz UTCBOSUUUJHABO-ZDUSSCGKSA-N 1 2 324.388 1.489 40 0 DDABLO O=c1nc2scc(C[NH+]3CCOCC3)n2c2ccccc12 ZINC000024333928 182378815 /nfs/dbraw/zinc/37/88/15/182378815.db2.gz YAVCWZODHRAMIT-UHFFFAOYSA-N 1 2 301.371 1.741 40 0 DDABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@H](Cn2cncn2)C1 ZINC000096188622 296267536 /nfs/dbraw/zinc/26/75/36/296267536.db2.gz DDIKIZNGDJDASG-LBPRGKRZSA-N 1 2 312.333 1.040 40 0 DDABLO O=S(=O)(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC000096252587 407256694 /nfs/dbraw/zinc/25/66/94/407256694.db2.gz NAOPJVXHNZNQAO-GASCZTMLSA-N 1 2 324.421 1.967 40 0 DDABLO O=S(=O)(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC000096252587 407256697 /nfs/dbraw/zinc/25/66/97/407256697.db2.gz NAOPJVXHNZNQAO-GASCZTMLSA-N 1 2 324.421 1.967 40 0 DDABLO Cn1cc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)cn1 ZINC000096044896 407226528 /nfs/dbraw/zinc/22/65/28/407226528.db2.gz JEHPIVJWRARQMF-HNNXBMFYSA-N 1 2 315.421 1.680 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)cn1 ZINC000096044896 407226530 /nfs/dbraw/zinc/22/65/30/407226530.db2.gz JEHPIVJWRARQMF-HNNXBMFYSA-N 1 2 315.421 1.680 40 0 DDABLO COc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)cc1 ZINC000096061828 407232057 /nfs/dbraw/zinc/23/20/57/407232057.db2.gz IWGQJAIBWJGAML-UHFFFAOYSA-N 1 2 324.388 1.547 40 0 DDABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cc(C)on2)C1 ZINC000096187811 407246069 /nfs/dbraw/zinc/24/60/69/407246069.db2.gz IMEIQRHHKHFUIG-LBPRGKRZSA-N 1 2 304.350 1.488 40 0 DDABLO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)s3)C[C@@H]21 ZINC000108534992 407387396 /nfs/dbraw/zinc/38/73/96/407387396.db2.gz UKRDJLUHRKKXLZ-KBPBESRZSA-N 1 2 324.446 1.618 40 0 DDABLO COCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)s3)C[C@@H]21 ZINC000108534992 407387398 /nfs/dbraw/zinc/38/73/98/407387398.db2.gz UKRDJLUHRKKXLZ-KBPBESRZSA-N 1 2 324.446 1.618 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CN2CCCC2=O)cc[nH+]1 ZINC000257201640 407491552 /nfs/dbraw/zinc/49/15/52/407491552.db2.gz AIKQEVOIFMUWKA-AWEZNQCLSA-N 1 2 316.405 1.434 40 0 DDABLO Cn1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 ZINC000257210117 407496674 /nfs/dbraw/zinc/49/66/74/407496674.db2.gz BTFPYTDDLWAIIH-IAGOWNOFSA-N 1 2 301.390 1.824 40 0 DDABLO Cn1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)n1 ZINC000257210117 407496677 /nfs/dbraw/zinc/49/66/77/407496677.db2.gz BTFPYTDDLWAIIH-IAGOWNOFSA-N 1 2 301.390 1.824 40 0 DDABLO CNc1ncccc1C[N@@H+]1CCO[C@H](c2nc(C)cn2C)C1 ZINC000257220281 407499663 /nfs/dbraw/zinc/49/96/63/407499663.db2.gz DKGCEMSWNIOIAU-AWEZNQCLSA-N 1 2 301.394 1.739 40 0 DDABLO CNc1ncccc1C[N@H+]1CCO[C@H](c2nc(C)cn2C)C1 ZINC000257220281 407499669 /nfs/dbraw/zinc/49/96/69/407499669.db2.gz DKGCEMSWNIOIAU-AWEZNQCLSA-N 1 2 301.394 1.739 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257216907 407500072 /nfs/dbraw/zinc/50/00/72/407500072.db2.gz CWQCRVURQNJJFB-ZDUSSCGKSA-N 1 2 315.377 1.565 40 0 DDABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(C)nc(=O)[nH]2)cc[nH+]1 ZINC000257218573 407500229 /nfs/dbraw/zinc/50/02/29/407500229.db2.gz DDPMUCGCFWHMLN-CYBMUJFWSA-N 1 2 313.361 1.905 40 0 DDABLO Cc1ocnc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257221246 407502813 /nfs/dbraw/zinc/50/28/13/407502813.db2.gz DOCMFAUSBJTOMJ-INIZCTEOSA-N 1 2 316.361 1.139 40 0 DDABLO Cn1nccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257227422 407506564 /nfs/dbraw/zinc/50/65/64/407506564.db2.gz FPETULHBGTZMCI-AWEZNQCLSA-N 1 2 312.377 1.896 40 0 DDABLO Cn1nccc1C[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257227422 407506567 /nfs/dbraw/zinc/50/65/67/407506567.db2.gz FPETULHBGTZMCI-AWEZNQCLSA-N 1 2 312.377 1.896 40 0 DDABLO COCCN1C(=O)CO[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC000257228248 407508064 /nfs/dbraw/zinc/50/80/64/407508064.db2.gz FTBSTOVNTFEJAJ-GJZGRUSLSA-N 1 2 324.808 1.398 40 0 DDABLO COCCN1C(=O)CO[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC000257228248 407508065 /nfs/dbraw/zinc/50/80/65/407508065.db2.gz FTBSTOVNTFEJAJ-GJZGRUSLSA-N 1 2 324.808 1.398 40 0 DDABLO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC)c1ccc(OC)cc1 ZINC000225401368 407579765 /nfs/dbraw/zinc/57/97/65/407579765.db2.gz DGNBUUSAQBMSAY-LSDHHAIUSA-N 1 2 319.405 1.083 40 0 biogenic,in-vitro DDABLO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC)c1ccc(OC)cc1 ZINC000225401368 407579772 /nfs/dbraw/zinc/57/97/72/407579772.db2.gz DGNBUUSAQBMSAY-LSDHHAIUSA-N 1 2 319.405 1.083 40 0 biogenic,in-vitro DDABLO Cn1cccc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257261767 407526738 /nfs/dbraw/zinc/52/67/38/407526738.db2.gz LISDMBBPUDIXSD-QGZVFWFLSA-N 1 2 314.389 1.181 40 0 DDABLO C[C@@H](CCS(C)(=O)=O)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000132198310 407775074 /nfs/dbraw/zinc/77/50/74/407775074.db2.gz UDXJSTOLYLJYTJ-LBPRGKRZSA-N 1 2 312.439 1.702 40 0 DDABLO C[C@@H](CCS(C)(=O)=O)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000132198310 407775081 /nfs/dbraw/zinc/77/50/81/407775081.db2.gz UDXJSTOLYLJYTJ-LBPRGKRZSA-N 1 2 312.439 1.702 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCN2CCCC2=O)cn1 ZINC000248163797 408540172 /nfs/dbraw/zinc/54/01/72/408540172.db2.gz YXRZDZRBSYRULM-OAHLLOKOSA-N 1 2 318.421 1.024 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc(C)nc2C)[nH+]1 ZINC000257306230 301024744 /nfs/dbraw/zinc/02/47/44/301024744.db2.gz STJQXJXTQMAWAF-ZDUSSCGKSA-N 1 2 301.350 1.339 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3[nH]cnc3c2)[nH+]1 ZINC000257300888 301025413 /nfs/dbraw/zinc/02/54/13/301025413.db2.gz RWBAHJJFGUHOJS-CQSZACIVSA-N 1 2 311.345 1.808 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000072366146 191136127 /nfs/dbraw/zinc/13/61/27/191136127.db2.gz LULRMZWFSPQDCG-GFCCVEGCSA-N 1 2 302.382 1.182 40 0 DDABLO Cc1nc(N2CCC[C@@](C)(C(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000072381140 191143081 /nfs/dbraw/zinc/14/30/81/191143081.db2.gz FCKJNQYHGBHHSW-MRXNPFEDSA-N 1 2 304.394 1.250 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC000072383581 191143916 /nfs/dbraw/zinc/14/39/16/191143916.db2.gz HFIDJWKTOSVYNT-LBPRGKRZSA-N 1 2 312.377 1.198 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC000072383581 191143917 /nfs/dbraw/zinc/14/39/17/191143917.db2.gz HFIDJWKTOSVYNT-LBPRGKRZSA-N 1 2 312.377 1.198 40 0 DDABLO C[C@]12C[N@H+](Cc3ccccn3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395017 191149933 /nfs/dbraw/zinc/14/99/33/191149933.db2.gz HAUCPODUSMIVPD-APWZRJJASA-N 1 2 321.380 1.898 40 0 DDABLO C[C@]12C[N@@H+](Cc3ccccn3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395017 191149936 /nfs/dbraw/zinc/14/99/36/191149936.db2.gz HAUCPODUSMIVPD-APWZRJJASA-N 1 2 321.380 1.898 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc(OC)no1)[C@H]2C ZINC000585097171 354804752 /nfs/dbraw/zinc/80/47/52/354804752.db2.gz GKFVYUWTPVQEDL-JTQLQIEISA-N 1 2 320.349 1.286 40 0 DDABLO O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2cc[nH]n2)C1 ZINC000585269234 354818637 /nfs/dbraw/zinc/81/86/37/354818637.db2.gz MESWIMHDVXCSHW-MRXNPFEDSA-N 1 2 321.352 1.191 40 0 DDABLO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585269234 354818638 /nfs/dbraw/zinc/81/86/38/354818638.db2.gz MESWIMHDVXCSHW-MRXNPFEDSA-N 1 2 321.352 1.191 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)[nH+]1 ZINC000257287509 203013669 /nfs/dbraw/zinc/01/36/69/203013669.db2.gz PQGSAQSNPBTJBM-ZDUSSCGKSA-N 1 2 314.389 1.447 40 0 DDABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)cc[nH+]1 ZINC000257319379 203043720 /nfs/dbraw/zinc/04/37/20/203043720.db2.gz VSDRSSRTZUDEDB-GFCCVEGCSA-N 1 2 321.406 1.415 40 0 DDABLO COc1ccc(CC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257320617 203045051 /nfs/dbraw/zinc/04/50/51/203045051.db2.gz VXORQAMBMKOYFJ-OAHLLOKOSA-N 1 2 315.373 1.869 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)[nH+]1 ZINC000257320625 203045147 /nfs/dbraw/zinc/04/51/47/203045147.db2.gz VXPFFZJCMFEPSZ-OAHLLOKOSA-N 1 2 324.388 1.837 40 0 DDABLO Cc1cc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257328399 203050160 /nfs/dbraw/zinc/05/01/60/203050160.db2.gz XFLMXZUFUSXZFO-INIZCTEOSA-N 1 2 316.361 1.139 40 0 DDABLO O=C(O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)ccc2c1=O ZINC000003617733 406718798 /nfs/dbraw/zinc/71/87/98/406718798.db2.gz IWQJEAWVHIBCDP-UHFFFAOYSA-N 1 2 313.357 1.444 40 0 in-vitro DDABLO COc1ccc([C@H](NC(=O)c2cncnc2)c2[nH+]ccn2C)cc1 ZINC000012114930 406836186 /nfs/dbraw/zinc/83/61/86/406836186.db2.gz GNZLPUJOTHPGSQ-HNNXBMFYSA-N 1 2 323.356 1.738 40 0 DDABLO CCOCC(=O)N1CC[C@]2(CC[N@@H+]2Cc2csc(C)n2)C1 ZINC000096228680 407254357 /nfs/dbraw/zinc/25/43/57/407254357.db2.gz KNGGMWOCUHJHJR-HNNXBMFYSA-N 1 2 309.435 1.665 40 0 DDABLO CCOCC(=O)N1CC[C@]2(CC[N@H+]2Cc2csc(C)n2)C1 ZINC000096228680 407254358 /nfs/dbraw/zinc/25/43/58/407254358.db2.gz KNGGMWOCUHJHJR-HNNXBMFYSA-N 1 2 309.435 1.665 40 0 DDABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cc(C)on2)C1 ZINC000096187810 407246092 /nfs/dbraw/zinc/24/60/92/407246092.db2.gz IMEIQRHHKHFUIG-GFCCVEGCSA-N 1 2 304.350 1.488 40 0 DDABLO COCC(=O)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198951 407247714 /nfs/dbraw/zinc/24/77/14/407247714.db2.gz PDXGJSVPWOJODW-UHFFFAOYSA-N 1 2 312.373 1.472 40 0 DDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)n[nH]1 ZINC000108530957 407387587 /nfs/dbraw/zinc/38/75/87/407387587.db2.gz PIQCPOZSSKAKRD-GJZGRUSLSA-N 1 2 304.394 1.043 40 0 DDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)n[nH]1 ZINC000108530957 407387588 /nfs/dbraw/zinc/38/75/88/407387588.db2.gz PIQCPOZSSKAKRD-GJZGRUSLSA-N 1 2 304.394 1.043 40 0 DDABLO CC(=O)N1CCC[C@@H](Cc2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257246768 407518025 /nfs/dbraw/zinc/51/80/25/407518025.db2.gz IVTQKIOPYFZJNQ-AWEZNQCLSA-N 1 2 313.405 1.987 40 0 DDABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)[nH+]1 ZINC000257330977 407534546 /nfs/dbraw/zinc/53/45/46/407534546.db2.gz XQWAPRDASMYMDW-LBPRGKRZSA-N 1 2 310.361 1.479 40 0 DDABLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1CCCO1)C2 ZINC000096084753 279385001 /nfs/dbraw/zinc/38/50/01/279385001.db2.gz BIYCFBIXGWCZGB-CYBMUJFWSA-N 1 2 321.425 1.030 40 0 DDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1CCCO1)C2 ZINC000096084753 279385003 /nfs/dbraw/zinc/38/50/03/279385003.db2.gz BIYCFBIXGWCZGB-CYBMUJFWSA-N 1 2 321.425 1.030 40 0 DDABLO S=C(NC[C@@H]1CCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225226236 539265999 /nfs/dbraw/zinc/26/59/99/539265999.db2.gz SQKPHCITODRTSO-HNNXBMFYSA-N 1 2 320.462 1.253 40 0 DDABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072379160 191140846 /nfs/dbraw/zinc/14/08/46/191140846.db2.gz YAWHTSGXQDZXGW-ZDUSSCGKSA-N 1 2 320.418 1.926 40 0 DDABLO CNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2cc(C)on2)C1 ZINC000585099117 354806828 /nfs/dbraw/zinc/80/68/28/354806828.db2.gz NFIQXDPYQZKUHP-CYBMUJFWSA-N 1 2 302.378 1.553 40 0 DDABLO CNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2cc(C)on2)C1 ZINC000585099117 354806834 /nfs/dbraw/zinc/80/68/34/354806834.db2.gz NFIQXDPYQZKUHP-CYBMUJFWSA-N 1 2 302.378 1.553 40 0 DDABLO Cc1cccc(OC[C@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000585275866 354819530 /nfs/dbraw/zinc/81/95/30/354819530.db2.gz FZFAENGLQUVUIG-KRWDZBQOSA-N 1 2 315.373 1.303 40 0 DDABLO Cc1cc(N2CCO[C@](CO)(Cc3ccccc3F)C2)nc[nH+]1 ZINC000585277770 354821343 /nfs/dbraw/zinc/82/13/43/354821343.db2.gz XTVITIVYLNOTMD-QGZVFWFLSA-N 1 2 317.364 1.735 40 0 DDABLO Cc1ccnn1CCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257275197 203004941 /nfs/dbraw/zinc/00/49/41/203004941.db2.gz NOIDSCLXDNZGNQ-IIAWOOMASA-N 1 2 317.393 1.001 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)[nH+]1 ZINC000257308542 203031745 /nfs/dbraw/zinc/03/17/45/203031745.db2.gz TXDOWOWVXDKZNZ-AWEZNQCLSA-N 1 2 315.421 1.801 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)[nH+]1 ZINC000257307706 203032559 /nfs/dbraw/zinc/03/25/59/203032559.db2.gz SZXCRPGASDFKKX-AWEZNQCLSA-N 1 2 318.421 1.827 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)CCc2ccnn2C)[nH+]1 ZINC000257318738 203043435 /nfs/dbraw/zinc/04/34/35/203043435.db2.gz VPEHJYFKOMGPMI-CQSZACIVSA-N 1 2 301.394 1.758 40 0 DDABLO OCCNc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329001446 257231276 /nfs/dbraw/zinc/23/12/76/257231276.db2.gz KEIJZQUPHPUXTB-UHFFFAOYSA-N 1 2 324.306 1.763 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)CNC(=O)CN3CC2CC2)cs1 ZINC000096238271 407255092 /nfs/dbraw/zinc/25/50/92/407255092.db2.gz HEJCUKGMJWLCGS-MRXNPFEDSA-N 1 2 320.462 1.238 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@]3(C2)CNC(=O)CN3CC2CC2)cs1 ZINC000096238271 407255094 /nfs/dbraw/zinc/25/50/94/407255094.db2.gz HEJCUKGMJWLCGS-MRXNPFEDSA-N 1 2 320.462 1.238 40 0 DDABLO Cc1nc(CN2CC[C@]3(C2)CNC(=O)C[N@@H+]3CC2CC2)cs1 ZINC000096238271 407255096 /nfs/dbraw/zinc/25/50/96/407255096.db2.gz HEJCUKGMJWLCGS-MRXNPFEDSA-N 1 2 320.462 1.238 40 0 DDABLO Cc1nc(CN2CC[C@]3(C2)CNC(=O)C[N@H+]3CC2CC2)cs1 ZINC000096238271 407255099 /nfs/dbraw/zinc/25/50/99/407255099.db2.gz HEJCUKGMJWLCGS-MRXNPFEDSA-N 1 2 320.462 1.238 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)N1CCCC1 ZINC000096062080 407231958 /nfs/dbraw/zinc/23/19/58/407231958.db2.gz HETOFARATXTWHO-CYBMUJFWSA-N 1 2 314.393 1.720 40 0 DDABLO O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096072656 407235174 /nfs/dbraw/zinc/23/51/74/407235174.db2.gz GLGDVZQIQRDVMO-DOMZBBRYSA-N 1 2 323.418 1.219 40 0 DDABLO CCN1CCn2c(C)c[nH+]c2C12CCN(c1ncccn1)CC2 ZINC000096145021 407240514 /nfs/dbraw/zinc/24/05/14/407240514.db2.gz CQIWXJSIEJIOKD-UHFFFAOYSA-N 1 2 312.421 1.813 40 0 DDABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(c1ncccn1)CC2 ZINC000096145021 407240516 /nfs/dbraw/zinc/24/05/16/407240516.db2.gz CQIWXJSIEJIOKD-UHFFFAOYSA-N 1 2 312.421 1.813 40 0 DDABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(c1ncccn1)CC2 ZINC000096145021 407240517 /nfs/dbraw/zinc/24/05/17/407240517.db2.gz CQIWXJSIEJIOKD-UHFFFAOYSA-N 1 2 312.421 1.813 40 0 DDABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC000257238054 407510587 /nfs/dbraw/zinc/51/05/87/407510587.db2.gz HJJLLNTXPRFLCQ-JTQLQIEISA-N 1 2 319.394 1.002 40 0 DDABLO CC(=O)N[C@H]1CCOC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000257242402 407513429 /nfs/dbraw/zinc/51/34/29/407513429.db2.gz ICHUYMKWNCUAMT-AWEZNQCLSA-N 1 2 304.394 1.439 40 0 DDABLO Cn1cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1=O ZINC000130715278 196103721 /nfs/dbraw/zinc/10/37/21/196103721.db2.gz IRWKDRJRECXCQH-CQSZACIVSA-N 1 2 312.373 1.179 40 0 DDABLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)c1ccco1)C2 ZINC000096259623 279384758 /nfs/dbraw/zinc/38/47/58/279384758.db2.gz UWGJBCIJICMNPA-UHFFFAOYSA-N 1 2 317.393 1.757 40 0 DDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)c1ccco1)C2 ZINC000096259623 279384762 /nfs/dbraw/zinc/38/47/62/279384762.db2.gz UWGJBCIJICMNPA-UHFFFAOYSA-N 1 2 317.393 1.757 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccccc2)[nH+]1 ZINC000257206469 301025786 /nfs/dbraw/zinc/02/57/86/301025786.db2.gz BDPIPBPINVDJOV-CYBMUJFWSA-N 1 2 307.375 1.480 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH+]1 ZINC000257293778 302317773 /nfs/dbraw/zinc/31/77/73/302317773.db2.gz QRDYNZUDDRWPTG-GFCCVEGCSA-N 1 2 323.422 1.296 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cnc(C)cn1)[C@H]2C ZINC000585096984 354804865 /nfs/dbraw/zinc/80/48/65/354804865.db2.gz DCNXZGNFDXYQOU-LBPRGKRZSA-N 1 2 315.377 1.387 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000257295177 203021693 /nfs/dbraw/zinc/02/16/93/203021693.db2.gz QXGYXDSSPDEIDF-ZDUSSCGKSA-N 1 2 302.382 1.134 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000257295177 203021694 /nfs/dbraw/zinc/02/16/94/203021694.db2.gz QXGYXDSSPDEIDF-ZDUSSCGKSA-N 1 2 302.382 1.134 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1c[nH+]c[nH]1 ZINC000257304671 203029316 /nfs/dbraw/zinc/02/93/16/203029316.db2.gz SMQZYABIPMCTGN-INIZCTEOSA-N 1 2 314.389 1.824 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1c[nH]c[nH+]1 ZINC000257304671 203029320 /nfs/dbraw/zinc/02/93/20/203029320.db2.gz SMQZYABIPMCTGN-INIZCTEOSA-N 1 2 314.389 1.824 40 0 DDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cnco1 ZINC000257311516 203035738 /nfs/dbraw/zinc/03/57/38/203035738.db2.gz UJWKOPVSQVMEPX-INIZCTEOSA-N 1 2 316.361 1.173 40 0 DDABLO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3cn(C)cn3)C2)ncn1 ZINC000257279929 203008131 /nfs/dbraw/zinc/00/81/31/203008131.db2.gz OITSONWWKLUEHL-AWEZNQCLSA-N 1 2 301.394 1.210 40 0 DDABLO Cc1cc(C[C@@H]2COCC[N@H+](Cc3cn(C)cn3)C2)ncn1 ZINC000257279929 203008134 /nfs/dbraw/zinc/00/81/34/203008134.db2.gz OITSONWWKLUEHL-AWEZNQCLSA-N 1 2 301.394 1.210 40 0 DDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)[nH+]1 ZINC000257330976 203054180 /nfs/dbraw/zinc/05/41/80/203054180.db2.gz XQWAPRDASMYMDW-GFCCVEGCSA-N 1 2 310.361 1.479 40 0 DDABLO Cc1ncoc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257337173 203057556 /nfs/dbraw/zinc/05/75/56/203057556.db2.gz YRSOLFRBQDHCJX-MRXNPFEDSA-N 1 2 316.361 1.139 40 0 DDABLO COc1ccc(CC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257320616 203044493 /nfs/dbraw/zinc/04/44/93/203044493.db2.gz VXORQAMBMKOYFJ-HNNXBMFYSA-N 1 2 315.373 1.869 40 0 DDABLO COc1cccc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000020034832 182182085 /nfs/dbraw/zinc/18/20/85/182182085.db2.gz XWRVCKBPAHQXMY-ZDUSSCGKSA-N 1 2 303.362 1.866 40 0 DDABLO O=S(=O)(C1CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038678662 183006483 /nfs/dbraw/zinc/00/64/83/183006483.db2.gz JPBVSVYXXFSLPG-QPJJXVBHSA-N 1 2 306.431 1.810 40 0 DDABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1OC ZINC000095533787 257137212 /nfs/dbraw/zinc/13/72/12/257137212.db2.gz RKQVVCUYZDSLHV-CQSZACIVSA-N 1 2 311.345 1.932 40 0 DDABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1OC ZINC000095533787 257137214 /nfs/dbraw/zinc/13/72/14/257137214.db2.gz RKQVVCUYZDSLHV-CQSZACIVSA-N 1 2 311.345 1.932 40 0 DDABLO Cc1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F ZINC000026505295 406904743 /nfs/dbraw/zinc/90/47/43/406904743.db2.gz GVOQARWMFYFMJD-QWRGUYRKSA-N 1 2 300.380 1.788 40 0 DDABLO O=C([C@H]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]1O2)N1CCCC1 ZINC000096253167 407256706 /nfs/dbraw/zinc/25/67/06/407256706.db2.gz IZFQTYKRURHVRM-OWCLPIDISA-N 1 2 301.390 1.293 40 0 DDABLO O=C([C@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]1O2)N1CCCC1 ZINC000096253167 407256709 /nfs/dbraw/zinc/25/67/09/407256709.db2.gz IZFQTYKRURHVRM-OWCLPIDISA-N 1 2 301.390 1.293 40 0 DDABLO COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096044756 407226377 /nfs/dbraw/zinc/22/63/77/407226377.db2.gz PQZKKFDAICGNJQ-ZDUSSCGKSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044756 407226378 /nfs/dbraw/zinc/22/63/78/407226378.db2.gz PQZKKFDAICGNJQ-ZDUSSCGKSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044756 407226379 /nfs/dbraw/zinc/22/63/79/407226379.db2.gz PQZKKFDAICGNJQ-ZDUSSCGKSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@@H]1CN(C(=O)Cc2cccc(F)c2)Cc2[nH+]cn(C)c21 ZINC000096044760 407226588 /nfs/dbraw/zinc/22/65/88/407226588.db2.gz FWPGCHDULAGUNZ-ZDUSSCGKSA-N 1 2 317.364 1.874 40 0 DDABLO O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096048585 407227160 /nfs/dbraw/zinc/22/71/60/407227160.db2.gz LQOHZPPQJKHWBY-RHSMWYFYSA-N 1 2 312.373 1.915 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C3CC3)nc2)[nH+]1 ZINC000257234687 407509012 /nfs/dbraw/zinc/50/90/12/407509012.db2.gz GUQRKDLDJHYMMI-CYBMUJFWSA-N 1 2 313.361 1.599 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)[nH+]1 ZINC000257221323 407504274 /nfs/dbraw/zinc/50/42/74/407504274.db2.gz DOLYVDXRLZVDFO-GFCCVEGCSA-N 1 2 300.362 1.849 40 0 DDABLO CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257228583 407507430 /nfs/dbraw/zinc/50/74/30/407507430.db2.gz FUKOBIDDOSMMQW-BFYDXBDKSA-N 1 2 317.364 1.788 40 0 DDABLO Cn1cnc(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257242757 407514522 /nfs/dbraw/zinc/51/45/22/407514522.db2.gz IDZVQQIHJBGVRR-IRXDYDNUSA-N 1 2 301.390 1.824 40 0 DDABLO Cn1cnc(C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257242757 407514528 /nfs/dbraw/zinc/51/45/28/407514528.db2.gz IDZVQQIHJBGVRR-IRXDYDNUSA-N 1 2 301.390 1.824 40 0 DDABLO Cc1cnccc1C[N@@H+]1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257253957 407519506 /nfs/dbraw/zinc/51/95/06/407519506.db2.gz KBABUFOKBPRNNB-HNNXBMFYSA-N 1 2 300.362 1.768 40 0 DDABLO Cc1cnccc1C[N@H+]1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257253957 407519511 /nfs/dbraw/zinc/51/95/11/407519511.db2.gz KBABUFOKBPRNNB-HNNXBMFYSA-N 1 2 300.362 1.768 40 0 DDABLO CCc1cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)no1 ZINC000257255726 407524242 /nfs/dbraw/zinc/52/42/42/407524242.db2.gz KIQMBGQZOXNALP-KBPBESRZSA-N 1 2 304.350 1.272 40 0 DDABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ccncn3)C2)cs1 ZINC000257333620 407532844 /nfs/dbraw/zinc/53/28/44/407532844.db2.gz YCHUKXVSFZEBJP-CYBMUJFWSA-N 1 2 304.419 1.933 40 0 DDABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ccncn3)C2)cs1 ZINC000257333620 407532847 /nfs/dbraw/zinc/53/28/47/407532847.db2.gz YCHUKXVSFZEBJP-CYBMUJFWSA-N 1 2 304.419 1.933 40 0 DDABLO O=S(=O)(NCC[C@H]1C[N@H+](CC2CC2)Cc2ccnn21)C1CC1 ZINC000247327128 408452481 /nfs/dbraw/zinc/45/24/81/408452481.db2.gz NPAJKBHUTJZHTP-AWEZNQCLSA-N 1 2 324.450 1.122 40 0 DDABLO O=S(=O)(NCC[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21)C1CC1 ZINC000247327128 408452489 /nfs/dbraw/zinc/45/24/89/408452489.db2.gz NPAJKBHUTJZHTP-AWEZNQCLSA-N 1 2 324.450 1.122 40 0 DDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1c3ccccc3C[C@H]1O)C2 ZINC000165121054 408807430 /nfs/dbraw/zinc/80/74/30/408807430.db2.gz DIGRAPIHZGZSEK-VUCTXSBTSA-N 1 2 311.385 1.598 40 0 DDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1c3ccccc3C[C@H]1O)CC2 ZINC000165121054 408807432 /nfs/dbraw/zinc/80/74/32/408807432.db2.gz DIGRAPIHZGZSEK-VUCTXSBTSA-N 1 2 311.385 1.598 40 0 DDABLO CC[N@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575420162 422295225 /nfs/dbraw/zinc/29/52/25/422295225.db2.gz GNIJMJZLNOWBTN-QWHCGFSZSA-N 1 2 303.811 1.320 40 0 DDABLO CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575420162 422295230 /nfs/dbraw/zinc/29/52/30/422295230.db2.gz GNIJMJZLNOWBTN-QWHCGFSZSA-N 1 2 303.811 1.320 40 0 DDABLO Cc1cc(N2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)nc[nH+]1 ZINC000072364098 191133250 /nfs/dbraw/zinc/13/32/50/191133250.db2.gz WCJHVQKFOFFZKO-LLVKDONJSA-N 1 2 321.406 1.296 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746809 352170043 /nfs/dbraw/zinc/17/00/43/352170043.db2.gz VGJFINJUBKHOTG-INIZCTEOSA-N 1 2 306.410 1.070 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746809 352170045 /nfs/dbraw/zinc/17/00/45/352170045.db2.gz VGJFINJUBKHOTG-INIZCTEOSA-N 1 2 306.410 1.070 40 0 DDABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2ccccc2F)CCO1 ZINC000585276990 354820513 /nfs/dbraw/zinc/82/05/13/354820513.db2.gz TWYKARFSJOJKNW-KRWDZBQOSA-N 1 2 324.396 1.521 40 0 DDABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000585276990 354820517 /nfs/dbraw/zinc/82/05/17/354820517.db2.gz TWYKARFSJOJKNW-KRWDZBQOSA-N 1 2 324.396 1.521 40 0 DDABLO C[C@]1(C(N)=O)C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257274844 203004095 /nfs/dbraw/zinc/00/40/95/203004095.db2.gz NMWJOEBJXUEUCU-CQSZACIVSA-N 1 2 306.391 1.214 40 0 DDABLO C[C@]1(C(N)=O)C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257274844 203004098 /nfs/dbraw/zinc/00/40/98/203004098.db2.gz NMWJOEBJXUEUCU-CQSZACIVSA-N 1 2 306.391 1.214 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2[nH]cnc2C)n1 ZINC000257276575 203004784 /nfs/dbraw/zinc/00/47/84/203004784.db2.gz NUIQXALDDNTHET-MRXNPFEDSA-N 1 2 314.393 1.481 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2[nH]cnc2C)n1 ZINC000257276575 203004786 /nfs/dbraw/zinc/00/47/86/203004786.db2.gz NUIQXALDDNTHET-MRXNPFEDSA-N 1 2 314.393 1.481 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257309755 203034253 /nfs/dbraw/zinc/03/42/53/203034253.db2.gz UCGREYLYOWQJGH-GFCCVEGCSA-N 1 2 323.393 1.942 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000257309755 203034257 /nfs/dbraw/zinc/03/42/57/203034257.db2.gz UCGREYLYOWQJGH-GFCCVEGCSA-N 1 2 323.393 1.942 40 0 DDABLO Cc1cccnc1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257280602 203009252 /nfs/dbraw/zinc/00/92/52/203009252.db2.gz OLNOMRDFYKLWTL-OAHLLOKOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cccnc1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257280602 203009255 /nfs/dbraw/zinc/00/92/55/203009255.db2.gz OLNOMRDFYKLWTL-OAHLLOKOSA-N 1 2 314.389 1.719 40 0 DDABLO Cn1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)n1 ZINC000257282789 203009880 /nfs/dbraw/zinc/00/98/80/203009880.db2.gz OVHSWUUXVGTJEA-IRXDYDNUSA-N 1 2 301.390 1.824 40 0 DDABLO Cn1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)n1 ZINC000257282789 203009883 /nfs/dbraw/zinc/00/98/83/203009883.db2.gz OVHSWUUXVGTJEA-IRXDYDNUSA-N 1 2 301.390 1.824 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257291040 203017182 /nfs/dbraw/zinc/01/71/82/203017182.db2.gz QFIIYKCPOJFDON-CQSZACIVSA-N 1 2 303.366 1.047 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257291040 203017184 /nfs/dbraw/zinc/01/71/84/203017184.db2.gz QFIIYKCPOJFDON-CQSZACIVSA-N 1 2 303.366 1.047 40 0 DDABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257328304 203051128 /nfs/dbraw/zinc/05/11/28/203051128.db2.gz XFBXCVLRLIKABH-YJBOKZPZSA-N 1 2 318.417 1.858 40 0 DDABLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257328304 203051131 /nfs/dbraw/zinc/05/11/31/203051131.db2.gz XFBXCVLRLIKABH-YJBOKZPZSA-N 1 2 318.417 1.858 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cnccn2)CC[N@@H+]1C ZINC000257341350 203062964 /nfs/dbraw/zinc/06/29/64/203062964.db2.gz ZJYZUQJWFCAHHP-HNNXBMFYSA-N 1 2 312.373 1.614 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cnccn2)CC[N@H+]1C ZINC000257341350 203062969 /nfs/dbraw/zinc/06/29/69/203062969.db2.gz ZJYZUQJWFCAHHP-HNNXBMFYSA-N 1 2 312.373 1.614 40 0 DDABLO C[NH+]1CCN(C2=C(Cl)C(=O)N(c3ccccc3)C2=O)CC1 ZINC000019789628 182149146 /nfs/dbraw/zinc/14/91/46/182149146.db2.gz AZBGJYLUIARQRV-UHFFFAOYSA-N 1 2 305.765 1.258 40 0 DDABLO O=C(NC1CC1)N1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219098 256553864 /nfs/dbraw/zinc/55/38/64/256553864.db2.gz KXSBFXDTVSURNO-CZUORRHYSA-N 1 2 302.378 1.599 40 0 DDABLO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223683 257123068 /nfs/dbraw/zinc/12/30/68/257123068.db2.gz WRNPIBRRXXHYEI-GOSISDBHSA-N 1 2 311.385 1.750 40 0 DDABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccncc2F)C1 ZINC000096066815 286181237 /nfs/dbraw/zinc/18/12/37/286181237.db2.gz XRICXFSRPOKSRY-LBPRGKRZSA-N 1 2 318.352 1.726 40 0 DDABLO COc1cc2c(cc1OC)C(=O)[C@H](C[NH+]1CCOCC1)CC2 ZINC000019204613 286257784 /nfs/dbraw/zinc/25/77/84/286257784.db2.gz ACRBJSXDXIFWNE-ZDUSSCGKSA-N 1 2 305.374 1.781 40 0 DDABLO CCc1c(O)c2c(sc1=O)=[NH+]C(C)(C)CC=2NCC(C)C ZINC000001588839 406672943 /nfs/dbraw/zinc/67/29/43/406672943.db2.gz MEEKBTYLVOKWDF-UHFFFAOYSA-N 1 2 308.447 1.532 40 0 DDABLO O=C(CC1CCCC1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCO1 ZINC000096246505 407256108 /nfs/dbraw/zinc/25/61/08/407256108.db2.gz NVVOWUOJXMESTH-BBWFWOEESA-N 1 2 322.449 1.657 40 0 DDABLO O=C(CC1CCCC1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCO1 ZINC000096246505 407256111 /nfs/dbraw/zinc/25/61/11/407256111.db2.gz NVVOWUOJXMESTH-BBWFWOEESA-N 1 2 322.449 1.657 40 0 DDABLO CCn1nc(C)cc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COC)C1 ZINC000096044806 407226020 /nfs/dbraw/zinc/22/60/20/407226020.db2.gz JXDXOZXZLKYQCC-LBPRGKRZSA-N 1 2 317.393 1.331 40 0 DDABLO COC[C@H]1C[N@H+](Cc2cccnc2OC)Cc2cn(C)nc21 ZINC000096197968 407247528 /nfs/dbraw/zinc/24/75/28/407247528.db2.gz LKKCYUXBUMEEBH-CQSZACIVSA-N 1 2 302.378 1.570 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2cccnc2OC)Cc2cn(C)nc21 ZINC000096197968 407247531 /nfs/dbraw/zinc/24/75/31/407247531.db2.gz LKKCYUXBUMEEBH-CQSZACIVSA-N 1 2 302.378 1.570 40 0 DDABLO C[N@@H+](Cc1cn2c(n1)CN(c1ncccn1)CC2)Cc1ccco1 ZINC000096197472 407247923 /nfs/dbraw/zinc/24/79/23/407247923.db2.gz NLPVSEXVHSSFIY-UHFFFAOYSA-N 1 2 324.388 1.918 40 0 DDABLO C[N@H+](Cc1cn2c(n1)CN(c1ncccn1)CC2)Cc1ccco1 ZINC000096197472 407247925 /nfs/dbraw/zinc/24/79/25/407247925.db2.gz NLPVSEXVHSSFIY-UHFFFAOYSA-N 1 2 324.388 1.918 40 0 DDABLO CCS(=O)(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096202685 407250031 /nfs/dbraw/zinc/25/00/31/407250031.db2.gz BDCMYOACMWPHSP-UHFFFAOYSA-N 1 2 312.410 1.683 40 0 DDABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2nccnc2NC)C1 ZINC000257235587 407509892 /nfs/dbraw/zinc/50/98/92/407509892.db2.gz GYMJKGFTFRDRGM-CYBMUJFWSA-N 1 2 316.409 1.698 40 0 DDABLO O=C(Cn1cc[nH+]c1)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257234909 407511203 /nfs/dbraw/zinc/51/12/03/407511203.db2.gz GVOMTZMVMJDLOH-CYBMUJFWSA-N 1 2 301.350 1.231 40 0 DDABLO CCCOC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000225497145 407591119 /nfs/dbraw/zinc/59/11/19/407591119.db2.gz CBXLBLFSVBAESD-UHFFFAOYSA-N 1 2 307.394 1.580 40 0 DDABLO COC[C@H]1CN(C(=O)c2cccnc2OC)Cc2c[nH+]cn21 ZINC000247909321 408515771 /nfs/dbraw/zinc/51/57/71/408515771.db2.gz XXTIGMCYIWNINK-GFCCVEGCSA-N 1 2 302.334 1.130 40 0 DDABLO O=C(N1CCCn2c(C[NH+]3CCCC3)nnc2C1)C1(F)CCC1 ZINC000585110546 354809338 /nfs/dbraw/zinc/80/93/38/354809338.db2.gz CACGERIHAFJZGV-UHFFFAOYSA-N 1 2 321.400 1.498 40 0 DDABLO Cc1ccccc1C[C@@]1(CO)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585277293 354821435 /nfs/dbraw/zinc/82/14/35/354821435.db2.gz UAWKBFLMBNVPMZ-KRWDZBQOSA-N 1 2 301.390 1.524 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257282350 203010554 /nfs/dbraw/zinc/01/05/54/203010554.db2.gz OTKHOESSKMIWHK-MRXNPFEDSA-N 1 2 301.394 1.650 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257282350 203010556 /nfs/dbraw/zinc/01/05/56/203010556.db2.gz OTKHOESSKMIWHK-MRXNPFEDSA-N 1 2 301.394 1.650 40 0 DDABLO Cc1nc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)co1 ZINC000257319077 203043993 /nfs/dbraw/zinc/04/39/93/203043993.db2.gz VQPHVXJOZJNPGB-INIZCTEOSA-N 1 2 316.361 1.139 40 0 DDABLO CNc1ncccc1C[N@@H+]1CCO[C@H](CCc2ccncn2)C1 ZINC000257342111 203065574 /nfs/dbraw/zinc/06/55/74/203065574.db2.gz ZNDCIMYUOJUDCU-MRXNPFEDSA-N 1 2 313.405 1.747 40 0 DDABLO CNc1ncccc1C[N@H+]1CCO[C@H](CCc2ccncn2)C1 ZINC000257342111 203065578 /nfs/dbraw/zinc/06/55/78/203065578.db2.gz ZNDCIMYUOJUDCU-MRXNPFEDSA-N 1 2 313.405 1.747 40 0 DDABLO CC[N@H+](CC(=O)NC(C)C)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000007682212 284396248 /nfs/dbraw/zinc/39/62/48/284396248.db2.gz BZEODZKMXWZYEO-KKUMJFAQSA-N 1 2 311.470 1.774 40 0 DDABLO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000007682212 284396252 /nfs/dbraw/zinc/39/62/52/284396252.db2.gz BZEODZKMXWZYEO-KKUMJFAQSA-N 1 2 311.470 1.774 40 0 DDABLO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c(=O)c2ccccc21 ZINC000022234476 182314045 /nfs/dbraw/zinc/31/40/45/182314045.db2.gz FOULMFPWRDDRCN-UHFFFAOYSA-N 1 2 313.401 1.799 40 0 DDABLO COCCn1nnnc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230361 406724543 /nfs/dbraw/zinc/72/45/43/406724543.db2.gz YUFJVPXLDSAWIC-UHFFFAOYSA-N 1 2 315.421 1.774 40 0 DDABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(C)ccc1OC ZINC000036741475 406982927 /nfs/dbraw/zinc/98/29/27/406982927.db2.gz GXVUPCUUSAAFLZ-MRXNPFEDSA-N 1 2 320.433 1.773 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000096245984 407256147 /nfs/dbraw/zinc/25/61/47/407256147.db2.gz JNXUXXHGNKASSU-KGLIPLIRSA-N 1 2 317.418 1.565 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000096245984 407256150 /nfs/dbraw/zinc/25/61/50/407256150.db2.gz JNXUXXHGNKASSU-KGLIPLIRSA-N 1 2 317.418 1.565 40 0 DDABLO Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cn1 ZINC000096055727 407229226 /nfs/dbraw/zinc/22/92/26/407229226.db2.gz BFNHPLIUSZKUDZ-UONOGXRCSA-N 1 2 302.403 1.861 40 0 DDABLO Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cn1 ZINC000096055727 407229227 /nfs/dbraw/zinc/22/92/27/407229227.db2.gz BFNHPLIUSZKUDZ-UONOGXRCSA-N 1 2 302.403 1.861 40 0 DDABLO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC000108529245 407387739 /nfs/dbraw/zinc/38/77/39/407387739.db2.gz VSRNRGZUXZTUKZ-KBPBESRZSA-N 1 2 308.378 1.150 40 0 DDABLO COCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC000108529245 407387740 /nfs/dbraw/zinc/38/77/40/407387740.db2.gz VSRNRGZUXZTUKZ-KBPBESRZSA-N 1 2 308.378 1.150 40 0 DDABLO CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)c(C)n1 ZINC000257202756 407493162 /nfs/dbraw/zinc/49/31/62/407493162.db2.gz ANHAZYGFMDDURO-RBSFLKMASA-N 1 2 317.393 1.245 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2C)n1 ZINC000257254278 407521285 /nfs/dbraw/zinc/52/12/85/407521285.db2.gz KCLFLJADMBRUPF-HNNXBMFYSA-N 1 2 314.393 1.481 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2C)n1 ZINC000257254278 407521287 /nfs/dbraw/zinc/52/12/87/407521287.db2.gz KCLFLJADMBRUPF-HNNXBMFYSA-N 1 2 314.393 1.481 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)[nH+]1 ZINC000257268621 407529339 /nfs/dbraw/zinc/52/93/39/407529339.db2.gz MMLZVERVTBQHQE-CQSZACIVSA-N 1 2 318.421 1.827 40 0 DDABLO Cc1cn[nH]c1[C@@H]1COCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000257311484 407533941 /nfs/dbraw/zinc/53/39/41/407533941.db2.gz UJRAFJOQVBCWFT-AWEZNQCLSA-N 1 2 306.410 1.350 40 0 DDABLO Fc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@H]2CCCO2)cc1 ZINC000247531855 408490134 /nfs/dbraw/zinc/49/01/34/408490134.db2.gz PALNWLICXHTRDF-KURKYZTESA-N 1 2 320.408 1.890 40 0 DDABLO Fc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@H]2CCCO2)cc1 ZINC000247531855 408490137 /nfs/dbraw/zinc/49/01/37/408490137.db2.gz PALNWLICXHTRDF-KURKYZTESA-N 1 2 320.408 1.890 40 0 DDABLO Cn1cc(C[N@@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 ZINC000257283732 279336961 /nfs/dbraw/zinc/33/69/61/279336961.db2.gz OZRCFZZQKLDRKD-HOTGVXAUSA-N 1 2 312.373 1.036 40 0 DDABLO Cn1cc(C[N@H+]2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)cn1 ZINC000257283732 279336966 /nfs/dbraw/zinc/33/69/66/279336966.db2.gz OZRCFZZQKLDRKD-HOTGVXAUSA-N 1 2 312.373 1.036 40 0 DDABLO c1cn(-c2cncc([C@H]3CCCN(c4ncccn4)C3)n2)c[nH+]1 ZINC000072355574 191130880 /nfs/dbraw/zinc/13/08/80/191130880.db2.gz UGQDSLIZWFTABZ-ZDUSSCGKSA-N 1 2 307.361 1.836 40 0 DDABLO CCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585095930 354803822 /nfs/dbraw/zinc/80/38/22/354803822.db2.gz CTZMPYFSKDEXJF-CQSZACIVSA-N 1 2 316.361 1.476 40 0 DDABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000585095923 354803881 /nfs/dbraw/zinc/80/38/81/354803881.db2.gz CMBOXORSCHNKDJ-AWEZNQCLSA-N 1 2 316.361 1.332 40 0 DDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NC2CCCC2)C1 ZINC000585096111 354804056 /nfs/dbraw/zinc/80/40/56/354804056.db2.gz RRFYXVXNPSUAFO-UGFHNGPFSA-N 1 2 316.405 1.481 40 0 DDABLO C[N@@H+]1Cc2ccnn2CC[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000585097406 354804838 /nfs/dbraw/zinc/80/48/38/354804838.db2.gz LGNUCRKZIYLIJF-CYBMUJFWSA-N 1 2 320.418 1.066 40 0 DDABLO C[N@H+]1Cc2ccnn2CC[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000585097406 354804843 /nfs/dbraw/zinc/80/48/43/354804843.db2.gz LGNUCRKZIYLIJF-CYBMUJFWSA-N 1 2 320.418 1.066 40 0 DDABLO Cc1cccc(C[C@@]2(CO)CN(c3cc[nH+]c(C)n3)CCO2)c1 ZINC000585276373 354820397 /nfs/dbraw/zinc/82/03/97/354820397.db2.gz NMKUXCMFDYEEJD-SFHVURJKSA-N 1 2 313.401 1.904 40 0 DDABLO OC[C@@]1(Cc2ccc(F)cc2)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585276359 354820559 /nfs/dbraw/zinc/82/05/59/354820559.db2.gz NCJLQIUVGYHJGG-MRXNPFEDSA-N 1 2 305.353 1.355 40 0 DDABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000074935374 191389508 /nfs/dbraw/zinc/38/95/08/191389508.db2.gz WHCWPIAOUAXYSM-UHFFFAOYSA-N 1 2 318.826 1.675 40 0 DDABLO C[NH+](C)Cc1cnc([C@H]2CN(Cc3ccccn3)CCO2)[nH]1 ZINC000257316295 203039858 /nfs/dbraw/zinc/03/98/58/203039858.db2.gz VEZDJMIWSYJNGB-OAHLLOKOSA-N 1 2 301.394 1.440 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257340988 203063606 /nfs/dbraw/zinc/06/36/06/203063606.db2.gz ZIJRFWXFUOQCFV-OAHLLOKOSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257340988 203063609 /nfs/dbraw/zinc/06/36/09/203063609.db2.gz ZIJRFWXFUOQCFV-OAHLLOKOSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3ccc(C)o3)CCO2)C1 ZINC000096049905 193503315 /nfs/dbraw/zinc/50/33/15/193503315.db2.gz YNCKUDBSRLBRKP-INIZCTEOSA-N 1 2 308.378 1.038 40 0 DDABLO CC(=O)N1CCOC[C@]2(C[N@@H+](Cc3ccc(C)o3)CCO2)C1 ZINC000096049905 193503317 /nfs/dbraw/zinc/50/33/17/193503317.db2.gz YNCKUDBSRLBRKP-INIZCTEOSA-N 1 2 308.378 1.038 40 0 DDABLO O=C(C[NH+]1CCSCC1)N1[C@@H]2CC[C@H]1c1snnc1C2 ZINC000019014511 182103319 /nfs/dbraw/zinc/10/33/19/182103319.db2.gz PHCPOWCNYVBSKY-KOLCDFICSA-N 1 2 310.448 1.175 40 0 DDABLO C[C@H](O)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022858733 406890374 /nfs/dbraw/zinc/89/03/74/406890374.db2.gz DZJBWPMAQOFXPB-RYQLBKOJSA-N 1 2 320.433 1.142 40 0 DDABLO COc1c[nH]c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000041127955 407005091 /nfs/dbraw/zinc/00/50/91/407005091.db2.gz MGECHLISFHQXFM-UHFFFAOYSA-N 1 2 317.364 1.845 40 0 DDABLO c1nnc(N2CCC[C@]3(C2)CN(c2cccc[nH+]2)CCO3)s1 ZINC000096226608 407253915 /nfs/dbraw/zinc/25/39/15/407253915.db2.gz QSVWDOZZGQDNTP-OAHLLOKOSA-N 1 2 317.418 1.809 40 0 DDABLO CC(C)CN1CC[N@H+](C)C2(CCN(c3nccs3)CC2)C1=O ZINC000096230058 407253980 /nfs/dbraw/zinc/25/39/80/407253980.db2.gz YQBOOFCCQMQHFA-UHFFFAOYSA-N 1 2 322.478 1.912 40 0 DDABLO CC(C)CN1CC[N@@H+](C)C2(CCN(c3nccs3)CC2)C1=O ZINC000096230058 407253981 /nfs/dbraw/zinc/25/39/81/407253981.db2.gz YQBOOFCCQMQHFA-UHFFFAOYSA-N 1 2 322.478 1.912 40 0 DDABLO O=C([C@@H]1CCCO1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187929 407245691 /nfs/dbraw/zinc/24/56/91/407245691.db2.gz VMQWZXMBDMEBPO-GJZGRUSLSA-N 1 2 319.405 1.447 40 0 DDABLO Cc1noc([C@H]2Cn3nccc3C[N@H+](Cc3ccccn3)C2)n1 ZINC000096188853 407245924 /nfs/dbraw/zinc/24/59/24/407245924.db2.gz BKQYUKFGXQUTBX-CYBMUJFWSA-N 1 2 310.361 1.769 40 0 DDABLO Cc1noc([C@H]2Cn3nccc3C[N@@H+](Cc3ccccn3)C2)n1 ZINC000096188853 407245926 /nfs/dbraw/zinc/24/59/26/407245926.db2.gz BKQYUKFGXQUTBX-CYBMUJFWSA-N 1 2 310.361 1.769 40 0 DDABLO C[C@H]1c2ncc(Cn3cncn3)n2CC[N@H+]1Cc1cccnc1 ZINC000096201279 407248897 /nfs/dbraw/zinc/24/88/97/407248897.db2.gz MYWUEZUJHBTCGR-ZDUSSCGKSA-N 1 2 309.377 1.495 40 0 DDABLO C[C@H]1c2ncc(Cn3cncn3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096201279 407248899 /nfs/dbraw/zinc/24/88/99/407248899.db2.gz MYWUEZUJHBTCGR-ZDUSSCGKSA-N 1 2 309.377 1.495 40 0 DDABLO CCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)no1 ZINC000257223295 407503234 /nfs/dbraw/zinc/50/32/34/407503234.db2.gz DWRZVLPATKCGNH-MGPQQGTHSA-N 1 2 304.350 1.270 40 0 DDABLO CC(C)(C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)n1cncn1 ZINC000257242770 407515517 /nfs/dbraw/zinc/51/55/17/407515517.db2.gz IEBLBJARJWSVRS-ZDUSSCGKSA-N 1 2 314.393 1.193 40 0 DDABLO C[NH+]1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 ZINC000225780796 407605901 /nfs/dbraw/zinc/60/59/01/407605901.db2.gz RQHKUQDKNLHMGP-UHFFFAOYSA-N 1 2 306.366 1.732 40 0 DDABLO Cc1cc(NC(=S)NCC[NH+]2CCOCC2)ncc1Cl ZINC000223892227 418564762 /nfs/dbraw/zinc/56/47/62/418564762.db2.gz UFFUOFITZRBEHE-UHFFFAOYSA-N 1 2 314.842 1.662 40 0 DDABLO Cc1cn[nH]c1[C@H]1COCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000257311485 279007134 /nfs/dbraw/zinc/00/71/34/279007134.db2.gz UJRAFJOQVBCWFT-CQSZACIVSA-N 1 2 306.410 1.350 40 0 DDABLO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1C1CCOCC1 ZINC000096070196 280136922 /nfs/dbraw/zinc/13/69/22/280136922.db2.gz TZZQBMZJAGSXRQ-LBPRGKRZSA-N 1 2 318.421 1.465 40 0 DDABLO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1C1CCOCC1 ZINC000096070196 280136925 /nfs/dbraw/zinc/13/69/25/280136925.db2.gz TZZQBMZJAGSXRQ-LBPRGKRZSA-N 1 2 318.421 1.465 40 0 DDABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccn1 ZINC000257258116 289028211 /nfs/dbraw/zinc/02/82/11/289028211.db2.gz KSLLERDWUFYVLK-QGZVFWFLSA-N 1 2 311.389 1.451 40 0 DDABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccccn1 ZINC000257258116 289028213 /nfs/dbraw/zinc/02/82/13/289028213.db2.gz KSLLERDWUFYVLK-QGZVFWFLSA-N 1 2 311.389 1.451 40 0 DDABLO C[NH+](C)CN1c2ccccc2[C@@]2(NC(=O)c3ccccc3O2)C1=O ZINC000014608286 289186353 /nfs/dbraw/zinc/18/63/53/289186353.db2.gz CYBZRAMBFMZSKG-SFHVURJKSA-N 1 2 323.352 1.528 40 0 DDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NC(C)C)C2)n(C)n1 ZINC000306140664 231089075 /nfs/dbraw/zinc/08/90/75/231089075.db2.gz UZYQBQZCQYUYBC-OAHLLOKOSA-N 1 2 316.409 1.007 40 0 DDABLO CC(=O)N1C[C@@H]2CN(C(=O)C3CCCCC3)CC[N@@H+]2C(C)(C)C1 ZINC000253395751 186304816 /nfs/dbraw/zinc/30/48/16/186304816.db2.gz CLEGMVBGSXWCSA-INIZCTEOSA-N 1 2 321.465 1.720 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(C(=O)C3CCCCC3)CC[N@H+]2C(C)(C)C1 ZINC000253395751 186304818 /nfs/dbraw/zinc/30/48/18/186304818.db2.gz CLEGMVBGSXWCSA-INIZCTEOSA-N 1 2 321.465 1.720 40 0 biogenic,in-vitro DDABLO CNC(=O)[C@@H]1CN(C(=O)C(C)C)CC[N@@H+]1CCc1ccccc1 ZINC000072350900 191127158 /nfs/dbraw/zinc/12/71/58/191127158.db2.gz SNMVPZJUYODLFW-INIZCTEOSA-N 1 2 317.433 1.144 40 0 DDABLO CNC(=O)[C@@H]1CN(C(=O)C(C)C)CC[N@H+]1CCc1ccccc1 ZINC000072350900 191127162 /nfs/dbraw/zinc/12/71/62/191127162.db2.gz SNMVPZJUYODLFW-INIZCTEOSA-N 1 2 317.433 1.144 40 0 DDABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)COC)n1 ZINC000072378464 191141655 /nfs/dbraw/zinc/14/16/55/191141655.db2.gz ROUKLMUYFVCXRX-ZDUSSCGKSA-N 1 2 315.377 1.535 40 0 DDABLO Cc1nc(N2CCC[C@](C)(C(=O)N3CCOCC3)C2)cc[nH+]1 ZINC000072381141 191143326 /nfs/dbraw/zinc/14/33/26/191143326.db2.gz FCKJNQYHGBHHSW-INIZCTEOSA-N 1 2 304.394 1.250 40 0 DDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NC2CCC2)C1 ZINC000585095968 354804259 /nfs/dbraw/zinc/80/42/59/354804259.db2.gz HRIUPCFCIRGYNE-LERXQTSPSA-N 1 2 302.378 1.091 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257314354 203038450 /nfs/dbraw/zinc/03/84/50/203038450.db2.gz UWPJKDXVRLNXTE-LLVKDONJSA-N 1 2 309.395 1.020 40 0 DDABLO CCOCC(=O)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096084798 193531725 /nfs/dbraw/zinc/53/17/25/193531725.db2.gz PUYWKNPLQRMOGE-UHFFFAOYSA-N 1 2 321.425 1.033 40 0 DDABLO O=C([C@H]1CCc2n[nH]cc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000270094202 208152465 /nfs/dbraw/zinc/15/24/65/208152465.db2.gz AGBFYZSPCSOXAH-ZDUSSCGKSA-N 1 2 311.389 1.258 40 0 DDABLO COc1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCN2C(C)=O)cc1 ZINC000257311778 286379193 /nfs/dbraw/zinc/37/91/93/286379193.db2.gz UKYFLBOURRHXML-MRXNPFEDSA-N 1 2 314.389 1.824 40 0 DDABLO CCc1ccc(O[C@H](CC)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222889650 407561612 /nfs/dbraw/zinc/56/16/12/407561612.db2.gz VUIHEIXKLFRYNX-QGZVFWFLSA-N 1 2 320.433 1.855 40 0 DDABLO COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2[nH+]cn(C)c21 ZINC000096044770 407226355 /nfs/dbraw/zinc/22/63/55/407226355.db2.gz FXZGRZMHZSYPOB-NSHDSACASA-N 1 2 305.403 1.797 40 0 DDABLO OCCOCc1ncn2c1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096059008 407231663 /nfs/dbraw/zinc/23/16/63/407231663.db2.gz QHTIDRMIDWJNPH-UHFFFAOYSA-N 1 2 319.380 1.937 40 0 DDABLO OCCOCc1ncn2c1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096059008 407231665 /nfs/dbraw/zinc/23/16/65/407231665.db2.gz QHTIDRMIDWJNPH-UHFFFAOYSA-N 1 2 319.380 1.937 40 0 DDABLO Cc1nc(CN2CCn3c(Cn4cccn4)c[nH+]c3C2)cs1 ZINC000096201096 407248580 /nfs/dbraw/zinc/24/85/80/407248580.db2.gz JKFVIFVFRKPLCS-UHFFFAOYSA-N 1 2 314.418 1.909 40 0 DDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2cccs2)C1 ZINC000096207834 407249925 /nfs/dbraw/zinc/24/99/25/407249925.db2.gz WFHVLMOBNMZWAX-GFCCVEGCSA-N 1 2 305.403 1.792 40 0 DDABLO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)n1 ZINC000107266312 407371835 /nfs/dbraw/zinc/37/18/35/407371835.db2.gz OQKUOLNIFWCNPX-BRWVUGGUSA-N 1 2 315.417 1.602 40 0 DDABLO Cc1cccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)n1 ZINC000107266312 407371836 /nfs/dbraw/zinc/37/18/36/407371836.db2.gz OQKUOLNIFWCNPX-BRWVUGGUSA-N 1 2 315.417 1.602 40 0 DDABLO O=C(CC1CC1)N1CC[C@@H]2OCC[N@H+](Cc3ccncc3)[C@H]2C1 ZINC000108530289 407387614 /nfs/dbraw/zinc/38/76/14/407387614.db2.gz HYFHXNXECJJSDI-IRXDYDNUSA-N 1 2 315.417 1.683 40 0 DDABLO O=C(CC1CC1)N1CC[C@@H]2OCC[N@@H+](Cc3ccncc3)[C@H]2C1 ZINC000108530289 407387615 /nfs/dbraw/zinc/38/76/15/407387615.db2.gz HYFHXNXECJJSDI-IRXDYDNUSA-N 1 2 315.417 1.683 40 0 DDABLO Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257200955 407490995 /nfs/dbraw/zinc/49/09/95/407490995.db2.gz AFMUTIGQYJXHGK-INIZCTEOSA-N 1 2 316.361 1.091 40 0 DDABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257208376 407493014 /nfs/dbraw/zinc/49/30/14/407493014.db2.gz BLYIHQSJKIJTLN-AWEZNQCLSA-N 1 2 317.393 1.671 40 0 DDABLO O=C(CCc1ccccc1F)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257240284 407515547 /nfs/dbraw/zinc/51/55/47/407515547.db2.gz HSWLCGYIRPVCCA-BFYDXBDKSA-N 1 2 317.364 1.836 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2cccc(F)c2)[nH+]1 ZINC000257252315 407521153 /nfs/dbraw/zinc/52/11/53/407521153.db2.gz JUJCCGMLYONHHI-AWEZNQCLSA-N 1 2 319.336 1.836 40 0 DDABLO CC(C)n1nccc1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257260873 407524090 /nfs/dbraw/zinc/52/40/90/407524090.db2.gz LEVHIFBSDCJRNS-YRGRVCCFSA-N 1 2 303.366 1.155 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975397 407612215 /nfs/dbraw/zinc/61/22/15/407612215.db2.gz BSNOPOYLNCYUAM-UHFFFAOYSA-N 1 2 308.769 1.278 40 0 DDABLO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000226954327 407625244 /nfs/dbraw/zinc/62/52/44/407625244.db2.gz KFLMJLOBTBXGAN-KCQAQPDRSA-N 1 2 307.390 1.738 40 0 DDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](C(=O)N(C)C)C1 ZINC000248024646 408526588 /nfs/dbraw/zinc/52/65/88/408526588.db2.gz RYXQSNBFSZRHQC-HNNXBMFYSA-N 1 2 314.389 1.537 40 0 DDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](C(=O)N(C)C)C1 ZINC000248024646 408526592 /nfs/dbraw/zinc/52/65/92/408526592.db2.gz RYXQSNBFSZRHQC-HNNXBMFYSA-N 1 2 314.389 1.537 40 0 DDABLO C[C@@H](CO)Nc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000328972141 410026389 /nfs/dbraw/zinc/02/63/89/410026389.db2.gz DTZORQYSBKHWHT-JTQLQIEISA-N 1 2 300.362 1.440 40 0 DDABLO Cc1cnc(C[C@@H]2COCC[N@@H+](Cc3nccn3C)C2)cn1 ZINC000072388214 191146217 /nfs/dbraw/zinc/14/62/17/191146217.db2.gz MDABJYYRLCSHJR-AWEZNQCLSA-N 1 2 301.394 1.210 40 0 DDABLO Cc1cnc(C[C@@H]2COCC[N@H+](Cc3nccn3C)C2)cn1 ZINC000072388214 191146218 /nfs/dbraw/zinc/14/62/18/191146218.db2.gz MDABJYYRLCSHJR-AWEZNQCLSA-N 1 2 301.394 1.210 40 0 DDABLO O=C(NC1CCCC1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095940 354803837 /nfs/dbraw/zinc/80/38/37/354803837.db2.gz FJBGZZIPBOZLOT-OAHLLOKOSA-N 1 2 316.405 1.625 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1cn(C)c3ccccc13)C2 ZINC000585095004 354803969 /nfs/dbraw/zinc/80/39/69/354803969.db2.gz YZSNRISKMZNHCD-LBPRGKRZSA-N 1 2 324.384 1.471 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1c[nH]c(C)n1)[C@H]2C ZINC000585098238 354806372 /nfs/dbraw/zinc/80/63/72/354806372.db2.gz SLUDLHYCCZIRHV-NSHDSACASA-N 1 2 317.393 1.711 40 0 DDABLO O=C(CCn1cc[nH+]c1)NCc1ccnc([C@H]2CCCOC2)n1 ZINC000257273425 203002650 /nfs/dbraw/zinc/00/26/50/203002650.db2.gz NGNBCEQLGGITOZ-ZDUSSCGKSA-N 1 2 315.377 1.274 40 0 DDABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cnc[nH]c2=O)cc[nH+]1 ZINC000257307763 203031160 /nfs/dbraw/zinc/03/11/60/203031160.db2.gz TUAAPNPGZSEDSP-CYBMUJFWSA-N 1 2 313.361 1.621 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)[nH+]1 ZINC000257280075 203009213 /nfs/dbraw/zinc/00/92/13/203009213.db2.gz OJIFJEAWXGQSHP-AWEZNQCLSA-N 1 2 301.394 1.975 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000257333518 203056242 /nfs/dbraw/zinc/05/62/42/203056242.db2.gz YBWUVFCFYWKURB-OAHLLOKOSA-N 1 2 313.405 1.909 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000257333518 203056246 /nfs/dbraw/zinc/05/62/46/203056246.db2.gz YBWUVFCFYWKURB-OAHLLOKOSA-N 1 2 313.405 1.909 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccccn1 ZINC000096062108 193514186 /nfs/dbraw/zinc/51/41/86/193514186.db2.gz AXPIMHSQTZMPAE-GFCCVEGCSA-N 1 2 323.360 1.135 40 0 DDABLO Nc1nc(N2CCN(C(=O)c3ccco3)CC2)[nH+]c2ccccc12 ZINC000000478482 406649772 /nfs/dbraw/zinc/64/97/72/406649772.db2.gz DECAUZVEBBDOOT-UHFFFAOYSA-N 1 2 323.356 1.767 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CNC(=O)CN3CC2CC2)cs1 ZINC000096238270 407254994 /nfs/dbraw/zinc/25/49/94/407254994.db2.gz HEJCUKGMJWLCGS-INIZCTEOSA-N 1 2 320.462 1.238 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)CNC(=O)CN3CC2CC2)cs1 ZINC000096238270 407254996 /nfs/dbraw/zinc/25/49/96/407254996.db2.gz HEJCUKGMJWLCGS-INIZCTEOSA-N 1 2 320.462 1.238 40 0 DDABLO Cc1nc(CN2CC[C@@]3(C2)CNC(=O)C[N@@H+]3CC2CC2)cs1 ZINC000096238270 407254998 /nfs/dbraw/zinc/25/49/98/407254998.db2.gz HEJCUKGMJWLCGS-INIZCTEOSA-N 1 2 320.462 1.238 40 0 DDABLO Cc1nc(CN2CC[C@@]3(C2)CNC(=O)C[N@H+]3CC2CC2)cs1 ZINC000096238270 407255000 /nfs/dbraw/zinc/25/50/00/407255000.db2.gz HEJCUKGMJWLCGS-INIZCTEOSA-N 1 2 320.462 1.238 40 0 DDABLO O=C(c1ccncc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061816 407231817 /nfs/dbraw/zinc/23/18/17/407231817.db2.gz RPSLLHZMUPRRJR-UHFFFAOYSA-N 1 2 308.345 1.179 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198200 407247777 /nfs/dbraw/zinc/24/77/77/407247777.db2.gz CYZNTLCLXRTRGM-AWEZNQCLSA-N 1 2 302.378 1.570 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198200 407247778 /nfs/dbraw/zinc/24/77/78/407247778.db2.gz CYZNTLCLXRTRGM-AWEZNQCLSA-N 1 2 302.378 1.570 40 0 DDABLO Cc1ccc(C[NH2+]C2(Cc3cc(C(C)(C)O)on3)COC2)o1 ZINC000067897926 407289397 /nfs/dbraw/zinc/28/93/97/407289397.db2.gz XYLWBOYEKLOIEV-UHFFFAOYSA-N 1 2 306.362 1.905 40 0 biogenic,in-vitro DDABLO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C)C[C@@H]21 ZINC000108534044 407387506 /nfs/dbraw/zinc/38/75/06/407387506.db2.gz NHUWGKUJMXTHRE-KBPBESRZSA-N 1 2 324.446 1.618 40 0 DDABLO COCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sccc3C)C[C@@H]21 ZINC000108534044 407387508 /nfs/dbraw/zinc/38/75/08/407387508.db2.gz NHUWGKUJMXTHRE-KBPBESRZSA-N 1 2 324.446 1.618 40 0 DDABLO O=C(c1cccs1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257199851 407489758 /nfs/dbraw/zinc/48/97/58/407489758.db2.gz ABAUQMQPIWNURQ-GHMZBOCLSA-N 1 2 316.373 1.665 40 0 DDABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000216425199 407495203 /nfs/dbraw/zinc/49/52/03/407495203.db2.gz PPZCRMPXPOLMMT-MRXNPFEDSA-N 1 2 322.405 1.301 40 0 DDABLO CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000257220656 407501397 /nfs/dbraw/zinc/50/13/97/407501397.db2.gz DLPIVBWUMIYXCD-MRXNPFEDSA-N 1 2 312.373 1.315 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000257227726 407507038 /nfs/dbraw/zinc/50/70/38/407507038.db2.gz FQPXWEAIPOEEEM-GFCCVEGCSA-N 1 2 306.391 1.198 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000257227726 407507042 /nfs/dbraw/zinc/50/70/42/407507042.db2.gz FQPXWEAIPOEEEM-GFCCVEGCSA-N 1 2 306.391 1.198 40 0 DDABLO CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000257254777 407520071 /nfs/dbraw/zinc/52/00/71/407520071.db2.gz KEQFAYSUCIIFEF-CQSZACIVSA-N 1 2 319.405 1.928 40 0 DDABLO CN(C)c1cccc(CC[C@H]2CCCCN2S(C)(=O)=O)[nH+]1 ZINC000257284975 407530678 /nfs/dbraw/zinc/53/06/78/407530678.db2.gz PFCRAWCTKZCQLT-CQSZACIVSA-N 1 2 311.451 1.894 40 0 DDABLO O=C(NCC1CC1)[C@@H]1CN(Cc2ccco2)Cc2c[nH+]cn21 ZINC000306133928 231086999 /nfs/dbraw/zinc/08/69/99/231086999.db2.gz MZOJDZHIJUBZLK-HNNXBMFYSA-N 1 2 300.362 1.559 40 0 DDABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@H](Cn3cccn3)CC[C@@H]21 ZINC000306140625 231089423 /nfs/dbraw/zinc/08/94/23/231089423.db2.gz UZCVUJAHTCHMCG-OFQRWUPVSA-N 1 2 301.394 1.296 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)cn1 ZINC000019692423 352169110 /nfs/dbraw/zinc/16/91/10/352169110.db2.gz SZUJNBMQRUUGKQ-QGZVFWFLSA-N 1 2 324.388 1.779 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)cn1 ZINC000019692423 352169115 /nfs/dbraw/zinc/16/91/15/352169115.db2.gz SZUJNBMQRUUGKQ-QGZVFWFLSA-N 1 2 324.388 1.779 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2N1c1ccccc1 ZINC000213615438 354311080 /nfs/dbraw/zinc/31/10/80/354311080.db2.gz CUFZYHJHBGLKOZ-IRXDYDNUSA-N 1 2 309.369 1.698 40 0 DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2N1c1ccccc1 ZINC000213615438 354311083 /nfs/dbraw/zinc/31/10/83/354311083.db2.gz CUFZYHJHBGLKOZ-IRXDYDNUSA-N 1 2 309.369 1.698 40 0 DDABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCO2)C1 ZINC000585096038 354804441 /nfs/dbraw/zinc/80/44/41/354804441.db2.gz OGHGEAYZTWLPTH-CYBMUJFWSA-N 1 2 306.366 1.121 40 0 DDABLO C[NH+](C)Cc1n[nH]c2c1CCN(C(=O)c1ccnc(F)c1)C2 ZINC000585110541 354809651 /nfs/dbraw/zinc/80/96/51/354809651.db2.gz ONDXSCHJXRZGMN-UHFFFAOYSA-N 1 2 303.341 1.204 40 0 DDABLO O=S(=O)(NCC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21)C1CC1 ZINC000585112170 354810491 /nfs/dbraw/zinc/81/04/91/354810491.db2.gz KGOCKMDFYFCYCM-AWEZNQCLSA-N 1 2 324.450 1.264 40 0 DDABLO O=S(=O)(NCC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21)C1CC1 ZINC000585112170 354810494 /nfs/dbraw/zinc/81/04/94/354810494.db2.gz KGOCKMDFYFCYCM-AWEZNQCLSA-N 1 2 324.450 1.264 40 0 DDABLO Cc1nc(N2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)cc[nH+]1 ZINC000585182030 354817712 /nfs/dbraw/zinc/81/77/12/354817712.db2.gz KHEYSJVPLFVEHM-LLVKDONJSA-N 1 2 321.406 1.643 40 0 DDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585290045 354824925 /nfs/dbraw/zinc/82/49/25/354824925.db2.gz ZIRPANPVECBZDQ-TYGQBZDHSA-N 1 2 311.385 1.875 40 0 DDABLO COc1ccc([C@H]2CN(C(=O)c3nccn3C)CC[N@@H+]2C)cc1 ZINC000257276836 203006030 /nfs/dbraw/zinc/00/60/30/203006030.db2.gz NVIYSSAHKHISOO-OAHLLOKOSA-N 1 2 314.389 1.558 40 0 DDABLO COc1ccc([C@H]2CN(C(=O)c3nccn3C)CC[N@H+]2C)cc1 ZINC000257276836 203006035 /nfs/dbraw/zinc/00/60/35/203006035.db2.gz NVIYSSAHKHISOO-OAHLLOKOSA-N 1 2 314.389 1.558 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257308603 203032805 /nfs/dbraw/zinc/03/28/05/203032805.db2.gz TXIUDHVAMIVQCJ-LBPRGKRZSA-N 1 2 320.418 1.667 40 0 DDABLO Cc1[nH+]c(N2CCN(C=O)CC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224729 257123249 /nfs/dbraw/zinc/12/32/49/257123249.db2.gz MXHJYVQENVWSFR-SFHVURJKSA-N 1 2 311.385 1.750 40 0 DDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCC4CC4)[C@@H](C2)O3)o1 ZINC000096252987 407257080 /nfs/dbraw/zinc/25/70/80/407257080.db2.gz XJCDGVXJBAZWOS-OWCLPIDISA-N 1 2 304.390 1.704 40 0 DDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCC4CC4)[C@@H](C2)O3)o1 ZINC000096252987 407257083 /nfs/dbraw/zinc/25/70/83/407257083.db2.gz XJCDGVXJBAZWOS-OWCLPIDISA-N 1 2 304.390 1.704 40 0 DDABLO O=C([C@@H]1CCCO1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187928 407246100 /nfs/dbraw/zinc/24/61/00/407246100.db2.gz VMQWZXMBDMEBPO-CABCVRRESA-N 1 2 319.405 1.447 40 0 DDABLO O=C(N1CCCC1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201127 407248271 /nfs/dbraw/zinc/24/82/71/407248271.db2.gz UOVWIBGAHICORA-UHFFFAOYSA-N 1 2 300.366 1.159 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257205172 407494594 /nfs/dbraw/zinc/49/45/94/407494594.db2.gz AXXUUYFWTYZYEG-CYBMUJFWSA-N 1 2 301.394 1.790 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@H](C1)C(=O)[C@@H]1CCC[N@H+]12 ZINC000216525961 407498113 /nfs/dbraw/zinc/49/81/13/407498113.db2.gz ASTMRLPYJIVQKR-AVGNSLFASA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@H](C1)C(=O)[C@@H]1CCC[N@@H+]12 ZINC000216525961 407498116 /nfs/dbraw/zinc/49/81/16/407498116.db2.gz ASTMRLPYJIVQKR-AVGNSLFASA-N 1 2 323.389 1.315 40 0 DDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cnn2cccnc12 ZINC000257221125 407504187 /nfs/dbraw/zinc/50/41/87/407504187.db2.gz DNPKDVVKKFOARO-CYBMUJFWSA-N 1 2 322.372 1.523 40 0 DDABLO CCCOC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000225450524 407588352 /nfs/dbraw/zinc/58/83/52/407588352.db2.gz UHXJWLGGURGICX-UHFFFAOYSA-N 1 2 307.394 1.580 40 0 DDABLO FC(F)(F)c1nc(Cl)cc(NCC[NH+]2CCOCC2)n1 ZINC000236143911 407724528 /nfs/dbraw/zinc/72/45/28/407724528.db2.gz HORRGKCZXOQEKQ-UHFFFAOYSA-N 1 2 310.707 1.893 40 0 DDABLO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)[nH]1 ZINC000096070638 279058103 /nfs/dbraw/zinc/05/81/03/279058103.db2.gz WVIDNAWNMYOJAD-QJPTWQEYSA-N 1 2 305.407 1.922 40 0 DDABLO Cc1nnc([C@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)[nH]1 ZINC000096070638 279058106 /nfs/dbraw/zinc/05/81/06/279058106.db2.gz WVIDNAWNMYOJAD-QJPTWQEYSA-N 1 2 305.407 1.922 40 0 DDABLO CCCNC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000012142788 535070688 /nfs/dbraw/zinc/07/06/88/535070688.db2.gz IGYCHAKTJDTSAZ-UHFFFAOYSA-N 1 2 300.362 1.605 40 0 DDABLO c1ccn(-n2c(CN3CCCC3)nnc2C[NH+]2CCCC2)c1 ZINC000225150879 539266041 /nfs/dbraw/zinc/26/60/41/539266041.db2.gz TWBVDCCEHZRNAD-UHFFFAOYSA-N 1 2 300.410 1.583 40 0 DDABLO CNc1cccc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)[nH+]1 ZINC000072364563 191132657 /nfs/dbraw/zinc/13/26/57/191132657.db2.gz CMNXRRVAGLJGOX-LLVKDONJSA-N 1 2 321.406 1.415 40 0 DDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cnc(C)cn1 ZINC000585094793 354803571 /nfs/dbraw/zinc/80/35/71/354803571.db2.gz NCPPZCGTWUPPCP-GFCCVEGCSA-N 1 2 315.377 1.122 40 0 DDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)o1 ZINC000585110905 354809579 /nfs/dbraw/zinc/80/95/79/354809579.db2.gz XZVZFPMUOLCFSA-CQSZACIVSA-N 1 2 314.389 1.653 40 0 DDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)o1 ZINC000585110905 354809580 /nfs/dbraw/zinc/80/95/80/354809580.db2.gz XZVZFPMUOLCFSA-CQSZACIVSA-N 1 2 314.389 1.653 40 0 DDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112291 354810503 /nfs/dbraw/zinc/81/05/03/354810503.db2.gz MYNWNYPXZLXSFP-AWEZNQCLSA-N 1 2 320.418 1.238 40 0 DDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112291 354810504 /nfs/dbraw/zinc/81/05/04/354810504.db2.gz MYNWNYPXZLXSFP-AWEZNQCLSA-N 1 2 320.418 1.238 40 