smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019882598 384548642 /nfs/dbraw/zinc/54/86/42/384548642.db2.gz SRVKIODGZNZASY-SSDOTTSWSA-N 1 2 248.153 3.587 20 10 BHCDLO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019882599 171342867 /nfs/dbraw/zinc/34/28/67/171342867.db2.gz SRVKIODGZNZASY-ZETCQYMHSA-N 1 2 248.153 3.587 20 10 BHCDLO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019907081 384555986 /nfs/dbraw/zinc/55/59/86/384555986.db2.gz FHKCWLKJJJDRJO-UHFFFAOYSA-N 1 2 248.153 3.589 20 10 BHCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)C ZINC000133896823 591867900 /nfs/dbraw/zinc/86/79/00/591867900.db2.gz RSGCVTYTTDBUME-SECBINFHSA-N 1 2 241.762 3.570 20 10 BHCDLO CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000134900503 591957496 /nfs/dbraw/zinc/95/74/96/591957496.db2.gz HXVCHWPCDZTJHW-ZETCQYMHSA-N 1 2 248.153 3.760 20 10 BHCDLO CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000134900526 591957637 /nfs/dbraw/zinc/95/76/37/591957637.db2.gz HXVCHWPCDZTJHW-SSDOTTSWSA-N 1 2 248.153 3.760 20 10 BHCDLO C[C@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1O ZINC000134901633 388480468 /nfs/dbraw/zinc/48/04/68/388480468.db2.gz CBFXCGJWGYBGGB-LURJTMIESA-N 1 2 246.137 3.512 20 10 BHCDLO C[C@@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1O ZINC000134901656 388480308 /nfs/dbraw/zinc/48/03/08/388480308.db2.gz CBFXCGJWGYBGGB-ZCFIWIBFSA-N 1 2 246.137 3.512 20 10 BHCDLO Cc1ccc([C@@H](C)Nc2ccc(C)[nH+]c2)c(O)c1 ZINC000154240892 385310975 /nfs/dbraw/zinc/31/09/75/385310975.db2.gz DWLLSUMFEVBZLZ-GFCCVEGCSA-N 1 2 242.322 3.577 20 10 BHCDLO Cc1ccc([C@H](C)Nc2ccc(C)[nH+]c2)c(O)c1 ZINC000154240975 385309819 /nfs/dbraw/zinc/30/98/19/385309819.db2.gz DWLLSUMFEVBZLZ-LBPRGKRZSA-N 1 2 242.322 3.577 20 10 BHCDLO Cc1ccc(O)c([C@@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000154245529 385309752 /nfs/dbraw/zinc/30/97/52/385309752.db2.gz AGCAPTAIRIFTCX-GFCCVEGCSA-N 1 2 242.322 3.577 20 10 BHCDLO Cc1ccc(O)c([C@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000154245630 385310612 /nfs/dbraw/zinc/31/06/12/385310612.db2.gz AGCAPTAIRIFTCX-LBPRGKRZSA-N 1 2 242.322 3.577 20 10 BHCDLO CC[C@H](Nc1ccc(C)[nH+]c1)c1ccccc1O ZINC000154260761 385312348 /nfs/dbraw/zinc/31/23/48/385312348.db2.gz NZHNIRGVAKHUAV-AWEZNQCLSA-N 1 2 242.322 3.659 20 10 BHCDLO CC[C@@H](Nc1ccc(C)[nH+]c1)c1ccccc1O ZINC000154260840 346321018 /nfs/dbraw/zinc/32/10/18/346321018.db2.gz NZHNIRGVAKHUAV-CQSZACIVSA-N 1 2 242.322 3.659 20 10 BHCDLO CC(C)(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000162516323 633031764 /nfs/dbraw/zinc/03/17/64/633031764.db2.gz NLUDWYSHNITGJO-UHFFFAOYSA-N 1 2 241.762 3.571 20 10 BHCDLO CCCC(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000162610777 634227904 /nfs/dbraw/zinc/22/79/04/634227904.db2.gz