smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000008377008 181551937 /nfs/dbraw/zinc/55/19/37/181551937.db2.gz VENZVVXHHNXAJJ-UHFFFAOYSA-N 2 1 318.848 3.618 40 0 DHABMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000008377252 563346751 /nfs/dbraw/zinc/34/67/51/563346751.db2.gz NKEXPNYIDTUEHF-UHFFFAOYSA-N 2 1 318.848 3.618 40 0 DHABMP Cc1ccsc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000000251573 563819421 /nfs/dbraw/zinc/81/94/21/563819421.db2.gz PEWMPEANUHTMJN-UHFFFAOYSA-N 2 1 300.471 3.811 40 0 DHABMP Cc1noc(C)c1C[NH+]1CCC2(CCC[N@H+](CC(C)C)C2)CC1 ZINC000096071843 563532427 /nfs/dbraw/zinc/53/24/27/563532427.db2.gz INRCADLVTSNDSO-UHFFFAOYSA-N 2 1 319.493 3.625 40 0 DHABMP Cc1[nH+]cc2cncc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)n21 ZINC000257211336 563790545 /nfs/dbraw/zinc/79/05/45/563790545.db2.gz BYNANVUAGDRGBO-INIZCTEOSA-N 2 1 324.403 3.556 40 0 DHABMP Cc1[nH+]cc2cncc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)n21 ZINC000257211336 563790547 /nfs/dbraw/zinc/79/05/47/563790547.db2.gz BYNANVUAGDRGBO-INIZCTEOSA-N 2 1 324.403 3.556 40 0 DHABMP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257220300 563791016 /nfs/dbraw/zinc/79/10/16/563791016.db2.gz DKHXYHFKDQLUGA-AWEZNQCLSA-N 2 1 323.362 3.737 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000072355428 191128759 /nfs/dbraw/zinc/12/87/59/191128759.db2.gz BNWAUIWOIKFTPW-QGZVFWFLSA-N 2 1 324.453 3.974 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000072355428 191128760 /nfs/dbraw/zinc/12/87/60/191128760.db2.gz BNWAUIWOIKFTPW-QGZVFWFLSA-N 2 1 324.453 3.974 40 0 DHABMP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(OC(C)C)c3)C2)n1 ZINC000257210508 563789509 /nfs/dbraw/zinc/78/95/09/563789509.db2.gz BUYJOULVWLADLA-QGZVFWFLSA-N 2 1 313.445 3.505 40 0 DHABMP [NH3+]CCC[NH+](CCC[NH3+])CC1CCCCCCCCCCC1 ZINC000255187682 563927638 /nfs/dbraw/zinc/92/76/38/563927638.db2.gz GCRNPYVUJNMGDX-UHFFFAOYSA-N 3 1 311.558 3.907 40 0 DHABMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccoc2)CC3)c1 ZINC000096046524 563531999 /nfs/dbraw/zinc/53/19/99/563531999.db2.gz LFXUDSUQBOCIMU-UHFFFAOYSA-N 2 1 316.470 3.829 40 0 DHABMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000096268559 563536470 /nfs/dbraw/zinc/53/64/70/563536470.db2.gz HSFOUGDFPBXKSC-UHFFFAOYSA-N 2 1 312.379 3.623 40 0 DHABMP COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc(C)c[nH]4)C3)cc2c1 ZINC000257207746 563789612 /nfs/dbraw/zinc/78/96/12/563789612.db2.gz BJBCZLMOALORBA-CQSZACIVSA-N 2 1 324.428 3.588 40 0 DHABMP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257251186 563792170 /nfs/dbraw/zinc/79/21/70/563792170.db2.gz JPTKDIXDLAULGG-INIZCTEOSA-N 2 1 308.429 3.589 40 0 DHABMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCCCCCCCCC[NH3+] ZINC000115824210 1022977977 /nfs/dbraw/zinc/97/79/77/1022977977.db2.gz