smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)c1C ZINC000072374959 558963274 /nfs/dbraw/zinc/96/32/74/558963274.db2.gz JNLSJIFELVHCRY-FQEVSTJZSA-N 2 1 404.562 4.741 40 0 HJABMP CCn1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)c1C ZINC000072374959 558963278 /nfs/dbraw/zinc/96/32/78/558963278.db2.gz JNLSJIFELVHCRY-FQEVSTJZSA-N 2 1 404.562 4.741 40 0 HJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013475958 560811007 /nfs/dbraw/zinc/81/10/07/560811007.db2.gz FYBSRGAMRKRJQM-UZINWLIJSA-N 2 1 410.602 4.773 40 0 HJABMP C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)c1 ZINC000057776098 568497550 /nfs/dbraw/zinc/49/75/50/568497550.db2.gz RYRHRYSOOYIWDJ-SFHVURJKSA-N 2 1 411.977 4.785 40 0 HJABMP C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)c1 ZINC000057776098 568497551 /nfs/dbraw/zinc/49/75/51/568497551.db2.gz RYRHRYSOOYIWDJ-SFHVURJKSA-N 2 1 411.977 4.785 40 0 HJABMP CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@H]2c3ccccc3CC[N@H+]2C1 ZINC000001721518 557283042 /nfs/dbraw/zinc/28/30/42/557283042.db2.gz GAUYNTGXYGJOSH-JWQCQUIFSA-N 2 1 418.581 4.990 40 0 in-vitro HJABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)C1 ZINC000038831707 558816878 /nfs/dbraw/zinc/81/68/78/558816878.db2.gz WJUVVGJLJVJPBO-JOCHJYFZSA-N 2 1 419.613 4.834 40 0 HJABMP COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CC[NH+](C)CC4)C=C3C)nc2c1 ZINC000072320960 560076947 /nfs/dbraw/zinc/07/69/47/560076947.db2.gz AMLHSQOAJHFNAH-JTAQYXEDSA-N 2 1 424.633 4.652 40 0 biogenic,in-vitro HJABMP C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1 ZINC000006137728 291275637 /nfs/dbraw/zinc/27/56/37/291275637.db2.gz FHLJTCJRKFJLFF-JTHBVZDNSA-N 2 1 419.613 4.576 40 0 biogenic,in-vitro HJABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)C1 ZINC000224834435 568599311 /nfs/dbraw/zinc/59/93/11/568599311.db2.gz ICFUKGAUSYHJID-JOCHJYFZSA-N 2 1 419.613 4.834 40 0 HJABMP COc1ccc(C[N@@H+](C)CC[C@@]2(c3ccccc3)C[C@H](C)[NH+](C)C[C@H]2C)cc1OC ZINC000005358755 557646629 /nfs/dbraw/zinc/64/66/29/557646629.db2.gz OJEZOEWJJBKOBO-YZIHRLCOSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH+](C)CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000005358755 557646630 /nfs/dbraw/zinc/64/66/30/557646630.db2.gz OJEZOEWJJBKOBO-YZIHRLCOSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH+](C)CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000005358755 557646633 /nfs/dbraw/zinc/64/66/33/557646633.db2.gz OJEZOEWJJBKOBO-YZIHRLCOSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004751975 568420024 /nfs/dbraw/zinc/42/00/24/568420024.db2.gz FYBSRGAMRKRJQM-SWYRRKHMSA-N 2 1 410.602 4.773 40 0 HJABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)C1 ZINC000038831708 558816839 /nfs/dbraw/zinc/81/68/39/558816839.db2.gz WJUVVGJLJVJPBO-QFIPXVFZSA-N 2 1 419.613 4.834 40 0 HJABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2)C1 ZINC000038831724 558816918 /nfs/dbraw/zinc/81/69/18/558816918.db2.gz JAAZYESBPNUWPW-QFIPXVFZSA-N 2 1 419.613 4.834 40 0 HJABMP CC1(C)CC([N@H+](Cc2ccncc2)Cc2ccc(N3CCCC3=O)cc2)CC(C)(C)[NH2+]1 ZINC000019460997 558893549 /nfs/dbraw/zinc/89/35/49/558893549.db2.gz FXPGHRWTHZZVND-UHFFFAOYSA-N 2 1 420.601 4.520 40 0 HJABMP CC1(C)CC([N@@H+](Cc2ccncc2)Cc2ccc(N3CCCC3=O)cc2)CC(C)(C)[NH2+]1 