smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NNC(=O)[C@H](C(=O)[O-])C2CCCC2)nc(C)[nH+]1 ZINC001605213378 972955464 /nfs/dbraw/zinc/95/54/64/972955464.db2.gz GQZJYNMIAUROMP-GFCCVEGCSA-N 0 2 292.339 1.428 20 50 CDGDLN CC(=NNC(=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736122410 978304049 /nfs/dbraw/zinc/30/40/49/978304049.db2.gz UOGGODHDDVBEQB-CYBMUJFWSA-N 0 2 277.324 1.531 20 50 CDGDLN CC(=NNC(=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736122410 978304054 /nfs/dbraw/zinc/30/40/54/978304054.db2.gz UOGGODHDDVBEQB-CYBMUJFWSA-N 0 2 277.324 1.531 20 50 CDGDLN CC(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824184763 608572778 /nfs/dbraw/zinc/57/27/78/608572778.db2.gz KXLLPZXOCMPZDC-UHFFFAOYSA-N 0 2 281.707 1.014 20 50 CDGDLN CC(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824070721 608575635 /nfs/dbraw/zinc/57/56/35/608575635.db2.gz AMZOFFGSDGCWGD-UHFFFAOYSA-N 0 2 295.734 1.404 20 50 CDGDLN O=C([O-])C1(C(=O)NNc2cc[nH+]cc2Cl)CC=CC1 ZINC001594867370 954320503 /nfs/dbraw/zinc/32/05/03/954320503.db2.gz MFBDQHMZGDEVLC-UHFFFAOYSA-N 0 2 281.699 1.021 20 50 CDGDLN Cc1[nH+]c[nH]c1CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599968185 985950394 /nfs/dbraw/zinc/95/03/94/985950394.db2.gz LEVYNVZOTPBEKV-UHFFFAOYSA-N 0 2 274.280 1.102 20 50 CDGDLN CC[N@@H+]1CC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001596415330 984021267 /nfs/dbraw/zinc/02/12/67/984021267.db2.gz OHONTMNJICKFMS-LLVKDONJSA-N 0 2 281.287 1.061 20 50 CDGDLN CC[N@H+]1CC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001596415330 984021273 /nfs/dbraw/zinc/02/12/73/984021273.db2.gz OHONTMNJICKFMS-LLVKDONJSA-N 0 2 281.287 1.061 20 50 CDGDLN CC(C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824229444 946627938 /nfs/dbraw/zinc/62/79/38/946627938.db2.gz QRXARPNYHLVVJV-UHFFFAOYSA-N 0 2 295.734 1.404 20 50 CDGDLN Cc1cc(NNC(=O)[C@H](CC(C)C)NC(=O)[O-])nc(C)[nH+]1 ZINC000738462696 978542202 /nfs/dbraw/zinc/54/22/02/978542202.db2.gz SKCXXRVEVAYVKG-JTQLQIEISA-N 0 2 295.343 1.219 20 50 CDGDLN Cc1cc(NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000832898831 601211744 /nfs/dbraw/zinc/21/17/44/601211744.db2.gz UUZUZYRJZIIZGZ-QWRGUYRKSA-N 0 2 292.339 1.428 20 50 CDGDLN CC=C(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825029608 608627219 /nfs/dbraw/zinc/62/72/19/608627219.db2.gz XJPMCUIHTOSJDJ-UTCJRWHESA-N 0 2 293.718 1.324 20 50 CDGDLN CCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825261341 608571925 /nfs/dbraw/zinc/57/19/25/608571925.db2.gz XHSBJLJWSKBDLJ-UHFFFAOYSA-N 0 2 295.734 1.548 20 50 CDGDLN Cc1cc(NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)nc(C)[nH+]1 ZINC001594325392 958164941 /nfs/dbraw/zinc/16/49/41/958164941.db2.gz VICXBJZWEZOAGD-CQSZACIVSA-N 0 2 290.323 1.348 20 50 CDGDLN C[C@@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824898641 946978204 /nfs/dbraw/zinc/97/82/04/946978204.db2.gz GMLJAFTXXYERNY-IYSWYEEDSA-N 0 2 293.718 1.014 20 50 CDGDLN C=C(CBr)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001588605169 983691066 /nfs/dbraw/zinc/69/10/66/983691066.db2.gz