GJHDZMCLHCJVDO-OAHLLOKOSA-N 2 1 300.487 3.515 40 0 DHABMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000008377268 563346781 /nfs/dbraw/zinc/34/67/81/563346781.db2.gz UKTKEJDUAUPTKI-UHFFFAOYSA-N 2 1 318.848 3.618 40 0 DHABMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC(C)C)C3)cc1 ZINC000096215268 563535472 /nfs/dbraw/zinc/53/54/72/563535472.db2.gz XOLJLRIEHGBXJO-HXUWFJFHSA-N 2 1 316.489 3.639 40 0 DHABMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC(C)C)C3)cc1 ZINC000096215268 563535476 /nfs/dbraw/zinc/53/54/76/563535476.db2.gz XOLJLRIEHGBXJO-HXUWFJFHSA-N 2 1 316.489 3.639 40 0 DHABMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)cc1 ZINC000096215268 563535478 /nfs/dbraw/zinc/53/54/78/563535478.db2.gz XOLJLRIEHGBXJO-HXUWFJFHSA-N 2 1 316.489 3.639 40 0 DHABMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)cc1 ZINC000096215268 563535482 /nfs/dbraw/zinc/53/54/82/563535482.db2.gz XOLJLRIEHGBXJO-HXUWFJFHSA-N 2 1 316.489 3.639 40 0 DHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2ccccc23)o1 ZINC000096242597 563536641 /nfs/dbraw/zinc/53/66/41/563536641.db2.gz FPDQNKTUFNBEGT-UHFFFAOYSA-N 2 1 310.441 3.567 40 0 DHABMP c1ccc(Sc2cccc3c(N4CC[NH2+]CC4)cc[nH+]c23)cc1 ZINC000225321760 563752108 /nfs/dbraw/zinc/75/21/08/563752108.db2.gz JYHATTUVDFGHPO-UHFFFAOYSA-N 2 1 321.449 3.796 40 0 DHABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427907 1014596655 /nfs/dbraw/zinc/59/66/55/1014596655.db2.gz CUJWSDNZRFHQRJ-VSKRKVRLSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427907 1014596664 /nfs/dbraw/zinc/59/66/64/1014596664.db2.gz CUJWSDNZRFHQRJ-VSKRKVRLSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427907 1014596669 /nfs/dbraw/zinc/59/66/69/1014596669.db2.gz CUJWSDNZRFHQRJ-VSKRKVRLSA-N 2 1 320.480 3.681 40 0 DHABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCCCCCCCC[NH3+] ZINC000115824208 1022979403 /nfs/dbraw/zinc/97/94/03/1022979403.db2.gz GJHDZMCLHCJVDO-HNNXBMFYSA-N 2 1 300.487 3.515 40 0 DHABMP c1ccc(C[N@H+]2CCC[C@@]3(CC2)C[NH2+]Cc2ccccc2O3)cc1 ZINC000072394523 191149770 /nfs/dbraw/zinc/14/97/70/191149770.db2.gz HGUVJQWYQSMLET-OAQYLSRUSA-N 2 1 322.452 3.594 40 0 DHABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@H]2C1 ZINC000409427896 1014597017 /nfs/dbraw/zinc/59/70/17/1014597017.db2.gz CUJWSDNZRFHQRJ-BHIFYINESA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@H]2C1 ZINC000409427896 1014597026 /nfs/dbraw/zinc/59/70/26/1014597026.db2.gz CUJWSDNZRFHQRJ-BHIFYINESA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@H]2C1 ZINC000409427896 1014597035 /nfs/dbraw/zinc/59/70/35/1014597035.db2.gz CUJWSDNZRFHQRJ-BHIFYINESA-N 2 1 320.480 3.681 40 0 DHABMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096051549 563532575 /nfs/dbraw/zinc/53/25/75/563532575.db2.gz YSJOEEVONOSNIU-SFHVURJKSA-N 2 1 314.429 3.749 40 0 DHABMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]21 