ZINC000019460997 558893551 /nfs/dbraw/zinc/89/35/51/558893551.db2.gz FXPGHRWTHZZVND-UHFFFAOYSA-N 2 1 420.601 4.520 40 0 HJABMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000012113171 569344645 /nfs/dbraw/zinc/34/46/45/569344645.db2.gz KXBHLDGIMNJBAC-DNQXCXABSA-N 2 1 400.522 4.563 40 0 HJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004751973 568420005 /nfs/dbraw/zinc/42/00/05/568420005.db2.gz FYBSRGAMRKRJQM-YPCDYVTLSA-N 2 1 410.602 4.773 40 0 HJABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000219243203 568488473 /nfs/dbraw/zinc/48/84/73/568488473.db2.gz MRKYGNHVHOPDDQ-HXUWFJFHSA-N 2 1 421.585 4.644 40 0 HJABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)C1 ZINC000224834487 568599323 /nfs/dbraw/zinc/59/93/23/568599323.db2.gz ICFUKGAUSYHJID-QFIPXVFZSA-N 2 1 419.613 4.834 40 0 HJABMP Cc1[nH+]ccn1-c1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740506 558801847 /nfs/dbraw/zinc/80/18/47/558801847.db2.gz NFJYZFUHHFRLGA-UHFFFAOYSA-N 2 1 417.601 4.887 40 0 HJABMP C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)c1 ZINC000057776092 568497594 /nfs/dbraw/zinc/49/75/94/568497594.db2.gz RYRHRYSOOYIWDJ-GOSISDBHSA-N 2 1 411.977 4.785 40 0 HJABMP C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)c1 ZINC000057776092 568497596 /nfs/dbraw/zinc/49/75/96/568497596.db2.gz RYRHRYSOOYIWDJ-GOSISDBHSA-N 2 1 411.977 4.785 40 0 HJABMP CC1=C[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320870 560077889 /nfs/dbraw/zinc/07/78/89/560077889.db2.gz KSAYIMPPBMVPRB-IPJJNNNSSA-N 2 1 412.597 4.783 40 0 biogenic,in-vitro HJABMP CC1(C)C[C@@]2(CCC[NH+](CCC[N@@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000005008161 560620839 /nfs/dbraw/zinc/62/08/39/560620839.db2.gz SWVWVYHFWXGIGF-PLQXJYEYSA-N 2 1 406.655 4.719 40 0 HJABMP CC1(C)C[C@@]2(CCC[N@@H+](CCC[NH+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000005008161 560620840 /nfs/dbraw/zinc/62/08/40/560620840.db2.gz SWVWVYHFWXGIGF-PLQXJYEYSA-N 2 1 406.655 4.719 40 0 HJABMP CC1(C)C[C@@]2(CCC[N@H+](CCC[NH+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000005008161 560620842 /nfs/dbraw/zinc/62/08/42/560620842.db2.gz SWVWVYHFWXGIGF-PLQXJYEYSA-N 2 1 406.655 4.719 40 0 HJABMP CC[NH+](CC)C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)C1 ZINC000012144240 558335890 /nfs/dbraw/zinc/33/58/90/558335890.db2.gz WPOZAEWIYCXDIT-IBGZPJMESA-N 2 1 406.574 4.792 40 0 HJABMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016189384 558777122 /nfs/dbraw/zinc/77/71/22/558777122.db2.gz HTEJDVAPTLEUOD-UHFFFAOYSA-N 2 1 417.764 4.934 40 0 HJABMP Cc1[nH+]ccn1-c1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740542 558801802 /nfs/dbraw/zinc/80/18/02/558801802.db2.gz BELWEFBLHOTSDD-UHFFFAOYSA-N 2 1 417.601 4.887 40 0 HJABMP Cc1[nH+]ccn1CC1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3sccn23)CC1 ZINC000019715784 558976993 /nfs/dbraw/zinc/97/69/93/558976993.db2.gz PPDDWPJJUQLHGI-UHFFFAOYSA-N 2 1 409.534 4.619 40 0 HJABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2ccc(Cl)cc2Cl)c1 ZINC000017039547 558812365 /nfs/dbraw/zinc/81/23/65/558812365.db2.gz DIFWGKOQCVSWQH-UHFFFAOYSA-N 2 1 418.372 4.744 40 0 HJABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2)C1 ZINC000038831723 558816962 /nfs/dbraw/zinc/81/69/62/558816962.db2.gz JAAZYESBPNUWPW-JOCHJYFZSA-N 