FZASUKNHEXNNMS-UHFFFAOYSA-N 1 2 241.762 3.714 20 10 BHCDLO CCCC[N@@H+](CC)Cc1cccc(Cl)c1O ZINC000162807051 634479237 /nfs/dbraw/zinc/47/92/37/634479237.db2.gz FDKTWUGYRHESJD-UHFFFAOYSA-N 1 2 241.762 3.668 20 10 BHCDLO CCCC[N@H+](CC)Cc1cccc(Cl)c1O ZINC000162807051 634479235 /nfs/dbraw/zinc/47/92/35/634479235.db2.gz FDKTWUGYRHESJD-UHFFFAOYSA-N 1 2 241.762 3.668 20 10 BHCDLO CC(C)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000162810256 711680502 /nfs/dbraw/zinc/68/05/02/711680502.db2.gz BMGPCFNXRYTSJU-UHFFFAOYSA-N 1 2 241.762 3.524 20 10 BHCDLO CC(C)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000162810256 711680500 /nfs/dbraw/zinc/68/05/00/711680500.db2.gz BMGPCFNXRYTSJU-UHFFFAOYSA-N 1 2 241.762 3.524 20 10 BHCDLO CCC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000162812635 711680384 /nfs/dbraw/zinc/68/03/84/711680384.db2.gz IUELXUICJPIURC-SNVBAGLBSA-N 1 2 241.762 3.666 20 10 BHCDLO CCC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1O ZINC000162812635 711680382 /nfs/dbraw/zinc/68/03/82/711680382.db2.gz IUELXUICJPIURC-SNVBAGLBSA-N 1 2 241.762 3.666 20 10 BHCDLO CCC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000162812719 634561447 /nfs/dbraw/zinc/56/14/47/634561447.db2.gz IUELXUICJPIURC-JTQLQIEISA-N 1 2 241.762 3.666 20 10 BHCDLO CCC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1O ZINC000162812719 634561437 /nfs/dbraw/zinc/56/14/37/634561437.db2.gz IUELXUICJPIURC-JTQLQIEISA-N 1 2 241.762 3.666 20 10 BHCDLO C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(C)C ZINC000162815651 634567085 /nfs/dbraw/zinc/56/70/85/634567085.db2.gz LRAGYUREHDHFPE-UHFFFAOYSA-N 1 2 241.762 3.524 20 10 BHCDLO C[N@H+](Cc1cccc(Cl)c1O)CC(C)(C)C ZINC000162815651 634567080 /nfs/dbraw/zinc/56/70/80/634567080.db2.gz LRAGYUREHDHFPE-UHFFFAOYSA-N 1 2 241.762 3.524 20 10 BHCDLO CCCCCC[NH2+]Cc1cccc(Cl)c1O ZINC000162822711 635133367 /nfs/dbraw/zinc/13/33/67/635133367.db2.gz XIUFJQABRCQBFJ-UHFFFAOYSA-N 1 2 241.762 3.716 20 10 BHCDLO CC(C)CCC[NH2+]Cc1cccc(Cl)c1O ZINC000162827213 633039208 /nfs/dbraw/zinc/03/92/08/633039208.db2.gz AANALLDCJOSDPZ-UHFFFAOYSA-N 1 2 241.762 3.571 20 10 BHCDLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162830810 635138296 /nfs/dbraw/zinc/13/82/96/635138296.db2.gz MDQLSTJIGMDOKM-NXEZZACHSA-N 1 2 241.762 3.570 20 10 BHCDLO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162830921 633039403 /nfs/dbraw/zinc/03/94/03/633039403.db2.gz MDQLSTJIGMDOKM-VHSXEESVSA-N 1 2 241.762 3.570 20 10 BHCDLO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162831048 633039888 /nfs/dbraw/zinc/03/98/88/633039888.db2.gz MDQLSTJIGMDOKM-ZJUUUORDSA-N 1 2 241.762 3.570 20 10 BHCDLO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162831167 635138518 /nfs/dbraw/zinc/13/85/18/635138518.db2.gz