ZINC000096100668 563533563 /nfs/dbraw/zinc/53/35/63/563533563.db2.gz PYHIBNAVBFIASU-UFYCRDLUSA-N 2 1 310.441 3.890 40 0 DHABMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]21 ZINC000096100668 563533565 /nfs/dbraw/zinc/53/35/65/563533565.db2.gz PYHIBNAVBFIASU-UFYCRDLUSA-N 2 1 310.441 3.890 40 0 DHABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000096100668 563533566 /nfs/dbraw/zinc/53/35/66/563533566.db2.gz PYHIBNAVBFIASU-UFYCRDLUSA-N 2 1 310.441 3.890 40 0 DHABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000096100668 563533569 /nfs/dbraw/zinc/53/35/69/563533569.db2.gz PYHIBNAVBFIASU-UFYCRDLUSA-N 2 1 310.441 3.890 40 0 DHABMP CCCn1ccnc1CN1CCC[C@@H]1CCc1ccnc(C)c1 ZINC000257258990 563792229 /nfs/dbraw/zinc/79/22/29/563792229.db2.gz KWJPPPKZBRGREC-GOSISDBHSA-N 2 1 312.461 3.594 40 0 DHABMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccccc3)C2)c1 ZINC000082169985 185174276 /nfs/dbraw/zinc/17/42/76/185174276.db2.gz RVZBMPXOBWFPHX-KRWDZBQOSA-N 2 1 300.471 3.750 40 0 DHABMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccccc3)C2)c1 ZINC000082169985 185174277 /nfs/dbraw/zinc/17/42/77/185174277.db2.gz RVZBMPXOBWFPHX-KRWDZBQOSA-N 2 1 300.471 3.750 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072379133 191140388 /nfs/dbraw/zinc/14/03/88/191140388.db2.gz SDWKIKQEGMFBBR-INIZCTEOSA-N 2 1 310.445 3.698 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379133 191140391 /nfs/dbraw/zinc/14/03/91/191140391.db2.gz SDWKIKQEGMFBBR-INIZCTEOSA-N 2 1 310.445 3.698 40 0 DHABMP CC(C)[N@H+](C)Cc1cncc2c1CC[NH+](Cc1cccs1)C2 ZINC000096189463 563535790 /nfs/dbraw/zinc/53/57/90/563535790.db2.gz UVZMKQVQUJGSBY-UHFFFAOYSA-N 2 1 315.486 3.542 40 0 DHABMP CC(C)[N@@H+](C)Cc1cncc2c1CC[NH+](Cc1cccs1)C2 ZINC000096189463 563535795 /nfs/dbraw/zinc/53/57/95/563535795.db2.gz UVZMKQVQUJGSBY-UHFFFAOYSA-N 2 1 315.486 3.542 40 0 DHABMP CC(C)[NH+](C)Cc1cncc2c1CC[N@H+](Cc1cccs1)C2 ZINC000096189463 563535797 /nfs/dbraw/zinc/53/57/97/563535797.db2.gz UVZMKQVQUJGSBY-UHFFFAOYSA-N 2 1 315.486 3.542 40 0 DHABMP CC(C)[NH+](C)Cc1cncc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096189463 563535801 /nfs/dbraw/zinc/53/58/01/563535801.db2.gz UVZMKQVQUJGSBY-UHFFFAOYSA-N 2 1 315.486 3.542 40 0 DHABMP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cccc3nccn32)c1 ZINC000257229787 563790863 /nfs/dbraw/zinc/79/08/63/563790863.db2.gz FZMBBQLIDXEKTB-MRXNPFEDSA-N 2 1 313.351 3.950 40 0 DHABMP Fc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cccc3nccn32)c1 ZINC000257229787 563790866 /nfs/dbraw/zinc/79/08/66/563790866.db2.gz FZMBBQLIDXEKTB-MRXNPFEDSA-N 2 1 313.351 3.950 40 0 DHABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@H]2C1 ZINC000409427905 1014597234 /nfs/dbraw/zinc/59/72/34/1014597234.db2.gz CUJWSDNZRFHQRJ-FSSWDIPSSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@H]2C1 ZINC000409427905 