smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H](CNC(=O)CCc2cnc[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000793573849 1078225647 /nfs/dbraw/zinc/22/56/47/1078225647.db2.gz QPUHNSLYVSHGSO-SFHVURJKSA-N 0 1 401.511 2.791 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)NC3C[C@H](C)C[C@@H](C)C3)cc2F)CC1 ZINC000805006711 1078850686 /nfs/dbraw/zinc/85/06/86/1078850686.db2.gz CHBBYVRNCHFFQN-IAGOWNOFSA-N 0 1 418.557 2.525 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](C)C[C@H]3C)cc2F)CC1 ZINC000805009995 1078853746 /nfs/dbraw/zinc/85/37/46/1078853746.db2.gz RAPXZHOFPGLBKO-SQGPQFPESA-N 0 1 418.557 2.525 20 10 HFCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000787627393 1076882984 /nfs/dbraw/zinc/88/29/84/1076882984.db2.gz QJEADBLSOPVSNP-UHFFFAOYSA-N 0 1 422.573 2.630 20 10 HFCDMN NS(=O)(=O)c1cc(Cl)cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000787731437 1076933485 /nfs/dbraw/zinc/93/34/85/1076933485.db2.gz RXGQOHDXMABUDG-QGZVFWFLSA-N 0 1 410.923 2.874 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)N(C)Cc3ccc(C)cn3)CC2)cc1 ZINC000788691415 1077252096 /nfs/dbraw/zinc/25/20/96/1077252096.db2.gz OZJJFGJJDGBVJI-UHFFFAOYSA-N 0 1 411.550 2.752 20 10 HFCDMN COc1ccc(N2CCN(C(=O)C=CC(=O)Nc3cc4cn[nH]c4cc3C)CC2)cc1 ZINC000791056076 1077284826 /nfs/dbraw/zinc/28/48/26/1077284826.db2.gz SNVDHXMTKCHDBD-FPLPWBNLSA-N 0 1 419.485 2.723 20 10 HFCDMN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000788930455 1077340393 /nfs/dbraw/zinc/34/03/93/1077340393.db2.gz AUNSCGOXSZPTSJ-QHCPKHFHSA-N 0 1 420.557 2.684 20 10 HFCDMN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000788954283 1077361443 /nfs/dbraw/zinc/36/14/43/1077361443.db2.gz JKSPSRTVYXQVPW-FGZHOGPDSA-N 0 1 408.546 2.711 20 10 HFCDMN CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792163447 1077731617 /nfs/dbraw/zinc/73/16/17/1077731617.db2.gz ZSFDZYFHRGBFJR-UHFFFAOYSA-N 0 1 419.950 2.812 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)C[C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792863220 1078010852 /nfs/dbraw/zinc/01/08/52/1078010852.db2.gz KOOGVLUJQLVPAT-SIKLNZKXSA-N 0 1 403.567 2.919 20 10 HFCDMN CCOC(=O)CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792839430 1078012343 /nfs/dbraw/zinc/01/23/43/1078012343.db2.gz NXIUMAPAIKYLEG-UHFFFAOYSA-N 0 1 415.456 2.663 20 10 HFCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000790411243 1078020814 /nfs/dbraw/zinc/02/08/14/1078020814.db2.gz HPARRBBTTPGSCV-UHFFFAOYSA-N 0 1 402.428 2.927 20 10 HFCDMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000792948903 1078032907 /nfs/dbraw/zinc/03/29/07/1078032907.db2.gz MMRVVRAGPHDCNG-INIZCTEOSA-N 0 1 403.548 2.513 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)N(CCO)Cc3ccc(C)o3)cc2F)CC1 ZINC000792992320 1078042829 /nfs/dbraw/zinc/04/28/29/1078042829.db2.gz HDGUBISCZHDDIR-UHFFFAOYSA-N 0 1 418.513 2.573 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3[C@H]3CCCO3)CC2)cc1 ZINC000806334389 1079606440 /nfs/dbraw/zinc/60/64/40/1079606440.db2.gz NMMRCYPHIZWCOH-FCHUYYIVSA-N 0 1 416.566 2.560 20 10 HFCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000807097027 1080274205 /nfs/dbraw/zinc/27/42/05/1080274205.db2.gz NBKDWXAFULIECG-HXUWFJFHSA-N 0 1 416.953 2.750 20 10 HFCDMN CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000807099266 