0 DDABLO Cc1[nH]ncc1C[N@@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585273951 354818571 /nfs/dbraw/zinc/81/85/71/354818571.db2.gz GXTUAELODXDIKQ-INIZCTEOSA-N 1 2 305.353 1.873 40 0 DDABLO Cc1[nH]ncc1C[N@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585273951 354818572 /nfs/dbraw/zinc/81/85/72/354818572.db2.gz GXTUAELODXDIKQ-INIZCTEOSA-N 1 2 305.353 1.873 40 0 DDABLO O=C1C[N@H+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CCN1 ZINC000585289193 354825410 /nfs/dbraw/zinc/82/54/10/354825410.db2.gz FWMUBMXMTVTQOW-SQWLQELKSA-N 1 2 324.808 1.433 40 0 DDABLO O=C1C[N@@H+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CCN1 ZINC000585289193 354825418 /nfs/dbraw/zinc/82/54/18/354825418.db2.gz FWMUBMXMTVTQOW-SQWLQELKSA-N 1 2 324.808 1.433 40 0 DDABLO CNc1cncc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257305816 203030587 /nfs/dbraw/zinc/03/05/87/203030587.db2.gz SRRBIVJNIKAZKM-ZDUSSCGKSA-N 1 2 300.366 1.469 40 0 DDABLO C[C@]1(O)CCN(Cc2[nH]cc[nH+]2)C[C@@H]1Oc1cccc(F)c1 ZINC000257281722 203010811 /nfs/dbraw/zinc/01/08/11/203010811.db2.gz OQQOMMRIZGHGBX-HOCLYGCPSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)CC[N@H+](Cc2ncc[nH]2)C[C@@H]1Oc1cccc(F)c1 ZINC000257281722 203010814 /nfs/dbraw/zinc/01/08/14/203010814.db2.gz OQQOMMRIZGHGBX-HOCLYGCPSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@]1(O)CC[N@@H+](Cc2ncc[nH]2)C[C@@H]1Oc1cccc(F)c1 ZINC000257281722 203010817 /nfs/dbraw/zinc/01/08/17/203010817.db2.gz OQQOMMRIZGHGBX-HOCLYGCPSA-N 1 2 305.353 1.953 40 0 DDABLO Cc1ccncc1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257320462 203046057 /nfs/dbraw/zinc/04/60/57/203046057.db2.gz VWXRCBPRFXRFMA-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1ccncc1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257320462 203046061 /nfs/dbraw/zinc/04/60/61/203046061.db2.gz VWXRCBPRFXRFMA-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)COC2CCCC2)C1 ZINC000096209363 407251275 /nfs/dbraw/zinc/25/12/75/407251275.db2.gz GVLDRZICWLHCGU-CYBMUJFWSA-N 1 2 307.394 1.447 40 0 DDABLO OCCOCc1nnn2c1C[N@H+](Cc1ccsc1)CCC2 ZINC000096256063 407256778 /nfs/dbraw/zinc/25/67/78/407256778.db2.gz LMBFJNZDMVPCCJ-UHFFFAOYSA-N 1 2 308.407 1.254 40 0 DDABLO OCCOCc1nnn2c1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096256063 407256781 /nfs/dbraw/zinc/25/67/81/407256781.db2.gz LMBFJNZDMVPCCJ-UHFFFAOYSA-N 1 2 308.407 1.254 40 0 DDABLO O=C(c1cccs1)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096061923 407231875 /nfs/dbraw/zinc/23/18/75/407231875.db2.gz PYKQNJQTKMUHSO-UHFFFAOYSA-N 1 2 314.374 1.240 40 0 DDABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@H](Cn1cncn1)C2 ZINC000096188611 407245613 /nfs/dbraw/zinc/24/56/13/407245613.db2.gz KNYGBCPSWJRSBM-AWEZNQCLSA-N 1 2 314.418 1.868 40 0 DDABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@H](Cn1cncn1)C2 ZINC000096188611 407245615 /nfs/dbraw/zinc/24/56/15/407245615.db2.gz KNYGBCPSWJRSBM-AWEZNQCLSA-N 1 2 314.418 1.868 40 0 DDABLO c1cnn(Cc2c[nH+]c3n2CCN(Cc2nccs2)C3)c1 ZINC000096201092 407249056 /nfs/dbraw/zinc/24/90/56/407249056.db2.gz UTNRBVJKUVMAAF-UHFFFAOYSA-N 1 2 300.391 1.600 40 0 DDABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2nc(C)cn2C)C1 ZINC000257239235 407514199 /nfs/dbraw/zinc/51/41/99/407514199.db2.gz HONPQHKWQFTCKL-AWEZNQCLSA-N 1 2 303.410 1.909 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnn3cccnc23)[nH+]1 ZINC000257271514 407531056 /nfs/dbraw/zinc/53/10/56/407531056.db2.gz MYQCPQLPTZGWRC-CYBMUJFWSA-N 1 2 310.361 1.749 40 0 DDABLO Cc1cc(C)c2c(=O)ccn(CC(=O)N3CC[NH+](C)CC3)c2c1 ZINC000225756786 407604344 /nfs/dbraw/zinc/60/43/44/407604344.db2.gz IIQZCVPULOWXJC-UHFFFAOYSA-N 1 2 313.401 1.392 40 0 DDABLO COC[C@@H]1CN(C(=O)c2cc(C)nc(C)c2)Cc2c[nH+]cn21 ZINC000247913992 408517059 /nfs/dbraw/zinc/51/70/59/408517059.db2.gz YXMDZICFOUUHGN-HNNXBMFYSA-N 1 2 300.362 1.738 40 0 DDABLO COc1cc([C@@H]2NC(=O)CC[NH2+]2)cc(Br)c1O ZINC000408737265 418811671 /nfs/dbraw/zinc/81/16/71/418811671.db2.gz MWMTUUQVGGQRDM-NSHDSACASA-N 1 2 301.140 1.271 40 0 DDABLO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)nc1 ZINC000072383078 191142736 /nfs/dbraw/zinc/14/27/36/191142736.db2.gz CBLAKVZRAURHCJ-ZDUSSCGKSA-N 1 2 312.377 1.546 40 0 DDABLO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+]3CC(N)=O)n2)nc1 ZINC000072383078 191142738 /nfs/dbraw/zinc/14/27/38/191142738.db2.gz CBLAKVZRAURHCJ-ZDUSSCGKSA-N 1 2 312.377 1.546 40 0 DDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000585096089 354804449 /nfs/dbraw/zinc/80/44/49/354804449.db2.gz PPUJVELAJJHPHV-OAHLLOKOSA-N 1 2 323.356 1.308 40 0 DDABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2cccnc2C)CCO1 ZINC000585276857 354820234 /nfs/dbraw/zinc/82/02/34/354820234.db2.gz RYPDWACJRZHHNG-KRWDZBQOSA-N 1 2 321.421 1.086 40 0 DDABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC000585276857 354820237 /nfs/dbraw/zinc/82/02/37/354820237.db2.gz RYPDWACJRZHHNG-KRWDZBQOSA-N 1 2 321.421 1.086 40 0 DDABLO CO[C@@]1(COc2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585279505 354822555 /nfs/dbraw/zinc/82/25/55/354822555.db2.gz ZHMZFXIQGBONIJ-KRWDZBQOSA-N 1 2 315.373 1.649 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257329020 203053467 /nfs/dbraw/zinc/05/34/67/203053467.db2.gz XIBGICIXFHWNEK-GFCCVEGCSA-N 1 2 323.422 1.030 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3cncnc3)C[C@@H]2N1c1ccccc1 ZINC000257340102 203061978 /nfs/dbraw/zinc/06/19/78/203061978.db2.gz ZEOJMYGPJMRDQV-HOTGVXAUSA-N 1 2 310.357 1.093 40 0 DDABLO O=C1CO[C@H]2C[N@@H+](Cc3cncnc3)C[C@@H]2N1c1ccccc1 ZINC000257340102 203061983 /nfs/dbraw/zinc/06/19/83/203061983.db2.gz ZEOJMYGPJMRDQV-HOTGVXAUSA-N 1 2 310.357 1.093 40 0 DDABLO Cc1nnc([C@@]23CCO[C@@H]2CC[N@H+](Cc2nccs2)C3)o1 ZINC000096038807 256552193 /nfs/dbraw/zinc/55/21/93/256552193.db2.gz YDQPSSHIVAYCMT-BXUZGUMPSA-N 1 2 306.391 1.767 40 0 DDABLO Cc1nnc([C@@]23CCO[C@@H]2CC[N@@H+](Cc2nccs2)C3)o1 ZINC000096038807 256552195 /nfs/dbraw/zinc/55/21/95/256552195.db2.gz YDQPSSHIVAYCMT-BXUZGUMPSA-N 1 2 306.391 1.767 40 0 DDABLO COc1ccc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1OC ZINC000095533786 257137774 /nfs/dbraw/zinc/13/77/74/257137774.db2.gz RKQVVCUYZDSLHV-AWEZNQCLSA-N 1 2 311.345 1.932 40 0 DDABLO COc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1OC ZINC000095533786 257137776 /nfs/dbraw/zinc/13/77/76/257137776.db2.gz RKQVVCUYZDSLHV-AWEZNQCLSA-N 1 2 311.345 1.932 40 0 DDABLO COCCCNC(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306144799 533290640 /nfs/dbraw/zinc/29/06/40/533290640.db2.gz ZOUIMIRWWPFWFN-CQSZACIVSA-N 1 2 316.405 1.867 40 0 DDABLO COCCCNC(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306144799 533290647 /nfs/dbraw/zinc/29/06/47/533290647.db2.gz ZOUIMIRWWPFWFN-CQSZACIVSA-N 1 2 316.405 1.867 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252916 407256749 /nfs/dbraw/zinc/25/67/49/407256749.db2.gz GKSPNUUJJPGMIL-IJEWVQPXSA-N 1 2 321.421 1.653 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252916 407256751 /nfs/dbraw/zinc/25/67/51/407256751.db2.gz GKSPNUUJJPGMIL-IJEWVQPXSA-N 1 2 321.421 1.653 40 0 DDABLO COCCC(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202277 407249752 /nfs/dbraw/zinc/24/97/52/407249752.db2.gz QNNHZFWZQFGWDI-KRWDZBQOSA-N 1 2 319.405 1.173 40 0 DDABLO COCCN1C(=O)CC[C@@]12CCC[N@H+](Cc1nccn1C)C2 ZINC000096203175 407250170 /nfs/dbraw/zinc/25/01/70/407250170.db2.gz SERQOWKJDGVIFV-MRXNPFEDSA-N 1 2 306.410 1.024 40 0 DDABLO COCCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nccn1C)C2 ZINC000096203175 407250172 /nfs/dbraw/zinc/25/01/72/407250172.db2.gz SERQOWKJDGVIFV-MRXNPFEDSA-N 1 2 306.410 1.024 40 0 DDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@@H](C(=O)N(C)C)C1 ZINC000104784672 407351698 /nfs/dbraw/zinc/35/16/98/407351698.db2.gz LWFWRGBFYQTTBX-ZDUSSCGKSA-N 1 2 317.393 1.208 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@@H](C(=O)N(C)C)C1 ZINC000104784672 407351699 /nfs/dbraw/zinc/35/16/99/407351699.db2.gz LWFWRGBFYQTTBX-ZDUSSCGKSA-N 1 2 317.393 1.208 40 0 DDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256051410 407479094 /nfs/dbraw/zinc/47/90/94/407479094.db2.gz JBFYBARGUYNYFX-UHFFFAOYSA-N 1 2 305.279 1.916 40 0 DDABLO Cc1cnc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257208661 407496605 /nfs/dbraw/zinc/49/66/05/407496605.db2.gz BNBSFKQWCZIUCD-AWEZNQCLSA-N 1 2 311.389 1.921 40 0 DDABLO Nc1nccnc1[C@H]1C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257258687 407524404 /nfs/dbraw/zinc/52/44/04/407524404.db2.gz KVCGHDJQTNHNHU-CQSZACIVSA-N 1 2 318.352 1.650 40 0 DDABLO Nc1nccnc1[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257258687 407524408 /nfs/dbraw/zinc/52/44/08/407524408.db2.gz KVCGHDJQTNHNHU-CQSZACIVSA-N 1 2 318.352 1.650 40 0 DDABLO CCNc1cc(-c2cccnc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329065326 410082518 /nfs/dbraw/zinc/08/25/18/410082518.db2.gz XPWPDVHIFQKUOE-AWEZNQCLSA-N 1 2 301.394 2.399 40 0 DDABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Cl)cn1 ZINC000223891111 418564710 /nfs/dbraw/zinc/56/47/10/418564710.db2.gz BJIPUALTIAJFLR-UHFFFAOYSA-N 1 2 300.815 1.354 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3[nH]cnc3c2)[nH+]1 ZINC000257300887 301024040 /nfs/dbraw/zinc/02/40/40/301024040.db2.gz RWBAHJJFGUHOJS-AWEZNQCLSA-N 1 2 311.345 1.808 40 0 DDABLO CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257208346 290623516 /nfs/dbraw/zinc/62/35/16/290623516.db2.gz BLTVSUOJLQUBGI-INIZCTEOSA-N 1 2 314.393 1.379 40 0 DDABLO CN(C)c1cccc(C2CCN(C(=O)c3cnn(C)c3)CC2)[nH+]1 ZINC000072368543 191138378 /nfs/dbraw/zinc/13/83/78/191138378.db2.gz KZZLGRMWXMPTPB-UHFFFAOYSA-N 1 2 313.405 1.901 40 0 DDABLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257208850 202943374 /nfs/dbraw/zinc/94/33/74/202943374.db2.gz BNUQWGIOXIMLAG-IIAWOOMASA-N 1 2 317.393 1.036 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257329472 203052542 /nfs/dbraw/zinc/05/25/42/203052542.db2.gz XKCJEEOUUIRNFR-ZDUSSCGKSA-N 1 2 303.366 1.047 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257314071 203038528 /nfs/dbraw/zinc/03/85/28/203038528.db2.gz UVERBMOBLLSTEL-LLVKDONJSA-N 1 2 307.785 1.595 40 0 DDABLO COc1ccc(C2N3CCN2CCC3)cc1C[NH+]1CCOCC1 ZINC000019324079 182116384 /nfs/dbraw/zinc/11/63/84/182116384.db2.gz DRUFJJXYTKXTRC-UHFFFAOYSA-N 1 2 317.433 1.547 40 0 DDABLO COCC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1cc[nH+]c(N)c1 ZINC000072360811 292176088 /nfs/dbraw/zinc/17/60/88/292176088.db2.gz RWWKGAWBLNRWTF-CYBMUJFWSA-N 1 2 315.377 1.754 40 0 DDABLO CN(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096048946 407227594 /nfs/dbraw/zinc/22/75/94/407227594.db2.gz HLUBWKBVZQHWNQ-UHFFFAOYSA-N 1 2 318.421 1.430 40 0 DDABLO CN(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096048946 407227595 /nfs/dbraw/zinc/22/75/95/407227595.db2.gz HLUBWKBVZQHWNQ-UHFFFAOYSA-N 1 2 318.421 1.430 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)C2)[nH+]1 ZINC000257244474 407513543 /nfs/dbraw/zinc/51/35/43/407513543.db2.gz ILNDQNDFZOQUTJ-GFCCVEGCSA-N 1 2 314.393 1.594 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cnco2)CC[N@@H+]1C ZINC000257243425 407513812 /nfs/dbraw/zinc/51/38/12/407513812.db2.gz IGWZSYVTHVZWEY-ZDUSSCGKSA-N 1 2 301.346 1.812 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cnco2)CC[N@H+]1C ZINC000257243425 407513814 /nfs/dbraw/zinc/51/38/14/407513814.db2.gz IGWZSYVTHVZWEY-ZDUSSCGKSA-N 1 2 301.346 1.812 40 0 DDABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257263381 407525986 /nfs/dbraw/zinc/52/59/86/407525986.db2.gz LPQFBEBTOKVDLO-OAHLLOKOSA-N 1 2 320.418 1.475 40 0 DDABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257263381 407525994 /nfs/dbraw/zinc/52/59/94/407525994.db2.gz LPQFBEBTOKVDLO-OAHLLOKOSA-N 1 2 320.418 1.475 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257269381 407529320 /nfs/dbraw/zinc/52/93/20/407529320.db2.gz MPSMQLPETJLZID-OAHLLOKOSA-N 1 2 315.421 1.948 40 0 DDABLO CCNc1cc(-c2cccnc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329065327 410082093 /nfs/dbraw/zinc/08/20/93/410082093.db2.gz XPWPDVHIFQKUOE-CQSZACIVSA-N 1 2 301.394 2.399 40 0 DDABLO c1cncc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)c1 ZINC000329037981 410066929 /nfs/dbraw/zinc/06/69/29/410066929.db2.gz RQHNDNMDZFNKQB-UHFFFAOYSA-N 1 2 318.384 1.964 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@H]2COc1ccccn1 ZINC000306144611 231091448 /nfs/dbraw/zinc/09/14/48/231091448.db2.gz ZKEVLRXBORABLY-AWEZNQCLSA-N 1 2 308.345 1.708 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3cccnc3)[C@H]2C1 ZINC000096080539 193528005 /nfs/dbraw/zinc/52/80/05/193528005.db2.gz MELNVZCADVRWRF-JSGCOSHPSA-N 1 2 300.387 1.495 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)[C@H]2C1 ZINC000096080539 193528007 /nfs/dbraw/zinc/52/80/07/193528007.db2.gz MELNVZCADVRWRF-JSGCOSHPSA-N 1 2 300.387 1.495 40 0 DDABLO CCOc1cccc2c(C)nc(NC3=[NH+]CN(CC)CN3)nc12 ZINC000019330728 182116378 /nfs/dbraw/zinc/11/63/78/182116378.db2.gz OKBWKZODWVVLQY-UHFFFAOYSA-N 1 2 314.393 1.945 40 0 DDABLO Cc1cc(F)ccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000042665679 183295649 /nfs/dbraw/zinc/29/56/49/183295649.db2.gz XJYKPGAYEKYNQP-UHFFFAOYSA-N 1 2 316.398 1.135 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2nnn(CC3CC3)c21 ZINC000096060884 407232226 /nfs/dbraw/zinc/23/22/26/407232226.db2.gz FGBVZGNXYQOWLF-AWEZNQCLSA-N 1 2 316.409 1.167 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nnn(CC3CC3)c21 ZINC000096060884 407232227 /nfs/dbraw/zinc/23/22/27/407232227.db2.gz FGBVZGNXYQOWLF-AWEZNQCLSA-N 1 2 316.409 1.167 40 0 DDABLO Cc1nc(N2CCOCC2)nc2c1CN(c1cccc[nH+]1)CC2 ZINC000096083689 407236054 /nfs/dbraw/zinc/23/60/54/407236054.db2.gz ZDWZANMCFCJDEW-UHFFFAOYSA-N 1 2 311.389 1.579 40 0 DDABLO CCCS(=O)(=O)N1CC[N@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000065281854 407241112 /nfs/dbraw/zinc/24/11/12/407241112.db2.gz QWEJMXBKZYATML-HNNXBMFYSA-N 1 2 312.435 1.724 40 0 DDABLO CCCS(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000065281854 407241115 /nfs/dbraw/zinc/24/11/15/407241115.db2.gz QWEJMXBKZYATML-HNNXBMFYSA-N 1 2 312.435 1.724 40 0 DDABLO CN1CCN(S(=O)(=O)c2ccccc2)Cc2ccc[nH+]c21 ZINC000096198793 407247751 /nfs/dbraw/zinc/24/77/51/407247751.db2.gz YLBJXQKJFWEWNX-UHFFFAOYSA-N 1 2 303.387 1.722 40 0 DDABLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1 ZINC000096215338 407250800 /nfs/dbraw/zinc/25/08/00/407250800.db2.gz BQHZVIHKZVZBJV-IACUBPJLSA-N 1 2 304.350 1.506 40 0 DDABLO Cc1cc(C[N@H+]2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1 ZINC000096215338 407250802 /nfs/dbraw/zinc/25/08/02/407250802.db2.gz BQHZVIHKZVZBJV-IACUBPJLSA-N 1 2 304.350 1.506 40 0 DDABLO NC(=O)c1cnn2c1nccc2[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221276 407503405 /nfs/dbraw/zinc/50/34/05/407503405.db2.gz DOGQMOCUVIYVSU-GFCCVEGCSA-N 1 2 322.372 1.607 40 0 DDABLO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](Cc2[nH]ncc2C)C1 ZINC000257245033 407516149 /nfs/dbraw/zinc/51/61/49/407516149.db2.gz INVXOTHSNKYGFV-AWEZNQCLSA-N 1 2 315.421 1.958 40 0 DDABLO Cc1nc(N2CCC(C)(c3ncc(C(N)=O)s3)CC2)cc[nH+]1 ZINC000257266740 407525172 /nfs/dbraw/zinc/52/51/72/407525172.db2.gz MEHMGGHQZCUQLP-UHFFFAOYSA-N 1 2 317.418 1.899 40 0 DDABLO CCc1nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc2n1C ZINC000225897759 407613624 /nfs/dbraw/zinc/61/36/24/407613624.db2.gz DMQFBMUWEWNZQD-UHFFFAOYSA-N 1 2 316.405 1.198 40 0 DDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](C(=O)N(C)C)C1 ZINC000248049706 408530451 /nfs/dbraw/zinc/53/04/51/408530451.db2.gz XDPXXMGZKHEJTI-GFCCVEGCSA-N 1 2 305.407 1.293 40 0 DDABLO OCCNc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000328962016 410023285 /nfs/dbraw/zinc/02/32/85/410023285.db2.gz BGOYPKMUVBMINS-UHFFFAOYSA-N 1 2 304.781 1.999 40 0 DDABLO CCNc1nc(NCCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329059553 410079200 /nfs/dbraw/zinc/07/92/00/410079200.db2.gz WHPFUDGBICHGBY-UHFFFAOYSA-N 1 2 320.400 1.864 40 0 DDABLO Cn1cc[nH+]c1CN1CCO[C@H]2[C@H]1CC[C@H]2Cn1cccn1 ZINC000306140626 231089870 /nfs/dbraw/zinc/08/98/70/231089870.db2.gz UZCVUJAHTCHMCG-SQWLQELKSA-N 1 2 301.394 1.296 40 0 DDABLO CN(C)C(=O)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000306144184 231091258 /nfs/dbraw/zinc/09/12/58/231091258.db2.gz YYHULHROHOZPSG-CYBMUJFWSA-N 1 2 304.394 1.656 40 0 DDABLO CN(C)C(=O)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000306144185 231092246 /nfs/dbraw/zinc/09/22/46/231092246.db2.gz YYHULHROHOZPSG-ZDUSSCGKSA-N 1 2 304.394 1.656 40 0 DDABLO COCC(=O)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355358 191128503 /nfs/dbraw/zinc/12/85/03/191128503.db2.gz IZNXAICYSZGMPL-LBPRGKRZSA-N 1 2 301.350 1.015 40 0 DDABLO Cc1nc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)cc(N(C)C)n1 ZINC000072387733 191146282 /nfs/dbraw/zinc/14/62/82/191146282.db2.gz YSWBYXPPXSCZMU-HNNXBMFYSA-N 1 2 306.410 1.403 40 0 DDABLO Cc1nc([C@@H]2C[N@H+](C3CCOCC3)CCO2)cc(N(C)C)n1 ZINC000072387733 191146283 /nfs/dbraw/zinc/14/62/83/191146283.db2.gz YSWBYXPPXSCZMU-HNNXBMFYSA-N 1 2 306.410 1.403 40 0 DDABLO Cc1nc(N2CCO[C@@](CO)(Cc3ccccc3F)C2)cc[nH+]1 ZINC000585276594 354820851 /nfs/dbraw/zinc/82/08/51/354820851.db2.gz QDEWNXWTPNZVNX-KRWDZBQOSA-N 1 2 317.364 1.735 40 0 DDABLO O=S(=O)(NCCc1c[nH+]c[nH]1)c1cccc2cccnc21 ZINC000006622624 181361786 /nfs/dbraw/zinc/36/17/86/181361786.db2.gz BSLZWNBGURVJPZ-UHFFFAOYSA-N 1 2 302.359 1.479 40 0 DDABLO O=S(=O)(NCCc1c[nH]c[nH+]1)c1cccc2cccnc21 ZINC000006622624 181361789 /nfs/dbraw/zinc/36/17/89/181361789.db2.gz BSLZWNBGURVJPZ-UHFFFAOYSA-N 1 2 302.359 1.479 40 0 DDABLO CC(=O)NCc1nccnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000257253407 202985901 /nfs/dbraw/zinc/98/59/01/202985901.db2.gz JYVGACIZZYCHMK-UHFFFAOYSA-N 1 2 314.393 1.215 40 0 DDABLO CNc1cc([C@H]2CCCN2C(=O)CN2CCCC2=O)cc[nH+]1 ZINC000257339303 203060419 /nfs/dbraw/zinc/06/04/19/203060419.db2.gz ZBEJSHYBDJXZHV-CYBMUJFWSA-N 1 2 302.378 1.409 40 0 DDABLO CC(=O)N1CC[N@H+](CCCc2ccccc2)[C@@H](C(=O)N(C)C)C1 ZINC000257342766 203063830 /nfs/dbraw/zinc/06/38/30/203063830.db2.gz ZQBRNTFHYVNUDW-QGZVFWFLSA-N 1 2 317.433 1.240 40 0 DDABLO CC(=O)N1CC[N@@H+](CCCc2ccccc2)[C@@H](C(=O)N(C)C)C1 ZINC000257342766 203063833 /nfs/dbraw/zinc/06/38/33/203063833.db2.gz ZQBRNTFHYVNUDW-QGZVFWFLSA-N 1 2 317.433 1.240 40 0 DDABLO Cc1[nH+]cc(-c2cccc([C@@H]3CCCN3S(C)(=O)=O)n2)n1C ZINC000257343871 203067338 /nfs/dbraw/zinc/06/73/38/203067338.db2.gz ZUSNEEUVJGKVTH-AWEZNQCLSA-N 1 2 320.418 1.887 40 0 DDABLO COc1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000022690007 182331390 /nfs/dbraw/zinc/33/13/90/182331390.db2.gz MDOGOPWVQNNROU-UHFFFAOYSA-N 1 2 322.405 1.085 40 0 DDABLO COc1ccc([C@@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095533841 257137683 /nfs/dbraw/zinc/13/76/83/257137683.db2.gz QNIQQVJYTFZNRW-CQSZACIVSA-N 1 2 314.349 1.115 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072367834 406881652 /nfs/dbraw/zinc/88/16/52/406881652.db2.gz YMCQTFQOGJYVAK-SNVBAGLBSA-N 1 2 318.406 1.341 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072367834 406881654 /nfs/dbraw/zinc/88/16/54/406881654.db2.gz YMCQTFQOGJYVAK-SNVBAGLBSA-N 1 2 318.406 1.341 40 0 DDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cccnc2OC)C1 ZINC000096217134 407251828 /nfs/dbraw/zinc/25/18/28/407251828.db2.gz MAGFRRQMZVTFRP-GFCCVEGCSA-N 1 2 316.361 1.205 40 0 DDABLO O=C1CC[C@@]2(CCC[N@H+](Cc3csnn3)C2)N1CC1CC1 ZINC000096071197 407233916 /nfs/dbraw/zinc/23/39/16/407233916.db2.gz JWPSZTQVIMSVMT-OAHLLOKOSA-N 1 2 306.435 1.905 40 0 DDABLO O=C1CC[C@@]2(CCC[N@@H+](Cc3csnn3)C2)N1CC1CC1 ZINC000096071197 407233918 /nfs/dbraw/zinc/23/39/18/407233918.db2.gz JWPSZTQVIMSVMT-OAHLLOKOSA-N 1 2 306.435 1.905 40 0 DDABLO CNC(=O)[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]1C(=O)N1CCC1 ZINC000096113046 407238331 /nfs/dbraw/zinc/23/83/31/407238331.db2.gz OYGSGWMPOAETEI-LSDHHAIUSA-N 1 2 319.380 1.310 40 0 biogenic,in-vitro DDABLO CNC(=O)[C@@H](c1ccccc1F)[N@H+]1CCC[C@H]1C(=O)N1CCC1 ZINC000096113046 407238333 /nfs/dbraw/zinc/23/83/33/407238333.db2.gz OYGSGWMPOAETEI-LSDHHAIUSA-N 1 2 319.380 1.310 40 0 biogenic,in-vitro DDABLO CN1CCN(S(=O)(=O)c2cccs2)Cc2ccc[nH+]c21 ZINC000096198792 407247306 /nfs/dbraw/zinc/24/73/06/407247306.db2.gz JZZRNSGGUPIJCL-UHFFFAOYSA-N 1 2 309.416 1.784 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2cccnc2OC)Cc2cn(C)nc21 ZINC000096197967 407247881 /nfs/dbraw/zinc/24/78/81/407247881.db2.gz LKKCYUXBUMEEBH-AWEZNQCLSA-N 1 2 302.378 1.570 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2cccnc2OC)Cc2cn(C)nc21 ZINC000096197967 407247885 /nfs/dbraw/zinc/24/78/85/407247885.db2.gz LKKCYUXBUMEEBH-AWEZNQCLSA-N 1 2 302.378 1.570 40 0 DDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000096203054 407249542 /nfs/dbraw/zinc/24/95/42/407249542.db2.gz QOODGSPYCYWVPJ-LBPRGKRZSA-N 1 2 301.437 1.143 40 0 DDABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096203054 407249545 /nfs/dbraw/zinc/24/95/45/407249545.db2.gz QOODGSPYCYWVPJ-LBPRGKRZSA-N 1 2 301.437 1.143 40 0 DDABLO COc1ccc([C@@H]2CN(C(=O)c3cnco3)CC[N@@H+]2C)cc1 ZINC000257219412 407500016 /nfs/dbraw/zinc/50/00/16/407500016.db2.gz DGRGTJBVMBTHGC-AWEZNQCLSA-N 1 2 301.346 1.812 40 0 DDABLO COc1ccc([C@@H]2CN(C(=O)c3cnco3)CC[N@H+]2C)cc1 ZINC000257219412 407500023 /nfs/dbraw/zinc/50/00/23/407500023.db2.gz DGRGTJBVMBTHGC-AWEZNQCLSA-N 1 2 301.346 1.812 40 0 DDABLO CNc1cc([C@H]2CCCN2c2nc(OC)nc(OC)n2)cc[nH+]1 ZINC000257235523 407510993 /nfs/dbraw/zinc/51/09/93/407510993.db2.gz GYEYGLKJGVOEBC-LLVKDONJSA-N 1 2 316.365 1.667 40 0 DDABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)n1 ZINC000257246951 407518324 /nfs/dbraw/zinc/51/83/24/407518324.db2.gz IWRSAIODIHDVMH-HNNXBMFYSA-N 1 2 315.373 1.943 40 0 DDABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)n1 ZINC000257246951 407518327 /nfs/dbraw/zinc/51/83/27/407518327.db2.gz IWRSAIODIHDVMH-HNNXBMFYSA-N 1 2 315.373 1.943 40 0 DDABLO O=C([C@H]1CN(Cc2cccs2)Cc2c[nH+]cn21)N1CCCO1 ZINC000247895724 408514100 /nfs/dbraw/zinc/51/41/00/408514100.db2.gz ZWMZIHPLUKCDTL-CQSZACIVSA-N 1 2 318.402 1.665 40 0 DDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2n[nH]nc2c1 ZINC000131256670 196153820 /nfs/dbraw/zinc/15/38/20/196153820.db2.gz ROGSMROXTJKTAM-CYBMUJFWSA-N 1 2 322.372 1.752 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000067897149 280267406 /nfs/dbraw/zinc/26/74/06/280267406.db2.gz UQZPXCABQFMWJB-CVEARBPZSA-N 1 2 313.357 1.286 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000067897149 280267408 /nfs/dbraw/zinc/26/74/08/280267408.db2.gz UQZPXCABQFMWJB-CVEARBPZSA-N 1 2 313.357 1.286 40 0 biogenic,in-vitro DDABLO COC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225599110 186281330 /nfs/dbraw/zinc/28/13/30/186281330.db2.gz JTYPTOXYRVXEQP-UHFFFAOYSA-N 1 2 322.405 1.761 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccc(F)c(Cl)c1)C2 ZINC000585095000 354804226 /nfs/dbraw/zinc/80/42/26/354804226.db2.gz YSXZAWCCSBDKCK-SNVBAGLBSA-N 1 2 323.755 1.772 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1ccnnc1)[C@H]2C ZINC000585097298 354805411 /nfs/dbraw/zinc/80/54/11/354805411.db2.gz IBUZSOQLSNAGCB-LBPRGKRZSA-N 1 2 315.377 1.469 40 0 DDABLO C[NH+]1CCN(C(=O)CSCC(=O)Nc2ccccc2)CC1 ZINC000031853503 406943249 /nfs/dbraw/zinc/94/32/49/406943249.db2.gz VJMWGLYQUKPJIA-UHFFFAOYSA-N 1 2 307.419 1.132 40 0 DDABLO C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCc1[nH]cc[nH+]1 ZINC000100217316 407307593 /nfs/dbraw/zinc/30/75/93/407307593.db2.gz CVLGOIGGJZRNLX-GDZNZVCISA-N 1 2 324.340 1.113 40 0 DDABLO Cc1cc(C)c(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C ZINC000101370755 407309290 /nfs/dbraw/zinc/30/92/90/407309290.db2.gz BTAKJVVUIDPSCI-UHFFFAOYSA-O 1 2 308.427 1.596 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000107263469 407371819 /nfs/dbraw/zinc/37/18/19/407371819.db2.gz GKSPNUUJJPGMIL-IIAWOOMASA-N 1 2 321.421 1.653 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000107263469 407371820 /nfs/dbraw/zinc/37/18/20/407371820.db2.gz GKSPNUUJJPGMIL-IIAWOOMASA-N 1 2 321.421 1.653 40 0 DDABLO Cc1cccc(C[N@@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257216637 407500754 /nfs/dbraw/zinc/50/07/54/407500754.db2.gz CVMAHUNFPNSCLN-GFCCVEGCSA-N 1 2 320.418 1.506 40 0 DDABLO Cc1cccc(C[N@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257216637 407500761 /nfs/dbraw/zinc/50/07/61/407500761.db2.gz CVMAHUNFPNSCLN-GFCCVEGCSA-N 1 2 320.418 1.506 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cccnc2)[nH+]1 ZINC000257227920 407507691 /nfs/dbraw/zinc/50/76/91/407507691.db2.gz FROIDLOFMHKJQD-CQSZACIVSA-N 1 2 300.362 1.646 40 0 DDABLO COc1cc2c(cc1S(=O)(=O)N1CC[NH+](C)CC1)CCCC2 ZINC000224972454 407578376 /nfs/dbraw/zinc/57/83/76/407578376.db2.gz YMBYLFNFAHUUTM-UHFFFAOYSA-N 1 2 324.446 1.510 40 0 DDABLO Cc1nc(N2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc[nH+]1 ZINC000072369059 191138545 /nfs/dbraw/zinc/13/85/45/191138545.db2.gz UZYHGPNVLDSXFS-LBPRGKRZSA-N 1 2 312.377 1.366 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072382366 191142267 /nfs/dbraw/zinc/14/22/67/191142267.db2.gz FZMUJSGXBJXZAW-GFCCVEGCSA-N 1 2 300.366 1.448 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072382366 191142270 /nfs/dbraw/zinc/14/22/70/191142270.db2.gz FZMUJSGXBJXZAW-GFCCVEGCSA-N 1 2 300.366 1.448 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585276598 354820871 /nfs/dbraw/zinc/82/08/71/354820871.db2.gz QEQYANAZLLMBQL-KRWDZBQOSA-N 1 2 319.380 1.663 40 0 DDABLO CC(C)[NH+]1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381301 359744006 /nfs/dbraw/zinc/74/40/06/359744006.db2.gz GWXXVICDXUYBGX-GOSISDBHSA-N 1 2 315.461 1.666 40 0 biogenic,in-vitro DDABLO CCCCc1[nH]c(CN2CCO[C@@](C)(C(=O)N(C)C)C2)c[nH+]1 ZINC000257270713 203000679 /nfs/dbraw/zinc/00/06/79/203000679.db2.gz MVJGQZOQDGULNP-MRXNPFEDSA-N 1 2 308.426 1.431 40 0 DDABLO CCCCc1[nH]cc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)[nH+]1 ZINC000257270713 203000682 /nfs/dbraw/zinc/00/06/82/203000682.db2.gz MVJGQZOQDGULNP-MRXNPFEDSA-N 1 2 308.426 1.431 40 0 DDABLO Cc1cccc(CN2CCO[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)n1 ZINC000257248865 202981323 /nfs/dbraw/zinc/98/13/23/202981323.db2.gz JFOAVQPOTJSOTA-MRXNPFEDSA-N 1 2 315.421 1.748 40 0 DDABLO CCn1cc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)c(C)n1 ZINC000257300707 203025925 /nfs/dbraw/zinc/02/59/25/203025925.db2.gz RVJPYFAMYYYRLF-ZDUSSCGKSA-N 1 2 301.394 1.883 40 0 DDABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc[nH+]1 ZINC000257301937 203026471 /nfs/dbraw/zinc/02/64/71/203026471.db2.gz SAQPLQKULUFREE-LBPRGKRZSA-N 1 2 321.406 1.383 40 0 DDABLO CNc1cc([C@@H]2CCCN2C(=O)CN2CCCC2=O)cc[nH+]1 ZINC000257339304 203059414 /nfs/dbraw/zinc/05/94/14/203059414.db2.gz ZBEJSHYBDJXZHV-ZDUSSCGKSA-N 1 2 302.378 1.409 40 0 DDABLO Cn1nccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000022239087 182314994 /nfs/dbraw/zinc/31/49/94/182314994.db2.gz XLYZERXGXLPISG-UHFFFAOYSA-N 1 2 302.353 1.517 40 0 DDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cccnc2OC)C1 ZINC000096217133 285312876 /nfs/dbraw/zinc/31/28/76/285312876.db2.gz MAGFRRQMZVTFRP-LBPRGKRZSA-N 1 2 316.361 1.205 40 0 DDABLO OCCCNc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000329001360 257231138 /nfs/dbraw/zinc/23/11/38/257231138.db2.gz KDSXHORFRPYTQG-UHFFFAOYSA-N 1 2 302.353 1.875 40 0 DDABLO [NH3+][C@@H](c1nnc(CCN2CCOCC2)[nH]1)c1ccc(Cl)cc1 ZINC000095533985 407215281 /nfs/dbraw/zinc/21/52/81/407215281.db2.gz IUVZTHAGERCKNA-CQSZACIVSA-N 1 2 321.812 1.381 40 0 DDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@H](COCC3CC3)C2)cn1 ZINC000096060706 407232237 /nfs/dbraw/zinc/23/22/37/407232237.db2.gz XJUYZJBUKDNVGC-AWEZNQCLSA-N 1 2 316.409 1.075 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCC3CC3)C2)cn1 ZINC000096060706 407232238 /nfs/dbraw/zinc/23/22/38/407232238.db2.gz XJUYZJBUKDNVGC-AWEZNQCLSA-N 1 2 316.409 1.075 40 0 DDABLO Cn1cc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cn1 ZINC000096187882 407245520 /nfs/dbraw/zinc/24/55/20/407245520.db2.gz IXAKKVRDIVTBPY-MRXNPFEDSA-N 1 2 315.421 1.675 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cn1 ZINC000096187882 407245522 /nfs/dbraw/zinc/24/55/22/407245522.db2.gz IXAKKVRDIVTBPY-MRXNPFEDSA-N 1 2 315.421 1.675 40 0 DDABLO COCCN1C(=O)CC[C@]12CCC[N@H+](Cc1nccn1C)C2 ZINC000096203174 407249704 /nfs/dbraw/zinc/24/97/04/407249704.db2.gz SERQOWKJDGVIFV-INIZCTEOSA-N 1 2 306.410 1.024 40 0 DDABLO COCCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nccn1C)C2 ZINC000096203174 407249705 /nfs/dbraw/zinc/24/97/05/407249705.db2.gz SERQOWKJDGVIFV-INIZCTEOSA-N 1 2 306.410 1.024 40 0 DDABLO O=C(Cn1cc[nH+]c1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257234910 407509337 /nfs/dbraw/zinc/50/93/37/407509337.db2.gz GVOMTZMVMJDLOH-ZDUSSCGKSA-N 1 2 301.350 1.231 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257248133 407516356 /nfs/dbraw/zinc/51/63/56/407516356.db2.gz JCGAZFUXIINGSE-GFCCVEGCSA-N 1 2 321.812 1.985 40 0 DDABLO Cc1[nH+]c([C@H]2CCN(S(=O)(=O)N(C)C)C2)c2sccn12 ZINC000257247042 407517548 /nfs/dbraw/zinc/51/75/48/407517548.db2.gz IXDCYNKGFIAMMS-JTQLQIEISA-N 1 2 314.436 1.300 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)cs1 ZINC000257248648 407518358 /nfs/dbraw/zinc/51/83/58/407518358.db2.gz JEPSREHLLUUPFJ-KBPBESRZSA-N 1 2 311.451 1.549 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H](O)[C@@H](NC(=O)C(C)C)CC2)cs1 ZINC000257248648 407518362 /nfs/dbraw/zinc/51/83/62/407518362.db2.gz JEPSREHLLUUPFJ-KBPBESRZSA-N 1 2 311.451 1.549 40 0 DDABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)cc[nH+]1 ZINC000257263492 407527215 /nfs/dbraw/zinc/52/72/15/407527215.db2.gz LQDXFNJNQLNDTP-CYBMUJFWSA-N 1 2 313.361 1.208 40 0 DDABLO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCC1)[NH2+]2 ZINC000012357238 278383334 /nfs/dbraw/zinc/38/33/34/278383334.db2.gz MGIJFCZDFQVQKM-UHFFFAOYSA-N 1 2 309.410 1.746 40 0 DDABLO CCCNC(=O)C1=NO[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101172 354807192 /nfs/dbraw/zinc/80/71/92/354807192.db2.gz KXVKDXFJPUMLJI-QGZVFWFLSA-N 1 2 316.405 1.719 40 0 DDABLO CCCNC(=O)C1=NO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101172 354807197 /nfs/dbraw/zinc/80/71/97/354807197.db2.gz KXVKDXFJPUMLJI-QGZVFWFLSA-N 1 2 316.405 1.719 40 0 DDABLO COc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257300690 203025474 /nfs/dbraw/zinc/02/54/74/203025474.db2.gz RVIBLLVRLHCKLP-CYBMUJFWSA-N 1 2 300.366 1.585 40 0 DDABLO COc1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257300690 203025478 /nfs/dbraw/zinc/02/54/78/203025478.db2.gz RVIBLLVRLHCKLP-CYBMUJFWSA-N 1 2 300.366 1.585 40 0 DDABLO COc1ccccc1[C@@H]1CN(CC(=O)N2CCCC2)CC[N@@H+]1C ZINC000257308606 203032687 /nfs/dbraw/zinc/03/26/87/203032687.db2.gz TXIWSQQZOYPGTC-INIZCTEOSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccccc1[C@@H]1CN(CC(=O)N2CCCC2)CC[N@H+]1C ZINC000257308606 203032692 /nfs/dbraw/zinc/03/26/92/203032692.db2.gz TXIWSQQZOYPGTC-INIZCTEOSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccccc1[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000257308606 203032695 /nfs/dbraw/zinc/03/26/95/203032695.db2.gz TXIWSQQZOYPGTC-INIZCTEOSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccccc1[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000257308606 203032699 /nfs/dbraw/zinc/03/26/99/203032699.db2.gz TXIWSQQZOYPGTC-INIZCTEOSA-N 1 2 317.433 1.606 40 0 DDABLO C[N@H+](CC(=O)N1CCCC[C@H]1c1cc[nH]n1)Cc1cccnc1 ZINC000257306475 203033111 /nfs/dbraw/zinc/03/31/11/203033111.db2.gz SUKPUSBONJPMPR-INIZCTEOSA-N 1 2 313.405 1.990 40 0 DDABLO C[N@@H+](CC(=O)N1CCCC[C@H]1c1cc[nH]n1)Cc1cccnc1 ZINC000257306475 203033114 /nfs/dbraw/zinc/03/31/14/203033114.db2.gz SUKPUSBONJPMPR-INIZCTEOSA-N 1 2 313.405 1.990 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257309687 203034134 /nfs/dbraw/zinc/03/41/34/203034134.db2.gz UBYAWFYFNADGLR-CQSZACIVSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257309687 203034136 /nfs/dbraw/zinc/03/41/36/203034136.db2.gz UBYAWFYFNADGLR-CQSZACIVSA-N 1 2 317.418 1.906 40 0 DDABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H](c2cc[nH]n2)C1 ZINC000257309046 203034341 /nfs/dbraw/zinc/03/43/41/203034341.db2.gz TZHVANMVXGPCGE-ZDUSSCGKSA-N 1 2 309.373 1.924 40 0 DDABLO O=C(C[NH+]1CCN(c2ccccc2)CC1)n1nnc2ccccc21 ZINC000001611910 406675727 /nfs/dbraw/zinc/67/57/27/406675727.db2.gz UQEYTCSPDXUYHW-UHFFFAOYSA-N 1 2 321.384 1.894 40 0 DDABLO CC(=O)N(C)Cc1nnc2n1CCC[N@@H+](Cc1cccs1)C2 ZINC000096259624 407257531 /nfs/dbraw/zinc/25/75/31/407257531.db2.gz MEAUSTUFBMKREE-UHFFFAOYSA-N 1 2 319.434 1.724 40 0 DDABLO CC(=O)N(C)Cc1nnc2n1CCC[N@H+](Cc1cccs1)C2 ZINC000096259624 407257533 /nfs/dbraw/zinc/25/75/33/407257533.db2.gz MEAUSTUFBMKREE-UHFFFAOYSA-N 1 2 319.434 1.724 40 0 DDABLO c1cc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)co1 ZINC000096049135 407227045 /nfs/dbraw/zinc/22/70/45/407227045.db2.gz IFJAJLDIICLCSO-QGZVFWFLSA-N 1 2 314.389 1.941 40 0 DDABLO c1cc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)co1 ZINC000096049135 407227047 /nfs/dbraw/zinc/22/70/47/407227047.db2.gz IFJAJLDIICLCSO-QGZVFWFLSA-N 1 2 314.389 1.941 40 0 DDABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2[nH]c(C)c[nH+]2)C1 ZINC000257217707 407501053 /nfs/dbraw/zinc/50/10/53/407501053.db2.gz DAGRYKUUZHNVOF-LBPRGKRZSA-N 1 2 300.428 1.484 40 0 DDABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1F ZINC000329072081 231435741 /nfs/dbraw/zinc/43/57/41/231435741.db2.gz ZUJWWKQKRQFPLQ-UHFFFAOYSA-N 1 2 302.353 1.793 40 0 DDABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CC2)C1 ZINC000585095868 354803830 /nfs/dbraw/zinc/80/38/30/354803830.db2.gz RCJCYEIZFVBUBV-AWEZNQCLSA-N 1 2 304.394 1.483 40 0 DDABLO Cc1nc(N2CC[C@](O)(COc3cccc(F)c3)C2)cc[nH+]1 ZINC000585274931 354819717 /nfs/dbraw/zinc/81/97/17/354819717.db2.gz RTOWYXHDGZWBJL-MRXNPFEDSA-N 1 2 303.337 1.944 40 0 DDABLO Cc1ccccc1C[C@]1(CO)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000585276115 354820258 /nfs/dbraw/zinc/82/02/58/354820258.db2.gz LYXZFWLMAFOLHH-GOSISDBHSA-N 1 2 313.401 1.904 40 0 DDABLO CC(=O)N[C@@H]1CCOC2(CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000257292908 203017901 /nfs/dbraw/zinc/01/79/01/203017901.db2.gz QNLGXTIIAURKFY-CQSZACIVSA-N 1 2 304.394 1.439 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)[nH+]1 ZINC000257329019 203053669 /nfs/dbraw/zinc/05/36/69/203053669.db2.gz XIBBLSWRHSITHY-ZDUSSCGKSA-N 1 2 301.394 1.627 40 0 DDABLO Cc1nc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)co1 ZINC000257319078 203041959 /nfs/dbraw/zinc/04/19/59/203041959.db2.gz VQPHVXJOZJNPGB-MRXNPFEDSA-N 1 2 316.361 1.139 40 0 DDABLO COc1cc2c(cc1OC)C(=O)[C@@H](C[NH+]1CCOCC1)CC2 ZINC000019204616 182107637 /nfs/dbraw/zinc/10/76/37/182107637.db2.gz ACRBJSXDXIFWNE-CYBMUJFWSA-N 1 2 305.374 1.781 40 0 DDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(OC)c2)CC1 ZINC000008558286 406789908 /nfs/dbraw/zinc/78/99/08/406789908.db2.gz PKHLPHMQRVCXTI-UHFFFAOYSA-N 1 2 302.371 1.161 40 0 DDABLO O=C(c1ccco1)N1CCO[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000096248737 407255594 /nfs/dbraw/zinc/25/55/94/407255594.db2.gz RTXKTNJGLKGELC-HIFRSBDPSA-N 1 2 302.330 1.598 40 0 DDABLO O=C(c1ccco1)N1CCO[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096248737 407255597 /nfs/dbraw/zinc/25/55/97/407255597.db2.gz RTXKTNJGLKGELC-HIFRSBDPSA-N 1 2 302.330 1.598 40 0 DDABLO c1cnc(NCc2noc3c2C[N@@H+]([C@@H]2CCOC2)CC3)nc1 ZINC000096259737 407258205 /nfs/dbraw/zinc/25/82/05/407258205.db2.gz XVTOYVOXAGVCMT-LLVKDONJSA-N 1 2 301.350 1.224 40 0 DDABLO c1cnc(NCc2noc3c2C[N@H+]([C@@H]2CCOC2)CC3)nc1 ZINC000096259737 407258206 /nfs/dbraw/zinc/25/82/06/407258206.db2.gz XVTOYVOXAGVCMT-LLVKDONJSA-N 1 2 301.350 1.224 40 0 DDABLO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC000096055817 407229878 /nfs/dbraw/zinc/22/98/78/407229878.db2.gz PRKQOHWMXKDDCG-NEPJUHHUSA-N 1 2 313.448 1.284 40 0 DDABLO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC000096055817 407229879 /nfs/dbraw/zinc/22/98/79/407229879.db2.gz PRKQOHWMXKDDCG-NEPJUHHUSA-N 1 2 313.448 1.284 40 0 DDABLO COC[C@H]1C[N@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096060897 407231689 /nfs/dbraw/zinc/23/16/89/407231689.db2.gz PNSPTNHFLVKICS-OAHLLOKOSA-N 1 2 313.405 1.829 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096060897 407231691 /nfs/dbraw/zinc/23/16/91/407231691.db2.gz PNSPTNHFLVKICS-OAHLLOKOSA-N 1 2 313.405 1.829 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccnnc1 ZINC000096062061 407231872 /nfs/dbraw/zinc/23/18/72/407231872.db2.gz ZKZDUDGSQKJXOK-LBPRGKRZSA-N 1 2 323.360 1.135 40 0 DDABLO c1csc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)n1 ZINC000096185043 407244819 /nfs/dbraw/zinc/24/48/19/407244819.db2.gz MIWLFQLWOSQHRA-ZNMIVQPWSA-N 1 2 324.446 1.786 40 0 DDABLO c1csc(C[N@@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)n1 ZINC000096185043 407244820 /nfs/dbraw/zinc/24/48/20/407244820.db2.gz MIWLFQLWOSQHRA-ZNMIVQPWSA-N 1 2 324.446 1.786 40 0 DDABLO NC(=O)N1Cc2[nH+]ccn2C[C@@H](COCc2cccnc2)C1 ZINC000096188091 407245334 /nfs/dbraw/zinc/24/53/34/407245334.db2.gz BSBJKKWLFJPGCT-CYBMUJFWSA-N 1 2 301.350 1.005 40 0 DDABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)c1 ZINC000107263254 407371569 /nfs/dbraw/zinc/37/15/69/407371569.db2.gz NRFKAVXVQRKHKC-OWCLPIDISA-N 1 2 304.390 1.373 40 0 DDABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)c1 ZINC000107263254 407371570 /nfs/dbraw/zinc/37/15/70/407371570.db2.gz NRFKAVXVQRKHKC-OWCLPIDISA-N 1 2 304.390 1.373 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257201535 407490421 /nfs/dbraw/zinc/49/04/21/407490421.db2.gz AHZSAHGQCPQCNK-ZDUSSCGKSA-N 1 2 303.366 1.132 40 0 DDABLO CCc1noc(CCC(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257213241 407498170 /nfs/dbraw/zinc/49/81/70/407498170.db2.gz CGSXZWLGRNRZCM-LBPRGKRZSA-N 1 2 317.393 1.623 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2c(C)noc2C)[nH+]1 ZINC000257223911 407504002 /nfs/dbraw/zinc/50/40/02/407504002.db2.gz DZMBFVLHQVPNRH-CYBMUJFWSA-N 1 2 304.350 1.466 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccccc2C)[nH+]1 ZINC000257236245 407511256 /nfs/dbraw/zinc/51/12/56/407511256.db2.gz HBILNODLDRLJBL-ZDUSSCGKSA-N 1 2 321.402 1.789 40 0 DDABLO Cc1nc(CC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cs1 ZINC000257257315 407523811 /nfs/dbraw/zinc/52/38/11/407523811.db2.gz KPAFFVYERGEWLP-UMVBOHGHSA-N 1 2 320.418 1.461 40 0 DDABLO c1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)nc1 ZINC000329010070 410048162 /nfs/dbraw/zinc/04/81/62/410048162.db2.gz LYQZILGWBRRNNK-UHFFFAOYSA-N 1 2 318.384 1.964 40 0 DDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccc2n[nH]nc2c1 ZINC000131256474 196154509 /nfs/dbraw/zinc/15/45/09/196154509.db2.gz ROGSMROXTJKTAM-ZDUSSCGKSA-N 1 2 322.372 1.752 40 0 DDABLO COc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1OC ZINC000408574251 418809822 /nfs/dbraw/zinc/80/98/22/418809822.db2.gz LHNRMPOKFUQEDX-UHFFFAOYSA-N 1 2 310.419 1.301 40 0 DDABLO O=C(c1n[nH]c2c1C[N@@H+](C1CCOCC1)CC2)N1CCCC1 ZINC000096187393 280239660 /nfs/dbraw/zinc/23/96/60/280239660.db2.gz MICDMVOTUGBHPT-UHFFFAOYSA-N 1 2 304.394 1.183 40 0 DDABLO O=C(c1n[nH]c2c1C[N@H+](C1CCOCC1)CC2)N1CCCC1 ZINC000096187393 280239662 /nfs/dbraw/zinc/23/96/62/280239662.db2.gz MICDMVOTUGBHPT-UHFFFAOYSA-N 1 2 304.394 1.183 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](Cc1ccsc1)C2 ZINC000585110919 354809104 /nfs/dbraw/zinc/80/91/04/354809104.db2.gz ZDRPCKNDDSNDKX-ZDUSSCGKSA-N 1 2 316.430 1.813 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](Cc1ccsc1)C2 ZINC000585110919 354809105 /nfs/dbraw/zinc/80/91/05/354809105.db2.gz ZDRPCKNDDSNDKX-ZDUSSCGKSA-N 1 2 316.430 1.813 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1ccco1)C2 ZINC000585110808 354809519 /nfs/dbraw/zinc/80/95/19/354809519.db2.gz JFVRUINAIRSMED-CYBMUJFWSA-N 1 2 300.362 1.345 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1ccco1)C2 ZINC000585110808 354809523 /nfs/dbraw/zinc/80/95/23/354809523.db2.gz JFVRUINAIRSMED-CYBMUJFWSA-N 1 2 300.362 1.345 40 0 DDABLO O[C@]1(COc2ccc(F)cc2)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275133 354819704 /nfs/dbraw/zinc/81/97/04/354819704.db2.gz XWXJZTWTFDFZCD-MRXNPFEDSA-N 1 2 305.353 1.955 40 0 DDABLO O[C@]1(COc2ccc(F)cc2)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275133 354819707 /nfs/dbraw/zinc/81/97/07/354819707.db2.gz XWXJZTWTFDFZCD-MRXNPFEDSA-N 1 2 305.353 1.955 40 0 DDABLO Cc1cc(N2CCO[C@](CO)(Cc3ccccc3C)C2)nc[nH+]1 ZINC000585277940 354821514 /nfs/dbraw/zinc/82/15/14/354821514.db2.gz ZBCDKBFYYQLZAY-GOSISDBHSA-N 1 2 313.401 1.904 40 0 DDABLO O[C@@]1(COc2ccccc2)COCCN(Cc2[nH]cc[nH+]2)C1 ZINC000585278046 354821577 /nfs/dbraw/zinc/82/15/77/354821577.db2.gz ZDXSPEJDQHAGCD-MRXNPFEDSA-N 1 2 303.362 1.052 40 0 DDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCC3CC3)C2)nc[nH+]1 ZINC000257282390 203010135 /nfs/dbraw/zinc/01/01/35/203010135.db2.gz OTONGMMMESPQAP-KRWDZBQOSA-N 1 2 317.437 1.675 40 0 DDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCC3CC3)C2)[nH+]cn1 ZINC000257282390 203010138 /nfs/dbraw/zinc/01/01/38/203010138.db2.gz OTONGMMMESPQAP-KRWDZBQOSA-N 1 2 317.437 1.675 40 0 DDABLO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020347361 182210393 /nfs/dbraw/zinc/21/03/93/182210393.db2.gz NXJMPLSHDSOLII-IOASZLSFSA-N 1 2 307.390 1.738 40 0 DDABLO COC(=O)[C@H]1CC(=O)N(c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000045957873 407051762 /nfs/dbraw/zinc/05/17/62/407051762.db2.gz NROGTTDNFQSLFM-AWEZNQCLSA-N 1 2 318.373 1.045 40 0 DDABLO c1coc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226506 407254375 /nfs/dbraw/zinc/25/43/75/407254375.db2.gz XNIIRZRBPMGPOA-QGZVFWFLSA-N 1 2 314.389 1.941 40 0 DDABLO c1coc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226506 407254378 /nfs/dbraw/zinc/25/43/78/407254378.db2.gz XNIIRZRBPMGPOA-QGZVFWFLSA-N 1 2 314.389 1.941 40 0 DDABLO c1cnc(N2CCOC3(CCN(c4cccc[nH+]4)CC3)C2)nc1 ZINC000096159027 407241380 /nfs/dbraw/zinc/24/13/80/407241380.db2.gz WMPGGEIFAKCROO-UHFFFAOYSA-N 1 2 311.389 1.747 40 0 DDABLO c1cn2c([nH+]1)CN(Cc1ccccn1)C[C@@H](Cn1cncn1)C2 ZINC000096188618 407245659 /nfs/dbraw/zinc/24/56/59/407245659.db2.gz VIZPRZITKYRZRF-CQSZACIVSA-N 1 2 309.377 1.202 40 0 DDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccsc2)C1 ZINC000096187767 407246087 /nfs/dbraw/zinc/24/60/87/407246087.db2.gz ZCHXJGSFYDIWHH-ZDUSSCGKSA-N 1 2 305.403 1.792 40 0 DDABLO C[C@H]1C[C@H]1NC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096469908 407270143 /nfs/dbraw/zinc/27/01/43/407270143.db2.gz MISBPLBNETWOBD-RKTXRCNFSA-N 1 2 315.417 1.690 40 0 DDABLO C[C@H]1C[C@H]1NC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096469908 407270144 /nfs/dbraw/zinc/27/01/44/407270144.db2.gz MISBPLBNETWOBD-RKTXRCNFSA-N 1 2 315.417 1.690 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2C[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000107798395 407379962 /nfs/dbraw/zinc/37/99/62/407379962.db2.gz MELNVZCADVRWRF-TZMCWYRMSA-N 1 2 300.387 1.495 40 0 DDABLO O=C(c1cscn1)N1C[C@H]2C[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000107798395 407379964 /nfs/dbraw/zinc/37/99/64/407379964.db2.gz MELNVZCADVRWRF-TZMCWYRMSA-N 1 2 300.387 1.495 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000107798398 407380078 /nfs/dbraw/zinc/38/00/78/407380078.db2.gz MELNVZCADVRWRF-GXTWGEPZSA-N 1 2 300.387 1.495 40 0 DDABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000107798398 407380079 /nfs/dbraw/zinc/38/00/79/407380079.db2.gz MELNVZCADVRWRF-GXTWGEPZSA-N 1 2 300.387 1.495 40 0 DDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@H](O)CC2)cn1 ZINC000257219407 407499955 /nfs/dbraw/zinc/49/99/55/407499955.db2.gz DGRDTACMZGZTNC-AWEZNQCLSA-N 1 2 314.389 1.817 40 0 DDABLO C[C@]1(c2ncc(CNC(=O)Cn3cc[nH+]c3)cn2)CCCCO1 ZINC000257231395 407506530 /nfs/dbraw/zinc/50/65/30/407506530.db2.gz GGNCNUNQUUEHCW-MRXNPFEDSA-N 1 2 315.377 1.405 40 0 DDABLO Cc1noc(C)c1C(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257248092 407518099 /nfs/dbraw/zinc/51/80/99/407518099.db2.gz JCAYZCZVPXBTOL-MRXNPFEDSA-N 1 2 316.361 1.058 40 0 DDABLO O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000218761334 407522418 /nfs/dbraw/zinc/52/24/18/407522418.db2.gz YKOSPCOYFDYYTE-OAHLLOKOSA-N 1 2 323.356 1.652 40 0 DDABLO O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000218761334 407522423 /nfs/dbraw/zinc/52/24/23/407522423.db2.gz YKOSPCOYFDYYTE-OAHLLOKOSA-N 1 2 323.356 1.652 40 0 DDABLO CNC(=O)[C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000247927598 408516036 /nfs/dbraw/zinc/51/60/36/408516036.db2.gz FAOYOIFZJZFQHT-QGZVFWFLSA-N 1 2 321.384 1.734 40 0 DDABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccccn1)CC2 ZINC000019401895 280392851 /nfs/dbraw/zinc/39/28/51/280392851.db2.gz UOQBMOCUWZMKKO-UHFFFAOYSA-N 1 2 312.398 1.911 40 0 DDABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccccn1)CC2 ZINC000019401895 280392852 /nfs/dbraw/zinc/39/28/52/280392852.db2.gz UOQBMOCUWZMKKO-UHFFFAOYSA-N 1 2 312.398 1.911 40 0 DDABLO CC[C@H](Oc1ccc(C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000008041075 352129651 /nfs/dbraw/zinc/12/96/51/352129651.db2.gz ZOKXUVARCGJVOU-INIZCTEOSA-N 1 2 306.406 1.601 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2sccc2C)Cc2ccnn21 ZINC000585111509 354809637 /nfs/dbraw/zinc/80/96/37/354809637.db2.gz CISIGUAUWONFQE-ZDUSSCGKSA-N 1 2 304.419 1.946 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2sccc2C)Cc2ccnn21 ZINC000585111509 354809639 /nfs/dbraw/zinc/80/96/39/354809639.db2.gz CISIGUAUWONFQE-ZDUSSCGKSA-N 1 2 304.419 1.946 40 0 DDABLO Cc1ccccc1C[C@@]1(CO)CN(c2cc[nH+]c(C)n2)CCO1 ZINC000585276117 354820476 /nfs/dbraw/zinc/82/04/76/354820476.db2.gz LYXZFWLMAFOLHH-SFHVURJKSA-N 1 2 313.401 1.904 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257308602 203032126 /nfs/dbraw/zinc/03/21/26/203032126.db2.gz TXIUDHVAMIVQCJ-GFCCVEGCSA-N 1 2 320.418 1.667 40 0 DDABLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1 ZINC000257280581 203008914 /nfs/dbraw/zinc/00/89/14/203008914.db2.gz OLLMFFRNSSYJTJ-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1ccc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1 ZINC000257280581 203008916 /nfs/dbraw/zinc/00/89/16/203008916.db2.gz OLLMFFRNSSYJTJ-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257331509 203054757 /nfs/dbraw/zinc/05/47/57/203054757.db2.gz XTDPIUCGMUBCFR-ZDUSSCGKSA-N 1 2 300.366 1.173 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257331004 203055178 /nfs/dbraw/zinc/05/51/78/203055178.db2.gz XQZHRFMPFKVJOZ-CQSZACIVSA-N 1 2 301.394 1.558 40 0 DDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccon1 ZINC000257342855 203065318 /nfs/dbraw/zinc/06/53/18/203065318.db2.gz ZQJPSPPMAXTAGK-INIZCTEOSA-N 1 2 316.361 1.173 40 0 DDABLO CCC(=O)N1CC[NH+](Cc2cc(-c3ccncc3)nn2C)CC1 ZINC000019498943 182125931 /nfs/dbraw/zinc/12/59/31/182125931.db2.gz JGGJMINJUUZBJU-UHFFFAOYSA-N 1 2 313.405 1.536 40 0 DDABLO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223678 257123353 /nfs/dbraw/zinc/12/33/53/257123353.db2.gz GDMQRLFMEOJKKF-UHFFFAOYSA-N 1 2 309.369 1.899 40 0 DDABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)c1 ZINC000328955777 533592738 /nfs/dbraw/zinc/59/27/38/533592738.db2.gz ACLWYOHCMHZITO-UHFFFAOYSA-N 1 2 314.389 1.744 40 0 DDABLO CCOC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347626 406881638 /nfs/dbraw/zinc/88/16/38/406881638.db2.gz JOOHKJIFISEBIC-GFCCVEGCSA-N 1 2 318.373 1.553 40 0 DDABLO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000045973515 407052228 /nfs/dbraw/zinc/05/22/28/407052228.db2.gz BVZHPJDIZMAKTG-LBPRGKRZSA-N 1 2 312.797 1.556 40 0 DDABLO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246496 407255727 /nfs/dbraw/zinc/25/57/27/407255727.db2.gz GYVGXSCTKJCSOS-KFWWJZLASA-N 1 2 322.430 1.452 40 0 DDABLO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246496 407255729 /nfs/dbraw/zinc/25/57/29/407255729.db2.gz GYVGXSCTKJCSOS-KFWWJZLASA-N 1 2 322.430 1.452 40 0 DDABLO O=C(CC1CCCC1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246506 407256534 /nfs/dbraw/zinc/25/65/34/407256534.db2.gz NVVOWUOJXMESTH-ZACQAIPSSA-N 1 2 322.449 1.657 40 0 DDABLO O=C(CC1CCCC1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246506 407256538 /nfs/dbraw/zinc/25/65/38/407256538.db2.gz NVVOWUOJXMESTH-ZACQAIPSSA-N 1 2 322.449 1.657 40 0 DDABLO O=C(NCC1CC1)[C@@H]1Cn2nccc2C[N@H+](Cc2ccco2)C1 ZINC000096044180 407226322 /nfs/dbraw/zinc/22/63/22/407226322.db2.gz YJQPEFSJGHVAEI-AWEZNQCLSA-N 1 2 314.389 1.634 40 0 DDABLO O=C(NCC1CC1)[C@@H]1Cn2nccc2C[N@@H+](Cc2ccco2)C1 ZINC000096044180 407226324 /nfs/dbraw/zinc/22/63/24/407226324.db2.gz YJQPEFSJGHVAEI-AWEZNQCLSA-N 1 2 314.389 1.634 40 0 DDABLO O=C(c1ccccn1)N1CCC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096048582 407227454 /nfs/dbraw/zinc/22/74/54/407227454.db2.gz LQOHZPPQJKHWBY-YOEHRIQHSA-N 1 2 312.373 1.915 40 0 DDABLO CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000257264479 407527645 /nfs/dbraw/zinc/52/76/45/407527645.db2.gz LUNVIHRIWQQTTP-ZIAGYGMSSA-N 1 2 324.446 1.389 40 0 DDABLO Cc1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F ZINC000138910311 408167749 /nfs/dbraw/zinc/16/77/49/408167749.db2.gz GVOQARWMFYFMJD-WDEREUQCSA-N 1 2 300.380 1.788 40 0 DDABLO O=C(c1ccco1)N1CCO[C@@H]2[C@H](Cn3cc[nH+]c3)CC[C@@H]21 ZINC000247801453 408510479 /nfs/dbraw/zinc/51/04/79/408510479.db2.gz GCQLMOKMECMKOJ-KCQAQPDRSA-N 1 2 301.346 1.796 40 0 DDABLO CNc1nc(NCCc2ccncc2)cc(-c2ccncc2)[nH+]1 ZINC000329033262 410063707 /nfs/dbraw/zinc/06/37/07/410063707.db2.gz QSGLDGNHMYCFIV-UHFFFAOYSA-N 1 2 306.373 1.474 40 0 DDABLO O=C1NCC[C@@]12C[N@@H+](Cc1ccc(CO)cc1)CC(F)(F)C2 ZINC000585093214 483921488 /nfs/dbraw/zinc/92/14/88/483921488.db2.gz JNNCDIVDSXICSM-OAHLLOKOSA-N 1 2 310.344 1.526 40 0 DDABLO O=C1NCC[C@@]12C[N@H+](Cc1ccc(CO)cc1)CC(F)(F)C2 ZINC000585093214 483921493 /nfs/dbraw/zinc/92/14/93/483921493.db2.gz JNNCDIVDSXICSM-OAHLLOKOSA-N 1 2 310.344 1.526 40 0 DDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)no1 ZINC000585094842 354803561 /nfs/dbraw/zinc/80/35/61/354803561.db2.gz PJAJNBWYVHJHFW-NSHDSACASA-N 1 2 304.350 1.320 40 0 DDABLO CCOCc1nnc2n1CC[N@@H+](Cc1cc(C)[nH]n1)[C@H](C)C2 ZINC000585098233 354806338 /nfs/dbraw/zinc/80/63/38/354806338.db2.gz SKNBDDHHFYSICV-GFCCVEGCSA-N 1 2 304.398 1.293 40 0 DDABLO CCOCc1nnc2n1CC[N@H+](Cc1cc(C)[nH]n1)[C@H](C)C2 ZINC000585098233 354806344 /nfs/dbraw/zinc/80/63/44/354806344.db2.gz SKNBDDHHFYSICV-GFCCVEGCSA-N 1 2 304.398 1.293 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257275839 203004597 /nfs/dbraw/zinc/00/45/97/203004597.db2.gz NREFGJUBQFXCDL-GFCCVEGCSA-N 1 2 323.422 1.328 40 0 DDABLO CC(=O)N1CCC[N@H+](Cc2cnc([C@@H]3CCCCO3)nc2)CC1 ZINC000257299270 203023847 /nfs/dbraw/zinc/02/38/47/203023847.db2.gz RPJKQGUXQVYVSJ-INIZCTEOSA-N 1 2 318.421 1.772 40 0 DDABLO CC(=O)N1CCC[N@@H+](Cc2cnc([C@@H]3CCCCO3)nc2)CC1 ZINC000257299270 203023851 /nfs/dbraw/zinc/02/38/51/203023851.db2.gz RPJKQGUXQVYVSJ-INIZCTEOSA-N 1 2 318.421 1.772 40 0 DDABLO Cc1ccncc1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257320461 203044597 /nfs/dbraw/zinc/04/45/97/203044597.db2.gz VWXRCBPRFXRFMA-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1ccncc1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257320461 203044600 /nfs/dbraw/zinc/04/46/00/203044600.db2.gz VWXRCBPRFXRFMA-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO CC(=O)N1CC[N@H+](CCCc2ccccc2)[C@H](C(=O)N(C)C)C1 ZINC000257342765 203064763 /nfs/dbraw/zinc/06/47/63/203064763.db2.gz ZQBRNTFHYVNUDW-KRWDZBQOSA-N 1 2 317.433 1.240 40 0 DDABLO CC(=O)N1CC[N@@H+](CCCc2ccccc2)[C@H](C(=O)N(C)C)C1 ZINC000257342765 203064767 /nfs/dbraw/zinc/06/47/67/203064767.db2.gz ZQBRNTFHYVNUDW-KRWDZBQOSA-N 1 2 317.433 1.240 40 0 DDABLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000019293957 182113576 /nfs/dbraw/zinc/11/35/76/182113576.db2.gz XVSBDUUMWODMKE-GFCCVEGCSA-N 1 2 316.336 1.192 40 0 DDABLO CC[C@H](Oc1cccc(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000022526015 182325098 /nfs/dbraw/zinc/32/50/98/182325098.db2.gz CJLYZQCDOQMSQZ-INIZCTEOSA-N 1 2 306.406 1.601 40 0 DDABLO COCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1OC ZINC000012221710 406839169 /nfs/dbraw/zinc/83/91/69/406839169.db2.gz QYQRMBBWRXWZLS-AWEZNQCLSA-N 1 2 319.361 1.289 40 0 DDABLO Oc1ccc(-c2n[nH]c(=S)n2CC[NH+]2CCOCC2)cc1 ZINC000013533896 406863091 /nfs/dbraw/zinc/86/30/91/406863091.db2.gz JPQWVAZHWMTJMI-UHFFFAOYSA-N 1 2 306.391 1.645 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cn1 ZINC000096041681 407225053 /nfs/dbraw/zinc/22/50/53/407225053.db2.gz OTDKTOZUBOVVKM-GVDBMIGSSA-N 1 2 314.389 1.626 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cn1 ZINC000096041681 407225054 /nfs/dbraw/zinc/22/50/54/407225054.db2.gz OTDKTOZUBOVVKM-GVDBMIGSSA-N 1 2 314.389 1.626 40 0 DDABLO COC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096044762 407226061 /nfs/dbraw/zinc/22/60/61/407226061.db2.gz DLRDBNWCPSSSRU-LBPRGKRZSA-N 1 2 300.362 1.130 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccco2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000096185136 407244232 /nfs/dbraw/zinc/24/42/32/407244232.db2.gz ALTPBYCBGPNQHG-RBSFLKMASA-N 1 2 318.398 1.970 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccco2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000096185136 407244233 /nfs/dbraw/zinc/24/42/33/407244233.db2.gz ALTPBYCBGPNQHG-RBSFLKMASA-N 1 2 318.398 1.970 40 0 DDABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cc(C)no2)C1 ZINC000096206585 407249304 /nfs/dbraw/zinc/24/93/04/407249304.db2.gz XRDWWLJHHWPBSU-GFCCVEGCSA-N 1 2 304.350 1.488 40 0 DDABLO CN(C)c1cccc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257234701 407510666 /nfs/dbraw/zinc/51/06/66/407510666.db2.gz GUTMOAIHBJWOHP-CQSZACIVSA-N 1 2 301.394 1.455 40 0 DDABLO CCc1noc(CCC(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257252965 407520497 /nfs/dbraw/zinc/52/04/97/407520497.db2.gz JWYADRRYTCSBBL-LLVKDONJSA-N 1 2 303.366 1.612 40 0 DDABLO CCn1cc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c(C)n1 ZINC000257263015 407526299 /nfs/dbraw/zinc/52/62/99/407526299.db2.gz LNZODJAEZCYCIZ-ZDUSSCGKSA-N 1 2 303.366 1.457 40 0 DDABLO OC1(C[N@@H+]2Cc3nccn3C[C@H]2c2ccccc2)CCOCC1 ZINC000257316226 407533124 /nfs/dbraw/zinc/53/31/24/407533124.db2.gz VERAVKGSNFXPIM-INIZCTEOSA-N 1 2 313.401 1.982 40 0 DDABLO OC1(C[N@H+]2Cc3nccn3C[C@H]2c2ccccc2)CCOCC1 ZINC000257316226 407533130 /nfs/dbraw/zinc/53/31/30/407533130.db2.gz VERAVKGSNFXPIM-INIZCTEOSA-N 1 2 313.401 1.982 40 0 DDABLO COCC(=O)N1Cc2c[nH+]cn2[C@@H](COc2ncccc2F)C1 ZINC000247826914 408512397 /nfs/dbraw/zinc/51/23/97/408512397.db2.gz JPNWFFCQJDARFE-GFCCVEGCSA-N 1 2 320.324 1.026 40 0 DDABLO COCC(=O)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355359 191128810 /nfs/dbraw/zinc/12/88/10/191128810.db2.gz IZNXAICYSZGMPL-GFCCVEGCSA-N 1 2 301.350 1.015 40 0 DDABLO OCC(CO)[N@@H+]1CCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000072384861 191144488 /nfs/dbraw/zinc/14/44/88/191144488.db2.gz PJQCGKBXMYFHOH-CYBMUJFWSA-N 1 2 320.418 1.772 40 0 DDABLO OCC(CO)[N@H+]1CCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000072384861 191144491 /nfs/dbraw/zinc/14/44/91/191144491.db2.gz PJQCGKBXMYFHOH-CYBMUJFWSA-N 1 2 320.418 1.772 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccc(C)nc1)[C@@H]2C ZINC000585097544 354805458 /nfs/dbraw/zinc/80/54/58/354805458.db2.gz LMABFDFVFXXTHI-CYBMUJFWSA-N 1 2 314.389 1.992 40 0 DDABLO Cc1ccc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)cn1 ZINC000257280582 203007480 /nfs/dbraw/zinc/00/74/80/203007480.db2.gz OLLMFFRNSSYJTJ-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1ccc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)cn1 ZINC000257280582 203007483 /nfs/dbraw/zinc/00/74/83/203007483.db2.gz OLLMFFRNSSYJTJ-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257329021 203052533 /nfs/dbraw/zinc/05/25/33/203052533.db2.gz XIBGICIXFHWNEK-LBPRGKRZSA-N 1 2 323.422 1.030 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccoc1 ZINC000096062097 193513793 /nfs/dbraw/zinc/51/37/93/193513793.db2.gz BKBRQYBINRDNAO-NSHDSACASA-N 1 2 312.333 1.333 40 0 DDABLO Cc1cnn(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000019239957 182112030 /nfs/dbraw/zinc/11/20/30/182112030.db2.gz JYGNDLWZGGHVBR-UHFFFAOYSA-N 1 2 314.389 1.662 40 0 DDABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000043286430 183350517 /nfs/dbraw/zinc/35/05/17/183350517.db2.gz SCZUBDWOZANWEZ-SFHVURJKSA-N 1 2 316.445 1.945 40 0 DDABLO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)N1c1cccnc1 ZINC000503858924 257163824 /nfs/dbraw/zinc/16/38/24/257163824.db2.gz MIGPOTQFHMZTRQ-OLZOCXBDSA-N 1 2 300.387 1.918 40 0 DDABLO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)N1c1cccnc1 ZINC000503858924 257163826 /nfs/dbraw/zinc/16/38/26/257163826.db2.gz MIGPOTQFHMZTRQ-OLZOCXBDSA-N 1 2 300.387 1.918 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096219332 407251670 /nfs/dbraw/zinc/25/16/70/407251670.db2.gz OTZXIKGJZVAACH-XJKSGUPXSA-N 1 2 314.393 1.056 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096219332 407251672 /nfs/dbraw/zinc/25/16/72/407251672.db2.gz OTZXIKGJZVAACH-XJKSGUPXSA-N 1 2 314.393 1.056 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253162 407257549 /nfs/dbraw/zinc/25/75/49/407257549.db2.gz DGUFJGUDAXPWRP-IJEWVQPXSA-N 1 2 319.405 1.503 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253162 407257551 /nfs/dbraw/zinc/25/75/51/407257551.db2.gz DGUFJGUDAXPWRP-IJEWVQPXSA-N 1 2 319.405 1.503 40 0 DDABLO COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096044757 407226144 /nfs/dbraw/zinc/22/61/44/407226144.db2.gz PQZKKFDAICGNJQ-CYBMUJFWSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044757 407226147 /nfs/dbraw/zinc/22/61/47/407226147.db2.gz PQZKKFDAICGNJQ-CYBMUJFWSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044757 407226149 /nfs/dbraw/zinc/22/61/49/407226149.db2.gz PQZKKFDAICGNJQ-CYBMUJFWSA-N 1 2 315.373 1.895 40 0 DDABLO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC)c1ccccc1OC ZINC000096113100 407239042 /nfs/dbraw/zinc/23/90/42/407239042.db2.gz ZZMFXBNAROQIBL-DZGCQCFKSA-N 1 2 319.405 1.083 40 0 biogenic,in-vitro DDABLO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC)c1ccccc1OC ZINC000096113100 407239043 /nfs/dbraw/zinc/23/90/43/407239043.db2.gz ZZMFXBNAROQIBL-DZGCQCFKSA-N 1 2 319.405 1.083 40 0 biogenic,in-vitro DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccco2)[C@@H]2COC[C@H]12)c1cscn1 ZINC000096185142 407245040 /nfs/dbraw/zinc/24/50/40/407245040.db2.gz AKCUVOGQNPSPCZ-YRGRVCCFSA-N 1 2 319.386 1.365 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccco2)[C@@H]2COC[C@H]12)c1cscn1 ZINC000096185142 407245042 /nfs/dbraw/zinc/24/50/42/407245042.db2.gz AKCUVOGQNPSPCZ-YRGRVCCFSA-N 1 2 319.386 1.365 40 0 DDABLO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2C)C1 ZINC000257224575 407502627 /nfs/dbraw/zinc/50/26/27/407502627.db2.gz FCJJAAIVXTYXSG-CYBMUJFWSA-N 1 2 301.394 1.883 40 0 DDABLO CC(C)OC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000225497194 407591457 /nfs/dbraw/zinc/59/14/57/407591457.db2.gz GEBZFTUTMRCNCV-UHFFFAOYSA-N 1 2 307.394 1.578 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257234311 407511016 /nfs/dbraw/zinc/51/10/16/407511016.db2.gz GSYXWSAILZPYGR-GFCCVEGCSA-N 1 2 310.361 1.401 40 0 DDABLO CNc1nc(NCCc2ccncc2)cc(-c2cccnc2)[nH+]1 ZINC000329029081 410061528 /nfs/dbraw/zinc/06/15/28/410061528.db2.gz PWZPVCAIARTFOC-UHFFFAOYSA-N 1 2 306.373 1.474 40 0 DDABLO Cn1nccc1C[N@@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000072339822 191125841 /nfs/dbraw/zinc/12/58/41/191125841.db2.gz LRKYWLVHGJVQST-UHFFFAOYSA-N 1 2 322.372 1.536 40 0 DDABLO Cn1nccc1C[N@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000072339822 191125844 /nfs/dbraw/zinc/12/58/44/191125844.db2.gz LRKYWLVHGJVQST-UHFFFAOYSA-N 1 2 322.372 1.536 40 0 DDABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)COC)n1 ZINC000072378465 191140322 /nfs/dbraw/zinc/14/03/22/191140322.db2.gz ROUKLMUYFVCXRX-CYBMUJFWSA-N 1 2 315.377 1.535 40 0 DDABLO Cn1cc(C[N@H+]2Cc3cccn3C[C@H](Oc3ncccn3)C2)cn1 ZINC000585112699 354810519 /nfs/dbraw/zinc/81/05/19/354810519.db2.gz TVEDBYOAZUMLHW-MRXNPFEDSA-N 1 2 324.388 1.475 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3cccn3C[C@H](Oc3ncccn3)C2)cn1 ZINC000585112699 354810521 /nfs/dbraw/zinc/81/05/21/354810521.db2.gz TVEDBYOAZUMLHW-MRXNPFEDSA-N 1 2 324.388 1.475 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)[nH+]1 ZINC000257295039 203021805 /nfs/dbraw/zinc/02/18/05/203021805.db2.gz QWRHETXGJYOLJX-ZDUSSCGKSA-N 1 2 320.418 1.692 40 0 DDABLO CN1C(=O)CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC000257298933 203022135 /nfs/dbraw/zinc/02/21/35/203022135.db2.gz RNYDZMZNSZQGAT-HUUCEWRRSA-N 1 2 318.421 1.523 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257321947 203047904 /nfs/dbraw/zinc/04/79/04/203047904.db2.gz WDZOSXKAMNTWBC-OAHLLOKOSA-N 1 2 300.366 1.173 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257321947 203047908 /nfs/dbraw/zinc/04/79/08/203047908.db2.gz WDZOSXKAMNTWBC-OAHLLOKOSA-N 1 2 300.366 1.173 40 0 DDABLO CC(=O)c1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000016191326 182036370 /nfs/dbraw/zinc/03/63/70/182036370.db2.gz ZCUROKVCFYDKGS-UHFFFAOYSA-N 1 2 307.419 1.508 40 0 DDABLO O=C(NCCCn1cc[nH+]c1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937322 182167064 /nfs/dbraw/zinc/16/70/64/182167064.db2.gz QQYXSLQGHPNXHF-UHFFFAOYSA-N 1 2 323.356 1.454 40 0 DDABLO O=C([C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038864 256552183 /nfs/dbraw/zinc/55/21/83/256552183.db2.gz FPCFDPQLGSQKAQ-BFHYXJOUSA-N 1 2 321.446 1.602 40 0 DDABLO O=C([C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038864 256552184 /nfs/dbraw/zinc/55/21/84/256552184.db2.gz FPCFDPQLGSQKAQ-BFHYXJOUSA-N 1 2 321.446 1.602 40 0 DDABLO C[NH+]1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 ZINC000000800698 406658293 /nfs/dbraw/zinc/65/82/93/406658293.db2.gz RHHLREHCUXPHCJ-UHFFFAOYSA-N 1 2 308.769 1.565 40 0 DDABLO Cc1nnc(SCc2ccccn2)n1CC[NH+]1CCOCC1 ZINC000026521346 406906206 /nfs/dbraw/zinc/90/62/06/406906206.db2.gz SHPKTVQRSYXXEE-UHFFFAOYSA-N 1 2 319.434 1.606 40 0 DDABLO S=C(NCC[NH+]1CCOCC1)Nc1cccnc1Cl ZINC000038253266 407000303 /nfs/dbraw/zinc/00/03/03/407000303.db2.gz VZKBAFAJBKXGRE-UHFFFAOYSA-N 1 2 300.815 1.354 40 0 DDABLO Cc1cnnn1Cc1nnn2c1C[N@H+](Cc1ccccn1)CCC2 ZINC000096259563 407257592 /nfs/dbraw/zinc/25/75/92/407257592.db2.gz UIHKSWAYBHNCON-UHFFFAOYSA-N 1 2 324.392 1.027 40 0 DDABLO Cc1cnnn1Cc1nnn2c1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096259563 407257594 /nfs/dbraw/zinc/25/75/94/407257594.db2.gz UIHKSWAYBHNCON-UHFFFAOYSA-N 1 2 324.392 1.027 40 0 DDABLO CN1C(=O)NC(=O)C(=C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000095098274 407207120 /nfs/dbraw/zinc/20/71/20/407207120.db2.gz YFTIVKRGMFIDIQ-UHFFFAOYSA-N 1 2 313.357 1.287 40 0 DDABLO O=C(NC1CC1)N1CCO[C@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096074778 407235119 /nfs/dbraw/zinc/23/51/19/407235119.db2.gz FKVLMRPRWYJTIU-KRWDZBQOSA-N 1 2 316.405 1.625 40 0 DDABLO c1cncc(OCc2noc3c2C[N@@H+]([C@@H]2CCOC2)CC3)c1 ZINC000096085115 407236374 /nfs/dbraw/zinc/23/63/74/407236374.db2.gz UYJDSIWUQUWHAD-GFCCVEGCSA-N 1 2 301.346 1.796 40 0 DDABLO c1cncc(OCc2noc3c2C[N@H+]([C@@H]2CCOC2)CC3)c1 ZINC000096085115 407236377 /nfs/dbraw/zinc/23/63/77/407236377.db2.gz UYJDSIWUQUWHAD-GFCCVEGCSA-N 1 2 301.346 1.796 40 0 DDABLO CC(C)(C)OC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000257235037 407509595 /nfs/dbraw/zinc/50/95/95/407509595.db2.gz GWEAGQXEYCBUII-UHFFFAOYSA-N 1 2 307.398 1.496 40 0 DDABLO CC(=O)N1CCC[C@@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257237106 407510079 /nfs/dbraw/zinc/51/00/79/407510079.db2.gz HFEUCFAYVWOHGU-AWEZNQCLSA-N 1 2 313.405 1.987 40 0 DDABLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257231117 407507003 /nfs/dbraw/zinc/50/70/03/407507003.db2.gz GFICZADCPICVCU-WMZOPIPTSA-N 1 2 318.417 1.803 40 0 DDABLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257231117 407507007 /nfs/dbraw/zinc/50/70/07/407507007.db2.gz GFICZADCPICVCU-WMZOPIPTSA-N 1 2 318.417 1.803 40 0 DDABLO CNc1cncc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)n1 ZINC000257264767 407527535 /nfs/dbraw/zinc/52/75/35/407527535.db2.gz LVYYXAVNTHUTJW-AWEZNQCLSA-N 1 2 303.410 1.668 40 0 DDABLO CNc1cncc([C@@H]2CCC[N@H+]2CC(=O)N2CCCCC2)n1 ZINC000257264767 407527538 /nfs/dbraw/zinc/52/75/38/407527538.db2.gz LVYYXAVNTHUTJW-AWEZNQCLSA-N 1 2 303.410 1.668 40 0 DDABLO CCN(CC)C(=O)C[N@@H+]1CCN(C(C)=O)[C@H](c2ccccc2)C1 ZINC000257276572 407528983 /nfs/dbraw/zinc/52/89/83/407528983.db2.gz NUIKOGPXWASVQM-KRWDZBQOSA-N 1 2 317.433 1.760 40 0 DDABLO CCN(CC)C(=O)C[N@H+]1CCN(C(C)=O)[C@H](c2ccccc2)C1 ZINC000257276572 407528993 /nfs/dbraw/zinc/52/89/93/407528993.db2.gz NUIKOGPXWASVQM-KRWDZBQOSA-N 1 2 317.433 1.760 40 0 DDABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)cs1 ZINC000257333621 407532104 /nfs/dbraw/zinc/53/21/04/407532104.db2.gz YCHUKXVSFZEBJP-ZDUSSCGKSA-N 1 2 304.419 1.933 40 0 DDABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccncn3)C2)cs1 ZINC000257333621 407532112 /nfs/dbraw/zinc/53/21/12/407532112.db2.gz YCHUKXVSFZEBJP-ZDUSSCGKSA-N 1 2 304.419 1.933 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)cc[nH+]1 ZINC000257323784 407533907 /nfs/dbraw/zinc/53/39/07/407533907.db2.gz WLVGEZIYQVFPNG-ZDUSSCGKSA-N 1 2 321.406 1.397 40 0 DDABLO O=C(c1ccncc1)N1CCO[C@@H]2[C@H](Cn3cc[nH+]c3)CC[C@@H]21 ZINC000247859888 408514568 /nfs/dbraw/zinc/51/45/68/408514568.db2.gz MHCKZNFMOWLRLB-HRCADAONSA-N 1 2 312.373 1.598 40 0 DDABLO OCCNc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329033756 410062993 /nfs/dbraw/zinc/06/29/93/410062993.db2.gz QVSMTMFDTQQWEI-UHFFFAOYSA-N 1 2 306.316 1.624 40 0 DDABLO c1cc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CC3)[nH+]2)ccn1 ZINC000329065390 410083543 /nfs/dbraw/zinc/08/35/43/410083543.db2.gz XQTGVXHVVUCANB-AWEZNQCLSA-N 1 2 311.389 1.548 40 0 DDABLO CS(=O)(=O)CC[C@@H]([NH3+])c1nc([C@@H](C2CC2)n2cccc2)no1 ZINC000409439825 568413415 /nfs/dbraw/zinc/41/34/15/568413415.db2.gz IWESSQXBMZAYCH-VXGBXAGGSA-N 1 2 324.406 1.305 40 0 DDABLO Cc1cncc(OC[C@@H]2Cc3c(ncn3C)C[N@@H+]2C2CCC2)n1 ZINC000585094929 354803224 /nfs/dbraw/zinc/80/32/24/354803224.db2.gz USVWNSWWAYAUAJ-AWEZNQCLSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cncc(OC[C@@H]2Cc3c(ncn3C)C[N@H+]2C2CCC2)n1 ZINC000585094929 354803227 /nfs/dbraw/zinc/80/32/27/354803227.db2.gz USVWNSWWAYAUAJ-AWEZNQCLSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cncc(OC[C@@H]2Cc3c([nH+]cn3C)CN2C2CCC2)n1 ZINC000585094929 354803232 /nfs/dbraw/zinc/80/32/32/354803232.db2.gz USVWNSWWAYAUAJ-AWEZNQCLSA-N 1 2 313.405 1.877 40 0 DDABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2ccncc2C)CCO1 ZINC000585275788 354819598 /nfs/dbraw/zinc/81/95/98/354819598.db2.gz JOHPWIDZPRHRAB-QGZVFWFLSA-N 1 2 321.421 1.086 40 0 DDABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccncc2C)CCO1 ZINC000585275788 354819599 /nfs/dbraw/zinc/81/95/99/354819599.db2.gz JOHPWIDZPRHRAB-QGZVFWFLSA-N 1 2 321.421 1.086 40 0 DDABLO Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257295370 203021747 /nfs/dbraw/zinc/02/17/47/203021747.db2.gz QYARBRPBJHABGE-YRGRVCCFSA-N 1 2 304.350 1.372 40 0 DDABLO CCn1cc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)c(C)n1 ZINC000257300706 203024800 /nfs/dbraw/zinc/02/48/00/203024800.db2.gz RVJPYFAMYYYRLF-CYBMUJFWSA-N 1 2 301.394 1.883 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257281044 203009100 /nfs/dbraw/zinc/00/91/00/203009100.db2.gz ONKGSFSXNMPNIG-NVXWUHKLSA-N 1 2 319.380 1.964 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257281044 203009104 /nfs/dbraw/zinc/00/91/04/203009104.db2.gz ONKGSFSXNMPNIG-NVXWUHKLSA-N 1 2 319.380 1.964 40 0 DDABLO Cc1c[nH]c([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257285205 203011897 /nfs/dbraw/zinc/01/18/97/203011897.db2.gz PGCGRNKXYZPNBE-ZDUSSCGKSA-N 1 2 303.366 1.295 40 0 DDABLO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223684 257123695 /nfs/dbraw/zinc/12/36/95/257123695.db2.gz WRNPIBRRXXHYEI-SFHVURJKSA-N 1 2 311.385 1.750 40 0 DDABLO CC(C)COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060233 407231411 /nfs/dbraw/zinc/23/14/11/407231411.db2.gz FAICHIJADYAOHG-OAHLLOKOSA-N 1 2 317.437 1.926 40 0 DDABLO CC(C)COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060233 407231414 /nfs/dbraw/zinc/23/14/14/407231414.db2.gz FAICHIJADYAOHG-OAHLLOKOSA-N 1 2 317.437 1.926 40 0 DDABLO COC[C@H]1CN(Cc2cccnc2OC)Cc2[nH+]cn(C)c21 ZINC000096068371 407234216 /nfs/dbraw/zinc/23/42/16/407234216.db2.gz VGTYMWFHKXDKQE-CYBMUJFWSA-N 1 2 302.378 1.570 40 0 DDABLO O=C(c1ccc[nH]1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187910 407245603 /nfs/dbraw/zinc/24/56/03/407245603.db2.gz WPLFMJRBJMXGPT-AWEZNQCLSA-N 1 2 314.389 1.910 40 0 DDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256050116 407479077 /nfs/dbraw/zinc/47/90/77/407479077.db2.gz CSWLINWOPCTKAU-UHFFFAOYSA-N 1 2 305.279 1.910 40 0 DDABLO Cc1cccnc1C[N@@H+]1CC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257210495 407497959 /nfs/dbraw/zinc/49/79/59/407497959.db2.gz BUXMAKFUNLWIJZ-LBPRGKRZSA-N 1 2 320.418 1.506 40 0 DDABLO Cc1cccnc1C[N@H+]1CC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257210495 407497963 /nfs/dbraw/zinc/49/79/63/407497963.db2.gz BUXMAKFUNLWIJZ-LBPRGKRZSA-N 1 2 320.418 1.506 40 0 DDABLO c1cnc(Nc2cncc([C@H]3C[N@H+](CC4CC4)CCO3)n2)nc1 ZINC000257221911 407504412 /nfs/dbraw/zinc/50/44/12/407504412.db2.gz DRBQZTVGARRLLU-CQSZACIVSA-N 1 2 312.377 1.794 40 0 DDABLO c1cnc(Nc2cncc([C@H]3C[N@@H+](CC4CC4)CCO3)n2)nc1 ZINC000257221911 407504422 /nfs/dbraw/zinc/50/44/22/407504422.db2.gz DRBQZTVGARRLLU-CQSZACIVSA-N 1 2 312.377 1.794 40 0 DDABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000253489393 407453866 /nfs/dbraw/zinc/45/38/66/407453866.db2.gz FBNVGSFRKSFQLF-ZDUSSCGKSA-N 1 2 322.390 1.064 40 0 DDABLO OCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cnccn3)C2)c1 ZINC000257240571 407515137 /nfs/dbraw/zinc/51/51/37/407515137.db2.gz HUDNMLKXYGEIQI-QGZVFWFLSA-N 1 2 315.373 1.421 40 0 DDABLO OCCOc1cccc(C[N@H+]2CCO[C@@H](c3cnccn3)C2)c1 ZINC000257240571 407515146 /nfs/dbraw/zinc/51/51/46/407515146.db2.gz HUDNMLKXYGEIQI-QGZVFWFLSA-N 1 2 315.373 1.421 40 0 DDABLO Cc1nc(NC(=S)NCC[NH+]2CCOCC2)ccc1Cl ZINC000223891592 418564560 /nfs/dbraw/zinc/56/45/60/418564560.db2.gz RIYGCFKBRHMWHU-UHFFFAOYSA-N 1 2 314.842 1.662 40 0 DDABLO CC(=O)N1C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@@H+]2C(C)(C)C1 ZINC000253395704 277018466 /nfs/dbraw/zinc/01/84/66/277018466.db2.gz CETIYVVDMWXCPN-KRWDZBQOSA-N 1 2 319.424 1.953 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@H+]2C(C)(C)C1 ZINC000253395704 277018468 /nfs/dbraw/zinc/01/84/68/277018468.db2.gz CETIYVVDMWXCPN-KRWDZBQOSA-N 1 2 319.424 1.953 40 0 biogenic,in-vitro DDABLO O=C(c1ccccn1)N1CCC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096048584 280214245 /nfs/dbraw/zinc/21/42/45/280214245.db2.gz LQOHZPPQJKHWBY-PBHICJAKSA-N 1 2 312.373 1.915 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2c(C)noc2C)[nH+]1 ZINC000257223912 301024061 /nfs/dbraw/zinc/02/40/61/301024061.db2.gz DZMBFVLHQVPNRH-ZDUSSCGKSA-N 1 2 304.350 1.466 40 0 DDABLO CCOCc1nnc2n1CC[N@@H+](Cc1cc(C)on1)[C@@H](C)C2 ZINC000585097575 354805229 /nfs/dbraw/zinc/80/52/29/354805229.db2.gz MCTHMNFBHAEHKX-NSHDSACASA-N 1 2 305.382 1.558 40 0 DDABLO CCOCc1nnc2n1CC[N@H+](Cc1cc(C)on1)[C@@H](C)C2 ZINC000585097575 354805233 /nfs/dbraw/zinc/80/52/33/354805233.db2.gz MCTHMNFBHAEHKX-NSHDSACASA-N 1 2 305.382 1.558 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585113095 354810177 /nfs/dbraw/zinc/81/01/77/354810177.db2.gz ZROGZYJKULHPKT-CYBMUJFWSA-N 1 2 304.419 1.946 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000585113095 354810178 /nfs/dbraw/zinc/81/01/78/354810178.db2.gz ZROGZYJKULHPKT-CYBMUJFWSA-N 1 2 304.419 1.946 40 0 DDABLO CN(C)C(=O)c1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc1 ZINC000257274983 203004497 /nfs/dbraw/zinc/00/44/97/203004497.db2.gz NNMNROVZYOVVFI-CQSZACIVSA-N 1 2 315.377 1.080 40 0 DDABLO Cc1cc2nccc(C3CCN(C(=O)Cn4cc[nH+]c4)CC3)n2n1 ZINC000257302089 203028297 /nfs/dbraw/zinc/02/82/97/203028297.db2.gz SBLPJEOHNXUGRT-UHFFFAOYSA-N 1 2 324.388 1.640 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C)nc(=O)[nH]3)C2)[nH+]1 ZINC000257339748 203061928 /nfs/dbraw/zinc/06/19/28/203061928.db2.gz ZDAMVVBKXSKROG-LBPRGKRZSA-N 1 2 315.377 1.552 40 0 DDABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000020112428 182188423 /nfs/dbraw/zinc/18/84/23/182188423.db2.gz UYOTYQRZENRGKP-INIZCTEOSA-N 1 2 320.433 1.909 40 0 DDABLO CC[NH+]1CCN(C(=O)c2cn(C)c3ccc(F)cc3c2=O)CC1 ZINC000022236460 182314188 /nfs/dbraw/zinc/31/41/88/182314188.db2.gz INZFWOMVJGPXQU-UHFFFAOYSA-N 1 2 317.364 1.455 40 0 DDABLO CCOc1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000136667015 286563011 /nfs/dbraw/zinc/56/30/11/286563011.db2.gz XYOVHLOQDKPFIP-NWDGAFQWSA-N 1 2 312.416 1.739 40 0 DDABLO O=C1c2cc3c(cc2CC[C@@H]1C[NH+]1CCOCC1)OCCO3 ZINC000019204609 406884438 /nfs/dbraw/zinc/88/44/38/406884438.db2.gz JRSVYGYMRHSRPQ-CYBMUJFWSA-N 1 2 303.358 1.535 40 0 DDABLO COc1ncccc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257219257 407501137 /nfs/dbraw/zinc/50/11/37/407501137.db2.gz DGEIYHFVBVEILW-MGPQQGTHSA-N 1 2 316.361 1.171 40 0 DDABLO CCSc1nc(N2CCOCC2)c(C=O)c(N2CCCC2)[nH+]1 ZINC000224970479 407578786 /nfs/dbraw/zinc/57/87/86/407578786.db2.gz KAWUMILISJSAQH-UHFFFAOYSA-N 1 2 322.434 1.838 40 0 DDABLO CCSc1nc(N2CCCC2)c(C=O)c(N2CCOCC2)[nH+]1 ZINC000224970479 407578790 /nfs/dbraw/zinc/57/87/90/407578790.db2.gz KAWUMILISJSAQH-UHFFFAOYSA-N 1 2 322.434 1.838 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH+]1 ZINC000257236531 407510565 /nfs/dbraw/zinc/51/05/65/407510565.db2.gz HCPJSSHDOIULTA-NSHDSACASA-N 1 2 309.395 1.286 40 0 DDABLO CNc1nccnc1C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257234241 407510647 /nfs/dbraw/zinc/51/06/47/407510647.db2.gz GSSRKUMWTCLWJF-CYBMUJFWSA-N 1 2 314.393 1.196 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)COc2cccc(F)c2)[nH+]1 ZINC000257252316 407521238 /nfs/dbraw/zinc/52/12/38/407521238.db2.gz JUJCCGMLYONHHI-CQSZACIVSA-N 1 2 319.336 1.836 40 0 DDABLO Cn1c[nH+]cc1-c1cccc(C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257260422 407523557 /nfs/dbraw/zinc/52/35/57/407523557.db2.gz LCTKIJYTRPBDTP-UHFFFAOYSA-N 1 2 320.418 1.621 40 0 DDABLO O=S1(=O)CC[C@H](COc2ccccn2)C12C[NH+](C1CCC1)C2 ZINC000247308668 408447033 /nfs/dbraw/zinc/44/70/33/408447033.db2.gz HRWLLEOGYOUPSV-CYBMUJFWSA-N 1 2 322.430 1.502 40 0 DDABLO O=S(=O)(NCC[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21)C1CC1 ZINC000247327139 408452988 /nfs/dbraw/zinc/45/29/88/408452988.db2.gz NPAJKBHUTJZHTP-CQSZACIVSA-N 1 2 324.450 1.122 40 0 DDABLO O=S(=O)(NCC[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21)C1CC1 ZINC000247327139 408452993 /nfs/dbraw/zinc/45/29/93/408452993.db2.gz NPAJKBHUTJZHTP-CQSZACIVSA-N 1 2 324.450 1.122 40 0 DDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2C)nc1 ZINC000257305895 277037935 /nfs/dbraw/zinc/03/79/35/277037935.db2.gz SRZWBIJMOVZIET-INIZCTEOSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2C)nc1 ZINC000257305895 277037937 /nfs/dbraw/zinc/03/79/37/277037937.db2.gz SRZWBIJMOVZIET-INIZCTEOSA-N 1 2 313.405 1.788 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000019401866 280385777 /nfs/dbraw/zinc/38/57/77/280385777.db2.gz IAGRINKWGLQQII-UHFFFAOYSA-N 1 2 320.356 1.180 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000019401866 280385781 /nfs/dbraw/zinc/38/57/81/280385781.db2.gz IAGRINKWGLQQII-UHFFFAOYSA-N 1 2 320.356 1.180 40 0 DDABLO C[NH+](C)CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2)C1=O ZINC000010325945 289186007 /nfs/dbraw/zinc/18/60/07/289186007.db2.gz PXXPXWKKVDGMKR-GOSISDBHSA-N 1 2 322.368 1.561 40 0 DDABLO C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CC[NH+](C)CC1 ZINC000253399728 186306185 /nfs/dbraw/zinc/30/61/85/186306185.db2.gz JVTHBONWJOIXSF-JTQLQIEISA-N 1 2 321.402 1.844 40 0 biogenic,in-vitro DDABLO Cc1cc(-n2cc[nH+]c2)nc(C2CCN(S(C)(=O)=O)CC2)n1 ZINC000072360668 191131491 /nfs/dbraw/zinc/13/14/91/191131491.db2.gz AWPRENNGRMGWQQ-UHFFFAOYSA-N 1 2 321.406 1.110 40 0 DDABLO C[C@]1(C(N)=O)C[N@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000072379576 191141877 /nfs/dbraw/zinc/14/18/77/191141877.db2.gz CFXOLAZUBHMDLB-CYBMUJFWSA-N 1 2 302.296 1.782 40 0 DDABLO C[C@]1(C(N)=O)C[N@@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000072379576 191141878 /nfs/dbraw/zinc/14/18/78/191141878.db2.gz CFXOLAZUBHMDLB-CYBMUJFWSA-N 1 2 302.296 1.782 40 0 DDABLO Cc1cc(N2CCC[C@H]2c2n[nH]cc2C(=O)N(C)C)nc[nH+]1 ZINC000072388592 191146649 /nfs/dbraw/zinc/14/66/49/191146649.db2.gz OGARFFXQFOEYJC-LBPRGKRZSA-N 1 2 300.366 1.551 40 0 DDABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000137194345 354118859 /nfs/dbraw/zinc/11/88/59/354118859.db2.gz AJKOHZLVHPKDEN-NXEZZACHSA-N 1 2 302.808 1.994 40 0 DDABLO CCOCCCNC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000004216666 181085353 /nfs/dbraw/zinc/08/53/53/181085353.db2.gz WYEPUGKCOVFQTO-UHFFFAOYSA-N 1 2 311.451 1.698 40 0 DDABLO Cc1cccc(C[C@@]2(CO)CN(Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000585276445 354820703 /nfs/dbraw/zinc/82/07/03/354820703.db2.gz OVPHMCPVAPZPLN-KRWDZBQOSA-N 1 2 301.390 1.524 40 0 DDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)C1CCCC1 ZINC000257302149 203028717 /nfs/dbraw/zinc/02/87/17/203028717.db2.gz SBSHCVBBFMNWGL-KRWDZBQOSA-N 1 2 303.406 1.671 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)[nH+]1 ZINC000257280076 203008181 /nfs/dbraw/zinc/00/81/81/203008181.db2.gz OJIFJEAWXGQSHP-CQSZACIVSA-N 1 2 301.394 1.975 40 0 DDABLO CNc1cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)cc[nH+]1 ZINC000257281365 203010950 /nfs/dbraw/zinc/01/09/50/203010950.db2.gz OOVTWHBUXMIJSW-HNNXBMFYSA-N 1 2 318.421 1.162 40 0 DDABLO O=C(Cc1cccc(F)c1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257329929 203053205 /nfs/dbraw/zinc/05/32/05/203053205.db2.gz XMBIQADHDTWNFB-BFYDXBDKSA-N 1 2 317.364 1.836 40 0 DDABLO O=C(CCn1cc[nH+]c1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257335599 203058348 /nfs/dbraw/zinc/05/83/48/203058348.db2.gz YLADXSYJWFIZOI-AWEZNQCLSA-N 1 2 315.377 1.621 40 0 DDABLO Cc1[nH+]cc(-c2cccc([C@H]3CCCN3S(C)(=O)=O)n2)n1C ZINC000257343872 203066537 /nfs/dbraw/zinc/06/65/37/203066537.db2.gz ZUSNEEUVJGKVTH-CQSZACIVSA-N 1 2 320.418 1.887 40 0 DDABLO CCN1CNC(Nc2nc(C)c3cccc(OC)c3n2)=[NH+]C1 ZINC000019332641 182116058 /nfs/dbraw/zinc/11/60/58/182116058.db2.gz UTHUQPYMEGTBDV-UHFFFAOYSA-N 1 2 300.366 1.555 40 0 DDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)COC2CCCC2)C1 ZINC000096209362 407251126 /nfs/dbraw/zinc/25/11/26/407251126.db2.gz GVLDRZICWLHCGU-ZDUSSCGKSA-N 1 2 307.394 1.447 40 0 DDABLO COC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2[nH+]cn(C)c21 ZINC000096044761 407226171 /nfs/dbraw/zinc/22/61/71/407226171.db2.gz FWPGCHDULAGUNZ-CYBMUJFWSA-N 1 2 317.364 1.874 40 0 DDABLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)cs1 ZINC000096209592 407250403 /nfs/dbraw/zinc/25/04/03/407250403.db2.gz FYZZEGRDEXAJGH-NILFDRSVSA-N 1 2 321.446 1.710 40 0 DDABLO Cc1nc(C[N@H+]2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)cs1 ZINC000096209592 407250406 /nfs/dbraw/zinc/25/04/06/407250406.db2.gz FYZZEGRDEXAJGH-NILFDRSVSA-N 1 2 321.446 1.710 40 0 DDABLO CN1[C@@H]2C[C@H](NC(=O)c3n[nH]c4ccccc43)C[C@H]1C[N@@H+](C)C2 ZINC000255987491 407478175 /nfs/dbraw/zinc/47/81/75/407478175.db2.gz MHNNVDILNTUWNS-CLLJXQQHSA-N 1 2 313.405 1.070 40 0 DDABLO Cc1nc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c(C)s1 ZINC000179305773 407768291 /nfs/dbraw/zinc/76/82/91/407768291.db2.gz XZXWRPZKSCEXIJ-UHFFFAOYSA-N 1 2 323.422 1.870 40 0 DDABLO Cc1nc(SCC(=O)N2CC[NH+](C)CC2)nc2c1CCCC2 ZINC000408556292 418809696 /nfs/dbraw/zinc/80/96/96/418809696.db2.gz JKYKALMIOYQRHC-UHFFFAOYSA-N 1 2 320.462 1.530 40 0 DDABLO Cn1ccnc1C[N@@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000019291496 279374310 /nfs/dbraw/zinc/37/43/10/279374310.db2.gz YZONMYNDMKFSNQ-UHFFFAOYSA-N 1 2 322.372 1.124 40 0 DDABLO Cn1ccnc1C[N@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000019291496 279374315 /nfs/dbraw/zinc/37/43/15/279374315.db2.gz YZONMYNDMKFSNQ-UHFFFAOYSA-N 1 2 322.372 1.124 40 0 DDABLO Cn1cc[nH+]c1CN1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000019291496 279374317 /nfs/dbraw/zinc/37/43/17/279374317.db2.gz YZONMYNDMKFSNQ-UHFFFAOYSA-N 1 2 322.372 1.124 40 0 DDABLO c1cnc(N2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096062481 280482095 /nfs/dbraw/zinc/48/20/95/280482095.db2.gz BONCDDXHEHNOQJ-KRWDZBQOSA-N 1 2 311.389 1.605 40 0 DDABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072360956 293343868 /nfs/dbraw/zinc/34/38/68/293343868.db2.gz QVUKSFKTLGQSPZ-NSHDSACASA-N 1 2 318.406 1.607 40 0 DDABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072360956 293343871 /nfs/dbraw/zinc/34/38/71/293343871.db2.gz QVUKSFKTLGQSPZ-NSHDSACASA-N 1 2 318.406 1.607 40 0 DDABLO Cn1cc(-c2c[nH+]c3n2C[C@@]2(CCN(c4ncccn4)C2)C3)cn1 ZINC000306144234 534719193 /nfs/dbraw/zinc/71/91/93/534719193.db2.gz ZADWUDBGFBCHGJ-KRWDZBQOSA-N 1 2 321.388 1.526 40 0 DDABLO NC(=O)C[NH+]1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072361847 191131362 /nfs/dbraw/zinc/13/13/62/191131362.db2.gz KKJYVNQLIJEWAV-UHFFFAOYSA-N 1 2 313.361 1.329 40 0 DDABLO Cc1cc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)no1 ZINC000072383054 191142222 /nfs/dbraw/zinc/14/22/22/191142222.db2.gz SICJCKVERJZXQX-LBPRGKRZSA-N 1 2 301.350 1.744 40 0 DDABLO Cc1cc(Nc2cccc([C@@H]3CCC[N@H+]3CC(N)=O)n2)no1 ZINC000072383054 191142224 /nfs/dbraw/zinc/14/22/24/191142224.db2.gz SICJCKVERJZXQX-LBPRGKRZSA-N 1 2 301.350 1.744 40 0 DDABLO CNC(=O)C1=NO[C@]2(C1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101175 354807018 /nfs/dbraw/zinc/80/70/18/354807018.db2.gz LKIXSIBINWDPOD-INIZCTEOSA-N 1 2 319.409 1.321 40 0 DDABLO CNC(=O)C1=NO[C@]2(C1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000585101175 354807022 /nfs/dbraw/zinc/80/70/22/354807022.db2.gz LKIXSIBINWDPOD-INIZCTEOSA-N 1 2 319.409 1.321 40 0 DDABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@@H+]1C1CCOCC1 ZINC000096201269 291327543 /nfs/dbraw/zinc/32/75/43/291327543.db2.gz PNTRGWUCXILHKS-ZDUSSCGKSA-N 1 2 301.394 1.684 40 0 DDABLO C[C@H]1c2ncc(Cn3cccn3)n2CC[N@H+]1C1CCOCC1 ZINC000096201269 291327544 /nfs/dbraw/zinc/32/75/44/291327544.db2.gz PNTRGWUCXILHKS-ZDUSSCGKSA-N 1 2 301.394 1.684 40 0 DDABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC(C)(C(N)=O)CC1 ZINC000257252404 202984536 /nfs/dbraw/zinc/98/45/36/202984536.db2.gz JURIVAZYCUHNCP-UHFFFAOYSA-N 1 2 314.389 1.299 40 0 DDABLO CCN(CC)S(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257293618 203018923 /nfs/dbraw/zinc/01/89/23/203018923.db2.gz QQJRVZLKFXJGFP-OAHLLOKOSA-N 1 2 311.451 1.562 40 0 DDABLO CCN(CC)S(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257293618 203018925 /nfs/dbraw/zinc/01/89/25/203018925.db2.gz QQJRVZLKFXJGFP-OAHLLOKOSA-N 1 2 311.451 1.562 40 0 DDABLO Cc1ccc(C(=O)N2CCn3c(Cn4cncn4)c[nH+]c3C2)o1 ZINC000096061922 193513733 /nfs/dbraw/zinc/51/37/33/193513733.db2.gz SJOSOHFHHYUIRR-UHFFFAOYSA-N 1 2 312.333 1.080 40 0 DDABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2[nH]cc[nH+]2)C1 ZINC000015674122 182012061 /nfs/dbraw/zinc/01/20/61/182012061.db2.gz PUPDXGKCXYGCKM-OLZOCXBDSA-N 1 2 311.345 1.768 40 0 biogenic,in-vitro DDABLO O=C(C[N@@H+]1CC[C@@H](C(=O)NC2CCCC2)C1)Nc1nccs1 ZINC000019747838 182142646 /nfs/dbraw/zinc/14/26/46/182142646.db2.gz LYMAVEXNJPLCJN-LLVKDONJSA-N 1 2 322.434 1.462 40 0 DDABLO O=C(C[N@H+]1CC[C@@H](C(=O)NC2CCCC2)C1)Nc1nccs1 ZINC000019747838 182142647 /nfs/dbraw/zinc/14/26/47/182142647.db2.gz LYMAVEXNJPLCJN-LLVKDONJSA-N 1 2 322.434 1.462 40 0 DDABLO CCn1c(C)[nH+]c2cc(NC(=O)C3CN(C(C)=O)C3)ccc21 ZINC000019747564 182142839 /nfs/dbraw/zinc/14/28/39/182142839.db2.gz KGBXOSYOUOEDTM-UHFFFAOYSA-N 1 2 300.362 1.781 40 0 DDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc(C)cn2)C1 ZINC000096207116 285312584 /nfs/dbraw/zinc/31/25/84/285312584.db2.gz BCPPMZVYXDZFJT-ZDUSSCGKSA-N 1 2 300.362 1.505 40 0 DDABLO CCc1ccc2occ(CC(=O)NCC[NH+]3CCOCC3)c2c1 ZINC000027587459 406912396 /nfs/dbraw/zinc/91/23/96/406912396.db2.gz CGONFQIOZITWRG-UHFFFAOYSA-N 1 2 316.401 1.986 40 0 DDABLO COC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2ccccc2)C1 ZINC000096187758 407245197 /nfs/dbraw/zinc/24/51/97/407245197.db2.gz STGBWJGOWVJWNN-CYBMUJFWSA-N 1 2 321.402 1.350 40 0 DDABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197711 407247361 /nfs/dbraw/zinc/24/73/61/407247361.db2.gz XUYSAXNORYIPCX-CQSZACIVSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197711 407247364 /nfs/dbraw/zinc/24/73/64/407247364.db2.gz XUYSAXNORYIPCX-CQSZACIVSA-N 1 2 315.373 1.895 40 0 DDABLO CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCC[NH2+]3)n2)cc1 ZINC000067898817 407289152 /nfs/dbraw/zinc/28/91/52/407289152.db2.gz LBDUHGOBZOMQGW-ZDUSSCGKSA-N 1 2 307.375 1.141 40 0 biogenic,in-vitro DDABLO C[C@@H]1C[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000195539306 407464877 /nfs/dbraw/zinc/46/48/77/407464877.db2.gz MISBPLBNETWOBD-DZUCGIPZSA-N 1 2 315.417 1.690 40 0 DDABLO C[C@@H]1C[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000195539306 407464881 /nfs/dbraw/zinc/46/48/81/407464881.db2.gz MISBPLBNETWOBD-DZUCGIPZSA-N 1 2 315.417 1.690 40 0 DDABLO NC(=O)c1cc(C[C@@H]2CCCN(c3cccc[nH+]3)CC2)ncn1 ZINC000257216011 407499781 /nfs/dbraw/zinc/49/97/81/407499781.db2.gz CSRQJVLQJIUFRM-CYBMUJFWSA-N 1 2 311.389 1.820 40 0 DDABLO CC(=O)N1CCC([N@@H+]2CCO[C@@H](c3cnc(C)cn3)C2)CC1 ZINC000257227606 407507456 /nfs/dbraw/zinc/50/74/56/407507456.db2.gz FQBNIKRYFPANNG-MRXNPFEDSA-N 1 2 304.394 1.169 40 0 DDABLO CC(=O)N1CCC([N@H+]2CCO[C@@H](c3cnc(C)cn3)C2)CC1 ZINC000257227606 407507460 /nfs/dbraw/zinc/50/74/60/407507460.db2.gz FQBNIKRYFPANNG-MRXNPFEDSA-N 1 2 304.394 1.169 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3ccnn3C)C2)[nH+]1 ZINC000257243702 407514076 /nfs/dbraw/zinc/51/40/76/407514076.db2.gz IIEOQWJEYIVDBQ-ZDUSSCGKSA-N 1 2 301.394 1.790 40 0 DDABLO O=C(C1CC1)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257261327 407522507 /nfs/dbraw/zinc/52/25/07/407522507.db2.gz LGTVSBLJJMOZFL-QGZVFWFLSA-N 1 2 315.417 1.987 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257269380 407529083 /nfs/dbraw/zinc/52/90/83/407529083.db2.gz MPSMQLPETJLZID-HNNXBMFYSA-N 1 2 315.421 1.948 40 0 DDABLO COCCNC(=O)[C@@H]1CN(Cc2ccsc2)Cc2c[nH+]cn21 ZINC000247915773 408515606 /nfs/dbraw/zinc/51/56/06/408515606.db2.gz ZIFJKNYKAXVPEC-AWEZNQCLSA-N 1 2 320.418 1.264 40 0 DDABLO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](Cc3cccs3)C2)C1 ZINC000248044940 408528277 /nfs/dbraw/zinc/52/82/77/408528277.db2.gz WHHCMGDULQSEIV-ZDUSSCGKSA-N 1 2 324.446 1.586 40 0 DDABLO C[C@H](CO)Nc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000328972142 410027841 /nfs/dbraw/zinc/02/78/41/410027841.db2.gz DTZORQYSBKHWHT-SNVBAGLBSA-N 1 2 300.362 1.440 40 0 DDABLO Cc1ccc([C@@H]([NH3+])c2nnc(CCN3CCOCC3)[nH]2)cc1 ZINC000095534127 185379091 /nfs/dbraw/zinc/37/90/91/185379091.db2.gz ORKIQEZXHYGALF-OAHLLOKOSA-N 1 2 301.394 1.036 40 0 DDABLO Cn1ccnc1CN1CCO[C@H]2[C@H]1CC[C@H]2Cn1cc[nH+]c1 ZINC000306132842 231087037 /nfs/dbraw/zinc/08/70/37/231087037.db2.gz LTZMMCAFHJEVIP-SQWLQELKSA-N 1 2 301.394 1.296 40 0 DDABLO Cc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1F ZINC000023212104 190648793 /nfs/dbraw/zinc/64/87/93/190648793.db2.gz YRKSRWKDHBICGG-UHFFFAOYSA-N 1 2 316.398 1.135 40 0 DDABLO Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)cc(-n2cc[nH+]c2)n1 ZINC000072360664 191131816 /nfs/dbraw/zinc/13/18/16/191131816.db2.gz ATZLCPLYKWTETB-GFCCVEGCSA-N 1 2 321.406 1.110 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072360952 191132058 /nfs/dbraw/zinc/13/20/58/191132058.db2.gz IGLRKFZALIKFTC-ZDUSSCGKSA-N 1 2 312.377 1.546 40 0 DDABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072360952 191132059 /nfs/dbraw/zinc/13/20/59/191132059.db2.gz IGLRKFZALIKFTC-ZDUSSCGKSA-N 1 2 312.377 1.546 40 0 DDABLO Cc1cc(N2CCO[C@H](c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072366688 191137137 /nfs/dbraw/zinc/13/71/37/191137137.db2.gz LYFWUQDJVPGZHR-ZDUSSCGKSA-N 1 2 300.366 1.219 40 0 DDABLO Cc1nc(N2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cc[nH+]1 ZINC000072379713 191140298 /nfs/dbraw/zinc/14/02/98/191140298.db2.gz KEUAFZDUCQAYEC-MRXNPFEDSA-N 1 2 304.394 1.439 40 0 DDABLO COCC(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378457 191140787 /nfs/dbraw/zinc/14/07/87/191140787.db2.gz POZWPYSZNMSNSJ-CYBMUJFWSA-N 1 2 300.362 1.620 40 0 DDABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585095924 354804345 /nfs/dbraw/zinc/80/43/45/354804345.db2.gz CMBOXORSCHNKDJ-CQSZACIVSA-N 1 2 316.361 1.332 40 0 DDABLO Cc1ccc(OC[C@@]2(O)COCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000585269270 354818504 /nfs/dbraw/zinc/81/85/04/354818504.db2.gz NVVMSSUPUNODSJ-KRWDZBQOSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000585269270 354818506 /nfs/dbraw/zinc/81/85/06/354818506.db2.gz NVVMSSUPUNODSJ-KRWDZBQOSA-N 1 2 317.389 1.360 40 0 DDABLO O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)NCc1cccs1 ZINC000004909794 181171814 /nfs/dbraw/zinc/17/18/14/181171814.db2.gz XKYFGROYEBOGMG-UHFFFAOYSA-N 1 2 321.446 1.355 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)[nH+]1 ZINC000257216459 202952679 /nfs/dbraw/zinc/95/26/79/202952679.db2.gz CUPGZGVYERGXKL-AWEZNQCLSA-N 1 2 318.421 1.447 40 0 DDABLO Cc1cccnc1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257280601 203008734 /nfs/dbraw/zinc/00/87/34/203008734.db2.gz OLNOMRDFYKLWTL-HNNXBMFYSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cccnc1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257280601 203008737 /nfs/dbraw/zinc/00/87/37/203008737.db2.gz OLNOMRDFYKLWTL-HNNXBMFYSA-N 1 2 314.389 1.719 40 0 DDABLO CCn1cc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c(C)n1 ZINC000257330225 203052709 /nfs/dbraw/zinc/05/27/09/203052709.db2.gz XNMFFZJRLGRHPO-RBSFLKMASA-N 1 2 317.393 1.292 40 0 DDABLO Cc1ccn(CCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257319829 203042919 /nfs/dbraw/zinc/04/29/19/203042919.db2.gz VUFLEMNXXSOFCA-HNNXBMFYSA-N 1 2 313.405 1.762 40 0 DDABLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1c[nH+]c[nH]1 ZINC000019657015 182134072 /nfs/dbraw/zinc/13/40/72/182134072.db2.gz MQQKWLQWEHRBSY-UHFFFAOYSA-N 1 2 306.391 1.223 40 0 DDABLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1c[nH]c[nH+]1 ZINC000019657015 182134074 /nfs/dbraw/zinc/13/40/74/182134074.db2.gz MQQKWLQWEHRBSY-UHFFFAOYSA-N 1 2 306.391 1.223 40 0 DDABLO O=C(OCc1ccccc1)N1CC[NH2+][C@H](C(=O)N2CCCC2)C1 ZINC000044137906 183396307 /nfs/dbraw/zinc/39/63/07/183396307.db2.gz LSEIWRBWDGJYBP-HNNXBMFYSA-N 1 2 317.389 1.219 40 0 DDABLO CC(=O)N1CCN(c2ccc([C@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072225636 257123201 /nfs/dbraw/zinc/12/32/01/257123201.db2.gz PXWXEHLTTFXZDA-GOSISDBHSA-N 1 2 311.385 1.832 40 0 DDABLO C[C@@H](O)CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012220732 406838160 /nfs/dbraw/zinc/83/81/60/406838160.db2.gz YYXIPKUBWCHDDG-GFCCVEGCSA-N 1 2 316.405 1.287 40 0 DDABLO COC[C@H]1CN(C(=O)Cc2cccs2)Cc2[nH+]cn(C)c21 ZINC000096044771 407226396 /nfs/dbraw/zinc/22/63/96/407226396.db2.gz FXZGRZMHZSYPOB-LLVKDONJSA-N 1 2 305.403 1.797 40 0 DDABLO CC(=O)N1CCC[C@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257237107 407509934 /nfs/dbraw/zinc/50/99/34/407509934.db2.gz HFEUCFAYVWOHGU-CQSZACIVSA-N 1 2 313.405 1.987 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257243640 407512830 /nfs/dbraw/zinc/51/28/30/407512830.db2.gz IHXDGDXDBJNNGP-RDJZCZTQSA-N 1 2 319.380 1.964 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257243640 407512835 /nfs/dbraw/zinc/51/28/35/407512835.db2.gz IHXDGDXDBJNNGP-RDJZCZTQSA-N 1 2 319.380 1.964 40 0 DDABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2S(C)(=O)=O)cc1 ZINC000257249001 407518776 /nfs/dbraw/zinc/51/87/76/407518776.db2.gz JGGJLQMDZWZTNQ-ZDUSSCGKSA-N 1 2 307.375 1.408 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cccn2)CC[N@@H+]1C ZINC000257313805 407534806 /nfs/dbraw/zinc/53/48/06/407534806.db2.gz UUFIYJXOQUYOFG-OAHLLOKOSA-N 1 2 314.389 1.407 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cccn2)CC[N@H+]1C ZINC000257313805 407534813 /nfs/dbraw/zinc/53/48/13/407534813.db2.gz UUFIYJXOQUYOFG-OAHLLOKOSA-N 1 2 314.389 1.407 40 0 DDABLO C[NH+]1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 ZINC000225724249 407600947 /nfs/dbraw/zinc/60/09/47/407600947.db2.gz GWYIWDGHHGIACF-UHFFFAOYSA-N 1 2 319.792 1.429 40 0 DDABLO CNC(=O)[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000247927597 408516296 /nfs/dbraw/zinc/51/62/96/408516296.db2.gz FAOYOIFZJZFQHT-KRWDZBQOSA-N 1 2 321.384 1.734 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)cn1 ZINC000248137100 408537980 /nfs/dbraw/zinc/53/79/80/408537980.db2.gz PCFLJUIWYAWQKO-MRXNPFEDSA-N 1 2 305.422 1.828 40 0 DDABLO O=C(c1ccc2cnncc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408979221 418811237 /nfs/dbraw/zinc/81/12/37/418811237.db2.gz QDIBNLSJYFTMPF-UHFFFAOYSA-N 1 2 319.368 1.987 40 0 DDABLO Cn1c[nH+]cc1CN1CCc2nc3ccccc3c(=O)n2CC1 ZINC000019291841 279391502 /nfs/dbraw/zinc/39/15/02/279391502.db2.gz RWVZJNXRBIBMKB-UHFFFAOYSA-N 1 2 309.373 1.188 40 0 DDABLO Cn1cncc1C[N@H+]1CCc2nc3ccccc3c(=O)n2CC1 ZINC000019291841 279391504 /nfs/dbraw/zinc/39/15/04/279391504.db2.gz RWVZJNXRBIBMKB-UHFFFAOYSA-N 1 2 309.373 1.188 40 0 DDABLO Cn1cncc1C[N@@H+]1CCc2nc3ccccc3c(=O)n2CC1 ZINC000019291841 279391507 /nfs/dbraw/zinc/39/15/07/279391507.db2.gz RWVZJNXRBIBMKB-UHFFFAOYSA-N 1 2 309.373 1.188 40 0 DDABLO CCN1CC[C@]2(C[N@H+](Cc3cc(C)n[nH]3)CC(F)(F)C2)C1=O ZINC000585093401 483921526 /nfs/dbraw/zinc/92/15/26/483921526.db2.gz UVPQHOYGHZBFGA-AWEZNQCLSA-N 1 2 312.364 1.798 40 0 DDABLO CCN1CC[C@]2(C[N@@H+](Cc3cc(C)n[nH]3)CC(F)(F)C2)C1=O ZINC000585093401 483921530 /nfs/dbraw/zinc/92/15/30/483921530.db2.gz UVPQHOYGHZBFGA-AWEZNQCLSA-N 1 2 312.364 1.798 40 0 DDABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CC2)C1 ZINC000585095869 354804046 /nfs/dbraw/zinc/80/40/46/354804046.db2.gz RCJCYEIZFVBUBV-CQSZACIVSA-N 1 2 304.394 1.483 40 0 DDABLO COC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1cnc(C)cn1 ZINC000585097023 354805249 /nfs/dbraw/zinc/80/52/49/354805249.db2.gz GQKRKKKAHBRUJX-GFCCVEGCSA-N 1 2 301.350 1.043 40 0 DDABLO Cc1cccc(OC[C@]2(O)COCCN(Cc3[nH]cc[nH+]3)C2)c1 ZINC000585275282 354819607 /nfs/dbraw/zinc/81/96/07/354819607.db2.gz BVUHODRINXCOCH-QGZVFWFLSA-N 1 2 317.389 1.360 40 0 DDABLO O=S(=O)(C1CC1)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000247349338 202666379 /nfs/dbraw/zinc/66/63/79/202666379.db2.gz VQLLFDBTBGVZFM-CYBMUJFWSA-N 1 2 311.407 1.159 40 0 DDABLO Cc1nc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)co1 ZINC000257207573 202944319 /nfs/dbraw/zinc/94/43/19/202944319.db2.gz BIIZSBJUAOZVGT-MRXNPFEDSA-N 1 2 316.361 1.091 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257309756 203033996 /nfs/dbraw/zinc/03/39/96/203033996.db2.gz UCGREYLYOWQJGH-LBPRGKRZSA-N 1 2 323.393 1.942 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000257309756 203033999 /nfs/dbraw/zinc/03/39/99/203033999.db2.gz UCGREYLYOWQJGH-LBPRGKRZSA-N 1 2 323.393 1.942 40 0 DDABLO CNC(=O)c1cnn(CC2CCN(c3cc(C)[nH+]cn3)CC2)c1 ZINC000257311519 203037532 /nfs/dbraw/zinc/03/75/32/203037532.db2.gz UJWUWRHLQWKOSJ-UHFFFAOYSA-N 1 2 314.393 1.258 40 0 DDABLO Cc1cc([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nc2nccn21 ZINC000257318985 203041967 /nfs/dbraw/zinc/04/19/67/203041967.db2.gz VQEYUXANUBXLRU-OAHLLOKOSA-N 1 2 324.388 1.988 40 0 DDABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccccn2)C1 ZINC000096206578 193582030 /nfs/dbraw/zinc/58/20/30/193582030.db2.gz XHGRCILBMUKAFF-CQSZACIVSA-N 1 2 314.389 1.516 40 0 DDABLO Cc1c(C[N@@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019747006 182142004 /nfs/dbraw/zinc/14/20/04/182142004.db2.gz HGBBTAFSAIBYCD-QGZVFWFLSA-N 1 2 320.437 1.378 40 0 DDABLO Cc1c(C[N@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019747006 182142005 /nfs/dbraw/zinc/14/20/05/182142005.db2.gz HGBBTAFSAIBYCD-QGZVFWFLSA-N 1 2 320.437 1.378 40 0 DDABLO Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)C[N@H+]2C)n1 ZINC000012530009 406846274 /nfs/dbraw/zinc/84/62/74/406846274.db2.gz PJEIOLLNWVSGFB-STQMWFEESA-N 1 2 304.325 1.692 40 0 biogenic,in-vitro DDABLO Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)C[N@@H+]2C)n1 ZINC000012530009 406846278 /nfs/dbraw/zinc/84/62/78/406846278.db2.gz PJEIOLLNWVSGFB-STQMWFEESA-N 1 2 304.325 1.692 40 0 biogenic,in-vitro DDABLO CC(=O)c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000027228781 406908530 /nfs/dbraw/zinc/90/85/30/406908530.db2.gz KFLMJLOBTBXGAN-GUTXKFCHSA-N 1 2 307.390 1.738 40 0 DDABLO CC(=O)c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000027228781 406908533 /nfs/dbraw/zinc/90/85/33/406908533.db2.gz KFLMJLOBTBXGAN-GUTXKFCHSA-N 1 2 307.390 1.738 40 0 DDABLO Cc1nc2ccccc2nc1SCC(=O)N1CC[NH+](C)CC1 ZINC000035111610 406967395 /nfs/dbraw/zinc/96/73/95/406967395.db2.gz UHRSMTXTTYGFJW-UHFFFAOYSA-N 1 2 316.430 1.804 40 0 DDABLO c1ncc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218556 407251805 /nfs/dbraw/zinc/25/18/05/407251805.db2.gz ADBODCDKPQXQIV-CVEARBPZSA-N 1 2 300.362 1.617 40 0 DDABLO c1ncc(C[N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)[nH]1 ZINC000096218556 407251807 /nfs/dbraw/zinc/25/18/07/407251807.db2.gz ADBODCDKPQXQIV-CVEARBPZSA-N 1 2 300.362 1.617 40 0 DDABLO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041119 407225480 /nfs/dbraw/zinc/22/54/80/407225480.db2.gz WSPUDFBCAGPNGS-MELADBBJSA-N 1 2 321.446 1.506 40 0 DDABLO O=C(NCC1CC1)[C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041119 407225481 /nfs/dbraw/zinc/22/54/81/407225481.db2.gz WSPUDFBCAGPNGS-MELADBBJSA-N 1 2 321.446 1.506 40 0 DDABLO Fc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)cc1 ZINC000096061827 407232097 /nfs/dbraw/zinc/23/20/97/407232097.db2.gz NWXHARJGGHIETD-UHFFFAOYSA-N 1 2 312.352 1.678 40 0 DDABLO Cc1cnc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257208662 407497910 /nfs/dbraw/zinc/49/79/10/407497910.db2.gz BNBSFKQWCZIUCD-CQSZACIVSA-N 1 2 311.389 1.921 40 0 DDABLO CC(=O)N[C@@H]1CCOC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000257242403 407512737 /nfs/dbraw/zinc/51/27/37/407512737.db2.gz ICHUYMKWNCUAMT-CQSZACIVSA-N 1 2 304.394 1.439 40 0 DDABLO CCCCNc1ncc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC000218760912 407522184 /nfs/dbraw/zinc/52/21/84/407522184.db2.gz ZTAARXLPRIZHBG-ZDUSSCGKSA-N 1 2 318.381 1.197 40 0 DDABLO CCCCNc1ncc(C[NH2+][C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC000218760912 407522191 /nfs/dbraw/zinc/52/21/91/407522191.db2.gz ZTAARXLPRIZHBG-ZDUSSCGKSA-N 1 2 318.381 1.197 40 0 DDABLO Fc1ccccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000247491910 408481635 /nfs/dbraw/zinc/48/16/35/408481635.db2.gz BRTWWPGAMYLWBZ-NXHRZFHOSA-N 1 2 320.408 1.890 40 0 DDABLO Fc1ccccc1CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000247491910 408481640 /nfs/dbraw/zinc/48/16/40/408481640.db2.gz BRTWWPGAMYLWBZ-NXHRZFHOSA-N 1 2 320.408 1.890 40 0 DDABLO c1cnc(O[C@@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000247833841 408511876 /nfs/dbraw/zinc/51/18/76/408511876.db2.gz MNYXMCSYQDHIBF-OAHLLOKOSA-N 1 2 312.373 1.684 40 0 DDABLO CNc1nc(NCCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329072266 410086056 /nfs/dbraw/zinc/08/60/56/410086056.db2.gz ZWUNEHIVIAAXAC-UHFFFAOYSA-N 1 2 306.373 1.474 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)[nH+]1 ZINC000257342277 301024206 /nfs/dbraw/zinc/02/42/06/301024206.db2.gz ZNXUGPGZAZARGQ-LBPRGKRZSA-N 1 2 315.329 1.661 40 0 DDABLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836639 185389046 /nfs/dbraw/zinc/38/90/46/185389046.db2.gz DILYNYQMMUIMOM-HIFRSBDPSA-N 1 2 304.321 1.482 40 0 DDABLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836639 185389047 /nfs/dbraw/zinc/38/90/47/185389047.db2.gz DILYNYQMMUIMOM-HIFRSBDPSA-N 1 2 304.321 1.482 40 0 DDABLO S=C(NCc1ccco1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225225993 539266033 /nfs/dbraw/zinc/26/60/33/539266033.db2.gz IPINJEIAHOCOEL-UHFFFAOYSA-N 1 2 316.430 1.867 40 0 DDABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1ccnnc1 ZINC000585097195 354804787 /nfs/dbraw/zinc/80/47/87/354804787.db2.gz INQSMYLQQMETGG-ZDUSSCGKSA-N 1 2 301.350 1.124 40 0 DDABLO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585276449 354820893 /nfs/dbraw/zinc/82/08/93/354820893.db2.gz KDSMOUNRGZGFEZ-HOTGVXAUSA-N 1 2 317.364 1.686 40 0 DDABLO Cn1ccnc1C[NH+]1CC(CCCc2ccncc2)(C(N)=O)C1 ZINC000257270581 203000713 /nfs/dbraw/zinc/00/07/13/203000713.db2.gz MUUYCALBZOPXSY-UHFFFAOYSA-N 1 2 313.405 1.125 40 0 DDABLO O=c1cc(CC[C@H]2C[N@H+](Cc3ccccn3)CCO2)nc[nH]1 ZINC000257276170 203004506 /nfs/dbraw/zinc/00/45/06/203004506.db2.gz NSPSXMYCELHMPN-HNNXBMFYSA-N 1 2 300.362 1.411 40 0 DDABLO O=c1cc(CC[C@H]2C[N@@H+](Cc3ccccn3)CCO2)nc[nH]1 ZINC000257276170 203004509 /nfs/dbraw/zinc/00/45/09/203004509.db2.gz NSPSXMYCELHMPN-HNNXBMFYSA-N 1 2 300.362 1.411 40 0 DDABLO Fc1ccc(OCCc2cc([C@H]3C[NH2+]CCO3)n[nH]2)cc1F ZINC000257293524 203019778 /nfs/dbraw/zinc/01/97/78/203019778.db2.gz QPWKHGWCPNYBJG-OAHLLOKOSA-N 1 2 309.316 1.970 40 0 DDABLO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257343167 203064967 /nfs/dbraw/zinc/06/49/67/203064967.db2.gz ZRTAFRRQQUHYGB-CQSZACIVSA-N 1 2 313.405 1.749 40 0 DDABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@](C)(C(N)=O)C2)s1 ZINC000019746903 182142102 /nfs/dbraw/zinc/14/21/02/182142102.db2.gz REJXSCXEPILLCS-AWEZNQCLSA-N 1 2 312.439 1.066 40 0 DDABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@](C)(C(N)=O)C2)s1 ZINC000019746903 182142104 /nfs/dbraw/zinc/14/21/04/182142104.db2.gz REJXSCXEPILLCS-AWEZNQCLSA-N 1 2 312.439 1.066 40 0 DDABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCO)CC1 ZINC000012221312 406839012 /nfs/dbraw/zinc/83/90/12/406839012.db2.gz VMUWHDPZQNENGT-UHFFFAOYSA-N 1 2 316.405 1.381 40 0 DDABLO COc1ccccc1[C@@H](NC(=O)c1cnccn1)c1[nH+]ccn1C ZINC000012114901 406835285 /nfs/dbraw/zinc/83/52/85/406835285.db2.gz UHKYOLCUERXXDS-OAHLLOKOSA-N 1 2 323.356 1.738 40 0 DDABLO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000034118505 406964232 /nfs/dbraw/zinc/96/42/32/406964232.db2.gz KFLMJLOBTBXGAN-YDHLFZDLSA-N 1 2 307.390 1.738 40 0 DDABLO O=C([C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)N1CCCC1 ZINC000096216452 407251228 /nfs/dbraw/zinc/25/12/28/407251228.db2.gz WLWLUXVUFHSSGP-FRRDWIJNSA-N 1 2 307.419 1.212 40 0 DDABLO O=C([C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)N1CCCC1 ZINC000096216452 407251230 /nfs/dbraw/zinc/25/12/30/407251230.db2.gz WLWLUXVUFHSSGP-FRRDWIJNSA-N 1 2 307.419 1.212 40 0 DDABLO O=C(C1CC=CC1)N1CCn2c(C[NH+]3CCCC3)nnc2C1 ZINC000096259849 407258128 /nfs/dbraw/zinc/25/81/28/407258128.db2.gz ONIGTKVGWANLNX-UHFFFAOYSA-N 1 2 301.394 1.182 40 0 DDABLO CC(C)(C)NC(=O)CN1c2ccccc2C2=[NH+]CCN2C1=O ZINC000057467214 407215669 /nfs/dbraw/zinc/21/56/69/407215669.db2.gz RZGQUEFHLFHKAA-UHFFFAOYSA-N 1 2 300.362 1.604 40 0 DDABLO COC[C@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2[nH+]cn(C)c21 ZINC000096044805 407225894 /nfs/dbraw/zinc/22/58/94/407225894.db2.gz QMXZYDWSXZXGHK-GFCCVEGCSA-N 1 2 302.378 1.751 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1ccncc1 ZINC000096054270 407229258 /nfs/dbraw/zinc/22/92/58/407229258.db2.gz KNCHTGXFEYBRCO-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1ccncc1 ZINC000096054270 407229259 /nfs/dbraw/zinc/22/92/59/407229259.db2.gz KNCHTGXFEYBRCO-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2nccs2)[C@@H]2CCCO[C@H]12)C1CC1 ZINC000096185903 407245322 /nfs/dbraw/zinc/24/53/22/407245322.db2.gz JGKCFJWINJPDLT-YRGRVCCFSA-N 1 2 307.419 1.401 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2nccs2)[C@@H]2CCCO[C@H]12)C1CC1 ZINC000096185903 407245324 /nfs/dbraw/zinc/24/53/24/407245324.db2.gz JGKCFJWINJPDLT-YRGRVCCFSA-N 1 2 307.419 1.401 40 0 DDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188599 407245865 /nfs/dbraw/zinc/24/58/65/407245865.db2.gz SMFLJRNLBMEHOK-LBPRGKRZSA-N 1 2 300.366 1.084 40 0 DDABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000101370774 407309095 /nfs/dbraw/zinc/30/90/95/407309095.db2.gz YTSOQXWGPBKCKI-UHFFFAOYSA-O 1 2 314.818 1.633 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000107251956 407371764 /nfs/dbraw/zinc/37/17/64/407371764.db2.gz JNXUXXHGNKASSU-ZIAGYGMSSA-N 1 2 317.418 1.565 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000107251956 407371765 /nfs/dbraw/zinc/37/17/65/407371765.db2.gz JNXUXXHGNKASSU-ZIAGYGMSSA-N 1 2 317.418 1.565 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000107251767 407371808 /nfs/dbraw/zinc/37/18/08/407371808.db2.gz CVDLXQXSIRWEIK-HUUCEWRRSA-N 1 2 311.389 1.191 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000107251767 407371810 /nfs/dbraw/zinc/37/18/10/407371810.db2.gz CVDLXQXSIRWEIK-HUUCEWRRSA-N 1 2 311.389 1.191 40 0 DDABLO Cn1cc[nH+]c1CN1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000107251767 407371812 /nfs/dbraw/zinc/37/18/12/407371812.db2.gz CVDLXQXSIRWEIK-HUUCEWRRSA-N 1 2 311.389 1.191 40 0 DDABLO CN(C)c1cc([C@H]2CCCN(C(=O)Cn3cccn3)C2)cc[nH+]1 ZINC000257206071 407493071 /nfs/dbraw/zinc/49/30/71/407493071.db2.gz BBRLOQYCZOWYQW-HNNXBMFYSA-N 1 2 313.405 1.750 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257294018 407532665 /nfs/dbraw/zinc/53/26/65/407532665.db2.gz QSBYPWZPWWAPGI-GFCCVEGCSA-N 1 2 323.422 1.572 40 0 DDABLO OCCNc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328981547 410034432 /nfs/dbraw/zinc/03/44/32/410034432.db2.gz GUEQYHSCJOXPEH-UHFFFAOYSA-N 1 2 321.384 1.399 40 0 DDABLO Cc1nc(N2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc[nH+]1 ZINC000072369058 191138321 /nfs/dbraw/zinc/13/83/21/191138321.db2.gz UZYHGPNVLDSXFS-GFCCVEGCSA-N 1 2 312.377 1.366 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccc3ncccc3c1)C2 ZINC000585094702 354803682 /nfs/dbraw/zinc/80/36/82/354803682.db2.gz INCHOBXGIFUDQB-CQSZACIVSA-N 1 2 322.368 1.528 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cnn(C(C)C)c1 ZINC000585094597 354803689 /nfs/dbraw/zinc/80/36/89/354803689.db2.gz DODPQUSXZNNKCS-AWEZNQCLSA-N 1 2 303.410 1.771 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)c1ccc(F)c(Cl)c1)C2 ZINC000585094999 354803846 /nfs/dbraw/zinc/80/38/46/354803846.db2.gz YSXZAWCCSBDKCK-JTQLQIEISA-N 1 2 323.755 1.772 40 0 DDABLO Cc1ccc(OC[C@]2(O)COCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000585269271 354818625 /nfs/dbraw/zinc/81/86/25/354818625.db2.gz NVVMSSUPUNODSJ-QGZVFWFLSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1ccc(OC[C@]2(O)COCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000585269271 354818626 /nfs/dbraw/zinc/81/86/26/354818626.db2.gz NVVMSSUPUNODSJ-QGZVFWFLSA-N 1 2 317.389 1.360 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cc(Cl)no2)[nH+]1 ZINC000257297445 203021096 /nfs/dbraw/zinc/02/10/96/203021096.db2.gz RHGHVFBFANXDCS-LLVKDONJSA-N 1 2 324.768 1.892 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cnn(C)c2C)[nH+]1 ZINC000257303722 203026852 /nfs/dbraw/zinc/02/68/52/203026852.db2.gz SIKZCPXVFNHQBQ-CQSZACIVSA-N 1 2 317.393 1.293 40 0 DDABLO Cc1cc(N2CCC[C@@H](Cc3cc(C(N)=O)ncn3)C2)nc[nH+]1 ZINC000257330583 203052691 /nfs/dbraw/zinc/05/26/91/203052691.db2.gz XOZOMYJSUAYBQQ-LBPRGKRZSA-N 1 2 312.377 1.133 40 0 DDABLO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC000257332872 203054187 /nfs/dbraw/zinc/05/41/87/203054187.db2.gz XZCSZAQVOKXXKU-HOCLYGCPSA-N 1 2 304.394 1.275 40 0 DDABLO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257317071 203041262 /nfs/dbraw/zinc/04/12/62/203041262.db2.gz VIFUMAFPNITDMC-ZDUSSCGKSA-N 1 2 312.439 1.847 40 0 DDABLO CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](C)C1 ZINC000012530087 406846996 /nfs/dbraw/zinc/84/69/96/406846996.db2.gz XWRWRBQJSMDAKM-STQMWFEESA-N 1 2 315.377 1.801 40 0 biogenic,in-vitro DDABLO CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](C)C1 ZINC000012530087 406847000 /nfs/dbraw/zinc/84/70/00/406847000.db2.gz XWRWRBQJSMDAKM-STQMWFEESA-N 1 2 315.377 1.801 40 0 biogenic,in-vitro DDABLO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000030862648 406935325 /nfs/dbraw/zinc/93/53/25/406935325.db2.gz QTFUDZWSHBHUJM-QGZVFWFLSA-N 1 2 320.433 1.909 40 0 DDABLO COC(=O)[C@@H]1CC(=O)N(c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000045957870 407051977 /nfs/dbraw/zinc/05/19/77/407051977.db2.gz NROGTTDNFQSLFM-CQSZACIVSA-N 1 2 318.373 1.045 40 0 DDABLO CS(=O)(=O)N1CCCC12CC[NH+](Cc1nccs1)CC2 ZINC000096049346 407227633 /nfs/dbraw/zinc/22/76/33/407227633.db2.gz OWHKMEZSAZVZAN-UHFFFAOYSA-N 1 2 315.464 1.533 40 0 DDABLO CSc1nc(N2CCOCC2)c(C=O)c(N2CCCC2)[nH+]1 ZINC000217689547 407506887 /nfs/dbraw/zinc/50/68/87/407506887.db2.gz ZYKWVDMKYPTWKE-UHFFFAOYSA-N 1 2 308.407 1.448 40 0 DDABLO CSc1nc(N2CCCC2)c(C=O)c(N2CCOCC2)[nH+]1 ZINC000217689547 407506890 /nfs/dbraw/zinc/50/68/90/407506890.db2.gz ZYKWVDMKYPTWKE-UHFFFAOYSA-N 1 2 308.407 1.448 40 0 DDABLO CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccncc2)[nH+]1 ZINC000328960406 410020734 /nfs/dbraw/zinc/02/07/34/410020734.db2.gz AXGTXAHIJIHWLQ-UHFFFAOYSA-N 1 2 321.340 1.896 40 0 DDABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)c1 ZINC000328986136 410038477 /nfs/dbraw/zinc/03/84/77/410038477.db2.gz HWQPMMRXBZIVFC-UHFFFAOYSA-N 1 2 300.362 1.354 40 0 DDABLO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000222990942 418563257 /nfs/dbraw/zinc/56/32/57/418563257.db2.gz XBTYLQHBBILXRL-KRWDZBQOSA-N 1 2 320.433 1.909 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072361805 191132164 /nfs/dbraw/zinc/13/21/64/191132164.db2.gz ZCAKXNUOWUNPSU-ZDUSSCGKSA-N 1 2 312.373 1.934 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072361805 191132166 /nfs/dbraw/zinc/13/21/66/191132166.db2.gz ZCAKXNUOWUNPSU-ZDUSSCGKSA-N 1 2 312.373 1.934 40 0 DDABLO CS(=O)(=O)N1CCC[C@H]1CCc1cc(-n2cc[nH+]c2)ncn1 ZINC000072364828 191134168 /nfs/dbraw/zinc/13/41/68/191134168.db2.gz SDMMKDDXGJZLGN-ZDUSSCGKSA-N 1 2 321.406 1.019 40 0 DDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)no1 ZINC000585094841 354803297 /nfs/dbraw/zinc/80/32/97/354803297.db2.gz PJAJNBWYVHJHFW-LLVKDONJSA-N 1 2 304.350 1.320 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)CCOc1ccccc1)C2 ZINC000585094563 354803711 /nfs/dbraw/zinc/80/37/11/354803711.db2.gz BRJZIHRBWUGRFM-CYBMUJFWSA-N 1 2 315.373 1.135 40 0 DDABLO CN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112737 354810536 /nfs/dbraw/zinc/81/05/36/354810536.db2.gz USYWQJYLJFUHAX-INIZCTEOSA-N 1 2 313.405 1.711 40 0 DDABLO CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112737 354810539 /nfs/dbraw/zinc/81/05/39/354810539.db2.gz USYWQJYLJFUHAX-INIZCTEOSA-N 1 2 313.405 1.711 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)[nH+]1 ZINC000257307034 203031244 /nfs/dbraw/zinc/03/12/44/203031244.db2.gz SWYSUMRJMFZKGG-ZDUSSCGKSA-N 1 2 304.394 1.784 40 0 DDABLO C[N@H+](CC(=O)N1CCCC[C@@H]1c1cc[nH]n1)Cc1cccnc1 ZINC000257306476 203031771 /nfs/dbraw/zinc/03/17/71/203031771.db2.gz SUKPUSBONJPMPR-MRXNPFEDSA-N 1 2 313.405 1.990 40 0 DDABLO C[N@@H+](CC(=O)N1CCCC[C@@H]1c1cc[nH]n1)Cc1cccnc1 ZINC000257306476 203031775 /nfs/dbraw/zinc/03/17/75/203031775.db2.gz SUKPUSBONJPMPR-MRXNPFEDSA-N 1 2 313.405 1.990 40 0 DDABLO Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cn1 ZINC000257311634 203035936 /nfs/dbraw/zinc/03/59/36/203035936.db2.gz UKJPGJKRQVNVIU-GJZGRUSLSA-N 1 2 300.362 1.425 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@@H](COc1cccnc1)C2 ZINC000096206558 193581862 /nfs/dbraw/zinc/58/18/62/193581862.db2.gz KZXUQJNSTBADES-CQSZACIVSA-N 1 2 322.372 1.784 40 0 DDABLO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH+](C)CC3)o2)n1 ZINC000036611000 406980473 /nfs/dbraw/zinc/98/04/73/406980473.db2.gz VVESRFVGXRFAGB-UHFFFAOYSA-N 1 2 302.378 1.529 40 0 DDABLO CCN(CC)C(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057711760 407217588 /nfs/dbraw/zinc/21/75/88/407217588.db2.gz JQKAWOAKVIDYPT-UHFFFAOYSA-N 1 2 305.422 1.686 40 0 DDABLO Cc1nc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CC3)C2)cs1 ZINC000096041167 407225251 /nfs/dbraw/zinc/22/52/51/407225251.db2.gz KJAKCAAVBLAYFC-SOUVJXGZSA-N 1 2 321.446 1.567 40 0 DDABLO Cc1nc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CC3)C2)cs1 ZINC000096041167 407225253 /nfs/dbraw/zinc/22/52/53/407225253.db2.gz KJAKCAAVBLAYFC-SOUVJXGZSA-N 1 2 321.446 1.567 40 0 DDABLO COCC[N@H+]1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000096045000 407225921 /nfs/dbraw/zinc/22/59/21/407225921.db2.gz OHJQXVQZDLZJLZ-HNNXBMFYSA-N 1 2 323.437 1.409 40 0 DDABLO COCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000096045000 407225922 /nfs/dbraw/zinc/22/59/22/407225922.db2.gz OHJQXVQZDLZJLZ-HNNXBMFYSA-N 1 2 323.437 1.409 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C)[nH]4)O[C@@H]3C2)no1 ZINC000096046223 407227101 /nfs/dbraw/zinc/22/71/01/407227101.db2.gz VXILHIAPTDGZRY-IACUBPJLSA-N 1 2 303.366 1.762 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C)[nH]4)O[C@@H]3C2)no1 ZINC000096046223 407227102 /nfs/dbraw/zinc/22/71/02/407227102.db2.gz VXILHIAPTDGZRY-IACUBPJLSA-N 1 2 303.366 1.762 40 0 DDABLO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058227 407230423 /nfs/dbraw/zinc/23/04/23/407230423.db2.gz NJSNRZHFDRDBSG-CYZMBNFOSA-N 1 2 307.419 1.401 40 0 DDABLO O=C(NC1CC1)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096058227 407230425 /nfs/dbraw/zinc/23/04/25/407230425.db2.gz NJSNRZHFDRDBSG-CYZMBNFOSA-N 1 2 307.419 1.401 40 0 DDABLO O=C(c1ccnnc1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198921 407247841 /nfs/dbraw/zinc/24/78/41/407247841.db2.gz JGYZNFFPHSJMAA-UHFFFAOYSA-N 1 2 309.373 1.744 40 0 DDABLO CCOC(=O)C[NH+]1CCC2(CN(Cc3ccccc3)C2=O)CC1 ZINC000096202909 407249711 /nfs/dbraw/zinc/24/97/11/407249711.db2.gz UOILNKCUHLBPNL-UHFFFAOYSA-N 1 2 316.401 1.674 40 0 DDABLO CCC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC000096208186 407250722 /nfs/dbraw/zinc/25/07/22/407250722.db2.gz PIYHSGRLJFOKQO-ZDUSSCGKSA-N 1 2 300.362 1.726 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@H]3C2)no1 ZINC000097953830 407303945 /nfs/dbraw/zinc/30/39/45/407303945.db2.gz JYMARICFYVLVQV-IMJJTQAJSA-N 1 2 319.405 1.585 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N4CCCC4)O[C@H]3C2)no1 ZINC000097953830 407303946 /nfs/dbraw/zinc/30/39/46/407303946.db2.gz JYMARICFYVLVQV-IMJJTQAJSA-N 1 2 319.405 1.585 40 0 DDABLO CN(C)c1cc([C@H]2CCCN2C(=O)CN2CCCC2=O)cc[nH+]1 ZINC000257201641 407490920 /nfs/dbraw/zinc/49/09/20/407490920.db2.gz AIKQEVOIFMUWKA-CQSZACIVSA-N 1 2 316.405 1.434 40 0 DDABLO CC(=O)N1CCC[N@H+](Cc2ccnc([C@@H]3CCCO3)n2)CC1 ZINC000257220080 407498776 /nfs/dbraw/zinc/49/87/76/407498776.db2.gz DJLGRIFMERSEGX-HNNXBMFYSA-N 1 2 304.394 1.382 40 0 DDABLO CC(=O)N1CCC[N@@H+](Cc2ccnc([C@@H]3CCCO3)n2)CC1 ZINC000257220080 407498779 /nfs/dbraw/zinc/49/87/79/407498779.db2.gz DJLGRIFMERSEGX-HNNXBMFYSA-N 1 2 304.394 1.382 40 0 DDABLO C[C@]1(C(N)=O)C[N@H+](Cc2cccc(Br)c2)CCO1 ZINC000257257865 407523588 /nfs/dbraw/zinc/52/35/88/407523588.db2.gz KRKGINAZVYPPAJ-CYBMUJFWSA-N 1 2 313.195 1.525 40 0 DDABLO C[C@]1(C(N)=O)C[N@@H+](Cc2cccc(Br)c2)CCO1 ZINC000257257865 407523594 /nfs/dbraw/zinc/52/35/94/407523594.db2.gz KRKGINAZVYPPAJ-CYBMUJFWSA-N 1 2 313.195 1.525 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1ccc2oc(Cl)nc2c1 ZINC000225975348 407611930 /nfs/dbraw/zinc/61/19/30/407611930.db2.gz HXBQAFOSSZUMSV-UHFFFAOYSA-N 1 2 309.753 1.543 40 0 DDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)NC3CCC3)C2)no1 ZINC000247883361 408514691 /nfs/dbraw/zinc/51/46/91/408514691.db2.gz CSHYGWWMKVKNEK-HNNXBMFYSA-N 1 2 315.377 1.405 40 0 DDABLO CCOCC(=O)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000248304423 408548584 /nfs/dbraw/zinc/54/85/84/408548584.db2.gz MEVVEZMOJSNPHX-CQSZACIVSA-N 1 2 319.405 1.538 40 0 DDABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1F ZINC000329062749 410080466 /nfs/dbraw/zinc/08/04/66/410080466.db2.gz WYIXJQMRLBUQDS-UHFFFAOYSA-N 1 2 318.352 1.493 40 0 DDABLO CC(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)CCN2C(C)(C)C1 ZINC000253398091 277018577 /nfs/dbraw/zinc/01/85/77/277018577.db2.gz GMSBEZNHMXKRBI-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CCN2C(C)(C)C1 ZINC000253398091 277018579 /nfs/dbraw/zinc/01/85/79/277018579.db2.gz GMSBEZNHMXKRBI-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(Cc3cccnc3)CC[N@@H+]2C(C)(C)C1 ZINC000253398091 277018580 /nfs/dbraw/zinc/01/85/80/277018580.db2.gz GMSBEZNHMXKRBI-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(Cc3cccnc3)CC[N@H+]2C(C)(C)C1 ZINC000253398091 277018582 /nfs/dbraw/zinc/01/85/82/277018582.db2.gz GMSBEZNHMXKRBI-INIZCTEOSA-N 1 2 302.422 1.209 40 0 biogenic,in-vitro DDABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2cccs2)[nH+]1 ZINC000257251400 301026041 /nfs/dbraw/zinc/02/60/41/301026041.db2.gz JQPQIGYPNMMDCD-SNVBAGLBSA-N 1 2 313.404 1.542 40 0 DDABLO O=C(NCC1CC1)[C@H]1CN(Cc2ccco2)Cc2c[nH+]cn21 ZINC000306133929 231087320 /nfs/dbraw/zinc/08/73/20/231087320.db2.gz MZOJDZHIJUBZLK-OAHLLOKOSA-N 1 2 300.362 1.559 40 0 DDABLO CC[NH+]1CCN(C(=O)c2snnc2-c2ccccc2)CC1 ZINC000225760523 201743360 /nfs/dbraw/zinc/74/33/60/201743360.db2.gz JYQZHQZRUAOFJF-UHFFFAOYSA-N 1 2 302.403 1.983 40 0 DDABLO Cn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cn1 ZINC000074716967 282621840 /nfs/dbraw/zinc/62/18/40/282621840.db2.gz AGPUSXKEOCLFLG-VMPITWQZSA-N 1 2 310.401 1.891 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1ccncc1)C2 ZINC000585110764 354809510 /nfs/dbraw/zinc/80/95/10/354809510.db2.gz CFKRMCAMWBFKEE-CQSZACIVSA-N 1 2 311.389 1.147 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1ccncc1)C2 ZINC000585110764 354809512 /nfs/dbraw/zinc/80/95/12/354809512.db2.gz CFKRMCAMWBFKEE-CQSZACIVSA-N 1 2 311.389 1.147 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000585181444 354817672 /nfs/dbraw/zinc/81/76/72/354817672.db2.gz BJFKTVYTQJPWDF-CYBMUJFWSA-N 1 2 303.366 1.295 40 0 DDABLO CC(=O)N1CCC(C(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257344303 203066273 /nfs/dbraw/zinc/06/62/73/203066273.db2.gz ZWNKNIVSQARSSR-HNNXBMFYSA-N 1 2 318.421 1.683 40 0 DDABLO COCCN1CNC(Nc2nc(C)c3cc(C)ccc3n2)=[NH+]C1 ZINC000019332596 182115806 /nfs/dbraw/zinc/11/58/06/182115806.db2.gz VWCBBTQBBVAKDU-UHFFFAOYSA-N 1 2 314.393 1.481 40 0 DDABLO CCOC(=O)CN1CC(C)(C)[N@H+](CC(=O)OCC)CC1(C)C ZINC000019366359 406884474 /nfs/dbraw/zinc/88/44/74/406884474.db2.gz INVBTEGFIXJXDO-UHFFFAOYSA-N 1 2 314.426 1.287 40 0 DDABLO CCOC(=O)CN1CC(C)(C)[N@@H+](CC(=O)OCC)CC1(C)C ZINC000019366359 406884475 /nfs/dbraw/zinc/88/44/75/406884475.db2.gz INVBTEGFIXJXDO-UHFFFAOYSA-N 1 2 314.426 1.287 40 0 DDABLO C[NH+]1CCN(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000035189707 406968915 /nfs/dbraw/zinc/96/89/15/406968915.db2.gz JIYLHBYALCUPEA-UHFFFAOYSA-N 1 2 324.233 1.434 40 0 DDABLO O=C(c1ccsc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061814 407232260 /nfs/dbraw/zinc/23/22/60/407232260.db2.gz DSYHPGGOUGYBRO-UHFFFAOYSA-N 1 2 313.386 1.845 40 0 DDABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197712 407248017 /nfs/dbraw/zinc/24/80/17/407248017.db2.gz XUYSAXNORYIPCX-AWEZNQCLSA-N 1 2 315.373 1.895 40 0 DDABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197712 407248019 /nfs/dbraw/zinc/24/80/19/407248019.db2.gz XUYSAXNORYIPCX-AWEZNQCLSA-N 1 2 315.373 1.895 40 0 DDABLO CO[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@]12CCCO2 ZINC000257209242 407498152 /nfs/dbraw/zinc/49/81/52/407498152.db2.gz BPOKYKBKUCRZOV-HOCLYGCPSA-N 1 2 307.394 1.460 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)[nH+]1 ZINC000257247961 407517365 /nfs/dbraw/zinc/51/73/65/407517365.db2.gz JBJDQUMYLADRAD-NSHDSACASA-N 1 2 309.395 1.020 40 0 DDABLO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](Cc2[nH]ncc2C)C1 ZINC000257245034 407518216 /nfs/dbraw/zinc/51/82/16/407518216.db2.gz INVXOTHSNKYGFV-CQSZACIVSA-N 1 2 315.421 1.958 40 0 DDABLO Cc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)s1 ZINC000257271280 407529902 /nfs/dbraw/zinc/52/99/02/407529902.db2.gz MXQQPVSBZORDRC-IJLUTSLNSA-N 1 2 306.391 1.451 40 0 DDABLO Cc1ccc2oc(=O)c(C(=O)NCC[NH+]3CCOCC3)cc2c1 ZINC000226037745 407613510 /nfs/dbraw/zinc/61/35/10/407613510.db2.gz BQRIKHVZCKHHFX-UHFFFAOYSA-N 1 2 316.357 1.163 40 0 DDABLO O=S(=O)(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cccnc1 ZINC000166173847 408815732 /nfs/dbraw/zinc/81/57/32/408815732.db2.gz NPTFODKSGRVDBX-ZDUSSCGKSA-N 1 2 318.402 1.424 40 0 DDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CC[N@@H+]2C(C)(C)C1 ZINC000253407123 186308389 /nfs/dbraw/zinc/30/83/89/186308389.db2.gz VPKAGBKMQQRNJE-INIZCTEOSA-N 1 2 315.417 1.454 40 0 biogenic,in-vitro DDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CC[N@H+]2C(C)(C)C1 ZINC000253407123 186308391 /nfs/dbraw/zinc/30/83/91/186308391.db2.gz VPKAGBKMQQRNJE-INIZCTEOSA-N 1 2 315.417 1.454 40 0 biogenic,in-vitro DDABLO Cc1cc(-n2cc[nH+]c2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000072360669 191131663 /nfs/dbraw/zinc/13/16/63/191131663.db2.gz YGFCGSUONCNBAM-GFCCVEGCSA-N 1 2 321.406 1.110 40 0 DDABLO CS(=O)(=O)N1CCC[C@@H](c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000072364820 191133230 /nfs/dbraw/zinc/13/32/30/191133230.db2.gz XXVZOXDKARIWHP-GFCCVEGCSA-N 1 2 306.391 1.406 40 0 DDABLO Cc1cc(Nc2cc(C)nc([C@H]3CC[N@H+](CC(N)=O)C3)n2)no1 ZINC000072383090 191142432 /nfs/dbraw/zinc/14/24/32/191142432.db2.gz XKMYMWRWIRODDO-NSHDSACASA-N 1 2 316.365 1.100 40 0 DDABLO Cc1cc(Nc2cc(C)nc([C@H]3CC[N@@H+](CC(N)=O)C3)n2)no1 ZINC000072383090 191142434 /nfs/dbraw/zinc/14/24/34/191142434.db2.gz XKMYMWRWIRODDO-NSHDSACASA-N 1 2 316.365 1.100 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(Cc1ccc3c(c1)OCO3)C2 ZINC000585094683 354803332 /nfs/dbraw/zinc/80/33/32/354803332.db2.gz HIPOUBJHSMFVQQ-GFCCVEGCSA-N 1 2 301.346 1.068 40 0 DDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NC2CCC2)C1 ZINC000585095966 354803770 /nfs/dbraw/zinc/80/37/70/354803770.db2.gz HRIUPCFCIRGYNE-HONMWMINSA-N 1 2 302.378 1.091 40 0 DDABLO OC[C@H]1CCn2cncc2C[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000585097674 354805917 /nfs/dbraw/zinc/80/59/17/354805917.db2.gz PILYRBFPDBEIOL-CYBMUJFWSA-N 1 2 301.346 1.379 40 0 DDABLO OC[C@H]1CCn2cncc2C[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000585097674 354805923 /nfs/dbraw/zinc/80/59/23/354805923.db2.gz PILYRBFPDBEIOL-CYBMUJFWSA-N 1 2 301.346 1.379 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2sccc2C)Cc2ccnn21 ZINC000585111508 354809365 /nfs/dbraw/zinc/80/93/65/354809365.db2.gz CISIGUAUWONFQE-CYBMUJFWSA-N 1 2 304.419 1.946 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2sccc2C)Cc2ccnn21 ZINC000585111508 354809367 /nfs/dbraw/zinc/80/93/67/354809367.db2.gz CISIGUAUWONFQE-CYBMUJFWSA-N 1 2 304.419 1.946 40 0 DDABLO CCCn1ccc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000585181453 354817771 /nfs/dbraw/zinc/81/77/71/354817771.db2.gz JEAWANMVDWKUIO-ZDUSSCGKSA-N 1 2 303.366 1.538 40 0 DDABLO CNC(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ncccc1C ZINC000257342321 203064406 /nfs/dbraw/zinc/06/44/06/203064406.db2.gz ZOCYQIQNCMRTLO-QGZVFWFLSA-N 1 2 311.389 1.417 40 0 DDABLO CNC(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ncccc1C ZINC000257342321 203064410 /nfs/dbraw/zinc/06/44/10/203064410.db2.gz ZOCYQIQNCMRTLO-QGZVFWFLSA-N 1 2 311.389 1.417 40 0 DDABLO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000019657362 182134941 /nfs/dbraw/zinc/13/49/41/182134941.db2.gz UMBUELCJLPDARQ-CQSZACIVSA-N 1 2 314.389 1.323 40 0 DDABLO CCc1ccccc1O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000020034843 182182014 /nfs/dbraw/zinc/18/20/14/182182014.db2.gz FCEMYXAXTMRCNG-CQSZACIVSA-N 1 2 306.406 1.465 40 0 DDABLO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000035426033 406972157 /nfs/dbraw/zinc/97/21/57/406972157.db2.gz CVGUAUZGYDZMLH-ZDUSSCGKSA-N 1 2 323.360 1.841 40 0 biogenic,in-vitro DDABLO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000035426033 406972159 /nfs/dbraw/zinc/97/21/59/406972159.db2.gz CVGUAUZGYDZMLH-ZDUSSCGKSA-N 1 2 323.360 1.841 40 0 biogenic,in-vitro DDABLO c1cnc(NCc2noc3c2C[N@@H+]([C@H]2CCOC2)CC3)nc1 ZINC000096259738 407258487 /nfs/dbraw/zinc/25/84/87/407258487.db2.gz XVTOYVOXAGVCMT-NSHDSACASA-N 1 2 301.350 1.224 40 0 DDABLO c1cnc(NCc2noc3c2C[N@H+]([C@H]2CCOC2)CC3)nc1 ZINC000096259738 407258488 /nfs/dbraw/zinc/25/84/88/407258488.db2.gz XVTOYVOXAGVCMT-NSHDSACASA-N 1 2 301.350 1.224 40 0 DDABLO O=C(NC1CC1)[C@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041166 407225507 /nfs/dbraw/zinc/22/55/07/407225507.db2.gz ATJZFERIVGFXSW-RWMBFGLXSA-N 1 2 307.419 1.259 40 0 DDABLO O=C(NC1CC1)[C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041166 407225508 /nfs/dbraw/zinc/22/55/08/407225508.db2.gz ATJZFERIVGFXSW-RWMBFGLXSA-N 1 2 307.419 1.259 40 0 DDABLO O=C(c1cccnc1)N1CCC2(C[NH+](Cc3nccs3)C2)C1 ZINC000096046456 407227468 /nfs/dbraw/zinc/22/74/68/407227468.db2.gz URWBLFKWGGBBKY-UHFFFAOYSA-N 1 2 314.414 1.886 40 0 DDABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257206914 407494857 /nfs/dbraw/zinc/49/48/57/407494857.db2.gz BFLNZXKEEOPWOC-CQSZACIVSA-N 1 2 315.377 1.501 40 0 DDABLO CNc1ncccc1C[N@H+]1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257206914 407494863 /nfs/dbraw/zinc/49/48/63/407494863.db2.gz BFLNZXKEEOPWOC-CQSZACIVSA-N 1 2 315.377 1.501 40 0 DDABLO Nc1cc(C(=O)N2CCCC2)ccc1NCC[NH+]1CCOCC1 ZINC000225450857 407587796 /nfs/dbraw/zinc/58/77/96/407587796.db2.gz IOUIAPRAWFCPMY-UHFFFAOYSA-N 1 2 318.421 1.249 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)[nH+]1 ZINC000257268620 407531296 /nfs/dbraw/zinc/53/12/96/407531296.db2.gz MMLZVERVTBQHQE-AWEZNQCLSA-N 1 2 318.421 1.827 40 0 DDABLO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2ccccc2S3(=O)=O)cn1 ZINC000306123731 294239583 /nfs/dbraw/zinc/23/95/83/294239583.db2.gz AUVSNWLEWVWCKG-HIFRSBDPSA-N 1 2 303.387 1.175 40 0 DDABLO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2ccccc2S3(=O)=O)cn1 ZINC000306123731 294239588 /nfs/dbraw/zinc/23/95/88/294239588.db2.gz AUVSNWLEWVWCKG-HIFRSBDPSA-N 1 2 303.387 1.175 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339890 191126461 /nfs/dbraw/zinc/12/64/61/191126461.db2.gz GAOGWIDDQRBKQO-UHFFFAOYSA-N 1 2 322.372 1.536 40 0 DDABLO Cn1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339890 191126464 /nfs/dbraw/zinc/12/64/64/191126464.db2.gz GAOGWIDDQRBKQO-UHFFFAOYSA-N 1 2 322.372 1.536 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN1Cc1[nH+]ccn1C ZINC000072366147 191135451 /nfs/dbraw/zinc/13/54/51/191135451.db2.gz LULRMZWFSPQDCG-LBPRGKRZSA-N 1 2 302.382 1.182 40 0 DDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1c(C)noc1C ZINC000585094804 354803034 /nfs/dbraw/zinc/80/30/34/354803034.db2.gz NLQPCISSSRXWFA-LBPRGKRZSA-N 1 2 318.377 1.629 40 0 DDABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1ccnnc1 ZINC000585097194 354805290 /nfs/dbraw/zinc/80/52/90/354805290.db2.gz INQSMYLQQMETGG-CYBMUJFWSA-N 1 2 301.350 1.124 40 0 DDABLO Cc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257337172 203057118 /nfs/dbraw/zinc/05/71/18/203057118.db2.gz YRSOLFRBQDHCJX-INIZCTEOSA-N 1 2 316.361 1.139 40 0 DDABLO CCOCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020485844 182223284 /nfs/dbraw/zinc/22/32/84/182223284.db2.gz GTJTVSMRGBDKPM-UHFFFAOYSA-N 1 2 306.406 1.675 40 0 DDABLO CCOC(=O)N1CC[NH+](C[C@@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 ZINC000020725169 182244092 /nfs/dbraw/zinc/24/40/92/182244092.db2.gz WJJFJUBWQAAOEM-RRFJBIMHSA-N 1 2 314.426 1.327 40 0 DDABLO Cc1[nH+]c(N2CCN(C=O)CC2)ccc1[C@H](O)c1ccccc1 ZINC000072224728 257123088 /nfs/dbraw/zinc/12/30/88/257123088.db2.gz MXHJYVQENVWSFR-GOSISDBHSA-N 1 2 311.385 1.750 40 0 DDABLO OCC[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377401 406881687 /nfs/dbraw/zinc/88/16/87/406881687.db2.gz PLSZHGDTKDQBIJ-CYBMUJFWSA-N 1 2 300.366 1.530 40 0 DDABLO OCC[N@H+]1CCCC[C@@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377401 406881689 /nfs/dbraw/zinc/88/16/89/406881689.db2.gz PLSZHGDTKDQBIJ-CYBMUJFWSA-N 1 2 300.366 1.530 40 0 DDABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@H+](Cc3cccnc3)C2)c1 ZINC000096188547 407245838 /nfs/dbraw/zinc/24/58/38/407245838.db2.gz YLTQSVCAQRBLOI-INIZCTEOSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@@H]2Cn3ccnc3C[N@@H+](Cc3cccnc3)C2)c1 ZINC000096188547 407245841 /nfs/dbraw/zinc/24/58/41/407245841.db2.gz YLTQSVCAQRBLOI-INIZCTEOSA-N 1 2 308.389 1.807 40 0 DDABLO O=C(C1CC1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096201027 407248615 /nfs/dbraw/zinc/24/86/15/407248615.db2.gz CZOIPIYSIZZTGI-SJORKVTESA-N 1 2 315.417 1.336 40 0 DDABLO c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@H]2CCCO2)nc1 ZINC000107745257 407379109 /nfs/dbraw/zinc/37/91/09/407379109.db2.gz AWSNCMOQEFYRPS-ZACQAIPSSA-N 1 2 303.406 1.146 40 0 DDABLO c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@H]2CCCO2)nc1 ZINC000107745257 407379111 /nfs/dbraw/zinc/37/91/11/407379111.db2.gz AWSNCMOQEFYRPS-ZACQAIPSSA-N 1 2 303.406 1.146 40 0 DDABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2[nH]c(C)c[nH+]2)C1 ZINC000257217706 407501361 /nfs/dbraw/zinc/50/13/61/407501361.db2.gz DAGRYKUUZHNVOF-GFCCVEGCSA-N 1 2 300.428 1.484 40 0 DDABLO Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257228762 407506776 /nfs/dbraw/zinc/50/67/76/407506776.db2.gz FVDGVDSYIZSADY-MRXNPFEDSA-N 1 2 316.361 1.091 40 0 DDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cccnc3)CC[N@@H+]2C)c1 ZINC000257242175 407513889 /nfs/dbraw/zinc/51/38/89/407513889.db2.gz IBKIWNXVGBZKKL-SFHVURJKSA-N 1 2 324.428 1.930 40 0 DDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cccnc3)CC[N@H+]2C)c1 ZINC000257242175 407513897 /nfs/dbraw/zinc/51/38/97/407513897.db2.gz IBKIWNXVGBZKKL-SFHVURJKSA-N 1 2 324.428 1.930 40 0 DDABLO C[N@H+](CC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12)Cc1cccnc1 ZINC000257291890 407532963 /nfs/dbraw/zinc/53/29/63/407532963.db2.gz QJBUMELNHFQMTE-NUJGCVRESA-N 1 2 317.433 1.665 40 0 DDABLO C[N@@H+](CC(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12)Cc1cccnc1 ZINC000257291890 407532971 /nfs/dbraw/zinc/53/29/71/407532971.db2.gz QJBUMELNHFQMTE-NUJGCVRESA-N 1 2 317.433 1.665 40 0 DDABLO Cc1nc(SCC(=O)N2CC[NH+](C)CC2)nc2c1CCC2 ZINC000408558362 418809854 /nfs/dbraw/zinc/80/98/54/418809854.db2.gz UCJBVDFHPWXSHJ-UHFFFAOYSA-N 1 2 306.435 1.140 40 0 DDABLO COCCN1CCN(C(=O)c2ccco2)Cc2ccc[nH+]c21 ZINC000096060930 277224773 /nfs/dbraw/zinc/22/47/73/277224773.db2.gz BGOGYGLUMFKGJV-UHFFFAOYSA-N 1 2 301.346 1.783 40 0 DDABLO O=C(NCCCn1cc[nH+]c1)c1cccc(N2CCCC2=O)c1 ZINC000198349066 526291280 /nfs/dbraw/zinc/29/12/80/526291280.db2.gz FQKBUORJAJSTEL-UHFFFAOYSA-N 1 2 312.373 1.830 40 0 DDABLO COC[C@@H]1Cc2c(ncn2C)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000585094541 354802956 /nfs/dbraw/zinc/80/29/56/354802956.db2.gz AMNKMNLZRHSTJL-HNNXBMFYSA-N 1 2 301.390 1.486 40 0 DDABLO COC[C@@H]1Cc2c(ncn2C)C[N@H+]1Cc1ccc(CO)cc1 ZINC000585094541 354802960 /nfs/dbraw/zinc/80/29/60/354802960.db2.gz AMNKMNLZRHSTJL-HNNXBMFYSA-N 1 2 301.390 1.486 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1ccc(CO)cc1 ZINC000585094541 354802964 /nfs/dbraw/zinc/80/29/64/354802964.db2.gz AMNKMNLZRHSTJL-HNNXBMFYSA-N 1 2 301.390 1.486 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccccc1C ZINC000585094754 354803266 /nfs/dbraw/zinc/80/32/66/354803266.db2.gz KQSHNAPPYAAQNR-OAHLLOKOSA-N 1 2 313.401 1.871 40 0 DDABLO COCC(=O)N1Cc2c[nH+]cn2CC[C@H]1COc1ccccc1 ZINC000585096924 354805022 /nfs/dbraw/zinc/80/50/22/354805022.db2.gz FQDFPGJDABAKQI-AWEZNQCLSA-N 1 2 315.373 1.709 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)[nH+]1 ZINC000257243701 202977149 /nfs/dbraw/zinc/97/71/49/202977149.db2.gz IIEOQWJEYIVDBQ-CYBMUJFWSA-N 1 2 301.394 1.790 40 0 DDABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cnc(OC)nc2)n1 ZINC000257292617 203017348 /nfs/dbraw/zinc/01/73/48/203017348.db2.gz QMHKAQIAMYIMNJ-ZDUSSCGKSA-N 1 2 300.366 1.654 40 0 DDABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2cnc(OC)nc2)n1 ZINC000257292617 203017351 /nfs/dbraw/zinc/01/73/51/203017351.db2.gz QMHKAQIAMYIMNJ-ZDUSSCGKSA-N 1 2 300.366 1.654 40 0 DDABLO CN(C)S(=O)(=O)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257294865 203019534 /nfs/dbraw/zinc/01/95/34/203019534.db2.gz QWAKLZYZNGREMH-LBPRGKRZSA-N 1 2 308.407 1.320 40 0 DDABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(N)=O)C2)on1 ZINC000012154618 406837777 /nfs/dbraw/zinc/83/77/77/406837777.db2.gz YKHQANWMPIMQGE-LBPRGKRZSA-N 1 2 315.377 1.413 40 0 DDABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(N)=O)C2)on1 ZINC000012154618 406837781 /nfs/dbraw/zinc/83/77/81/406837781.db2.gz YKHQANWMPIMQGE-LBPRGKRZSA-N 1 2 315.377 1.413 40 0 DDABLO CC(=O)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000027228771 406909361 /nfs/dbraw/zinc/90/93/61/406909361.db2.gz KFLMJLOBTBXGAN-VNHYZAJKSA-N 1 2 307.390 1.738 40 0 DDABLO CC(=O)c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000027228771 406909364 /nfs/dbraw/zinc/90/93/64/406909364.db2.gz KFLMJLOBTBXGAN-VNHYZAJKSA-N 1 2 307.390 1.738 40 0 DDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)Cc1ccccc1)C2 ZINC000096090996 407236321 /nfs/dbraw/zinc/23/63/21/407236321.db2.gz BTGHWAFPLSALGN-UHFFFAOYSA-N 1 2 321.384 1.750 40 0 DDABLO c1cn2c(n1)C[N@H+](Cc1cccnc1)C[C@H](Cn1cncn1)C2 ZINC000096188621 407245951 /nfs/dbraw/zinc/24/59/51/407245951.db2.gz FTEYFXXGPZZNOX-HNNXBMFYSA-N 1 2 309.377 1.202 40 0 DDABLO c1cn2c(n1)C[N@@H+](Cc1cccnc1)C[C@H](Cn1cncn1)C2 ZINC000096188621 407245955 /nfs/dbraw/zinc/24/59/55/407245955.db2.gz FTEYFXXGPZZNOX-HNNXBMFYSA-N 1 2 309.377 1.202 40 0 DDABLO CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257204224 407494884 /nfs/dbraw/zinc/49/48/84/407494884.db2.gz ATPKGMFDIPYDND-UMVBOHGHSA-N 1 2 318.377 1.579 40 0 DDABLO CCS(=O)(=O)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000253489392 407456410 /nfs/dbraw/zinc/45/64/10/407456410.db2.gz FBNVGSFRKSFQLF-CYBMUJFWSA-N 1 2 322.390 1.064 40 0 DDABLO Cc1ccn(CCC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257237727 407510779 /nfs/dbraw/zinc/51/07/79/407510779.db2.gz HHWUDBDSEOYKSX-CYBMUJFWSA-N 1 2 303.366 1.213 40 0 DDABLO COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000257291614 407532743 /nfs/dbraw/zinc/53/27/43/407532743.db2.gz QHWGLZSLMWXZJZ-KRWDZBQOSA-N 1 2 314.389 1.824 40 0 DDABLO COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2c[nH]c[nH+]2)cc1 ZINC000257291614 407532745 /nfs/dbraw/zinc/53/27/45/407532745.db2.gz QHWGLZSLMWXZJZ-KRWDZBQOSA-N 1 2 314.389 1.824 40 0 DDABLO Cc1ccc(-c2nnsc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000225775512 407604990 /nfs/dbraw/zinc/60/49/90/407604990.db2.gz QQBWNLYWSSNHGO-UHFFFAOYSA-N 1 2 302.403 1.901 40 0 DDABLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000192586729 408613449 /nfs/dbraw/zinc/61/34/49/408613449.db2.gz JVKAPEUKKDKWFT-LSDHHAIUSA-N 1 2 320.437 1.596 40 0 DDABLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000192586729 408613451 /nfs/dbraw/zinc/61/34/51/408613451.db2.gz JVKAPEUKKDKWFT-LSDHHAIUSA-N 1 2 320.437 1.596 40 0 DDABLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836638 185389240 /nfs/dbraw/zinc/38/92/40/185389240.db2.gz DILYNYQMMUIMOM-ZFWWWQNUSA-N 1 2 304.321 1.482 40 0 DDABLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836638 185389241 /nfs/dbraw/zinc/38/92/41/185389241.db2.gz DILYNYQMMUIMOM-ZFWWWQNUSA-N 1 2 304.321 1.482 40 0 DDABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@@H](Cn3cccn3)CC[C@H]21 ZINC000306140624 231090126 /nfs/dbraw/zinc/09/01/26/231090126.db2.gz UZCVUJAHTCHMCG-IIAWOOMASA-N 1 2 301.394 1.296 40 0 DDABLO Cc1nc(N2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)cc[nH+]1 ZINC000072385857 191144337 /nfs/dbraw/zinc/14/43/37/191144337.db2.gz XPKFOARSFOHFCF-NSHDSACASA-N 1 2 321.406 1.296 40 0 DDABLO COCCc1c[nH+]c2n1CCN(Cc1cc(C)nn1C)[C@H]2C ZINC000585096923 354804945 /nfs/dbraw/zinc/80/49/45/354804945.db2.gz CPQRAGONQAOLPQ-ZDUSSCGKSA-N 1 2 303.410 1.691 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc(OC)c2)Cc2ccnn21 ZINC000585113113 354810112 /nfs/dbraw/zinc/81/01/12/354810112.db2.gz ZZSILUAQNZEZAQ-OAHLLOKOSA-N 1 2 314.389 1.585 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc(OC)c2)Cc2ccnn21 ZINC000585113113 354810116 /nfs/dbraw/zinc/81/01/16/354810116.db2.gz ZZSILUAQNZEZAQ-OAHLLOKOSA-N 1 2 314.389 1.585 40 0 DDABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccc(F)cc2Cl)[C@@H]1O ZINC000585291142 354826110 /nfs/dbraw/zinc/82/61/10/354826110.db2.gz KYLXCAZWXCYRFX-MCIONIFRSA-N 1 2 303.761 1.686 40 0 DDABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc(F)cc2Cl)[C@@H]1O ZINC000585291142 354826112 /nfs/dbraw/zinc/82/61/12/354826112.db2.gz KYLXCAZWXCYRFX-MCIONIFRSA-N 1 2 303.761 1.686 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)[nH+]1 ZINC000257277473 203006889 /nfs/dbraw/zinc/00/68/89/203006889.db2.gz NYCUFIKIPCYPBG-CQSZACIVSA-N 1 2 310.361 1.977 40 0 DDABLO CCC(=O)N1c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2C[C@@H]1C ZINC000019499222 182126082 /nfs/dbraw/zinc/12/60/82/182126082.db2.gz IDBPPVFYGJUNHH-GUYCJALGSA-N 1 2 318.417 1.740 40 0 DDABLO COCCN1CCN(C(=O)[C@H]2CCCO2)Cc2ccc[nH+]c21 ZINC000096198873 285046995 /nfs/dbraw/zinc/04/69/95/285046995.db2.gz YZLBUJNMCSRBAQ-CQSZACIVSA-N 1 2 305.378 1.056 40 0 DDABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCN(C=O)CC1 ZINC000072222641 257123622 /nfs/dbraw/zinc/12/36/22/257123622.db2.gz RCHACGCETFSENW-QGZVFWFLSA-N 1 2 311.385 1.750 40 0 DDABLO Cn1nccc1C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012146035 406836820 /nfs/dbraw/zinc/83/68/20/406836820.db2.gz ZRVUVMNPVGZBQM-UHFFFAOYSA-N 1 2 312.373 1.535 40 0 DDABLO CC(C)[N@@H+]1CCc2ncn(C)c2[C@@H]1C(=O)NCc1ccncc1 ZINC000096264925 407257766 /nfs/dbraw/zinc/25/77/66/407257766.db2.gz PSMSKPBNJIAIGR-MRXNPFEDSA-N 1 2 313.405 1.439 40 0 DDABLO CC(C)[N@H+]1CCc2ncn(C)c2[C@@H]1C(=O)NCc1ccncc1 ZINC000096264925 407257767 /nfs/dbraw/zinc/25/77/67/407257767.db2.gz PSMSKPBNJIAIGR-MRXNPFEDSA-N 1 2 313.405 1.439 40 0 DDABLO CC(C)NC(=O)[C@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041116 407225567 /nfs/dbraw/zinc/22/55/67/407225567.db2.gz JQBQUEADGJGIBG-RWMBFGLXSA-N 1 2 309.435 1.505 40 0 DDABLO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096041116 407225569 /nfs/dbraw/zinc/22/55/69/407225569.db2.gz JQBQUEADGJGIBG-RWMBFGLXSA-N 1 2 309.435 1.505 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccccn1 ZINC000096062109 407231459 /nfs/dbraw/zinc/23/14/59/407231459.db2.gz AXPIMHSQTZMPAE-LBPRGKRZSA-N 1 2 323.360 1.135 40 0 DDABLO COCCN1CCO[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@@H]21 ZINC000108532321 407387535 /nfs/dbraw/zinc/38/75/35/407387535.db2.gz NCUNSDXWYMISJL-KBPBESRZSA-N 1 2 311.451 1.373 40 0 DDABLO COCCN1CCO[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@@H]21 ZINC000108532321 407387537 /nfs/dbraw/zinc/38/75/37/407387537.db2.gz NCUNSDXWYMISJL-KBPBESRZSA-N 1 2 311.451 1.373 40 0 DDABLO CCOCC(=O)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000248304421 408547550 /nfs/dbraw/zinc/54/75/50/408547550.db2.gz MEVVEZMOJSNPHX-AWEZNQCLSA-N 1 2 319.405 1.538 40 0 DDABLO C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1C1CCOCC1 ZINC000096070195 278112734 /nfs/dbraw/zinc/11/27/34/278112734.db2.gz TZZQBMZJAGSXRQ-GFCCVEGCSA-N 1 2 318.421 1.465 40 0 DDABLO C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1C1CCOCC1 ZINC000096070195 278112735 /nfs/dbraw/zinc/11/27/35/278112735.db2.gz TZZQBMZJAGSXRQ-GFCCVEGCSA-N 1 2 318.421 1.465 40 0 DDABLO O=C(N1CCCC1)N1CCC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096073906 303670021 /nfs/dbraw/zinc/67/00/21/303670021.db2.gz ALABZIVCALRDNJ-GDBMZVCRSA-N 1 2 304.394 1.895 40 0 DDABLO Cc1nc(C(=O)NCC[C@H]2C[N@@H+](C)Cc3ccnn32)cs1 ZINC000585112985 354810566 /nfs/dbraw/zinc/81/05/66/354810566.db2.gz ZNIQFOQFVPSBHS-NSHDSACASA-N 1 2 305.407 1.455 40 0 DDABLO Cc1nc(C(=O)NCC[C@H]2C[N@H+](C)Cc3ccnn32)cs1 ZINC000585112985 354810568 /nfs/dbraw/zinc/81/05/68/354810568.db2.gz ZNIQFOQFVPSBHS-NSHDSACASA-N 1 2 305.407 1.455 40 0 DDABLO CCCn1ccnc1C[N@@H+]1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585279373 354822283 /nfs/dbraw/zinc/82/22/83/354822283.db2.gz YJRLDCJQLOYCRO-GJZGRUSLSA-N 1 2 320.437 1.098 40 0 DDABLO CCCn1ccnc1C[N@H+]1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585279373 354822288 /nfs/dbraw/zinc/82/22/88/354822288.db2.gz YJRLDCJQLOYCRO-GJZGRUSLSA-N 1 2 320.437 1.098 40 0 DDABLO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](C3COC3)CC[C@@H]2O)c1 ZINC000585288153 354824141 /nfs/dbraw/zinc/82/41/41/354824141.db2.gz YAGSIWQGPGVUQB-ROUUACIJSA-N 1 2 321.417 1.187 40 0 DDABLO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](C3COC3)CC[C@@H]2O)c1 ZINC000585288153 354824145 /nfs/dbraw/zinc/82/41/45/354824145.db2.gz YAGSIWQGPGVUQB-ROUUACIJSA-N 1 2 321.417 1.187 40 0 DDABLO COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1c[nH+]c[nH]1 ZINC000257304672 203029505 /nfs/dbraw/zinc/02/95/05/203029505.db2.gz SMQZYABIPMCTGN-MRXNPFEDSA-N 1 2 314.389 1.824 40 0 DDABLO COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1c[nH]c[nH+]1 ZINC000257304672 203029508 /nfs/dbraw/zinc/02/95/08/203029508.db2.gz SMQZYABIPMCTGN-MRXNPFEDSA-N 1 2 314.389 1.824 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc32)[nH+]1 ZINC000257287713 203014362 /nfs/dbraw/zinc/01/43/62/203014362.db2.gz PRFCXXNABFMZNA-CYBMUJFWSA-N 1 2 323.356 1.932 40 0 DDABLO CCOC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000072347627 285908697 /nfs/dbraw/zinc/90/86/97/285908697.db2.gz JOOHKJIFISEBIC-LBPRGKRZSA-N 1 2 318.373 1.553 40 0 DDABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(C)=O ZINC000012530240 406846880 /nfs/dbraw/zinc/84/68/80/406846880.db2.gz BDYHZPNFESVBDI-HNNXBMFYSA-N 1 2 313.357 1.378 40 0 biogenic,in-vitro DDABLO c1[nH]c(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)c[nH+]1 ZINC000096296186 407259132 /nfs/dbraw/zinc/25/91/32/407259132.db2.gz UYHNWOOTRXMMFT-HNNXBMFYSA-N 1 2 310.361 1.768 40 0 biogenic,in-vitro DDABLO c1[nH]cc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)[nH+]1 ZINC000096296186 407259134 /nfs/dbraw/zinc/25/91/34/407259134.db2.gz UYHNWOOTRXMMFT-HNNXBMFYSA-N 1 2 310.361 1.768 40 0 biogenic,in-vitro DDABLO Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257200956 407491701 /nfs/dbraw/zinc/49/17/01/407491701.db2.gz AFMUTIGQYJXHGK-MRXNPFEDSA-N 1 2 316.361 1.091 40 0 DDABLO CNc1cc([C@@H]2CCCN2c2nc(OC)nc(OC)n2)cc[nH+]1 ZINC000257235524 407509768 /nfs/dbraw/zinc/50/97/68/407509768.db2.gz GYEYGLKJGVOEBC-NSHDSACASA-N 1 2 316.365 1.667 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2C[N@H+](Cc3ncc[nH]3)CC[C@H]21 ZINC000257224639 407502671 /nfs/dbraw/zinc/50/26/71/407502671.db2.gz FCRJAYXFKZCQHH-QWHCGFSZSA-N 1 2 312.439 1.046 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2C[N@@H+](Cc3ncc[nH]3)CC[C@H]21 ZINC000257224639 407502674 /nfs/dbraw/zinc/50/26/74/407502674.db2.gz FCRJAYXFKZCQHH-QWHCGFSZSA-N 1 2 312.439 1.046 40 0 DDABLO CS(=O)(=O)N1CCCC[C@H]2CN(Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000257224639 407502681 /nfs/dbraw/zinc/50/26/81/407502681.db2.gz FCRJAYXFKZCQHH-QWHCGFSZSA-N 1 2 312.439 1.046 40 0 DDABLO Cn1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)n1 ZINC000257226381 407503415 /nfs/dbraw/zinc/50/34/15/407503415.db2.gz FKKUTOFHETYBHA-IRXDYDNUSA-N 1 2 319.380 1.964 40 0 DDABLO Cn1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)n1 ZINC000257226381 407503423 /nfs/dbraw/zinc/50/34/23/407503423.db2.gz FKKUTOFHETYBHA-IRXDYDNUSA-N 1 2 319.380 1.964 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257251777 407520121 /nfs/dbraw/zinc/52/01/21/407520121.db2.gz JSDVAGXMXAMBGD-LBPRGKRZSA-N 1 2 310.361 1.781 40 0 DDABLO CCn1cc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)c(C)n1 ZINC000257263014 407527379 /nfs/dbraw/zinc/52/73/79/407527379.db2.gz LNZODJAEZCYCIZ-CYBMUJFWSA-N 1 2 303.366 1.457 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(NCCCO)[nH+]cn1)C2 ZINC000328979231 410035311 /nfs/dbraw/zinc/03/53/11/410035311.db2.gz GFKKHTSSAQGFML-UHFFFAOYSA-N 1 2 314.389 1.842 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(NCCCO)nc[nH+]1)C2 ZINC000328979231 410035316 /nfs/dbraw/zinc/03/53/16/410035316.db2.gz GFKKHTSSAQGFML-UHFFFAOYSA-N 1 2 314.389 1.842 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131173930 196146668 /nfs/dbraw/zinc/14/66/68/196146668.db2.gz MQVCRQNBHQCYJI-HNNXBMFYSA-N 1 2 313.405 1.844 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000131173930 196146671 /nfs/dbraw/zinc/14/66/71/196146671.db2.gz MQVCRQNBHQCYJI-HNNXBMFYSA-N 1 2 313.405 1.844 40 0 DDABLO COc1cccc(C(=S)NCC[NH+]2CCOCC2)c1OC ZINC000408572497 418809630 /nfs/dbraw/zinc/80/96/30/418809630.db2.gz IQGFBTOMJJFEBO-UHFFFAOYSA-N 1 2 310.419 1.301 40 0 DDABLO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133362 526894967 /nfs/dbraw/zinc/89/49/67/526894967.db2.gz MJNPVEWDZPALFJ-IRXDYDNUSA-N 1 2 322.405 1.422 40 0 DDABLO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133362 526894976 /nfs/dbraw/zinc/89/49/76/526894976.db2.gz MJNPVEWDZPALFJ-IRXDYDNUSA-N 1 2 322.405 1.422 40 0 DDABLO O=C(CSCc1ccccc1F)NCC[NH+]1CCOCC1 ZINC000222704584 539265730 /nfs/dbraw/zinc/26/57/30/539265730.db2.gz UZBPXQICWIFDEX-UHFFFAOYSA-N 1 2 312.410 1.507 40 0 DDABLO COCC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1cc[nH+]c(N)c1 ZINC000072360812 191131656 /nfs/dbraw/zinc/13/16/56/191131656.db2.gz RWWKGAWBLNRWTF-ZDUSSCGKSA-N 1 2 315.377 1.754 40 0 DDABLO COCCNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072364901 191134590 /nfs/dbraw/zinc/13/45/90/191134590.db2.gz NFWCANJKNDJGNW-GFCCVEGCSA-N 1 2 313.423 1.279 40 0 DDABLO COCC(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378456 191141417 /nfs/dbraw/zinc/14/14/17/191141417.db2.gz POZWPYSZNMSNSJ-ZDUSSCGKSA-N 1 2 300.362 1.620 40 0 DDABLO Cc1nc2ccccn2c1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000585171871 354816949 /nfs/dbraw/zinc/81/69/49/354816949.db2.gz JVAIDJGADAUESD-ZDUSSCGKSA-N 1 2 316.405 1.022 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)C(C)(C)n3cncn3)C2)[nH+]1 ZINC000585181402 354817697 /nfs/dbraw/zinc/81/76/97/354817697.db2.gz QFYBZTKKWLDTCA-CYBMUJFWSA-N 1 2 316.409 1.461 40 0 DDABLO CCCc1cc(C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)no1 ZINC000257268633 203000031 /nfs/dbraw/zinc/00/00/31/203000031.db2.gz MMNIYISLWPCALD-MRVWCRGKSA-N 1 2 304.350 1.318 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257272622 203001367 /nfs/dbraw/zinc/00/13/67/203001367.db2.gz NDCUMHDZECPUJX-OAHLLOKOSA-N 1 2 301.394 1.753 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257272622 203001370 /nfs/dbraw/zinc/00/13/70/203001370.db2.gz NDCUMHDZECPUJX-OAHLLOKOSA-N 1 2 301.394 1.753 40 0 DDABLO Cc1cc2nc([C@@H]3CCCCN3C(=O)Cn3cc[nH+]c3)ccn2n1 ZINC000257246765 202978973 /nfs/dbraw/zinc/97/89/73/202978973.db2.gz IVTKXVSOKVRIFV-HNNXBMFYSA-N 1 2 324.388 1.988 40 0 DDABLO CCCc1cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)no1 ZINC000257298518 203023421 /nfs/dbraw/zinc/02/34/21/203023421.db2.gz RMBGZGDPTXCGEE-GJZGRUSLSA-N 1 2 318.377 1.662 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257306858 203031812 /nfs/dbraw/zinc/03/18/12/203031812.db2.gz SWHQVLJZMZDYBT-HOTGVXAUSA-N 1 2 319.380 1.964 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257306858 203031816 /nfs/dbraw/zinc/03/18/16/203031816.db2.gz SWHQVLJZMZDYBT-HOTGVXAUSA-N 1 2 319.380 1.964 40 0 DDABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](Cc2ccncc2)C1 ZINC000015674044 182012085 /nfs/dbraw/zinc/01/20/85/182012085.db2.gz IPDFVSQUOSEPKS-OCCSQVGLSA-N 1 2 324.344 1.230 40 0 biogenic,in-vitro DDABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](Cc2ccncc2)C1 ZINC000015674044 182012087 /nfs/dbraw/zinc/01/20/87/182012087.db2.gz IPDFVSQUOSEPKS-OCCSQVGLSA-N 1 2 324.344 1.230 40 0 biogenic,in-vitro DDABLO O[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC[C@H]1N1CCOCC1 ZINC000019292949 182113788 /nfs/dbraw/zinc/11/37/88/182113788.db2.gz UHCBSJVBHSLIMA-HZPDHXFCSA-N 1 2 312.360 1.232 40 0 DDABLO O[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@H]1N1CCOCC1 ZINC000019292949 182113791 /nfs/dbraw/zinc/11/37/91/182113791.db2.gz UHCBSJVBHSLIMA-HZPDHXFCSA-N 1 2 312.360 1.232 40 0 DDABLO Cc1cc(=O)n(CC(=O)NCCn2cc[nH+]c2)c2ccccc12 ZINC000019566520 182130054 /nfs/dbraw/zinc/13/00/54/182130054.db2.gz SLWUWIFPKUBQNC-UHFFFAOYSA-N 1 2 310.357 1.323 40 0 DDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2C[C@H](C(=O)N(C)C)C1 ZINC000104784667 194039852 /nfs/dbraw/zinc/03/98/52/194039852.db2.gz LWFWRGBFYQTTBX-CYBMUJFWSA-N 1 2 317.393 1.208 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2C[C@H](C(=O)N(C)C)C1 ZINC000104784667 194039855 /nfs/dbraw/zinc/03/98/55/194039855.db2.gz LWFWRGBFYQTTBX-CYBMUJFWSA-N 1 2 317.393 1.208 40 0 DDABLO CCN(CC)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000006948151 406745030 /nfs/dbraw/zinc/74/50/30/406745030.db2.gz GLCABISMYUXYIZ-UHFFFAOYSA-N 1 2 303.406 1.199 40 0 DDABLO Cn1cc[nH+]c1CN1CCN2C(=O)N(c3ccccc3)C[C@H]2C1 ZINC000077266518 406982003 /nfs/dbraw/zinc/98/20/03/406982003.db2.gz SFPHHKAKWCWOAY-OAHLLOKOSA-N 1 2 311.389 1.547 40 0 biogenic,in-vitro DDABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(C)ccc1OC ZINC000036741474 406982617 /nfs/dbraw/zinc/98/26/17/406982617.db2.gz GXVUPCUUSAAFLZ-INIZCTEOSA-N 1 2 320.433 1.773 40 0 DDABLO COCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045001 407226407 /nfs/dbraw/zinc/22/64/07/407226407.db2.gz OHJQXVQZDLZJLZ-OAHLLOKOSA-N 1 2 323.437 1.409 40 0 DDABLO COCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045001 407226408 /nfs/dbraw/zinc/22/64/08/407226408.db2.gz OHJQXVQZDLZJLZ-OAHLLOKOSA-N 1 2 323.437 1.409 40 0 DDABLO c1ccc(CN2CCn3c(C[NH+]4CCCCC4)nnc3C2)nc1 ZINC000096084953 407236011 /nfs/dbraw/zinc/23/60/11/407236011.db2.gz UAFFFUKTGUDVSI-UHFFFAOYSA-N 1 2 312.421 1.675 40 0 DDABLO CS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096185866 407245894 /nfs/dbraw/zinc/24/58/94/407245894.db2.gz SHNMRPDYXLBKJF-JHJVBQTASA-N 1 2 316.448 1.029 40 0 DDABLO CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096185866 407245895 /nfs/dbraw/zinc/24/58/95/407245895.db2.gz SHNMRPDYXLBKJF-JHJVBQTASA-N 1 2 316.448 1.029 40 0 DDABLO COc1ccccc1[C@@H]1CN(Cc2c[nH+]c[nH]2)CCN1C(C)=O ZINC000257204455 407494508 /nfs/dbraw/zinc/49/45/08/407494508.db2.gz AURUARNOPJFRHL-INIZCTEOSA-N 1 2 314.389 1.824 40 0 DDABLO COc1ccccc1[C@@H]1CN(Cc2c[nH]c[nH+]2)CCN1C(C)=O ZINC000257204455 407494515 /nfs/dbraw/zinc/49/45/15/407494515.db2.gz AURUARNOPJFRHL-INIZCTEOSA-N 1 2 314.389 1.824 40 0 DDABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)cc[nH+]1 ZINC000257216728 407501510 /nfs/dbraw/zinc/50/15/10/407501510.db2.gz CVVRRTVJDLGHPP-GFCCVEGCSA-N 1 2 313.361 1.226 40 0 DDABLO Cc1nccc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257225055 407503953 /nfs/dbraw/zinc/50/39/53/407503953.db2.gz FEPKIRIEJVBKSK-HNNXBMFYSA-N 1 2 315.377 1.362 40 0 DDABLO c1cnc(N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)nc1 ZINC000253596809 407461829 /nfs/dbraw/zinc/46/18/29/407461829.db2.gz WEMHBVGPSUVWMQ-CQSZACIVSA-N 1 2 311.389 1.969 40 0 DDABLO C[C@@]1(C(N)=O)C[N@H+](Cc2cccc(Br)c2)CCO1 ZINC000257257866 407523911 /nfs/dbraw/zinc/52/39/11/407523911.db2.gz KRKGINAZVYPPAJ-ZDUSSCGKSA-N 1 2 313.195 1.525 40 0 DDABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2cccc(Br)c2)CCO1 ZINC000257257866 407523913 /nfs/dbraw/zinc/52/39/13/407523913.db2.gz KRKGINAZVYPPAJ-ZDUSSCGKSA-N 1 2 313.195 1.525 40 0 DDABLO OCCNc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329045562 231426207 /nfs/dbraw/zinc/42/62/07/231426207.db2.gz TWXBMNLNHDWBBX-UHFFFAOYSA-N 1 2 306.316 1.624 40 0 DDABLO Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000059843313 282241044 /nfs/dbraw/zinc/24/10/44/282241044.db2.gz LXCFGCIAPKOTBR-UHFFFAOYSA-N 1 2 319.796 1.617 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746808 352169890 /nfs/dbraw/zinc/16/98/90/352169890.db2.gz VGJFINJUBKHOTG-MRXNPFEDSA-N 1 2 306.410 1.070 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746808 352169893 /nfs/dbraw/zinc/16/98/93/352169893.db2.gz VGJFINJUBKHOTG-MRXNPFEDSA-N 1 2 306.410 1.070 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398546 353734145 /nfs/dbraw/zinc/73/41/45/353734145.db2.gz ASTMRLPYJIVQKR-RWMBFGLXSA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398546 353734147 /nfs/dbraw/zinc/73/41/47/353734147.db2.gz ASTMRLPYJIVQKR-RWMBFGLXSA-N 1 2 323.389 1.315 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](Cc1cccnc1)C2 ZINC000585110790 354809616 /nfs/dbraw/zinc/80/96/16/354809616.db2.gz GQHMTXYYDNTABE-AWEZNQCLSA-N 1 2 311.389 1.147 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000585110790 354809618 /nfs/dbraw/zinc/80/96/18/354809618.db2.gz GQHMTXYYDNTABE-AWEZNQCLSA-N 1 2 311.389 1.147 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000585181445 354817685 /nfs/dbraw/zinc/81/76/85/354817685.db2.gz BJFKTVYTQJPWDF-ZDUSSCGKSA-N 1 2 303.366 1.295 40 0 DDABLO Cc1nc(N2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)cc[nH+]1 ZINC000585182031 354817803 /nfs/dbraw/zinc/81/78/03/354817803.db2.gz KHEYSJVPLFVEHM-NSHDSACASA-N 1 2 321.406 1.643 40 0 DDABLO C[C@@]12CCN(C(=O)/C=C/C[NH+]3CCOCC3)[C@@H]1CC[C@@H](O)C2 ZINC000585290865 354825041 /nfs/dbraw/zinc/82/50/41/354825041.db2.gz IHMRTIJPGSNNLP-KLSWABSNSA-N 1 2 308.422 1.027 40 0 DDABLO CN(CN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)c1cccc[nH+]1 ZINC000005832507 181287534 /nfs/dbraw/zinc/28/75/34/181287534.db2.gz ZXDGVAMJEFKTIL-HNNXBMFYSA-N 1 2 322.368 1.864 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2cc(Cl)cn2)[nH+]1 ZINC000257301394 203025021 /nfs/dbraw/zinc/02/50/21/203025021.db2.gz RYHIONQHCQZJNR-NSHDSACASA-N 1 2 309.757 1.168 40 0 DDABLO CNc1cccc([C@@H]2C[N@H+](Cc3cnn(C)c3C)CCO2)n1 ZINC000257313345 203035699 /nfs/dbraw/zinc/03/56/99/203035699.db2.gz URZKRWSFVACYFV-HNNXBMFYSA-N 1 2 301.394 1.739 40 0 DDABLO CNc1cccc([C@@H]2C[N@@H+](Cc3cnn(C)c3C)CCO2)n1 ZINC000257313345 203035701 /nfs/dbraw/zinc/03/57/01/203035701.db2.gz URZKRWSFVACYFV-HNNXBMFYSA-N 1 2 301.394 1.739 40 0 DDABLO C[N@@H+]1CCN(S(=O)(=O)c2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000257306419 203032207 /nfs/dbraw/zinc/03/22/07/203032207.db2.gz SUEYMBFPKSMXBT-AWEZNQCLSA-N 1 2 306.391 1.087 40 0 DDABLO C[N@H+]1CCN(S(=O)(=O)c2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000257306419 203032210 /nfs/dbraw/zinc/03/22/10/203032210.db2.gz SUEYMBFPKSMXBT-AWEZNQCLSA-N 1 2 306.391 1.087 40 0 DDABLO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257317070 203040277 /nfs/dbraw/zinc/04/02/77/203040277.db2.gz VIFUMAFPNITDMC-CYBMUJFWSA-N 1 2 312.439 1.847 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257326388 203049463 /nfs/dbraw/zinc/04/94/63/203049463.db2.gz WXAWBKNYQRNGHA-AWEZNQCLSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257326388 203049466 /nfs/dbraw/zinc/04/94/66/203049466.db2.gz WXAWBKNYQRNGHA-AWEZNQCLSA-N 1 2 317.418 1.906 40 0 DDABLO Fc1ccc(-c2cc(C[NH+]3CCOCC3)c3nnnn3c2)cc1 ZINC000019336590 182117186 /nfs/dbraw/zinc/11/71/86/182117186.db2.gz AJNQXLZNGPGSOR-UHFFFAOYSA-N 1 2 313.336 1.763 40 0 DDABLO COC(=O)c1cc2c(ccn(CCc3c[nH+]c[nH]3)c2=O)nc1C ZINC000038784614 183010045 /nfs/dbraw/zinc/01/00/45/183010045.db2.gz JNSYEPPASSQJLX-UHFFFAOYSA-N 1 2 312.329 1.457 40 0 DDABLO COC(=O)c1cc2c(ccn(CCc3c[nH]c[nH+]3)c2=O)nc1C ZINC000038784614 183010046 /nfs/dbraw/zinc/01/00/46/183010046.db2.gz JNSYEPPASSQJLX-UHFFFAOYSA-N 1 2 312.329 1.457 40 0 DDABLO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)NC1CC1 ZINC000096217361 407251574 /nfs/dbraw/zinc/25/15/74/407251574.db2.gz DPOYOCVVDUMADP-RAIGVLPGSA-N 1 2 307.419 1.259 40 0 DDABLO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)NC1CC1 ZINC000096217361 407251575 /nfs/dbraw/zinc/25/15/75/407251575.db2.gz DPOYOCVVDUMADP-RAIGVLPGSA-N 1 2 307.419 1.259 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CCOCC2)C1 ZINC000096218148 407252219 /nfs/dbraw/zinc/25/22/19/407252219.db2.gz NDTDWVYFIJKLME-HNNXBMFYSA-N 1 2 307.394 1.305 40 0 DDABLO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3nccs3)C2)n1 ZINC000096064920 407232439 /nfs/dbraw/zinc/23/24/39/407232439.db2.gz UGXDLHAXMFEFOV-IJLUTSLNSA-N 1 2 306.391 1.982 40 0 DDABLO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3nccs3)C2)n1 ZINC000096064920 407232442 /nfs/dbraw/zinc/23/24/42/407232442.db2.gz UGXDLHAXMFEFOV-IJLUTSLNSA-N 1 2 306.391 1.982 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@@H]3O[C@H](C(=O)NC(C)C)C[C@@H]32)cs1 ZINC000096064739 407232661 /nfs/dbraw/zinc/23/26/61/407232661.db2.gz QAEYTMUCTIREIW-IHRRRGAJSA-N 1 2 309.435 1.708 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@@H]3O[C@H](C(=O)NC(C)C)C[C@@H]32)cs1 ZINC000096064739 407232662 /nfs/dbraw/zinc/23/26/62/407232662.db2.gz QAEYTMUCTIREIW-IHRRRGAJSA-N 1 2 309.435 1.708 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)cs1 ZINC000096066206 407234325 /nfs/dbraw/zinc/23/43/25/407234325.db2.gz ZSIIQTQAZKQHTB-TUKIKUTGSA-N 1 2 321.446 1.710 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)cs1 ZINC000096066206 407234327 /nfs/dbraw/zinc/23/43/27/407234327.db2.gz ZSIIQTQAZKQHTB-TUKIKUTGSA-N 1 2 321.446 1.710 40 0 DDABLO O=C(NC1CC1)N1CCO[C@@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096074777 407234675 /nfs/dbraw/zinc/23/46/75/407234675.db2.gz FKVLMRPRWYJTIU-QGZVFWFLSA-N 1 2 316.405 1.625 40 0 DDABLO CC(C)[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185159 407244509 /nfs/dbraw/zinc/24/45/09/407244509.db2.gz FSPUOAAMQKJYGQ-RDJZCZTQSA-N 1 2 320.437 1.427 40 0 DDABLO CC(C)[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185159 407244510 /nfs/dbraw/zinc/24/45/10/407244510.db2.gz FSPUOAAMQKJYGQ-RDJZCZTQSA-N 1 2 320.437 1.427 40 0 DDABLO CC(C)[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185159 407244512 /nfs/dbraw/zinc/24/45/12/407244512.db2.gz FSPUOAAMQKJYGQ-RDJZCZTQSA-N 1 2 320.437 1.427 40 0 DDABLO CC(C)[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185159 407244515 /nfs/dbraw/zinc/24/45/15/407244515.db2.gz FSPUOAAMQKJYGQ-RDJZCZTQSA-N 1 2 320.437 1.427 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@H+](C)C[C@@H]3C2)cc1 ZINC000096184902 407245017 /nfs/dbraw/zinc/24/50/17/407245017.db2.gz GJBBABZNKMXDKN-IAGOWNOFSA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000096184902 407245019 /nfs/dbraw/zinc/24/50/19/407245019.db2.gz GJBBABZNKMXDKN-IAGOWNOFSA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)cc1 ZINC000096184902 407245022 /nfs/dbraw/zinc/24/50/22/407245022.db2.gz GJBBABZNKMXDKN-IAGOWNOFSA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)cc1 ZINC000096184902 407245024 /nfs/dbraw/zinc/24/50/24/407245024.db2.gz GJBBABZNKMXDKN-IAGOWNOFSA-N 1 2 317.433 1.127 40 0 DDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188598 407245931 /nfs/dbraw/zinc/24/59/31/407245931.db2.gz SMFLJRNLBMEHOK-GFCCVEGCSA-N 1 2 300.366 1.084 40 0 DDABLO COCCC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096207018 407249680 /nfs/dbraw/zinc/24/96/80/407249680.db2.gz OCPXFZSBXHFVKG-CQSZACIVSA-N 1 2 307.394 1.305 40 0 DDABLO COc1ccc([C@H]2CN(C(=O)c3cnco3)CC[N@@H+]2C)cc1 ZINC000257219413 407500459 /nfs/dbraw/zinc/50/04/59/407500459.db2.gz DGRGTJBVMBTHGC-CQSZACIVSA-N 1 2 301.346 1.812 40 0 DDABLO COc1ccc([C@H]2CN(C(=O)c3cnco3)CC[N@H+]2C)cc1 ZINC000257219413 407500462 /nfs/dbraw/zinc/50/04/62/407500462.db2.gz DGRGTJBVMBTHGC-CQSZACIVSA-N 1 2 301.346 1.812 40 0 DDABLO COc1ccc([C@@H]2CN(CC(=O)N3CCCC3)CC[N@@H+]2C)cc1 ZINC000257230664 407508146 /nfs/dbraw/zinc/50/81/46/407508146.db2.gz GDIHYNXZTDMOAG-KRWDZBQOSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccc([C@@H]2CN(CC(=O)N3CCCC3)CC[N@H+]2C)cc1 ZINC000257230664 407508153 /nfs/dbraw/zinc/50/81/53/407508153.db2.gz GDIHYNXZTDMOAG-KRWDZBQOSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccc([C@@H]2C[N@H+](CC(=O)N3CCCC3)CCN2C)cc1 ZINC000257230664 407508160 /nfs/dbraw/zinc/50/81/60/407508160.db2.gz GDIHYNXZTDMOAG-KRWDZBQOSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCCC3)CCN2C)cc1 ZINC000257230664 407508166 /nfs/dbraw/zinc/50/81/66/407508166.db2.gz GDIHYNXZTDMOAG-KRWDZBQOSA-N 1 2 317.433 1.606 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)cc[nH+]1 ZINC000257263493 407526805 /nfs/dbraw/zinc/52/68/05/407526805.db2.gz LQDXFNJNQLNDTP-ZDUSSCGKSA-N 1 2 313.361 1.208 40 0 DDABLO CNc1nc(NCC[NH+]2CCOCC2)cc(C(F)(F)F)n1 ZINC000161803806 408639058 /nfs/dbraw/zinc/63/90/58/408639058.db2.gz CIMPGPOUPZOHEV-UHFFFAOYSA-N 1 2 305.304 1.281 40 0 DDABLO c1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)nc1 ZINC000328980876 410033683 /nfs/dbraw/zinc/03/36/83/410033683.db2.gz GQVZTVAODGRBSW-UHFFFAOYSA-N 1 2 318.384 1.964 40 0 DDABLO CN1CC[C@@]2(C[N@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093424 483922102 /nfs/dbraw/zinc/92/21/02/483922102.db2.gz VSFDBKIRAWRQFY-MRXNPFEDSA-N 1 2 324.371 1.868 40 0 DDABLO CN1CC[C@@]2(C[N@@H+](Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O ZINC000585093424 483922107 /nfs/dbraw/zinc/92/21/07/483922107.db2.gz VSFDBKIRAWRQFY-MRXNPFEDSA-N 1 2 324.371 1.868 40 0 DDABLO CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000306134056 529831270 /nfs/dbraw/zinc/83/12/70/529831270.db2.gz NCSMKMTWJXWQHQ-MCIONIFRSA-N 1 2 320.462 1.174 40 0 DDABLO CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000306134056 529831272 /nfs/dbraw/zinc/83/12/72/529831272.db2.gz NCSMKMTWJXWQHQ-MCIONIFRSA-N 1 2 320.462 1.174 40 0 DDABLO C[C@@]1(C(=O)N2CCOCC2)C[N@H+](Cc2ccsc2)CCO1 ZINC000072379732 191142784 /nfs/dbraw/zinc/14/27/84/191142784.db2.gz WYCWLJKHHZLLGQ-HNNXBMFYSA-N 1 2 310.419 1.198 40 0 DDABLO C[C@@]1(C(=O)N2CCOCC2)C[N@@H+](Cc2ccsc2)CCO1 ZINC000072379732 191142785 /nfs/dbraw/zinc/14/27/85/191142785.db2.gz WYCWLJKHHZLLGQ-HNNXBMFYSA-N 1 2 310.419 1.198 40 0 DDABLO CCOC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cncc(C)n1 ZINC000585098123 354806171 /nfs/dbraw/zinc/80/61/71/354806171.db2.gz UKCOBMRTGYUAGL-INIZCTEOSA-N 1 2 301.394 1.793 40 0 DDABLO CCOC[C@@H]1CCn2nccc2C[N@H+]1Cc1cncc(C)n1 ZINC000585098123 354806176 /nfs/dbraw/zinc/80/61/76/354806176.db2.gz UKCOBMRTGYUAGL-INIZCTEOSA-N 1 2 301.394 1.793 40 0 DDABLO Cc1cc(N2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)nc[nH+]1 ZINC000585182021 354817727 /nfs/dbraw/zinc/81/77/27/354817727.db2.gz DTGREDUUOIFCOK-NSHDSACASA-N 1 2 321.406 1.643 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@](CO)(Cc2ccc(C)cc2)C1 ZINC000585278131 354821915 /nfs/dbraw/zinc/82/19/15/354821915.db2.gz ZVYDSBVDVDDYQI-GOSISDBHSA-N 1 2 315.417 1.833 40 0 DDABLO Cc1cc(CC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc[nH+]1 ZINC000257266726 202997297 /nfs/dbraw/zinc/99/72/97/202997297.db2.gz MEEZGSKVQUKYBW-UHFFFAOYSA-N 1 2 312.373 1.568 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257272621 203001744 /nfs/dbraw/zinc/00/17/44/203001744.db2.gz NDCUMHDZECPUJX-HNNXBMFYSA-N 1 2 301.394 1.753 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257272621 203001746 /nfs/dbraw/zinc/00/17/46/203001746.db2.gz NDCUMHDZECPUJX-HNNXBMFYSA-N 1 2 301.394 1.753 40 0 DDABLO Cc1noc(C)c1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257296787 203020570 /nfs/dbraw/zinc/02/05/70/203020570.db2.gz REKJGICJZDLSLE-STQMWFEESA-N 1 2 304.350 1.326 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257280082 203008407 /nfs/dbraw/zinc/00/84/07/203008407.db2.gz OJJAIERFLIRCKT-OAHLLOKOSA-N 1 2 301.394 1.753 40 0 DDABLO Cc1cc(N2CCC(C)(c3ncc(C(N)=O)s3)CC2)nc[nH+]1 ZINC000257283474 203010452 /nfs/dbraw/zinc/01/04/52/203010452.db2.gz OYMODDNYRPRHTD-UHFFFAOYSA-N 1 2 317.418 1.899 40 0 DDABLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cn1 ZINC000257317148 203040984 /nfs/dbraw/zinc/04/09/84/203040984.db2.gz VIOKCWPZLJZHKP-ZDUSSCGKSA-N 1 2 300.410 1.720 40 0 DDABLO CN(C)c1ncc(C[N@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cn1 ZINC000257317148 203040986 /nfs/dbraw/zinc/04/09/86/203040986.db2.gz VIOKCWPZLJZHKP-ZDUSSCGKSA-N 1 2 300.410 1.720 40 0 DDABLO COCCN1CCN(C(=O)c2cc(C)on2)Cc2ccc[nH+]c21 ZINC000096198861 193575614 /nfs/dbraw/zinc/57/56/14/193575614.db2.gz ZCZWKXJJCMSJTA-UHFFFAOYSA-N 1 2 316.361 1.487 40 0 DDABLO Cc1nn(-c2ccc(F)cc2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000059843294 184141576 /nfs/dbraw/zinc/14/15/76/184141576.db2.gz FEXHUBTXHHTGRS-UHFFFAOYSA-N 1 2 303.341 1.102 40 0 DDABLO CCOC[C@H]1CN(C(=O)N(C)C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060343 286181209 /nfs/dbraw/zinc/18/12/09/286181209.db2.gz WTAFMHSUBLTWPG-CYBMUJFWSA-N 1 2 306.410 1.910 40 0 DDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)c1cccs1 ZINC000015676575 406881099 /nfs/dbraw/zinc/88/10/99/406881099.db2.gz ZGVOUAYLMMCBIL-JTQLQIEISA-N 1 2 305.359 1.222 40 0 biogenic,in-vitro DDABLO C[C@H](O)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022858735 406890720 /nfs/dbraw/zinc/89/07/20/406890720.db2.gz DZJBWPMAQOFXPB-CGTJXYLNSA-N 1 2 320.433 1.142 40 0 DDABLO COC(=O)c1ccc(Cn2c(C=O)ccc2Cn2cc[nH+]c2)o1 ZINC000078404646 407028056 /nfs/dbraw/zinc/02/80/56/407028056.db2.gz ZHRMZUXXJNIXOO-UHFFFAOYSA-N 1 2 313.313 1.973 40 0 DDABLO c1ccn(Cc2nnn3c2C[N@H+](Cc2ccccn2)CCC3)c1 ZINC000096259511 407256688 /nfs/dbraw/zinc/25/66/88/407256688.db2.gz BMWZGQNDRWUDPK-UHFFFAOYSA-N 1 2 308.389 1.929 40 0 DDABLO c1ccn(Cc2nnn3c2C[N@@H+](Cc2ccccn2)CCC3)c1 ZINC000096259511 407256690 /nfs/dbraw/zinc/25/66/90/407256690.db2.gz BMWZGQNDRWUDPK-UHFFFAOYSA-N 1 2 308.389 1.929 40 0 DDABLO O=C(c1ccccn1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196959 407247407 /nfs/dbraw/zinc/24/74/07/407247407.db2.gz FOUSDXLDVSCETC-UHFFFAOYSA-N 1 2 322.372 1.221 40 0 DDABLO C[N@@H+]1CCN(S(=O)(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000257223653 407503833 /nfs/dbraw/zinc/50/38/33/407503833.db2.gz DYIKANVLZGWJPP-OAHLLOKOSA-N 1 2 309.435 1.316 40 0 DDABLO C[N@H+]1CCN(S(=O)(=O)N2CCCC2)C[C@@H]1c1ccccc1 ZINC000257223653 407503834 /nfs/dbraw/zinc/50/38/34/407503834.db2.gz DYIKANVLZGWJPP-OAHLLOKOSA-N 1 2 309.435 1.316 40 0 DDABLO CC(C)NC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000225497373 407590308 /nfs/dbraw/zinc/59/03/08/407590308.db2.gz PQXGAPJWLPCMSR-UHFFFAOYSA-N 1 2 306.410 1.151 40 0 DDABLO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000072385014 277262446 /nfs/dbraw/zinc/26/24/46/277262446.db2.gz NPTOTDJPFYFFBY-SNVBAGLBSA-N 1 2 317.414 1.536 40 0 DDABLO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000072385014 277262448 /nfs/dbraw/zinc/26/24/48/277262448.db2.gz NPTOTDJPFYFFBY-SNVBAGLBSA-N 1 2 317.414 1.536 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072361804 191131744 /nfs/dbraw/zinc/13/17/44/191131744.db2.gz ZCAKXNUOWUNPSU-CYBMUJFWSA-N 1 2 312.373 1.934 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000072361804 191131746 /nfs/dbraw/zinc/13/17/46/191131746.db2.gz ZCAKXNUOWUNPSU-CYBMUJFWSA-N 1 2 312.373 1.934 40 0 DDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cccnc1OC ZINC000585094889 354803098 /nfs/dbraw/zinc/80/30/98/354803098.db2.gz SISYMSNCQYIMAP-AWEZNQCLSA-N 1 2 316.405 1.787 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cccnc1OC ZINC000585094964 354804279 /nfs/dbraw/zinc/80/42/79/354804279.db2.gz XFTBEEGIEVNYBM-ZDUSSCGKSA-N 1 2 302.378 1.397 40 0 DDABLO CCCn1ccnc1C[N@@H+]1CCC[C@@](O)(CCC(=O)N(C)C)C1 ZINC000585277991 354821244 /nfs/dbraw/zinc/82/12/44/354821244.db2.gz OKJXZHWIBKAINQ-QGZVFWFLSA-N 1 2 322.453 1.488 40 0 DDABLO CCCn1ccnc1C[N@H+]1CCC[C@@](O)(CCC(=O)N(C)C)C1 ZINC000585277991 354821247 /nfs/dbraw/zinc/82/12/47/354821247.db2.gz OKJXZHWIBKAINQ-QGZVFWFLSA-N 1 2 322.453 1.488 40 0 DDABLO Cc1ccc(C[C@]2(CO)C[N@H+](Cc3cncnc3)CCO2)cc1 ZINC000585277946 354821800 /nfs/dbraw/zinc/82/18/00/354821800.db2.gz ZDTSQESVRBVFSL-GOSISDBHSA-N 1 2 313.401 1.591 40 0 DDABLO Cc1ccc(C[C@]2(CO)C[N@@H+](Cc3cncnc3)CCO2)cc1 ZINC000585277946 354821804 /nfs/dbraw/zinc/82/18/04/354821804.db2.gz ZDTSQESVRBVFSL-GOSISDBHSA-N 1 2 313.401 1.591 40 0 DDABLO C[NH+]1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585288927 354825218 /nfs/dbraw/zinc/82/52/18/354825218.db2.gz BSVUBFHWGOVQCA-GVDBMIGSSA-N 1 2 308.397 1.734 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1ccccc1 ZINC000257299841 203023063 /nfs/dbraw/zinc/02/30/63/203023063.db2.gz RRUPRGSUFYAQCB-QZTJIDSGSA-N 1 2 323.396 1.693 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1ccccc1 ZINC000257299841 203023066 /nfs/dbraw/zinc/02/30/66/203023066.db2.gz RRUPRGSUFYAQCB-QZTJIDSGSA-N 1 2 323.396 1.693 40 0 DDABLO CCn1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)cn1 ZINC000257304056 203027903 /nfs/dbraw/zinc/02/79/03/203027903.db2.gz SJXCJOUJJUUZFX-ZDUSSCGKSA-N 1 2 301.394 1.965 40 0 DDABLO C[C@@]1(O)CC[N@H+](Cc2cc[nH]n2)C[C@H]1Oc1cccc(F)c1 ZINC000257288609 203016072 /nfs/dbraw/zinc/01/60/72/203016072.db2.gz PUXNEOYBDZOSFG-HZPDHXFCSA-N 1 2 305.353 1.953 40 0 DDABLO C[C@@]1(O)CC[N@@H+](Cc2cc[nH]n2)C[C@H]1Oc1cccc(F)c1 ZINC000257288609 203016075 /nfs/dbraw/zinc/01/60/75/203016075.db2.gz PUXNEOYBDZOSFG-HZPDHXFCSA-N 1 2 305.353 1.953 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)[nH+]1 ZINC000257320624 203045963 /nfs/dbraw/zinc/04/59/63/203045963.db2.gz VXPFFZJCMFEPSZ-HNNXBMFYSA-N 1 2 324.388 1.837 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000257344668 203066354 /nfs/dbraw/zinc/06/63/54/203066354.db2.gz ZYFIRFPBQYOJFJ-CQSZACIVSA-N 1 2 303.337 2.000 40 0 DDABLO COCCc1ncc(C[NH+]2CCN(c3nccs3)CC2)cn1 ZINC000019659153 182135339 /nfs/dbraw/zinc/13/53/39/182135339.db2.gz STYTVZMPFGRPPF-UHFFFAOYSA-N 1 2 319.434 1.444 40 0 DDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCC1)CC2 ZINC000019706406 182137173 /nfs/dbraw/zinc/13/71/73/182137173.db2.gz XZTQPBYKDIWUBI-AWEZNQCLSA-N 1 2 317.437 1.620 40 0 DDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCC1)CC2 ZINC000019706406 182137176 /nfs/dbraw/zinc/13/71/76/182137176.db2.gz XZTQPBYKDIWUBI-AWEZNQCLSA-N 1 2 317.437 1.620 40 0 DDABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188556 296276533 /nfs/dbraw/zinc/27/65/33/296276533.db2.gz HNHQLNBTHWIHRP-CYBMUJFWSA-N 1 2 311.345 1.645 40 0 DDABLO COCCN1CCN(C(=O)c2cccn2C)Cc2ccc[nH+]c21 ZINC000096198858 285048159 /nfs/dbraw/zinc/04/81/59/285048159.db2.gz URNDKMKTNJDVIF-UHFFFAOYSA-N 1 2 314.389 1.529 40 0 DDABLO Cc1nc2ccc(C)cn2c1C(=O)NCC[NH+]1CCOCC1 ZINC000071476695 406840326 /nfs/dbraw/zinc/84/03/26/406840326.db2.gz MHLPHSYELOAHNF-UHFFFAOYSA-N 1 2 302.378 1.013 40 0 DDABLO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000034121841 406964027 /nfs/dbraw/zinc/96/40/27/406964027.db2.gz NXJMPLSHDSOLII-XEZPLFJOSA-N 1 2 307.390 1.738 40 0 DDABLO Cc1cccc(CSCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000048090288 407089364 /nfs/dbraw/zinc/08/93/64/407089364.db2.gz UTVVHMZRCWXWQA-UHFFFAOYSA-N 1 2 308.447 1.677 40 0 DDABLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048374417 407096879 /nfs/dbraw/zinc/09/68/79/407096879.db2.gz APEINNYJGPSPHV-SRVKXCTJSA-N 1 2 306.362 1.852 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@H](COc1ccccn1)C2 ZINC000096207366 407250119 /nfs/dbraw/zinc/25/01/19/407250119.db2.gz FLRWEHHALNJPFR-AWEZNQCLSA-N 1 2 322.372 1.784 40 0 DDABLO COc1ccccc1[C@H]1CN(Cc2c[nH+]c[nH]2)CCN1C(C)=O ZINC000257204456 407494083 /nfs/dbraw/zinc/49/40/83/407494083.db2.gz AURUARNOPJFRHL-MRXNPFEDSA-N 1 2 314.389 1.824 40 0 DDABLO COc1ccccc1[C@H]1CN(Cc2c[nH]c[nH+]2)CCN1C(C)=O ZINC000257204456 407494087 /nfs/dbraw/zinc/49/40/87/407494087.db2.gz AURUARNOPJFRHL-MRXNPFEDSA-N 1 2 314.389 1.824 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257233847 407509984 /nfs/dbraw/zinc/50/99/84/407509984.db2.gz GQZKPSXLUBJNFN-HNNXBMFYSA-N 1 2 312.377 1.553 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)COc2ccccc2F)[nH+]1 ZINC000257230613 407507019 /nfs/dbraw/zinc/50/70/19/407507019.db2.gz GDBPXHMLXAYSPK-ZDUSSCGKSA-N 1 2 319.336 1.836 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000257232826 407510287 /nfs/dbraw/zinc/51/02/87/407510287.db2.gz GMORKBQZEJJLFY-CQSZACIVSA-N 1 2 314.393 1.183 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257291039 407532761 /nfs/dbraw/zinc/53/27/61/407532761.db2.gz QFIIYKCPOJFDON-AWEZNQCLSA-N 1 2 303.366 1.047 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257291039 407532765 /nfs/dbraw/zinc/53/27/65/407532765.db2.gz QFIIYKCPOJFDON-AWEZNQCLSA-N 1 2 303.366 1.047 40 0 DDABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329046620 410068616 /nfs/dbraw/zinc/06/86/16/410068616.db2.gz UCLCTCKWULCFDA-LLVKDONJSA-N 1 2 314.389 1.743 40 0 DDABLO COCCn1cnnc1C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000072364102 191132996 /nfs/dbraw/zinc/13/29/96/191132996.db2.gz JYEGHMOKJFEYMA-UHFFFAOYSA-N 1 2 302.382 1.407 40 0 DDABLO C[C@]1(C(=O)N2CCOCC2)C[N@H+](Cc2ccccc2F)CCO1 ZINC000072379398 191141836 /nfs/dbraw/zinc/14/18/36/191141836.db2.gz SHPWYOUSTUKXRZ-QGZVFWFLSA-N 1 2 322.380 1.275 40 0 DDABLO C[C@]1(C(=O)N2CCOCC2)C[N@@H+](Cc2ccccc2F)CCO1 ZINC000072379398 191141837 /nfs/dbraw/zinc/14/18/37/191141837.db2.gz SHPWYOUSTUKXRZ-QGZVFWFLSA-N 1 2 322.380 1.275 40 0 DDABLO Cn1ncc2c1nc(NCCc1ccccc1)[nH+]c2NCCO ZINC000004374981 181104055 /nfs/dbraw/zinc/10/40/55/181104055.db2.gz SAMFYXQFMLQOJK-UHFFFAOYSA-N 1 2 312.377 1.422 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccccc1C ZINC000585094753 354802827 /nfs/dbraw/zinc/80/28/27/354802827.db2.gz KQSHNAPPYAAQNR-HNNXBMFYSA-N 1 2 313.401 1.871 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)oc1C ZINC000585094875 354803714 /nfs/dbraw/zinc/80/37/14/354803714.db2.gz RMHYFUNLNMQSNR-GFCCVEGCSA-N 1 2 303.362 1.843 40 0 DDABLO O=C([C@@H]1CCOC1)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111057 354809376 /nfs/dbraw/zinc/80/93/76/354809376.db2.gz BUVAUNUAZPRYFR-OAHLLOKOSA-N 1 2 311.385 1.971 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccccc2F)[nH+]1 ZINC000257274673 203003958 /nfs/dbraw/zinc/00/39/58/203003958.db2.gz NMBMRBPQPAKTCC-AWEZNQCLSA-N 1 2 303.337 2.000 40 0 DDABLO COc1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257300691 203026489 /nfs/dbraw/zinc/02/64/89/203026489.db2.gz RVIBLLVRLHCKLP-ZDUSSCGKSA-N 1 2 300.366 1.585 40 0 DDABLO COc1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257300691 203026493 /nfs/dbraw/zinc/02/64/93/203026493.db2.gz RVIBLLVRLHCKLP-ZDUSSCGKSA-N 1 2 300.366 1.585 40 0 DDABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cnc(OC)nc2)n1 ZINC000257292616 203017527 /nfs/dbraw/zinc/01/75/27/203017527.db2.gz QMHKAQIAMYIMNJ-CYBMUJFWSA-N 1 2 300.366 1.654 40 0 DDABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2cnc(OC)nc2)n1 ZINC000257292616 203017530 /nfs/dbraw/zinc/01/75/30/203017530.db2.gz QMHKAQIAMYIMNJ-CYBMUJFWSA-N 