BLXWKTZOKOMYTN-JTQLQIEISA-N 0 2 294.189 1.748 20 50 CDGDLN C=C(CBr)C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001588605169 983691068 /nfs/dbraw/zinc/69/10/68/983691068.db2.gz BLXWKTZOKOMYTN-JTQLQIEISA-N 0 2 294.189 1.748 20 50 CDGDLN O=C([O-])c1ccc(C(=O)NNc2cc[nH+]cc2Cl)cn1 ZINC001594781774 953636833 /nfs/dbraw/zinc/63/68/33/953636833.db2.gz GRQKPLPUFOCGPA-UHFFFAOYSA-N 0 2 292.682 1.007 20 50 CDGDLN CC[N@@H+]1CC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001596415861 984029884 /nfs/dbraw/zinc/02/98/84/984029884.db2.gz WAPPAGAJGVKEES-LLVKDONJSA-N 0 2 281.287 1.061 20 50 CDGDLN CC[N@H+]1CC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001596415861 984029892 /nfs/dbraw/zinc/02/98/92/984029892.db2.gz WAPPAGAJGVKEES-LLVKDONJSA-N 0 2 281.287 1.061 20 50 CDGDLN O=C([O-])[C@@H]1CCC[C@H](C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000833183866 601817906 /nfs/dbraw/zinc/81/79/06/601817906.db2.gz LICQNZLSAQRMOL-DTWKUNHWSA-N 0 2 297.742 1.491 20 50 CDGDLN C=C(CBr)C[N@H+]1CCOC[C@@H]1CC(=O)[O-] ZINC001588605302 983691732 /nfs/dbraw/zinc/69/17/32/983691732.db2.gz GMCZBHCPHPGZCS-VIFPVBQESA-N 0 2 278.146 1.113 20 50 CDGDLN C=C(CBr)C[N@@H+]1CCOC[C@@H]1CC(=O)[O-] ZINC001588605302 983691734 /nfs/dbraw/zinc/69/17/34/983691734.db2.gz GMCZBHCPHPGZCS-VIFPVBQESA-N 0 2 278.146 1.113 20 50 CDGDLN C[C@H]1C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824898639 946978335 /nfs/dbraw/zinc/97/83/35/946978335.db2.gz GMLJAFTXXYERNY-FSPLSTOPSA-N 0 2 293.718 1.014 20 50 CDGDLN CC(C)(F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824162947 946604532 /nfs/dbraw/zinc/60/45/32/946604532.db2.gz VTHFMCYGYKSOPI-UHFFFAOYSA-N 0 2 299.697 1.106 20 50 CDGDLN Cc1cc(NNC(=O)c2cccc(C(=O)[O-])c2)nc(C)[nH+]1 ZINC000738462684 955241862 /nfs/dbraw/zinc/24/18/62/955241862.db2.gz ROQMGBKMYMYBFW-UHFFFAOYSA-N 0 2 286.291 1.549 20 50 CDGDLN CCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825225629 608576692 /nfs/dbraw/zinc/57/66/92/608576692.db2.gz VRHDPCFMSGHXTP-UHFFFAOYSA-N 0 2 281.707 1.158 20 50 CDGDLN Cc1cc(NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)nc(C)[nH+]1 ZINC001594325391 958165259 /nfs/dbraw/zinc/16/52/59/958165259.db2.gz VICXBJZWEZOAGD-AWEZNQCLSA-N 0 2 290.323 1.348 20 50 CDGDLN Cc1cc(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000832898833 601211623 /nfs/dbraw/zinc/21/16/23/601211623.db2.gz UUZUZYRJZIIZGZ-WDEREUQCSA-N 0 2 292.339 1.428 20 50 CDGDLN O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000833183865 601817780 /nfs/dbraw/zinc/81/77/80/601817780.db2.gz LICQNZLSAQRMOL-BDAKNGLRSA-N 0 2 297.742 1.491 20 50 CDGDLN O=C([O-])C1(C(=O)NNc2cc[nH+]cc2Cl)CCCCC1 ZINC001594866956 954318117 /nfs/dbraw/zinc/31/81/17/954318117.db2.gz FNABVXMAJQDORT-UHFFFAOYSA-N 0 2 297.742 1.635 20 50 CDGDLN Cc1cc[nH+]c(NNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000832983613 601799529 /nfs/dbraw/zinc/79/95/29/601799529.db2.gz BXFZQCCRFXVYRH-UHFFFAOYSA-N 0 2 277.305 1.907 20 50 CDGDLN C[NH+](C)c1ccc(N2CCC(=NNC(=O)[O-])CC2)cc1 ZINC000737374973 978400710 /nfs/dbraw/zinc/40/07/10/978400710.db2.gz DPQFDLZZKHUCAT-UHFFFAOYSA-N 0 2 