1080279043 /nfs/dbraw/zinc/27/90/43/1080279043.db2.gz POGAXPCHUJRCBZ-HSZRJFAPSA-N 0 1 422.573 2.800 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000807513354 1080721409 /nfs/dbraw/zinc/72/14/09/1080721409.db2.gz MCLANJXOPDUATA-UHFFFAOYSA-N 0 1 420.256 2.594 20 10 HFCDMN C[C@H](NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000807545699 1080762234 /nfs/dbraw/zinc/76/22/34/1080762234.db2.gz JNDCUDLCGVINFX-FGSXEWAUSA-N 0 1 408.546 2.567 20 10 HFCDMN CC1CCN(c2ccc(CNC(=O)C(=O)NCCN(C)Cc3ccccc3)cc2)CC1 ZINC000793839211 1078311307 /nfs/dbraw/zinc/31/13/07/1078311307.db2.gz PKKLLGNZILISMZ-UHFFFAOYSA-N 0 1 422.573 2.787 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)N(CC(C)C)CC(C)C)cc2F)CC1 ZINC000805007186 1078852396 /nfs/dbraw/zinc/85/23/96/1078852396.db2.gz GMJLCXKAKPJQQW-UHFFFAOYSA-N 0 1 420.573 2.724 20 10 HFCDMN COc1ccc(N2CCN(C(=O)CN[C@@H](CCO)c3ccc(Cl)cc3)CC2)cc1 ZINC000805821989 1079293441 /nfs/dbraw/zinc/29/34/41/1079293441.db2.gz NPUKSYDJAHVZTK-NRFANRHFSA-N 0 1 417.937 2.711 20 10 HFCDMN COC[C@H](N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCCO1 ZINC000788359028 1077124606 /nfs/dbraw/zinc/12/46/06/1077124606.db2.gz LWYFGWIHHDJLEV-UAOJZALGSA-N 0 1 422.481 2.573 20 10 HFCDMN O=C([C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])Cc1cccc(F)c1)N1CCOCC1 ZINC000788528954 1077203167 /nfs/dbraw/zinc/20/31/67/1077203167.db2.gz KRDYXNAKFBGVHT-KRWDZBQOSA-N 0 1 406.885 2.992 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)c3cc4nccnc4cc3F)CC2)cc1 ZINC000791474366 1077446099 /nfs/dbraw/zinc/44/60/99/1077446099.db2.gz COXOEWVKOZXQBT-UHFFFAOYSA-N 0 1 423.492 2.720 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)c3cc4nccnc4cc3F)cc2F)CC1 ZINC000791574347 1077467040 /nfs/dbraw/zinc/46/70/40/1077467040.db2.gz RTXBFDSNDXJSDH-UHFFFAOYSA-N 0 1 411.456 2.980 20 10 HFCDMN CO[C@]1(C)CCCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000791554759 1077476768 /nfs/dbraw/zinc/47/67/68/1077476768.db2.gz HBECAZWSSZQHHF-PNLZDCPESA-N 0 1 407.530 2.556 20 10 HFCDMN CCOc1nc(C)ccc1C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000790220434 1077973068 /nfs/dbraw/zinc/97/30/68/1077973068.db2.gz SKAXRHIGCBPBAS-UHFFFAOYSA-N 0 1 412.534 2.739 20 10 HFCDMN COc1ccc(CNC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c(O)c1 ZINC000792830980 1078007586 /nfs/dbraw/zinc/00/75/86/1078007586.db2.gz LVUUFJVXUOXKFT-UHFFFAOYSA-N 0 1 412.534 2.721 20 10 HFCDMN COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c(F)c1 ZINC000790384473 1078010887 /nfs/dbraw/zinc/01/08/87/1078010887.db2.gz OODHPTGLWFEBFH-UHFFFAOYSA-N 0 1 408.860 2.660 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)N3Cc4ccccc4CO3)CC2)cc1 ZINC000806334919 1079605702 /nfs/dbraw/zinc/60/57/02/1079605702.db2.gz XKOPZMQDPZTSLE-UHFFFAOYSA-N 0 1 410.518 2.864 20 10 HFCDMN CCOC(=O)Cn1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)c1=O ZINC000806367111 1079652990 /nfs/dbraw/zinc/65/29/90/1079652990.db2.gz JPHDRERFUNNDLW-UHFFFAOYSA-N 0 1 414.245 2.746 20 10 HFCDMN NS(=O)(=O)c1ccc(CNC(=S)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000806597619 1079840879 /nfs/dbraw/zinc/84/08/79/1079840879.db2.gz BPUXZTOQXFBCKF-UHFFFAOYSA-N 0 1 420.343 2.511 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000807511733 1080719065 /nfs/dbraw/zinc/71/90/65/1080719065.db2.gz UFSYEBNGCFDVKJ-UHFFFAOYSA-N 