1 2 300.366 1.654 40 0 DDABLO CCCc1cc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)no1 ZINC000257297389 203020300 /nfs/dbraw/zinc/02/03/00/203020300.db2.gz RHAPTBAWKUIMAZ-BPLDGKMQSA-N 1 2 318.377 1.708 40 0 DDABLO O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257318697 203042678 /nfs/dbraw/zinc/04/26/78/203042678.db2.gz VPADHHUCACXWSV-IIAWOOMASA-N 1 2 300.362 1.092 40 0 DDABLO Cc1cncc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1 ZINC000257338605 203060607 /nfs/dbraw/zinc/06/06/07/203060607.db2.gz YYDWEUQYTRKGBY-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cncc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1 ZINC000257338605 203060612 /nfs/dbraw/zinc/06/06/12/203060612.db2.gz YYDWEUQYTRKGBY-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO OCC[N@@H+]1CCO[C@H](COc2ccccc2Br)C1 ZINC000217496328 257132149 /nfs/dbraw/zinc/13/21/49/257132149.db2.gz GRWMIPHQVNRYJN-NSHDSACASA-N 1 2 316.195 1.521 40 0 DDABLO OCC[N@H+]1CCO[C@H](COc2ccccc2Br)C1 ZINC000217496328 257132151 /nfs/dbraw/zinc/13/21/51/257132151.db2.gz GRWMIPHQVNRYJN-NSHDSACASA-N 1 2 316.195 1.521 40 0 DDABLO C[NH+]1CCN(C(=O)Nc2c[nH]c3cc(Cl)ccc3c2=O)CC1 ZINC000013565952 406862476 /nfs/dbraw/zinc/86/24/76/406862476.db2.gz GDCFCOCGTXQDGH-UHFFFAOYSA-N 1 2 320.780 1.961 40 0 DDABLO Cc1nn(C)c(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025594238 406899398 /nfs/dbraw/zinc/89/93/98/406899398.db2.gz HWWGYUQARJJKNK-UHFFFAOYSA-N 1 2 312.417 1.995 40 0 DDABLO CS(=O)(=O)N1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1 ZINC000096058355 407230769 /nfs/dbraw/zinc/23/07/69/407230769.db2.gz YTMOYHYKLCYQNL-JYJNAYRXSA-N 1 2 322.430 1.049 40 0 DDABLO C[C@H]1C[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096469901 407270029 /nfs/dbraw/zinc/27/00/29/407270029.db2.gz MISBPLBNETWOBD-QMCVQRASSA-N 1 2 315.417 1.690 40 0 DDABLO C[C@H]1C[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000096469901 407270031 /nfs/dbraw/zinc/27/00/31/407270031.db2.gz MISBPLBNETWOBD-QMCVQRASSA-N 1 2 315.417 1.690 40 0 DDABLO CCn1nc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)cc1C ZINC000257236409 407510420 /nfs/dbraw/zinc/51/04/20/407510420.db2.gz HCAFFSXVTOMQPJ-ZDUSSCGKSA-N 1 2 303.366 1.457 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000257333517 407534388 /nfs/dbraw/zinc/53/43/88/407534388.db2.gz YBWUVFCFYWKURB-HNNXBMFYSA-N 1 2 313.405 1.909 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000257333517 407534392 /nfs/dbraw/zinc/53/43/92/407534392.db2.gz YBWUVFCFYWKURB-HNNXBMFYSA-N 1 2 313.405 1.909 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(NCCO)[nH+]cn1)C2 ZINC000328964557 410023592 /nfs/dbraw/zinc/02/35/92/410023592.db2.gz BVNJGYXNROHFJA-UHFFFAOYSA-N 1 2 300.362 1.452 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(NCCO)nc[nH+]1)C2 ZINC000328964557 410023598 /nfs/dbraw/zinc/02/35/98/410023598.db2.gz BVNJGYXNROHFJA-UHFFFAOYSA-N 1 2 300.362 1.452 40 0 DDABLO CC(C)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000329025663 410058272 /nfs/dbraw/zinc/05/82/72/410058272.db2.gz PHLNCSJORUSPEN-CQSZACIVSA-N 1 2 313.405 1.794 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072382365 191143019 /nfs/dbraw/zinc/14/30/19/191143019.db2.gz FZMUJSGXBJXZAW-LBPRGKRZSA-N 1 2 300.366 1.448 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072382365 191143020 /nfs/dbraw/zinc/14/30/20/191143020.db2.gz FZMUJSGXBJXZAW-LBPRGKRZSA-N 1 2 300.366 1.448 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ccnn21 ZINC000585112774 354810512 /nfs/dbraw/zinc/81/05/12/354810512.db2.gz VGZVISRZOJCBLT-HNNXBMFYSA-N 1 2 314.389 1.585 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ccnn21 ZINC000585112774 354810514 /nfs/dbraw/zinc/81/05/14/354810514.db2.gz VGZVISRZOJCBLT-HNNXBMFYSA-N 1 2 314.389 1.585 40 0 DDABLO Cc1nc(N2CCOC[C@](O)(COc3ccccc3)C2)cc[nH+]1 ZINC000585277374 354821289 /nfs/dbraw/zinc/82/12/89/354821289.db2.gz VSGZQNFKRBGEFI-KRWDZBQOSA-N 1 2 315.373 1.432 40 0 DDABLO C[NH+](C)Cc1cnc([C@@H]2CN(CCC(F)(F)F)CCO2)[nH]1 ZINC000257303078 203028589 /nfs/dbraw/zinc/02/85/89/203028589.db2.gz SFRFULVWDVZTIA-NSHDSACASA-N 1 2 306.332 1.797 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccccc1 ZINC000257302356 203028690 /nfs/dbraw/zinc/02/86/90/203028690.db2.gz SCPBUALRFUYELQ-QZTJIDSGSA-N 1 2 323.396 1.693 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1ccccc1 ZINC000257302356 203028694 /nfs/dbraw/zinc/02/86/94/203028694.db2.gz SCPBUALRFUYELQ-QZTJIDSGSA-N 1 2 323.396 1.693 40 0 DDABLO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cn1 ZINC000257281710 203010986 /nfs/dbraw/zinc/01/09/86/203010986.db2.gz OQPHGLXJNVYSKK-RBSFLKMASA-N 1 2 300.362 1.471 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O)c1ccccn1 ZINC000257332678 203055245 /nfs/dbraw/zinc/05/52/45/203055245.db2.gz XYFWCHOGRNYYIN-HZPDHXFCSA-N 1 2 315.348 1.196 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O)c1ccccn1 ZINC000257332678 203055249 /nfs/dbraw/zinc/05/52/49/203055249.db2.gz XYFWCHOGRNYYIN-HZPDHXFCSA-N 1 2 315.348 1.196 40 0 DDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NC(C)C)[C@@H](C2)O3)cc1 ZINC000096252861 407257482 /nfs/dbraw/zinc/25/74/82/407257482.db2.gz SAVOBLVQMIWGNX-IXDOHACOSA-N 1 2 318.417 1.809 40 0 DDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NC(C)C)[C@@H](C2)O3)cc1 ZINC000096252861 407257484 /nfs/dbraw/zinc/25/74/84/407257484.db2.gz SAVOBLVQMIWGNX-IXDOHACOSA-N 1 2 318.417 1.809 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1 ZINC000096041556 407225059 /nfs/dbraw/zinc/22/50/59/407225059.db2.gz WDQPXMBMIWRNAE-SQWLQELKSA-N 1 2 308.378 1.116 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1 ZINC000096041556 407225060 /nfs/dbraw/zinc/22/50/60/407225060.db2.gz WDQPXMBMIWRNAE-SQWLQELKSA-N 1 2 308.378 1.116 40 0 DDABLO Cc1ccc(N2CCO[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)nn1 ZINC000096054402 407229134 /nfs/dbraw/zinc/22/91/34/407229134.db2.gz RBCMHHJBKIGFKE-OLZOCXBDSA-N 1 2 317.418 1.331 40 0 DDABLO Cc1ccc(N2CCO[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)nn1 ZINC000096054402 407229136 /nfs/dbraw/zinc/22/91/36/407229136.db2.gz RBCMHHJBKIGFKE-OLZOCXBDSA-N 1 2 317.418 1.331 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)cs1 ZINC000096065479 407232808 /nfs/dbraw/zinc/23/28/08/407232808.db2.gz ZSIIQTQAZKQHTB-CQDKDKBSSA-N 1 2 321.446 1.710 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)cs1 ZINC000096065479 407232809 /nfs/dbraw/zinc/23/28/09/407232809.db2.gz ZSIIQTQAZKQHTB-CQDKDKBSSA-N 1 2 321.446 1.710 40 0 DDABLO CN1[C@@H](C(=O)NCC2CC2)C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000096185737 407244659 /nfs/dbraw/zinc/24/46/59/407244659.db2.gz NCSMKMTWJXWQHQ-BFHYXJOUSA-N 1 2 320.462 1.174 40 0 DDABLO CN1[C@@H](C(=O)NCC2CC2)C[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000096185737 407244660 /nfs/dbraw/zinc/24/46/60/407244660.db2.gz NCSMKMTWJXWQHQ-BFHYXJOUSA-N 1 2 320.462 1.174 40 0 DDABLO NC(=O)N1Cc2[nH+]ccn2C[C@H](COCc2cccnc2)C1 ZINC000096188092 407245634 /nfs/dbraw/zinc/24/56/34/407245634.db2.gz BSBJKKWLFJPGCT-ZDUSSCGKSA-N 1 2 301.350 1.005 40 0 DDABLO c1cn2c(n1)C[N@H+](Cc1ccsc1)C[C@@H](Cn1cncn1)C2 ZINC000096188610 407245695 /nfs/dbraw/zinc/24/56/95/407245695.db2.gz KNYGBCPSWJRSBM-CQSZACIVSA-N 1 2 314.418 1.868 40 0 DDABLO c1cn2c(n1)C[N@@H+](Cc1ccsc1)C[C@@H](Cn1cncn1)C2 ZINC000096188610 407245697 /nfs/dbraw/zinc/24/56/97/407245697.db2.gz KNYGBCPSWJRSBM-CQSZACIVSA-N 1 2 314.418 1.868 40 0 DDABLO C[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3ccsc3)nc2C1 ZINC000096197659 407247977 /nfs/dbraw/zinc/24/79/77/407247977.db2.gz PIUGJXYLTSCPQB-UHFFFAOYSA-N 1 2 318.402 1.070 40 0 DDABLO C[N@H+]1CCCn2c(=O)cc(CNC(=O)c3ccsc3)nc2C1 ZINC000096197659 407247979 /nfs/dbraw/zinc/24/79/79/407247979.db2.gz PIUGJXYLTSCPQB-UHFFFAOYSA-N 1 2 318.402 1.070 40 0 DDABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccccn2)C1 ZINC000096206577 407249801 /nfs/dbraw/zinc/24/98/01/407249801.db2.gz XHGRCILBMUKAFF-AWEZNQCLSA-N 1 2 314.389 1.516 40 0 DDABLO Cn1c[nH+]cc1-c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257201481 407491485 /nfs/dbraw/zinc/49/14/85/407491485.db2.gz AHVZKIOFOOKRIW-GFCCVEGCSA-N 1 2 320.418 1.621 40 0 DDABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2nccnc2NC)C1 ZINC000257235588 407510532 /nfs/dbraw/zinc/51/05/32/407510532.db2.gz GYMJKGFTFRDRGM-ZDUSSCGKSA-N 1 2 316.409 1.698 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2ccnn2C)CC[N@@H+]1C ZINC000257338752 407531940 /nfs/dbraw/zinc/53/19/40/407531940.db2.gz YYVJMYYARZDIFF-OAHLLOKOSA-N 1 2 314.389 1.558 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2ccnn2C)CC[N@H+]1C ZINC000257338752 407531949 /nfs/dbraw/zinc/53/19/49/407531949.db2.gz YYVJMYYARZDIFF-OAHLLOKOSA-N 1 2 314.389 1.558 40 0 DDABLO OCCNc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000328997251 410043415 /nfs/dbraw/zinc/04/34/15/410043415.db2.gz JNDHNIMQHKQKBW-UHFFFAOYSA-N 1 2 324.306 1.763 40 0 DDABLO COc1ccccc1CC(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257227730 295358034 /nfs/dbraw/zinc/35/80/34/295358034.db2.gz FQQFYPJBQXEHEP-AWEZNQCLSA-N 1 2 315.373 1.869 40 0 DDABLO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000222961812 539265760 /nfs/dbraw/zinc/26/57/60/539265760.db2.gz FZFZABBXTJTHIS-MRXNPFEDSA-N 1 2 320.433 1.909 40 0 DDABLO CC(C)(C)c1ccccc1OCC(=O)NCC[NH+]1CCOCC1 ZINC000022690097 352179764 /nfs/dbraw/zinc/17/97/64/352179764.db2.gz RXDPCNOPJFUDTH-UHFFFAOYSA-N 1 2 320.433 1.811 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000257296753 203021757 /nfs/dbraw/zinc/02/17/57/203021757.db2.gz REGKPXCEKDJVFW-AWEZNQCLSA-N 1 2 307.394 1.196 40 0 DDABLO C[NH+]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000044253992 407020181 /nfs/dbraw/zinc/02/01/81/407020181.db2.gz TZXFMTIMTRIDMW-UHFFFAOYSA-N 1 2 304.781 1.913 40 0 DDABLO Cc1noc(C[C@H]2CO[C@@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]23)n1 ZINC000096219096 407251831 /nfs/dbraw/zinc/25/18/31/407251831.db2.gz RKVXRHSIKDZGFM-IACUBPJLSA-N 1 2 320.418 1.832 40 0 DDABLO Cc1noc(C[C@H]2CO[C@@H]3C[N@H+](Cc4csc(C)n4)C[C@H]23)n1 ZINC000096219096 407251832 /nfs/dbraw/zinc/25/18/32/407251832.db2.gz RKVXRHSIKDZGFM-IACUBPJLSA-N 1 2 320.418 1.832 40 0 DDABLO Cc1nc(C[NH+]2CCC3(CC2)C(=O)N(C)CCN3C)cs1 ZINC000096230019 407253904 /nfs/dbraw/zinc/25/39/04/407253904.db2.gz GYLXSGXUVNJCAM-UHFFFAOYSA-N 1 2 308.451 1.190 40 0 DDABLO CN(C)C(=O)C[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC000096259967 407258331 /nfs/dbraw/zinc/25/83/31/407258331.db2.gz YXJFHOMHEZBJLV-UHFFFAOYSA-N 1 2 306.410 1.104 40 0 DDABLO CN(C)C(=O)C[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC000096259967 407258334 /nfs/dbraw/zinc/25/83/34/407258334.db2.gz YXJFHOMHEZBJLV-UHFFFAOYSA-N 1 2 306.410 1.104 40 0 DDABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)n[nH]1 ZINC000096046198 407226964 /nfs/dbraw/zinc/22/69/64/407226964.db2.gz UCBQKWTWXBYOCC-BFHYXJOUSA-N 1 2 302.382 1.199 40 0 DDABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)n[nH]1 ZINC000096046198 407226967 /nfs/dbraw/zinc/22/69/67/407226967.db2.gz UCBQKWTWXBYOCC-BFHYXJOUSA-N 1 2 302.382 1.199 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)CCN(C(=O)c2cscn2)C3)cn1 ZINC000096046434 407227592 /nfs/dbraw/zinc/22/75/92/407227592.db2.gz KSDQSKWEKKCHOM-UHFFFAOYSA-N 1 2 317.418 1.225 40 0 DDABLO O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096057460 407230393 /nfs/dbraw/zinc/23/03/93/407230393.db2.gz MHVCVRNJEMJBOU-MGPQQGTHSA-N 1 2 321.446 1.791 40 0 DDABLO O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096057460 407230394 /nfs/dbraw/zinc/23/03/94/407230394.db2.gz MHVCVRNJEMJBOU-MGPQQGTHSA-N 1 2 321.446 1.791 40 0 DDABLO COCCN1CCN(C(=O)c2cccnc2)Cc2ccc[nH+]c21 ZINC000096060934 407232266 /nfs/dbraw/zinc/23/22/66/407232266.db2.gz IGAXCVSIZNLYFS-UHFFFAOYSA-N 1 2 312.373 1.585 40 0 DDABLO Cc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257228761 407505985 /nfs/dbraw/zinc/50/59/85/407505985.db2.gz FVDGVDSYIZSADY-INIZCTEOSA-N 1 2 316.361 1.091 40 0 DDABLO CCc1noc(CCC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257244797 407514502 /nfs/dbraw/zinc/51/45/02/407514502.db2.gz IMVLQKRICNUGIC-NSHDSACASA-N 1 2 319.365 1.196 40 0 DDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000257254776 407521417 /nfs/dbraw/zinc/52/14/17/407521417.db2.gz KEQFAYSUCIIFEF-AWEZNQCLSA-N 1 2 319.405 1.928 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2[nH]cnc2C)n1 ZINC000257276574 278125047 /nfs/dbraw/zinc/12/50/47/278125047.db2.gz NUIQXALDDNTHET-INIZCTEOSA-N 1 2 314.393 1.481 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2[nH]cnc2C)n1 ZINC000257276574 278125049 /nfs/dbraw/zinc/12/50/49/278125049.db2.gz NUIQXALDDNTHET-INIZCTEOSA-N 1 2 314.393 1.481 40 0 DDABLO NC(=O)C[NH+]1CCC(c2csc(Nc3ncccn3)n2)CC1 ZINC000072367838 191137588 /nfs/dbraw/zinc/13/75/88/191137588.db2.gz RGKCFTFRXWKHCS-UHFFFAOYSA-N 1 2 318.406 1.341 40 0 DDABLO NC(=O)C[NH+]1CCC(c2csc(Nc3cnccn3)n2)CC1 ZINC000072367839 191137632 /nfs/dbraw/zinc/13/76/32/191137632.db2.gz SDNBHJMZWQLOQR-UHFFFAOYSA-N 1 2 318.406 1.341 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)oc1C ZINC000585094876 354803276 /nfs/dbraw/zinc/80/32/76/354803276.db2.gz RMHYFUNLNMQSNR-LBPRGKRZSA-N 1 2 303.362 1.843 40 0 DDABLO Cc1cccc(OC[C@@]2(O)COCCN(Cc3[nH]cc[nH+]3)C2)c1 ZINC000585275281 354819713 /nfs/dbraw/zinc/81/97/13/354819713.db2.gz BVUHODRINXCOCH-KRWDZBQOSA-N 1 2 317.389 1.360 40 0 DDABLO COc1ccc([C@@H]2CN(C(=O)c3nccn3C)CC[N@@H+]2C)cc1 ZINC000257276835 203006238 /nfs/dbraw/zinc/00/62/38/203006238.db2.gz NVIYSSAHKHISOO-HNNXBMFYSA-N 1 2 314.389 1.558 40 0 DDABLO c1cc2c(C[C@@H]3COCC[N@H+](Cc4c[nH]cn4)C3)nccn2c1 ZINC000257300231 203025737 /nfs/dbraw/zinc/02/57/37/203025737.db2.gz RTPALFAVXAQRAI-AWEZNQCLSA-N 1 2 311.389 1.749 40 0 DDABLO c1cc2c(C[C@@H]3COCC[N@@H+](Cc4c[nH]cn4)C3)nccn2c1 ZINC000257300231 203025740 /nfs/dbraw/zinc/02/57/40/203025740.db2.gz RTPALFAVXAQRAI-AWEZNQCLSA-N 1 2 311.389 1.749 40 0 DDABLO c1cc2c(C[C@@H]3COCC[N@H+](Cc4cnc[nH]4)C3)nccn2c1 ZINC000257300231 203025743 /nfs/dbraw/zinc/02/57/43/203025743.db2.gz RTPALFAVXAQRAI-AWEZNQCLSA-N 1 2 311.389 1.749 40 0 DDABLO c1cc2c(C[C@@H]3COCC[N@@H+](Cc4cnc[nH]4)C3)nccn2c1 ZINC000257300231 203025746 /nfs/dbraw/zinc/02/57/46/203025746.db2.gz RTPALFAVXAQRAI-AWEZNQCLSA-N 1 2 311.389 1.749 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257305927 203029333 /nfs/dbraw/zinc/02/93/33/203029333.db2.gz SSCWJUHFFFKJAD-HZPDHXFCSA-N 1 2 315.373 1.314 40 0 DDABLO COc1ccc([C@@H]2CN(C(=O)c3nccn3C)CC[N@H+]2C)cc1 ZINC000257276835 203006241 /nfs/dbraw/zinc/00/62/41/203006241.db2.gz NVIYSSAHKHISOO-HNNXBMFYSA-N 1 2 314.389 1.558 40 0 DDABLO C[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1Oc1ccccc1 ZINC000257281949 203010999 /nfs/dbraw/zinc/01/09/99/203010999.db2.gz ORQNZTBSMKXOKP-NVXWUHKLSA-N 1 2 315.373 1.314 40 0 DDABLO Cc1nc(N2CCO[C@H](c3nccnc3N(C)C)C2)cc[nH+]1 ZINC000257321798 203046253 /nfs/dbraw/zinc/04/62/53/203046253.db2.gz WDHBCWKTHDACCI-LBPRGKRZSA-N 1 2 300.366 1.219 40 0 DDABLO CCC(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257340188 203062897 /nfs/dbraw/zinc/06/28/97/203062897.db2.gz ZEZAWBXUQQAXGU-INIZCTEOSA-N 1 2 303.406 1.987 40 0 DDABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](Cc2ccncc2)C1 ZINC000015674510 182011982 /nfs/dbraw/zinc/01/19/82/182011982.db2.gz SATIZQPJZQMUNX-CABCVRRESA-N 1 2 323.356 1.835 40 0 biogenic,in-vitro DDABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](Cc2ccncc2)C1 ZINC000015674510 182011984 /nfs/dbraw/zinc/01/19/84/182011984.db2.gz SATIZQPJZQMUNX-CABCVRRESA-N 1 2 323.356 1.835 40 0 biogenic,in-vitro DDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1 ZINC000010339074 406822079 /nfs/dbraw/zinc/82/20/79/406822079.db2.gz RCVXOXZXYLFJON-VIFPVBQESA-N 1 2 312.333 1.014 40 0 DDABLO COCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1OC ZINC000012221711 406838736 /nfs/dbraw/zinc/83/87/36/406838736.db2.gz QYQRMBBWRXWZLS-CQSZACIVSA-N 1 2 319.361 1.289 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096219330 407251660 /nfs/dbraw/zinc/25/16/60/407251660.db2.gz OTZXIKGJZVAACH-BBRMVZONSA-N 1 2 314.393 1.056 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C[C@H](Nc3ncccn3)CO2)C1 ZINC000096219330 407251662 /nfs/dbraw/zinc/25/16/62/407251662.db2.gz OTZXIKGJZVAACH-BBRMVZONSA-N 1 2 314.393 1.056 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(C[NH+](CC(=O)[O-])CCO2)C1 ZINC000096226817 407253784 /nfs/dbraw/zinc/25/37/84/407253784.db2.gz TWZMVMNGXHHDKE-INIZCTEOSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(C[NH+](CC(=O)[O-])CCO2)C1 ZINC000096226817 407253785 /nfs/dbraw/zinc/25/37/85/407253785.db2.gz TWZMVMNGXHHDKE-INIZCTEOSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[NH+]1CCC[C@]2(C1)C[N@H+](CC(=O)[O-])CCO2 ZINC000096226817 407253786 /nfs/dbraw/zinc/25/37/86/407253786.db2.gz TWZMVMNGXHHDKE-INIZCTEOSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[NH+]1CCC[C@]2(C1)C[N@@H+](CC(=O)[O-])CCO2 ZINC000096226817 407253787 /nfs/dbraw/zinc/25/37/87/407253787.db2.gz TWZMVMNGXHHDKE-INIZCTEOSA-N 1 2 323.393 1.043 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096252990 407257613 /nfs/dbraw/zinc/25/76/13/407257613.db2.gz LCIXAKHWERLXMJ-IJEWVQPXSA-N 1 2 319.405 1.407 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096252990 407257615 /nfs/dbraw/zinc/25/76/15/407257615.db2.gz LCIXAKHWERLXMJ-IJEWVQPXSA-N 1 2 319.405 1.407 40 0 DDABLO CCn1nc(C)cc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COC)C1 ZINC000096044807 407226318 /nfs/dbraw/zinc/22/63/18/407226318.db2.gz JXDXOZXZLKYQCC-GFCCVEGCSA-N 1 2 317.393 1.331 40 0 DDABLO C[N@H+]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096064510 407233163 /nfs/dbraw/zinc/23/31/63/407233163.db2.gz MAEMKQDLWDBZFY-NUEKZKHPSA-N 1 2 303.406 1.310 40 0 DDABLO C[N@@H+]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096064510 407233164 /nfs/dbraw/zinc/23/31/64/407233164.db2.gz MAEMKQDLWDBZFY-NUEKZKHPSA-N 1 2 303.406 1.310 40 0 DDABLO CCOCC(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202280 407249862 /nfs/dbraw/zinc/24/98/62/407249862.db2.gz RZUQPWKECRJEOR-QGZVFWFLSA-N 1 2 319.405 1.173 40 0 DDABLO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@@H+]1CCOC[C@@H]1C ZINC000195530196 407465098 /nfs/dbraw/zinc/46/50/98/407465098.db2.gz KBCRAKQMYGMZRS-ILXRZTDVSA-N 1 2 320.437 1.893 40 0 DDABLO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@H+]1CCOC[C@@H]1C ZINC000195530196 407465106 /nfs/dbraw/zinc/46/51/06/407465106.db2.gz KBCRAKQMYGMZRS-ILXRZTDVSA-N 1 2 320.437 1.893 40 0 DDABLO Cn1nccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257227423 407507083 /nfs/dbraw/zinc/50/70/83/407507083.db2.gz FPETULHBGTZMCI-CQSZACIVSA-N 1 2 312.377 1.896 40 0 DDABLO Cn1nccc1C[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257227423 407507091 /nfs/dbraw/zinc/50/70/91/407507091.db2.gz FPETULHBGTZMCI-CQSZACIVSA-N 1 2 312.377 1.896 40 0 DDABLO O=C(Cc1ccsc1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257245634 407516434 /nfs/dbraw/zinc/51/64/34/407516434.db2.gz IQJWKCGPHMGKDU-UMVBOHGHSA-N 1 2 305.403 1.758 40 0 DDABLO CNc1nccnc1[C@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000257249793 407518710 /nfs/dbraw/zinc/51/87/10/407518710.db2.gz JJUICTMNBRCVTQ-OAHLLOKOSA-N 1 2 314.389 1.971 40 0 DDABLO CNc1nccnc1[C@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000257249793 407518714 /nfs/dbraw/zinc/51/87/14/407518714.db2.gz JJUICTMNBRCVTQ-OAHLLOKOSA-N 1 2 314.389 1.971 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257251776 407519372 /nfs/dbraw/zinc/51/93/72/407519372.db2.gz JSDVAGXMXAMBGD-GFCCVEGCSA-N 1 2 310.361 1.781 40 0 DDABLO Nc1nccnc1[C@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000257269518 407531245 /nfs/dbraw/zinc/53/12/45/407531245.db2.gz MQIGSDWLIFUHAA-CQSZACIVSA-N 1 2 300.362 1.511 40 0 DDABLO Nc1nccnc1[C@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000257269518 407531250 /nfs/dbraw/zinc/53/12/50/407531250.db2.gz MQIGSDWLIFUHAA-CQSZACIVSA-N 1 2 300.362 1.511 40 0 DDABLO Cn1c[nH+]c(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)c1 ZINC000257301648 407534867 /nfs/dbraw/zinc/53/48/67/407534867.db2.gz RZGNHNKGIZTQPM-HOTGVXAUSA-N 1 2 312.373 1.036 40 0 DDABLO COC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2c[nH+]cn21 ZINC000247910926 408516310 /nfs/dbraw/zinc/51/63/10/408516310.db2.gz YJUCTKHIRSLBMT-LBPRGKRZSA-N 1 2 302.334 1.592 40 0 DDABLO O=C(C[C@@H]1CCCC[C@H]1O)NCCc1cn2ccccc2[nH+]1 ZINC000280736224 409431845 /nfs/dbraw/zinc/43/18/45/409431845.db2.gz JBSHVDBIHWCJEE-DZGCQCFKSA-N 1 2 301.390 1.934 40 0 DDABLO Clc1cc(NCC[NH+]2CCOCC2)nc(-c2ccccn2)n1 ZINC000329029261 410059507 /nfs/dbraw/zinc/05/95/07/410059507.db2.gz PYKZJEDBJKKKFM-UHFFFAOYSA-N 1 2 319.796 1.936 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000072355718 191130957 /nfs/dbraw/zinc/13/09/57/191130957.db2.gz GBVJQEVSGMVYOT-INIZCTEOSA-N 1 2 314.364 1.829 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000072355718 191130958 /nfs/dbraw/zinc/13/09/58/191130958.db2.gz GBVJQEVSGMVYOT-INIZCTEOSA-N 1 2 314.364 1.829 40 0 DDABLO Cc1nnsc1CNc1cc([C@H]2COCC[NH2+]2)nc(C)n1 ZINC000072366237 191136112 /nfs/dbraw/zinc/13/61/12/191136112.db2.gz NQOKPIMLDIKURD-LLVKDONJSA-N 1 2 306.395 1.218 40 0 DDABLO Cc1cc(N2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)nc[nH+]1 ZINC000072367565 191137561 /nfs/dbraw/zinc/13/75/61/191137561.db2.gz DCZDYJWUJFIPIY-CYBMUJFWSA-N 1 2 312.377 1.714 40 0 DDABLO CCCc1ncc(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746952 352169819 /nfs/dbraw/zinc/16/98/19/352169819.db2.gz UTSBHJJNYJYWGO-MRXNPFEDSA-N 1 2 306.410 1.108 40 0 DDABLO CCCc1ncc(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cn1 ZINC000019746952 352169823 /nfs/dbraw/zinc/16/98/23/352169823.db2.gz UTSBHJJNYJYWGO-MRXNPFEDSA-N 1 2 306.410 1.108 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cocn1)[C@H]2C ZINC000585097699 354805695 /nfs/dbraw/zinc/80/56/95/354805695.db2.gz MUALSAPQNVYHOF-NSHDSACASA-N 1 2 304.350 1.667 40 0 DDABLO O=C(N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1)C1(F)CCC1 ZINC000585110698 354809120 /nfs/dbraw/zinc/80/91/20/354809120.db2.gz VTSIUCOTTRPMNN-GFCCVEGCSA-N 1 2 318.356 1.025 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)cn1 ZINC000248163795 202725705 /nfs/dbraw/zinc/72/57/05/202725705.db2.gz YXRZDZRBSYRULM-HNNXBMFYSA-N 1 2 318.421 1.024 40 0 DDABLO c1cnc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257270554 203000622 /nfs/dbraw/zinc/00/06/22/203000622.db2.gz MURZCHJFQQCZLQ-KRWDZBQOSA-N 1 2 313.357 1.821 40 0 DDABLO c1cnc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257270554 203000624 /nfs/dbraw/zinc/00/06/24/203000624.db2.gz MURZCHJFQQCZLQ-KRWDZBQOSA-N 1 2 313.357 1.821 40 0 DDABLO COc1ccccc1C(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257289070 203015975 /nfs/dbraw/zinc/01/59/75/203015975.db2.gz PWWASYUFJXXRBJ-CYBMUJFWSA-N 1 2 301.346 1.940 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)[nH+]1 ZINC000257313544 203039020 /nfs/dbraw/zinc/03/90/20/203039020.db2.gz UTCBOSUUUJHABO-CYBMUJFWSA-N 1 2 324.388 1.489 40 0 DDABLO CN(C)c1cccc([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257323678 203047051 /nfs/dbraw/zinc/04/70/51/203047051.db2.gz WLKHGKLHSPXVGB-OAHLLOKOSA-N 1 2 301.394 1.455 40 0 DDABLO CN(C)c1cccc([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257323678 203047055 /nfs/dbraw/zinc/04/70/55/203047055.db2.gz WLKHGKLHSPXVGB-OAHLLOKOSA-N 1 2 301.394 1.455 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1 ZINC000257324944 203049011 /nfs/dbraw/zinc/04/90/11/203049011.db2.gz WQVWSDJVOUFEBC-HZSPNIEDSA-N 1 2 312.377 1.022 40 0 DDABLO Cc1ncc(C[N@@H+]2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750392 182143197 /nfs/dbraw/zinc/14/31/97/182143197.db2.gz NANCBEKNKSHBNI-CQSZACIVSA-N 1 2 309.435 1.711 40 0 DDABLO Cc1ncc(C[N@H+]2CCO[C@@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750392 182143200 /nfs/dbraw/zinc/14/32/00/182143200.db2.gz NANCBEKNKSHBNI-CQSZACIVSA-N 1 2 309.435 1.711 40 0 DDABLO CC(=O)Nc1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000022239235 182315019 /nfs/dbraw/zinc/31/50/19/182315019.db2.gz HXZAOJKTYSXIOP-UHFFFAOYSA-N 1 2 322.434 1.264 40 0 DDABLO COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000257291615 286378770 /nfs/dbraw/zinc/37/87/70/286378770.db2.gz QHWGLZSLMWXZJZ-QGZVFWFLSA-N 1 2 314.389 1.824 40 0 DDABLO COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2c[nH]c[nH+]2)cc1 ZINC000257291615 286378774 /nfs/dbraw/zinc/37/87/74/286378774.db2.gz QHWGLZSLMWXZJZ-QGZVFWFLSA-N 1 2 314.389 1.824 40 0 DDABLO COCCc1nc(Nc2ccccc2C(=O)OC)cc(N)[nH+]1 ZINC000049467755 407120785 /nfs/dbraw/zinc/12/07/85/407120785.db2.gz VIQLZEKCBUKBHA-UHFFFAOYSA-N 1 2 302.334 1.778 40 0 DDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccsc2)C1 ZINC000096187766 407245542 /nfs/dbraw/zinc/24/55/42/407245542.db2.gz ZCHXJGSFYDIWHH-CYBMUJFWSA-N 1 2 305.403 1.792 40 0 DDABLO c1cn2c(n1)C[N@H+](Cc1cccnc1)C[C@@H](Cn1cncn1)C2 ZINC000096188620 407245901 /nfs/dbraw/zinc/24/59/01/407245901.db2.gz FTEYFXXGPZZNOX-OAHLLOKOSA-N 1 2 309.377 1.202 40 0 DDABLO c1cn2c(n1)C[N@@H+](Cc1cccnc1)C[C@@H](Cn1cncn1)C2 ZINC000096188620 407245903 /nfs/dbraw/zinc/24/59/03/407245903.db2.gz FTEYFXXGPZZNOX-OAHLLOKOSA-N 1 2 309.377 1.202 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)no1 ZINC000096205913 407249587 /nfs/dbraw/zinc/24/95/87/407249587.db2.gz JZLWFCDKKAFFIP-CZUORRHYSA-N 1 2 322.409 1.378 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)no1 ZINC000096205913 407249589 /nfs/dbraw/zinc/24/95/89/407249589.db2.gz JZLWFCDKKAFFIP-CZUORRHYSA-N 1 2 322.409 1.378 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1c1ccccc1 ZINC000067897060 407288994 /nfs/dbraw/zinc/28/89/94/407288994.db2.gz GPVLQNCPLKONCL-SJORKVTESA-N 1 2 309.369 1.698 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1c1ccccc1 ZINC000067897060 407288996 /nfs/dbraw/zinc/28/89/96/407288996.db2.gz GPVLQNCPLKONCL-SJORKVTESA-N 1 2 309.369 1.698 40 0 biogenic,in-vitro DDABLO c1csc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@H]2CCCO2)n1 ZINC000107745233 407379549 /nfs/dbraw/zinc/37/95/49/407379549.db2.gz KVGKOZALRGALRW-MCIONIFRSA-N 1 2 309.435 1.207 40 0 DDABLO c1csc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@H]2CCCO2)n1 ZINC000107745233 407379550 /nfs/dbraw/zinc/37/95/50/407379550.db2.gz KVGKOZALRGALRW-MCIONIFRSA-N 1 2 309.435 1.207 40 0 DDABLO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000257201006 407490317 /nfs/dbraw/zinc/49/03/17/407490317.db2.gz AFTOBYGGAYQUMK-MRXNPFEDSA-N 1 2 317.414 1.759 40 0 DDABLO C[N@H+]1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000257201006 407490324 /nfs/dbraw/zinc/49/03/24/407490324.db2.gz AFTOBYGGAYQUMK-MRXNPFEDSA-N 1 2 317.414 1.759 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCN1C ZINC000257239412 407515303 /nfs/dbraw/zinc/51/53/03/407515303.db2.gz HPDLWKOKVZKEGT-OAHLLOKOSA-N 1 2 314.389 1.407 40 0 DDABLO Cc1cnccc1C[N@@H+]1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257253958 407519233 /nfs/dbraw/zinc/51/92/33/407519233.db2.gz KBABUFOKBPRNNB-OAHLLOKOSA-N 1 2 300.362 1.768 40 0 DDABLO Cc1cnccc1C[N@H+]1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257253958 407519240 /nfs/dbraw/zinc/51/92/40/407519240.db2.gz KBABUFOKBPRNNB-OAHLLOKOSA-N 1 2 300.362 1.768 40 0 DDABLO CN(C)c1cc([C@H]2CCCN2C(=O)CN2CCOCC2)cc[nH+]1 ZINC000257261475 407523663 /nfs/dbraw/zinc/52/36/63/407523663.db2.gz LHLWNIHFGSBUMP-OAHLLOKOSA-N 1 2 318.421 1.143 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2noc3c2CCCC3)[nH+]1 ZINC000257271084 407530661 /nfs/dbraw/zinc/53/06/61/407530661.db2.gz MWTDMSMWEPFGOT-GFCCVEGCSA-N 1 2 316.361 1.799 40 0 DDABLO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](Cc3ccco3)C2)C1 ZINC000248062962 408530345 /nfs/dbraw/zinc/53/03/45/408530345.db2.gz ZFHGDTBSUOVZJS-ZDUSSCGKSA-N 1 2 308.378 1.118 40 0 DDABLO COc1ccc(OC)c(C(=S)NCC[NH+]2CCOCC2)c1 ZINC000408575210 418809583 /nfs/dbraw/zinc/80/95/83/418809583.db2.gz SWJOOEOKFZXTRA-UHFFFAOYSA-N 1 2 310.419 1.301 40 0 DDABLO CC(C)(c1noc([C@H]([NH3+])CCS(C)(=O)=O)n1)n1cccc1 ZINC000409438641 568413305 /nfs/dbraw/zinc/41/33/05/568413305.db2.gz DJVLJWNHHZJXKE-SNVBAGLBSA-N 1 2 312.395 1.089 40 0 DDABLO C[N@@H+]1Cc2ccnn2CC[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000585097407 354804798 /nfs/dbraw/zinc/80/47/98/354804798.db2.gz LGNUCRKZIYLIJF-ZDUSSCGKSA-N 1 2 320.418 1.066 40 0 DDABLO C[N@H+]1Cc2ccnn2CC[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000585097407 354804804 /nfs/dbraw/zinc/80/48/04/354804804.db2.gz LGNUCRKZIYLIJF-ZDUSSCGKSA-N 1 2 320.418 1.066 40 0 DDABLO O=C(NC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21)N1CCCC1 ZINC000585111720 354809477 /nfs/dbraw/zinc/80/94/77/354809477.db2.gz GSBMBJREWUMLHG-OAHLLOKOSA-N 1 2 303.410 1.598 40 0 DDABLO O=C(NC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21)N1CCCC1 ZINC000585111720 354809480 /nfs/dbraw/zinc/80/94/80/354809480.db2.gz GSBMBJREWUMLHG-OAHLLOKOSA-N 1 2 303.410 1.598 40 0 DDABLO C[C@]12CCCN(C(=O)CNC(=O)c3ccccc3)[C@@H]1CCC[NH2+]2 ZINC000257229830 202963192 /nfs/dbraw/zinc/96/31/92/202963192.db2.gz FZQCRHUCVMATDP-QAPCUYQASA-N 1 2 315.417 1.550 40 0 DDABLO Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000257300490 203024674 /nfs/dbraw/zinc/02/46/74/203024674.db2.gz RUNAQJRYOJCAGH-OAHLLOKOSA-N 1 2 320.437 1.222 40 0 DDABLO CCn1nc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)cc1C ZINC000257279235 203007851 /nfs/dbraw/zinc/00/78/51/203007851.db2.gz OFRKJYYAJNQTBV-ZDUSSCGKSA-N 1 2 301.394 1.883 40 0 DDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCC3CC3)C2)nc[nH+]1 ZINC000257282391 203009774 /nfs/dbraw/zinc/00/97/74/203009774.db2.gz OTONGMMMESPQAP-QGZVFWFLSA-N 1 2 317.437 1.675 40 0 DDABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCC3CC3)C2)[nH+]cn1 ZINC000257282391 203009779 /nfs/dbraw/zinc/00/97/79/203009779.db2.gz OTONGMMMESPQAP-QGZVFWFLSA-N 1 2 317.437 1.675 40 0 DDABLO Cc1ncc(C[NH+]2CC3(C2)CO[C@@H](Cc2cncnc2)C3)cn1 ZINC000257309108 203035279 /nfs/dbraw/zinc/03/52/79/203035279.db2.gz TZOLAIKENNHCIL-INIZCTEOSA-N 1 2 311.389 1.409 40 0 DDABLO CNc1cc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)cc[nH+]1 ZINC000257319380 203043130 /nfs/dbraw/zinc/04/31/30/203043130.db2.gz VSDRSSRTZUDEDB-LBPRGKRZSA-N 1 2 321.406 1.415 40 0 DDABLO Cc1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257328400 203050699 /nfs/dbraw/zinc/05/06/99/203050699.db2.gz XFLMXZUFUSXZFO-MRXNPFEDSA-N 1 2 316.361 1.139 40 0 DDABLO CCC(=O)N1c2ccc([C@H](O)C[NH+]3CCOCC3)cc2C[C@H]1C ZINC000019499225 182125751 /nfs/dbraw/zinc/12/57/51/182125751.db2.gz IDBPPVFYGJUNHH-CXAGYDPISA-N 1 2 318.417 1.740 40 0 DDABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2[nH]c3ccc(F)cc3c2C)CCO1 ZINC000072379699 406881699 /nfs/dbraw/zinc/88/16/99/406881699.db2.gz FRQOZGJSLWFFKN-QGZVFWFLSA-N 1 2 319.380 1.952 40 0 DDABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)CCO1 ZINC000072379699 406881700 /nfs/dbraw/zinc/88/17/00/406881700.db2.gz FRQOZGJSLWFFKN-QGZVFWFLSA-N 1 2 319.380 1.952 40 0 DDABLO Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000035426065 406971649 /nfs/dbraw/zinc/97/16/49/406971649.db2.gz SOBAMWGGNDVGPF-JTQLQIEISA-N 1 2 312.337 1.169 40 0 biogenic,in-vitro DDABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCC[NH+]1CCOCC1 ZINC000030851690 406935255 /nfs/dbraw/zinc/93/52/55/406935255.db2.gz XJOHMPJAAJDJKJ-MRXNPFEDSA-N 1 2 320.433 1.909 40 0 DDABLO O=C(NCCCn1cc[nH+]c1)c1ccc(Cn2ccnc2)cc1 ZINC000030944875 406936302 /nfs/dbraw/zinc/93/63/02/406936302.db2.gz APJZTDYDRQTZOX-UHFFFAOYSA-N 1 2 309.373 1.948 40 0 DDABLO CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226391 407253956 /nfs/dbraw/zinc/25/39/56/407253956.db2.gz JNIAWHLRZBLMEG-QGZVFWFLSA-N 1 2 318.421 1.871 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccncc1 ZINC000096054268 407228959 /nfs/dbraw/zinc/22/89/59/407228959.db2.gz HIIRZVDGCLWVLD-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1ccncc1 ZINC000096054268 407228961 /nfs/dbraw/zinc/22/89/61/407228961.db2.gz HIIRZVDGCLWVLD-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO c1csc(CN2Cc3[nH+]ccn3C[C@H](Cn3cncn3)C2)n1 ZINC000096188615 407245725 /nfs/dbraw/zinc/24/57/25/407245725.db2.gz ZEWGPFXGSKJJAE-GFCCVEGCSA-N 1 2 315.406 1.263 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC000096207718 407249337 /nfs/dbraw/zinc/24/93/37/407249337.db2.gz YAHIAOLTVFTPJR-AWEZNQCLSA-N 1 2 300.362 1.473 40 0 DDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2cccs2)C1 ZINC000096207833 407249500 /nfs/dbraw/zinc/24/95/00/407249500.db2.gz WFHVLMOBNMZWAX-LBPRGKRZSA-N 1 2 305.403 1.792 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2c(C)n[nH]c2C)[nH+]1 ZINC000257264591 407525326 /nfs/dbraw/zinc/52/53/26/407525326.db2.gz LVDMNMKMLWQKNY-ZDUSSCGKSA-N 1 2 303.366 1.201 40 0 DDABLO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257289723 407534902 /nfs/dbraw/zinc/53/49/02/407534902.db2.gz PZXGWDHGZOHDIF-HOTGVXAUSA-N 1 2 312.373 1.334 40 0 DDABLO Cc1n[nH]cc1C[N@H+]1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257289723 407534908 /nfs/dbraw/zinc/53/49/08/407534908.db2.gz PZXGWDHGZOHDIF-HOTGVXAUSA-N 1 2 312.373 1.334 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)cn1 ZINC000248137098 408536616 /nfs/dbraw/zinc/53/66/16/408536616.db2.gz PCFLJUIWYAWQKO-INIZCTEOSA-N 1 2 305.422 1.828 40 0 DDABLO Cn1cc(C[N@H+]2CCc3nc4sccc4c(=O)n3CC2)cn1 ZINC000019290710 279337455 /nfs/dbraw/zinc/33/74/55/279337455.db2.gz OWSUBFVRESBYOT-UHFFFAOYSA-N 1 2 315.402 1.250 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3nc4sccc4c(=O)n3CC2)cn1 ZINC000019290710 279337457 /nfs/dbraw/zinc/33/74/57/279337457.db2.gz OWSUBFVRESBYOT-UHFFFAOYSA-N 1 2 315.402 1.250 40 0 DDABLO c1csc(C[N@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)n1 ZINC000306127119 534522562 /nfs/dbraw/zinc/52/25/62/534522562.db2.gz FOTJIGUVVLOQKC-YNEHKIRRSA-N 1 2 317.418 1.492 40 0 DDABLO c1csc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)n1 ZINC000306127119 534522567 /nfs/dbraw/zinc/52/25/67/534522567.db2.gz FOTJIGUVVLOQKC-YNEHKIRRSA-N 1 2 317.418 1.492 40 0 DDABLO O=C([C@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21)N1CC(F)(F)C1 ZINC000306141212 534636216 /nfs/dbraw/zinc/63/62/16/534636216.db2.gz VONOLEKLFKJADL-CYBMUJFWSA-N 1 2 322.315 1.511 40 0 DDABLO CS(=O)(=O)N1CCC(c2cccc(N3CCCC3)[nH+]2)CC1 ZINC000072364645 191133143 /nfs/dbraw/zinc/13/31/43/191133143.db2.gz NVTXMTZXQUCGGO-UHFFFAOYSA-N 1 2 309.435 1.821 40 0 DDABLO C[NH+](C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)NC(N)=O)cc1 ZINC000006949243 352119126 /nfs/dbraw/zinc/11/91/26/352119126.db2.gz ZJHGXXFJHNEGQP-BENRWUELSA-N 1 2 323.356 1.645 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)NC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000585110926 354809391 /nfs/dbraw/zinc/80/93/91/354809391.db2.gz ZUPRZRROAAQNJD-CYBMUJFWSA-N 1 2 316.430 1.860 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)NC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000585110926 354809395 /nfs/dbraw/zinc/80/93/95/354809395.db2.gz ZUPRZRROAAQNJD-CYBMUJFWSA-N 1 2 316.430 1.860 40 0 DDABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@H+](CC1CCCC1)C2 ZINC000585112964 354810229 /nfs/dbraw/zinc/81/02/29/354810229.db2.gz XELFIKSZLOWCBM-LBPRGKRZSA-N 1 2 321.421 1.988 40 0 DDABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@@H+](CC1CCCC1)C2 ZINC000585112964 354810232 /nfs/dbraw/zinc/81/02/32/354810232.db2.gz XELFIKSZLOWCBM-LBPRGKRZSA-N 1 2 321.421 1.988 40 0 DDABLO C[N@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112294 354810325 /nfs/dbraw/zinc/81/03/25/354810325.db2.gz MYNWNYPXZLXSFP-CQSZACIVSA-N 1 2 320.418 1.238 40 0 DDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNS(=O)(=O)c2ccccc2)C1 ZINC000585112294 354810327 /nfs/dbraw/zinc/81/03/27/354810327.db2.gz MYNWNYPXZLXSFP-CQSZACIVSA-N 1 2 320.418 1.238 40 0 DDABLO CCCn1ccc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000585181452 354817758 /nfs/dbraw/zinc/81/77/58/354817758.db2.gz JEAWANMVDWKUIO-CYBMUJFWSA-N 1 2 303.366 1.538 40 0 DDABLO OC[C@]1(Cc2cccc(F)c2)C[N@H+](Cc2cnccn2)CCO1 ZINC000585275235 354819622 /nfs/dbraw/zinc/81/96/22/354819622.db2.gz AWCFPUMVXLOWJO-KRWDZBQOSA-N 1 2 317.364 1.422 40 0 DDABLO OC[C@]1(Cc2cccc(F)c2)C[N@@H+](Cc2cnccn2)CCO1 ZINC000585275235 354819623 /nfs/dbraw/zinc/81/96/23/354819623.db2.gz AWCFPUMVXLOWJO-KRWDZBQOSA-N 1 2 317.364 1.422 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)[nH+]1 ZINC000257307991 203032331 /nfs/dbraw/zinc/03/23/31/203032331.db2.gz TUZUSTSTPIDTLJ-OAHLLOKOSA-N 1 2 315.421 1.719 40 0 DDABLO CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257281914 203010342 /nfs/dbraw/zinc/01/03/42/203010342.db2.gz ORLKSZGLYJEACG-MGPQQGTHSA-N 1 2 316.361 1.171 40 0 DDABLO Cc1ccn(CCC(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257328035 203050802 /nfs/dbraw/zinc/05/08/02/203050802.db2.gz XDVMCBZQKZCHJT-AWEZNQCLSA-N 1 2 301.394 1.640 40 0 DDABLO CC(C)(C)OC(=O)NCc1ccc(N2CCN(C=O)CC2)[nH+]c1 ZINC000072225585 257123737 /nfs/dbraw/zinc/12/37/37/257123737.db2.gz UKMGPEMLWWPHCH-UHFFFAOYSA-N 1 2 320.393 1.385 40 0 DDABLO Cc1ccccc1Nc1nc(NN)[nH+]c(N2CCOCC2)n1 ZINC000000363248 406641853 /nfs/dbraw/zinc/64/18/53/406641853.db2.gz UKOZNPGWYXBHBX-UHFFFAOYSA-N 1 2 301.354 1.046 40 0 DDABLO c1coc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226507 407254018 /nfs/dbraw/zinc/25/40/18/407254018.db2.gz XNIIRZRBPMGPOA-KRWDZBQOSA-N 1 2 314.389 1.941 40 0 DDABLO c1coc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096226507 407254020 /nfs/dbraw/zinc/25/40/20/407254020.db2.gz XNIIRZRBPMGPOA-KRWDZBQOSA-N 1 2 314.389 1.941 40 0 DDABLO CN(C)C(=O)C[N@@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC000096259455 407256847 /nfs/dbraw/zinc/25/68/47/407256847.db2.gz JMDZFKYWENSRMA-UHFFFAOYSA-N 1 2 301.394 1.027 40 0 DDABLO CN(C)C(=O)C[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC000096259455 407256849 /nfs/dbraw/zinc/25/68/49/407256849.db2.gz JMDZFKYWENSRMA-UHFFFAOYSA-N 1 2 301.394 1.027 40 0 DDABLO O=C(NCC1CC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096253041 407257544 /nfs/dbraw/zinc/25/75/44/407257544.db2.gz RNBOWUGAVZWIKU-HLLBOEOZSA-N 1 2 318.392 1.941 40 0 DDABLO O=C(NCC1CC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096253041 407257545 /nfs/dbraw/zinc/25/75/45/407257545.db2.gz RNBOWUGAVZWIKU-HLLBOEOZSA-N 1 2 318.392 1.941 40 0 DDABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)N(C)C)CC2 ZINC000096037069 407224689 /nfs/dbraw/zinc/22/46/89/407224689.db2.gz WFADWPAEEVZGRZ-UHFFFAOYSA-N 1 2 305.426 1.500 40 0 DDABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)N(C)C)CC2 ZINC000096037069 407224692 /nfs/dbraw/zinc/22/46/92/407224692.db2.gz WFADWPAEEVZGRZ-UHFFFAOYSA-N 1 2 305.426 1.500 40 0 DDABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)N(C)C)CC2 ZINC000096037069 407224694 /nfs/dbraw/zinc/22/46/94/407224694.db2.gz WFADWPAEEVZGRZ-UHFFFAOYSA-N 1 2 305.426 1.500 40 0 DDABLO Fc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@@H]2CCCO2)cc1 ZINC000096054344 407228826 /nfs/dbraw/zinc/22/88/26/407228826.db2.gz PALNWLICXHTRDF-KSZLIROESA-N 1 2 320.408 1.890 40 0 DDABLO Fc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@@H]2CCCO2)cc1 ZINC000096054344 407228830 /nfs/dbraw/zinc/22/88/30/407228830.db2.gz PALNWLICXHTRDF-KSZLIROESA-N 1 2 320.408 1.890 40 0 DDABLO COCCN1CCN(C(=O)c2cnoc2C)Cc2ccc[nH+]c21 ZINC000096100119 407236839 /nfs/dbraw/zinc/23/68/39/407236839.db2.gz VWVUUQYRFOMDCL-UHFFFAOYSA-N 1 2 316.361 1.487 40 0 DDABLO COC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2ccccc2)C1 ZINC000096187759 407246130 /nfs/dbraw/zinc/24/61/30/407246130.db2.gz STGBWJGOWVJWNN-ZDUSSCGKSA-N 1 2 321.402 1.350 40 0 DDABLO Cc1noc(C)c1CN1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201094 407249020 /nfs/dbraw/zinc/24/90/20/407249020.db2.gz RDCOYTVHMABOON-UHFFFAOYSA-N 1 2 312.377 1.749 40 0 DDABLO CC(C)=CC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccncc3)[C@H]2C1 ZINC000108533077 407387651 /nfs/dbraw/zinc/38/76/51/407387651.db2.gz AGDIIQWXUVKIKR-IRXDYDNUSA-N 1 2 315.417 1.850 40 0 DDABLO CC(C)=CC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccncc3)[C@H]2C1 ZINC000108533077 407387653 /nfs/dbraw/zinc/38/76/53/407387653.db2.gz AGDIIQWXUVKIKR-IRXDYDNUSA-N 1 2 315.417 1.850 40 0 DDABLO Cc1ccc(N2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)[nH+]c1 ZINC000257204286 407494998 /nfs/dbraw/zinc/49/49/98/407494998.db2.gz ATVHDAOVALTQJX-NSHDSACASA-N 1 2 306.391 1.511 40 0 DDABLO CC(=O)N1CCC(Cc2cncc(-c3c[nH+]c(C)n3C)n2)CC1 ZINC000257219728 407500743 /nfs/dbraw/zinc/50/07/43/407500743.db2.gz DHXFPZMTEULQTB-UHFFFAOYSA-N 1 2 313.405 1.987 40 0 DDABLO O=C(COc1cccnc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257224248 407504891 /nfs/dbraw/zinc/50/48/91/407504891.db2.gz FAYFTRKQNXTXPJ-AWEZNQCLSA-N 1 2 312.373 1.641 40 0 DDABLO COc1cc(C)c(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c1 ZINC000224229150 407576639 /nfs/dbraw/zinc/57/66/39/407576639.db2.gz SZFRGTVXQAETTJ-UHFFFAOYSA-N 1 2 323.418 1.877 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2cncnc2)CC[N@@H+]1C ZINC000257248754 407518147 /nfs/dbraw/zinc/51/81/47/407518147.db2.gz JFALXDYJCBITPU-OAHLLOKOSA-N 1 2 312.373 1.614 40 0 DDABLO COc1ccccc1[C@H]1CN(C(=O)c2cncnc2)CC[N@H+]1C ZINC000257248754 407518156 /nfs/dbraw/zinc/51/81/56/407518156.db2.gz JFALXDYJCBITPU-OAHLLOKOSA-N 1 2 312.373 1.614 40 0 DDABLO C[N@H+]1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 ZINC000248164515 408539058 /nfs/dbraw/zinc/53/90/58/408539058.db2.gz ZBMJABHDUBUMLK-ZDUSSCGKSA-N 1 2 304.419 1.680 40 0 DDABLO C[N@@H+]1Cc2ccnn2[C@@H](CC(=O)NCCc2cccs2)C1 ZINC000248164515 408539064 /nfs/dbraw/zinc/53/90/64/408539064.db2.gz ZBMJABHDUBUMLK-ZDUSSCGKSA-N 1 2 304.419 1.680 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000019405296 280385798 /nfs/dbraw/zinc/38/57/98/280385798.db2.gz OFBUUEKJHNPTGW-UHFFFAOYSA-N 1 2 320.356 1.180 40 0 DDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000019405296 280385803 /nfs/dbraw/zinc/38/58/03/280385803.db2.gz OFBUUEKJHNPTGW-UHFFFAOYSA-N 1 2 320.356 1.180 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@H]2COCc1cccnc1 ZINC000306136376 231090247 /nfs/dbraw/zinc/09/02/47/231090247.db2.gz PSADAANSVGBAOU-INIZCTEOSA-N 1 2 322.372 1.846 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](Cc1cccs1)C2 ZINC000585110766 354809445 /nfs/dbraw/zinc/80/94/45/354809445.db2.gz CMQXDEMKZUWNLW-ZDUSSCGKSA-N 1 2 316.430 1.813 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](Cc1cccs1)C2 ZINC000585110766 354809448 /nfs/dbraw/zinc/80/94/48/354809448.db2.gz CMQXDEMKZUWNLW-ZDUSSCGKSA-N 1 2 316.430 1.813 40 0 DDABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000585275994 354820656 /nfs/dbraw/zinc/82/06/56/354820656.db2.gz CSGRXQZUNZGZLA-OAHLLOKOSA-N 1 2 312.797 1.433 40 0 DDABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000585275994 354820659 /nfs/dbraw/zinc/82/06/59/354820659.db2.gz CSGRXQZUNZGZLA-OAHLLOKOSA-N 1 2 312.797 1.433 40 0 DDABLO CCCNC(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012185682 283368676 /nfs/dbraw/zinc/36/86/76/283368676.db2.gz VOZVIVKPYBURPW-UHFFFAOYSA-N 1 2 317.389 1.127 40 0 DDABLO CNc1cncc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000257274874 203003206 /nfs/dbraw/zinc/00/32/06/203003206.db2.gz NMYNKTIOHDIQBQ-CQSZACIVSA-N 1 2 314.393 1.859 40 0 DDABLO Cc1ccccc1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257298120 203024298 /nfs/dbraw/zinc/02/42/98/203024298.db2.gz RKFSKROMWBFZGL-IRXDYDNUSA-N 1 2 313.401 1.959 40 0 DDABLO CCc1nnsc1C(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257322845 203046838 /nfs/dbraw/zinc/04/68/38/203046838.db2.gz WHQMDTOJCZKTLZ-SNVBAGLBSA-N 1 2 307.379 1.346 40 0 DDABLO CCC(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257340189 203062707 /nfs/dbraw/zinc/06/27/07/203062707.db2.gz ZEZAWBXUQQAXGU-MRXNPFEDSA-N 1 2 303.406 1.987 40 0 DDABLO C[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)n1cc[nH+]c1 ZINC000019462096 182124335 /nfs/dbraw/zinc/12/43/35/182124335.db2.gz MMAMSOCZVUQDOI-VHSXEESVSA-N 1 2 300.318 1.802 40 0 DDABLO Cn1cc(C(=O)NCCCn2cc[nH+]c2)c(=O)c2ccccc21 ZINC000022234260 182314127 /nfs/dbraw/zinc/31/41/27/182314127.db2.gz JCSMXITXVRHDFO-UHFFFAOYSA-N 1 2 310.357 1.555 40 0 DDABLO OCC[N@@H+]1CCO[C@H](COc2ccc(Br)cc2)C1 ZINC000217498964 257132273 /nfs/dbraw/zinc/13/22/73/257132273.db2.gz UYWMVKCYUGEJOZ-ZDUSSCGKSA-N 1 2 316.195 1.521 40 0 DDABLO OCC[N@H+]1CCO[C@H](COc2ccc(Br)cc2)C1 ZINC000217498964 257132275 /nfs/dbraw/zinc/13/22/75/257132275.db2.gz UYWMVKCYUGEJOZ-ZDUSSCGKSA-N 1 2 316.195 1.521 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@@H+]21 ZINC000216525818 257132532 /nfs/dbraw/zinc/13/25/32/257132532.db2.gz ASTMRLPYJIVQKR-UPJWGTAASA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@H+]21 ZINC000216525818 257132533 /nfs/dbraw/zinc/13/25/33/257132533.db2.gz ASTMRLPYJIVQKR-UPJWGTAASA-N 1 2 323.389 1.315 40 0 DDABLO COc1ccc(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000014396655 406875181 /nfs/dbraw/zinc/87/51/81/406875181.db2.gz GTCTZEVAVFIJGG-ZDUSSCGKSA-N 1 2 303.362 1.866 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096245891 407256255 /nfs/dbraw/zinc/25/62/55/407256255.db2.gz CVDLXQXSIRWEIK-GJZGRUSLSA-N 1 2 311.389 1.191 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096245891 407256258 /nfs/dbraw/zinc/25/62/58/407256258.db2.gz CVDLXQXSIRWEIK-GJZGRUSLSA-N 1 2 311.389 1.191 40 0 DDABLO Cn1cc[nH+]c1CN1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096245891 407256261 /nfs/dbraw/zinc/25/62/61/407256261.db2.gz CVDLXQXSIRWEIK-GJZGRUSLSA-N 1 2 311.389 1.191 40 0 DDABLO Cc1nc(NC(C)C)nc2c1C[N@H+](Cc1nccn1C)CC2 ZINC000096253899 407257583 /nfs/dbraw/zinc/25/75/83/407257583.db2.gz ZOUDAILMPFUAGC-UHFFFAOYSA-N 1 2 300.410 1.897 40 0 DDABLO Cc1nc(NC(C)C)nc2c1C[N@@H+](Cc1nccn1C)CC2 ZINC000096253899 407257585 /nfs/dbraw/zinc/25/75/85/407257585.db2.gz ZOUDAILMPFUAGC-UHFFFAOYSA-N 1 2 300.410 1.897 40 0 DDABLO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3ccsc3)CCO2)C1 ZINC000096049901 407228621 /nfs/dbraw/zinc/22/86/21/407228621.db2.gz QFUFLNJKMPOILF-HNNXBMFYSA-N 1 2 310.419 1.198 40 0 DDABLO CC(=O)N1CCOC[C@]2(C[N@@H+](Cc3ccsc3)CCO2)C1 ZINC000096049901 407228622 /nfs/dbraw/zinc/22/86/22/407228622.db2.gz QFUFLNJKMPOILF-HNNXBMFYSA-N 1 2 310.419 1.198 40 0 DDABLO COCCN1C(=O)CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1csc(C)n1 ZINC000096056490 407230955 /nfs/dbraw/zinc/23/09/55/407230955.db2.gz NSTBOKFRRAZRTR-KGLIPLIRSA-N 1 2 309.435 1.663 40 0 DDABLO COCCN1C(=O)CC[C@@H]2[C@@H]1CC[N@H+]2Cc1csc(C)n1 ZINC000096056490 407230956 /nfs/dbraw/zinc/23/09/56/407230956.db2.gz NSTBOKFRRAZRTR-KGLIPLIRSA-N 1 2 309.435 1.663 40 0 DDABLO COCCN1CCN(C(=O)C2CCOCC2)Cc2ccc[nH+]c21 ZINC000096060945 407232007 /nfs/dbraw/zinc/23/20/07/407232007.db2.gz FSWYJKAWHJZGJX-UHFFFAOYSA-N 1 2 319.405 1.303 40 0 DDABLO Fc1cnc(N2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@@H]32)nc1 ZINC000096082626 407236135 /nfs/dbraw/zinc/23/61/35/407236135.db2.gz JDRAHXOWXAXKNN-KWCYVHTRSA-N 1 2 303.341 1.496 40 0 DDABLO C[N@@H+](Cc1cn2c(n1)CN([C@H]1CCOC1)CC2)Cc1ccco1 ZINC000107213213 407370841 /nfs/dbraw/zinc/37/08/41/407370841.db2.gz HDOOUWRWXGWGHQ-HNNXBMFYSA-N 1 2 316.405 1.713 40 0 DDABLO C[N@H+](Cc1cn2c(n1)CN([C@H]1CCOC1)CC2)Cc1ccco1 ZINC000107213213 407370842 /nfs/dbraw/zinc/37/08/42/407370842.db2.gz HDOOUWRWXGWGHQ-HNNXBMFYSA-N 1 2 316.405 1.713 40 0 DDABLO Cc1cc([C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)nc(C)n1 ZINC000257239552 407513714 /nfs/dbraw/zinc/51/37/14/407513714.db2.gz HPVHAMHPPPYFJX-HNNXBMFYSA-N 1 2 307.394 1.008 40 0 DDABLO Cc1cc([C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)nc(C)n1 ZINC000257239552 407513719 /nfs/dbraw/zinc/51/37/19/407513719.db2.gz HPVHAMHPPPYFJX-HNNXBMFYSA-N 1 2 307.394 1.008 40 0 DDABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(Cl)cc1 ZINC000257241835 407515114 /nfs/dbraw/zinc/51/51/14/407515114.db2.gz HZUVHYRXHOVJNR-HOCLYGCPSA-N 1 2 324.808 1.894 40 0 DDABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(Cl)cc1 ZINC000257241835 407515120 /nfs/dbraw/zinc/51/51/20/407515120.db2.gz HZUVHYRXHOVJNR-HOCLYGCPSA-N 1 2 324.808 1.894 40 0 DDABLO C[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000329032821 410063307 /nfs/dbraw/zinc/06/33/07/410063307.db2.gz QQBKZHHAKZLCTE-CYBMUJFWSA-N 1 2 324.384 1.985 40 0 DDABLO Cc1ccc(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)c(C)c1 ZINC000408679541 418810535 /nfs/dbraw/zinc/81/05/35/418810535.db2.gz NMJRLPINJGYPHA-OAHLLOKOSA-N 1 2 306.406 1.519 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccccc2C)[nH+]1 ZINC000257236244 301025641 /nfs/dbraw/zinc/02/56/41/301025641.db2.gz HBILNODLDRLJBL-CYBMUJFWSA-N 1 2 321.402 1.789 40 0 DDABLO COc1cccc(Nc2nc(N)nc(C[NH+]3CCCC3)n2)c1 ZINC000014163565 333150457 /nfs/dbraw/zinc/15/04/57/333150457.db2.gz QIXFHAOXXAUERQ-UHFFFAOYSA-N 1 2 300.366 1.802 40 0 DDABLO Cn1cc(-c2c[nH+]c3n2C[C@]2(CCN(c4ncccn4)C2)C3)cn1 ZINC000306144235 534719056 /nfs/dbraw/zinc/71/90/56/534719056.db2.gz ZADWUDBGFBCHGJ-QGZVFWFLSA-N 1 2 321.388 1.526 40 0 DDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cnc(C)cn1 ZINC000585094794 354803055 /nfs/dbraw/zinc/80/30/55/354803055.db2.gz NCPPZCGTWUPPCP-LBPRGKRZSA-N 1 2 315.377 1.122 40 0 DDABLO Cc1cc(CC2CCN(C(=O)c3cnc[nH]c3=O)CC2)cc[nH+]1 ZINC000257282482 203010046 /nfs/dbraw/zinc/01/00/46/203010046.db2.gz OTXJZLOSUJTVNA-UHFFFAOYSA-N 1 2 312.373 1.981 40 0 DDABLO Cn1cc[nH+]c1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257287981 203013509 /nfs/dbraw/zinc/01/35/09/203013509.db2.gz PSHAVNRPULHPJY-GJZGRUSLSA-N 1 2 312.373 1.036 40 0 DDABLO CN(C)c1cc(C[C@@H]2COCCN(c3cccc[nH+]3)C2)ncn1 ZINC000257336552 203058360 /nfs/dbraw/zinc/05/83/60/203058360.db2.gz YOYOTIPAKNINDY-AWEZNQCLSA-N 1 2 313.405 1.633 40 0 DDABLO O=C(CCCc1c[nH]c2ccccc12)NCC[NH+]1CCOCC1 ZINC000020740770 182245925 /nfs/dbraw/zinc/24/59/25/182245925.db2.gz GDBLCNDBZLXROY-UHFFFAOYSA-N 1 2 315.417 1.939 40 0 DDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)c1ccc(F)cc1 ZINC000015676571 291606797 /nfs/dbraw/zinc/60/67/97/291606797.db2.gz WHRAADZMZBNMBH-ZDUSSCGKSA-N 1 2 317.320 1.299 40 0 biogenic,in-vitro DDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2c[nH]ccc2=S)CC1 ZINC000072210674 257127951 /nfs/dbraw/zinc/12/79/51/257127951.db2.gz APAZOIAYQPSJJY-UHFFFAOYSA-N 1 2 301.437 1.085 40 0 DDABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCO)CC1 ZINC000012116333 406835409 /nfs/dbraw/zinc/83/54/09/406835409.db2.gz RXLDXCVDAMWNIK-UHFFFAOYSA-N 1 2 316.405 1.288 40 0 DDABLO COc1ccc(OCCCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000014397850 406874666 /nfs/dbraw/zinc/87/46/66/406874666.db2.gz MDQLNXXMDUBFHB-UHFFFAOYSA-N 1 2 322.405 1.303 40 0 DDABLO CC[N@@H+]1CCN(C)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000096230242 407254340 /nfs/dbraw/zinc/25/43/40/407254340.db2.gz VRUYQWXXRORVHG-UHFFFAOYSA-N 1 2 307.463 1.877 40 0 DDABLO CC[N@H+]1CCN(C)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000096230242 407254342 /nfs/dbraw/zinc/25/43/42/407254342.db2.gz VRUYQWXXRORVHG-UHFFFAOYSA-N 1 2 307.463 1.877 40 0 DDABLO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038886 407224422 /nfs/dbraw/zinc/22/44/22/407224422.db2.gz ATJZFERIVGFXSW-YNEHKIRRSA-N 1 2 307.419 1.259 40 0 DDABLO O=C(NC1CC1)[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038886 407224424 /nfs/dbraw/zinc/22/44/24/407224424.db2.gz ATJZFERIVGFXSW-YNEHKIRRSA-N 1 2 307.419 1.259 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccccn1 ZINC000096062065 407231537 /nfs/dbraw/zinc/23/15/37/407231537.db2.gz KTHSGICPKHFWGP-ZDUSSCGKSA-N 1 2 322.372 1.740 40 0 DDABLO COCCN1CC[N@H+](Cc2nccn2C)Cc2cccnc21 ZINC000096198848 407247594 /nfs/dbraw/zinc/24/75/94/407247594.db2.gz WIMACNDAIPAOBW-UHFFFAOYSA-N 1 2 301.394 1.284 40 0 DDABLO COCCN1CC[N@@H+](Cc2nccn2C)Cc2cccnc21 ZINC000096198848 407247596 /nfs/dbraw/zinc/24/75/96/407247596.db2.gz WIMACNDAIPAOBW-UHFFFAOYSA-N 1 2 301.394 1.284 40 0 DDABLO Cc1occc1C(=O)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201103 407248469 /nfs/dbraw/zinc/24/84/69/407248469.db2.gz RQPXBVKHXYQKGB-UHFFFAOYSA-N 1 2 311.345 1.685 40 0 DDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)C2CCSCC2)C1 ZINC000096206504 407250082 /nfs/dbraw/zinc/25/00/82/407250082.db2.gz ATPPBNLUIQRHET-GFCCVEGCSA-N 1 2 309.435 1.631 40 0 DDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)o1 ZINC000107264212 407371803 /nfs/dbraw/zinc/37/18/03/407371803.db2.gz LYUHERAZLPIACH-BZUAXINKSA-N 1 2 320.389 1.036 40 0 DDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)o1 ZINC000107264212 407371804 /nfs/dbraw/zinc/37/18/04/407371804.db2.gz LYUHERAZLPIACH-BZUAXINKSA-N 1 2 320.389 1.036 40 0 DDABLO CC(=O)N1CCC[N@H+](Cc2ccnc([C@]3(C)CCCO3)n2)CC1 ZINC000257201158 407490041 /nfs/dbraw/zinc/49/00/41/407490041.db2.gz AGNVBUGGLYYSOB-KRWDZBQOSA-N 1 2 318.421 1.556 40 0 DDABLO CC(=O)N1CCC[N@@H+](Cc2ccnc([C@]3(C)CCCO3)n2)CC1 ZINC000257201158 407490051 /nfs/dbraw/zinc/49/00/51/407490051.db2.gz AGNVBUGGLYYSOB-KRWDZBQOSA-N 1 2 318.421 1.556 40 0 DDABLO O=c1cc(CC[C@@H]2C[N@H+](Cc3cccnc3)CCO2)nc[nH]1 ZINC000257325725 407535094 /nfs/dbraw/zinc/53/50/94/407535094.db2.gz WUDSDCUPMFUJGC-OAHLLOKOSA-N 1 2 300.362 1.411 40 0 DDABLO O=c1cc(CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)nc[nH]1 ZINC000257325725 407535101 /nfs/dbraw/zinc/53/51/01/407535101.db2.gz WUDSDCUPMFUJGC-OAHLLOKOSA-N 1 2 300.362 1.411 40 0 DDABLO Cn1ccnc1CN1CCO[C@@H]2[C@@H](Cn3cc[nH+]c3)CC[C@H]21 ZINC000306132840 231088038 /nfs/dbraw/zinc/08/80/38/231088038.db2.gz LTZMMCAFHJEVIP-IIAWOOMASA-N 1 2 301.394 1.296 40 0 DDABLO Cc1cc(N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)nc(N)[nH+]1 ZINC000072388632 191147847 /nfs/dbraw/zinc/14/78/47/191147847.db2.gz AMAHGGCISXIUCN-NSHDSACASA-N 1 2 315.381 1.134 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1cccc(F)c1 ZINC000585094743 354803117 /nfs/dbraw/zinc/80/31/17/354803117.db2.gz KEWDSBAKTMAHOM-AWEZNQCLSA-N 1 2 317.364 1.702 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000585113063 354810167 /nfs/dbraw/zinc/81/01/67/354810167.db2.gz YGKYWTMPJYIAQA-OAHLLOKOSA-N 1 2 314.389 1.585 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2OC)Cc2ccnn21 ZINC000585113063 354810169 /nfs/dbraw/zinc/81/01/69/354810169.db2.gz YGKYWTMPJYIAQA-OAHLLOKOSA-N 1 2 314.389 1.585 40 0 DDABLO CNc1cc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc[nH+]1 ZINC000257275843 203004153 /nfs/dbraw/zinc/00/41/53/203004153.db2.gz NREHYDUGOCRNBB-CQSZACIVSA-N 1 2 316.405 1.452 40 0 DDABLO Cc1onc(C(C)C)c1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257310508 203033756 /nfs/dbraw/zinc/03/37/56/203033756.db2.gz UFICOCHVGMGOCA-LALPHHSUSA-N 1 2 318.377 1.797 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH+]1 ZINC000257293779 203018243 /nfs/dbraw/zinc/01/82/43/203018243.db2.gz QRDYNZUDDRWPTG-LBPRGKRZSA-N 1 2 323.422 1.296 40 0 DDABLO CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)cc[nH+]1 ZINC000257323783 203048245 /nfs/dbraw/zinc/04/82/45/203048245.db2.gz WLVGEZIYQVFPNG-CYBMUJFWSA-N 1 2 321.406 1.397 40 0 DDABLO Cc1noc(C)c1CC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257338341 203060325 /nfs/dbraw/zinc/06/03/25/203060325.db2.gz YWYNUJFBINOXJN-IIAWOOMASA-N 1 2 318.377 1.253 40 0 DDABLO Cc1c(C[N@@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019747007 182141929 /nfs/dbraw/zinc/14/19/29/182141929.db2.gz HGBBTAFSAIBYCD-KRWDZBQOSA-N 1 2 320.437 1.378 40 0 DDABLO Cc1c(C[N@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019747007 182141930 /nfs/dbraw/zinc/14/19/30/182141930.db2.gz HGBBTAFSAIBYCD-KRWDZBQOSA-N 1 2 320.437 1.378 40 0 DDABLO CC[C@@H](Oc1cccc(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000022526011 182324934 /nfs/dbraw/zinc/32/49/34/182324934.db2.gz CJLYZQCDOQMSQZ-MRXNPFEDSA-N 1 2 306.406 1.601 40 0 DDABLO Fc1ccccc1C[N@@H+]1CCOC[C@H](Oc2cnccn2)C1 ZINC000077265916 406982545 /nfs/dbraw/zinc/98/25/45/406982545.db2.gz VLBJTFMZOJPTBD-CQSZACIVSA-N 1 2 303.337 1.896 40 0 biogenic,in-vitro DDABLO Fc1ccccc1C[N@H+]1CCOC[C@H](Oc2cnccn2)C1 ZINC000077265916 406982546 /nfs/dbraw/zinc/98/25/46/406982546.db2.gz VLBJTFMZOJPTBD-CQSZACIVSA-N 1 2 303.337 1.896 40 0 biogenic,in-vitro DDABLO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060268 407232044 /nfs/dbraw/zinc/23/20/44/407232044.db2.gz DNPVBZPIFLHMAA-HNNXBMFYSA-N 1 2 315.421 1.772 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(CC3CC3)c21 ZINC000096060268 407232046 /nfs/dbraw/zinc/23/20/46/407232046.db2.gz DNPVBZPIFLHMAA-HNNXBMFYSA-N 1 2 315.421 1.772 40 0 DDABLO c1csc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)n1 ZINC000096185801 407244039 /nfs/dbraw/zinc/24/40/39/407244039.db2.gz DLEHYVDMSOAQFD-KCQAQPDRSA-N 1 2 309.435 1.207 40 0 DDABLO c1csc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)n1 ZINC000096185801 407244040 /nfs/dbraw/zinc/24/40/40/407244040.db2.gz DLEHYVDMSOAQFD-KCQAQPDRSA-N 1 2 309.435 1.207 40 0 DDABLO C[N@H+]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096185736 407244226 /nfs/dbraw/zinc/24/42/26/407244226.db2.gz WBCGQCJDEJVNMS-ARFHVFGLSA-N 1 2 319.474 1.779 40 0 DDABLO C[N@@H+]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096185736 407244228 /nfs/dbraw/zinc/24/42/28/407244228.db2.gz WBCGQCJDEJVNMS-ARFHVFGLSA-N 1 2 319.474 1.779 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccoc2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000096185137 407244795 /nfs/dbraw/zinc/24/47/95/407244795.db2.gz NPDIYSWIRDLRFF-RBSFLKMASA-N 1 2 318.398 1.970 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000096185137 407244796 /nfs/dbraw/zinc/24/47/96/407244796.db2.gz NPDIYSWIRDLRFF-RBSFLKMASA-N 1 2 318.398 1.970 40 0 DDABLO O=C(NC[C@H]1OC[C@H]2CN(c3cccc[nH+]3)CC[C@H]21)C1CC1 ZINC000096187326 407245992 /nfs/dbraw/zinc/24/59/92/407245992.db2.gz MXPKQBMKAABUCO-RBSFLKMASA-N 1 2 301.390 1.449 40 0 DDABLO O=C(c1ccoc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196949 407247279 /nfs/dbraw/zinc/24/72/79/407247279.db2.gz GWWWGYZJQBURBB-UHFFFAOYSA-N 1 2 311.345 1.419 40 0 DDABLO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(OC)c(F)c3)[C@H]2C1 ZINC000107798230 407380054 /nfs/dbraw/zinc/38/00/54/407380054.db2.gz RDHSLNLAUJOYIN-ZFWWWQNUSA-N 1 2 322.380 1.513 40 0 