276.340 1.976 20 50 CDGDLN C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)n1cc[nH+]c1 ZINC001589422788 986669931 /nfs/dbraw/zinc/66/99/31/986669931.db2.gz IHTJZRMCEVVXAH-QMMMGPOBSA-N 0 2 292.270 1.425 20 50 CDGDLN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)n1cc[nH+]c1 ZINC001589424067 986687576 /nfs/dbraw/zinc/68/75/76/986687576.db2.gz RIFOJZRHWXFBTI-QMMMGPOBSA-N 0 2 292.270 1.425 20 50 CDGDLN C=C(CBr)C[N@@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC001588606294 983697280 /nfs/dbraw/zinc/69/72/80/983697280.db2.gz VJOIPLKQRHMGCJ-SECBINFHSA-N 0 2 278.146 1.113 20 50 CDGDLN C=C(CBr)C[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC001588606294 983697281 /nfs/dbraw/zinc/69/72/81/983697281.db2.gz VJOIPLKQRHMGCJ-SECBINFHSA-N 0 2 278.146 1.113 20 50 CDGDLN CC[N@@H+]1CC[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001596415332 984021042 /nfs/dbraw/zinc/02/10/42/984021042.db2.gz OHONTMNJICKFMS-NSHDSACASA-N 0 2 281.287 1.061 20 50 CDGDLN CC[N@H+]1CC[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001596415332 984021051 /nfs/dbraw/zinc/02/10/51/984021051.db2.gz OHONTMNJICKFMS-NSHDSACASA-N 0 2 281.287 1.061 20 50 CDGDLN O=C([O-])c1ccc(N2C[C@@H]3[C@@H](Br)[C@@H]3C2)[nH+]c1 ZINC000886919199 956250212 /nfs/dbraw/zinc/25/02/12/956250212.db2.gz DNMOVPPOEYDPKW-MBTKJCJQSA-N 0 2 283.125 1.609 20 50 CDGDLN C=C(CBr)C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001588605319 983692217 /nfs/dbraw/zinc/69/22/17/983692217.db2.gz HJKZBRKNNBXIEV-BDAKNGLRSA-N 0 2 278.146 1.111 20 50 CDGDLN C=C(CBr)C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001588605319 983692219 /nfs/dbraw/zinc/69/22/19/983692219.db2.gz HJKZBRKNNBXIEV-BDAKNGLRSA-N 0 2 278.146 1.111 20 50 CDGDLN CC1(C)C[NH+](CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001593940432 996948981 /nfs/dbraw/zinc/94/89/81/996948981.db2.gz KZAHFRYVXOLMES-UHFFFAOYSA-N 0 2 295.314 1.309 20 50 CDGDLN CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 ZINC000824784453 608575545 /nfs/dbraw/zinc/57/55/45/608575545.db2.gz UEESMTTUOQKNCY-UHFFFAOYSA-N 0 2 293.718 1.158 20 50 CDGDLN C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)n1cc[nH+]c1 ZINC001589424615 986694841 /nfs/dbraw/zinc/69/48/41/986694841.db2.gz XXMLVTMYOBJLOO-MRVPVSSYSA-N 0 2 292.270 1.425 20 50 CDGDLN Cc1[nH+]c[nH]c1CC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599968229 985952214 /nfs/dbraw/zinc/95/22/14/985952214.db2.gz MMPSKDVIDOURML-UHFFFAOYSA-N 0 2 292.270 1.241 20 50 CDGDLN C=CCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823888778 608574332 /nfs/dbraw/zinc/57/43/32/608574332.db2.gz WLIOMZWQBWYVCJ-UHFFFAOYSA-N 0 2 293.718 1.324 20 50 CDGDLN CC[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825052151 947061190 /nfs/dbraw/zinc/06/11/90/947061190.db2.gz VIXCXYYTEIRTAO-LURJTMIESA-N 0 2 295.734 1.404 20 50 CDGDLN C=C(CBr)C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001588605170 983690900 /nfs/dbraw/zinc/69/09/00/983690900.db2.gz BLXWKTZOKOMYTN-SNVBAGLBSA-N 0 2 294.189 1.748 20 50 CDGDLN C=C(CBr)C[N@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001588605170 