0 1 411.241 2.732 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000807513156 1080720355 /nfs/dbraw/zinc/72/03/55/1080720355.db2.gz IBWPLKQRASMIFU-UHFFFAOYSA-N 0 1 420.256 2.594 20 10 HFCDMN CC(=O)NCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807512837 1080720844 /nfs/dbraw/zinc/72/08/44/1080720844.db2.gz LFPKGWARNQIGRY-UHFFFAOYSA-N 0 1 410.257 2.590 20 10 HFCDMN Cc1ccnc(-n2nccc2NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807513884 1080723098 /nfs/dbraw/zinc/72/30/98/1080723098.db2.gz YAHBYZFHEGGSJT-UHFFFAOYSA-N 0 1 420.256 2.843 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@H](C)C3)cc2F)CC1 ZINC000793945449 1078354103 /nfs/dbraw/zinc/35/41/03/1078354103.db2.gz YEKLNIDSUDQSFX-ZWKOTPCHSA-N 0 1 418.557 2.526 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)NCC3CCC(C)CC3)cc2F)CC1 ZINC000793946149 1078354826 /nfs/dbraw/zinc/35/48/26/1078354826.db2.gz JNDFIQHVNHBKTR-UHFFFAOYSA-N 0 1 418.557 2.526 20 10 HFCDMN CCCS(=O)(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000804914090 1078736655 /nfs/dbraw/zinc/73/66/55/1078736655.db2.gz XROGFUGHBGQJBB-UHFFFAOYSA-N 0 1 424.350 2.702 20 10 HFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)C1 ZINC001130055545 1078841678 /nfs/dbraw/zinc/84/16/78/1078841678.db2.gz MLUDQPATXDSXIJ-IYARVYRRSA-N 0 1 410.562 2.816 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2F)CC1 ZINC000805007078 1078852344 /nfs/dbraw/zinc/85/23/44/1078852344.db2.gz MPELKLNXEOJQLT-MJGOQNOKSA-N 0 1 418.557 2.621 20 10 HFCDMN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000806044021 1079411917 /nfs/dbraw/zinc/41/19/17/1079411917.db2.gz VVWPYSKSBCMNFG-UHFFFAOYSA-N 0 1 401.482 2.648 20 10 HFCDMN CCN(CC)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000787615636 1076879868 /nfs/dbraw/zinc/87/98/68/1076879868.db2.gz JJQAOGCWSPKBFA-HXUWFJFHSA-N 0 1 416.591 2.972 20 10 HFCDMN CCOC1CC(CCNC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1 ZINC000788782525 1077300048 /nfs/dbraw/zinc/30/00/48/1077300048.db2.gz OBACFKLLCOQBET-UHFFFAOYSA-N 0 1 406.546 2.972 20 10 HFCDMN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1F ZINC000789436543 1077572244 /nfs/dbraw/zinc/57/22/44/1077572244.db2.gz SJANPMWXBDZZFH-SFHVURJKSA-N 0 1 414.481 2.532 20 10 HFCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000789507398 1077601749 /nfs/dbraw/zinc/60/17/49/1077601749.db2.gz NCSPUYKAWZVUGQ-HXUWFJFHSA-N 0 1 410.518 2.701 20 10 HFCDMN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000789651252 1077719244 /nfs/dbraw/zinc/71/92/44/1077719244.db2.gz FJLLGTHVQLUBJD-OAQYLSRUSA-N 0 1 409.530 2.912 20 10 HFCDMN CC(C)[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000792163412 1077731593 /nfs/dbraw/zinc/73/15/93/1077731593.db2.gz ZDCPVQFIBWWXOD-HNNXBMFYSA-N 0 1 424.900 2.863 20 10 HFCDMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(O)cc3OC(C)C)cc2CC1 ZINC000790071770 1077921393 /nfs/dbraw/zinc/92/13/93/1077921393.db2.gz QIHNVLNGZYWYES-UHFFFAOYSA-N 0 1 418.515 2.927 20 10 HFCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1O ZINC000790408596 1078020077 /nfs/dbraw/zinc/02/00/77/1078020077.db2.gz ZQCINNNOROTGRZ-UHFFFAOYSA-N 0 1 412.533 2.643 20 10 HFCDMN O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000806282914 1079544975 /nfs/dbraw/zinc/54/49/75/1079544975.db2.gz YIWDEJNMGFSXDE-KRWDZBQOSA-N 0 1 