DDABLO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)[C@H]2C1 ZINC000107798230 407380055 /nfs/dbraw/zinc/38/00/55/407380055.db2.gz RDHSLNLAUJOYIN-ZFWWWQNUSA-N 1 2 322.380 1.513 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000257227727 407507779 /nfs/dbraw/zinc/50/77/79/407507779.db2.gz FQPXWEAIPOEEEM-LBPRGKRZSA-N 1 2 306.391 1.198 40 0 DDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000257227727 407507789 /nfs/dbraw/zinc/50/77/89/407507789.db2.gz FQPXWEAIPOEEEM-LBPRGKRZSA-N 1 2 306.391 1.198 40 0 DDABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2S(C)(=O)=O)cc1 ZINC000257249000 407516504 /nfs/dbraw/zinc/51/65/04/407516504.db2.gz JGGJLQMDZWZTNQ-CYBMUJFWSA-N 1 2 307.375 1.408 40 0 DDABLO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257244863 407518662 /nfs/dbraw/zinc/51/86/62/407518662.db2.gz INCDBWZSAFYOOD-IIAWOOMASA-N 1 2 318.377 1.301 40 0 DDABLO CCc1noc(C)c1C(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257266924 407526898 /nfs/dbraw/zinc/52/68/98/407526898.db2.gz MFEDERRTQIVONS-LBPRGKRZSA-N 1 2 304.350 1.791 40 0 DDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1 ZINC000257333779 407533202 /nfs/dbraw/zinc/53/32/02/407533202.db2.gz YCZYXEJJXYVSCP-GFCCVEGCSA-N 1 2 301.350 1.175 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cccn2)CC[N@@H+]1C ZINC000257313804 407534923 /nfs/dbraw/zinc/53/49/23/407534923.db2.gz UUFIYJXOQUYOFG-HNNXBMFYSA-N 1 2 314.389 1.407 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cccn2)CC[N@H+]1C ZINC000257313804 407534929 /nfs/dbraw/zinc/53/49/29/407534929.db2.gz UUFIYJXOQUYOFG-HNNXBMFYSA-N 1 2 314.389 1.407 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)[nH+]cn1)C2 ZINC000329070636 410085114 /nfs/dbraw/zinc/08/51/14/410085114.db2.gz ZINYGYGQGMWRRI-LBPRGKRZSA-N 1 2 314.389 1.841 40 0 DDABLO COc1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)nc[nH+]1)C2 ZINC000329070636 410085119 /nfs/dbraw/zinc/08/51/19/410085119.db2.gz ZINYGYGQGMWRRI-LBPRGKRZSA-N 1 2 314.389 1.841 40 0 DDABLO CC[N@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420161 422295769 /nfs/dbraw/zinc/29/57/69/422295769.db2.gz GNIJMJZLNOWBTN-OLZOCXBDSA-N 1 2 303.811 1.320 40 0 DDABLO CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575420161 422295775 /nfs/dbraw/zinc/29/57/75/422295775.db2.gz GNIJMJZLNOWBTN-OLZOCXBDSA-N 1 2 303.811 1.320 40 0 DDABLO CS(=O)(=O)N1CCC(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000072360678 191131652 /nfs/dbraw/zinc/13/16/52/191131652.db2.gz VYFPAYCIVHTYGO-UHFFFAOYSA-N 1 2 320.418 1.481 40 0 DDABLO CS(=O)(=O)N1CCC[C@H](c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000072364819 191133246 /nfs/dbraw/zinc/13/32/46/191133246.db2.gz XXVZOXDKARIWHP-LBPRGKRZSA-N 1 2 306.391 1.406 40 0 DDABLO Cc1cc(N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072366689 191137203 /nfs/dbraw/zinc/13/72/03/191137203.db2.gz LYFWUQDJVPGZHR-CYBMUJFWSA-N 1 2 300.366 1.219 40 0 DDABLO Cc1ccc(SCCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020242088 352170492 /nfs/dbraw/zinc/17/04/92/352170492.db2.gz KZDQDFVHAKLSJC-UHFFFAOYSA-N 1 2 308.447 1.926 40 0 DDABLO c1cc(C[N@@H+]2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccn1 ZINC000096110689 353914177 /nfs/dbraw/zinc/91/41/77/353914177.db2.gz WJZCSFWLMAHCAB-HZPDHXFCSA-N 1 2 311.389 1.209 40 0 DDABLO c1cc(C[N@H+]2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccn1 ZINC000096110689 353914178 /nfs/dbraw/zinc/91/41/78/353914178.db2.gz WJZCSFWLMAHCAB-HZPDHXFCSA-N 1 2 311.389 1.209 40 0 DDABLO CCS(=O)(=O)CC[N@H+]1Cc2cccn2C[C@H](CCOC)C1 ZINC000585095550 354803873 /nfs/dbraw/zinc/80/38/73/354803873.db2.gz WPWYOXBDWHNPOK-CQSZACIVSA-N 1 2 314.451 1.391 40 0 DDABLO CCS(=O)(=O)CC[N@@H+]1Cc2cccn2C[C@H](CCOC)C1 ZINC000585095550 354803874 /nfs/dbraw/zinc/80/38/74/354803874.db2.gz WPWYOXBDWHNPOK-CQSZACIVSA-N 1 2 314.451 1.391 40 0 DDABLO O=C([C@@H]1CCOC1)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111130 354809218 /nfs/dbraw/zinc/80/92/18/354809218.db2.gz FROLKYFCWVWIHV-CQSZACIVSA-N 1 2 312.373 1.366 40 0 DDABLO Cc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)no1 ZINC000585269452 354818587 /nfs/dbraw/zinc/81/85/87/354818587.db2.gz VBLRZMXCPSDEFW-KRWDZBQOSA-N 1 2 318.373 1.625 40 0 DDABLO Cc1cc(C[N@H+]2CCOC[C@](O)(COc3ccccc3)C2)no1 ZINC000585269452 354818588 /nfs/dbraw/zinc/81/85/88/354818588.db2.gz VBLRZMXCPSDEFW-KRWDZBQOSA-N 1 2 318.373 1.625 40 0 DDABLO Cn1c[nH+]c(CN2CCO[C@@](CO)(Cc3ccccc3F)C2)c1 ZINC000585275292 354819735 /nfs/dbraw/zinc/81/97/35/354819735.db2.gz CKOBJXQAYQTKGQ-KRWDZBQOSA-N 1 2 319.380 1.365 40 0 DDABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1cccnc1 ZINC000257277468 203006016 /nfs/dbraw/zinc/00/60/16/203006016.db2.gz NYCNWVFUZKKOLF-QGZVFWFLSA-N 1 2 311.389 1.451 40 0 DDABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1cccnc1 ZINC000257277468 203006021 /nfs/dbraw/zinc/00/60/21/203006021.db2.gz NYCNWVFUZKKOLF-QGZVFWFLSA-N 1 2 311.389 1.451 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccc(F)cc2)[nH+]1 ZINC000257293165 203019163 /nfs/dbraw/zinc/01/91/63/203019163.db2.gz QOKAIUDURIAJKS-CQSZACIVSA-N 1 2 319.336 1.836 40 0 DDABLO CC[N@@H+]1CC(=O)NC[C@@]12CCN(C(=O)Nc1ccccc1)C2 ZINC000096238266 193595230 /nfs/dbraw/zinc/59/52/30/193595230.db2.gz HWUMIXAXKPOTMH-MRXNPFEDSA-N 1 2 302.378 1.115 40 0 DDABLO CC[N@H+]1CC(=O)NC[C@@]12CCN(C(=O)Nc1ccccc1)C2 ZINC000096238266 193595231 /nfs/dbraw/zinc/59/52/31/193595231.db2.gz HWUMIXAXKPOTMH-MRXNPFEDSA-N 1 2 302.378 1.115 40 0 DDABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000020486587 182223193 /nfs/dbraw/zinc/22/31/93/182223193.db2.gz XXTDCWHJNPHUSC-GFCCVEGCSA-N 1 2 324.446 1.958 40 0 DDABLO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000038754380 183008800 /nfs/dbraw/zinc/00/88/00/183008800.db2.gz VQSZPRORCDVAIB-OAHLLOKOSA-N 1 2 310.369 1.432 40 0 DDABLO O=C([C@@H]1CCc2n[nH]cc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000270094196 208153706 /nfs/dbraw/zinc/15/37/06/208153706.db2.gz AGBFYZSPCSOXAH-CYBMUJFWSA-N 1 2 311.389 1.258 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cn1 ZINC000096042113 256553613 /nfs/dbraw/zinc/55/36/13/256553613.db2.gz OTDKTOZUBOVVKM-YESZJQIVSA-N 1 2 314.389 1.626 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cn1 ZINC000096042113 256553615 /nfs/dbraw/zinc/55/36/15/256553615.db2.gz OTDKTOZUBOVVKM-YESZJQIVSA-N 1 2 314.389 1.626 40 0 DDABLO O=C(NCc1ccncc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044903466 407032731 /nfs/dbraw/zinc/03/27/31/407032731.db2.gz QGVCPWRIBKZPNW-UHFFFAOYSA-N 1 2 311.385 1.844 40 0 DDABLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000049169273 407116582 /nfs/dbraw/zinc/11/65/82/407116582.db2.gz FQHACPKWADLUAC-ZDUSSCGKSA-N 1 2 321.402 1.771 40 0 biogenic,in-vitro DDABLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)o1 ZINC000049169273 407116585 /nfs/dbraw/zinc/11/65/85/407116585.db2.gz FQHACPKWADLUAC-ZDUSSCGKSA-N 1 2 321.402 1.771 40 0 biogenic,in-vitro DDABLO O=C([O-])C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096229372 407254166 /nfs/dbraw/zinc/25/41/66/407254166.db2.gz NCSAJUYJYVNHRZ-KRWDZBQOSA-N 1 2 319.405 1.081 40 0 DDABLO O=C([O-])C[N@H+]1CCC[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096229372 407254169 /nfs/dbraw/zinc/25/41/69/407254169.db2.gz NCSAJUYJYVNHRZ-KRWDZBQOSA-N 1 2 319.405 1.081 40 0 DDABLO O=C([O-])C[NH+]1CCC[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096229372 407254170 /nfs/dbraw/zinc/25/41/70/407254170.db2.gz NCSAJUYJYVNHRZ-KRWDZBQOSA-N 1 2 319.405 1.081 40 0 DDABLO O=C([O-])C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096229372 407254171 /nfs/dbraw/zinc/25/41/71/407254171.db2.gz NCSAJUYJYVNHRZ-KRWDZBQOSA-N 1 2 319.405 1.081 40 0 DDABLO O=C(c1ccco1)N1CCO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000096248739 407255453 /nfs/dbraw/zinc/25/54/53/407255453.db2.gz LIYXMRHNFQNOHX-ZBFHGGJFSA-N 1 2 313.357 1.400 40 0 DDABLO O=C(c1ccco1)N1CCO[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000096248739 407255456 /nfs/dbraw/zinc/25/54/56/407255456.db2.gz LIYXMRHNFQNOHX-ZBFHGGJFSA-N 1 2 313.357 1.400 40 0 DDABLO c1c[nH+]c(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)[nH]1 ZINC000096296189 407258904 /nfs/dbraw/zinc/25/89/04/407258904.db2.gz LIDPKNNXFMMBRU-AWEZNQCLSA-N 1 2 310.361 1.768 40 0 biogenic,in-vitro DDABLO CC(=O)N1CCOC[C@@]2(C[N@H+](Cc3ccsc3)CCO2)C1 ZINC000096049902 407228559 /nfs/dbraw/zinc/22/85/59/407228559.db2.gz QFUFLNJKMPOILF-OAHLLOKOSA-N 1 2 310.419 1.198 40 0 DDABLO CC(=O)N1CCOC[C@@]2(C[N@@H+](Cc3ccsc3)CCO2)C1 ZINC000096049902 407228560 /nfs/dbraw/zinc/22/85/60/407228560.db2.gz QFUFLNJKMPOILF-OAHLLOKOSA-N 1 2 310.419 1.198 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cs1 ZINC000096184483 407244977 /nfs/dbraw/zinc/24/49/77/407244977.db2.gz NKWGNXHMMWXEDW-NEPJUHHUSA-N 1 2 301.437 1.060 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cs1 ZINC000096184483 407244979 /nfs/dbraw/zinc/24/49/79/407244979.db2.gz NKWGNXHMMWXEDW-NEPJUHHUSA-N 1 2 301.437 1.060 40 0 DDABLO c1cnn(C[C@H]2Cn3ccnc3C[N@H+](Cc3cccnc3)C2)c1 ZINC000096188546 407245257 /nfs/dbraw/zinc/24/52/57/407245257.db2.gz YLTQSVCAQRBLOI-MRXNPFEDSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@H]2Cn3ccnc3C[N@@H+](Cc3cccnc3)C2)c1 ZINC000096188546 407245259 /nfs/dbraw/zinc/24/52/59/407245259.db2.gz YLTQSVCAQRBLOI-MRXNPFEDSA-N 1 2 308.389 1.807 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)cn1 ZINC000096197766 407247761 /nfs/dbraw/zinc/24/77/61/407247761.db2.gz CMHKHRBJFJVTDM-MRXNPFEDSA-N 1 2 315.421 1.680 40 0 DDABLO Cn1cc(C[N@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)cn1 ZINC000096197766 407247763 /nfs/dbraw/zinc/24/77/63/407247763.db2.gz CMHKHRBJFJVTDM-MRXNPFEDSA-N 1 2 315.421 1.680 40 0 DDABLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1O ZINC000257229635 407506090 /nfs/dbraw/zinc/50/60/90/407506090.db2.gz FYWFSXCVZOETGY-CHWSQXEVSA-N 1 2 313.195 1.130 40 0 DDABLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1O ZINC000257229635 407506095 /nfs/dbraw/zinc/50/60/95/407506095.db2.gz FYWFSXCVZOETGY-CHWSQXEVSA-N 1 2 313.195 1.130 40 0 DDABLO Cc1cc2nc([C@H]3CCCCN3C(=O)Cn3cc[nH+]c3)ccn2n1 ZINC000257246766 407518517 /nfs/dbraw/zinc/51/85/17/407518517.db2.gz IVTKXVSOKVRIFV-OAHLLOKOSA-N 1 2 324.388 1.988 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2[nH+]c(C)cn2C)n1 ZINC000257255050 407521426 /nfs/dbraw/zinc/52/14/26/407521426.db2.gz KFWOHQBNEDZSJE-AWEZNQCLSA-N 1 2 301.394 1.906 40 0 DDABLO Cc1cc(N(C)C)nc([C@H]2COCCN2Cc2[nH+]ccn2C)n1 ZINC000257291977 407533917 /nfs/dbraw/zinc/53/39/17/407533917.db2.gz QJMAHYLURYPLNT-CYBMUJFWSA-N 1 2 316.409 1.158 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1ccc2nc(Cl)oc2c1 ZINC000225975369 407612954 /nfs/dbraw/zinc/61/29/54/407612954.db2.gz FAXJAKXWTNANST-UHFFFAOYSA-N 1 2 309.753 1.543 40 0 DDABLO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000072385015 277262506 /nfs/dbraw/zinc/26/25/06/277262506.db2.gz NPTOTDJPFYFFBY-JTQLQIEISA-N 1 2 317.414 1.536 40 0 DDABLO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000072385015 277262507 /nfs/dbraw/zinc/26/25/07/277262507.db2.gz NPTOTDJPFYFFBY-JTQLQIEISA-N 1 2 317.414 1.536 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C)nc2C)[nH+]1 ZINC000257306229 301025119 /nfs/dbraw/zinc/02/51/19/301025119.db2.gz STJQXJXTQMAWAF-CYBMUJFWSA-N 1 2 301.350 1.339 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc(C)on1)[C@H]2C ZINC000585097367 354805467 /nfs/dbraw/zinc/80/54/67/354805467.db2.gz JOYCXMRXQSCJLK-NSHDSACASA-N 1 2 304.350 1.585 40 0 DDABLO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cc[nH]n2)C1 ZINC000585269021 354818574 /nfs/dbraw/zinc/81/85/74/354818574.db2.gz HWDHNLGOLURQBU-MRXNPFEDSA-N 1 2 321.352 1.191 40 0 DDABLO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585269021 354818575 /nfs/dbraw/zinc/81/85/75/354818575.db2.gz HWDHNLGOLURQBU-MRXNPFEDSA-N 1 2 321.352 1.191 40 0 DDABLO Cc1cc(N2CCO[C@@](CO)(Cc3ccccc3C)C2)nc[nH+]1 ZINC000585277941 354821666 /nfs/dbraw/zinc/82/16/66/354821666.db2.gz ZBCDKBFYYQLZAY-SFHVURJKSA-N 1 2 313.401 1.904 40 0 DDABLO CNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000010157649 283699791 /nfs/dbraw/zinc/69/97/91/283699791.db2.gz BYLAXMYSJLPOSV-UHFFFAOYSA-N 1 2 303.410 1.425 40 0 DDABLO Cc1ncsc1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257273913 203001503 /nfs/dbraw/zinc/00/15/03/203001503.db2.gz NITJEPQCLCWYLO-CYBMUJFWSA-N 1 2 320.418 1.781 40 0 DDABLO Cc1ncsc1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257273913 203001507 /nfs/dbraw/zinc/00/15/07/203001507.db2.gz NITJEPQCLCWYLO-CYBMUJFWSA-N 1 2 320.418 1.781 40 0 DDABLO CNc1cc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc[nH+]1 ZINC000257275842 203003432 /nfs/dbraw/zinc/00/34/32/203003432.db2.gz NREHYDUGOCRNBB-AWEZNQCLSA-N 1 2 316.405 1.452 40 0 DDABLO Cc1cc(NC2CC3(C2)CCN(C(=O)c2ccncn2)C3)nc[nH+]1 ZINC000257292421 203017022 /nfs/dbraw/zinc/01/70/22/203017022.db2.gz QLIYWLGMNMUCNG-UHFFFAOYSA-N 1 2 324.388 1.682 40 0 DDABLO Cc1ncoc1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257294924 203019024 /nfs/dbraw/zinc/01/90/24/203019024.db2.gz QWHOEIKHSCADNZ-INIZCTEOSA-N 1 2 316.361 1.091 40 0 DDABLO COc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCN2C(C)=O)cc1 ZINC000257311777 203037011 /nfs/dbraw/zinc/03/70/11/203037011.db2.gz UKYFLBOURRHXML-INIZCTEOSA-N 1 2 314.389 1.824 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257313483 203038066 /nfs/dbraw/zinc/03/80/66/203038066.db2.gz USROQQIXSKRPOA-UHFFFAOYSA-N 1 2 312.377 1.166 40 0 DDABLO CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1cccn1C ZINC000257341369 203061917 /nfs/dbraw/zinc/06/19/17/203061917.db2.gz ZKAOXENIYGTTDC-QGZVFWFLSA-N 1 2 314.389 1.134 40 0 DDABLO COC(=O)[C@@H]1C[C@H](Oc2cccc(OC(F)(F)F)c2)C[NH2+]1 ZINC000039954691 183024408 /nfs/dbraw/zinc/02/44/08/183024408.db2.gz BJIPAYYOKFYVGH-QWRGUYRKSA-N 1 2 305.252 1.868 40 0 DDABLO c1cc(C[N@H+]2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccn1 ZINC000503731155 257201543 /nfs/dbraw/zinc/20/15/43/257201543.db2.gz WJZCSFWLMAHCAB-CVEARBPZSA-N 1 2 311.389 1.209 40 0 DDABLO CO[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@]12CCCO2 ZINC000257257032 286070222 /nfs/dbraw/zinc/07/02/22/286070222.db2.gz KNVOABWSEWYQFH-HOCLYGCPSA-N 1 2 307.394 1.460 40 0 DDABLO Nc1nc(N)c(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000001611387 406676071 /nfs/dbraw/zinc/67/60/71/406676071.db2.gz CBUZCTGYNYPFSE-UHFFFAOYSA-N 1 2 318.812 1.617 40 0 DDABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(N)=O)C2)on1 ZINC000012154613 406837383 /nfs/dbraw/zinc/83/73/83/406837383.db2.gz YKHQANWMPIMQGE-GFCCVEGCSA-N 1 2 315.377 1.413 40 0 DDABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)on1 ZINC000012154613 406837386 /nfs/dbraw/zinc/83/73/86/406837386.db2.gz YKHQANWMPIMQGE-GFCCVEGCSA-N 1 2 315.377 1.413 40 0 DDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCC1)CC2 ZINC000019706405 406885802 /nfs/dbraw/zinc/88/58/02/406885802.db2.gz XZTQPBYKDIWUBI-CQSZACIVSA-N 1 2 317.437 1.620 40 0 DDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)C1CCCC1)CC2 ZINC000019706405 406885805 /nfs/dbraw/zinc/88/58/05/406885805.db2.gz XZTQPBYKDIWUBI-CQSZACIVSA-N 1 2 317.437 1.620 40 0 DDABLO C[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000035552373 406973398 /nfs/dbraw/zinc/97/33/98/406973398.db2.gz LVZHIYHRQKAMFI-UHFFFAOYSA-N 1 2 310.206 1.325 40 0 DDABLO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096218617 407251523 /nfs/dbraw/zinc/25/15/23/407251523.db2.gz KJCNOXBMCTUOCD-QJPTWQEYSA-N 1 2 306.391 1.667 40 0 DDABLO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4nccs4)C[C@H]3O2)n1 ZINC000096218617 407251526 /nfs/dbraw/zinc/25/15/26/407251526.db2.gz KJCNOXBMCTUOCD-QJPTWQEYSA-N 1 2 306.391 1.667 40 0 DDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccoc2)CCO3)o1 ZINC000096049190 407227387 /nfs/dbraw/zinc/22/73/87/407227387.db2.gz CFMAUODRGCGEEG-MRXNPFEDSA-N 1 2 318.377 1.842 40 0 DDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccoc2)CCO3)o1 ZINC000096049190 407227389 /nfs/dbraw/zinc/22/73/89/407227389.db2.gz CFMAUODRGCGEEG-MRXNPFEDSA-N 1 2 318.377 1.842 40 0 DDABLO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC000096080513 407235473 /nfs/dbraw/zinc/23/54/73/407235473.db2.gz RDHSLNLAUJOYIN-DZGCQCFKSA-N 1 2 322.380 1.513 40 0 DDABLO COCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(F)c3)[C@@H]2C1 ZINC000096080513 407235476 /nfs/dbraw/zinc/23/54/76/407235476.db2.gz RDHSLNLAUJOYIN-DZGCQCFKSA-N 1 2 322.380 1.513 40 0 DDABLO COCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096200812 407248295 /nfs/dbraw/zinc/24/82/95/407248295.db2.gz GUHRCOKTCVSQAC-SJORKVTESA-N 1 2 318.417 1.177 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000107263330 407371655 /nfs/dbraw/zinc/37/16/55/407371655.db2.gz WYAGUELZWJKOTL-UMVBOHGHSA-N 1 2 307.394 1.405 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000107263330 407371657 /nfs/dbraw/zinc/37/16/57/407371657.db2.gz WYAGUELZWJKOTL-UMVBOHGHSA-N 1 2 307.394 1.405 40 0 DDABLO COCCC(=O)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc(OC)c(F)c2)C1 ZINC000107798225 407379940 /nfs/dbraw/zinc/37/99/40/407379940.db2.gz RDHSLNLAUJOYIN-HIFRSBDPSA-N 1 2 322.380 1.513 40 0 DDABLO COCCC(=O)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc(OC)c(F)c2)C1 ZINC000107798225 407379942 /nfs/dbraw/zinc/37/99/42/407379942.db2.gz RDHSLNLAUJOYIN-HIFRSBDPSA-N 1 2 322.380 1.513 40 0 DDABLO COc1ccc([C@H]2CN(CC(=O)N3CCCC3)CC[N@@H+]2C)cc1 ZINC000257230665 407506428 /nfs/dbraw/zinc/50/64/28/407506428.db2.gz GDIHYNXZTDMOAG-QGZVFWFLSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccc([C@H]2CN(CC(=O)N3CCCC3)CC[N@H+]2C)cc1 ZINC000257230665 407506433 /nfs/dbraw/zinc/50/64/33/407506433.db2.gz GDIHYNXZTDMOAG-QGZVFWFLSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccc([C@H]2C[N@H+](CC(=O)N3CCCC3)CCN2C)cc1 ZINC000257230665 407506437 /nfs/dbraw/zinc/50/64/37/407506437.db2.gz GDIHYNXZTDMOAG-QGZVFWFLSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccc([C@H]2C[N@@H+](CC(=O)N3CCCC3)CCN2C)cc1 ZINC000257230665 407506440 /nfs/dbraw/zinc/50/64/40/407506440.db2.gz GDIHYNXZTDMOAG-QGZVFWFLSA-N 1 2 317.433 1.606 40 0 DDABLO O=C(c1cncs1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257241523 407514480 /nfs/dbraw/zinc/51/44/80/407514480.db2.gz HYIDQGWLJFBEDQ-NXEZZACHSA-N 1 2 317.361 1.060 40 0 DDABLO CCc1cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)on1 ZINC000257334101 407534991 /nfs/dbraw/zinc/53/49/91/407534991.db2.gz YEODUVPPPMBNID-STQMWFEESA-N 1 2 304.350 1.272 40 0 DDABLO COC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2c[nH+]cn21 ZINC000247910923 408516921 /nfs/dbraw/zinc/51/69/21/408516921.db2.gz YJUCTKHIRSLBMT-GFCCVEGCSA-N 1 2 302.334 1.592 40 0 DDABLO O=C1CCCN1CC[C@H]1CCOC12C[NH+](Cc1ccncc1)C2 ZINC000248010991 408523875 /nfs/dbraw/zinc/52/38/75/408523875.db2.gz VOZHRRUZNSAFDU-INIZCTEOSA-N 1 2 315.417 1.685 40 0 DDABLO C[C@H](CO)Nc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329062388 410079015 /nfs/dbraw/zinc/07/90/15/410079015.db2.gz WXHZBRABCMMFTH-SNVBAGLBSA-N 1 2 302.353 1.873 40 0 DDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccc(C)n2)C1 ZINC000096059096 292938762 /nfs/dbraw/zinc/93/87/62/292938762.db2.gz VCAJXGAKRVOCQA-CYBMUJFWSA-N 1 2 300.362 1.505 40 0 DDABLO CC(=O)N1CC[N@H+](CCO)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072367769 191137234 /nfs/dbraw/zinc/13/72/34/191137234.db2.gz XQFQHIRKGUSSOY-CQSZACIVSA-N 1 2 316.323 1.903 40 0 DDABLO CC(=O)N1CC[N@@H+](CCO)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072367769 191137235 /nfs/dbraw/zinc/13/72/35/191137235.db2.gz XQFQHIRKGUSSOY-CQSZACIVSA-N 1 2 316.323 1.903 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(Cc1ccc3c(c1)OCO3)C2 ZINC000585094684 354802947 /nfs/dbraw/zinc/80/29/47/354802947.db2.gz HIPOUBJHSMFVQQ-LBPRGKRZSA-N 1 2 301.346 1.068 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1ccc2c(c1)OCO2 ZINC000585094763 354803523 /nfs/dbraw/zinc/80/35/23/354803523.db2.gz LQIVPPKUEBHXMH-CYBMUJFWSA-N 1 2 315.373 1.722 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1ccnn1C)[C@@H]2C ZINC000585098290 354805909 /nfs/dbraw/zinc/80/59/09/354805909.db2.gz TUGPXQFLWBLUJN-GFCCVEGCSA-N 1 2 317.393 1.413 40 0 DDABLO Cc1nc(C(=O)NCC[C@@H]2C[N@@H+](C)Cc3ccnn32)cs1 ZINC000585112955 354810294 /nfs/dbraw/zinc/81/02/94/354810294.db2.gz ZNIQFOQFVPSBHS-LLVKDONJSA-N 1 2 305.407 1.455 40 0 DDABLO Cc1nc(C(=O)NCC[C@@H]2C[N@H+](C)Cc3ccnn32)cs1 ZINC000585112955 354810297 /nfs/dbraw/zinc/81/02/97/354810297.db2.gz ZNIQFOQFVPSBHS-LLVKDONJSA-N 1 2 305.407 1.455 40 0 DDABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3cnn(C)c3C)C2)[nH+]1 ZINC000257310859 203033485 /nfs/dbraw/zinc/03/34/85/203033485.db2.gz UGYLPTTXTSTAIR-AWEZNQCLSA-N 1 2 301.394 1.709 40 0 DDABLO CC(=O)N[C@H]1CCOC2(CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000257292907 203018012 /nfs/dbraw/zinc/01/80/12/203018012.db2.gz QNLGXTIIAURKFY-AWEZNQCLSA-N 1 2 304.394 1.439 40 0 DDABLO CCc1cc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257326794 203051553 /nfs/dbraw/zinc/05/15/53/203051553.db2.gz WYPAXOIQGYKTSQ-INIZCTEOSA-N 1 2 316.361 1.003 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000257344667 203067233 /nfs/dbraw/zinc/06/72/33/203067233.db2.gz ZYFIRFPBQYOJFJ-AWEZNQCLSA-N 1 2 303.337 2.000 40 0 DDABLO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000023230540 406891448 /nfs/dbraw/zinc/89/14/48/406891448.db2.gz FEIBIKYPLZOHHB-OAHLLOKOSA-N 1 2 322.405 1.509 40 0 DDABLO Cn1cc(C[N@@H+]2CCn3c(CO)nnc3C2)c2cc(F)ccc21 ZINC000012328484 406842440 /nfs/dbraw/zinc/84/24/40/406842440.db2.gz SZUIKNNKSFVTLO-UHFFFAOYSA-N 1 2 315.352 1.417 40 0 DDABLO Cn1cc(C[N@H+]2CCn3c(CO)nnc3C2)c2cc(F)ccc21 ZINC000012328484 406842443 /nfs/dbraw/zinc/84/24/43/406842443.db2.gz SZUIKNNKSFVTLO-UHFFFAOYSA-N 1 2 315.352 1.417 40 0 DDABLO COC[C@H]1CN(C(=O)COc2ccccc2)Cc2[nH+]cn(C)c21 ZINC000096044775 407226245 /nfs/dbraw/zinc/22/62/45/407226245.db2.gz KEBWXFOLCKMLSW-CYBMUJFWSA-N 1 2 315.373 1.571 40 0 DDABLO Cn1cc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)cn1 ZINC000096060707 407231679 /nfs/dbraw/zinc/23/16/79/407231679.db2.gz XJUYZJBUKDNVGC-CQSZACIVSA-N 1 2 316.409 1.075 40 0 DDABLO Cn1cc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)cn1 ZINC000096060707 407231680 /nfs/dbraw/zinc/23/16/80/407231680.db2.gz XJUYZJBUKDNVGC-CQSZACIVSA-N 1 2 316.409 1.075 40 0 DDABLO COCCN1CCN(C(=O)c2ccncc2)Cc2ccc[nH+]c21 ZINC000096060933 407232243 /nfs/dbraw/zinc/23/22/43/407232243.db2.gz ALMSEIXJHWVGBW-UHFFFAOYSA-N 1 2 312.373 1.585 40 0 DDABLO O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096072657 407235332 /nfs/dbraw/zinc/23/53/32/407235332.db2.gz GLGDVZQIQRDVMO-WFASDCNBSA-N 1 2 323.418 1.219 40 0 DDABLO O=C(c1cccnc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096087572 407236140 /nfs/dbraw/zinc/23/61/40/407236140.db2.gz AVUMLQGDTXUZMT-UHFFFAOYSA-N 1 2 308.345 1.179 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)CCN(C(=O)c2ccoc2)C3)cn1 ZINC000096202706 407249417 /nfs/dbraw/zinc/24/94/17/407249417.db2.gz JFGJZTLLEHMQON-UHFFFAOYSA-N 1 2 300.362 1.361 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2C[C@H](COCc2ccccn2)C1 ZINC000096207717 407249859 /nfs/dbraw/zinc/24/98/59/407249859.db2.gz YAHIAOLTVFTPJR-CQSZACIVSA-N 1 2 300.362 1.473 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000107251762 407371683 /nfs/dbraw/zinc/37/16/83/407371683.db2.gz CVDLXQXSIRWEIK-LSDHHAIUSA-N 1 2 311.389 1.191 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000107251762 407371684 /nfs/dbraw/zinc/37/16/84/407371684.db2.gz CVDLXQXSIRWEIK-LSDHHAIUSA-N 1 2 311.389 1.191 40 0 DDABLO Cn1cc[nH+]c1CN1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000107251762 407371686 /nfs/dbraw/zinc/37/16/86/407371686.db2.gz CVDLXQXSIRWEIK-LSDHHAIUSA-N 1 2 311.389 1.191 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCO[C@H](c2cnccn2)C1 ZINC000257208720 407496810 /nfs/dbraw/zinc/49/68/10/407496810.db2.gz BNJNBOCGZKTQQK-AWEZNQCLSA-N 1 2 301.350 1.053 40 0 DDABLO C[N@@H+]1CCN(C(=O)C(C)(C)n2cncn2)C[C@@H]1c1ccccc1 ZINC000257208802 407497815 /nfs/dbraw/zinc/49/78/15/407497815.db2.gz BNQJMZMRHGAANR-OAHLLOKOSA-N 1 2 313.405 1.529 40 0 DDABLO C[N@H+]1CCN(C(=O)C(C)(C)n2cncn2)C[C@@H]1c1ccccc1 ZINC000257208802 407497821 /nfs/dbraw/zinc/49/78/21/407497821.db2.gz BNQJMZMRHGAANR-OAHLLOKOSA-N 1 2 313.405 1.529 40 0 DDABLO Cn1c(Cl)nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc21 ZINC000225987917 407613456 /nfs/dbraw/zinc/61/34/56/407613456.db2.gz RTOKGBISPVTHFC-UHFFFAOYSA-N 1 2 322.796 1.289 40 0 DDABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 ZINC000072322067 191122371 /nfs/dbraw/zinc/12/23/71/191122371.db2.gz VDOSBLWQTXFPQO-HNNXBMFYSA-N 1 2 324.388 1.779 40 0 biogenic,in-vitro DDABLO CN(C)S(=O)(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378770 191140680 /nfs/dbraw/zinc/14/06/80/191140680.db2.gz KISHQLVPXSGSKN-CYBMUJFWSA-N 1 2 321.406 1.211 40 0 DDABLO Cc1nc(N2CCO[C@](C)(C(=O)NC3CCCC3)C2)cc[nH+]1 ZINC000072379714 191142976 /nfs/dbraw/zinc/14/29/76/191142976.db2.gz KEUAFZDUCQAYEC-INIZCTEOSA-N 1 2 304.394 1.439 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000072388717 191148465 /nfs/dbraw/zinc/14/84/65/191148465.db2.gz HEYZYXOEKAEIBR-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072388717 191148468 /nfs/dbraw/zinc/14/84/68/191148468.db2.gz HEYZYXOEKAEIBR-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072388717 191148471 /nfs/dbraw/zinc/14/84/71/191148471.db2.gz HEYZYXOEKAEIBR-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000008041076 352130166 /nfs/dbraw/zinc/13/01/66/352130166.db2.gz ZOKXUVARCGJVOU-MRXNPFEDSA-N 1 2 306.406 1.601 40 0 DDABLO CC(C)CN1CCN(C(=O)c2ncn(C)n2)Cc2ccc[nH+]c21 ZINC000585113243 354810204 /nfs/dbraw/zinc/81/02/04/354810204.db2.gz SPXMCFDXXWBPMV-UHFFFAOYSA-N 1 2 314.393 1.329 40 0 DDABLO O[C@@]1(COc2ccccc2)COCC[N@H+](Cc2cncnc2)C1 ZINC000585269056 354818513 /nfs/dbraw/zinc/81/85/13/354818513.db2.gz JCZBRNISTIKOIZ-QGZVFWFLSA-N 1 2 315.373 1.119 40 0 DDABLO O[C@@]1(COc2ccccc2)COCC[N@@H+](Cc2cncnc2)C1 ZINC000585269056 354818515 /nfs/dbraw/zinc/81/85/15/354818515.db2.gz JCZBRNISTIKOIZ-QGZVFWFLSA-N 1 2 315.373 1.119 40 0 DDABLO Cc1nc(N2CC[C@@](O)(COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000585274336 354818535 /nfs/dbraw/zinc/81/85/35/354818535.db2.gz JFJDMZBWODRIPQ-INIZCTEOSA-N 1 2 303.337 1.944 40 0 DDABLO CCCCC[C@]1(O)CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000585292102 354826526 /nfs/dbraw/zinc/82/65/26/354826526.db2.gz XGVHEVWHRWFQMA-NCVJHSOJSA-N 1 2 307.394 1.328 40 0 DDABLO Cc1[nH]ncc1C[N@@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294036 354826652 /nfs/dbraw/zinc/82/66/52/354826652.db2.gz DAENUSKYPZNGDF-BRWVUGGUSA-N 1 2 301.390 1.348 40 0 DDABLO Cc1[nH]ncc1C[N@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294036 354826655 /nfs/dbraw/zinc/82/66/55/354826655.db2.gz DAENUSKYPZNGDF-BRWVUGGUSA-N 1 2 301.390 1.348 40 0 DDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)[nH+]1 ZINC000257319718 203042694 /nfs/dbraw/zinc/04/26/94/203042694.db2.gz VTUDQFQJFRTJMY-CYBMUJFWSA-N 1 2 324.388 1.869 40 0 DDABLO Cc1nc(N2CCO[C@@H](c3nccnc3N(C)C)C2)cc[nH+]1 ZINC000257321797 203044846 /nfs/dbraw/zinc/04/48/46/203044846.db2.gz WDHBCWKTHDACCI-GFCCVEGCSA-N 1 2 300.366 1.219 40 0 DDABLO Cc1nc(SCC(=O)N2CC[NH+](C)CC2)nc2ccccc12 ZINC000019596986 182132759 /nfs/dbraw/zinc/13/27/59/182132759.db2.gz WVBGBMRRLBTEBB-UHFFFAOYSA-N 1 2 316.430 1.804 40 0 DDABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000020486584 182223185 /nfs/dbraw/zinc/22/31/85/182223185.db2.gz XXTDCWHJNPHUSC-LBPRGKRZSA-N 1 2 324.446 1.958 40 0 DDABLO COc1ccc(OC)c(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000022251088 182315946 /nfs/dbraw/zinc/31/59/46/182315946.db2.gz QWQCBPIAUVTUCJ-UHFFFAOYSA-N 1 2 303.362 1.649 40 0 DDABLO CCOc1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000026505259 406904919 /nfs/dbraw/zinc/90/49/19/406904919.db2.gz XYOVHLOQDKPFIP-RYUDHWBXSA-N 1 2 312.416 1.739 40 0 DDABLO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4cnc[nH]4)C[C@H]23)cn1 ZINC000096220387 407253332 /nfs/dbraw/zinc/25/33/32/407253332.db2.gz BQXJBHZXMGMTCW-IAOVAPTHSA-N 1 2 314.389 1.639 40 0 DDABLO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4cnc[nH]4)C[C@H]23)cn1 ZINC000096220387 407253334 /nfs/dbraw/zinc/25/33/34/407253334.db2.gz BQXJBHZXMGMTCW-IAOVAPTHSA-N 1 2 314.389 1.639 40 0 DDABLO O=C([C@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096041143 407225446 /nfs/dbraw/zinc/22/54/46/407225446.db2.gz FPCFDPQLGSQKAQ-MELADBBJSA-N 1 2 321.446 1.602 40 0 DDABLO O=C([C@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096041143 407225447 /nfs/dbraw/zinc/22/54/47/407225447.db2.gz FPCFDPQLGSQKAQ-MELADBBJSA-N 1 2 321.446 1.602 40 0 DDABLO O=C(NCC1CC1)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043145 407226598 /nfs/dbraw/zinc/22/65/98/407226598.db2.gz DWNQGTTXCGSURF-MJBXVCDLSA-N 1 2 321.446 1.649 40 0 DDABLO O=C(NCC1CC1)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043145 407226600 /nfs/dbraw/zinc/22/66/00/407226600.db2.gz DWNQGTTXCGSURF-MJBXVCDLSA-N 1 2 321.446 1.649 40 0 DDABLO c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@@H]2CCCO2)nc1 ZINC000096054346 407230089 /nfs/dbraw/zinc/23/00/89/407230089.db2.gz AWSNCMOQEFYRPS-BBWFWOEESA-N 1 2 303.406 1.146 40 0 DDABLO c1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@@H]2CCCO2)nc1 ZINC000096054346 407230091 /nfs/dbraw/zinc/23/00/91/407230091.db2.gz AWSNCMOQEFYRPS-BBWFWOEESA-N 1 2 303.406 1.146 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccncc1 ZINC000096062102 407231713 /nfs/dbraw/zinc/23/17/13/407231713.db2.gz ANLLROVNCJFZHZ-GFCCVEGCSA-N 1 2 323.360 1.135 40 0 DDABLO c1cnn(C[C@H]2Cn3ccnc3C[N@H+](Cc3ccncc3)C2)c1 ZINC000096188549 407245873 /nfs/dbraw/zinc/24/58/73/407245873.db2.gz ROLAIHQOAFONEE-MRXNPFEDSA-N 1 2 308.389 1.807 40 0 DDABLO c1cnn(C[C@H]2Cn3ccnc3C[N@@H+](Cc3ccncc3)C2)c1 ZINC000096188549 407245875 /nfs/dbraw/zinc/24/58/75/407245875.db2.gz ROLAIHQOAFONEE-MRXNPFEDSA-N 1 2 308.389 1.807 40 0 DDABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)nc(=O)[nH]2)cc[nH+]1 ZINC000257218574 407498843 /nfs/dbraw/zinc/49/88/43/407498843.db2.gz DDPMUCGCFWHMLN-ZDUSSCGKSA-N 1 2 313.361 1.905 40 0 DDABLO COc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000247815340 408510793 /nfs/dbraw/zinc/51/07/93/408510793.db2.gz AVNGUVMGEZYYBG-CVEARBPZSA-N 1 2 324.384 1.865 40 0 DDABLO COc1ncccc1C[N@H+]1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000247815340 408510799 /nfs/dbraw/zinc/51/07/99/408510799.db2.gz AVNGUVMGEZYYBG-CVEARBPZSA-N 1 2 324.384 1.865 40 0 DDABLO CCOc1ccc([C@@H]([NH3+])c2nc(COC)n[nH]2)cc1OCC ZINC000095534559 185379509 /nfs/dbraw/zinc/37/95/09/185379509.db2.gz KRQFNWHWIYKQHS-CQSZACIVSA-N 1 2 306.366 1.797 40 0 DDABLO Cn1ccnc1CN1CCO[C@@H]2[C@H](Cn3cc[nH+]c3)CC[C@@H]21 ZINC000306132841 231087929 /nfs/dbraw/zinc/08/79/29/231087929.db2.gz LTZMMCAFHJEVIP-OFQRWUPVSA-N 1 2 301.394 1.296 40 0 DDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccc(F)cc1 ZINC000585094969 354804038 /nfs/dbraw/zinc/80/40/38/354804038.db2.gz XPQLROXFPRYYFE-AWEZNQCLSA-N 1 2 317.364 1.702 40 0 DDABLO Cn1c[nH+]c(CN2CCO[C@](CO)(Cc3ccccc3F)C2)c1 ZINC000585275293 354819698 /nfs/dbraw/zinc/81/96/98/354819698.db2.gz CKOBJXQAYQTKGQ-QGZVFWFLSA-N 1 2 319.380 1.365 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@](CO)(Cc2ccccc2F)C1 ZINC000585275666 354819770 /nfs/dbraw/zinc/81/97/70/354819770.db2.gz HTUGMWFFRVZNKH-QGZVFWFLSA-N 1 2 319.380 1.663 40 0 DDABLO c1cnc([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257270555 203000532 /nfs/dbraw/zinc/00/05/32/203000532.db2.gz MURZCHJFQQCZLQ-QGZVFWFLSA-N 1 2 313.357 1.821 40 0 DDABLO c1cnc([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)cn1 ZINC000257270555 203000536 /nfs/dbraw/zinc/00/05/36/203000536.db2.gz MURZCHJFQQCZLQ-QGZVFWFLSA-N 1 2 313.357 1.821 40 0 DDABLO COc1cccc(CC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257306766 203032837 /nfs/dbraw/zinc/03/28/37/203032837.db2.gz SVUHTIHWWGWMDI-HNNXBMFYSA-N 1 2 315.373 1.869 40 0 DDABLO CNc1cccc([C@H]2C[N@H+](Cc3cnn(C)c3C)CCO2)n1 ZINC000257313346 203037461 /nfs/dbraw/zinc/03/74/61/203037461.db2.gz URZKRWSFVACYFV-OAHLLOKOSA-N 1 2 301.394 1.739 40 0 DDABLO CNc1cccc([C@H]2C[N@@H+](Cc3cnn(C)c3C)CCO2)n1 ZINC000257313346 203037463 /nfs/dbraw/zinc/03/74/63/203037463.db2.gz URZKRWSFVACYFV-OAHLLOKOSA-N 1 2 301.394 1.739 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257314072 203038364 /nfs/dbraw/zinc/03/83/64/203038364.db2.gz UVERBMOBLLSTEL-NSHDSACASA-N 1 2 307.785 1.595 40 0 DDABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)[nH+]1 ZINC000257319719 203042944 /nfs/dbraw/zinc/04/29/44/203042944.db2.gz VTUDQFQJFRTJMY-ZDUSSCGKSA-N 1 2 324.388 1.869 40 0 DDABLO COC[C@@H]1CN(Cc2cccnc2OC)Cc2[nH+]cn(C)c21 ZINC000096068370 193518752 /nfs/dbraw/zinc/51/87/52/193518752.db2.gz VGTYMWFHKXDKQE-ZDUSSCGKSA-N 1 2 302.378 1.570 40 0 DDABLO Cc1nc(N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)cc[nH+]1 ZINC000257259711 256620392 /nfs/dbraw/zinc/62/03/92/256620392.db2.gz KZQBGJBXLYQRPM-CYBMUJFWSA-N 1 2 301.350 1.119 40 0 DDABLO CC(=O)NC1(c2ccccc2F)CC[NH+](CC(=O)N(C)C)CC1 ZINC000072341583 406881233 /nfs/dbraw/zinc/88/12/33/406881233.db2.gz XHNFEWOWULNZLN-UHFFFAOYSA-N 1 2 321.396 1.341 40 0 DDABLO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000030862653 406935385 /nfs/dbraw/zinc/93/53/85/406935385.db2.gz QTFUDZWSHBHUJM-KRWDZBQOSA-N 1 2 320.433 1.909 40 0 DDABLO CCOC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000040448885 407002950 /nfs/dbraw/zinc/00/29/50/407002950.db2.gz AIKMHBGFMRDTMI-LBPRGKRZSA-N 1 2 300.399 1.881 40 0 DDABLO CCOC(=O)[C@H](C)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000040448885 407002951 /nfs/dbraw/zinc/00/29/51/407002951.db2.gz AIKMHBGFMRDTMI-LBPRGKRZSA-N 1 2 300.399 1.881 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398544 407099666 /nfs/dbraw/zinc/09/96/66/407099666.db2.gz ASTMRLPYJIVQKR-YNEHKIRRSA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398544 407099667 /nfs/dbraw/zinc/09/96/67/407099667.db2.gz ASTMRLPYJIVQKR-YNEHKIRRSA-N 1 2 323.389 1.315 40 0 DDABLO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCO1 ZINC000096246495 407255948 /nfs/dbraw/zinc/25/59/48/407255948.db2.gz GYVGXSCTKJCSOS-ZNMIVQPWSA-N 1 2 322.430 1.452 40 0 DDABLO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCO1 ZINC000096246495 407255949 /nfs/dbraw/zinc/25/59/49/407255949.db2.gz GYVGXSCTKJCSOS-ZNMIVQPWSA-N 1 2 322.430 1.452 40 0 DDABLO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nnn(C)c21 ZINC000096060610 407232247 /nfs/dbraw/zinc/23/22/47/407232247.db2.gz LVKINPYJLRLNRL-CYBMUJFWSA-N 1 2 302.378 1.570 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nnn(C)c21 ZINC000096060610 407232248 /nfs/dbraw/zinc/23/22/48/407232248.db2.gz LVKINPYJLRLNRL-CYBMUJFWSA-N 1 2 302.378 1.570 40 0 DDABLO Cc1csc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)n1 ZINC000096187234 407246106 /nfs/dbraw/zinc/24/61/06/407246106.db2.gz ACSDUXBRGADAKR-JHJVBQTASA-N 1 2 309.435 1.662 40 0 DDABLO Cc1csc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)n1 ZINC000096187234 407246108 /nfs/dbraw/zinc/24/61/08/407246108.db2.gz ACSDUXBRGADAKR-JHJVBQTASA-N 1 2 309.435 1.662 40 0 DDABLO COCCN1CCN(C(=O)c2ccoc2)Cc2ccc[nH+]c21 ZINC000096198856 407247337 /nfs/dbraw/zinc/24/73/37/407247337.db2.gz HRRWREALZFUFTR-UHFFFAOYSA-N 1 2 301.346 1.783 40 0 DDABLO Cc1noc(C)c1CN1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096201135 407248411 /nfs/dbraw/zinc/24/84/11/407248411.db2.gz IFZPNYOFNNJMNN-UHFFFAOYSA-N 1 2 313.365 1.144 40 0 DDABLO COCCC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096207019 407249649 /nfs/dbraw/zinc/24/96/49/407249649.db2.gz OCPXFZSBXHFVKG-AWEZNQCLSA-N 1 2 307.394 1.305 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@@H](COc1ccccn1)C2 ZINC000096207367 407249758 /nfs/dbraw/zinc/24/97/58/407249758.db2.gz FLRWEHHALNJPFR-CQSZACIVSA-N 1 2 322.372 1.784 40 0 DDABLO C[C@H]1C[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000195539307 407465880 /nfs/dbraw/zinc/46/58/80/407465880.db2.gz MISBPLBNETWOBD-SVGFKBNWSA-N 1 2 315.417 1.690 40 0 DDABLO C[C@H]1C[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000195539307 407465883 /nfs/dbraw/zinc/46/58/83/407465883.db2.gz MISBPLBNETWOBD-SVGFKBNWSA-N 1 2 315.417 1.690 40 0 DDABLO Cc1ccc(N2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)[nH+]c1 ZINC000257204285 407493386 /nfs/dbraw/zinc/49/33/86/407493386.db2.gz ATVHDAOVALTQJX-LLVKDONJSA-N 1 2 306.391 1.511 40 0 DDABLO CCCNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000225450639 407587248 /nfs/dbraw/zinc/58/72/48/407587248.db2.gz HMPRYBCWCQGCAS-UHFFFAOYSA-N 1 2 306.410 1.153 40 0 DDABLO OCCNc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329031801 410060405 /nfs/dbraw/zinc/06/04/05/410060405.db2.gz QLQKDNRZOUVKRP-UHFFFAOYSA-N 1 2 322.368 1.841 40 0 DDABLO CC(=O)Nc1ccccc1SCC(=O)N1CC[NH+](C)CC1 ZINC000409172922 418812401 /nfs/dbraw/zinc/81/24/01/418812401.db2.gz JKEPTWGOVNLNBD-UHFFFAOYSA-N 1 2 307.419 1.511 40 0 DDABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000004226907 295025107 /nfs/dbraw/zinc/02/51/07/295025107.db2.gz AJKOHZLVHPKDEN-ZJUUUORDSA-N 1 2 302.808 1.994 40 0 DDABLO C[C@@H]1CCCN(Cc2nnc(C[N@@H+]3CCC[C@@H](C)C3)n2N)C1 ZINC000225148815 539266003 /nfs/dbraw/zinc/26/60/03/539266003.db2.gz DXUSSIXOLGBBSZ-ZIAGYGMSSA-N 1 2 306.458 1.456 40 0 DDABLO C[C@@H]1CCCN(Cc2nnc(C[N@H+]3CCC[C@@H](C)C3)n2N)C1 ZINC000225148815 539266004 /nfs/dbraw/zinc/26/60/04/539266004.db2.gz DXUSSIXOLGBBSZ-ZIAGYGMSSA-N 1 2 306.458 1.456 40 0 DDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585289371 354825153 /nfs/dbraw/zinc/82/51/53/354825153.db2.gz QIMZXNJLSQIWOV-TYGQBZDHSA-N 1 2 311.385 1.875 40 0 DDABLO Cc1cc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)ccn1 ZINC000257237348 202971956 /nfs/dbraw/zinc/97/19/56/202971956.db2.gz HGBNVWTTXMATLL-INIZCTEOSA-N 1 2 314.389 1.967 40 0 DDABLO O=C(N[C@@H]1C[C@H]2Oc3ccc[nH+]c3N[C@H]2[C@@H]1O)c1ccccc1 ZINC000257290133 203015730 /nfs/dbraw/zinc/01/57/30/203015730.db2.gz QBSIFHQAZYOWIP-NMFUWQPSSA-N 1 2 311.341 1.186 40 0 DDABLO COCC(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257311451 203037469 /nfs/dbraw/zinc/03/74/69/203037469.db2.gz UJNIWKINSHICGI-MRXNPFEDSA-N 1 2 319.405 1.224 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2c(C)nn(C)c2C)CCO1 ZINC000257324566 203048733 /nfs/dbraw/zinc/04/87/33/203048733.db2.gz WPHFCFWCGVQHHC-AWEZNQCLSA-N 1 2 316.409 1.442 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2C)CCO1 ZINC000257324566 203048735 /nfs/dbraw/zinc/04/87/35/203048735.db2.gz WPHFCFWCGVQHHC-AWEZNQCLSA-N 1 2 316.409 1.442 40 0 DDABLO CCOC(=O)[C@H]1c2c([nH+]cn2C)CCN1C(=O)OC(C)(C)C ZINC000230548510 285947422 /nfs/dbraw/zinc/94/74/22/285947422.db2.gz PUFOAZLZNZRRPN-GFCCVEGCSA-N 1 2 309.366 1.818 40 0 DDABLO C[C@H](O)CNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012220733 406838266 /nfs/dbraw/zinc/83/82/66/406838266.db2.gz YYXIPKUBWCHDDG-LBPRGKRZSA-N 1 2 316.405 1.287 40 0 DDABLO O=C(NCC[NH+]1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000014401496 406876368 /nfs/dbraw/zinc/87/63/68/406876368.db2.gz YYOVSAQYGNJXQW-UHFFFAOYSA-N 1 2 317.433 1.739 40 0 DDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccco2)CCO3)o1 ZINC000096049186 407227542 /nfs/dbraw/zinc/22/75/42/407227542.db2.gz NTZLKKKXDFFXJH-MRXNPFEDSA-N 1 2 318.377 1.842 40 0 DDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccco2)CCO3)o1 ZINC000096049186 407227543 /nfs/dbraw/zinc/22/75/43/407227543.db2.gz NTZLKKKXDFFXJH-MRXNPFEDSA-N 1 2 318.377 1.842 40 0 DDABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccccn3)[C@@H]2C1 ZINC000096056694 407230943 /nfs/dbraw/zinc/23/09/43/407230943.db2.gz TXGAZTXUFBEZMZ-NUEKZKHPSA-N 1 2 303.406 1.586 40 0 DDABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccccn3)[C@@H]2C1 ZINC000096056694 407230945 /nfs/dbraw/zinc/23/09/45/407230945.db2.gz TXGAZTXUFBEZMZ-NUEKZKHPSA-N 1 2 303.406 1.586 40 0 DDABLO CC(C)n1nccc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257234372 407510219 /nfs/dbraw/zinc/51/02/19/407510219.db2.gz GTFWRQQDSUXTKI-ZFWWWQNUSA-N 1 2 317.393 1.499 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2scnc2C)CCO1 ZINC000257259727 407523454 /nfs/dbraw/zinc/52/34/54/407523454.db2.gz KZRSKNZYEYKOHC-NSHDSACASA-N 1 2 305.407 1.857 40 0 DDABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2scnc2C)CCO1 ZINC000257259727 407523457 /nfs/dbraw/zinc/52/34/57/407523457.db2.gz KZRSKNZYEYKOHC-NSHDSACASA-N 1 2 305.407 1.857 40 0 DDABLO O=C(C1CC=CC1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000247872981 408514295 /nfs/dbraw/zinc/51/42/95/408514295.db2.gz MOBIENOHEDAOPA-ARFHVFGLSA-N 1 2 313.401 1.933 40 0 DDABLO COc1ccc2c(c1)C[N@H+](C1COC1)CC[C@H]1COC(=O)N21 ZINC000225490935 295260826 /nfs/dbraw/zinc/26/08/26/295260826.db2.gz KAQPVEMAWTUWNW-LBPRGKRZSA-N 1 2 304.346 1.625 40 0 biogenic,in-vitro DDABLO COc1ccc2c(c1)C[N@@H+](C1COC1)CC[C@H]1COC(=O)N21 ZINC000225490935 295260827 /nfs/dbraw/zinc/26/08/27/295260827.db2.gz KAQPVEMAWTUWNW-LBPRGKRZSA-N 1 2 304.346 1.625 40 0 biogenic,in-vitro DDABLO Cc1cc(-n2cc[nH+]c2)nc([C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000072360672 191131964 /nfs/dbraw/zinc/13/19/64/191131964.db2.gz RFTCPCLHNRNKGG-GFCCVEGCSA-N 1 2 321.406 1.457 40 0 DDABLO C[C@@]1(C(N)=O)C[N@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000072379577 191141571 /nfs/dbraw/zinc/14/15/71/191141571.db2.gz CFXOLAZUBHMDLB-ZDUSSCGKSA-N 1 2 302.296 1.782 40 0 DDABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000072379577 191141573 /nfs/dbraw/zinc/14/15/73/191141573.db2.gz CFXOLAZUBHMDLB-ZDUSSCGKSA-N 1 2 302.296 1.782 40 0 DDABLO CCOCC(=O)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111351 354809545 /nfs/dbraw/zinc/80/95/45/354809545.db2.gz PULLAAFGYHNJRX-UHFFFAOYSA-N 1 2 300.362 1.366 40 0 DDABLO Cn1ccc(C[N@@H+]2CC[C@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269108 354818676 /nfs/dbraw/zinc/81/86/76/354818676.db2.gz KCYOCPXZOLGKCS-MRXNPFEDSA-N 1 2 305.353 1.575 40 0 DDABLO Cn1ccc(C[N@H+]2CC[C@](O)(COc3cccc(F)c3)C2)n1 ZINC000585269108 354818677 /nfs/dbraw/zinc/81/86/77/354818677.db2.gz KCYOCPXZOLGKCS-MRXNPFEDSA-N 1 2 305.353 1.575 40 0 DDABLO OC[C@@]1(Cc2cccc(F)c2)C[N@H+](Cc2cnccn2)CCO1 ZINC000585275236 354819613 /nfs/dbraw/zinc/81/96/13/354819613.db2.gz AWCFPUMVXLOWJO-QGZVFWFLSA-N 1 2 317.364 1.422 40 0 DDABLO OC[C@@]1(Cc2cccc(F)c2)C[N@@H+](Cc2cnccn2)CCO1 ZINC000585275236 354819614 /nfs/dbraw/zinc/81/96/14/354819614.db2.gz AWCFPUMVXLOWJO-QGZVFWFLSA-N 1 2 317.364 1.422 40 0 DDABLO COC[C@]1(CC(N)=O)C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000585275993 354820691 /nfs/dbraw/zinc/82/06/91/354820691.db2.gz CSGRXQZUNZGZLA-HNNXBMFYSA-N 1 2 312.797 1.433 40 0 DDABLO COC[C@]1(CC(N)=O)C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000585275993 354820695 /nfs/dbraw/zinc/82/06/95/354820695.db2.gz CSGRXQZUNZGZLA-HNNXBMFYSA-N 1 2 312.797 1.433 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@](CO)(Cc2ccc(C)cc2)C1 ZINC000585278132 354821281 /nfs/dbraw/zinc/82/12/81/354821281.db2.gz ZVYDSBVDVDDYQI-SFHVURJKSA-N 1 2 315.417 1.833 40 0 DDABLO O=S(=O)(C1CC1)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000247349348 202666243 /nfs/dbraw/zinc/66/62/43/202666243.db2.gz VQLLFDBTBGVZFM-ZDUSSCGKSA-N 1 2 311.407 1.159 40 0 DDABLO Cc1nc(C)c(C(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)s1 ZINC000257203233 202940320 /nfs/dbraw/zinc/94/03/20/202940320.db2.gz APDSSQZOQRZWKX-JHJVBQTASA-N 1 2 320.418 1.793 40 0 DDABLO Cc1nn(C)cc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257277224 203005803 /nfs/dbraw/zinc/00/58/03/203005803.db2.gz NWXXIIPXZQIXKP-AWEZNQCLSA-N 1 2 313.405 1.865 40 0 DDABLO CC(=O)N1CCC[N@H+](Cc2cnc([C@H]3CCCCO3)nc2)CC1 ZINC000257299271 203023716 /nfs/dbraw/zinc/02/37/16/203023716.db2.gz RPJKQGUXQVYVSJ-MRXNPFEDSA-N 1 2 318.421 1.772 40 0 DDABLO CC(=O)N1CCC[N@@H+](Cc2cnc([C@H]3CCCCO3)nc2)CC1 ZINC000257299271 203023719 /nfs/dbraw/zinc/02/37/19/203023719.db2.gz RPJKQGUXQVYVSJ-MRXNPFEDSA-N 1 2 318.421 1.772 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3ccnn3C)C2)[nH+]1 ZINC000257308543 203032303 /nfs/dbraw/zinc/03/23/03/203032303.db2.gz TXDOWOWVXDKZNZ-CQSZACIVSA-N 1 2 315.421 1.801 40 0 DDABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@H](c2cc[nH]n2)C1 ZINC000257309045 203033909 /nfs/dbraw/zinc/03/39/09/203033909.db2.gz TZHVANMVXGPCGE-CYBMUJFWSA-N 1 2 309.373 1.924 40 0 DDABLO CCCc1nnsc1C(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257289953 203016091 /nfs/dbraw/zinc/01/60/91/203016091.db2.gz QAWVOSGNTPTLJX-NSHDSACASA-N 1 2 321.406 1.736 40 0 DDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1ccon1 ZINC000257342856 203064610 /nfs/dbraw/zinc/06/46/10/203064610.db2.gz ZQJPSPPMAXTAGK-MRXNPFEDSA-N 1 2 316.361 1.173 40 0 DDABLO Cc1cccc(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)c1C ZINC000020106265 182186771 /nfs/dbraw/zinc/18/67/71/182186771.db2.gz AIUZNXPGKRXAQO-OAHLLOKOSA-N 1 2 306.406 1.519 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257331003 256621794 /nfs/dbraw/zinc/62/17/94/256621794.db2.gz XQZHRFMPFKVJOZ-AWEZNQCLSA-N 1 2 301.394 1.558 40 0 DDABLO Cn1cc[nH+]c1CN1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514290081 257215422 /nfs/dbraw/zinc/21/54/22/257215422.db2.gz RRUFLKLGRJYURQ-HIFRSBDPSA-N 1 2 312.373 1.138 40 0 biogenic,in-vitro DDABLO CCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)CC)CC1 ZINC000001370919 406665810 /nfs/dbraw/zinc/66/58/10/406665810.db2.gz PUGTXQFAVFVOOI-UHFFFAOYSA-N 1 2 322.434 1.528 40 0 DDABLO CCCC(=O)N1CCN(c2ccc([NH3+])cc2-n2cnnc2)CC1 ZINC000070461824 406818877 /nfs/dbraw/zinc/81/88/77/406818877.db2.gz XBMFBLBVGSMBBC-UHFFFAOYSA-N 1 2 314.393 1.298 40 0 DDABLO Cc1csc2nc3n(c(=O)c12)CCN(Cc1c[nH+]c[nH]1)CC3 ZINC000012088366 406834732 /nfs/dbraw/zinc/83/47/32/406834732.db2.gz VXAFGUOEBCFWHD-UHFFFAOYSA-N 1 2 315.402 1.548 40 0 DDABLO Cc1csc2nc3n(c(=O)c12)CCN(Cc1c[nH]c[nH+]1)CC3 ZINC000012088366 406834736 /nfs/dbraw/zinc/83/47/36/406834736.db2.gz VXAFGUOEBCFWHD-UHFFFAOYSA-N 1 2 315.402 1.548 40 0 DDABLO Cc1cccc(S(=O)(=O)N2Cc3nc(C[NH+](C)C)oc3C2)c1 ZINC000096260253 407257900 /nfs/dbraw/zinc/25/79/00/407257900.db2.gz NXQLJFQYDBVMHJ-UHFFFAOYSA-N 1 2 321.402 1.749 40 0 DDABLO COc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H](c3n[nH]c(C)n3)O[C@@H]2C1 ZINC000096045876 407226928 /nfs/dbraw/zinc/22/69/28/407226928.db2.gz YBBGHMUVDWGXEY-MELADBBJSA-N 1 2 315.377 1.479 40 0 DDABLO COc1ncccc1C[N@H+]1C[C@@H]2C[C@@H](c3n[nH]c(C)n3)O[C@@H]2C1 ZINC000096045876 407226929 /nfs/dbraw/zinc/22/69/29/407226929.db2.gz YBBGHMUVDWGXEY-MELADBBJSA-N 1 2 315.377 1.479 40 0 DDABLO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2cccc[nH+]2)O1 ZINC000096064611 407233252 /nfs/dbraw/zinc/23/32/52/407233252.db2.gz AVVIBTLKUKXKLH-KKUMJFAQSA-N 1 2 319.405 1.313 40 0 DDABLO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2COC[C@H]12)C1CCC1 ZINC000096185129 407244599 /nfs/dbraw/zinc/24/45/99/407244599.db2.gz JLUYGXZCTJEMNQ-BZUAXINKSA-N 1 2 301.390 1.197 40 0 DDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H]2COC[C@H]12)C1CCC1 ZINC000096185129 407244602 /nfs/dbraw/zinc/24/46/02/407244602.db2.gz JLUYGXZCTJEMNQ-BZUAXINKSA-N 1 2 301.390 1.197 40 0 DDABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257236356 407509557 /nfs/dbraw/zinc/50/95/57/407509557.db2.gz HBTXKLFYLNOGEF-CQSZACIVSA-N 1 2 324.450 1.643 40 0 DDABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)cc[nH+]1 ZINC000257216729 407500344 /nfs/dbraw/zinc/50/03/44/407500344.db2.gz CVVRRTVJDLGHPP-LBPRGKRZSA-N 1 2 313.361 1.226 40 0 DDABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2S(C)(=O)=O)c1 ZINC000257253496 407521470 /nfs/dbraw/zinc/52/14/70/407521470.db2.gz JZDZYMORXVFVFZ-ZDUSSCGKSA-N 1 2 307.375 1.408 40 0 DDABLO Cn1c(Cl)nc2cc(C(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000225987898 407613689 /nfs/dbraw/zinc/61/36/89/407613689.db2.gz LSDVDRJIXIHDGL-UHFFFAOYSA-N 1 2 322.796 1.289 40 0 DDABLO C[C@@H](CO)Nc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000328967236 410022802 /nfs/dbraw/zinc/02/28/02/410022802.db2.gz CRUVORQYBAQGHE-JTQLQIEISA-N 1 2 302.353 1.873 40 0 DDABLO OCCCNc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329039759 410066944 /nfs/dbraw/zinc/06/69/44/410066944.db2.gz RZTSNEYGCOOTJB-UHFFFAOYSA-N 1 2 302.353 1.875 40 0 DDABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 ZINC000004226908 295024910 /nfs/dbraw/zinc/02/49/10/295024910.db2.gz AJKOHZLVHPKDEN-UWVGGRQHSA-N 1 2 302.808 1.994 40 0 DDABLO CS(=O)(=O)N1CC[C@@H](Cc2cccc(N3CCCC3)[nH+]2)C1 ZINC000072366312 191135762 /nfs/dbraw/zinc/13/57/62/191135762.db2.gz VYHVDVFQGVUGCY-ZDUSSCGKSA-N 1 2 309.435 1.506 40 0 DDABLO COc1cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)cc(OC)c1 ZINC000585097477 354804664 /nfs/dbraw/zinc/80/46/64/354804664.db2.gz MENJMENHEDHTGJ-HNNXBMFYSA-N 1 2 317.389 1.667 40 0 DDABLO COc1cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)cc(OC)c1 ZINC000585097477 354804668 /nfs/dbraw/zinc/80/46/68/354804668.db2.gz MENJMENHEDHTGJ-HNNXBMFYSA-N 1 2 317.389 1.667 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cc(C)no1)[C@@H]2C ZINC000585097495 354805041 /nfs/dbraw/zinc/80/50/41/354805041.db2.gz KNUMMGKBOUXBTI-GFCCVEGCSA-N 1 2 318.377 1.976 40 0 DDABLO COc1ccccc1[C@H]1CN(CC(=O)N2CCCC2)CC[N@@H+]1C ZINC000257308607 203031314 /nfs/dbraw/zinc/03/13/14/203031314.db2.gz TXIWSQQZOYPGTC-MRXNPFEDSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccccc1[C@H]1CN(CC(=O)N2CCCC2)CC[N@H+]1C ZINC000257308607 203031319 /nfs/dbraw/zinc/03/13/19/203031319.db2.gz TXIWSQQZOYPGTC-MRXNPFEDSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccccc1[C@H]1C[N@H+](CC(=O)N2CCCC2)CCN1C ZINC000257308607 203031322 /nfs/dbraw/zinc/03/13/22/203031322.db2.gz TXIWSQQZOYPGTC-MRXNPFEDSA-N 1 2 317.433 1.606 40 0 DDABLO COc1ccccc1[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCN1C ZINC000257308607 203031327 /nfs/dbraw/zinc/03/13/27/203031327.db2.gz TXIWSQQZOYPGTC-MRXNPFEDSA-N 1 2 317.433 1.606 40 0 DDABLO CNc1nccnc1[C@H]1C[N@H+](Cc2c(C)nn(C)c2C)CCO1 ZINC000257324567 203049709 /nfs/dbraw/zinc/04/97/09/203049709.db2.gz WPHFCFWCGVQHHC-CQSZACIVSA-N 1 2 316.409 1.442 40 0 DDABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2c(C)nn(C)c2C)CCO1 ZINC000257324567 203049713 /nfs/dbraw/zinc/04/97/13/203049713.db2.gz WPHFCFWCGVQHHC-CQSZACIVSA-N 1 2 316.409 1.442 40 0 DDABLO COC(=O)c1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000020098148 182185949 /nfs/dbraw/zinc/18/59/49/182185949.db2.gz UBOGLODUUOPVQJ-UHFFFAOYSA-N 1 2 323.418 1.092 40 0 DDABLO CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2Cc2nnsc23)CC1 ZINC000012235280 406840368 /nfs/dbraw/zinc/84/03/68/406840368.db2.gz BSIDZDXAKKSHHL-WCQYABFASA-N 1 2 306.435 1.858 40 0 DDABLO CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2Cc2nnsc23)CC1 ZINC000012235280 406840369 /nfs/dbraw/zinc/84/03/69/406840369.db2.gz BSIDZDXAKKSHHL-WCQYABFASA-N 1 2 306.435 1.858 40 0 DDABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2nc(CC(C)C)nn21 ZINC000014608470 406875740 /nfs/dbraw/zinc/87/57/40/406875740.db2.gz YPWGWCHAMQSPJD-UHFFFAOYSA-N 1 2 316.409 1.019 40 0 DDABLO OCC[N@@H+]1CCCC[C@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377400 406882006 /nfs/dbraw/zinc/88/20/06/406882006.db2.gz PLSZHGDTKDQBIJ-ZDUSSCGKSA-N 1 2 300.366 1.530 40 0 DDABLO OCC[N@H+]1CCCC[C@H]1c1ccnc(Nc2ncccn2)n1 ZINC000072377400 406882009 /nfs/dbraw/zinc/88/20/09/406882009.db2.gz PLSZHGDTKDQBIJ-ZDUSSCGKSA-N 1 2 300.366 1.530 40 0 DDABLO CCOCCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019999460 406886225 /nfs/dbraw/zinc/88/62/25/406886225.db2.gz BZWPTCQXPITKFN-UHFFFAOYSA-N 1 2 306.406 1.675 40 0 DDABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@H+](CCF)C2)C1 ZINC000096226135 407253829 /nfs/dbraw/zinc/25/38/29/407253829.db2.gz WRNSJAFXAPTMJS-HNNXBMFYSA-N 1 2 306.341 1.519 40 0 DDABLO Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC000096226135 407253830 /nfs/dbraw/zinc/25/38/30/407253830.db2.gz WRNSJAFXAPTMJS-HNNXBMFYSA-N 1 2 306.341 1.519 40 0 DDABLO O=C(NC1CCC1)[C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038877 407224621 /nfs/dbraw/zinc/22/46/21/407224621.db2.gz NLHQSLQMTVGCQV-BFHYXJOUSA-N 1 2 321.446 1.649 40 0 DDABLO O=C(NC1CCC1)[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096038877 407224622 /nfs/dbraw/zinc/22/46/22/407224622.db2.gz NLHQSLQMTVGCQV-BFHYXJOUSA-N 1 2 321.446 1.649 40 0 DDABLO CC(=O)N1CCOC[C@@]2(C[N@H+](Cc3ccc(C)o3)CCO2)C1 ZINC000096049906 407228046 /nfs/dbraw/zinc/22/80/46/407228046.db2.gz YNCKUDBSRLBRKP-MRXNPFEDSA-N 1 2 308.378 1.038 40 0 DDABLO CC(=O)N1CCOC[C@@]2(C[N@@H+](Cc3ccc(C)o3)CCO2)C1 ZINC000096049906 407228048 /nfs/dbraw/zinc/22/80/48/407228048.db2.gz YNCKUDBSRLBRKP-MRXNPFEDSA-N 1 2 308.378 1.038 40 0 DDABLO Cc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)s1 ZINC000096061826 407231732 /nfs/dbraw/zinc/23/17/32/407231732.db2.gz QDSCZTVVTXJGRQ-UHFFFAOYSA-N 1 2 314.418 1.909 40 0 DDABLO CN(C)C(=O)N[C@H]1C[N@H+](Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096186838 407246150 /nfs/dbraw/zinc/24/61/50/407246150.db2.gz GCBNSEMCCUUIQJ-DMDPSCGWSA-N 1 2 310.423 1.146 40 0 DDABLO CN(C)C(=O)N[C@H]1C[N@@H+](Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096186838 407246152 /nfs/dbraw/zinc/24/61/52/407246152.db2.gz GCBNSEMCCUUIQJ-DMDPSCGWSA-N 1 2 310.423 1.146 40 0 DDABLO Cc1oncc1C(=O)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201104 407248276 /nfs/dbraw/zinc/24/82/76/407248276.db2.gz UVAJZHZQLOZVMU-UHFFFAOYSA-N 1 2 312.333 1.080 40 0 DDABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C ZINC000101370786 407309248 /nfs/dbraw/zinc/30/92/48/407309248.db2.gz MYXKHZCTXBKEDO-UHFFFAOYSA-O 1 2 324.426 1.378 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3cnccn3)C[C@H]2N1Cc1ccccc1 ZINC000257213009 407497129 /nfs/dbraw/zinc/49/71/29/407497129.db2.gz CFVAYBABRCJNJH-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3cnccn3)C[C@H]2N1Cc1ccccc1 ZINC000257213009 407497139 /nfs/dbraw/zinc/49/71/39/407497139.db2.gz CFVAYBABRCJNJH-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO CCc1cc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257217007 407501384 /nfs/dbraw/zinc/50/13/84/407501384.db2.gz CXCCERGIRXIYKD-MRXNPFEDSA-N 1 2 316.361 1.003 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)[nH+]1 ZINC000257229867 407506904 /nfs/dbraw/zinc/50/69/04/407506904.db2.gz FZTVLMMLCQNQQX-CYBMUJFWSA-N 1 2 300.362 1.405 40 0 DDABLO CC(=O)N1CCC([N@@H+]2CCO[C@H](c3cnc(C)cn3)C2)CC1 ZINC000257227605 407507370 /nfs/dbraw/zinc/50/73/70/407507370.db2.gz FQBNIKRYFPANNG-INIZCTEOSA-N 1 2 304.394 1.169 40 0 DDABLO CC(=O)N1CCC([N@H+]2CCO[C@H](c3cnc(C)cn3)C2)CC1 ZINC000257227605 407507375 /nfs/dbraw/zinc/50/73/75/407507375.db2.gz FQBNIKRYFPANNG-INIZCTEOSA-N 1 2 304.394 1.169 40 0 DDABLO CN(C(=O)Cc1cccnc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257227448 407507702 /nfs/dbraw/zinc/50/77/02/407507702.db2.gz FPIMDXMZXCDETM-IIAWOOMASA-N 1 2 300.362 1.044 40 0 DDABLO CCc1noc(CCC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257244796 407514379 /nfs/dbraw/zinc/51/43/79/407514379.db2.gz IMVLQKRICNUGIC-LLVKDONJSA-N 1 2 319.365 1.196 40 0 DDABLO CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2[nH]ncc2C)C1 ZINC000257244791 407514630 /nfs/dbraw/zinc/51/46/30/407514630.db2.gz IMTODYDYTJZSFK-CYBMUJFWSA-N 1 2 301.394 1.883 40 0 DDABLO OC1(C[N@@H+]2Cc3nccn3C[C@@H]2c2ccccc2)CCOCC1 ZINC000257316227 407534827 /nfs/dbraw/zinc/53/48/27/407534827.db2.gz VERAVKGSNFXPIM-MRXNPFEDSA-N 1 2 313.401 1.982 40 0 DDABLO OC1(C[N@H+]2Cc3nccn3C[C@@H]2c2ccccc2)CCOCC1 ZINC000257316227 407534832 /nfs/dbraw/zinc/53/48/32/407534832.db2.gz VERAVKGSNFXPIM-MRXNPFEDSA-N 1 2 313.401 1.982 40 0 DDABLO CCc1nnsc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130738303 196105012 /nfs/dbraw/zinc/10/50/12/196105012.db2.gz UEMCGTRSBKJVDV-NSHDSACASA-N 1 2 317.418 1.894 40 0 DDABLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000108928843 278157143 /nfs/dbraw/zinc/15/71/43/278157143.db2.gz APEINNYJGPSPHV-SDDRHHMPSA-N 1 2 306.362 1.852 40 0 DDABLO c1cnc(N2CCC[C@@]3(CN(c4cccc[nH+]4)CCO3)C2)nc1 ZINC000096226458 280482383 /nfs/dbraw/zinc/48/23/83/280482383.db2.gz ZISNDCUQJPVWOU-QGZVFWFLSA-N 1 2 311.389 1.747 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000072382367 191142134 /nfs/dbraw/zinc/14/21/34/191142134.db2.gz MSFBJKJIDFNIDF-ZDUSSCGKSA-N 1 2 314.393 1.838 40 0 DDABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000072382367 191142136 /nfs/dbraw/zinc/14/21/36/191142136.db2.gz MSFBJKJIDFNIDF-ZDUSSCGKSA-N 1 2 314.393 1.838 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072388715 191147935 /nfs/dbraw/zinc/14/79/35/191147935.db2.gz LFZPSIRDIKFUNJ-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072388715 191147936 /nfs/dbraw/zinc/14/79/36/191147936.db2.gz LFZPSIRDIKFUNJ-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072388715 191147937 /nfs/dbraw/zinc/14/79/37/191147937.db2.gz LFZPSIRDIKFUNJ-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@@]1(C)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072388715 191147938 /nfs/dbraw/zinc/14/79/38/191147938.db2.gz LFZPSIRDIKFUNJ-INIZCTEOSA-N 1 2 316.409 1.388 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)cn1 ZINC000019692424 352168771 /nfs/dbraw/zinc/16/87/71/352168771.db2.gz SZUJNBMQRUUGKQ-KRWDZBQOSA-N 1 2 324.388 1.779 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)cn1 ZINC000019692424 352168774 /nfs/dbraw/zinc/16/87/74/352168774.db2.gz SZUJNBMQRUUGKQ-KRWDZBQOSA-N 1 2 324.388 1.779 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccc3ccccc3n1)C2 ZINC000585094773 354802790 /nfs/dbraw/zinc/80/27/90/354802790.db2.gz LYHMZDMIZOIRAE-CYBMUJFWSA-N 1 2 322.368 1.528 40 0 DDABLO CO[C@@]1(COc2ccccc2)COCCN(Cc2[nH]cc[nH+]2)C1 ZINC000585275476 354819298 /nfs/dbraw/zinc/81/92/98/354819298.db2.gz FEQKMPYJNNFZBT-QGZVFWFLSA-N 1 2 317.389 1.706 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000248010508 202711350 /nfs/dbraw/zinc/71/13/50/202711350.db2.gz PIAKSYHCYICQHM-CQSZACIVSA-N 1 2 324.446 1.586 40 0 DDABLO Cc1ncc(C[NH+]2CC3(C2)CO[C@H](Cc2cncnc2)C3)cn1 ZINC000257309109 203035352 /nfs/dbraw/zinc/03/53/52/203035352.db2.gz