MDQLSTJIGMDOKM-UWVGGRQHSA-N 1 2 241.762 3.570 20 10 BHCDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C(C)C ZINC000162831796 635142016 /nfs/dbraw/zinc/14/20/16/635142016.db2.gz KWJMRIKZDZEMIN-LBPRGKRZSA-N 1 2 241.762 3.570 20 10 BHCDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)C ZINC000162831900 635141828 /nfs/dbraw/zinc/14/18/28/635141828.db2.gz KWJMRIKZDZEMIN-GFCCVEGCSA-N 1 2 241.762 3.570 20 10 BHCDLO CCC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1O ZINC000162861899 635143896 /nfs/dbraw/zinc/14/38/96/635143896.db2.gz BIWXOIXCGDOPRC-LLVKDONJSA-N 1 2 241.762 3.714 20 10 BHCDLO CCC[C@H](CC)[NH2+]Cc1cccc(Cl)c1O ZINC000162862020 633039822 /nfs/dbraw/zinc/03/98/22/633039822.db2.gz BIWXOIXCGDOPRC-NSHDSACASA-N 1 2 241.762 3.714 20 10 BHCDLO CC(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162871868 635144578 /nfs/dbraw/zinc/14/45/78/635144578.db2.gz ORWOMLCYSLKTIH-SNVBAGLBSA-N 1 2 241.762 3.570 20 10 BHCDLO CC(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162871980 635143431 /nfs/dbraw/zinc/14/34/31/635143431.db2.gz ORWOMLCYSLKTIH-JTQLQIEISA-N 1 2 241.762 3.570 20 10 BHCDLO CCC(C)(C)C[NH2+]Cc1cccc(Cl)c1O ZINC000189993618 641829643 /nfs/dbraw/zinc/82/96/43/641829643.db2.gz ODDVQFCYFQKMPK-UHFFFAOYSA-N 1 2 241.762 3.571 20 10 BHCDLO CCC(CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191180864 168391213 /nfs/dbraw/zinc/39/12/13/168391213.db2.gz CIFCFRNRRHVLRL-QMMMGPOBSA-N 1 2 243.297 3.510 20 10 BHCDLO CCC(CC)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191180878 168392865 /nfs/dbraw/zinc/39/28/65/168392865.db2.gz CIFCFRNRRHVLRL-MRVPVSSYSA-N 1 2 243.297 3.510 20 10 BHCDLO Cc1cccc(C)c1CN(C)c1ccc([NH3+])cc1 ZINC000215429696 591947919 /nfs/dbraw/zinc/94/79/19/591947919.db2.gz PENONDLPNTWQBC-UHFFFAOYSA-N 1 2 240.350 3.522 20 10 BHCDLO CC[C@@H]([NH2+]C1CCC1)c1cccc(Cl)c1O ZINC000287830870 387515348 /nfs/dbraw/zinc/51/53/48/387515348.db2.gz VRIPVWPXVJFYIX-GFCCVEGCSA-N 1 2 239.746 3.639 20 10 BHCDLO CC[C@H]([NH2+]C1CCC1)c1cccc(Cl)c1O ZINC000287830874 387514933 /nfs/dbraw/zinc/51/49/33/387514933.db2.gz VRIPVWPXVJFYIX-LBPRGKRZSA-N 1 2 239.746 3.639 20 10 BHCDLO CC[C@@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000309422498 632048206 /nfs/dbraw/zinc/04/82/06/632048206.db2.gz DUOFLHQRHDSCEN-BXKDBHETSA-N 1 2 241.762 3.885 20 10 BHCDLO CC[C@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000309422500 711697382 /nfs/dbraw/zinc/69/73/82/711697382.db2.gz DUOFLHQRHDSCEN-CABZTGNLSA-N 1 2 241.762 3.885 20 10 BHCDLO CC[C@@H]([NH2+][C@@H](C)CC)c1cccc(Cl)c1O ZINC000309422501 633049208 /nfs/dbraw/zinc/04/92/08/633049208.db2.gz DUOFLHQRHDSCEN-JOYOIKCWSA-N 1 2 241.762 3.885 20 10 BHCDLO CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000309422502 633049592 /nfs/dbraw/zinc/04/95/92/633049592.db2.gz