418.588 2.522 20 10 HFCDMN O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000806282914 1079544982 /nfs/dbraw/zinc/54/49/82/1079544982.db2.gz YIWDEJNMGFSXDE-KRWDZBQOSA-N 0 1 418.588 2.522 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc4n(n3)CCCC4)cc2F)CC1 ZINC000806718740 1079943147 /nfs/dbraw/zinc/94/31/47/1079943147.db2.gz MNOGUCJSFPDNHC-UHFFFAOYSA-N 0 1 400.502 2.822 20 10 HFCDMN C[S@](=O)Cc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512620 1080721530 /nfs/dbraw/zinc/72/15/30/1080721530.db2.gz AJCZWLBCEMBZHW-SANMLTNESA-N 0 1 415.298 2.832 20 10 HFCDMN COC(=O)c1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccc1F ZINC000807513287 1080721573 /nfs/dbraw/zinc/72/15/73/1080721573.db2.gz KFCQRJHXZIIUCU-UHFFFAOYSA-N 0 1 415.204 2.880 20 10 HFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000807546667 1080764039 /nfs/dbraw/zinc/76/40/39/1080764039.db2.gz QJFPTNNQTJRKCV-AUSIDOKSSA-N 0 1 422.573 2.738 20 10 HFCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000793930780 1078341436 /nfs/dbraw/zinc/34/14/36/1078341436.db2.gz LHKUXSFQXZAJLO-NQIIRXRSSA-N 0 1 408.546 2.629 20 10 HFCDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932037 1078341759 /nfs/dbraw/zinc/34/17/59/1078341759.db2.gz RJVBDPLUEAVUAU-XMSQKQJNSA-N 0 1 420.557 2.637 20 10 HFCDMN CC[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1 ZINC000805007432 1078852362 /nfs/dbraw/zinc/85/23/62/1078852362.db2.gz LPCPRTGHTMIWID-IEBWSBKVSA-N 0 1 418.557 2.669 20 10 HFCDMN COC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000805135449 1078932706 /nfs/dbraw/zinc/93/27/06/1078932706.db2.gz LXEXPRPULBCKRY-UHFFFAOYSA-N 0 1 420.270 2.973 20 10 HFCDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C)c1ccc(OC)c(OC)c1C)cc2=O ZINC000805832972 1079273311 /nfs/dbraw/zinc/27/33/11/1079273311.db2.gz PIHRUCSEZNAYOS-CYBMUJFWSA-N 0 1 414.462 2.788 20 10 HFCDMN COc1ccc2nc(CNCc3ccc(N4CCS(=O)(=O)CC4)cc3)sc2c1 ZINC000788962163 1077364155 /nfs/dbraw/zinc/36/41/55/1077364155.db2.gz GWHAITZVBYYSKV-UHFFFAOYSA-N 0 1 417.556 2.830 20 10 HFCDMN CCN(CC)[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000788934346 1077368111 /nfs/dbraw/zinc/36/81/11/1077368111.db2.gz WIBBHXHCBABENE-HXUWFJFHSA-N 0 1 412.534 2.695 20 10 HFCDMN C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000789657547 1077723207 /nfs/dbraw/zinc/72/32/07/1077723207.db2.gz AJCSTXXASIJJMV-GHTZIAJQSA-N 0 1 408.546 2.711 20 10 HFCDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1Br ZINC000789882021 1077834766 /nfs/dbraw/zinc/83/47/66/1077834766.db2.gz VOERCZPJTFBVAW-UHFFFAOYSA-N 0 1 407.312 2.843 20 10 HFCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790406592 1078019681 /nfs/dbraw/zinc/01/96/81/1078019681.db2.gz WXNNFGMDNQXVFX-UHFFFAOYSA-N 0 1 409.376 2.829 20 10 HFCDMN Cc1[nH]ncc1C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000806495445 1079746084 /nfs/dbraw/zinc/74/60/84/1079746084.db2.gz GYQQATUGUILPPQ-LJQANCHMSA-N 0 1 424.549 2.509 20 10 HFCDMN O=C(NCCN1C(=O)c2ccccc2C1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806509788 1079760230 /nfs/dbraw/zinc/76/02/30/1079760230.db2.gz TWXNXXQODHFGTC-UHFFFAOYSA-N 0 1 408.241 2.794 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)cc2F)CC1 ZINC000806749781 1079965963 /nfs/dbraw/zinc/96/59/63/1079965963.db2.gz FFEWALMYOVQDRP-RTWAWAEBSA-N 0 1 404.530 