1014597240 /nfs/dbraw/zinc/59/72/40/1014597240.db2.gz CUJWSDNZRFHQRJ-FSSWDIPSSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@H]2C1 ZINC000409427905 1014597244 /nfs/dbraw/zinc/59/72/44/1014597244.db2.gz CUJWSDNZRFHQRJ-FSSWDIPSSA-N 2 1 320.480 3.681 40 0 DHABMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccccc3)C2)c1 ZINC000064616034 184301484 /nfs/dbraw/zinc/30/14/84/184301484.db2.gz RVZBMPXOBWFPHX-QGZVFWFLSA-N 2 1 300.471 3.750 40 0 DHABMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccccc3)C2)c1 ZINC000064616034 184301486 /nfs/dbraw/zinc/30/14/86/184301486.db2.gz RVZBMPXOBWFPHX-QGZVFWFLSA-N 2 1 300.471 3.750 40 0 DHABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008377155 563346338 /nfs/dbraw/zinc/34/63/38/563346338.db2.gz DEKFWDOZRPDKKA-UHFFFAOYSA-N 2 1 313.228 3.953 40 0 DHABMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]21 ZINC000096058324 563532318 /nfs/dbraw/zinc/53/23/18/563532318.db2.gz BJZHWWAUOXWVNP-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]21 ZINC000096058324 563532321 /nfs/dbraw/zinc/53/23/21/563532321.db2.gz BJZHWWAUOXWVNP-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096058324 563532325 /nfs/dbraw/zinc/53/23/25/563532325.db2.gz BJZHWWAUOXWVNP-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096058324 563532328 /nfs/dbraw/zinc/53/23/28/563532328.db2.gz BJZHWWAUOXWVNP-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C)[C@H]3C2)cc1 ZINC000096058314 563532796 /nfs/dbraw/zinc/53/27/96/563532796.db2.gz PTOULLKYIUEFKL-ACRUOGEOSA-N 2 1 322.452 3.527 40 0 DHABMP COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C)[C@H]3C2)cc1 ZINC000096058314 563532799 /nfs/dbraw/zinc/53/27/99/563532799.db2.gz PTOULLKYIUEFKL-ACRUOGEOSA-N 2 1 322.452 3.527 40 0 DHABMP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257251187 563792384 /nfs/dbraw/zinc/79/23/84/563792384.db2.gz JPTKDIXDLAULGG-MRXNPFEDSA-N 2 1 308.429 3.589 40 0 DHABMP Cc1cc(CC[C@H]2CCCN2Cc2nccn2C(C)C)ccn1 ZINC000257265784 563792604 /nfs/dbraw/zinc/79/26/04/563792604.db2.gz MAFRZYJQMINMCW-GOSISDBHSA-N 2 1 312.461 3.765 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000072355427 191129226 /nfs/dbraw/zinc/12/92/26/191129226.db2.gz BNWAUIWOIKFTPW-KRWDZBQOSA-N 2 1 324.453 3.974 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000072355427 191129229 /nfs/dbraw/zinc/12/92/29/191129229.db2.gz BNWAUIWOIKFTPW-KRWDZBQOSA-N 2 1 324.453 3.974 40 0 DHABMP Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CCC[NH2+]C3)c2)sc1C ZINC000257314826 203037721 /nfs/dbraw/zinc/03/77/21/203037721.db2.gz UYQHGSQPEJOQFO-CYBMUJFWSA-N 2 1 302.447 3.674 40 0 DHABMP COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc(C)c[nH]4)C3)cc2c1 ZINC000257207745 563789554 /nfs/dbraw/zinc/78/95/54/563789554.db2.gz BJBCZLMOALORBA-AWEZNQCLSA-N 2 1 324.428 3.588 40 0 DHABMP Cc1[nH+]cc2cncc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)n21 