DUOFLHQRHDSCEN-SKDRFNHKSA-N 1 2 241.762 3.885 20 10 BHCDLO CC(C)C(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000309661739 632628282 /nfs/dbraw/zinc/62/82/82/632628282.db2.gz GGQHMYMBIAQYRB-UHFFFAOYSA-N 1 2 241.762 3.570 20 10 BHCDLO CCCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000310013573 634075515 /nfs/dbraw/zinc/07/55/15/634075515.db2.gz JUBZUJXLFZWJFP-GFCCVEGCSA-N 1 2 241.762 3.886 20 10 BHCDLO CCCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000310013574 634075478 /nfs/dbraw/zinc/07/54/78/634075478.db2.gz JUBZUJXLFZWJFP-LBPRGKRZSA-N 1 2 241.762 3.886 20 10 BHCDLO CC[C@@H]([NH2+]CC(C)C)c1cccc(Cl)c1O ZINC000381484838 710644894 /nfs/dbraw/zinc/64/48/94/710644894.db2.gz UVRKHICOIMXNOJ-GFCCVEGCSA-N 1 2 241.762 3.742 20 10 BHCDLO CC[C@H]([NH2+]CC(C)C)c1cccc(Cl)c1O ZINC000381484839 710645150 /nfs/dbraw/zinc/64/51/50/710645150.db2.gz UVRKHICOIMXNOJ-LBPRGKRZSA-N 1 2 241.762 3.742 20 10 BHCDLO CCOc1ccc([N@@H+](C)CCC(C)C)cc1 ZINC000739922590 585086260 /nfs/dbraw/zinc/08/62/60/585086260.db2.gz MZIAEFOQGZKYKZ-UHFFFAOYSA-N 1 2 221.344 3.568 20 10 BHCDLO CCOc1ccc([N@H+](C)CCC(C)C)cc1 ZINC000739922590 585086259 /nfs/dbraw/zinc/08/62/59/585086259.db2.gz MZIAEFOQGZKYKZ-UHFFFAOYSA-N 1 2 221.344 3.568 20 10 BHCDLO CCCCC[N@@H+](C)c1ccc(OCC)cc1 ZINC000739923803 585086557 /nfs/dbraw/zinc/08/65/57/585086557.db2.gz LPIDMSDOWIFMIU-UHFFFAOYSA-N 1 2 221.344 3.712 20 10 BHCDLO CCCCC[N@H+](C)c1ccc(OCC)cc1 ZINC000739923803 585086556 /nfs/dbraw/zinc/08/65/56/585086556.db2.gz LPIDMSDOWIFMIU-UHFFFAOYSA-N 1 2 221.344 3.712 20 10 BHCDLO CCOc1ccc([N@@H+](C)CC2CCCC2)cc1 ZINC000739926588 585086402 /nfs/dbraw/zinc/08/64/02/585086402.db2.gz ICAOMBKJGFLWQL-UHFFFAOYSA-N 1 2 233.355 3.712 20 10 BHCDLO CCOc1ccc([N@H+](C)CC2CCCC2)cc1 ZINC000739926588 585086401 /nfs/dbraw/zinc/08/64/01/585086401.db2.gz ICAOMBKJGFLWQL-UHFFFAOYSA-N 1 2 233.355 3.712 20 10 BHCDLO CCOc1ccc([N@@H+](CC)CC2CCC2)cc1 ZINC000744391821 585149923 /nfs/dbraw/zinc/14/99/23/585149923.db2.gz LDQNATSVNBFATA-UHFFFAOYSA-N 1 2 233.355 3.712 20 10 BHCDLO CCOc1ccc([N@H+](CC)CC2CCC2)cc1 ZINC000744391821 585149922 /nfs/dbraw/zinc/14/99/22/585149922.db2.gz LDQNATSVNBFATA-UHFFFAOYSA-N 1 2 233.355 3.712 20 10 BHCDLO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756342151 585317994 /nfs/dbraw/zinc/31/79/94/585317994.db2.gz NXQPKUKSXCNFSL-BDAKNGLRSA-N 1 2 243.297 3.510 20 10 BHCDLO CCC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756342158 585318140 /nfs/dbraw/zinc/31/81/40/585318140.db2.gz NXQPKUKSXCNFSL-DTWKUNHWSA-N 1 2 243.297 3.510 20 10 BHCDLO CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756342159 585317954 /nfs/dbraw/zinc/31/79/54/585317954.db2.gz NXQPKUKSXCNFSL-IUCAKERBSA-N 1 2 243.297 3.510 20 10 BHCDLO CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756342160 