2.821 20 10 HFCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000807098284 1080277692 /nfs/dbraw/zinc/27/76/92/1080277692.db2.gz VRALXVUHKGMOAU-HSZRJFAPSA-N 0 1 422.573 2.800 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000807513095 1080720284 /nfs/dbraw/zinc/72/02/84/1080720284.db2.gz TUZFNMUSNJBKIO-UHFFFAOYSA-N 0 1 420.256 2.594 20 10 HFCDMN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000807546160 1080762167 /nfs/dbraw/zinc/76/21/67/1080762167.db2.gz QXODONYWZKBWKC-WIYYLYMNSA-N 0 1 409.530 2.768 20 10 HFCDMN CNS(=O)(=O)c1cccc2c1CCN(Cc1cccc(Br)c1O)C2 ZINC000793610848 1078227554 /nfs/dbraw/zinc/22/75/54/1078227554.db2.gz ZCVOOXZGUZNFLL-UHFFFAOYSA-N 0 1 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PJXAHGURNJCQOB-UHFFFAOYSA-N 0 1 412.500 2.902 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4nc(C)n(C)c4c3)CC2)cc1 ZINC000792863234 1078010834 /nfs/dbraw/zinc/01/08/34/1078010834.db2.gz LBSQUTQGJDOJAG-UHFFFAOYSA-N 0 1 421.545 2.832 20 10 HFCDMN COc1ccc(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(O)c1 ZINC000792964841 1078037459 /nfs/dbraw/zinc/03/74/59/1078037459.db2.gz ILMWCJDWUDPZJL-OAHLLOKOSA-N 0 1 416.497 2.852 20 10 HFCDMN Cc1ccc2nc(CNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)[nH]c2c1 ZINC000806494500 1079746837 /nfs/dbraw/zinc/74/68/37/1079746837.db2.gz RIEDNGMDXCUBOZ-UHFFFAOYSA-N 0 1 407.518 2.991 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000807512869 1080720923 /nfs/dbraw/zinc/72/09/23/1080720923.db2.gz MWCHMEUXNNIPOQ-UHFFFAOYSA-N 0 1 420.256 2.594 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000807512626 1080721451 /nfs/dbraw/zinc/72/14/51/1080721451.db2.gz APLFXZHTURNWRX-UHFFFAOYSA-N 0 1 420.256 2.594 20 10 HFCDMN Cc1nn(C)c2ncc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3O)cc12 ZINC000807513852 1080723126 /nfs/dbraw/zinc/72/31/26/1080723126.db2.gz WLHXBGSTUGLFTF-UHFFFAOYSA-N 0 1 408.245 2.544 20 10 HFCDMN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000807546159 1080762318 /nfs/dbraw/zinc/76/23/18/1080762318.db2.gz QXODONYWZKBWKC-RXVVDRJESA-N 0 1 409.530 2.768 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCCC[C@@H]3C[C@H](C)O)CC2)cc1 ZINC000790643874 1078091561 /nfs/dbraw/zinc/09/15/61/1078091561.db2.gz SCNKLQONIRTSKZ-PZJWPPBQSA-N 0 1 418.582 2.542 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C[C@@H](C)O)cc2F)CC1 ZINC000790718412 1078107095 /nfs/dbraw/zinc/10/70/95/1078107095.db2.gz JUJJPQRYDBPPCW-IEBWSBKVSA-N 0 1 406.546 2.803 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(C)(C)C)C3)cc2F)CC1 ZINC000790719529 1078108405 /nfs/dbraw/zinc/10/84/05/1078108405.db2.gz ULEHLMBPSCXQMN-HXUWFJFHSA-N 0 1 406.546 2.924 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C3CCC(OCCOC)CC3)cc2F)CC1 ZINC000793456029 1078192042 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ZINC000787668161 1076904630 /nfs/dbraw/zinc/90/46/30/1076904630.db2.gz DFVRAIHPXFXBLE-GOSISDBHSA-N 0 1 401.551 2.902 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)Nc3cc(C)cnc3OC)CC2)cc1 ZINC000746737126 1077088133 /nfs/dbraw/zinc/08/81/33/1077088133.db2.gz URQJDOFMLGEKHW-UHFFFAOYSA-N 0 1 413.522 2.741 20 10 HFCDMN COC[C@H](N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCCO1 ZINC000788359026 1077124641 /nfs/dbraw/zinc/12/46/41/1077124641.db2.gz LWYFGWIHHDJLEV-PNHOKKKMSA-N 0 1 