983690901 /nfs/dbraw/zinc/69/09/01/983690901.db2.gz BLXWKTZOKOMYTN-SNVBAGLBSA-N 0 2 294.189 1.748 20 50 CDGDLN C[C@@H]1C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824898643 946976777 /nfs/dbraw/zinc/97/67/77/946976777.db2.gz GMLJAFTXXYERNY-VDTYLAMSSA-N 0 2 293.718 1.014 20 50 CDGDLN Cc1cc(NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000832898830 601211703 /nfs/dbraw/zinc/21/17/03/601211703.db2.gz UUZUZYRJZIIZGZ-MNOVXSKESA-N 0 2 292.339 1.428 20 50 CDGDLN O=C(CC1CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404059 608574831 /nfs/dbraw/zinc/57/48/31/608574831.db2.gz MVLDDWWLKLDNDG-UHFFFAOYSA-N 0 2 293.718 1.158 20 50 CDGDLN C[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)n1cc[nH+]c1 ZINC001589424066 986687749 /nfs/dbraw/zinc/68/77/49/986687749.db2.gz RIFOJZRHWXFBTI-MRVPVSSYSA-N 0 2 292.270 1.425 20 50 CDGDLN CC=C(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825029610 608627100 /nfs/dbraw/zinc/62/71/00/608627100.db2.gz XJPMCUIHTOSJDJ-ZZXKWVIFSA-N 0 2 293.718 1.324 20 50 CDGDLN O=C([O-])CCCCC(=O)NNc1cc[nH+]cc1Cl ZINC001595032745 951381219 /nfs/dbraw/zinc/38/12/19/951381219.db2.gz QRVAEYMFHYKMHZ-UHFFFAOYSA-N 0 2 271.704 1.245 20 50 CDGDLN C[C@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824898638 946977981 /nfs/dbraw/zinc/97/79/81/946977981.db2.gz GMLJAFTXXYERNY-CAHLUQPWSA-N 0 2 293.718 1.014 20 50 CDGDLN O=C([O-])NCC(=O)NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000738653201 978581253 /nfs/dbraw/zinc/58/12/53/978581253.db2.gz MKZFUYLJZSDINP-UHFFFAOYSA-N 0 2 294.698 1.599 20 50 CDGDLN Cc1cc(NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)nc(C)[nH+]1 ZINC001605213386 972955952 /nfs/dbraw/zinc/95/59/52/972955952.db2.gz GQZJYNMIAUROMP-LBPRGKRZSA-N 0 2 292.339 1.428 20 50 CDGDLN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)n1cc[nH+]c1 ZINC001589424616 986694782 /nfs/dbraw/zinc/69/47/82/986694782.db2.gz XXMLVTMYOBJLOO-QMMMGPOBSA-N 0 2 292.270 1.425 20 50 CDGDLN C=C(CBr)C[N@@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC001588606295 983697203 /nfs/dbraw/zinc/69/72/03/983697203.db2.gz VJOIPLKQRHMGCJ-VIFPVBQESA-N 0 2 278.146 1.113 20 50 CDGDLN C=C(CBr)C[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC001588606295 983697205 /nfs/dbraw/zinc/69/72/05/983697205.db2.gz VJOIPLKQRHMGCJ-VIFPVBQESA-N 0 2 278.146 1.113 20 50 CDGDLN C[C@H](CBr)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001592211228 977261149 /nfs/dbraw/zinc/26/11/49/977261149.db2.gz KNNDQNWEEXTYIL-CSMHCCOUSA-N 0 2 268.126 1.514 20 50 CDGDLN C[C@H](CBr)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001592211228 977261158 /nfs/dbraw/zinc/26/11/58/977261158.db2.gz KNNDQNWEEXTYIL-CSMHCCOUSA-N 0 2 268.126 1.514 20 50 CDGDLN O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000833183867 601817890 /nfs/dbraw/zinc/81/78/90/601817890.db2.gz LICQNZLSAQRMOL-IUCAKERBSA-N 0 2 297.742 1.491 20 50 CDGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc2[nH+]ccn21 ZINC001595262294 949684615 /nfs/dbraw/zinc/68/46/15/949684615.db2.gz XLWKXSFJJNZVFD-UHFFFAOYSA-N 0 2 297.274 1.184 20 50 CDGDLN