TZOLAIKENNHCIL-MRXNPFEDSA-N 1 2 311.389 1.409 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257294308 203019241 /nfs/dbraw/zinc/01/92/41/203019241.db2.gz QTNCLEGSMGWFJI-AWEZNQCLSA-N 1 2 301.394 1.640 40 0 DDABLO Cc1nc(N2CCC[C@H](Cc3cc(C(N)=O)ncn3)C2)cc[nH+]1 ZINC000257337803 203060382 /nfs/dbraw/zinc/06/03/82/203060382.db2.gz YULZRDKRTDQTPV-GFCCVEGCSA-N 1 2 312.377 1.133 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257340987 203063264 /nfs/dbraw/zinc/06/32/64/203063264.db2.gz ZIJRFWXFUOQCFV-HNNXBMFYSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257340987 203063267 /nfs/dbraw/zinc/06/32/67/203063267.db2.gz ZIJRFWXFUOQCFV-HNNXBMFYSA-N 1 2 317.418 1.906 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CCOCC2)C1 ZINC000096218147 193586748 /nfs/dbraw/zinc/58/67/48/193586748.db2.gz NDTDWVYFIJKLME-OAHLLOKOSA-N 1 2 307.394 1.305 40 0 DDABLO O=C(C[NH+]1CCSCC1)N1[C@@H]2CC[C@H]1Cc1nnsc12 ZINC000019014509 182103304 /nfs/dbraw/zinc/10/33/04/182103304.db2.gz PHCPOWCNYVBSKY-GXSJLCMTSA-N 1 2 310.448 1.175 40 0 DDABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccn[nH]3)[C@@H](C)C2)c1 ZINC000019575616 182131552 /nfs/dbraw/zinc/13/15/52/182131552.db2.gz UQDFDMGDLVTVOC-ZDUSSCGKSA-N 1 2 314.389 1.765 40 0 DDABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccn[nH]3)[C@@H](C)C2)c1 ZINC000019575616 182131555 /nfs/dbraw/zinc/13/15/55/182131555.db2.gz UQDFDMGDLVTVOC-ZDUSSCGKSA-N 1 2 314.389 1.765 40 0 DDABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cc[nH]n3)[C@@H](C)C2)c1 ZINC000019575616 182131556 /nfs/dbraw/zinc/13/15/56/182131556.db2.gz UQDFDMGDLVTVOC-ZDUSSCGKSA-N 1 2 314.389 1.765 40 0 DDABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cc[nH]n3)[C@@H](C)C2)c1 ZINC000019575616 182131559 /nfs/dbraw/zinc/13/15/59/182131559.db2.gz UQDFDMGDLVTVOC-ZDUSSCGKSA-N 1 2 314.389 1.765 40 0 DDABLO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2ccccc2C(=O)N3C)cn1 ZINC000514289811 257215459 /nfs/dbraw/zinc/21/54/59/257215459.db2.gz OURNOAUUEHWHLJ-ZBFHGGJFSA-N 1 2 312.373 1.138 40 0 biogenic,in-vitro DDABLO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2ccccc2C(=O)N3C)cn1 ZINC000514289811 257215460 /nfs/dbraw/zinc/21/54/60/257215460.db2.gz OURNOAUUEHWHLJ-ZBFHGGJFSA-N 1 2 312.373 1.138 40 0 biogenic,in-vitro DDABLO O=C(Cn1cc[nH+]c1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000019293111 406885056 /nfs/dbraw/zinc/88/50/56/406885056.db2.gz FROLMZOFNVFFMF-UHFFFAOYSA-N 1 2 304.325 1.498 40 0 DDABLO O=C(C[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)N1CCCC1 ZINC000096216845 407252114 /nfs/dbraw/zinc/25/21/14/407252114.db2.gz DQQVQUWOHRODLR-BFHYXJOUSA-N 1 2 321.446 1.602 40 0 DDABLO O=C(C[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)N1CCCC1 ZINC000096216845 407252115 /nfs/dbraw/zinc/25/21/15/407252115.db2.gz DQQVQUWOHRODLR-BFHYXJOUSA-N 1 2 321.446 1.602 40 0 DDABLO CC(C)NC(=O)N1CCO[C@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226390 407253704 /nfs/dbraw/zinc/25/37/04/407253704.db2.gz JNIAWHLRZBLMEG-KRWDZBQOSA-N 1 2 318.421 1.871 40 0 DDABLO c1csc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)n1 ZINC000096054429 407230008 /nfs/dbraw/zinc/23/00/08/407230008.db2.gz LSYYSNZIPZMFNO-NEPJUHHUSA-N 1 2 303.391 1.023 40 0 DDABLO c1csc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)n1 ZINC000096054429 407230009 /nfs/dbraw/zinc/23/00/09/407230009.db2.gz LSYYSNZIPZMFNO-NEPJUHHUSA-N 1 2 303.391 1.023 40 0 DDABLO c1cnc(N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096062480 407233223 /nfs/dbraw/zinc/23/32/23/407233223.db2.gz BONCDDXHEHNOQJ-QGZVFWFLSA-N 1 2 311.389 1.605 40 0 DDABLO CN(C)C(=O)C[N@@H+]1CCc2c(COCC3CC3)cncc2C1 ZINC000096067361 407233688 /nfs/dbraw/zinc/23/36/88/407233688.db2.gz SOCOZUXETSIZEL-UHFFFAOYSA-N 1 2 303.406 1.455 40 0 DDABLO CN(C)C(=O)C[N@H+]1CCc2c(COCC3CC3)cncc2C1 ZINC000096067361 407233690 /nfs/dbraw/zinc/23/36/90/407233690.db2.gz SOCOZUXETSIZEL-UHFFFAOYSA-N 1 2 303.406 1.455 40 0 DDABLO Cc1nc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)cs1 ZINC000096201136 407248559 /nfs/dbraw/zinc/24/85/59/407248559.db2.gz BNTBAYHGIJQSQB-UHFFFAOYSA-N 1 2 315.406 1.304 40 0 DDABLO CCn1nc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)cc1C ZINC000257236408 407510697 /nfs/dbraw/zinc/51/06/97/407510697.db2.gz HCAFFSXVTOMQPJ-CYBMUJFWSA-N 1 2 303.366 1.457 40 0 DDABLO CCCn1ccc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257243916 407514559 /nfs/dbraw/zinc/51/45/59/407514559.db2.gz IJCKNHXFYWHJTM-ZDUSSCGKSA-N 1 2 301.394 1.965 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000096245985 293268356 /nfs/dbraw/zinc/26/83/56/293268356.db2.gz JNXUXXHGNKASSU-KBPBESRZSA-N 1 2 317.418 1.565 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)cs1 ZINC000096245985 293268357 /nfs/dbraw/zinc/26/83/57/293268357.db2.gz JNXUXXHGNKASSU-KBPBESRZSA-N 1 2 317.418 1.565 40 0 DDABLO Cc1cc(C(N)=O)nc([C@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257251431 301161017 /nfs/dbraw/zinc/16/10/17/301161017.db2.gz JQSQRPLKXFAALX-HNNXBMFYSA-N 1 2 300.366 1.118 40 0 DDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)no1 ZINC000306144215 231092403 /nfs/dbraw/zinc/09/24/03/231092403.db2.gz YZICJXDFRPXRDS-NWANDNLSSA-N 1 2 315.377 1.332 40 0 DDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)no1 ZINC000306144215 231092406 /nfs/dbraw/zinc/09/24/06/231092406.db2.gz YZICJXDFRPXRDS-NWANDNLSSA-N 1 2 315.377 1.332 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072383052 191143273 /nfs/dbraw/zinc/14/32/73/191143273.db2.gz DFTWBUMQQPTDOI-NSHDSACASA-N 1 2 303.391 1.904 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072383052 191143274 /nfs/dbraw/zinc/14/32/74/191143274.db2.gz DFTWBUMQQPTDOI-NSHDSACASA-N 1 2 303.391 1.904 40 0 DDABLO COC[C@@]1(CC(=O)N(C)C)C[N@H+](Cc2cccnc2C)CCO1 ZINC000585276858 354820248 /nfs/dbraw/zinc/82/02/48/354820248.db2.gz RYPDWACJRZHHNG-QGZVFWFLSA-N 1 2 321.421 1.086 40 0 DDABLO COC[C@@]1(CC(=O)N(C)C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC000585276858 354820250 /nfs/dbraw/zinc/82/02/50/354820250.db2.gz RYPDWACJRZHHNG-QGZVFWFLSA-N 1 2 321.421 1.086 40 0 DDABLO CNc1cncc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000257274873 203004113 /nfs/dbraw/zinc/00/41/13/203004113.db2.gz NMYNKTIOHDIQBQ-AWEZNQCLSA-N 1 2 314.393 1.859 40 0 DDABLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257311101 203037559 /nfs/dbraw/zinc/03/75/59/203037559.db2.gz UHYBCYVFHQXIHZ-BFYDXBDKSA-N 1 2 315.373 1.360 40 0 DDABLO Cc1cc(CO)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222604 257124533 /nfs/dbraw/zinc/12/45/33/257124533.db2.gz SHONNCCOIGFXLT-UHFFFAOYSA-N 1 2 307.394 1.939 40 0 DDABLO OCC[N@@H+]1CCO[C@H](COc2cccc(Br)c2)C1 ZINC000217497601 257132229 /nfs/dbraw/zinc/13/22/29/257132229.db2.gz DEYNZDMHWMKMCE-ZDUSSCGKSA-N 1 2 316.195 1.521 40 0 DDABLO OCC[N@H+]1CCO[C@H](COc2cccc(Br)c2)C1 ZINC000217497601 257132231 /nfs/dbraw/zinc/13/22/31/257132231.db2.gz DEYNZDMHWMKMCE-ZDUSSCGKSA-N 1 2 316.195 1.521 40 0 DDABLO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC000514290207 257215601 /nfs/dbraw/zinc/21/56/01/257215601.db2.gz VUACSTZONMIZJY-ZBFHGGJFSA-N 1 2 310.357 1.194 40 0 biogenic,in-vitro DDABLO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC000514290207 257215602 /nfs/dbraw/zinc/21/56/02/257215602.db2.gz VUACSTZONMIZJY-ZBFHGGJFSA-N 1 2 310.357 1.194 40 0 biogenic,in-vitro DDABLO COc1ccccc1[C@H](NC(=O)c1cnccn1)c1[nH+]ccn1C ZINC000012114902 406835730 /nfs/dbraw/zinc/83/57/30/406835730.db2.gz UHKYOLCUERXXDS-HNNXBMFYSA-N 1 2 323.356 1.738 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367833 406881470 /nfs/dbraw/zinc/88/14/70/406881470.db2.gz WERCYIBQQBJSGV-NSHDSACASA-N 1 2 317.418 1.946 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367833 406881472 /nfs/dbraw/zinc/88/14/72/406881472.db2.gz WERCYIBQQBJSGV-NSHDSACASA-N 1 2 317.418 1.946 40 0 DDABLO O=C1N(Cc2ccccn2)C[C@H]2C[N@H+](Cc3cccnc3)CCN12 ZINC000077266603 406982176 /nfs/dbraw/zinc/98/21/76/406982176.db2.gz ITALDSKENWHBKK-QGZVFWFLSA-N 1 2 323.400 1.599 40 0 biogenic,in-vitro DDABLO O=C1N(Cc2ccccn2)C[C@H]2C[N@@H+](Cc3cccnc3)CCN12 ZINC000077266603 406982178 /nfs/dbraw/zinc/98/21/78/406982178.db2.gz ITALDSKENWHBKK-QGZVFWFLSA-N 1 2 323.400 1.599 40 0 biogenic,in-vitro DDABLO c1ccn(Cc2nnc3n2CCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096259638 407256821 /nfs/dbraw/zinc/25/68/21/407256821.db2.gz TUCMQQDXZSPRJL-UHFFFAOYSA-N 1 2 308.389 1.929 40 0 DDABLO c1ccn(Cc2nnc3n2CCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096259638 407256823 /nfs/dbraw/zinc/25/68/23/407256823.db2.gz TUCMQQDXZSPRJL-UHFFFAOYSA-N 1 2 308.389 1.929 40 0 DDABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccncc2F)C1 ZINC000096066814 407233596 /nfs/dbraw/zinc/23/35/96/407233596.db2.gz XRICXFSRPOKSRY-GFCCVEGCSA-N 1 2 318.352 1.726 40 0 DDABLO CCOCC(=O)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096066856 407233960 /nfs/dbraw/zinc/23/39/60/407233960.db2.gz UHEJLURFKIKUEH-AWEZNQCLSA-N 1 2 307.394 1.305 40 0 DDABLO Cn1cc[nH+]c1CN1Cc2[nH]nc(COc3cccnc3)c2C1 ZINC000096091057 407236073 /nfs/dbraw/zinc/23/60/73/407236073.db2.gz AXNLWMJXJXGXJZ-UHFFFAOYSA-N 1 2 310.361 1.633 40 0 DDABLO COc1ccc(C[N@@H+]2CCc3[nH]nc(C(=O)N(C)C)c3C2)cc1 ZINC000096187381 407245570 /nfs/dbraw/zinc/24/55/70/407245570.db2.gz OSMXWTPAWUANGU-UHFFFAOYSA-N 1 2 314.389 1.678 40 0 DDABLO COc1ccc(C[N@H+]2CCc3[nH]nc(C(=O)N(C)C)c3C2)cc1 ZINC000096187381 407245571 /nfs/dbraw/zinc/24/55/71/407245571.db2.gz OSMXWTPAWUANGU-UHFFFAOYSA-N 1 2 314.389 1.678 40 0 DDABLO Cc1nnc(C[C@H]2C[C@H]3C[N@H+](Cc4nccs4)C[C@H]3O2)o1 ZINC000096215522 407250715 /nfs/dbraw/zinc/25/07/15/407250715.db2.gz YFEDGTZDPZUUEE-QJPTWQEYSA-N 1 2 306.391 1.667 40 0 DDABLO Cc1nnc(C[C@H]2C[C@H]3C[N@@H+](Cc4nccs4)C[C@H]3O2)o1 ZINC000096215522 407250717 /nfs/dbraw/zinc/25/07/17/407250717.db2.gz YFEDGTZDPZUUEE-QJPTWQEYSA-N 1 2 306.391 1.667 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1cccnc1 ZINC000067897133 407289424 /nfs/dbraw/zinc/28/94/24/407289424.db2.gz UJBMDUFEIQSRTE-SJORKVTESA-N 1 2 324.384 1.088 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1cccnc1 ZINC000067897133 407289425 /nfs/dbraw/zinc/28/94/25/407289425.db2.gz UJBMDUFEIQSRTE-SJORKVTESA-N 1 2 324.384 1.088 40 0 biogenic,in-vitro DDABLO CC(=O)N1CCC[N@H+](Cc2ccnc([C@@]3(C)CCCO3)n2)CC1 ZINC000257201159 407491936 /nfs/dbraw/zinc/49/19/36/407491936.db2.gz AGNVBUGGLYYSOB-QGZVFWFLSA-N 1 2 318.421 1.556 40 0 DDABLO CC(=O)N1CCC[N@@H+](Cc2ccnc([C@@]3(C)CCCO3)n2)CC1 ZINC000257201159 407491940 /nfs/dbraw/zinc/49/19/40/407491940.db2.gz AGNVBUGGLYYSOB-QGZVFWFLSA-N 1 2 318.421 1.556 40 0 DDABLO Cc1nc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)co1 ZINC000257207572 407493527 /nfs/dbraw/zinc/49/35/27/407493527.db2.gz BIIZSBJUAOZVGT-INIZCTEOSA-N 1 2 316.361 1.091 40 0 DDABLO Nc1nccnc1[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257258686 407522770 /nfs/dbraw/zinc/52/27/70/407522770.db2.gz KVCGHDJQTNHNHU-AWEZNQCLSA-N 1 2 318.352 1.650 40 0 DDABLO Nc1nccnc1[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC000257258686 407522773 /nfs/dbraw/zinc/52/27/73/407522773.db2.gz KVCGHDJQTNHNHU-AWEZNQCLSA-N 1 2 318.352 1.650 40 0 DDABLO Cc1cc(N(C)C)nc([C@@H]2COCCN2Cc2[nH+]ccn2C)n1 ZINC000257291978 407533051 /nfs/dbraw/zinc/53/30/51/407533051.db2.gz QJMAHYLURYPLNT-ZDUSSCGKSA-N 1 2 316.409 1.158 40 0 DDABLO CCNc1nc(NCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000329014334 410052077 /nfs/dbraw/zinc/05/20/77/410052077.db2.gz MUKBDWSRSHWAFY-UHFFFAOYSA-N 1 2 306.373 1.821 40 0 DDABLO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC000257334745 301033912 /nfs/dbraw/zinc/03/39/12/301033912.db2.gz YHFHSWHKYHPFRU-AWEZNQCLSA-N 1 2 306.410 1.494 40 0 DDABLO Cc1nc(N2CCC[C@@](C)(c3n[nH]cc3C(N)=O)C2)cc[nH+]1 ZINC000072388733 191147966 /nfs/dbraw/zinc/14/79/66/191147966.db2.gz HZYJBKNJGVTYLN-OAHLLOKOSA-N 1 2 300.366 1.165 40 0 DDABLO Cc1cccc(C[C@H]2COCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072388169 191146951 /nfs/dbraw/zinc/14/69/51/191146951.db2.gz XLMODZYUTWQDSQ-OAHLLOKOSA-N 1 2 300.406 1.815 40 0 DDABLO Cc1cccc(C[C@H]2COCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072388169 191146954 /nfs/dbraw/zinc/14/69/54/191146954.db2.gz XLMODZYUTWQDSQ-OAHLLOKOSA-N 1 2 300.406 1.815 40 0 DDABLO Cc1cccc(-n2c(=O)[nH]c3nc(-n4cc[nH+]c4)ncc3c2=O)c1 ZINC000390830800 354641613 /nfs/dbraw/zinc/64/16/13/354641613.db2.gz NNGZNJHHYRVYGA-UHFFFAOYSA-N 1 2 320.312 1.375 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccccc1F ZINC000585094911 354803686 /nfs/dbraw/zinc/80/36/86/354803686.db2.gz UANBQAWZTDYJRM-CYBMUJFWSA-N 1 2 317.364 1.702 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](Cc1ccco1)C2 ZINC000585110809 354809257 /nfs/dbraw/zinc/80/92/57/354809257.db2.gz JFVRUINAIRSMED-ZDUSSCGKSA-N 1 2 300.362 1.345 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](Cc1ccco1)C2 ZINC000585110809 354809259 /nfs/dbraw/zinc/80/92/59/354809259.db2.gz JFVRUINAIRSMED-ZDUSSCGKSA-N 1 2 300.362 1.345 40 0 DDABLO Cc1[nH]ncc1C[N@@H+]1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585273952 354818653 /nfs/dbraw/zinc/81/86/53/354818653.db2.gz GXTUAELODXDIKQ-MRXNPFEDSA-N 1 2 305.353 1.873 40 0 DDABLO Cc1[nH]ncc1C[N@H+]1CC[C@](O)(COc2cccc(F)c2)C1 ZINC000585273952 354818654 /nfs/dbraw/zinc/81/86/54/354818654.db2.gz GXTUAELODXDIKQ-MRXNPFEDSA-N 1 2 305.353 1.873 40 0 DDABLO OC[C@@]1(Cc2ccccc2F)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585277370 354821904 /nfs/dbraw/zinc/82/19/04/354821904.db2.gz VLMLFGJDXPIGPI-MRXNPFEDSA-N 1 2 305.353 1.355 40 0 DDABLO Cc1ccccc1C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC000585278426 354822578 /nfs/dbraw/zinc/82/25/78/354822578.db2.gz DNNMBUVQJWKPPX-SJORKVTESA-N 1 2 313.401 1.644 40 0 DDABLO COCC(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257311450 203035777 /nfs/dbraw/zinc/03/57/77/203035777.db2.gz UJNIWKINSHICGI-INIZCTEOSA-N 1 2 319.405 1.224 40 0 DDABLO Cc1cc(C)nc([C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257338515 203059655 /nfs/dbraw/zinc/05/96/55/203059655.db2.gz YXUIPCJYQNPOIS-CQSZACIVSA-N 1 2 307.394 1.008 40 0 DDABLO Cc1cc(C)nc([C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257338515 203059659 /nfs/dbraw/zinc/05/96/59/203059659.db2.gz YXUIPCJYQNPOIS-CQSZACIVSA-N 1 2 307.394 1.008 40 0 DDABLO O=S(=O)(Cc1ccccc1)N1CCO[C@@H](Cn2cc[nH+]c2)C1 ZINC000019372736 182121081 /nfs/dbraw/zinc/12/10/81/182121081.db2.gz AXWRHFWOHJPYAU-HNNXBMFYSA-N 1 2 321.402 1.114 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1c1ccccc1 ZINC000067897061 296341018 /nfs/dbraw/zinc/34/10/18/296341018.db2.gz GEZPQRAZUKNUDK-SJORKVTESA-N 1 2 309.369 1.698 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1c1ccccc1 ZINC000067897061 296341022 /nfs/dbraw/zinc/34/10/22/296341022.db2.gz GEZPQRAZUKNUDK-SJORKVTESA-N 1 2 309.369 1.698 40 0 biogenic,in-vitro DDABLO Cc1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)cc1F ZINC000026505291 292126857 /nfs/dbraw/zinc/12/68/57/292126857.db2.gz GVOQARWMFYFMJD-MNOVXSKESA-N 1 2 300.380 1.788 40 0 DDABLO Cc1noc([C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@H+]2C)n1 ZINC000012530037 406846961 /nfs/dbraw/zinc/84/69/61/406846961.db2.gz BNUALJPYFSCFLP-STQMWFEESA-N 1 2 301.350 1.945 40 0 biogenic,in-vitro DDABLO Cc1noc([C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@@H+]2C)n1 ZINC000012530037 406846964 /nfs/dbraw/zinc/84/69/64/406846964.db2.gz BNUALJPYFSCFLP-STQMWFEESA-N 1 2 301.350 1.945 40 0 biogenic,in-vitro DDABLO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(NC)n1)C[N@H+](C)CC2 ZINC000019711522 406886143 /nfs/dbraw/zinc/88/61/43/406886143.db2.gz UOPJVJQWVPWIQO-CQSZACIVSA-N 1 2 317.437 1.970 40 0 DDABLO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(NC)n1)C[N@@H+](C)CC2 ZINC000019711522 406886145 /nfs/dbraw/zinc/88/61/45/406886145.db2.gz UOPJVJQWVPWIQO-CQSZACIVSA-N 1 2 317.437 1.970 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2nccc(C)n2)C1 ZINC000096218672 407252300 /nfs/dbraw/zinc/25/23/00/407252300.db2.gz XHHFOEQOHRGFFL-ZDUSSCGKSA-N 1 2 301.350 1.039 40 0 DDABLO O=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219100 407252343 /nfs/dbraw/zinc/25/23/43/407252343.db2.gz KXSBFXDTVSURNO-XJKSGUPXSA-N 1 2 302.378 1.599 40 0 DDABLO c1csc(C[N@H+]2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188608 407245975 /nfs/dbraw/zinc/24/59/75/407245975.db2.gz GGSSJUNGJNXWII-CYBMUJFWSA-N 1 2 314.418 1.868 40 0 DDABLO c1csc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188608 407245977 /nfs/dbraw/zinc/24/59/77/407245977.db2.gz GGSSJUNGJNXWII-CYBMUJFWSA-N 1 2 314.418 1.868 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)COc2ccccc2)[nH+]1 ZINC000257210060 407495982 /nfs/dbraw/zinc/49/59/82/407495982.db2.gz BSYSWGDHASNHBR-CQSZACIVSA-N 1 2 301.346 1.697 40 0 DDABLO CCc1cc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257217006 407501173 /nfs/dbraw/zinc/50/11/73/407501173.db2.gz CXCCERGIRXIYKD-INIZCTEOSA-N 1 2 316.361 1.003 40 0 DDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CN2CCOCC2)cc[nH+]1 ZINC000257261474 407523147 /nfs/dbraw/zinc/52/31/47/407523147.db2.gz LHLWNIHFGSBUMP-HNNXBMFYSA-N 1 2 318.421 1.143 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257263972 407527653 /nfs/dbraw/zinc/52/76/53/407527653.db2.gz LSHZQPTZHRXXJN-UHFFFAOYSA-N 1 2 310.361 1.332 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000247932453 408515327 /nfs/dbraw/zinc/51/53/27/408515327.db2.gz KDRNQAUYBUTLJL-AWEZNQCLSA-N 1 2 318.402 1.207 40 0 DDABLO c1cncc(-c2cc(NC[C@H]3CCCO3)nc(NC3CC3)[nH+]2)c1 ZINC000329018839 410054895 /nfs/dbraw/zinc/05/48/95/410054895.db2.gz NSXCTIFOQAHFFW-CQSZACIVSA-N 1 2 311.389 1.548 40 0 DDABLO COc1ccccc1C(=O)N1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257289071 295350341 /nfs/dbraw/zinc/35/03/41/295350341.db2.gz PWWASYUFJXXRBJ-ZDUSSCGKSA-N 1 2 301.346 1.940 40 0 DDABLO CCOCC(=O)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306129005 528558452 /nfs/dbraw/zinc/55/84/52/528558452.db2.gz HRCMZABYMIUJNJ-BFHYXJOUSA-N 1 2 305.378 1.003 40 0 DDABLO COCCNC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225221456 539266045 /nfs/dbraw/zinc/26/60/45/539266045.db2.gz ZJLBPVNAVKDXLA-UHFFFAOYSA-N 1 2 309.435 1.031 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1ccnn1C)[C@H]2C ZINC000585098292 354805990 /nfs/dbraw/zinc/80/59/90/354805990.db2.gz TUGPXQFLWBLUJN-LBPRGKRZSA-N 1 2 317.393 1.413 40 0 DDABLO O=C(N1Cc2[nH+]ccn2C[C@H](Cn2cncn2)C1)C1(F)CCC1 ZINC000585110699 354809401 /nfs/dbraw/zinc/80/94/01/354809401.db2.gz VTSIUCOTTRPMNN-LBPRGKRZSA-N 1 2 318.356 1.025 40 0 DDABLO Cc1nc(N2CC[C@@](O)(COc3cccc(F)c3)C2)cc[nH+]1 ZINC000585274930 354819518 /nfs/dbraw/zinc/81/95/18/354819518.db2.gz RTOWYXHDGZWBJL-INIZCTEOSA-N 1 2 303.337 1.944 40 0 DDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585289363 354824943 /nfs/dbraw/zinc/82/49/43/354824943.db2.gz QIMZXNJLSQIWOV-RUBBHVMPSA-N 1 2 311.385 1.875 40 0 DDABLO COc1cccc(F)c1C[N@@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1OC ZINC000585290322 354825363 /nfs/dbraw/zinc/82/53/63/354825363.db2.gz BOMDTUQVVFCWNO-BMFZPTHFSA-N 1 2 313.369 1.695 40 0 DDABLO COc1cccc(F)c1C[N@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1OC ZINC000585290322 354825367 /nfs/dbraw/zinc/82/53/67/354825367.db2.gz BOMDTUQVVFCWNO-BMFZPTHFSA-N 1 2 313.369 1.695 40 0 DDABLO CNc1nccnc1[C@H]1C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000257295176 203021060 /nfs/dbraw/zinc/02/10/60/203021060.db2.gz QXGYXDSSPDEIDF-CYBMUJFWSA-N 1 2 302.382 1.134 40 0 DDABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000257295176 203021064 /nfs/dbraw/zinc/02/10/64/203021064.db2.gz QXGYXDSSPDEIDF-CYBMUJFWSA-N 1 2 302.382 1.134 40 0 DDABLO CCC(=O)N1CCCC[C@H]1c1nc2c(c(NC)n1)C[N@H+](C)CC2 ZINC000019711523 182137719 /nfs/dbraw/zinc/13/77/19/182137719.db2.gz UOPJVJQWVPWIQO-AWEZNQCLSA-N 1 2 317.437 1.970 40 0 DDABLO CCC(=O)N1CCCC[C@H]1c1nc2c(c(NC)n1)C[N@@H+](C)CC2 ZINC000019711523 182137722 /nfs/dbraw/zinc/13/77/22/182137722.db2.gz UOPJVJQWVPWIQO-AWEZNQCLSA-N 1 2 317.437 1.970 40 0 DDABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746854 182142012 /nfs/dbraw/zinc/14/20/12/182142012.db2.gz MOTVWMBFOCBTAQ-QGZVFWFLSA-N 1 2 320.437 1.378 40 0 DDABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746854 182142013 /nfs/dbraw/zinc/14/20/13/182142013.db2.gz MOTVWMBFOCBTAQ-QGZVFWFLSA-N 1 2 320.437 1.378 40 0 DDABLO COCC[N@@H+]1CCCC[C@@H]1c1ncc(C(=O)N(C)C)c(C)n1 ZINC000019753702 182143588 /nfs/dbraw/zinc/14/35/88/182143588.db2.gz MRNADJOZCLYGDQ-CQSZACIVSA-N 1 2 306.410 1.660 40 0 DDABLO COCC[N@H+]1CCCC[C@@H]1c1ncc(C(=O)N(C)C)c(C)n1 ZINC000019753702 182143591 /nfs/dbraw/zinc/14/35/91/182143591.db2.gz MRNADJOZCLYGDQ-CQSZACIVSA-N 1 2 306.410 1.660 40 0 DDABLO CC(=O)N1Cc2c[nH+]cn2C[C@H](COc2nccc(C)n2)C1 ZINC000096218674 256553827 /nfs/dbraw/zinc/55/38/27/256553827.db2.gz XHHFOEQOHRGFFL-CYBMUJFWSA-N 1 2 301.350 1.039 40 0 DDABLO CN(CN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)c1cccc[nH+]1 ZINC000001630687 406676045 /nfs/dbraw/zinc/67/60/45/406676045.db2.gz ZXDGVAMJEFKTIL-OAHLLOKOSA-N 1 2 322.368 1.864 40 0 DDABLO CCOCC(=O)N1CC[C@@]2(CC[N@@H+]2Cc2csc(C)n2)C1 ZINC000096228681 407253571 /nfs/dbraw/zinc/25/35/71/407253571.db2.gz KNGGMWOCUHJHJR-OAHLLOKOSA-N 1 2 309.435 1.665 40 0 DDABLO CCOCC(=O)N1CC[C@@]2(CC[N@H+]2Cc2csc(C)n2)C1 ZINC000096228681 407253572 /nfs/dbraw/zinc/25/35/72/407253572.db2.gz KNGGMWOCUHJHJR-OAHLLOKOSA-N 1 2 309.435 1.665 40 0 DDABLO C[C@@H]1c2ncc(Cn3cncn3)n2CC[N@H+]1Cc1cccnc1 ZINC000096201278 407248329 /nfs/dbraw/zinc/24/83/29/407248329.db2.gz MYWUEZUJHBTCGR-CYBMUJFWSA-N 1 2 309.377 1.495 40 0 DDABLO C[C@@H]1c2ncc(Cn3cncn3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096201278 407248333 /nfs/dbraw/zinc/24/83/33/407248333.db2.gz MYWUEZUJHBTCGR-CYBMUJFWSA-N 1 2 309.377 1.495 40 0 DDABLO CNc1ncccc1C[N@@H+]1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257206913 407494945 /nfs/dbraw/zinc/49/49/45/407494945.db2.gz BFLNZXKEEOPWOC-AWEZNQCLSA-N 1 2 315.377 1.501 40 0 DDABLO CNc1ncccc1C[N@H+]1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257206913 407494952 /nfs/dbraw/zinc/49/49/52/407494952.db2.gz BFLNZXKEEOPWOC-AWEZNQCLSA-N 1 2 315.377 1.501 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2sc(C)nc2C)[nH+]1 ZINC000257258712 407524056 /nfs/dbraw/zinc/52/40/56/407524056.db2.gz KVEXKMPLTOPIHU-LBPRGKRZSA-N 1 2 320.418 1.934 40 0 DDABLO COCC(=O)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350612 191127888 /nfs/dbraw/zinc/12/78/88/191127888.db2.gz LMOOCQJQYRPVJD-LBPRGKRZSA-N 1 2 301.350 1.015 40 0 DDABLO OCC[NH+]1CCC(c2csc(Nc3ncccn3)n2)CC1 ZINC000072363465 191133164 /nfs/dbraw/zinc/13/31/64/191133164.db2.gz QEXYTOAIUSHUDE-UHFFFAOYSA-N 1 2 305.407 1.848 40 0 DDABLO Fc1cnc(N2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@H]32)nc1 ZINC000096082624 283035266 /nfs/dbraw/zinc/03/52/66/283035266.db2.gz JDRAHXOWXAXKNN-MRVWCRGKSA-N 1 2 303.341 1.496 40 0 DDABLO O=C(NC1CCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096036 354804397 /nfs/dbraw/zinc/80/43/97/354804397.db2.gz NZJQDHYJLCLFQA-AWEZNQCLSA-N 1 2 302.378 1.235 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccc(C)nc1)[C@H]2C ZINC000585097545 354804916 /nfs/dbraw/zinc/80/49/16/354804916.db2.gz LMABFDFVFXXTHI-ZDUSSCGKSA-N 1 2 314.389 1.992 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](Cc1ccccc1)C2 ZINC000585110906 354809184 /nfs/dbraw/zinc/80/91/84/354809184.db2.gz YBNVJDTYQAYQOU-HNNXBMFYSA-N 1 2 310.401 1.752 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](Cc1ccccc1)C2 ZINC000585110906 354809187 /nfs/dbraw/zinc/80/91/87/354809187.db2.gz YBNVJDTYQAYQOU-HNNXBMFYSA-N 1 2 310.401 1.752 40 0 DDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)o1 ZINC000585110794 354809413 /nfs/dbraw/zinc/80/94/13/354809413.db2.gz GXZYUVPYKCBXHX-AWEZNQCLSA-N 1 2 316.405 1.946 40 0 DDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NC(C)C)C2)o1 ZINC000585110794 354809417 /nfs/dbraw/zinc/80/94/17/354809417.db2.gz GXZYUVPYKCBXHX-AWEZNQCLSA-N 1 2 316.405 1.946 40 0 DDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2F)Cc2ccnn21 ZINC000585112304 354810528 /nfs/dbraw/zinc/81/05/28/354810528.db2.gz OGYAAPKOYQEXGQ-AWEZNQCLSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2F)Cc2ccnn21 ZINC000585112304 354810531 /nfs/dbraw/zinc/81/05/31/354810531.db2.gz OGYAAPKOYQEXGQ-AWEZNQCLSA-N 1 2 302.353 1.715 40 0 DDABLO CCc1ccc(O[C@@H](CC)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222889579 201626212 /nfs/dbraw/zinc/62/62/12/201626212.db2.gz VUIHEIXKLFRYNX-KRWDZBQOSA-N 1 2 320.433 1.855 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257280081 203007944 /nfs/dbraw/zinc/00/79/44/203007944.db2.gz OJJAIERFLIRCKT-HNNXBMFYSA-N 1 2 301.394 1.753 40 0 DDABLO Cc1cc(C[C@H]2COCC[N@@H+](Cc3cn(C)cn3)C2)ncn1 ZINC000257279930 203008639 /nfs/dbraw/zinc/00/86/39/203008639.db2.gz OITSONWWKLUEHL-CQSZACIVSA-N 1 2 301.394 1.210 40 0 DDABLO Cc1cc(C[C@H]2COCC[N@H+](Cc3cn(C)cn3)C2)ncn1 ZINC000257279930 203008642 /nfs/dbraw/zinc/00/86/42/203008642.db2.gz OITSONWWKLUEHL-CQSZACIVSA-N 1 2 301.394 1.210 40 0 DDABLO OCC[N@@H+]1CCO[C@@H](COc2cccc(Br)c2)C1 ZINC000217497524 257132595 /nfs/dbraw/zinc/13/25/95/257132595.db2.gz DEYNZDMHWMKMCE-CYBMUJFWSA-N 1 2 316.195 1.521 40 0 DDABLO OCC[N@H+]1CCO[C@@H](COc2cccc(Br)c2)C1 ZINC000217497524 257132596 /nfs/dbraw/zinc/13/25/96/257132596.db2.gz DEYNZDMHWMKMCE-CYBMUJFWSA-N 1 2 316.195 1.521 40 0 DDABLO O=C(NC1CC1)N1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219105 407251848 /nfs/dbraw/zinc/25/18/48/407251848.db2.gz KXSBFXDTVSURNO-BBRMVZONSA-N 1 2 302.378 1.599 40 0 DDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCCC4)[C@@H](C2)O3)o1 ZINC000096253161 407256828 /nfs/dbraw/zinc/25/68/28/407256828.db2.gz XDXAQTDETDIEKX-OWCLPIDISA-N 1 2 304.390 1.800 40 0 DDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCCC4)[C@@H](C2)O3)o1 ZINC000096253161 407256830 /nfs/dbraw/zinc/25/68/30/407256830.db2.gz XDXAQTDETDIEKX-OWCLPIDISA-N 1 2 304.390 1.800 40 0 DDABLO Cn1ccnc1C[N@@H+]1CCc2c(COCC3CC3)nn(C)c2C1 ZINC000096085008 407235772 /nfs/dbraw/zinc/23/57/72/407235772.db2.gz KRZJOGZRTARTFQ-UHFFFAOYSA-N 1 2 315.421 1.639 40 0 DDABLO Cn1ccnc1C[N@H+]1CCc2c(COCC3CC3)nn(C)c2C1 ZINC000096085008 407235774 /nfs/dbraw/zinc/23/57/74/407235774.db2.gz KRZJOGZRTARTFQ-UHFFFAOYSA-N 1 2 315.421 1.639 40 0 DDABLO Fc1cnc(N2CCO[C@H]3[C@H]2CC[C@H]3Cn2cc[nH+]c2)nc1 ZINC000096082623 407236355 /nfs/dbraw/zinc/23/63/55/407236355.db2.gz JDRAHXOWXAXKNN-IACUBPJLSA-N 1 2 303.341 1.496 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@H](COc1cccnc1)C2 ZINC000096206557 407249632 /nfs/dbraw/zinc/24/96/32/407249632.db2.gz KZXUQJNSTBADES-AWEZNQCLSA-N 1 2 322.372 1.784 40 0 DDABLO Cc1cc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)nc[nH+]1 ZINC000257204095 407493995 /nfs/dbraw/zinc/49/39/95/407493995.db2.gz ATANSBYMZZRKEJ-HZPDHXFCSA-N 1 2 324.384 1.401 40 0 DDABLO O=C(Cn1cccn1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257229958 407507341 /nfs/dbraw/zinc/50/73/41/407507341.db2.gz GADFIOKZHOSFPN-HNNXBMFYSA-N 1 2 307.357 1.863 40 0 DDABLO CN(C(=O)CN1CCCC1=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257267411 407530048 /nfs/dbraw/zinc/53/00/48/407530048.db2.gz MHEREELYDIAMQM-CQSZACIVSA-N 1 2 316.405 1.131 40 0 DDABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1 ZINC000096067085 280222680 /nfs/dbraw/zinc/22/26/80/280222680.db2.gz XLODGTMLBJQLAA-GFCCVEGCSA-N 1 2 312.333 1.040 40 0 DDABLO COCCn1cnnc1[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000072364113 191133057 /nfs/dbraw/zinc/13/30/57/191133057.db2.gz HUWIKPCCIBAAQB-ZDUSSCGKSA-N 1 2 302.382 1.755 40 0 DDABLO Cc1cc(Nc2cc(C)nc([C@@H]3CC[N@H+](CC(N)=O)C3)n2)no1 ZINC000072383089 191142362 /nfs/dbraw/zinc/14/23/62/191142362.db2.gz XKMYMWRWIRODDO-LLVKDONJSA-N 1 2 316.365 1.100 40 0 DDABLO Cc1cc(Nc2cc(C)nc([C@@H]3CC[N@@H+](CC(N)=O)C3)n2)no1 ZINC000072383089 191142364 /nfs/dbraw/zinc/14/23/64/191142364.db2.gz XKMYMWRWIRODDO-LLVKDONJSA-N 1 2 316.365 1.100 40 0 DDABLO C[C@H](c1ccccc1)n1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000004102751 181073644 /nfs/dbraw/zinc/07/36/44/181073644.db2.gz ZEQUEHXTJBUKHU-CQSZACIVSA-N 1 2 324.388 1.904 40 0 DDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)CCOc1ccccc1)C2 ZINC000585094564 354803596 /nfs/dbraw/zinc/80/35/96/354803596.db2.gz BRJZIHRBWUGRFM-ZDUSSCGKSA-N 1 2 315.373 1.135 40 0 DDABLO Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000585275325 354819592 /nfs/dbraw/zinc/81/95/92/354819592.db2.gz ANMIQQBAGXREHH-IRXDYDNUSA-N 1 2 313.401 1.855 40 0 DDABLO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](C3COC3)CC[C@@H]2O)c1C ZINC000585285948 354824335 /nfs/dbraw/zinc/82/43/35/354824335.db2.gz FOFREAZIIVLIOQ-WMZOPIPTSA-N 1 2 321.417 1.187 40 0 DDABLO Cc1ccc(C)c(OC[C@@]2(O)C[N@H+](C3COC3)CC[C@@H]2O)c1C ZINC000585285948 354824340 /nfs/dbraw/zinc/82/43/40/354824340.db2.gz FOFREAZIIVLIOQ-WMZOPIPTSA-N 1 2 321.417 1.187 40 0 DDABLO O=C1C[N@H+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CCN1 ZINC000585290567 354824866 /nfs/dbraw/zinc/82/48/66/354824866.db2.gz YIBPQXMJIPGIBV-SQWLQELKSA-N 1 2 324.808 1.433 40 0 DDABLO O=C1C[N@@H+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CCN1 ZINC000585290567 354824868 /nfs/dbraw/zinc/82/48/68/354824868.db2.gz YIBPQXMJIPGIBV-SQWLQELKSA-N 1 2 324.808 1.433 40 0 DDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)[nH+]1 ZINC000257293071 203017770 /nfs/dbraw/zinc/01/77/70/203017770.db2.gz QNZVJFNXKBYXQI-GFCCVEGCSA-N 1 2 300.362 1.767 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C(C)C)nc2)[nH+]1 ZINC000257293404 203019997 /nfs/dbraw/zinc/01/99/97/203019997.db2.gz QPIOBTOVHFJFOB-CYBMUJFWSA-N 1 2 315.377 1.845 40 0 DDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cnco1 ZINC000257311517 203036725 /nfs/dbraw/zinc/03/67/25/203036725.db2.gz UJWKOPVSQVMEPX-MRXNPFEDSA-N 1 2 316.361 1.173 40 0 DDABLO Cc1cc(C)nc([C@@H]2C[N@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257338514 203060354 /nfs/dbraw/zinc/06/03/54/203060354.db2.gz YXUIPCJYQNPOIS-AWEZNQCLSA-N 1 2 307.394 1.008 40 0 DDABLO Cc1cc(C)nc([C@@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)n1 ZINC000257338514 203060357 /nfs/dbraw/zinc/06/03/57/203060357.db2.gz YXUIPCJYQNPOIS-AWEZNQCLSA-N 1 2 307.394 1.008 40 0 DDABLO COCCCN1CNC(Nc2nc3ccccc3s2)=[NH+]C1 ZINC000019332644 182116458 /nfs/dbraw/zinc/11/64/58/182116458.db2.gz VCLZWXUFTBAYSY-UHFFFAOYSA-N 1 2 305.407 1.921 40 0 DDABLO C[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)n1cc[nH+]c1 ZINC000019462092 182124471 /nfs/dbraw/zinc/12/44/71/182124471.db2.gz MMAMSOCZVUQDOI-NXEZZACHSA-N 1 2 300.318 1.802 40 0 DDABLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1nccs1 ZINC000019657779 182135431 /nfs/dbraw/zinc/13/54/31/182135431.db2.gz DMCVPHPKMMLKLC-UHFFFAOYSA-N 1 2 317.418 1.689 40 0 DDABLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1nccs1 ZINC000019657779 182135433 /nfs/dbraw/zinc/13/54/33/182135433.db2.gz DMCVPHPKMMLKLC-UHFFFAOYSA-N 1 2 317.418 1.689 40 0 DDABLO COc1cccc(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000020034836 182182269 /nfs/dbraw/zinc/18/22/69/182182269.db2.gz XWRVCKBPAHQXMY-CYBMUJFWSA-N 1 2 303.362 1.866 40 0 DDABLO Cc1nnc(C[C@@H]2OC[C@H]3C[N@H+](Cc4nccs4)CC[C@H]32)[nH]1 ZINC000096216085 407251212 /nfs/dbraw/zinc/25/12/12/407251212.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 1 2 319.434 1.649 40 0 DDABLO Cc1nnc(C[C@@H]2OC[C@H]3C[N@@H+](Cc4nccs4)CC[C@H]32)[nH]1 ZINC000096216085 407251214 /nfs/dbraw/zinc/25/12/14/407251214.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 1 2 319.434 1.649 40 0 DDABLO Cc1nc(C[C@@H]2OC[C@H]3C[N@H+](Cc4nccs4)CC[C@H]32)n[nH]1 ZINC000096216085 407251217 /nfs/dbraw/zinc/25/12/17/407251217.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 1 2 319.434 1.649 40 0 DDABLO Cc1nc(C[C@@H]2OC[C@H]3C[N@@H+](Cc4nccs4)CC[C@H]32)n[nH]1 ZINC000096216085 407251218 /nfs/dbraw/zinc/25/12/18/407251218.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 1 2 319.434 1.649 40 0 DDABLO O=C(c1ccco1)N1CCO[C@@H]2[C@@H](Cn3cc[nH+]c3)CC[C@H]21 ZINC000096250237 407255611 /nfs/dbraw/zinc/25/56/11/407255611.db2.gz GCQLMOKMECMKOJ-UMVBOHGHSA-N 1 2 301.346 1.796 40 0 DDABLO Cn1cc(C[N@@H+]2CCCn3c(Cn4cccc4)nnc3C2)cn1 ZINC000096259641 407257249 /nfs/dbraw/zinc/25/72/49/407257249.db2.gz XFHCECPWQXWIIK-UHFFFAOYSA-N 1 2 311.393 1.267 40 0 DDABLO Cn1cc(C[N@H+]2CCCn3c(Cn4cccc4)nnc3C2)cn1 ZINC000096259641 407257250 /nfs/dbraw/zinc/25/72/50/407257250.db2.gz XFHCECPWQXWIIK-UHFFFAOYSA-N 1 2 311.393 1.267 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)no1 ZINC000096043239 407226192 /nfs/dbraw/zinc/22/61/92/407226192.db2.gz UBGWREGVSJRGFN-GLQYFDAESA-N 1 2 305.378 1.241 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)no1 ZINC000096043239 407226194 /nfs/dbraw/zinc/22/61/94/407226194.db2.gz UBGWREGVSJRGFN-GLQYFDAESA-N 1 2 305.378 1.241 40 0 DDABLO CC(C)[N@H+](C)Cc1nnc2n1CCN(C(=O)c1ccco1)CC2 ZINC000096058958 407231888 /nfs/dbraw/zinc/23/18/88/407231888.db2.gz BIFGFERPVLJXHD-UHFFFAOYSA-N 1 2 317.393 1.410 40 0 DDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCN(C(=O)c1ccco1)CC2 ZINC000096058958 407231889 /nfs/dbraw/zinc/23/18/89/407231889.db2.gz BIFGFERPVLJXHD-UHFFFAOYSA-N 1 2 317.393 1.410 40 0 DDABLO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096064886 407232689 /nfs/dbraw/zinc/23/26/89/407232689.db2.gz JQBQUEADGJGIBG-YNEHKIRRSA-N 1 2 309.435 1.505 40 0 DDABLO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]2OCC[C@H]21 ZINC000096064886 407232691 /nfs/dbraw/zinc/23/26/91/407232691.db2.gz JQBQUEADGJGIBG-YNEHKIRRSA-N 1 2 309.435 1.505 40 0 DDABLO O=C(c1cnccn1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198920 407247249 /nfs/dbraw/zinc/24/72/49/407247249.db2.gz UQLIOVPDTKIRCB-UHFFFAOYSA-N 1 2 309.373 1.744 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccco1 ZINC000096201257 407248483 /nfs/dbraw/zinc/24/84/83/407248483.db2.gz LKQCKUYEXPXCLM-LBPRGKRZSA-N 1 2 311.345 1.938 40 0 DDABLO Cn1ccnc1C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC000096201385 407248950 /nfs/dbraw/zinc/24/89/50/407248950.db2.gz OYSORVSSNKAFPJ-UHFFFAOYSA-N 1 2 318.421 1.024 40 0 DDABLO Cc1cccc(C[N@@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257216638 407500507 /nfs/dbraw/zinc/50/05/07/407500507.db2.gz CVMAHUNFPNSCLN-LBPRGKRZSA-N 1 2 320.418 1.506 40 0 DDABLO Cc1cccc(C[N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257216638 407500510 /nfs/dbraw/zinc/50/05/10/407500510.db2.gz CVMAHUNFPNSCLN-LBPRGKRZSA-N 1 2 320.418 1.506 40 0 DDABLO CNc1cc([C@H]2CCCN2S(=O)(=O)N2CCCC2)cc[nH+]1 ZINC000257254224 407520091 /nfs/dbraw/zinc/52/00/91/407520091.db2.gz KCGHIIGQYQYNGP-CYBMUJFWSA-N 1 2 310.423 1.601 40 0 DDABLO C[NH2+]CC(=O)N1CCCC[C@H]1c1cc(=O)n2[nH]c(C)cc2n1 ZINC000257294240 407532040 /nfs/dbraw/zinc/53/20/40/407532040.db2.gz QTDSBQKLAOKBHN-LBPRGKRZSA-N 1 2 303.366 1.016 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](Cc3cccs3)C2)C1 ZINC000248044937 408526840 /nfs/dbraw/zinc/52/68/40/408526840.db2.gz WHHCMGDULQSEIV-CYBMUJFWSA-N 1 2 324.446 1.586 40 0 DDABLO CCNc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329057186 410075245 /nfs/dbraw/zinc/07/52/45/410075245.db2.gz VVLSJNSCTBXHFJ-UHFFFAOYSA-N 1 2 306.373 1.821 40 0 DDABLO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133363 526845799 /nfs/dbraw/zinc/84/57/99/526845799.db2.gz MJNPVEWDZPALFJ-SJORKVTESA-N 1 2 322.405 1.422 40 0 DDABLO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc(CO)o1)CCO2 ZINC000306133363 526845805 /nfs/dbraw/zinc/84/58/05/526845805.db2.gz MJNPVEWDZPALFJ-SJORKVTESA-N 1 2 322.405 1.422 40 0 DDABLO CC[C@@H](Oc1ccccc1OC)C(=O)NCC[NH+]1CCOCC1 ZINC000008495055 352135617 /nfs/dbraw/zinc/13/56/17/352135617.db2.gz OMOOTLMYTKWEHD-CQSZACIVSA-N 1 2 322.405 1.301 40 0 DDABLO CCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000585095929 354804181 /nfs/dbraw/zinc/80/41/81/354804181.db2.gz CTZMPYFSKDEXJF-AWEZNQCLSA-N 1 2 316.361 1.476 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1c[nH]c(C)n1)[C@@H]2C ZINC000585098722 354805665 /nfs/dbraw/zinc/80/56/65/354805665.db2.gz XXYDWHQCYBFOBS-SNVBAGLBSA-N 1 2 303.366 1.321 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585275665 354819651 /nfs/dbraw/zinc/81/96/51/354819651.db2.gz HTUGMWFFRVZNKH-KRWDZBQOSA-N 1 2 319.380 1.663 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cc(Cl)no2)[nH+]1 ZINC000257297446 203021667 /nfs/dbraw/zinc/02/16/67/203021667.db2.gz RHGHVFBFANXDCS-NSHDSACASA-N 1 2 324.768 1.892 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)[nH+]1 ZINC000257318171 203042332 /nfs/dbraw/zinc/04/23/32/203042332.db2.gz VMTMVTWJHIVNNO-ZDUSSCGKSA-N 1 2 304.394 1.057 40 0 DDABLO COc1cccc(C[N@@H+]2CCC[C@@]2(C(N)=O)c2cnccn2)c1 ZINC000257341431 203062716 /nfs/dbraw/zinc/06/27/16/203062716.db2.gz ZKHBHANVUYMMRI-KRWDZBQOSA-N 1 2 312.373 1.462 40 0 DDABLO COc1cccc(C[N@H+]2CCC[C@@]2(C(N)=O)c2cnccn2)c1 ZINC000257341431 203062719 /nfs/dbraw/zinc/06/27/19/203062719.db2.gz ZKHBHANVUYMMRI-KRWDZBQOSA-N 1 2 312.373 1.462 40 0 DDABLO O=C(NCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000019293956 182113558 /nfs/dbraw/zinc/11/35/58/182113558.db2.gz XVSBDUUMWODMKE-LBPRGKRZSA-N 1 2 316.336 1.192 40 0 DDABLO COCCO[C@H]1CCN(c2cccc[nH+]2)[C@H]1Cc1cnn(C)c1 ZINC000096200646 285114250 /nfs/dbraw/zinc/11/42/50/285114250.db2.gz WTOYDIFCQXQZFY-HOTGVXAUSA-N 1 2 316.405 1.668 40 0 DDABLO Cc1ccc(Nc2nc(NN)[nH+]c(N3CCOCC3)n2)cc1C ZINC000006276099 257218819 /nfs/dbraw/zinc/21/88/19/257218819.db2.gz CAQKDULLUNATKP-UHFFFAOYSA-N 1 2 315.381 1.354 40 0 DDABLO CNC(=O)CSc1nnc(C)n1-c1ccc([NH+](C)C)cc1 ZINC000001332952 406666669 /nfs/dbraw/zinc/66/66/69/406666669.db2.gz IPVHPMDGHMIVFQ-UHFFFAOYSA-N 1 2 305.407 1.480 40 0 DDABLO CCN(CC)C(=O)CN1c2ccccc2C2=[NH+]CCN2C1=O ZINC000012182967 406837014 /nfs/dbraw/zinc/83/70/14/406837014.db2.gz KGRAUVSLWDIPKC-UHFFFAOYSA-N 1 2 300.362 1.557 40 0 DDABLO CCNc1nc(N2CC[NH+](CC)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000020801793 406888169 /nfs/dbraw/zinc/88/81/69/406888169.db2.gz VWOYUFVBFAKFMJ-GFCCVEGCSA-N 1 2 317.437 1.815 40 0 DDABLO CC(C)(C)c1c(O)nc(SCC[NH+]2CCOCC2)[nH]c1=O ZINC000028167083 406916559 /nfs/dbraw/zinc/91/65/59/406916559.db2.gz BHTVAFKYRYALLR-UHFFFAOYSA-N 1 2 313.423 1.197 40 0 DDABLO COc1ncccc1C[N@@H+]1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000096042697 407226069 /nfs/dbraw/zinc/22/60/69/407226069.db2.gz UOMIWQWFMVXDOH-NWANDNLSSA-N 1 2 319.405 1.158 40 0 DDABLO COc1ncccc1C[N@H+]1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000096042697 407226071 /nfs/dbraw/zinc/22/60/71/407226071.db2.gz UOMIWQWFMVXDOH-NWANDNLSSA-N 1 2 319.405 1.158 40 0 DDABLO COC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096060896 407231928 /nfs/dbraw/zinc/23/19/28/407231928.db2.gz PNSPTNHFLVKICS-HNNXBMFYSA-N 1 2 313.405 1.829 40 0 DDABLO COC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096060896 407231930 /nfs/dbraw/zinc/23/19/30/407231930.db2.gz PNSPTNHFLVKICS-HNNXBMFYSA-N 1 2 313.405 1.829 40 0 DDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)c1ccnnc1 ZINC000096062060 407232277 /nfs/dbraw/zinc/23/22/77/407232277.db2.gz ZKZDUDGSQKJXOK-GFCCVEGCSA-N 1 2 323.360 1.135 40 0 DDABLO Cc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC4CC4)[N@H+](C)[C@H]3C2)o1 ZINC000096182600 407243440 /nfs/dbraw/zinc/24/34/40/407243440.db2.gz CAGFHMDAUSQFND-OIISXLGYSA-N 1 2 317.433 1.619 40 0 DDABLO Cc1ccc(CN2C[C@H]3C[C@H](C(=O)NCC4CC4)[N@@H+](C)[C@H]3C2)o1 ZINC000096182600 407243442 /nfs/dbraw/zinc/24/34/42/407243442.db2.gz CAGFHMDAUSQFND-OIISXLGYSA-N 1 2 317.433 1.619 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1ccccn1 ZINC000067897158 407288921 /nfs/dbraw/zinc/28/89/21/407288921.db2.gz OJDZIFWCJWPNCI-SJORKVTESA-N 1 2 324.384 1.088 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1ccccn1 ZINC000067897158 407288922 /nfs/dbraw/zinc/28/89/22/407288922.db2.gz OJDZIFWCJWPNCI-SJORKVTESA-N 1 2 324.384 1.088 40 0 biogenic,in-vitro DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@H]3C2)no1 ZINC000097953828 407303524 /nfs/dbraw/zinc/30/35/24/407303524.db2.gz KPCPYBZNXQKJKP-IMJJTQAJSA-N 1 2 319.405 1.489 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@H]3C2)no1 ZINC000097953828 407303525 /nfs/dbraw/zinc/30/35/25/407303525.db2.gz KPCPYBZNXQKJKP-IMJJTQAJSA-N 1 2 319.405 1.489 40 0 DDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257202605 407494255 /nfs/dbraw/zinc/49/42/55/407494255.db2.gz AMOQJUHGXFPHGP-CQSZACIVSA-N 1 2 301.394 1.868 40 0 DDABLO C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CC[NH+](C)CC1 ZINC000225439086 407583838 /nfs/dbraw/zinc/58/38/38/407583838.db2.gz GVRMNESSQPHQNU-LBPRGKRZSA-N 1 2 315.373 1.783 40 0 biogenic,in-vitro DDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257245841 407517162 /nfs/dbraw/zinc/51/71/62/407517162.db2.gz IRHHQFSSXFHKKX-HNNXBMFYSA-N 1 2 314.393 1.183 40 0 DDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257245841 407517171 /nfs/dbraw/zinc/51/71/71/407517171.db2.gz IRHHQFSSXFHKKX-HNNXBMFYSA-N 1 2 314.393 1.183 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2C)n1 ZINC000257254279 407520963 /nfs/dbraw/zinc/52/09/63/407520963.db2.gz KCLFLJADMBRUPF-OAHLLOKOSA-N 1 2 314.393 1.481 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2c[nH]nc2C)n1 ZINC000257254279 407520968 /nfs/dbraw/zinc/52/09/68/407520968.db2.gz KCLFLJADMBRUPF-OAHLLOKOSA-N 1 2 314.393 1.481 40 0 DDABLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000218761376 407522257 /nfs/dbraw/zinc/52/22/57/407522257.db2.gz YKOSPCOYFDYYTE-HNNXBMFYSA-N 1 2 323.356 1.652 40 0 DDABLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000218761376 407522261 /nfs/dbraw/zinc/52/22/61/407522261.db2.gz YKOSPCOYFDYYTE-HNNXBMFYSA-N 1 2 323.356 1.652 40 0 DDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)[nH+]1 ZINC000257255788 407523888 /nfs/dbraw/zinc/52/38/88/407523888.db2.gz KIVXCDGAIHSYNL-LBPRGKRZSA-N 1 2 310.361 1.630 40 0 DDABLO COc1ncc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1 ZINC000257332333 407532431 /nfs/dbraw/zinc/53/24/31/407532431.db2.gz XWUSEBHMHCMWKF-HUUCEWRRSA-N 1 2 319.336 1.248 40 0 DDABLO COc1ncc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cn1 ZINC000257332333 407532440 /nfs/dbraw/zinc/53/24/40/407532440.db2.gz XWUSEBHMHCMWKF-HUUCEWRRSA-N 1 2 319.336 1.248 40 0 DDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](C(=O)N(C)C)C1 ZINC000248024650 408527644 /nfs/dbraw/zinc/52/76/44/408527644.db2.gz RYXQSNBFSZRHQC-OAHLLOKOSA-N 1 2 314.389 1.537 40 0 DDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](C(=O)N(C)C)C1 ZINC000248024650 408527646 /nfs/dbraw/zinc/52/76/46/408527646.db2.gz RYXQSNBFSZRHQC-OAHLLOKOSA-N 1 2 314.389 1.537 40 0 DDABLO CC1CCN(Cc2nnc(C[NH+]3CCC(C)CC3)n2N)CC1 ZINC000225148758 539266026 /nfs/dbraw/zinc/26/60/26/539266026.db2.gz BXKIFYYEOAOKIQ-UHFFFAOYSA-N 1 2 306.458 1.456 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367832 191136538 /nfs/dbraw/zinc/13/65/38/191136538.db2.gz WERCYIBQQBJSGV-LLVKDONJSA-N 1 2 317.418 1.946 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367832 191136540 /nfs/dbraw/zinc/13/65/40/191136540.db2.gz WERCYIBQQBJSGV-LLVKDONJSA-N 1 2 317.418 1.946 40 0 DDABLO O=C([C@H]1CCOC1)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111054 354809504 /nfs/dbraw/zinc/80/95/04/354809504.db2.gz BUVAUNUAZPRYFR-HNNXBMFYSA-N 1 2 311.385 1.971 40 0 DDABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+](CC(C)C)C3)C1 ZINC000585112720 354810218 /nfs/dbraw/zinc/81/02/18/354810218.db2.gz UKEOXKYVOGBJGM-GFCCVEGCSA-N 1 2 307.394 1.550 40 0 DDABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+](CC(C)C)C3)C1 ZINC000585112720 354810222 /nfs/dbraw/zinc/81/02/22/354810222.db2.gz UKEOXKYVOGBJGM-GFCCVEGCSA-N 1 2 307.394 1.550 40 0 DDABLO O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cc[nH]n2)C1 ZINC000585269020 354818582 /nfs/dbraw/zinc/81/85/82/354818582.db2.gz HWDHNLGOLURQBU-INIZCTEOSA-N 1 2 321.352 1.191 40 0 DDABLO O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585269020 354818583 /nfs/dbraw/zinc/81/85/83/354818583.db2.gz HWDHNLGOLURQBU-INIZCTEOSA-N 1 2 321.352 1.191 40 0 DDABLO Cc1cccc(C[C@]2(CO)CN(Cc3[nH]cc[nH+]3)CCO2)c1 ZINC000585276452 354820749 /nfs/dbraw/zinc/82/07/49/354820749.db2.gz OVPHMCPVAPZPLN-QGZVFWFLSA-N 1 2 301.390 1.524 40 0 DDABLO CN1C(=O)CCC[C@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)CC[C@H]21 ZINC000585290480 354825579 /nfs/dbraw/zinc/82/55/79/354825579.db2.gz DSZGYYQRTNSQER-UGAQRHAQSA-N 1 2 302.378 1.282 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2csc(C)n2)[nH+]1 ZINC000257272487 203001323 /nfs/dbraw/zinc/00/13/23/203001323.db2.gz NCOTULDIMKXWDZ-LBPRGKRZSA-N 1 2 306.391 1.626 40 0 DDABLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257275760 203003500 /nfs/dbraw/zinc/00/35/00/203003500.db2.gz NQTUVXPXRYETGE-HNNXBMFYSA-N 1 2 313.405 1.796 40 0 DDABLO CNc1nccnc1[C@H]1CN(Cc2[nH+]ccn2C(C)C)CCO1 ZINC000257307838 203032151 /nfs/dbraw/zinc/03/21/51/203032151.db2.gz TUIMGRHBBOSFMU-CYBMUJFWSA-N 1 2 316.409 1.869 40 0 DDABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1cccnc1 ZINC000257277467 203006617 /nfs/dbraw/zinc/00/66/17/203006617.db2.gz NYCNWVFUZKKOLF-KRWDZBQOSA-N 1 2 311.389 1.451 40 0 DDABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1cccnc1 ZINC000257277467 203006621 /nfs/dbraw/zinc/00/66/21/203006621.db2.gz NYCNWVFUZKKOLF-KRWDZBQOSA-N 1 2 311.389 1.451 40 0 DDABLO CC(C)CNC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000257284504 203012625 /nfs/dbraw/zinc/01/26/25/203012625.db2.gz PCYBRKOQMUDJGV-KRWDZBQOSA-N 1 2 319.453 1.921 40 0 DDABLO CC(C)CNC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000257284504 203012628 /nfs/dbraw/zinc/01/26/28/203012628.db2.gz PCYBRKOQMUDJGV-KRWDZBQOSA-N 1 2 319.453 1.921 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257329471 203053799 /nfs/dbraw/zinc/05/37/99/203053799.db2.gz XKCJEEOUUIRNFR-CYBMUJFWSA-N 1 2 303.366 1.047 40 0 DDABLO Cc1cc([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nc2nccn21 ZINC000257318984 203043917 /nfs/dbraw/zinc/04/39/17/203043917.db2.gz VQEYUXANUBXLRU-HNNXBMFYSA-N 1 2 324.388 1.988 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccnn2C)CC[N@@H+]1C ZINC000257338751 203059587 /nfs/dbraw/zinc/05/95/87/203059587.db2.gz YYVJMYYARZDIFF-HNNXBMFYSA-N 1 2 314.389 1.558 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccnn2C)CC[N@H+]1C ZINC000257338751 203059590 /nfs/dbraw/zinc/05/95/90/203059590.db2.gz YYVJMYYARZDIFF-HNNXBMFYSA-N 1 2 314.389 1.558 40 0 DDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2cncc(Cl)c2N)CC1 ZINC000072210801 257127225 /nfs/dbraw/zinc/12/72/25/257127225.db2.gz VHBZMWOZSHTYHB-UHFFFAOYSA-N 1 2 318.830 1.032 40 0 DDABLO CCOc1ncccc1-c1noc(C[NH+]2CCC(O)CC2)n1 ZINC000012234035 406840346 /nfs/dbraw/zinc/84/03/46/406840346.db2.gz HOUYACVJNRLXDR-UHFFFAOYSA-N 1 2 304.350 1.487 40 0 DDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccsc2)C1 ZINC000096208952 407251088 /nfs/dbraw/zinc/25/10/88/407251088.db2.gz JZZQPUVBLTWYHY-ZDUSSCGKSA-N 1 2 305.403 1.792 40 0 DDABLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096225516 407253146 /nfs/dbraw/zinc/25/31/46/407253146.db2.gz QZRUPEMFMPCSHM-QGZVFWFLSA-N 1 2 316.405 1.669 40 0 DDABLO CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096225516 407253147 /nfs/dbraw/zinc/25/31/47/407253147.db2.gz QZRUPEMFMPCSHM-QGZVFWFLSA-N 1 2 316.405 1.669 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)cs1 ZINC000096042908 407226079 /nfs/dbraw/zinc/22/60/79/407226079.db2.gz OCRBIWZIINCKSO-FPMFFAJLSA-N 1 2 309.435 1.519 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)cs1 ZINC000096042908 407226082 /nfs/dbraw/zinc/22/60/82/407226082.db2.gz OCRBIWZIINCKSO-FPMFFAJLSA-N 1 2 309.435 1.519 40 0 DDABLO Cn1cc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)cn1 ZINC000096046455 407226816 /nfs/dbraw/zinc/22/68/16/407226816.db2.gz IXJZSOAVYCTRSC-UHFFFAOYSA-N 1 2 311.389 1.163 40 0 DDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccco1 ZINC000096062095 407231722 /nfs/dbraw/zinc/23/17/22/407231722.db2.gz WJGUPCIKPVXSQH-NSHDSACASA-N 1 2 312.333 1.333 40 0 DDABLO Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111925 407238990 /nfs/dbraw/zinc/23/89/90/407238990.db2.gz FDHWGCUPHJKLEE-JSGCOSHPSA-N 1 2 312.373 1.418 40 0 biogenic,in-vitro DDABLO NC(=O)c1cc(C[C@H]2CCCN(c3cccc[nH+]3)CC2)ncn1 ZINC000257216012 407499573 /nfs/dbraw/zinc/49/95/73/407499573.db2.gz CSRQJVLQJIUFRM-ZDUSSCGKSA-N 1 2 311.389 1.820 40 0 DDABLO C[N@@H+]1CCN(S(=O)(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000257223652 407504049 /nfs/dbraw/zinc/50/40/49/407504049.db2.gz DYIKANVLZGWJPP-HNNXBMFYSA-N 1 2 309.435 1.316 40 0 DDABLO C[N@H+]1CCN(S(=O)(=O)N2CCCC2)C[C@H]1c1ccccc1 ZINC000257223652 407504052 /nfs/dbraw/zinc/50/40/52/407504052.db2.gz DYIKANVLZGWJPP-HNNXBMFYSA-N 1 2 309.435 1.316 40 0 DDABLO CCc1noc(CCC(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257252966 407521590 /nfs/dbraw/zinc/52/15/90/407521590.db2.gz JWYADRRYTCSBBL-NSHDSACASA-N 1 2 303.366 1.612 40 0 DDABLO Cc1nc(N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cc[nH+]1 ZINC000257259712 407523932 /nfs/dbraw/zinc/52/39/32/407523932.db2.gz KZQBGJBXLYQRPM-ZDUSSCGKSA-N 1 2 301.350 1.119 40 0 DDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2F)C[C@]12CCCO2 ZINC000257267735 407529452 /nfs/dbraw/zinc/52/94/52/407529452.db2.gz MIOPBFZACOPSQI-NVXWUHKLSA-N 1 2 322.380 1.952 40 0 DDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2F)C[C@]12CCCO2 ZINC000257267735 407529457 /nfs/dbraw/zinc/52/94/57/407529457.db2.gz MIOPBFZACOPSQI-NVXWUHKLSA-N 1 2 322.380 1.952 40 0 DDABLO C[C@]1(C(=O)N2CCOCC2)C[N@H+](Cc2ccsc2)CCO1 ZINC000072379731 191142476 /nfs/dbraw/zinc/14/24/76/191142476.db2.gz WYCWLJKHHZLLGQ-OAHLLOKOSA-N 1 2 310.419 1.198 40 0 DDABLO C[C@]1(C(=O)N2CCOCC2)C[N@@H+](Cc2ccsc2)CCO1 ZINC000072379731 191142479 /nfs/dbraw/zinc/14/24/79/191142479.db2.gz WYCWLJKHHZLLGQ-OAHLLOKOSA-N 1 2 310.419 1.198 40 0 DDABLO Cc1cc(N2CCC[C@@H]2c2[nH]ncc2C(=O)N(C)C)nc(N)[nH+]1 ZINC000072388631 191148269 /nfs/dbraw/zinc/14/82/69/191148269.db2.gz AMAHGGCISXIUCN-LLVKDONJSA-N 1 2 315.381 1.134 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000585111482 354809629 /nfs/dbraw/zinc/80/96/29/354809629.db2.gz BGVFXLOLYQLHAB-OAHLLOKOSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000585111482 354809631 /nfs/dbraw/zinc/80/96/31/354809631.db2.gz BGVFXLOLYQLHAB-OAHLLOKOSA-N 1 2 302.353 1.715 40 0 DDABLO COC[C@]1(CC(=O)N(C)C)C[N@H+](Cc2ccncc2C)CCO1 ZINC000585275776 354819674 /nfs/dbraw/zinc/81/96/74/354819674.db2.gz JOHPWIDZPRHRAB-KRWDZBQOSA-N 1 2 321.421 1.086 40 0 DDABLO COC[C@]1(CC(=O)N(C)C)C[N@@H+](Cc2ccncc2C)CCO1 ZINC000585275776 354819676 /nfs/dbraw/zinc/81/96/76/354819676.db2.gz JOHPWIDZPRHRAB-KRWDZBQOSA-N 1 2 321.421 1.086 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2c(C)n[nH]c2C)[nH+]1 ZINC000257281607 203010993 /nfs/dbraw/zinc/01/09/93/203010993.db2.gz OQCHMHPJKWFJHG-CQSZACIVSA-N 1 2 317.393 1.591 40 0 DDABLO CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)CC1 ZINC000257344304 203067478 /nfs/dbraw/zinc/06/74/78/203067478.db2.gz ZWNKNIVSQARSSR-OAHLLOKOSA-N 1 2 318.421 1.683 40 0 DDABLO C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000019657360 182135169 /nfs/dbraw/zinc/13/51/69/182135169.db2.gz UMBUELCJLPDARQ-AWEZNQCLSA-N 1 2 314.389 1.323 40 0 DDABLO CCOC[C@@H]1CN(C(=O)N(C)C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060342 286153125 /nfs/dbraw/zinc/15/31/25/286153125.db2.gz WTAFMHSUBLTWPG-ZDUSSCGKSA-N 1 2 306.410 1.910 40 0 DDABLO O=c1c2cnc(N3CCCCC3)nc2ccn1CCc1c[nH+]c[nH]1 ZINC000013638591 406864622 /nfs/dbraw/zinc/86/46/22/406864622.db2.gz UPCGFLJWRJJFJS-UHFFFAOYSA-N 1 2 324.388 1.748 40 0 DDABLO O=c1c2cnc(N3CCCCC3)nc2ccn1CCc1c[nH]c[nH+]1 ZINC000013638591 406864625 /nfs/dbraw/zinc/86/46/25/406864625.db2.gz UPCGFLJWRJJFJS-UHFFFAOYSA-N 1 2 324.388 1.748 40 0 DDABLO CCNc1nc(N2CC[NH+](CC)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000020801796 406888038 /nfs/dbraw/zinc/88/80/38/406888038.db2.gz VWOYUFVBFAKFMJ-LBPRGKRZSA-N 1 2 317.437 1.815 40 0 DDABLO CSc1nnc(-c2ccc(O)cc2)n1CC[NH+]1CCOCC1 ZINC000026417285 406904800 /nfs/dbraw/zinc/90/48/00/406904800.db2.gz IFNQTKFPORLXIZ-UHFFFAOYSA-N 1 2 320.418 1.705 40 0 DDABLO O=S(=O)(C1CC1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198938 407247810 /nfs/dbraw/zinc/24/78/10/407247810.db2.gz HUNGMJSYYNMBJH-UHFFFAOYSA-N 1 2 307.419 1.606 40 0 DDABLO c1cncc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@H]2CCCO2)c1 ZINC000107745269 407379309 /nfs/dbraw/zinc/37/93/09/407379309.db2.gz UYHYXKSCTDWULR-ZACQAIPSSA-N 1 2 303.406 1.146 40 0 DDABLO c1cncc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@H]2CCCO2)c1 ZINC000107745269 407379310 /nfs/dbraw/zinc/37/93/10/407379310.db2.gz UYHYXKSCTDWULR-ZACQAIPSSA-N 1 2 303.406 1.146 40 0 DDABLO COCC(=O)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000257198097 407490532 /nfs/dbraw/zinc/49/05/32/407490532.db2.gz SRDZGNLLUASZGF-UHFFFAOYSA-N 1 2 301.350 1.015 40 0 DDABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2ccn(C)n2)n1 ZINC000257222943 407503978 /nfs/dbraw/zinc/50/39/78/407503978.db2.gz DVFVVZFZMJAJRU-QGZVFWFLSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2ccn(C)n2)n1 ZINC000257222943 407503982 /nfs/dbraw/zinc/50/39/82/407503982.db2.gz DVFVVZFZMJAJRU-QGZVFWFLSA-N 1 2 313.405 1.788 40 0 DDABLO O=C(c1ccncc1)N1CCO[C@H]2[C@H]1CC[C@H]2Cn1cc[nH+]c1 ZINC000247859883 408514556 /nfs/dbraw/zinc/51/45/56/408514556.db2.gz MHCKZNFMOWLRLB-ARFHVFGLSA-N 1 2 312.373 1.598 40 0 DDABLO CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](Cc3ccsc3)C2)C1 ZINC000248010505 408525324 /nfs/dbraw/zinc/52/53/24/408525324.db2.gz PIAKSYHCYICQHM-AWEZNQCLSA-N 1 2 324.446 1.586 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@@H]2COc1ccccn1 ZINC000306144612 231091521 /nfs/dbraw/zinc/09/15/21/231091521.db2.gz ZKEVLRXBORABLY-CQSZACIVSA-N 1 2 308.345 1.708 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398542 353733676 /nfs/dbraw/zinc/73/36/76/353733676.db2.gz ASTMRLPYJIVQKR-FRRDWIJNSA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398542 353733680 /nfs/dbraw/zinc/73/36/80/353733680.db2.gz ASTMRLPYJIVQKR-FRRDWIJNSA-N 1 2 323.389 1.315 40 0 DDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1cn(C)c3ccccc13)C2 ZINC000585095003 354803765 /nfs/dbraw/zinc/80/37/65/354803765.db2.gz YZSNRISKMZNHCD-GFCCVEGCSA-N 1 2 324.384 1.471 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc(C)on1)[C@@H]2C ZINC000585097366 354804607 /nfs/dbraw/zinc/80/46/07/354804607.db2.gz JOYCXMRXQSCJLK-LLVKDONJSA-N 1 2 304.350 1.585 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cc(C)no1)[C@@H]2C ZINC000585097281 354805404 /nfs/dbraw/zinc/80/54/04/354805404.db2.gz HQKPKDDUVGMUOM-LLVKDONJSA-N 1 2 304.350 1.585 40 0 DDABLO Cc1ccccc1C[C@]1(CO)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585277294 354821782 /nfs/dbraw/zinc/82/17/82/354821782.db2.gz UAWKBFLMBNVPMZ-QGZVFWFLSA-N 1 2 301.390 1.524 40 0 DDABLO Cc1noc(C)c1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257270832 203000492 /nfs/dbraw/zinc/00/04/92/203000492.db2.gz MVVKMEUMKKWZES-GJZGRUSLSA-N 1 2 318.377 1.255 40 0 DDABLO COc1ccc([C@H]2CN(C(=O)c3cnn(C)c3)CC[N@@H+]2C)cc1 ZINC000257279173 203007609 /nfs/dbraw/zinc/00/76/09/203007609.db2.gz OFIWJJJRXVDOLY-MRXNPFEDSA-N 1 2 314.389 1.558 40 0 DDABLO COc1ccc([C@H]2CN(C(=O)c3cnn(C)c3)CC[N@H+]2C)cc1 ZINC000257279173 203007613 /nfs/dbraw/zinc/00/76/13/203007613.db2.gz OFIWJJJRXVDOLY-MRXNPFEDSA-N 1 2 314.389 1.558 40 0 DDABLO CNC(=O)[C@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+]1C(C)C ZINC000257282741 203011203 /nfs/dbraw/zinc/01/12/03/203011203.db2.gz OVCJWZHWBSKFDC-MRXNPFEDSA-N 1 2 317.433 1.286 40 0 DDABLO CNC(=O)[C@H]1CN(C(=O)CCc2ccccc2)CC[N@H+]1C(C)C ZINC000257282741 203011206 /nfs/dbraw/zinc/01/12/06/203011206.db2.gz OVCJWZHWBSKFDC-MRXNPFEDSA-N 1 2 317.433 1.286 40 0 DDABLO Cc1nc(CC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cs1 ZINC000257340441 203061846 /nfs/dbraw/zinc/06/18/46/203061846.db2.gz ZGDLZLWTKCVIKX-KBPBESRZSA-N 1 2 320.418 1.415 40 0 DDABLO CC(C)NC(=O)C[C@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096215752 407251109 /nfs/dbraw/zinc/25/11/09/407251109.db2.gz DBCNOYYBDIAAHK-YNEHKIRRSA-N 1 2 309.435 1.647 40 0 DDABLO CC(C)NC(=O)C[C@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096215752 407251111 /nfs/dbraw/zinc/25/11/11/407251111.db2.gz DBCNOYYBDIAAHK-YNEHKIRRSA-N 1 2 309.435 1.647 40 0 DDABLO Cc1nc(C[N@@H+]2C[C@H]3OC[C@@H](C(=O)NCC4CC4)[C@H]3C2)cs1 ZINC000096219549 407251904 /nfs/dbraw/zinc/25/19/04/407251904.db2.gz VYFAUNTVMRBFSR-RBSFLKMASA-N 1 2 321.446 1.425 40 0 DDABLO Cc1nc(C[N@H+]2C[C@H]3OC[C@@H](C(=O)NCC4CC4)[C@H]3C2)cs1 ZINC000096219549 407251906 /nfs/dbraw/zinc/25/19/06/407251906.db2.gz VYFAUNTVMRBFSR-RBSFLKMASA-N 1 2 321.446 1.425 40 0 DDABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@H+](CCF)C2)C1 ZINC000096226134 407253341 /nfs/dbraw/zinc/25/33/41/407253341.db2.gz WRNSJAFXAPTMJS-OAHLLOKOSA-N 1 2 306.341 1.519 40 0 DDABLO Cc1ncccc1NC(=O)C1=NO[C@]2(CC[N@@H+](CCF)C2)C1 ZINC000096226134 407253342 /nfs/dbraw/zinc/25/33/42/407253342.db2.gz WRNSJAFXAPTMJS-OAHLLOKOSA-N 1 2 306.341 1.519 40 0 DDABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096245890 407256491 /nfs/dbraw/zinc/25/64/91/407256491.db2.gz CVDLXQXSIRWEIK-CABCVRRESA-N 1 2 311.389 1.191 40 0 DDABLO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096245890 407256493 /nfs/dbraw/zinc/25/64/93/407256493.db2.gz CVDLXQXSIRWEIK-CABCVRRESA-N 1 2 311.389 1.191 40 0 DDABLO Cn1cc[nH+]c1CN1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000096245890 407256496 /nfs/dbraw/zinc/25/64/96/407256496.db2.gz CVDLXQXSIRWEIK-CABCVRRESA-N 1 2 311.389 1.191 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000096041554 407225486 /nfs/dbraw/zinc/22/54/86/407225486.db2.gz KAVBPSBQFJJDQS-SQWLQELKSA-N 1 2 308.378 1.116 40 0 DDABLO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000096041554 407225487 /nfs/dbraw/zinc/22/54/87/407225487.db2.gz KAVBPSBQFJJDQS-SQWLQELKSA-N 1 2 308.378 1.116 40 0 DDABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)N1CCCC1)C2 ZINC000096060261 407232222 /nfs/dbraw/zinc/23/22/22/407232222.db2.gz ZMCDCZZALMXFRY-CQSZACIVSA-N 1 2 318.421 1.962 40 0 DDABLO OCCNc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328968492 