422.481 2.573 20 10 HFCDMN CO[C@@]1(C)CCCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000791554754 1077476743 /nfs/dbraw/zinc/47/67/43/1077476743.db2.gz HBECAZWSSZQHHF-JKSBSHDWSA-N 0 1 407.530 2.556 20 10 HFCDMN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000789369476 1077541584 /nfs/dbraw/zinc/54/15/84/1077541584.db2.gz CRPNDMHZHJVSGP-HXUWFJFHSA-N 0 1 410.518 2.735 20 10 HFCDMN CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(N4CCCC4)cc3)cccc21 ZINC000789370424 1077542494 /nfs/dbraw/zinc/54/24/94/1077542494.db2.gz DGSKFUUSLDQGKR-OAQYLSRUSA-N 0 1 422.529 2.927 20 10 HFCDMN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000789461027 1077582870 /nfs/dbraw/zinc/58/28/70/1077582870.db2.gz CJBNLLBDQOHALB-FZKQIMNGSA-N 0 1 413.474 2.602 20 10 HFCDMN CCN(CC)[C@H](C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000791907624 1077591432 /nfs/dbraw/zinc/59/14/32/1077591432.db2.gz AIDVITCTHFLPDP-CYBMUJFWSA-N 0 1 409.442 2.830 20 10 HFCDMN O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792156858 1077725331 /nfs/dbraw/zinc/72/53/31/1077725331.db2.gz OSQVAUOEWWWMNH-UHFFFAOYSA-N 0 1 420.840 2.969 20 10 HFCDMN O=C1C[C@]2(CC[N@H+](Cc3cc(Br)cc(Br)c3[O-])C2)CN1 ZINC000789768373 1077769417 /nfs/dbraw/zinc/76/94/17/1077769417.db2.gz MMFHFHIAMXBSDT-CQSZACIVSA-N 0 1 404.102 2.629 20 10 HFCDMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc([C@H]4CCOC4)cc3)CC2)cc1 ZINC000790135110 1077953847 /nfs/dbraw/zinc/95/38/47/1077953847.db2.gz LSIRWWPGQCCGPG-RBBKRZOGSA-N 0 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ZINC000807511025 1080717890 /nfs/dbraw/zinc/71/78/90/1080717890.db2.gz CSXPFSGUNDSJCY-UHFFFAOYSA-N 0 1 424.284 2.791 20 10 HFCDMN Cn1cc(-c2ncccc2NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807511020 1080717941 /nfs/dbraw/zinc/71/79/41/1080717941.db2.gz CPBZDGHYTSAQFO-UHFFFAOYSA-N 0 1 420.256 2.749 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000807512309 1080718709 /nfs/dbraw/zinc/71/87/09/1080718709.db2.gz ROLWYDODZZKXST-UHFFFAOYSA-N 0 1 424.219 2.674 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000807513069 1080721015 /nfs/dbraw/zinc/72/10/15/1080721015.db2.gz RVCRKWLZHNWOFB-UHFFFAOYSA-N 0 1 424.284 2.791 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000807513701 1080723115 /nfs/dbraw/zinc/72/31/15/1080723115.db2.gz SVTYAYILYBNIFZ-UHFFFAOYSA-N 0 1 406.229 2.535 20 10 HFCDMN COc1c([O-])c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775011602 1126109225 /nfs/dbraw/zinc/10/92/25/1126109225.db2.gz LSSKSCCGDYXBRO-GUYCJALGSA-N 0 1 400.353 2.933 20 10 HFCDMN CN(C)c1ccc(CNC[C@H](O)CS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000793020547 1078051272 /nfs/dbraw/zinc/05/12/72/1078051272.db2.gz GRMNKLIZEFOKHW-AWEZNQCLSA-N 0 1 422.494 2.757 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)Cn3ccc4ccccc4c3=O)cc2F)CC1 ZINC000790554508 1078055066 /nfs/dbraw/zinc/05/50/66/1078055066.db2.gz OFSIQLUFBJISBN-UHFFFAOYSA-N 0 1 422.504 2.599 20 10 HFCDMN CCc1nn(C)c(CC)c1CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000790593497 1078063653 /nfs/dbraw/zinc/06/36/53/1078063653.db2.gz IXBBUIVPOLJQOK-UHFFFAOYSA-N 0 1 415.557 2.685 20 10 HFCDMN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Br)ccc1[O-] ZINC000790755532 1078111365 /nfs/dbraw/zinc/11/13/65/1078111365.db2.gz AIXALJNQXODLDR-LBPRGKRZSA-N 0 1 