C[C@@H](CBr)C[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001592211229 977261267 /nfs/dbraw/zinc/26/12/67/977261267.db2.gz KNNDQNWEEXTYIL-FXQIFTODSA-N 0 2 268.126 1.514 20 50 CDGDLN C[C@@H](CBr)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001592211229 977261276 /nfs/dbraw/zinc/26/12/76/977261276.db2.gz KNNDQNWEEXTYIL-FXQIFTODSA-N 0 2 268.126 1.514 20 50 CDGDLN Cc1cc(NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])nc(C)[nH+]1 ZINC000738462697 978542121 /nfs/dbraw/zinc/54/21/21/978542121.db2.gz SKCXXRVEVAYVKG-SNVBAGLBSA-N 0 2 295.343 1.219 20 50 CDGDLN CC(C)=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824178572 608572791 /nfs/dbraw/zinc/57/27/91/608572791.db2.gz YEHDMOJBFLXKNN-UHFFFAOYSA-N 0 2 293.718 1.324 20 50 CDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCC1 ZINC000826445140 608578909 /nfs/dbraw/zinc/57/89/09/608578909.db2.gz ILAIEFONPAYPEY-UHFFFAOYSA-N 0 2 293.718 1.158 20 50 CDGDLN CC(C)(C)[Si](C)(C)OCC[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000616649556 975023576 /nfs/dbraw/zinc/02/35/76/975023576.db2.gz YZULYCLYGVOOHJ-NSHDSACASA-N 0 2 289.448 1.794 20 50 CDGDLN CC(C)(C)[Si](C)(C)OCC[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000616649556 975023579 /nfs/dbraw/zinc/02/35/79/975023579.db2.gz YZULYCLYGVOOHJ-NSHDSACASA-N 0 2 289.448 1.794 20 50 CDGDLN CC(C)(CC(=O)[O-])CC(=O)NNc1cc[nH+]cc1Cl ZINC000833455734 605717597 /nfs/dbraw/zinc/71/75/97/605717597.db2.gz RCQJXAXIVHHJQF-UHFFFAOYSA-N 0 2 285.731 1.491 20 50 CDGDLN Cc1[nH+]c[nH]c1CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599968012 985947345 /nfs/dbraw/zinc/94/73/45/985947345.db2.gz HPUIHTCSDNFQPX-UHFFFAOYSA-N 0 2 292.270 1.241 20 50 CDGDLN O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000833183868 601817974 /nfs/dbraw/zinc/81/79/74/601817974.db2.gz LICQNZLSAQRMOL-RKDXNWHRSA-N 0 2 297.742 1.491 20 50 CDGDLN C=C(CBr)C[N@H+]1CCOC[C@H]1CC(=O)[O-] ZINC001588605301 983691766 /nfs/dbraw/zinc/69/17/66/983691766.db2.gz GMCZBHCPHPGZCS-SECBINFHSA-N 0 2 278.146 1.113 20 50 CDGDLN C=C(CBr)C[N@@H+]1CCOC[C@H]1CC(=O)[O-] ZINC001588605301 983691769 /nfs/dbraw/zinc/69/17/69/983691769.db2.gz GMCZBHCPHPGZCS-SECBINFHSA-N 0 2 278.146 1.113 20 50 CDGDLN Cc1[nH+]c[nH]c1CC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599968331 985954802 /nfs/dbraw/zinc/95/48/02/985954802.db2.gz RTUQFYRPXWQQEZ-UHFFFAOYSA-N 0 2 288.307 1.031 20 50 CDGDLN O=C([O-])c1ccc[nH+]c1N1C[C@@H]2[C@@H](Br)[C@@H]2C1 ZINC000886919449 956249235 /nfs/dbraw/zinc/24/92/35/956249235.db2.gz KSDXLDQWMFBHPP-BRPSZJMVSA-N 0 2 283.125 1.609 20 50 CDGDLN CC[N@@H+]1CC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001596415862 984029864 /nfs/dbraw/zinc/02/98/64/984029864.db2.gz WAPPAGAJGVKEES-NSHDSACASA-N 0 2 281.287 1.061 20 50 CDGDLN CC[N@H+]1CC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001596415862 984029872 /nfs/dbraw/zinc/02/98/72/984029872.db2.gz WAPPAGAJGVKEES-NSHDSACASA-N 0 2 281.287 1.061 20 50 CDGDLN O=C([O-])c1cccc(C(=O)NNc2cc[nH+]cc2Cl)c1 ZINC000821549860 955519592 /nfs/dbraw/zinc/51/95/92/955519592.db2.gz VBUKTEOUDAOTPY-UHFFFAOYSA-N 0 2 