ZINC000257211337 563790825 /nfs/dbraw/zinc/79/08/25/563790825.db2.gz BYNANVUAGDRGBO-MRXNPFEDSA-N 2 1 324.403 3.556 40 0 DHABMP Cc1[nH+]cc2cncc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)n21 ZINC000257211337 563790828 /nfs/dbraw/zinc/79/08/28/563790828.db2.gz BYNANVUAGDRGBO-MRXNPFEDSA-N 2 1 324.403 3.556 40 0 DHABMP CNc1cccc(CC[C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000257227699 563790921 /nfs/dbraw/zinc/79/09/21/563790921.db2.gz FQMQOAPBKDLIHM-SFHVURJKSA-N 2 1 310.445 3.506 40 0 DHABMP Cc1nc(Nc2cc(C)[nH+]c([C@H]3CCC[NH2+]C3)c2)sc1C ZINC000257314827 203038593 /nfs/dbraw/zinc/03/85/93/203038593.db2.gz UYQHGSQPEJOQFO-ZDUSSCGKSA-N 2 1 302.447 3.674 40 0 DHABMP Cc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000034797524 563452027 /nfs/dbraw/zinc/45/20/27/563452027.db2.gz XEDADXIAJZKBRM-LEWJYISDSA-N 2 1 308.469 3.648 40 0 biogenic DHABMP Cc1ccc(C[C@H]2C[N@@H+](C)CC[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000034797524 563452031 /nfs/dbraw/zinc/45/20/31/563452031.db2.gz XEDADXIAJZKBRM-LEWJYISDSA-N 2 1 308.469 3.648 40 0 biogenic DHABMP Cc1nc(C[NH+]2CCC3(CCC[N@H+](CC4CC4)C3)CC2)cs1 ZINC000096217524 563535767 /nfs/dbraw/zinc/53/57/67/563535767.db2.gz ZYKCCPGMBLTLCL-UHFFFAOYSA-N 2 1 319.518 3.540 40 0 DHABMP Cc1nc(C[NH+]2CCC3(CCC[N@@H+](CC4CC4)C3)CC2)cs1 ZINC000096217524 563535770 /nfs/dbraw/zinc/53/57/70/563535770.db2.gz ZYKCCPGMBLTLCL-UHFFFAOYSA-N 2 1 319.518 3.540 40 0 DHABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)Cc1ccccc12 ZINC000096242384 563536426 /nfs/dbraw/zinc/53/64/26/563536426.db2.gz KQNJCSBDFWAVIV-UHFFFAOYSA-N 2 1 312.482 3.727 40 0 DHABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008377133 563346449 /nfs/dbraw/zinc/34/64/49/563346449.db2.gz VKDHBXCCSKNNAP-UHFFFAOYSA-N 2 1 313.228 3.953 40 0 DHABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008377130 563346729 /nfs/dbraw/zinc/34/67/29/563346729.db2.gz YBIRIMADSJWJCO-UHFFFAOYSA-N 2 1 313.228 3.953 40 0 DHABMP CCCn1ccnc1CN1CCC[C@H]1CCc1ccnc(C)c1 ZINC000257258991 563792772 /nfs/dbraw/zinc/79/27/72/563792772.db2.gz KWJPPPKZBRGREC-SFHVURJKSA-N 2 1 312.461 3.594 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000072379132 191141076 /nfs/dbraw/zinc/14/10/76/191141076.db2.gz SDWKIKQEGMFBBR-MRXNPFEDSA-N 2 1 310.445 3.698 40 0 DHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379132 191141077 /nfs/dbraw/zinc/14/10/77/191141077.db2.gz SDWKIKQEGMFBBR-MRXNPFEDSA-N 2 1 310.445 3.698 40 0 DHABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000072379138 191140812 /nfs/dbraw/zinc/14/08/12/191140812.db2.gz XPPJFTAANPYHHF-UHFFFAOYSA-N 2 1 310.445 3.698 40 0 DHABMP CN1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341604 563503761 /nfs/dbraw/zinc/50/37/61/563503761.db2.gz MSHNPNGYEYSRMB-HKUYNNGSSA-N 2 1 314.860 3.918 40 0 DHABMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427909 