414.321 2.772 20 10 HFCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCc2ncccc2C(N)=O)C1 ZINC000793262375 1078113030 /nfs/dbraw/zinc/11/30/30/1078113030.db2.gz VFVUDVCNNVPUPC-UHFFFAOYSA-N 0 1 406.486 2.645 20 10 HFCDMN C[N@@H+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604965 1078222520 /nfs/dbraw/zinc/22/25/20/1078222520.db2.gz UDCWHNVAHZOVIH-AWEZNQCLSA-N 0 1 414.890 2.595 20 10 HFCDMN C[N@H+]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604965 1078222524 /nfs/dbraw/zinc/22/25/24/1078222524.db2.gz UDCWHNVAHZOVIH-AWEZNQCLSA-N 0 1 414.890 2.595 20 10 HFCDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000793932034 1078341707 /nfs/dbraw/zinc/34/17/07/1078341707.db2.gz RJVBDPLUEAVUAU-GCJKJVERSA-N 0 1 420.557 2.637 20 10 HFCDMN O=C(NCc1cccnc1N1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000804903191 1078758851 /nfs/dbraw/zinc/75/88/51/1078758851.db2.gz GGHPXCRJEBIXTD-UHFFFAOYSA-N 0 1 411.289 2.930 20 10 HFCDMN CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CC1 ZINC000805006767 1078851071 /nfs/dbraw/zinc/85/10/71/1078851071.db2.gz DWRXKMSSRMHXIQ-GOSISDBHSA-N 0 1 418.557 2.623 20 10 HFCDMN 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ZINC000805007579 1078852518 /nfs/dbraw/zinc/85/25/18/1078852518.db2.gz MMFQODDWVZBKLG-ZIFCJYIRSA-N 0 1 418.557 2.525 20 10 HFCDMN CC(=O)NCc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805134955 1078931496 /nfs/dbraw/zinc/93/14/96/1078931496.db2.gz DNVUSABKHGILJY-UHFFFAOYSA-N 0 1 403.287 2.814 20 10 HFCDMN CCOC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cn1C ZINC000805135378 1078932811 /nfs/dbraw/zinc/93/28/11/1078932811.db2.gz RWRRNVKYRCIISR-UHFFFAOYSA-N 0 1 407.275 2.693 20 10 HFCDMN CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000787630943 1076884151 /nfs/dbraw/zinc/88/41/51/1076884151.db2.gz FHNGUVLGDOOJJO-JOCHJYFZSA-N 0 1 422.573 2.664 20 10 HFCDMN COc1ccc(N2CCN(C(=O)C=CC(=O)Nc3nc4ccc(F)cc4[nH]3)CC2)cc1 ZINC000787687493 1076912575 /nfs/dbraw/zinc/91/25/75/1076912575.db2.gz UXZNNODYCCLGTE-CMDGGOBGSA-N 0 1 423.448 2.554 20 10 HFCDMN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000787754697 1076928340 /nfs/dbraw/zinc/92/83/40/1076928340.db2.gz 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CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2OCC)cc([N+](=O)[O-])c1C ZINC000790409296 1078020415 /nfs/dbraw/zinc/02/04/15/1078020415.db2.gz NBIOPFDRIDAGLF-UHFFFAOYSA-N 0 1 424.431 2.985 20 10 HFCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3[C@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000792924111 1078026957 /nfs/dbraw/zinc/02/69/57/1078026957.db2.gz HVQOMLATOXBCMJ-WOSNLTMFSA-N 0 1 419.541 2.699 20 10 HFCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H]3[C@H]3CCCO3)cc2F)C[C@@H](C)O1 ZINC000792924129 1078027218 /nfs/dbraw/zinc/02/72/18/1078027218.db2.gz HVQOMLATOXBCMJ-XWOARTFESA-N 0 1 419.541 2.699 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)c3cnc(OC)c(Cl)c3)cc2F)CC1 ZINC000790457367 1078037789 /nfs/dbraw/zinc/03/77/89/1078037789.db2.gz TVRLNWPLYZYUFH-UHFFFAOYSA-N 0 1 406.889 2.955 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)Cc3ccc(C)nc3Cl)CC2)cc1 ZINC000806320376 1079592460 /nfs/dbraw/zinc/59/24/60/1079592460.db2.gz GYICKSXNKRNWQD-UHFFFAOYSA-N 0 1 416.953 2.923 20 10 HFCDMN COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@H]3[C@@H]3CCCO3)CC2)cc1 