2 1 419.613 4.834 40 0 HJABMP COc1ccc(C[NH2+]CC[C@@]2(Cc3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013475962 560811033 /nfs/dbraw/zinc/81/10/33/560811033.db2.gz FYBSRGAMRKRJQM-WOVHNISZSA-N 2 1 410.602 4.773 40 0 HJABMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000072341586 558940016 /nfs/dbraw/zinc/94/00/16/558940016.db2.gz KXBHLDGIMNJBAC-ZEQRLZLVSA-N 2 1 400.522 4.563 40 0 HJABMP COc1ccc(C[N@@H+](C)CC[C@@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@@H]2C)cc1OC ZINC000012296217 560778842 /nfs/dbraw/zinc/77/88/42/560778842.db2.gz OJEZOEWJJBKOBO-LZCXECNNSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH+](C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012296217 560778843 /nfs/dbraw/zinc/77/88/43/560778843.db2.gz OJEZOEWJJBKOBO-LZCXECNNSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH+](C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012296217 560778844 /nfs/dbraw/zinc/77/88/44/560778844.db2.gz OJEZOEWJJBKOBO-LZCXECNNSA-N 2 1 410.602 4.824 40 0 HJABMP CCC1=C(C[C@H]2[NH2+]CCc3ccccc32)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C1 ZINC000004972680 557618656 /nfs/dbraw/zinc/61/86/56/557618656.db2.gz HDIJLRXRAJUXQB-JWQCQUIFSA-N 2 1 418.581 4.990 40 0 in-vivo HJABMP CC[NH+](CC)C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)C1 ZINC000012144241 558335905 /nfs/dbraw/zinc/33/59/05/558335905.db2.gz WPOZAEWIYCXDIT-LJQANCHMSA-N 2 1 406.574 4.792 40 0 HJABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715786 558976944 /nfs/dbraw/zinc/97/69/44/558976944.db2.gz BGOCFRHOGMYJJV-KRWDZBQOSA-N 2 1 409.534 4.619 40 0 HJABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715786 558976946 /nfs/dbraw/zinc/97/69/46/558976946.db2.gz BGOCFRHOGMYJJV-KRWDZBQOSA-N 2 1 409.534 4.619 40 0 HJABMP C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000141570441 569354963 /nfs/dbraw/zinc/35/49/63/569354963.db2.gz LXIZWAHJCZGRDN-NRFANRHFSA-N 2 1 405.586 4.879 40 0 HJABMP C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](CCc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000257266498 559284941 /nfs/dbraw/zinc/28/49/41/559284941.db2.gz MDGRKROCEVWCHA-JCYYIGJDSA-N 2 1 414.593 4.755 40 0 HJABMP C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](CCc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000257266498 559284943 /nfs/dbraw/zinc/28/49/43/559284943.db2.gz MDGRKROCEVWCHA-JCYYIGJDSA-N 2 1 414.593 4.755 40 0 HJABMP C[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000257266498 559284945 /nfs/dbraw/zinc/28/49/45/559284945.db2.gz MDGRKROCEVWCHA-JCYYIGJDSA-N 2 1 414.593 4.755 40 0 HJABMP C[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000257266498 559284947 /nfs/dbraw/zinc/28/49/47/559284947.db2.gz MDGRKROCEVWCHA-JCYYIGJDSA-N 2 1 414.593 4.755 40 0 HJABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000219243278 568488536 /nfs/dbraw/zinc/48/85/36/568488536.db2.gz MRKYGNHVHOPDDQ-FQEVSTJZSA-N 2 1 421.585 4.644 40 0 HJABMP C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000141570249 569354981 /nfs/dbraw/zinc/35/49/81/569354981.db2.gz LXIZWAHJCZGRDN-OAQYLSRUSA-N 2 1 405.586 4.879 40 0 HJABMP COc1ccc(Nc2cc(C)[nH+]c([C@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319431 568810216 /nfs/dbraw/zinc/81/02/16/568810216.db2.gz