1014596129 /nfs/dbraw/zinc/59/61/29/1014596129.db2.gz CUJWSDNZRFHQRJ-YPAWHYETSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427909 1014596139 /nfs/dbraw/zinc/59/61/39/1014596139.db2.gz CUJWSDNZRFHQRJ-YPAWHYETSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427909 1014596160 /nfs/dbraw/zinc/59/61/60/1014596160.db2.gz CUJWSDNZRFHQRJ-YPAWHYETSA-N 2 1 320.480 3.681 40 0 DHABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)Cc1ccccc1O2 ZINC000019588428 182132143 /nfs/dbraw/zinc/13/21/43/182132143.db2.gz LGYZVQWVAZVFAJ-UHFFFAOYSA-N 2 1 322.452 3.546 40 0 DHABMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096051545 563532787 /nfs/dbraw/zinc/53/27/87/563532787.db2.gz BOSOMMKZXZCNGS-SFHVURJKSA-N 2 1 314.429 3.749 40 0 DHABMP c1ccc(C[N@H+]2CCC[C@]3(CC2)C[NH2+]Cc2ccccc2O3)cc1 ZINC000072394524 191149147 /nfs/dbraw/zinc/14/91/47/191149147.db2.gz HGUVJQWYQSMLET-NRFANRHFSA-N 2 1 322.452 3.594 40 0 DHABMP Cc1cc(CC[C@@H]2CCCN2Cc2nccn2C(C)C)ccn1 ZINC000257265785 563792461 /nfs/dbraw/zinc/79/24/61/563792461.db2.gz MAFRZYJQMINMCW-SFHVURJKSA-N 2 1 312.461 3.765 40 0 DHABMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccccc34)cc2)CC1 ZINC000001507915 568421640 /nfs/dbraw/zinc/42/16/40/568421640.db2.gz RXXDJBWYJTWSKV-UHFFFAOYSA-N 2 1 318.424 3.730 40 0 in-vivo DHABMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)cc1 ZINC000096215266 563535591 /nfs/dbraw/zinc/53/55/91/563535591.db2.gz XOLJLRIEHGBXJO-FQEVSTJZSA-N 2 1 316.489 3.639 40 0 DHABMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)C)C3)cc1 ZINC000096215266 563535592 /nfs/dbraw/zinc/53/55/92/563535592.db2.gz XOLJLRIEHGBXJO-FQEVSTJZSA-N 2 1 316.489 3.639 40 0 DHABMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)cc1 ZINC000096215266 563535594 /nfs/dbraw/zinc/53/55/94/563535594.db2.gz XOLJLRIEHGBXJO-FQEVSTJZSA-N 2 1 316.489 3.639 40 0 DHABMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)cc1 ZINC000096215266 563535595 /nfs/dbraw/zinc/53/55/95/563535595.db2.gz XOLJLRIEHGBXJO-FQEVSTJZSA-N 2 1 316.489 3.639 40 0 DHABMP CN1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341605 563503726 /nfs/dbraw/zinc/50/37/26/563503726.db2.gz MSHNPNGYEYSRMB-PKOBYXMFSA-N 2 1 314.860 3.918 40 0 DHABMP Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C)[C@H]3C2)s1 ZINC000096058312 563532208 /nfs/dbraw/zinc/53/22/08/563532208.db2.gz RIHOELGKHNDUPQ-FHWLQOOXSA-N 2 1 312.482 3.888 40 0 DHABMP Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C)[C@H]3C2)s1 ZINC000096058312 563532212 /nfs/dbraw/zinc/53/22/12/563532212.db2.gz RIHOELGKHNDUPQ-FHWLQOOXSA-N 2 1 312.482 3.888 40 0 DHABMP CNc1cccc(CC[C@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000257227698 563790805 /nfs/dbraw/zinc/79/08/05/563790805.db2.gz FQMQOAPBKDLIHM-GOSISDBHSA-N 2 1 310.445 3.506 40 0 DHABMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096058325 