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C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793933236 1078342227 /nfs/dbraw/zinc/34/22/27/1078342227.db2.gz ZLNJTCRQQFZKPE-WBVHZDCISA-N 0 1 418.588 2.693 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCCC3(C)C)cc2F)CC1 ZINC000805009122 1078854152 /nfs/dbraw/zinc/85/41/52/1078854152.db2.gz GZPUBJMRWYNMSB-FQEVSTJZSA-N 0 1 418.557 2.669 20 10 HFCDMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135112 1078931160 /nfs/dbraw/zinc/93/11/60/1078931160.db2.gz GFLXPWXLCCYIGE-UHFFFAOYSA-N 0 1 424.327 2.889 20 10 HFCDMN NC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805135931 1078932349 /nfs/dbraw/zinc/93/23/49/1078932349.db2.gz WOCDSBPOOCSLCJ-UHFFFAOYSA-N 0 1 409.678 2.930 20 10 HFCDMN CC(=O)NCCc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000805135281 1078932784 /nfs/dbraw/zinc/93/27/84/1078932784.db2.gz IBNPPBZOAPGQCC-UHFFFAOYSA-N 0 1 417.314 2.856 20 10 HFCDMN CCN(CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000787615633 1076879854 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CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805216473 1078990913 /nfs/dbraw/zinc/99/09/13/1078990913.db2.gz LIWIPUDPQFVKDF-LBPRGKRZSA-N 0 1 410.323 2.640 20 10 HFCDMN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000787451901 1076816738 /nfs/dbraw/zinc/81/67/38/1076816738.db2.gz ZYBSKQVBYOVUCS-RTBURBONSA-N 0 1 407.942 2.821 20 10 HFCDMN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000787636814 1076891449 /nfs/dbraw/zinc/89/14/49/1076891449.db2.gz IXRQBGYFSFKKNZ-OAQYLSRUSA-N 0 1 414.525 2.707 20 10 HFCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000787643152 1076894038 /nfs/dbraw/zinc/89/40/38/1076894038.db2.gz XPHSOUXEEJNVBS-OAQYLSRUSA-N 0 1 414.525 2.659 20 10 HFCDMN COc1ccc(N2CCN(C(=O)C=CC(=O)Nc3nc4ccc(F)cc4[nH]3)CC2)cc1 ZINC000787687496 1076912522 /nfs/dbraw/zinc/91/25/22/1076912522.db2.gz UXZNNODYCCLGTE-HJWRWDBZSA-N 0 1 423.448 2.554 20 10 HFCDMN C[C@@H](NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000787751678 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/nfs/dbraw/zinc/67/11/12/1079671112.db2.gz QWWJOTZEMTYMBS-XMSQKQJNSA-N 0 1 408.546 2.711 20 10 HFCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000807099421 1080279110 /nfs/dbraw/zinc/27/91/10/1080279110.db2.gz VBPUSBGROIAERX-HXUWFJFHSA-N 0 1 422.573 2.800 20 10 HFCDMN CCN1CCN(c2ccc(CNC(=O)c3c(C)nc(C(C)C)[nH]c3=O)cc2F)CC1 ZINC000747384071 1080441706 /nfs/dbraw/zinc/44/17/06/1080441706.db2.gz RCHJXABVMQDHHO-UHFFFAOYSA-N 0 1 415.513 2.825 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000807511803 1080719136 /nfs/dbraw/zinc/71/91/36/1080719136.db2.gz VXLGHAXSLJWBLE-UHFFFAOYSA-N 0 1 411.167 2.713 20 10 HFCDMN CN(C)C(=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000807513594 1080723779 /nfs/dbraw/zinc/72/37/79/1080723779.db2.gz QHGXDNWYNYVPOP-UHFFFAOYSA-N 0 1 410.257 2.656 20 10 HFCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000807513626 1080724207 /nfs/dbraw/zinc/72/42/07/1080724207.db2.gz QXYGRWKCQRSVJY-UHFFFAOYSA-N 0 1 409.273 2.949 20 10 HFCDMN COc1c([O-])c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775011600 1126109252 /nfs/dbraw/zinc/10/92/52/1126109252.db2.gz LSSKSCCGDYXBRO-DYVFJYSZSA-N 0 1 400.353 2.933 20 10 HFCDMN