VSNFKOHYEHFZON-IBGZPJMESA-N 2 1 417.557 4.593 40 0 HJABMP COc1ccc(Nc2cc(C)[nH+]c([C@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319431 568810217 /nfs/dbraw/zinc/81/02/17/568810217.db2.gz VSNFKOHYEHFZON-IBGZPJMESA-N 2 1 417.557 4.593 40 0 HJABMP CC1(C)C[C@@]2(CCC[NH+](CCC[N@@H+]3CCC[C@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000005008160 560620771 /nfs/dbraw/zinc/62/07/71/560620771.db2.gz SWVWVYHFWXGIGF-JWQCQUIFSA-N 2 1 406.655 4.719 40 0 HJABMP Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CC[NH+](C)CC4)C=C3C)nc21 ZINC000072320975 560077210 /nfs/dbraw/zinc/07/72/10/560077210.db2.gz YAXATQPBJPKCKR-FUDKSRODSA-N 2 1 408.634 4.952 40 0 biogenic,in-vitro HJABMP C[NH+](C)CC1CCC2(CC1)C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O2 ZINC000057773378 568497721 /nfs/dbraw/zinc/49/77/21/568497721.db2.gz LIXQAYPHZGWZDF-UHFFFAOYSA-N 2 1 400.513 4.850 40 0 HJABMP C[NH+](C)CC1CCC2(CC1)C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O2 ZINC000057773378 568497723 /nfs/dbraw/zinc/49/77/23/568497723.db2.gz LIXQAYPHZGWZDF-UHFFFAOYSA-N 2 1 400.513 4.850 40 0 HJABMP COc1ccc(C[N@@H+](C)CC[C@@]2(c3ccccc3)C[C@@H](C)[NH+](C)C[C@H]2C)cc1OC ZINC000005355795 557646701 /nfs/dbraw/zinc/64/67/01/557646701.db2.gz OJEZOEWJJBKOBO-IPVFLDMMSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH+](C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000005355795 557646703 /nfs/dbraw/zinc/64/67/03/557646703.db2.gz OJEZOEWJJBKOBO-IPVFLDMMSA-N 2 1 410.602 4.824 40 0 HJABMP COc1ccc(C[NH+](C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000005355795 557646706 /nfs/dbraw/zinc/64/67/06/557646706.db2.gz OJEZOEWJJBKOBO-IPVFLDMMSA-N 2 1 410.602 4.824 40 0 HJABMP CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)c1C ZINC000072374960 558963404 /nfs/dbraw/zinc/96/34/04/558963404.db2.gz JNLSJIFELVHCRY-HXUWFJFHSA-N 2 1 404.562 4.741 40 0 HJABMP CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)c1C ZINC000072374960 558963406 /nfs/dbraw/zinc/96/34/06/558963406.db2.gz JNLSJIFELVHCRY-HXUWFJFHSA-N 2 1 404.562 4.741 40 0 HJABMP COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319432 568810338 /nfs/dbraw/zinc/81/03/38/568810338.db2.gz VSNFKOHYEHFZON-LJQANCHMSA-N 2 1 417.557 4.593 40 0 HJABMP COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319432 568810339 /nfs/dbraw/zinc/81/03/39/568810339.db2.gz VSNFKOHYEHFZON-LJQANCHMSA-N 2 1 417.557 4.593 40 0 HJABMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000012113170 558326806 /nfs/dbraw/zinc/32/68/06/558326806.db2.gz KXBHLDGIMNJBAC-BJKOFHAPSA-N 2 1 400.522 4.563 40 0 HJABMP Cc1[nH+]ccn1CC1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)CC1 ZINC000019715781 558976981 /nfs/dbraw/zinc/97/69/81/558976981.db2.gz RTSREVNBLUZCMA-UHFFFAOYSA-N 2 1 403.505 4.558 40 0 HJABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715785 558977068 /nfs/dbraw/zinc/97/70/68/558977068.db2.gz BGOCFRHOGMYJJV-QGZVFWFLSA-N 2 1 409.534 4.619 40 0 HJABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715785 558977072 /nfs/dbraw/zinc/97/70/72/558977072.db2.gz BGOCFRHOGMYJJV-QGZVFWFLSA-N 2 1 409.534 4.619 40 0 HJABMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000253588631 569318030 /nfs/dbraw/zinc/31/80/30/569318030.db2.gz KXBHLDGIMNJBAC-RPWUZVMVSA-N 2 1 400.522 4.563 40 0 HJABMP