563532645 /nfs/dbraw/zinc/53/26/45/563532645.db2.gz YNTUNVVOQDZLPY-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096058325 563532649 /nfs/dbraw/zinc/53/26/49/563532649.db2.gz YNTUNVVOQDZLPY-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096058325 563532653 /nfs/dbraw/zinc/53/26/53/563532653.db2.gz YNTUNVVOQDZLPY-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096058325 563532655 /nfs/dbraw/zinc/53/26/55/563532655.db2.gz YNTUNVVOQDZLPY-ACRUOGEOSA-N 2 1 321.468 3.692 40 0 DHABMP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(OC(C)C)c3)C2)n1 ZINC000257210507 563789873 /nfs/dbraw/zinc/78/98/73/563789873.db2.gz BUYJOULVWLADLA-KRWDZBQOSA-N 2 1 313.445 3.505 40 0 DHABMP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000257220301 563790702 /nfs/dbraw/zinc/79/07/02/563790702.db2.gz DKHXYHFKDQLUGA-CQSZACIVSA-N 2 1 323.362 3.737 40 0 DHABMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096051548 563532130 /nfs/dbraw/zinc/53/21/30/563532130.db2.gz YSJOEEVONOSNIU-GOSISDBHSA-N 2 1 314.429 3.749 40 0 DHABMP CCCCCC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000001666579 563290028 /nfs/dbraw/zinc/29/00/28/563290028.db2.gz QJSAJCHTOMBQHS-CYBMUJFWSA-N 2 1 307.829 3.505 40 0 DHABMP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)s1 ZINC000096049298 563532032 /nfs/dbraw/zinc/53/20/32/563532032.db2.gz GOLSMGIQDGHKTG-UHFFFAOYSA-N 2 1 304.503 3.897 40 0 DHABMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)s1 ZINC000096049298 563532035 /nfs/dbraw/zinc/53/20/35/563532035.db2.gz GOLSMGIQDGHKTG-UHFFFAOYSA-N 2 1 304.503 3.897 40 0 DHABMP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096058313 563532555 /nfs/dbraw/zinc/53/25/55/563532555.db2.gz GVWQHTDXXGHFEL-UFYCRDLUSA-N 2 1 310.416 3.658 40 0 DHABMP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096058313 563532557 /nfs/dbraw/zinc/53/25/57/563532557.db2.gz GVWQHTDXXGHFEL-UFYCRDLUSA-N 2 1 310.416 3.658 40 0 DHABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1 ZINC000096205892 563535719 /nfs/dbraw/zinc/53/57/19/563535719.db2.gz NEIWPXCNNIFREW-TZIWHRDSSA-N 2 1 324.468 3.525 40 0 DHABMP Fc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cccc3nccn32)c1 ZINC000257229786 563790621 /nfs/dbraw/zinc/79/06/21/563790621.db2.gz FZMBBQLIDXEKTB-INIZCTEOSA-N 2 1 313.351 3.950 40 0 DHABMP Fc1cc(F)cc(C[N@H+]2CCC[C@H]2c2cccc3nccn32)c1 ZINC000257229786 563790625 /nfs/dbraw/zinc/79/06/25/563790625.db2.gz FZMBBQLIDXEKTB-INIZCTEOSA-N 2 1 313.351 3.950 40 0 DHABMP C[NH+](C)CCC[NH+]1CCC2(CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000001680246 563290974 /nfs/dbraw/zinc/29/09/74/563290974.db2.gz BJDREZAXPCVNLF-CQSZACIVSA-N 2 1 306.416 3.773 40 0 DHABMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096051544 563532154 /nfs/dbraw/zinc/53/21/54/563532154.db2.gz BOSOMMKZXZCNGS-GOSISDBHSA-N 2 1 314.429 3.749 40 0 DHABMP