410027574 /nfs/dbraw/zinc/02/75/74/410027574.db2.gz DAGJBTUWARELBA-UHFFFAOYSA-N 1 2 304.781 1.999 40 0 DDABLO C[C@@H]1CCCCN1Cc1nnc(C[N@@H+]2CCCC[C@H]2C)n1N ZINC000260571845 333226898 /nfs/dbraw/zinc/22/68/98/333226898.db2.gz DROOCPPBMWYJOT-ZIAGYGMSSA-N 1 2 306.458 1.741 40 0 DDABLO C[C@@H]1CCCCN1Cc1nnc(C[N@H+]2CCCC[C@H]2C)n1N ZINC000260571845 333226899 /nfs/dbraw/zinc/22/68/99/333226899.db2.gz DROOCPPBMWYJOT-ZIAGYGMSSA-N 1 2 306.458 1.741 40 0 DDABLO CC(C)(c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1)n1cccc1 ZINC000409438640 568413388 /nfs/dbraw/zinc/41/33/88/568413388.db2.gz DJVLJWNHHZJXKE-JTQLQIEISA-N 1 2 312.395 1.089 40 0 DDABLO Cc1cc(N2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)nc[nH+]1 ZINC000072364097 191132740 /nfs/dbraw/zinc/13/27/40/191132740.db2.gz WCJHVQKFOFFZKO-NSHDSACASA-N 1 2 321.406 1.296 40 0 DDABLO COCCn1cnnc1[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000072364112 191132886 /nfs/dbraw/zinc/13/28/86/191132886.db2.gz HUWIKPCCIBAAQB-CYBMUJFWSA-N 1 2 302.382 1.755 40 0 DDABLO O=C(NC1CCC1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096037 354803935 /nfs/dbraw/zinc/80/39/35/354803935.db2.gz NZJQDHYJLCLFQA-CQSZACIVSA-N 1 2 302.378 1.235 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@H+](Cc1ccncc1)C2 ZINC000585110763 354809433 /nfs/dbraw/zinc/80/94/33/354809433.db2.gz CFKRMCAMWBFKEE-AWEZNQCLSA-N 1 2 311.389 1.147 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)N1CCC1)C[N@@H+](Cc1ccncc1)C2 ZINC000585110763 354809435 /nfs/dbraw/zinc/80/94/35/354809435.db2.gz CFKRMCAMWBFKEE-AWEZNQCLSA-N 1 2 311.389 1.147 40 0 DDABLO Cc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)no1 ZINC000585269453 354818673 /nfs/dbraw/zinc/81/86/73/354818673.db2.gz VBLRZMXCPSDEFW-QGZVFWFLSA-N 1 2 318.373 1.625 40 0 DDABLO Cc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)no1 ZINC000585269453 354818674 /nfs/dbraw/zinc/81/86/74/354818674.db2.gz VBLRZMXCPSDEFW-QGZVFWFLSA-N 1 2 318.373 1.625 40 0 DDABLO CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585276067 354820833 /nfs/dbraw/zinc/82/08/33/354820833.db2.gz LPZBNZBZGBSZCJ-MRXNPFEDSA-N 1 2 308.426 1.568 40 0 DDABLO CO[C@@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585276067 354820835 /nfs/dbraw/zinc/82/08/35/354820835.db2.gz LPZBNZBZGBSZCJ-MRXNPFEDSA-N 1 2 308.426 1.568 40 0 DDABLO O=C(Cn1cc[nH+]c1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585277712 354821255 /nfs/dbraw/zinc/82/12/55/354821255.db2.gz OHLDLJUSQCFAPF-INIZCTEOSA-N 1 2 319.336 1.065 40 0 DDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)[nH+]1 ZINC000257307707 203031128 /nfs/dbraw/zinc/03/11/28/203031128.db2.gz SZXCRPGASDFKKX-CQSZACIVSA-N 1 2 318.421 1.827 40 0 DDABLO O=C(Cc1ccccc1F)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257309284 203034290 /nfs/dbraw/zinc/03/42/90/203034290.db2.gz UAIFRDSSGVWYTI-HOTGVXAUSA-N 1 2 317.364 1.789 40 0 DDABLO CCn1nc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)cc1C ZINC000257279234 203009149 /nfs/dbraw/zinc/00/91/49/203009149.db2.gz OFRKJYYAJNQTBV-CYBMUJFWSA-N 1 2 301.394 1.883 40 0 DDABLO CC(C)c1cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)on1 ZINC000257337754 203059852 /nfs/dbraw/zinc/05/98/52/203059852.db2.gz YUFDQNDFNRIWSD-KBPBESRZSA-N 1 2 318.377 1.833 40 0 DDABLO COc1cc(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)ccc1O ZINC000019576595 182131663 /nfs/dbraw/zinc/13/16/63/182131663.db2.gz SBPTUYZZUPKZBG-UHFFFAOYSA-N 1 2 301.346 1.763 40 0 DDABLO COc1cc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)ccc1O ZINC000019576595 182131665 /nfs/dbraw/zinc/13/16/65/182131665.db2.gz SBPTUYZZUPKZBG-UHFFFAOYSA-N 1 2 301.346 1.763 40 0 DDABLO CSc1ncc(Cl)c(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000040802925 183135990 /nfs/dbraw/zinc/13/59/90/183135990.db2.gz MYYMUZXCEDHYTJ-UHFFFAOYSA-N 1 2 311.798 1.869 40 0 DDABLO COc1ccc2[nH]cc(NC(=O)N3CC[NH+](C)CC3)c(=O)c2c1 ZINC000013565898 406862559 /nfs/dbraw/zinc/86/25/59/406862559.db2.gz WYCMAWUGARSAEC-UHFFFAOYSA-N 1 2 316.361 1.316 40 0 DDABLO COc1ccc(CNC(=O)[C@@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000014014652 406870069 /nfs/dbraw/zinc/87/00/69/406870069.db2.gz ZDJHWBPZRPVRFH-MELADBBJSA-N 1 2 306.406 1.809 40 0 DDABLO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@@H+]1CCOC[C@@H]1C ZINC000079028977 407049250 /nfs/dbraw/zinc/04/92/50/407049250.db2.gz KBCRAKQMYGMZRS-KKUMJFAQSA-N 1 2 320.437 1.893 40 0 DDABLO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccnc1)[N@H+]1CCOC[C@@H]1C ZINC000079028977 407049253 /nfs/dbraw/zinc/04/92/53/407049253.db2.gz KBCRAKQMYGMZRS-KKUMJFAQSA-N 1 2 320.437 1.893 40 0 DDABLO CN(C)C(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062492 407232453 /nfs/dbraw/zinc/23/24/53/407232453.db2.gz XNLZVZHXYLXKSC-INIZCTEOSA-N 1 2 304.394 1.292 40 0 DDABLO O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000096073908 407235464 /nfs/dbraw/zinc/23/54/64/407235464.db2.gz ALABZIVCALRDNJ-ZBFHGGJFSA-N 1 2 304.394 1.895 40 0 DDABLO C[N@H+](Cc1cncnc1)[C@@H]1CN(C(=O)C2CC2)[C@@H]2CCCO[C@H]12 ZINC000096186022 407246174 /nfs/dbraw/zinc/24/61/74/407246174.db2.gz RPNIYQOWDKDJCQ-OAGGEKHMSA-N 1 2 316.405 1.077 40 0 DDABLO C[N@@H+](Cc1cncnc1)[C@@H]1CN(C(=O)C2CC2)[C@@H]2CCCO[C@H]12 ZINC000096186022 407246176 /nfs/dbraw/zinc/24/61/76/407246176.db2.gz RPNIYQOWDKDJCQ-OAGGEKHMSA-N 1 2 316.405 1.077 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1cccnc1 ZINC000067897128 407289161 /nfs/dbraw/zinc/28/91/61/407289161.db2.gz BIEUMXQQKYVNEY-CVEARBPZSA-N 1 2 313.357 1.286 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1cccnc1 ZINC000067897128 407289162 /nfs/dbraw/zinc/28/91/62/407289162.db2.gz BIEUMXQQKYVNEY-CVEARBPZSA-N 1 2 313.357 1.286 40 0 biogenic,in-vitro DDABLO c1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@H]2CCCO2)ccn1 ZINC000107745279 407379483 /nfs/dbraw/zinc/37/94/83/407379483.db2.gz MDUDVXMBYWJNLD-ZACQAIPSSA-N 1 2 303.406 1.146 40 0 DDABLO c1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@H]2CCCO2)ccn1 ZINC000107745279 407379484 /nfs/dbraw/zinc/37/94/84/407379484.db2.gz MDUDVXMBYWJNLD-ZACQAIPSSA-N 1 2 303.406 1.146 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257264765 407527663 /nfs/dbraw/zinc/52/76/63/407527663.db2.gz LVYGNJPGDZROCZ-CYBMUJFWSA-N 1 2 324.388 1.791 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cnn3cccnc23)[nH+]1 ZINC000257271515 407530609 /nfs/dbraw/zinc/53/06/09/407530609.db2.gz MYQCPQLPTZGWRC-ZDUSSCGKSA-N 1 2 310.361 1.749 40 0 DDABLO CCOC(=O)[C@@H]1Cn2c[nH+]cc2CN(C(=O)OC(C)(C)C)C1 ZINC000306141966 409771145 /nfs/dbraw/zinc/77/11/45/409771145.db2.gz WLIXGQMIMFMQML-NSHDSACASA-N 1 2 309.366 1.813 40 0 DDABLO C[C@H](CO)Nc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000328967237 410024290 /nfs/dbraw/zinc/02/42/90/410024290.db2.gz CRUVORQYBAQGHE-SNVBAGLBSA-N 1 2 302.353 1.873 40 0 DDABLO C[C@@H](CO)Nc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329062387 410079753 /nfs/dbraw/zinc/07/97/53/410079753.db2.gz WXHZBRABCMMFTH-JTQLQIEISA-N 1 2 302.353 1.873 40 0 DDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2[nH]c3ccc(F)cc3c2C)CCO1 ZINC000072379700 277255425 /nfs/dbraw/zinc/25/54/25/277255425.db2.gz FRQOZGJSLWFFKN-KRWDZBQOSA-N 1 2 319.380 1.952 40 0 DDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)CCO1 ZINC000072379700 277255426 /nfs/dbraw/zinc/25/54/26/277255426.db2.gz FRQOZGJSLWFFKN-KRWDZBQOSA-N 1 2 319.380 1.952 40 0 DDABLO O=S(=O)(c1cccnc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000072368781 191138003 /nfs/dbraw/zinc/13/80/03/191138003.db2.gz HPVFITABSICYLC-UHFFFAOYSA-N 1 2 318.402 1.378 40 0 DDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1c(C)noc1C ZINC000585094803 354802917 /nfs/dbraw/zinc/80/29/17/354802917.db2.gz NLQPCISSSRXWFA-GFCCVEGCSA-N 1 2 318.377 1.629 40 0 DDABLO Cc1ccc(C[C@@]2(CO)C[N@H+](Cc3cnccn3)CCO2)cc1 ZINC000585275881 354819338 /nfs/dbraw/zinc/81/93/38/354819338.db2.gz KIUPCCMOJSHEFO-SFHVURJKSA-N 1 2 313.401 1.591 40 0 DDABLO Cc1ccc(C[C@@]2(CO)C[N@@H+](Cc3cnccn3)CCO2)cc1 ZINC000585275881 354819342 /nfs/dbraw/zinc/81/93/42/354819342.db2.gz KIUPCCMOJSHEFO-SFHVURJKSA-N 1 2 313.401 1.591 40 0 DDABLO CCCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC)c1ccccc1 ZINC000096112982 283380859 /nfs/dbraw/zinc/38/08/59/283380859.db2.gz XYPLFMPLIUZULG-LSDHHAIUSA-N 1 2 303.406 1.464 40 0 biogenic,in-vitro DDABLO CCCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC)c1ccccc1 ZINC000096112982 283380864 /nfs/dbraw/zinc/38/08/64/283380864.db2.gz XYPLFMPLIUZULG-LSDHHAIUSA-N 1 2 303.406 1.464 40 0 biogenic,in-vitro DDABLO CC(=O)NCc1ccnc([C@H]2CCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257289513 203015907 /nfs/dbraw/zinc/01/59/07/203015907.db2.gz PYYUIRLSPGDPAI-OAHLLOKOSA-N 1 2 314.393 1.183 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@H+](C)C[C@H]3C2)cc1 ZINC000107200928 292100227 /nfs/dbraw/zinc/10/02/27/292100227.db2.gz GJBBABZNKMXDKN-SJORKVTESA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@@H+](C)C[C@H]3C2)cc1 ZINC000107200928 292100229 /nfs/dbraw/zinc/10/02/29/292100229.db2.gz GJBBABZNKMXDKN-SJORKVTESA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@H]3C2)cc1 ZINC000107200928 292100231 /nfs/dbraw/zinc/10/02/31/292100231.db2.gz GJBBABZNKMXDKN-SJORKVTESA-N 1 2 317.433 1.127 40 0 DDABLO Cc1ccc(C[N@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@H]3C2)cc1 ZINC000107200928 292100233 /nfs/dbraw/zinc/10/02/33/292100233.db2.gz GJBBABZNKMXDKN-SJORKVTESA-N 1 2 317.433 1.127 40 0 DDABLO C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCc1[nH]cc[nH+]1 ZINC000019576293 406886556 /nfs/dbraw/zinc/88/65/56/406886556.db2.gz CVLGOIGGJZRNLX-OGHNNQOOSA-N 1 2 324.340 1.113 40 0 DDABLO NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)o1 ZINC000049448494 407121062 /nfs/dbraw/zinc/12/10/62/407121062.db2.gz TUABAICCQZQEQT-UHFFFAOYSA-N 1 2 303.347 1.309 40 0 DDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCC(C)C)[C@@H](C2)O3)o1 ZINC000096252915 407257001 /nfs/dbraw/zinc/25/70/01/407257001.db2.gz PENVAUSJORYEHT-OWCLPIDISA-N 1 2 306.406 1.950 40 0 DDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCC(C)C)[C@@H](C2)O3)o1 ZINC000096252915 407257002 /nfs/dbraw/zinc/25/70/02/407257002.db2.gz PENVAUSJORYEHT-OWCLPIDISA-N 1 2 306.406 1.950 40 0 DDABLO CCOC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1cccnc1OC ZINC000096197739 407247294 /nfs/dbraw/zinc/24/72/94/407247294.db2.gz JFNURUVOPROUNZ-OAHLLOKOSA-N 1 2 316.405 1.960 40 0 DDABLO CCOC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1cccnc1OC ZINC000096197739 407247295 /nfs/dbraw/zinc/24/72/95/407247295.db2.gz JFNURUVOPROUNZ-OAHLLOKOSA-N 1 2 316.405 1.960 40 0 DDABLO Cc1[nH+]c[nH]c1C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1 ZINC000257225628 407503821 /nfs/dbraw/zinc/50/38/21/407503821.db2.gz FHBNPYZXLQWLEI-HUUCEWRRSA-N 1 2 317.345 1.040 40 0 DDABLO Cc1[nH+]c[nH]c1C[N@H+]1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1 ZINC000257225628 407503825 /nfs/dbraw/zinc/50/38/25/407503825.db2.gz FHBNPYZXLQWLEI-HUUCEWRRSA-N 1 2 317.345 1.040 40 0 DDABLO Cc1cc2nc(C3CC[NH+](Cc4ncc[nH]4)CC3)cc(=O)n2[nH]1 ZINC000257251252 407521638 /nfs/dbraw/zinc/52/16/38/407521638.db2.gz JPZTUXNQAVESNQ-UHFFFAOYSA-N 1 2 312.377 1.846 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3c(c2)OCO3)[nH+]1 ZINC000257342276 301025276 /nfs/dbraw/zinc/02/52/76/301025276.db2.gz ZNXUGPGZAZARGQ-GFCCVEGCSA-N 1 2 315.329 1.661 40 0 DDABLO CC[C@H](Oc1ccc(C)cc1C)C(=O)NCC[NH+]1CCOCC1 ZINC000222961867 539265556 /nfs/dbraw/zinc/26/55/56/539265556.db2.gz FZFZABBXTJTHIS-INIZCTEOSA-N 1 2 320.433 1.909 40 0 DDABLO S=C(NC[C@H]1CCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225226272 539266035 /nfs/dbraw/zinc/26/60/35/539266035.db2.gz SQKPHCITODRTSO-OAHLLOKOSA-N 1 2 320.462 1.253 40 0 DDABLO C[NH+]1CCC([NH+]2CCC(c3cc(=O)n4[n-]ccc4n3)CC2)CC1 ZINC000257267638 282697262 /nfs/dbraw/zinc/69/72/62/282697262.db2.gz MIEZCKIMMNPSLM-UHFFFAOYSA-N 1 2 315.421 1.709 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072367853 191136954 /nfs/dbraw/zinc/13/69/54/191136954.db2.gz FWZFTPFVMAWZTJ-CYBMUJFWSA-N 1 2 312.373 1.934 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072367853 191136951 /nfs/dbraw/zinc/13/69/51/191136951.db2.gz FWZFTPFVMAWZTJ-CYBMUJFWSA-N 1 2 312.373 1.934 40 0 DDABLO O=C1N(CC2CC2)CC[C@]12C[N@@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093493 354803167 /nfs/dbraw/zinc/80/31/67/354803167.db2.gz ZRQQZWRAVGENFA-HNNXBMFYSA-N 1 2 324.375 1.879 40 0 DDABLO O=C1N(CC2CC2)CC[C@]12C[N@H+](Cc1cn[nH]c1)CC(F)(F)C2 ZINC000585093493 354803171 /nfs/dbraw/zinc/80/31/71/354803171.db2.gz ZRQQZWRAVGENFA-HNNXBMFYSA-N 1 2 324.375 1.879 40 0 DDABLO Cc1cncc(OC[C@H]2Cc3c(ncn3C)C[N@@H+]2C2CCC2)n1 ZINC000585094930 354803600 /nfs/dbraw/zinc/80/36/00/354803600.db2.gz USVWNSWWAYAUAJ-CQSZACIVSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cncc(OC[C@H]2Cc3c(ncn3C)C[N@H+]2C2CCC2)n1 ZINC000585094930 354803603 /nfs/dbraw/zinc/80/36/03/354803603.db2.gz USVWNSWWAYAUAJ-CQSZACIVSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1cncc(OC[C@H]2Cc3c([nH+]cn3C)CN2C2CCC2)n1 ZINC000585094930 354803606 /nfs/dbraw/zinc/80/36/06/354803606.db2.gz USVWNSWWAYAUAJ-CQSZACIVSA-N 1 2 313.405 1.877 40 0 DDABLO Cc1ccc(OCC(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)cc1 ZINC000585094682 354803623 /nfs/dbraw/zinc/80/36/23/354803623.db2.gz HGNNYZAWCXJPOH-ZDUSSCGKSA-N 1 2 315.373 1.053 40 0 DDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C ZINC000585096981 354805072 /nfs/dbraw/zinc/80/50/72/354805072.db2.gz DCNXZGNFDXYQOU-GFCCVEGCSA-N 1 2 315.377 1.387 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1ccccc1)C2 ZINC000585110907 354809530 /nfs/dbraw/zinc/80/95/30/354809530.db2.gz YBNVJDTYQAYQOU-OAHLLOKOSA-N 1 2 310.401 1.752 40 0 DDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1ccccc1)C2 ZINC000585110907 354809533 /nfs/dbraw/zinc/80/95/33/354809533.db2.gz YBNVJDTYQAYQOU-OAHLLOKOSA-N 1 2 310.401 1.752 40 0 DDABLO Cc1cccc(C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)c1 ZINC000585279482 354822471 /nfs/dbraw/zinc/82/24/71/354822471.db2.gz MTPPBVLGRIURGF-WBVHZDCISA-N 1 2 313.401 1.713 40 0 DDABLO Cc1c(C[NH2+]Cc2ccnn2CCF)cnn1CC(F)F ZINC000256054017 202923500 /nfs/dbraw/zinc/92/35/00/202923500.db2.gz UQFKGKIVWCMWJE-UHFFFAOYSA-N 1 2 301.316 1.912 40 0 DDABLO C[NH+](C)Cc1cnc([C@H]2CN(CCC(F)(F)F)CCO2)[nH]1 ZINC000257303077 203027963 /nfs/dbraw/zinc/02/79/63/203027963.db2.gz SFRFULVWDVZTIA-LLVKDONJSA-N 1 2 306.332 1.797 40 0 DDABLO O=C(CCn1cc[nH+]c1)NCc1cnc([C@H]2CCCCO2)nc1 ZINC000257335600 203057377 /nfs/dbraw/zinc/05/73/77/203057377.db2.gz YLADXSYJWFIZOI-CQSZACIVSA-N 1 2 315.377 1.621 40 0 DDABLO Cc1nc(CC(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)cs1 ZINC000257343462 203064743 /nfs/dbraw/zinc/06/47/43/203064743.db2.gz ZTDIIWSXFAIMAY-YRGRVCCFSA-N 1 2 306.391 1.071 40 0 DDABLO c1cnc(N2CCC[C@]3(CN(c4cccc[nH+]4)CCO3)C2)nc1 ZINC000096226459 296615662 /nfs/dbraw/zinc/61/56/62/296615662.db2.gz ZISNDCUQJPVWOU-KRWDZBQOSA-N 1 2 311.389 1.747 40 0 DDABLO CCOC(=O)N1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000031923748 406943456 /nfs/dbraw/zinc/94/34/56/406943456.db2.gz ZHWBSKUFVXEUFG-ZDUSSCGKSA-N 1 2 306.362 1.601 40 0 DDABLO c1cnn(Cc2ncn3c2C[N@H+](Cc2ccccn2)CCC3)c1 ZINC000096259469 407257560 /nfs/dbraw/zinc/25/75/60/407257560.db2.gz YAWVPYXQMDILKM-UHFFFAOYSA-N 1 2 308.389 1.929 40 0 DDABLO c1cnn(Cc2ncn3c2C[N@@H+](Cc2ccccn2)CCC3)c1 ZINC000096259469 407257563 /nfs/dbraw/zinc/25/75/63/407257563.db2.gz YAWVPYXQMDILKM-UHFFFAOYSA-N 1 2 308.389 1.929 40 0 DDABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)c2ccco2)CC1 ZINC000096037005 407224261 /nfs/dbraw/zinc/22/42/61/407224261.db2.gz IXYJGGDKTIMJMP-UHFFFAOYSA-N 1 2 314.389 1.861 40 0 DDABLO O=C(c1ccccn1)N1CCC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096048583 407227237 /nfs/dbraw/zinc/22/72/37/407227237.db2.gz LQOHZPPQJKHWBY-WMLDXEAASA-N 1 2 312.373 1.915 40 0 DDABLO OCCc1cc(CC2([NH2+]Cc3ccccc3F)COC2)no1 ZINC000067897750 407289504 /nfs/dbraw/zinc/28/95/04/407289504.db2.gz FLJHEIUCAXOSNW-UHFFFAOYSA-N 1 2 306.337 1.450 40 0 biogenic,in-vitro DDABLO Cn1nccc1C[N@@H+]1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257228376 407506940 /nfs/dbraw/zinc/50/69/40/407506940.db2.gz FTOODHHXXOMBFO-HOTGVXAUSA-N 1 2 312.373 1.036 40 0 DDABLO Cn1nccc1C[N@H+]1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257228376 407506941 /nfs/dbraw/zinc/50/69/41/407506941.db2.gz FTOODHHXXOMBFO-HOTGVXAUSA-N 1 2 312.373 1.036 40 0 DDABLO OC1(c2csc(C[NH+]3CCC3)n2)CCN(C2COC2)CC1 ZINC000225422004 407583118 /nfs/dbraw/zinc/58/31/18/407583118.db2.gz NGZQZTOVVLIHKB-UHFFFAOYSA-N 1 2 309.435 1.031 40 0 biogenic,in-vitro DDABLO CN(C(=O)CN1CCCC1=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257267410 407528586 /nfs/dbraw/zinc/52/85/86/407528586.db2.gz MHEREELYDIAMQM-AWEZNQCLSA-N 1 2 316.405 1.131 40 0 DDABLO COc1cccc(OC)c1CCC(=O)NCC[NH+]1CCOCC1 ZINC000225996042 407612538 /nfs/dbraw/zinc/61/25/38/407612538.db2.gz BNXZCIAWOMSPMQ-UHFFFAOYSA-N 1 2 322.405 1.085 40 0 DDABLO OCCNc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000328964938 410023955 /nfs/dbraw/zinc/02/39/55/410023955.db2.gz BYUJUNYIONHMID-UHFFFAOYSA-N 1 2 310.357 1.597 40 0 DDABLO CC(C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000328957946 529112540 /nfs/dbraw/zinc/11/25/40/529112540.db2.gz AMPBNBZHRJJSMG-AWEZNQCLSA-N 1 2 313.405 1.794 40 0 DDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 ZINC000072363501 191132920 /nfs/dbraw/zinc/13/29/20/191132920.db2.gz OOGYCEWPQWTAIZ-GFCCVEGCSA-N 1 2 312.377 1.280 40 0 DDABLO NC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Nc2ccccn2)C1 ZINC000072363501 191132921 /nfs/dbraw/zinc/13/29/21/191132921.db2.gz OOGYCEWPQWTAIZ-GFCCVEGCSA-N 1 2 312.377 1.280 40 0 DDABLO COCCNc1cc(C2CCN(S(C)(=O)=O)CC2)cc[nH+]1 ZINC000072364905 191134641 /nfs/dbraw/zinc/13/46/41/191134641.db2.gz JHZPROHEZUOVBC-UHFFFAOYSA-N 1 2 313.423 1.279 40 0 DDABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CC2)C1 ZINC000585095719 354804018 /nfs/dbraw/zinc/80/40/18/354804018.db2.gz FTISZABKWMAMFP-CQSZACIVSA-N 1 2 304.394 1.339 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000585111886 354810125 /nfs/dbraw/zinc/81/01/25/354810125.db2.gz IFQPUTMVOKPICD-OAHLLOKOSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000585111886 354810129 /nfs/dbraw/zinc/81/01/29/354810129.db2.gz IFQPUTMVOKPICD-OAHLLOKOSA-N 1 2 302.353 1.715 40 0 DDABLO Cc1cc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)nc2ccnn21 ZINC000257217013 202952273 /nfs/dbraw/zinc/95/22/73/202952273.db2.gz CXCLCODQFHAAGW-UHFFFAOYSA-N 1 2 324.388 1.640 40 0 DDABLO CC[C@H](Oc1ccc(F)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000038754378 183008529 /nfs/dbraw/zinc/00/85/29/183008529.db2.gz VQSZPRORCDVAIB-HNNXBMFYSA-N 1 2 310.369 1.432 40 0 DDABLO CCc1nc2c(nnn2Cc2ccccc2Cl)c(NN)[nH+]1 ZINC000005002104 406728743 /nfs/dbraw/zinc/72/87/43/406728743.db2.gz XNLDZKIHYRQWJF-UHFFFAOYSA-N 1 2 303.757 1.771 40 0 DDABLO CC1CCN(C(=O)C[NH+]2CC(c3nc(C4CC4)no3)C2)CC1 ZINC000075156382 406924990 /nfs/dbraw/zinc/92/49/90/406924990.db2.gz RGXRTKFIXYXGHI-UHFFFAOYSA-N 1 2 304.394 1.605 40 0 DDABLO C[NH+]1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1 ZINC000096264592 407258096 /nfs/dbraw/zinc/25/80/96/407258096.db2.gz XLZNQAAEJHALJK-UHFFFAOYSA-N 1 2 319.430 1.435 40 0 DDABLO COC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2[nH+]cn(C)c21 ZINC000096044804 407226183 /nfs/dbraw/zinc/22/61/83/407226183.db2.gz QMXZYDWSXZXGHK-LBPRGKRZSA-N 1 2 302.378 1.751 40 0 DDABLO CC(=O)N1CCOC[C@@]2(C[N@H+](Cc3cccs3)CCO2)C1 ZINC000096049900 407228029 /nfs/dbraw/zinc/22/80/29/407228029.db2.gz YIVZTUPNLVHYLL-OAHLLOKOSA-N 1 2 310.419 1.198 40 0 DDABLO CC(=O)N1CCOC[C@@]2(C[N@@H+](Cc3cccs3)CCO2)C1 ZINC000096049900 407228030 /nfs/dbraw/zinc/22/80/30/407228030.db2.gz YIVZTUPNLVHYLL-OAHLLOKOSA-N 1 2 310.419 1.198 40 0 DDABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1ccc(F)cc1)C2 ZINC000096084447 407235991 /nfs/dbraw/zinc/23/59/91/407235991.db2.gz JGBQGJAFZCXWGC-UHFFFAOYSA-N 1 2 302.353 1.777 40 0 DDABLO COC[C@H]1C[N@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198199 407247687 /nfs/dbraw/zinc/24/76/87/407247687.db2.gz CYZNTLCLXRTRGM-CQSZACIVSA-N 1 2 302.378 1.570 40 0 DDABLO COC[C@H]1C[N@@H+](Cc2cccnc2OC)Cc2cnn(C)c21 ZINC000096198199 407247688 /nfs/dbraw/zinc/24/76/88/407247688.db2.gz CYZNTLCLXRTRGM-CQSZACIVSA-N 1 2 302.378 1.570 40 0 DDABLO Cn1cc(C[N@@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)cn1 ZINC000096197765 407247729 /nfs/dbraw/zinc/24/77/29/407247729.db2.gz CMHKHRBJFJVTDM-INIZCTEOSA-N 1 2 315.421 1.680 40 0 DDABLO Cn1cc(C[N@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)cn1 ZINC000096197765 407247731 /nfs/dbraw/zinc/24/77/31/407247731.db2.gz CMHKHRBJFJVTDM-INIZCTEOSA-N 1 2 315.421 1.680 40 0 DDABLO O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1Cc1ccccc1 ZINC000067897091 407289011 /nfs/dbraw/zinc/28/90/11/407289011.db2.gz JBYUWGOHKWGFHP-CABCVRRESA-N 1 2 312.373 1.022 40 0 biogenic,in-vitro DDABLO O=C(COc1cccc2cccnc21)NCC[NH+]1CCOCC1 ZINC000206997986 407475483 /nfs/dbraw/zinc/47/54/83/407475483.db2.gz LBCWYMBVAQWQQO-UHFFFAOYSA-N 1 2 315.373 1.062 40 0 DDABLO Cn1c[nH+]cc1-c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257201482 407490841 /nfs/dbraw/zinc/49/08/41/407490841.db2.gz AHVZKIOFOOKRIW-LBPRGKRZSA-N 1 2 320.418 1.621 40 0 DDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@@H](O)CC2)cn1 ZINC000257219408 407499586 /nfs/dbraw/zinc/49/95/86/407499586.db2.gz DGRDTACMZGZTNC-CQSZACIVSA-N 1 2 314.389 1.817 40 0 DDABLO CC(C)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000225450695 407586161 /nfs/dbraw/zinc/58/61/61/407586161.db2.gz TXDFSNOIZURNKT-UHFFFAOYSA-N 1 2 306.410 1.151 40 0 DDABLO CCc1noc(C)c1C(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257266923 407525854 /nfs/dbraw/zinc/52/58/54/407525854.db2.gz MFEDERRTQIVONS-GFCCVEGCSA-N 1 2 304.350 1.791 40 0 DDABLO O=C(CC1CC1)NC[C@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21 ZINC000247851285 408512354 /nfs/dbraw/zinc/51/23/54/408512354.db2.gz IXDOVVHCFCNZSV-INIZCTEOSA-N 1 2 314.389 1.949 40 0 DDABLO Cn1nccc1C1=CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329333050 410238628 /nfs/dbraw/zinc/23/86/28/410238628.db2.gz WYIWHBDWSLRFNJ-CQSZACIVSA-N 1 2 311.389 1.495 40 0 DDABLO CN(C)C(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062493 288981356 /nfs/dbraw/zinc/98/13/56/288981356.db2.gz XNLZVZHXYLXKSC-MRXNPFEDSA-N 1 2 304.394 1.292 40 0 DDABLO CCN1CC[C@@]2(C[N@H+](Cc3cc(C)n[nH]3)CC(F)(F)C2)C1=O ZINC000585093402 483922019 /nfs/dbraw/zinc/92/20/19/483922019.db2.gz UVPQHOYGHZBFGA-CQSZACIVSA-N 1 2 312.364 1.798 40 0 DDABLO CCN1CC[C@@]2(C[N@@H+](Cc3cc(C)n[nH]3)CC(F)(F)C2)C1=O ZINC000585093402 483922025 /nfs/dbraw/zinc/92/20/25/483922025.db2.gz UVPQHOYGHZBFGA-CQSZACIVSA-N 1 2 312.364 1.798 40 0 DDABLO O=C(c1ccccn1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306144570 534753284 /nfs/dbraw/zinc/75/32/84/534753284.db2.gz ZJCNMCRIIWURRF-SQWLQELKSA-N 1 2 324.384 1.676 40 0 DDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@@H]2COCc1cccnc1 ZINC000306136377 231089708 /nfs/dbraw/zinc/08/97/08/231089708.db2.gz PSADAANSVGBAOU-MRXNPFEDSA-N 1 2 322.372 1.846 40 0 DDABLO CCC(CC)C(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(C)=O)CC2(C)C ZINC000253396518 186304871 /nfs/dbraw/zinc/30/48/71/186304871.db2.gz DWXPJHQTYKHGLG-HNNXBMFYSA-N 1 2 309.454 1.576 40 0 biogenic,in-vitro DDABLO CCC(CC)C(=O)N1CC[N@H+]2[C@@H](C1)CN(C(C)=O)CC2(C)C ZINC000253396518 186304873 /nfs/dbraw/zinc/30/48/73/186304873.db2.gz DWXPJHQTYKHGLG-HNNXBMFYSA-N 1 2 309.454 1.576 40 0 biogenic,in-vitro DDABLO Cn1cnc2c1[C@@H](C(=O)NC1CC1)C[N@H+](Cc1cccs1)C2 ZINC000585110927 354809657 /nfs/dbraw/zinc/80/96/57/354809657.db2.gz ZUPRZRROAAQNJD-ZDUSSCGKSA-N 1 2 316.430 1.860 40 0 DDABLO Cn1cnc2c1[C@@H](C(=O)NC1CC1)C[N@@H+](Cc1cccs1)C2 ZINC000585110927 354809660 /nfs/dbraw/zinc/80/96/60/354809660.db2.gz ZUPRZRROAAQNJD-ZDUSSCGKSA-N 1 2 316.430 1.860 40 0 DDABLO Cc1nc(N2CC[C@](O)(COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000585274342 354818687 /nfs/dbraw/zinc/81/86/87/354818687.db2.gz JFJDMZBWODRIPQ-MRXNPFEDSA-N 1 2 303.337 1.944 40 0 DDABLO CC1(C)C[C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[C@@H]2O1 ZINC000585291001 354824849 /nfs/dbraw/zinc/82/48/49/354824849.db2.gz KFOPAHATBLACSA-RYIMYRPNSA-N 1 2 308.422 1.291 40 0 DDABLO Cc1nc(/C=C/C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)cs1 ZINC000585290739 354825008 /nfs/dbraw/zinc/82/50/08/354825008.db2.gz WIKAAQYXDAMHSB-YNSOIIGYSA-N 1 2 318.402 1.542 40 0 DDABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257273914 203002424 /nfs/dbraw/zinc/00/24/24/203002424.db2.gz NITJEPQCLCWYLO-ZDUSSCGKSA-N 1 2 320.418 1.781 40 0 DDABLO Cc1ncsc1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257273914 203002427 /nfs/dbraw/zinc/00/24/27/203002427.db2.gz NITJEPQCLCWYLO-ZDUSSCGKSA-N 1 2 320.418 1.781 40 0 DDABLO O=C(CCn1cc[nH+]c1)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257273424 203002896 /nfs/dbraw/zinc/00/28/96/203002896.db2.gz NGNBCEQLGGITOZ-CYBMUJFWSA-N 1 2 315.377 1.274 40 0 DDABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257293018 203016996 /nfs/dbraw/zinc/01/69/96/203016996.db2.gz QNUYIQUXBXERME-RDJZCZTQSA-N 1 2 322.380 1.688 40 0 DDABLO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257293018 203017000 /nfs/dbraw/zinc/01/70/00/203017000.db2.gz QNUYIQUXBXERME-RDJZCZTQSA-N 1 2 322.380 1.688 40 0 DDABLO c1c[nH]c(C[N@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257343022 203063887 /nfs/dbraw/zinc/06/38/87/203063887.db2.gz ZRBWSJIXRBMGSI-CQSZACIVSA-N 1 2 311.389 1.977 40 0 DDABLO c1c[nH]c(C[N@@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257343022 203063892 /nfs/dbraw/zinc/06/38/92/203063892.db2.gz ZRBWSJIXRBMGSI-CQSZACIVSA-N 1 2 311.389 1.977 40 0 DDABLO Cc1ccc(N2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)[nH+]c1 ZINC000257343079 203063923 /nfs/dbraw/zinc/06/39/23/203063923.db2.gz ZRKIYUYUVTUEIJ-GFCCVEGCSA-N 1 2 320.418 1.901 40 0 DDABLO CCOc1ccc(C=C2C(=[NH2+])NC(N)=NC2=O)cc1OCC ZINC000018126382 182093686 /nfs/dbraw/zinc/09/36/86/182093686.db2.gz KLFYCKLRTAKFOE-YFHOEESVSA-N 1 2 302.334 1.080 40 0 DDABLO CCc1ccccc1O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000020034839 182182062 /nfs/dbraw/zinc/18/20/62/182182062.db2.gz FCEMYXAXTMRCNG-AWEZNQCLSA-N 1 2 306.406 1.465 40 0 DDABLO CCC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC000096208185 407251255 /nfs/dbraw/zinc/25/12/55/407251255.db2.gz PIYHSGRLJFOKQO-CYBMUJFWSA-N 1 2 300.362 1.726 40 0 DDABLO CCOCCCNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057711643 407216823 /nfs/dbraw/zinc/21/68/23/407216823.db2.gz VRMIYCFHQWEJDG-UHFFFAOYSA-N 1 2 323.412 1.491 40 0 DDABLO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3cccs3)CCO2)C1 ZINC000096049899 407228320 /nfs/dbraw/zinc/22/83/20/407228320.db2.gz YIVZTUPNLVHYLL-HNNXBMFYSA-N 1 2 310.419 1.198 40 0 DDABLO CC(=O)N1CCOC[C@]2(C[N@@H+](Cc3cccs3)CCO2)C1 ZINC000096049899 407228321 /nfs/dbraw/zinc/22/83/21/407228321.db2.gz YIVZTUPNLVHYLL-HNNXBMFYSA-N 1 2 310.419 1.198 40 0 DDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@@H]3C2)cs1 ZINC000096066177 407232524 /nfs/dbraw/zinc/23/25/24/407232524.db2.gz IEBBWCCRTCTRTM-AEGPPILISA-N 1 2 323.462 1.956 40 0 DDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NC(C)C)O[C@@H]3C2)cs1 ZINC000096066177 407232527 /nfs/dbraw/zinc/23/25/27/407232527.db2.gz IEBBWCCRTCTRTM-AEGPPILISA-N 1 2 323.462 1.956 40 0 DDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)no1 ZINC000096066207 407234297 /nfs/dbraw/zinc/23/42/97/407234297.db2.gz UBGWREGVSJRGFN-TUKIKUTGSA-N 1 2 305.378 1.241 40 0 DDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)no1 ZINC000096066207 407234300 /nfs/dbraw/zinc/23/43/00/407234300.db2.gz UBGWREGVSJRGFN-TUKIKUTGSA-N 1 2 305.378 1.241 40 0 DDABLO c1snnc1C[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC000096073023 407235152 /nfs/dbraw/zinc/23/51/52/407235152.db2.gz OJPJFKOYRHSWNQ-LBPRGKRZSA-N 1 2 317.418 1.867 40 0 DDABLO C[N@H+](Cc1ccco1)Cc1cnc2n1CCN(C(N)=O)CC2 ZINC000096197097 407248053 /nfs/dbraw/zinc/24/80/53/407248053.db2.gz QMELYFKOUHMJIH-UHFFFAOYSA-N 1 2 303.366 1.045 40 0 DDABLO C[N@@H+](Cc1ccco1)Cc1cnc2n1CCN(C(N)=O)CC2 ZINC000096197097 407248056 /nfs/dbraw/zinc/24/80/56/407248056.db2.gz QMELYFKOUHMJIH-UHFFFAOYSA-N 1 2 303.366 1.045 40 0 DDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)C2CCSCC2)C1 ZINC000096206503 407249881 /nfs/dbraw/zinc/24/98/81/407249881.db2.gz ATPPBNLUIQRHET-LBPRGKRZSA-N 1 2 309.435 1.631 40 0 DDABLO O=C1CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1CC1CCC1 ZINC000067897664 407289083 /nfs/dbraw/zinc/28/90/83/407289083.db2.gz RHLGHBBITDSHNX-CVEARBPZSA-N 1 2 301.390 1.293 40 0 biogenic,in-vitro DDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1CC1CCC1 ZINC000067897664 407289084 /nfs/dbraw/zinc/28/90/84/407289084.db2.gz RHLGHBBITDSHNX-CVEARBPZSA-N 1 2 301.390 1.293 40 0 biogenic,in-vitro DDABLO NC(N)=CC(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000100187681 407307282 /nfs/dbraw/zinc/30/72/82/407307282.db2.gz DIRKQUZLAATZLJ-UHFFFAOYSA-N 1 2 323.396 1.762 40 0 DDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cccc(=O)[nH]3)C2)[nH+]1 ZINC000257221324 407504448 /nfs/dbraw/zinc/50/44/48/407504448.db2.gz DOLYVDXRLZVDFO-LBPRGKRZSA-N 1 2 300.362 1.849 40 0 DDABLO O=C(Cn1cccn1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257229959 407506074 /nfs/dbraw/zinc/50/60/74/407506074.db2.gz GADFIOKZHOSFPN-OAHLLOKOSA-N 1 2 307.357 1.863 40 0 DDABLO Cc1ccn(CCC(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257237728 292740575 /nfs/dbraw/zinc/74/05/75/292740575.db2.gz HHWUDBDSEOYKSX-ZDUSSCGKSA-N 1 2 303.366 1.213 40 0 DDABLO Cc1cccc(Cc2cncc([C@H]3CCC[N@@H+]3CC(N)=O)n2)c1 ZINC000072355717 191130707 /nfs/dbraw/zinc/13/07/07/191130707.db2.gz WCOHFJFGKMKHDP-QGZVFWFLSA-N 1 2 310.401 1.998 40 0 DDABLO Cc1cccc(Cc2cncc([C@H]3CCC[N@H+]3CC(N)=O)n2)c1 ZINC000072355717 191130709 /nfs/dbraw/zinc/13/07/09/191130709.db2.gz WCOHFJFGKMKHDP-QGZVFWFLSA-N 1 2 310.401 1.998 40 0 DDABLO Cc1nnsc1CNc1cc([C@@H]2COCC[NH2+]2)nc(C)n1 ZINC000072366236 191135124 /nfs/dbraw/zinc/13/51/24/191135124.db2.gz NQOKPIMLDIKURD-NSHDSACASA-N 1 2 306.395 1.218 40 0 DDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000585096088 354803961 /nfs/dbraw/zinc/80/39/61/354803961.db2.gz PPUJVELAJJHPHV-HNNXBMFYSA-N 1 2 323.356 1.308 40 0 DDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1c[nH]c(C)n1)[C@@H]2C ZINC000585098237 354806248 /nfs/dbraw/zinc/80/62/48/354806248.db2.gz SLUDLHYCCZIRHV-LLVKDONJSA-N 1 2 317.393 1.711 40 0 DDABLO O=C(C1CC(F)C1)N1CCCn2c(C[NH+]3CCCC3)nnc2C1 ZINC000585110548 354809084 /nfs/dbraw/zinc/80/90/84/354809084.db2.gz JCFONWOGRZDGDI-UHFFFAOYSA-N 1 2 321.400 1.354 40 0 DDABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)[nH+]1 ZINC000257295038 203021376 /nfs/dbraw/zinc/02/13/76/203021376.db2.gz QWRHETXGJYOLJX-CYBMUJFWSA-N 1 2 320.418 1.692 40 0 DDABLO O=C1Oc2nc3ccccc3cc2CN1CC[NH+]1CCOCC1 ZINC000019376295 182120587 /nfs/dbraw/zinc/12/05/87/182120587.db2.gz GAGJSWGQLSHTJO-UHFFFAOYSA-N 1 2 313.357 1.881 40 0 DDABLO Cc1ncc(C[N@@H+]2CCO[C@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750394 182143386 /nfs/dbraw/zinc/14/33/86/182143386.db2.gz NANCBEKNKSHBNI-AWEZNQCLSA-N 1 2 309.435 1.711 40 0 DDABLO Cc1ncc(C[N@H+]2CCO[C@H](C(=O)NC3CCCC3)C2)s1 ZINC000019750394 182143388 /nfs/dbraw/zinc/14/33/88/182143388.db2.gz NANCBEKNKSHBNI-AWEZNQCLSA-N 1 2 309.435 1.711 40 0 DDABLO O=c1[nH]c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)cc2o1 ZINC000019936448 182167264 /nfs/dbraw/zinc/16/72/64/182167264.db2.gz IEMZZTKEZISJHS-UHFFFAOYSA-N 1 2 322.346 1.099 40 0 DDABLO COc1ccc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1OC ZINC000095533879 257137326 /nfs/dbraw/zinc/13/73/26/257137326.db2.gz ZBBZCIMKFOEEQS-WCQYABFASA-N 1 2 304.350 1.722 40 0 DDABLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](O)C2)no1 ZINC000072341655 406882057 /nfs/dbraw/zinc/88/20/57/406882057.db2.gz HMPXAWRJDDKDOD-LSDHHAIUSA-N 1 2 315.373 1.772 40 0 DDABLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H](O)C2)no1 ZINC000072341655 406882060 /nfs/dbraw/zinc/88/20/60/406882060.db2.gz HMPXAWRJDDKDOD-LSDHHAIUSA-N 1 2 315.373 1.772 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398541 407100341 /nfs/dbraw/zinc/10/03/41/407100341.db2.gz ASTMRLPYJIVQKR-JHJVBQTASA-N 1 2 323.389 1.315 40 0 DDABLO CCOC(=O)C1(C(=O)OCC)CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398541 407100343 /nfs/dbraw/zinc/10/03/43/407100343.db2.gz ASTMRLPYJIVQKR-JHJVBQTASA-N 1 2 323.389 1.315 40 0 DDABLO c1cnc(NCc2[nH]nc3c2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096084118 407235755 /nfs/dbraw/zinc/23/57/55/407235755.db2.gz YACXOTODWPLFMC-UHFFFAOYSA-N 1 2 321.388 1.765 40 0 DDABLO c1cnc(NCc2[nH]nc3c2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096084118 407235757 /nfs/dbraw/zinc/23/57/57/407235757.db2.gz YACXOTODWPLFMC-UHFFFAOYSA-N 1 2 321.388 1.765 40 0 DDABLO O=C(c1ccc[nH]1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187911 407245317 /nfs/dbraw/zinc/24/53/17/407245317.db2.gz WPLFMJRBJMXGPT-CQSZACIVSA-N 1 2 314.389 1.910 40 0 DDABLO Cc1ccc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3C2)o1 ZINC000096201110 407248696 /nfs/dbraw/zinc/24/86/96/407248696.db2.gz CKYQLBFTPYVDFR-UHFFFAOYSA-N 1 2 311.345 1.685 40 0 DDABLO CCOCC(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202279 407249797 /nfs/dbraw/zinc/24/97/97/407249797.db2.gz RZUQPWKECRJEOR-KRWDZBQOSA-N 1 2 319.405 1.173 40 0 DDABLO Cc1cc([C@H]2C[N@H+](CC3(O)CCOCC3)CCO2)nc(C)n1 ZINC000257239553 407515284 /nfs/dbraw/zinc/51/52/84/407515284.db2.gz HPVHAMHPPPYFJX-OAHLLOKOSA-N 1 2 307.394 1.008 40 0 DDABLO Cc1cc([C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)nc(C)n1 ZINC000257239553 407515290 /nfs/dbraw/zinc/51/52/90/407515290.db2.gz HPVHAMHPPPYFJX-OAHLLOKOSA-N 1 2 307.394 1.008 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257245842 407518461 /nfs/dbraw/zinc/51/84/61/407518461.db2.gz IRHHQFSSXFHKKX-OAHLLOKOSA-N 1 2 314.393 1.183 40 0 DDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257245842 407518466 /nfs/dbraw/zinc/51/84/66/407518466.db2.gz IRHHQFSSXFHKKX-OAHLLOKOSA-N 1 2 314.393 1.183 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cncnc2)CC[N@@H+]1C ZINC000257248753 407518549 /nfs/dbraw/zinc/51/85/49/407518549.db2.gz JFALXDYJCBITPU-HNNXBMFYSA-N 1 2 312.373 1.614 40 0 DDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cncnc2)CC[N@H+]1C ZINC000257248753 407518554 /nfs/dbraw/zinc/51/85/54/407518554.db2.gz JFALXDYJCBITPU-HNNXBMFYSA-N 1 2 312.373 1.614 40 0 DDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2sc(C)nc2C)[nH+]1 ZINC000257258711 407522400 /nfs/dbraw/zinc/52/24/00/407522400.db2.gz KVEXKMPLTOPIHU-GFCCVEGCSA-N 1 2 320.418 1.934 40 0 DDABLO O=C(CC1CC1)NC[C@@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21 ZINC000247851290 408511087 /nfs/dbraw/zinc/51/10/87/408511087.db2.gz IXDOVVHCFCNZSV-MRXNPFEDSA-N 1 2 314.389 1.949 40 0 DDABLO Cn1cc(C[N@@H+]2C[C@@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306123732 409773114 /nfs/dbraw/zinc/77/31/14/409773114.db2.gz AUVSNWLEWVWCKG-UKRRQHHQSA-N 1 2 303.387 1.175 40 0 DDABLO Cn1cc(C[N@H+]2C[C@@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306123732 409773121 /nfs/dbraw/zinc/77/31/21/409773121.db2.gz AUVSNWLEWVWCKG-UKRRQHHQSA-N 1 2 303.387 1.175 40 0 DDABLO c1cncc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CC3)[nH+]2)c1 ZINC000329018837 410053942 /nfs/dbraw/zinc/05/39/42/410053942.db2.gz NSXCTIFOQAHFFW-AWEZNQCLSA-N 1 2 311.389 1.548 40 0 DDABLO C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CC[NH+](C)CC1 ZINC000253408386 186308842 /nfs/dbraw/zinc/30/88/42/186308842.db2.gz XTKHUVPJYIYHKY-NSHDSACASA-N 1 2 316.361 1.178 40 0 biogenic,in-vitro DDABLO Cc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)o1 ZINC000072335540 191126162 /nfs/dbraw/zinc/12/61/62/191126162.db2.gz BSTDIKNLENOMRP-UHFFFAOYSA-N 1 2 314.389 1.830 40 0 DDABLO Cc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)o1 ZINC000072335540 191126164 /nfs/dbraw/zinc/12/61/64/191126164.db2.gz BSTDIKNLENOMRP-UHFFFAOYSA-N 1 2 314.389 1.830 40 0 DDABLO CC(=O)N1CC[C@H]1c1cc(NCc2[nH+]ccn2C)nc(C)n1 ZINC000072386936 191145370 /nfs/dbraw/zinc/14/53/70/191145370.db2.gz KMAPGPSCBADAPM-ZDUSSCGKSA-N 1 2 300.366 1.424 40 0 DDABLO CCCNC(=O)C1=NO[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000585101171 354806961 /nfs/dbraw/zinc/80/69/61/354806961.db2.gz KXVKDXFJPUMLJI-KRWDZBQOSA-N 1 2 316.405 1.719 40 0 DDABLO CCCNC(=O)C1=NO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000585101171 354806966 /nfs/dbraw/zinc/80/69/66/354806966.db2.gz KXVKDXFJPUMLJI-KRWDZBQOSA-N 1 2 316.405 1.719 40 0 DDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2F)Cc2ccnn21 ZINC000585112305 354810371 /nfs/dbraw/zinc/81/03/71/354810371.db2.gz OGYAAPKOYQEXGQ-CQSZACIVSA-N 1 2 302.353 1.715 40 0 DDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2ccnn21 ZINC000585112305 354810374 /nfs/dbraw/zinc/81/03/74/354810374.db2.gz OGYAAPKOYQEXGQ-CQSZACIVSA-N 1 2 302.353 1.715 40 0 DDABLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585275451 354819543 /nfs/dbraw/zinc/81/95/43/354819543.db2.gz CIPFCRVYVVYLRX-CJNGLKHVSA-N 1 2 317.364 1.543 40 0 DDABLO COc1ccc(C[N@@H+]2CCC[C@@]2(C(N)=O)c2cnccn2)cc1 ZINC000257286449 203013903 /nfs/dbraw/zinc/01/39/03/203013903.db2.gz PLPUTEDEYKRMEN-KRWDZBQOSA-N 1 2 312.373 1.462 40 0 DDABLO COc1ccc(C[N@H+]2CCC[C@@]2(C(N)=O)c2cnccn2)cc1 ZINC000257286449 203013906 /nfs/dbraw/zinc/01/39/06/203013906.db2.gz PLPUTEDEYKRMEN-KRWDZBQOSA-N 1 2 312.373 1.462 40 0 DDABLO CCCc1nnsc1C(=O)N1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257289952 203014924 /nfs/dbraw/zinc/01/49/24/203014924.db2.gz QAWVOSGNTPTLJX-LLVKDONJSA-N 1 2 321.406 1.736 40 0 DDABLO CC[N@H+](CC(=O)NC(C)C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000015420504 284396570 /nfs/dbraw/zinc/39/65/70/284396570.db2.gz BZEODZKMXWZYEO-ILXRZTDVSA-N 1 2 311.470 1.774 40 0 DDABLO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000015420504 284396572 /nfs/dbraw/zinc/39/65/72/284396572.db2.gz BZEODZKMXWZYEO-ILXRZTDVSA-N 1 2 311.470 1.774 40 0 DDABLO [NH3+][C@H](c1nnc(CCN2CCOCC2)[nH]1)c1ccc(Cl)cc1 ZINC000095533984 257137925 /nfs/dbraw/zinc/13/79/25/257137925.db2.gz IUVZTHAGERCKNA-AWEZNQCLSA-N 1 2 321.812 1.381 40 0 DDABLO COc1cc(N)cc(Br)c1N1CC[NH+](C)CC1 ZINC000045885989 286227746 /nfs/dbraw/zinc/22/77/46/286227746.db2.gz CVMJFSVSOHDFMZ-UHFFFAOYSA-N 1 2 300.200 1.792 40 0 DDABLO C/C(=C1/CCOC(=O)S1)N(C=O)Cc1c[nH+]c(C)nc1N ZINC000001999298 406681188 /nfs/dbraw/zinc/68/11/88/406681188.db2.gz LLJDJQYGZBQFIF-DHZHZOJOSA-N 1 2 308.363 1.831 40 0 in-vitro DDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1 ZINC000010339073 406822924 /nfs/dbraw/zinc/82/29/24/406822924.db2.gz RCVXOXZXYLFJON-SECBINFHSA-N 1 2 312.333 1.014 40 0 DDABLO CCOC(=O)N1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000023230543 406891212 /nfs/dbraw/zinc/89/12/12/406891212.db2.gz FEIBIKYPLZOHHB-HNNXBMFYSA-N 1 2 322.405 1.509 40 0 DDABLO CC[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)Nc1ccccc1)C2 ZINC000096238267 407254652 /nfs/dbraw/zinc/25/46/52/407254652.db2.gz HWUMIXAXKPOTMH-INIZCTEOSA-N 1 2 302.378 1.115 40 0 DDABLO CC[N@H+]1CC(=O)NC[C@]12CCN(C(=O)Nc1ccccc1)C2 ZINC000096238267 407254654 /nfs/dbraw/zinc/25/46/54/407254654.db2.gz HWUMIXAXKPOTMH-INIZCTEOSA-N 1 2 302.378 1.115 40 0 DDABLO c1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C[C@@H]2CCCO2)ccn1 ZINC000096054348 407229293 /nfs/dbraw/zinc/22/92/93/407229293.db2.gz MDUDVXMBYWJNLD-BBWFWOEESA-N 1 2 303.406 1.146 40 0 DDABLO c1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C[C@@H]2CCCO2)ccn1 ZINC000096054348 407229295 /nfs/dbraw/zinc/22/92/95/407229295.db2.gz MDUDVXMBYWJNLD-BBWFWOEESA-N 1 2 303.406 1.146 40 0 DDABLO Cn1cccc1C(=O)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196953 407247671 /nfs/dbraw/zinc/24/76/71/407247671.db2.gz BLOYZGOWUPQRHS-UHFFFAOYSA-N 1 2 324.388 1.165 40 0 DDABLO CCOC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1cccnc1OC ZINC000096197740 407247936 /nfs/dbraw/zinc/24/79/36/407247936.db2.gz JFNURUVOPROUNZ-HNNXBMFYSA-N 1 2 316.405 1.960 40 0 DDABLO CCOC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1cccnc1OC ZINC000096197740 407247938 /nfs/dbraw/zinc/24/79/38/407247938.db2.gz JFNURUVOPROUNZ-HNNXBMFYSA-N 1 2 316.405 1.960 40 0 DDABLO CCc1[nH+]ccn1-c1ccc(C(=O)NCC2CCOCC2)cn1 ZINC000257201806 407490949 /nfs/dbraw/zinc/49/09/49/407490949.db2.gz AJCPQWGTPYNKMI-UHFFFAOYSA-N 1 2 314.389 1.986 40 0 DDABLO Cc1cccc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)n1 ZINC000257207380 407492977 /nfs/dbraw/zinc/49/29/77/407492977.db2.gz BHMQRXOZIQCTSE-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cccc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)n1 ZINC000257207380 407492983 /nfs/dbraw/zinc/49/29/83/407492983.db2.gz BHMQRXOZIQCTSE-INIZCTEOSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1ocnc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257221247 407502988 /nfs/dbraw/zinc/50/29/88/407502988.db2.gz DOCMFAUSBJTOMJ-MRXNPFEDSA-N 1 2 316.361 1.139 40 0 DDABLO O[C@H]1CC[N@H+](Cc2ncc[nH]2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257239763 407513966 /nfs/dbraw/zinc/51/39/66/407513966.db2.gz HQRRDMLPFHEYGL-GJZGRUSLSA-N 1 2 305.353 1.953 40 0 DDABLO O[C@H]1CC[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257239763 407513974 /nfs/dbraw/zinc/51/39/74/407513974.db2.gz HQRRDMLPFHEYGL-GJZGRUSLSA-N 1 2 305.353 1.953 40 0 DDABLO Cc1cc(=O)[nH]c([C@H]2C[N@H+](CCOc3ccccc3)CCO2)n1 ZINC000257246952 407517714 /nfs/dbraw/zinc/51/77/14/407517714.db2.gz IWRSAIODIHDVMH-OAHLLOKOSA-N 1 2 315.373 1.943 40 0 DDABLO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)n1 ZINC000257246952 407517716 /nfs/dbraw/zinc/51/77/16/407517716.db2.gz IWRSAIODIHDVMH-OAHLLOKOSA-N 1 2 315.373 1.943 40 0 DDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 ZINC000257323891 407533479 /nfs/dbraw/zinc/53/34/79/407533479.db2.gz WMGZAKSGJJUFCE-NVXWUHKLSA-N 1 2 322.380 1.952 40 0 DDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(F)ccc2C)C[C@]12CCCO2 ZINC000257323891 407533485 /nfs/dbraw/zinc/53/34/85/407533485.db2.gz WMGZAKSGJJUFCE-NVXWUHKLSA-N 1 2 322.380 1.952 40 0 DDABLO COC[C@@H]1CN(C(=O)c2cccnc2OC)Cc2c[nH+]cn21 ZINC000247909322 408516982 /nfs/dbraw/zinc/51/69/82/408516982.db2.gz XXTIGMCYIWNINK-LBPRGKRZSA-N 1 2 302.334 1.130 40 0 DDABLO OCCCNc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000328972218 410027001 /nfs/dbraw/zinc/02/70/01/410027001.db2.gz DVOYYECKZNHHDZ-UHFFFAOYSA-N 1 2 300.362 1.441 40 0 DDABLO Cc1cc(N2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)nc[nH+]1 ZINC000072367566 191137468 /nfs/dbraw/zinc/13/74/68/191137468.db2.gz DCZDYJWUJFIPIY-ZDUSSCGKSA-N 1 2 312.377 1.714 40 0 DDABLO CC(=O)Nc1cnn(CC2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000072369078 191138243 /nfs/dbraw/zinc/13/82/43/191138243.db2.gz NCJBXZQLAATNQZ-UHFFFAOYSA-N 1 2 314.393 1.857 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000072388716 191148344 /nfs/dbraw/zinc/14/83/44/191148344.db2.gz LFZPSIRDIKFUNJ-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000072388716 191148347 /nfs/dbraw/zinc/14/83/47/191148347.db2.gz LFZPSIRDIKFUNJ-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000072388716 191148349 /nfs/dbraw/zinc/14/83/49/191148349.db2.gz LFZPSIRDIKFUNJ-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000072388716 191148351 /nfs/dbraw/zinc/14/83/51/191148351.db2.gz LFZPSIRDIKFUNJ-MRXNPFEDSA-N 1 2 316.409 1.388 40 0 DDABLO O=C(NCC1CC1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095726 354803983 /nfs/dbraw/zinc/80/39/83/354803983.db2.gz GCYCOJJXNRWMIN-AWEZNQCLSA-N 1 2 302.378 1.093 40 0 DDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275938 354820804 /nfs/dbraw/zinc/82/08/04/354820804.db2.gz GUSBSARGKHESPG-IRXDYDNUSA-N 1 2 313.401 1.868 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000257314355 203038991 /nfs/dbraw/zinc/03/89/91/203038991.db2.gz UWPJKDXVRLNXTE-NSHDSACASA-N 1 2 309.395 1.020 40 0 DDABLO COc1ccc(C(=S)NCC[NH+]2CCOCC2)c(OC)c1 ZINC000022134037 182309887 /nfs/dbraw/zinc/30/98/87/182309887.db2.gz ULBLGNYDLSTFLJ-UHFFFAOYSA-N 1 2 310.419 1.301 40 0 DDABLO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)c1 ZINC000022525278 182325048 /nfs/dbraw/zinc/32/50/48/182325048.db2.gz DKLXFVSRQZOSAT-INIZCTEOSA-N 1 2 320.433 1.828 40 0 DDABLO Cn1c(=O)[nH]c(O)c(C2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000103720854 257121591 /nfs/dbraw/zinc/12/15/91/257121591.db2.gz ADGQWITULURKMK-AWEZNQCLSA-N 1 2 315.373 1.223 40 0 DDABLO Cn1c(O)c(C2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000103720854 257121592 /nfs/dbraw/zinc/12/15/92/257121592.db2.gz ADGQWITULURKMK-AWEZNQCLSA-N 1 2 315.373 1.223 40 0 DDABLO Cc1ccc2[nH]cc(NC(=O)N3CC[NH+](C)CC3)c(=O)c2c1 ZINC000013565922 406862055 /nfs/dbraw/zinc/86/20/55/406862055.db2.gz MXOTVWUOEVMCCJ-UHFFFAOYSA-N 1 2 300.362 1.616 40 0 DDABLO COC[C@@H]1CN(C(=O)COc2ccccc2)Cc2[nH+]cn(C)c21 ZINC000096044774 407226555 /nfs/dbraw/zinc/22/65/55/407226555.db2.gz KEBWXFOLCKMLSW-ZDUSSCGKSA-N 1 2 315.373 1.571 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccco3)[C@@H]2C1 ZINC000096056696 407231034 /nfs/dbraw/zinc/23/10/34/407231034.db2.gz LUUJWHIONTVSOS-NUEKZKHPSA-N 1 2 304.390 1.785 40 0 DDABLO O=C(NCC1CC1)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC000096056696 407231035 /nfs/dbraw/zinc/23/10/35/407231035.db2.gz LUUJWHIONTVSOS-NUEKZKHPSA-N 1 2 304.390 1.785 40 0 DDABLO CC(C)[N@H+](C)Cc1nnc2n1CCN(Cc1ccccn1)C2 ZINC000096084938 407236185 /nfs/dbraw/zinc/23/61/85/407236185.db2.gz YJPWYBDDXZUHJC-UHFFFAOYSA-N 1 2 300.410 1.529 40 0 DDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCN(Cc1ccccn1)C2 ZINC000096084938 407236187 /nfs/dbraw/zinc/23/61/87/407236187.db2.gz YJPWYBDDXZUHJC-UHFFFAOYSA-N 1 2 300.410 1.529 40 0 DDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CC(=O)NCC4CC4)[C@H]3C2)no1 ZINC000096215492 407250520 /nfs/dbraw/zinc/25/05/20/407250520.db2.gz OQURCGCHXSVEDN-FVQBIDKESA-N 1 2 319.405 1.346 40 0 DDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CC(=O)NCC4CC4)[C@H]3C2)no1 ZINC000096215492 407250527 /nfs/dbraw/zinc/25/05/27/407250527.db2.gz OQURCGCHXSVEDN-FVQBIDKESA-N 1 2 319.405 1.346 40 0 DDABLO Cc1cccc(C[N@@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)n1 ZINC000257207381 407495119 /nfs/dbraw/zinc/49/51/19/407495119.db2.gz BHMQRXOZIQCTSE-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO Cc1cccc(C[N@H+]2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)n1 ZINC000257207381 407495126 /nfs/dbraw/zinc/49/51/26/407495126.db2.gz BHMQRXOZIQCTSE-MRXNPFEDSA-N 1 2 314.389 1.719 40 0 DDABLO c1cnc(Nc2cncc([C@@H]3C[N@H+](CC4CC4)CCO3)n2)nc1 ZINC000257221910 407504363 /nfs/dbraw/zinc/50/43/63/407504363.db2.gz DRBQZTVGARRLLU-AWEZNQCLSA-N 1 2 312.377 1.794 40 0 DDABLO c1cnc(Nc2cncc([C@@H]3C[N@@H+](CC4CC4)CCO3)n2)nc1 ZINC000257221910 407504369 /nfs/dbraw/zinc/50/43/69/407504369.db2.gz DRBQZTVGARRLLU-AWEZNQCLSA-N 1 2 312.377 1.794 40 0 DDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257263380 407525828 /nfs/dbraw/zinc/52/58/28/407525828.db2.gz LPQFBEBTOKVDLO-HNNXBMFYSA-N 1 2 320.418 1.475 40 0 DDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257263380 407525835 /nfs/dbraw/zinc/52/58/35/407525835.db2.gz LPQFBEBTOKVDLO-HNNXBMFYSA-N 1 2 320.418 1.475 40 0 DDABLO Cc1nc(N2CCC[C@](C)(c3n[nH]cc3C(N)=O)C2)cc[nH+]1 ZINC000072388734 191147573 /nfs/dbraw/zinc/14/75/73/191147573.db2.gz HZYJBKNJGVTYLN-HNNXBMFYSA-N 1 2 300.366 1.165 40 0 DDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NC2CCC2)C1 ZINC000585095969 354803890 /nfs/dbraw/zinc/80/38/90/354803890.db2.gz HRIUPCFCIRGYNE-SWHYSGLUSA-N 1 2 302.378 1.091 40 0 DDABLO Cc1[nH+]c[nH]c1CN1CCO[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000585276600 354820421 /nfs/dbraw/zinc/82/04/21/354820421.db2.gz QEQYANAZLLMBQL-QGZVFWFLSA-N 1 2 319.380 1.663 40 0 DDABLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC1)C1CCCC1 ZINC000006001615 181304891 /nfs/dbraw/zinc/30/48/91/181304891.db2.gz BFXBKZKSACANKU-CQSZACIVSA-N 1 2 304.394 1.250 40 0 DDABLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC1)C1CCCC1 ZINC000006001615 181304893 /nfs/dbraw/zinc/30/48/93/181304893.db2.gz BFXBKZKSACANKU-CQSZACIVSA-N 1 2 304.394 1.250 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2c(C)n[nH]c2C)[nH+]1 ZINC000257281606 203011139 /nfs/dbraw/zinc/01/11/39/203011139.db2.gz OQCHMHPJKWFJHG-AWEZNQCLSA-N 1 2 317.393 1.591 40 0 DDABLO NC(=O)C[N@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257321917 203045848 /nfs/dbraw/zinc/04/58/48/203045848.db2.gz WDVJEVBQEJJOJQ-ILXRZTDVSA-N 1 2 319.380 1.485 40 0 DDABLO NC(=O)C[N@@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257321917 203045850 /nfs/dbraw/zinc/04/58/50/203045850.db2.gz WDVJEVBQEJJOJQ-ILXRZTDVSA-N 1 2 319.380 1.485 40 0 DDABLO CN(C)c1cccc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257323677 203047321 /nfs/dbraw/zinc/04/73/21/203047321.db2.gz WLKHGKLHSPXVGB-HNNXBMFYSA-N 1 2 301.394 1.455 40 0 DDABLO CN(C)c1cccc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257323677 203047325 /nfs/dbraw/zinc/04/73/25/203047325.db2.gz WLKHGKLHSPXVGB-HNNXBMFYSA-N 1 2 301.394 1.455 40 0 DDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2noc3c2CCCC3)[nH+]1 ZINC000257271085 257233383 /nfs/dbraw/zinc/23/33/83/257233383.db2.gz MWTDMSMWEPFGOT-LBPRGKRZSA-N 1 2 316.361 1.799 40 0 DDABLO CCC(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257271227 257233412 /nfs/dbraw/zinc/23/34/12/257233412.db2.gz MXKOAMRMWGTOFE-MRXNPFEDSA-N 1 2 303.406 1.987 40 0 DDABLO O=S1(=O)CC[C@@H]([N@H+](CCO)Cc2cccc(Cl)c2)C1 ZINC000069776314 406772450 /nfs/dbraw/zinc/77/24/50/406772450.db2.gz QNTLPLAEEAESLB-CYBMUJFWSA-N 1 2 303.811 1.321 40 0 DDABLO O=S1(=O)CC[C@@H]([N@@H+](CCO)Cc2cccc(Cl)c2)C1 ZINC000069776314 406772454 /nfs/dbraw/zinc/77/24/54/406772454.db2.gz QNTLPLAEEAESLB-CYBMUJFWSA-N 1 2 303.811 1.321 40 0 DDABLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(S(=O)(=O)C1CC1)C2 ZINC000096255848 407256994 /nfs/dbraw/zinc/25/69/94/407256994.db2.gz NXTDACQLZBGWAU-UHFFFAOYSA-N 1 2 312.439 1.100 40 0 DDABLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(S(=O)(=O)C1CC1)C2 ZINC000096255848 407256995 /nfs/dbraw/zinc/25/69/95/407256995.db2.gz NXTDACQLZBGWAU-UHFFFAOYSA-N 1 2 312.439 1.100 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC000096041860 407225215 /nfs/dbraw/zinc/22/52/15/407225215.db2.gz TVVGQROENQFHKQ-ZMSDIMECSA-N 1 2 314.389 1.626 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC000096041860 407225218 /nfs/dbraw/zinc/22/52/18/407225218.db2.gz TVVGQROENQFHKQ-ZMSDIMECSA-N 1 2 314.389 1.626 40 0 DDABLO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3nccs3)C2)n1 ZINC000096041216 407225552 /nfs/dbraw/zinc/22/55/52/407225552.db2.gz UGXDLHAXMFEFOV-QJPTWQEYSA-N 1 2 306.391 1.982 40 0 DDABLO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3nccs3)C2)n1 ZINC000096041216 407225554 /nfs/dbraw/zinc/22/55/54/407225554.db2.gz UGXDLHAXMFEFOV-QJPTWQEYSA-N 1 2 306.391 1.982 40 0 DDABLO O=S(=O)(C1CC1)N1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096072655 407234975 /nfs/dbraw/zinc/23/49/75/407234975.db2.gz GLGDVZQIQRDVMO-SWLSCSKDSA-N 1 2 323.418 1.219 40 0 DDABLO Fc1cnc(N2CCO[C@@H]3[C@H](Cn4cc[nH+]c4)CC[C@@H]32)nc1 ZINC000096082625 407236261 /nfs/dbraw/zinc/23/62/61/407236261.db2.gz JDRAHXOWXAXKNN-FPMFFAJLSA-N 1 2 303.341 1.496 40 0 DDABLO CC(=O)NCc1cncc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257233848 407509064 /nfs/dbraw/zinc/50/90/64/407509064.db2.gz GQZKPSXLUBJNFN-OAHLLOKOSA-N 1 2 312.377 1.553 40 0 DDABLO COc1ccccc1C[N@@H+]1CCC[C@@]1(C(N)=O)c1cnccn1 ZINC000257236280 407509253 /nfs/dbraw/zinc/50/92/53/407509253.db2.gz HBLPLIWUSPMGHQ-KRWDZBQOSA-N 1 2 312.373 1.462 40 0 DDABLO COc1ccccc1C[N@H+]1CCC[C@@]1(C(N)=O)c1cnccn1 ZINC000257236280 407509256 /nfs/dbraw/zinc/50/92/56/407509256.db2.gz HBLPLIWUSPMGHQ-KRWDZBQOSA-N 1 2 312.373 1.462 40 0 DDABLO Cn1c[nH+]cc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257203282 407492828 /nfs/dbraw/zinc/49/28/28/407492828.db2.gz APIVPUBQQFXBLZ-HOTGVXAUSA-N 1 2 312.373 1.036 40 0 DDABLO CNc1cc([C@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)cc[nH+]1 ZINC000257205871 407494685 /nfs/dbraw/zinc/49/46/85/407494685.db2.gz BAXQJSPDVZKUNX-LLVKDONJSA-N 1 2 315.333 1.302 40 0 DDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)C2)[nH+]1 ZINC000257244475 407512568 /nfs/dbraw/zinc/51/25/68/407512568.db2.gz ILNDQNDFZOQUTJ-LBPRGKRZSA-N 1 2 314.393 1.594 40 0 DDABLO COCC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1OC ZINC000257257809 407523509 /nfs/dbraw/zinc/52/35/09/407523509.db2.gz KREJGUJKFYSWCJ-CYBMUJFWSA-N 1 2 301.346 1.622 40 0 DDABLO O=C(Cc1ccsc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257258574 407523632 /nfs/dbraw/zinc/52/36/32/407523632.db2.gz KUPZJBBSAYKGOR-KBPBESRZSA-N 1 2 305.403 1.712 40 0 DDABLO OCCNc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000328974865 231403409 /nfs/dbraw/zinc/40/34/09/231403409.db2.gz FHGMRZMFESGAGR-UHFFFAOYSA-N 1 2 321.384 1.399 40 0 DDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cnn(C(C)C)c1 ZINC000585094598 354803672 /nfs/dbraw/zinc/80/36/72/354803672.db2.gz DODPQUSXZNNKCS-CQSZACIVSA-N 1 2 303.410 1.771 40 0 DDABLO COCCc1c[nH+]c2n1CCN(Cc1cc(C)nn1C)[C@@H]2C ZINC000585096921 354805391 /nfs/dbraw/zinc/80/53/91/354805391.db2.gz CPQRAGONQAOLPQ-CYBMUJFWSA-N 1 2 303.410 1.691 40 0 DDABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccn(C)n2)nc1 ZINC000257301104 203025903 /nfs/dbraw/zinc/02/59/03/203025903.db2.gz RXAFHLRKDNTGDD-QGZVFWFLSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccn(C)n2)nc1 ZINC000257301104 203025906 /nfs/dbraw/zinc/02/59/06/203025906.db2.gz RXAFHLRKDNTGDD-QGZVFWFLSA-N 1 2 313.405 1.788 40 0 DDABLO CC(=O)N1CCN(c2ccc([C@@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072225637 257123361 /nfs/dbraw/zinc/12/33/61/257123361.db2.gz PXWXEHLTTFXZDA-SFHVURJKSA-N 1 2 311.385 1.832 40 0 DDABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCC(C)C ZINC000096112974 257215346 /nfs/dbraw/zinc/21/53/46/257215346.db2.gz IXDGKQPVXXKHDB-JKSUJKDBSA-N 1 2 317.433 1.710 40 0 biogenic,in-vitro DDABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCC(C)C ZINC000096112974 257215348 /nfs/dbraw/zinc/21/53/48/257215348.db2.gz IXDGKQPVXXKHDB-JKSUJKDBSA-N 1 2 317.433 1.710 40 0 biogenic,in-vitro DDABLO COCCn1nnnc1[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000004230568 406723694 /nfs/dbraw/zinc/72/36/94/406723694.db2.gz ISZKYJDASITVGO-CQSZACIVSA-N 1 2 305.357 1.644 40 0 DDABLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC1)C1CCCC1 ZINC000008651829 406789169 /nfs/dbraw/zinc/78/91/69/406789169.db2.gz BFXBKZKSACANKU-AWEZNQCLSA-N 1 2 304.394 1.250 40 0 DDABLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC1)C1CCCC1 ZINC000008651829 406789170 /nfs/dbraw/zinc/78/91/70/406789170.db2.gz BFXBKZKSACANKU-AWEZNQCLSA-N 1 2 304.394 1.250 40 0 DDABLO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000027228767 406909302 /nfs/dbraw/zinc/90/93/02/406909302.db2.gz KFLMJLOBTBXGAN-UMVBOHGHSA-N 1 2 307.390 1.738 40 0 DDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC000096042269 407226053 /nfs/dbraw/zinc/22/60/53/407226053.db2.gz TVVGQROENQFHKQ-YQQAZPJKSA-N 1 2 314.389 1.626 40 0 DDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC000096042269 407226055 /nfs/dbraw/zinc/22/60/55/407226055.db2.gz TVVGQROENQFHKQ-YQQAZPJKSA-N 1 2 314.389 1.626 40 0 DDABLO O=C1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1ccncc1 ZINC000096054269 407229935 /nfs/dbraw/zinc/22/99/35/407229935.db2.gz UUZLWVSIHHRYJN-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO O=C1CO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1ccncc1 ZINC000096054269 407229936 /nfs/dbraw/zinc/22/99/36/407229936.db2.gz UUZLWVSIHHRYJN-IAGOWNOFSA-N 1 2 324.384 1.088 40 0 DDABLO c1csc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccncc2)n1 ZINC000096081744 407235877 /nfs/dbraw/zinc/23/58/77/407235877.db2.gz INDOJHVNRVTHIS-CABCVRRESA-N 1 2 316.430 1.623 40 0 DDABLO c1csc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccncc2)n1 ZINC000096081744 407235878 /nfs/dbraw/zinc/23/58/78/407235878.db2.gz INDOJHVNRVTHIS-CABCVRRESA-N 1 2 316.430 1.623 40 0 DDABLO CCS(=O)(=O)N1CCC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000096089427 407236369 /nfs/dbraw/zinc/23/63/69/407236369.db2.gz ACIMQKJFKBRVCR-UHFFFAOYSA-N 1 2 312.410 1.683 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000107263808 407371708 /nfs/dbraw/zinc/37/17/08/407371708.db2.gz VGIVZOVAYSAQHR-IIAWOOMASA-N 1 2 319.405 1.549 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000107263808 407371710 /nfs/dbraw/zinc/37/17/10/407371710.db2.gz VGIVZOVAYSAQHR-IIAWOOMASA-N 1 2 319.405 1.549 40 0 DDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000107263637 407371775 /nfs/dbraw/zinc/37/17/75/407371775.db2.gz LCIXAKHWERLXMJ-IIAWOOMASA-N 1 2 319.405 1.407 40 0 DDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000107263637 407371777 /nfs/dbraw/zinc/37/17/77/407371777.db2.gz LCIXAKHWERLXMJ-IIAWOOMASA-N 1 2 319.405 1.407 40 0 DDABLO Cc1cc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)ccn1 ZINC000257237349 407509427 /nfs/dbraw/zinc/50/94/27/407509427.db2.gz HGBNVWTTXMATLL-MRXNPFEDSA-N 1 2 314.389 1.967 40 0 DDABLO Cc1cc(C)n(CC(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257201534 407490888 /nfs/dbraw/zinc/49/08/88/407490888.db2.gz AHZSAHGQCPQCNK-CYBMUJFWSA-N 1 2 303.366 1.132 40 0 DDABLO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH]ncc2C)C1 ZINC000257224576 407503887 /nfs/dbraw/zinc/50/38/87/407503887.db2.gz FCJJAAIVXTYXSG-ZDUSSCGKSA-N 1 2 301.394 1.883 40 0 DDABLO Cc1cc([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nc2ccnn21 ZINC000257243664 407512896 /nfs/dbraw/zinc/51/28/96/407512896.db2.gz IHZHDFKTZNFMSI-OAHLLOKOSA-N 1 2 324.388 1.988 40 0 DDABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)cc[nH+]1 ZINC000257254225 407520106 /nfs/dbraw/zinc/52/01/06/407520106.db2.gz KCGHIIGQYQYNGP-ZDUSSCGKSA-N 1 2 310.423 1.601 40 0 DDABLO