291.694 1.612 20 50 CDGDLN Cc1cc(NNC(=O)c2ccc(C(=O)[O-])s2)nc(C)[nH+]1 ZINC000738462717 978542223 /nfs/dbraw/zinc/54/22/23/978542223.db2.gz UMNCDNAXWZMRHB-UHFFFAOYSA-N 0 2 292.320 1.610 20 50 CDGDLN Cc1[nH+]c[nH]c1CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599968322 985954436 /nfs/dbraw/zinc/95/44/36/985954436.db2.gz RKZCBSPWBHRSFD-UHFFFAOYSA-N 0 2 292.270 1.241 20 50 CDGDLN C=C(CBr)C[N@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588605320 983692137 /nfs/dbraw/zinc/69/21/37/983692137.db2.gz HJKZBRKNNBXIEV-IUCAKERBSA-N 0 2 278.146 1.111 20 50 CDGDLN C=C(CBr)C[N@@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588605320 983692139 /nfs/dbraw/zinc/69/21/39/983692139.db2.gz HJKZBRKNNBXIEV-IUCAKERBSA-N 0 2 278.146 1.111 20 50 CDGDLN O=C([O-])c1ccc(C(=O)NNc2cc[nH+]cc2Cl)s1 ZINC000833311476 601818354 /nfs/dbraw/zinc/81/83/54/601818354.db2.gz SWMMMIVZVODWDJ-UHFFFAOYSA-N 0 2 297.723 1.674 20 50 CDGDLN CC(C)(C)[Si](C)(C)OCC[N@@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000616646249 975023484 /nfs/dbraw/zinc/02/34/84/975023484.db2.gz YZULYCLYGVOOHJ-LLVKDONJSA-N 0 2 289.448 1.794 20 50 CDGDLN CC(C)(C)[Si](C)(C)OCC[N@H+]1CCO[C@@H](C(=O)[O-])C1 ZINC000616646249 975023493 /nfs/dbraw/zinc/02/34/93/975023493.db2.gz YZULYCLYGVOOHJ-LLVKDONJSA-N 0 2 289.448 1.794 20 50 CDGDLN CC(=[NH+]NC(=O)[O-])c1ccc(N2CCCC2)cc1O ZINC000823534173 603807262 /nfs/dbraw/zinc/80/72/62/603807262.db2.gz XGFORXZCKSWXJT-UHFFFAOYSA-N 0 2 263.297 1.984 20 50 CDGDLN O=C([O-])N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000738659412 978583577 /nfs/dbraw/zinc/58/35/77/978583577.db2.gz ZIRDTGRGMZAHEX-UHFFFAOYSA-N 0 2 267.260 1.264 20 50 CDGDLN Cc1cc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000832898828 601211667 /nfs/dbraw/zinc/21/16/67/601211667.db2.gz UUZUZYRJZIIZGZ-GHMZBOCLSA-N 0 2 292.339 1.428 20 50 CDGDLN CC[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825052152 947062864 /nfs/dbraw/zinc/06/28/64/947062864.db2.gz VIXCXYYTEIRTAO-ZCFIWIBFSA-N 0 2 295.734 1.404 20 50 CDGDLN C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1F)n1cc[nH+]c1 ZINC001589422787 986669564 /nfs/dbraw/zinc/66/95/64/986669564.db2.gz IHTJZRMCEVVXAH-MRVPVSSYSA-N 0 2 292.270 1.425 20 50 CDGDLN Cc1cc(C)c(C(=O)NNC(=O)c2ccccn2)cc1C=O ZINC000792763462 848226019 /nfs/dbraw/zinc/22/60/19/848226019.db2.gz OKCXSKBSKYVHDW-UHFFFAOYSA-N 0 2 297.314 1.586 20 50 CDGDLN O=C([O-])c1ccc(C(=O)NNc2cc[nH+]cc2Cl)cc1 ZINC000821544264 955516830 /nfs/dbraw/zinc/51/68/30/955516830.db2.gz LRJAHZAGHNTHET-UHFFFAOYSA-N 0 2 291.694 1.612 20 50 CDGDLN O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC001574578465 962089534 /nfs/dbraw/zinc/08/95/34/962089534.db2.gz HYYCNLJFMZPJDV-JGVFFNPUSA-N 0 2 283.715 1.101 20 50 CDGDLN CC(=NNC(=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736122411 978303914 /nfs/dbraw/zinc/30/39/14/978303914.db2.gz UOGGODHDDVBEQB-ZDUSSCGKSA-N 0 2 277.324 1.531 20 50 CDGDLN CC(=NNC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736122411 978303922 /nfs/dbraw/zinc/30/39/22/978303922.db2.gz UOGGODHDDVBEQB-ZDUSSCGKSA-N 0 2 277.324 1.531 20 50 CDGDLN