585318107 /nfs/dbraw/zinc/31/81/07/585318107.db2.gz NXQPKUKSXCNFSL-RKDXNWHRSA-N 1 2 243.297 3.510 20 10 BHCDLO CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756344676 585317967 /nfs/dbraw/zinc/31/79/67/585317967.db2.gz UQUWCIKWFLTTEB-SECBINFHSA-N 1 2 243.297 3.511 20 10 BHCDLO CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756344678 585317962 /nfs/dbraw/zinc/31/79/62/585317962.db2.gz UQUWCIKWFLTTEB-VIFPVBQESA-N 1 2 243.297 3.511 20 10 BHCDLO CCC(CC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756345725 644625825 /nfs/dbraw/zinc/62/58/25/644625825.db2.gz YAGBKDOISZOIOH-MRVPVSSYSA-N 1 2 243.297 3.510 20 10 BHCDLO CCC(CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756345727 644624851 /nfs/dbraw/zinc/62/48/51/644624851.db2.gz YAGBKDOISZOIOH-QMMMGPOBSA-N 1 2 243.297 3.510 20 10 BHCDLO COc1ccc([N@@H+](CCCF)CC(C)C)cc1 ZINC000766866094 585508842 /nfs/dbraw/zinc/50/88/42/585508842.db2.gz CFVRETUTDDEGPO-UHFFFAOYSA-N 1 2 239.334 3.517 20 10 BHCDLO COc1ccc([N@H+](CCCF)CC(C)C)cc1 ZINC000766866094 585508841 /nfs/dbraw/zinc/50/88/41/585508841.db2.gz CFVRETUTDDEGPO-UHFFFAOYSA-N 1 2 239.334 3.517 20 10 BHCDLO CCOc1ccc([N@@H+](C)CCCCCF)cc1 ZINC000792868910 586006085 /nfs/dbraw/zinc/00/60/85/586006085.db2.gz YOQQLYHGXHBOOZ-UHFFFAOYSA-N 1 2 239.334 3.661 20 10 BHCDLO CCOc1ccc([N@H+](C)CCCCCF)cc1 ZINC000792868910 586006084 /nfs/dbraw/zinc/00/60/84/586006084.db2.gz YOQQLYHGXHBOOZ-UHFFFAOYSA-N 1 2 239.334 3.661 20 10 BHCDLO CC[N@@H+](CCCCCF)c1ccc(OC)cc1 ZINC000792870881 586006080 /nfs/dbraw/zinc/00/60/80/586006080.db2.gz KGEVKCZDAFHXNM-UHFFFAOYSA-N 1 2 239.334 3.661 20 10 BHCDLO CC[N@H+](CCCCCF)c1ccc(OC)cc1 ZINC000792870881 586006079 /nfs/dbraw/zinc/00/60/79/586006079.db2.gz KGEVKCZDAFHXNM-UHFFFAOYSA-N 1 2 239.334 3.661 20 10 BHCDLO CCOc1ccc([N@@H+](CC)CCCCF)cc1 ZINC000795942789 586095018 /nfs/dbraw/zinc/09/50/18/586095018.db2.gz CMGKNWDGLHNAJE-UHFFFAOYSA-N 1 2 239.334 3.661 20 10 BHCDLO CCOc1ccc([N@H+](CC)CCCCF)cc1 ZINC000795942789 586095017 /nfs/dbraw/zinc/09/50/17/586095017.db2.gz CMGKNWDGLHNAJE-UHFFFAOYSA-N 1 2 239.334 3.661 20 10 BHCDLO CC(C)Oc1ccc([N@@H+](C)CCCCF)cc1 ZINC000796040774 586096857 /nfs/dbraw/zinc/09/68/57/586096857.db2.gz JFGAFNMUENWCAJ-UHFFFAOYSA-N 1 2 239.334 3.660 20 10 BHCDLO CC(C)Oc1ccc([N@H+](C)CCCCF)cc1 ZINC000796040774 586096856 /nfs/dbraw/zinc/09/68/56/586096856.db2.gz JFGAFNMUENWCAJ-UHFFFAOYSA-N 1 2 239.334 3.660 20 10 BHCDLO CCC(CC)[N@@H+](CC)Cc1cccc(F)c1O ZINC000809787395 586519922 /nfs/dbraw/zinc/51/99/22/586519922.db2.gz BQPSHILDLZOGNT-UHFFFAOYSA-N 1 2 239.334 3.542 20 10 BHCDLO CCC(CC)[N@H+](CC)Cc1cccc(F)c1O ZINC000809787395 586519921 /nfs/dbraw/zinc/51/99/21/586519921.db2.gz BQPSHILDLZOGNT-UHFFFAOYSA-N 1 2 239.334 3.542 20 10 BHCDLO [NH3+]c1ccc(NCc2cccc(C3CC3)c2)cc1 ZINC000817864928 586830542 /nfs/dbraw/zinc/83/05/42/586830542.db2.gz RTPDFEVPTXMAMK-UHFFFAOYSA-N 1 2 238.334 3.758 20 10 BHCDLO CC(C)(C[NH2+]c1ccc(N)cc1)c1ccccc1 ZINC000841039914 587938358 /nfs/dbraw/zinc/93/83/58/587938358.db2.gz DTNFGXGBMPLCMR-UHFFFAOYSA-N 1 2 240.350 3.659 20 10 BHCDLO Cc1cc(C)c(CNc2ccc([NH3+])cc2)c(C)c1 ZINC000841040185 587938788 /nfs/dbraw/zinc/93/87/88/587938788.db2.gz LNDUWPIHQPSHBW-UHFFFAOYSA-N 1 2 240.350 3.806 20 10 BHCDLO CC[C@H](C[NH2+]c1ccc(N)cc1)c1ccccc1 ZINC000841040358 584116438 /nfs/dbraw/zinc/11/64/38/584116438.db2.gz PWCUYPQDVYMAEX-CYBMUJFWSA-N 1 2 240.350 3.875 20 10 BHCDLO CC[C@@H](C[NH2+]c1ccc(N)cc1)c1ccccc1 ZINC000841040383 584116376 /nfs/dbraw/zinc/11/63/76/584116376.db2.gz PWCUYPQDVYMAEX-ZDUSSCGKSA-N 1 2 240.350 3.875 20 10 BHCDLO Cc1cc(C)c(CNc2ccc([NH3+])cc2)cc1C ZINC000841040683 587938765 /nfs/dbraw/zinc/93/87/65/587938765.db2.gz XHAMBSYIUKIUGT-UHFFFAOYSA-N 1 2 240.350 3.806 20 10 BHCDLO CCCc1cccc(CNc2ccc([NH3+])cc2)c1 ZINC000841040720 587938446 /nfs/dbraw/zinc/93/84/46/587938446.db2.gz YAXLZHBPQZLYBP-UHFFFAOYSA-N 1 2 240.350 3.833 20 10 BHCDLO [NH3+]c1ccc(NCc2ccc(C3CC3)cc2)cc1 ZINC000841041277 587938322 /nfs/dbraw/zinc/93/83/22/587938322.db2.gz ZRNWXTYHCAWHAG-UHFFFAOYSA-N 1 2 238.334 3.758 20 10 BHCDLO C/C=C\C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000858537782 582462730 /nfs/dbraw/zinc/46/27/30/582462730.db2.gz QBKZSFRBRBIRMK-FHMRSRPSSA-N 1 2 239.746 3.662 20 10 BHCDLO C/C=C\C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000858537783 582462502 /nfs/dbraw/zinc/46/25/02/582462502.db2.gz QBKZSFRBRBIRMK-KTLBGCOUSA-N 1 2 239.746 3.662 20 10 BHCDLO C/C=C/C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000858537784 582462579 /nfs/dbraw/zinc/46/25/79/582462579.db2.gz QBKZSFRBRBIRMK-OGOUPESXSA-N 1 2 239.746 3.662 20 10 BHCDLO C/C=C/C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000858537785 582462719 /nfs/dbraw/zinc/46/27/19/582462719.db2.gz QBKZSFRBRBIRMK-PYEVWLCESA-N 1 2 239.746 3.662 20 10 BHCDLO Cc1cc(CN(C)c2ccc([NH3+])cc2)c(C)s1 ZINC000863557572 589298880 /nfs/dbraw/zinc/29/88/80/589298880.db2.gz QAAKSUDXBWZTHE-UHFFFAOYSA-N 1 2 246.379 3.584 20 10 BHCDLO Cc1cc(N[C@H](C)c2ccccc2O)c[nH+]c1C ZINC000883342293 591621277 /nfs/dbraw/zinc/62/12/77/591621277.db2.gz RLOBRNMKMFPAQH-GFCCVEGCSA-N 1 2 242.322 3.577 20 10 BHCDLO Cc1cc(N[C@@H](C)c2ccccc2O)c[nH+]c1C ZINC000883342294 591621370 /nfs/dbraw/zinc/62/13/70/591621370.db2.gz RLOBRNMKMFPAQH-LBPRGKRZSA-N 1 2 242.322 3.577 20 10 BHCDLO CC(C)c1c[nH+]cc(NCc2ccccc2O)c1 ZINC000897707031 584041545 /nfs/dbraw/zinc/04/15/45/584041545.db2.gz FWOOHSCZFRCYJZ-UHFFFAOYSA-N 1 2 242.322 3.523 20 10 BHCDLO CC[NH+](CC)c1ccc(OC2CCCC2)cc1 ZINC000915261255 641813353 /nfs/dbraw/zinc/81/33/53/641813353.db2.gz IRVVTCJPRFDCPO-UHFFFAOYSA-N 1 2 233.355 3.854 20 10 BHCDLO