smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000029188233 1069355546 /nfs/dbraw/zinc/35/55/46/1069355546.db2.gz XXTZTYTUVCNVMI-MRXNPFEDSA-N 2 2 451.593 0.537 20 0 JCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000029188236 1069355254 /nfs/dbraw/zinc/35/52/54/1069355254.db2.gz XXTZTYTUVCNVMI-INIZCTEOSA-N 2 2 451.593 0.537 20 0 JCADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2)C[C@@H](C)O1 ZINC000030694403 1069381923 /nfs/dbraw/zinc/38/19/23/1069381923.db2.gz YWTFKXYIGVBLIM-WOJBJXKFSA-N 2 2 479.647 0.546 20 0 JCADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2)C[C@H](C)O1 ZINC000030694411 1069381974 /nfs/dbraw/zinc/38/19/74/1069381974.db2.gz YWTFKXYIGVBLIM-BGYRXZFFSA-N 2 2 479.647 0.546 20 0 JCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2)C[C@H](C)O1 ZINC000030694411 1069381970 /nfs/dbraw/zinc/38/19/70/1069381970.db2.gz YWTFKXYIGVBLIM-BGYRXZFFSA-N 2 2 479.647 0.546 20 0 JCADLP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2)C[C@H](C)O1 ZINC000030694420 1069382142 /nfs/dbraw/zinc/38/21/42/1069382142.db2.gz YWTFKXYIGVBLIM-PMACEKPBSA-N 2 2 479.647 0.546 20 0 JCADLP COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000109544669 1069939233 /nfs/dbraw/zinc/93/92/33/1069939233.db2.gz NAPVOBDZWWZVON-DEOSSOPVSA-N 2 2 473.574 0.928 20 0 JCADLP COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000109544672 1069939275 /nfs/dbraw/zinc/93/92/75/1069939275.db2.gz NAPVOBDZWWZVON-XMMPIXPASA-N 2 2 473.574 0.928 20 0 JCADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000110180489 1068052396 /nfs/dbraw/zinc/05/23/96/1068052396.db2.gz IZBKVEFXXGIBQO-QGZVFWFLSA-N 2 2 456.595 0.885 20 0 JCADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000110180492 1068052515 /nfs/dbraw/zinc/05/25/15/1068052515.db2.gz IZBKVEFXXGIBQO-KRWDZBQOSA-N 2 2 456.595 0.885 20 0 JCADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000110181418 1069482719 /nfs/dbraw/zinc/48/27/19/1069482719.db2.gz YKOPVEYZIZTJRG-BGYRXZFFSA-N 2 2 458.650 0.714 20 0 JCADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000110181418 1069482712 /nfs/dbraw/zinc/48/27/12/1069482712.db2.gz YKOPVEYZIZTJRG-BGYRXZFFSA-N 2 2 458.650 0.714 20 0 JCADLP CS(=O)(=O)N[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000110181418 1069482707 /nfs/dbraw/zinc/48/27/07/1069482707.db2.gz YKOPVEYZIZTJRG-BGYRXZFFSA-N 2 2 458.650 0.714 20 0 JCADLP CS(=O)(=O)N[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000110181418 1069482703 /nfs/dbraw/zinc/48/27/03/1069482703.db2.gz YKOPVEYZIZTJRG-BGYRXZFFSA-N 2 2 458.650 0.714 20 0 JCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000410328003 1070394542 /nfs/dbraw/zinc/39/45/42/1070394542.db2.gz ARLSSRWWWOYRDL-UHFFFAOYSA-N 2 2 487.630 0.892 20 0 JCADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000410330215 1070394483 /nfs/dbraw/zinc/39/44/83/1070394483.db2.gz MMDGWCNAWUGYSE-UHFFFAOYSA-N 2 2 478.663 0.779 20 0 JCADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000410353000 1070395511 /nfs/dbraw/zinc/39/55/11/1070395511.db2.gz KAZOAMZGJZYLSV-UHFFFAOYSA-N 2 2 466.652 0.846 20 0 JCADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000410353000 1070395495 /nfs/dbraw/zinc/39/54/95/1070395495.db2.gz KAZOAMZGJZYLSV-UHFFFAOYSA-N 2 2 466.652 0.846 20 0 JCADLP C[NH+](C)CCOc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000410380632 1070397103 /nfs/dbraw/zinc/39/71/03/1070397103.db2.gz HBNHGNKKCYRRMR-UHFFFAOYSA-N 2 2 490.630 0.973 20 0 JCADLP C[NH+](C)CCOc1cccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000410407536 1070401495 /nfs/dbraw/zinc/40/14/95/1070401495.db2.gz PDXFQSAEZHLXFM-UHFFFAOYSA-N 2 2 490.630 0.973 20 0 JCADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000410422621 1070402258 /nfs/dbraw/zinc/40/22/58/1070402258.db2.gz YOHHLBOPOUFEKG-UHFFFAOYSA-N 2 2 452.559 0.998 20 0 JCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000480835087 1070167911 /nfs/dbraw/zinc/16/79/11/1070167911.db2.gz XQPIXWADKGUIHI-UHFFFAOYSA-N 2 2 466.608 0.298 20 0 JCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000480835087 1070167903 /nfs/dbraw/zinc/16/79/03/1070167903.db2.gz XQPIXWADKGUIHI-UHFFFAOYSA-N 2 2 466.608 0.298 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000480878273 1070168820 /nfs/dbraw/zinc/16/88/20/1070168820.db2.gz JTDVQHVDVGIWQQ-UHFFFAOYSA-N 2 2 466.608 0.345 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000480878273 1070168817 /nfs/dbraw/zinc/16/88/17/1070168817.db2.gz JTDVQHVDVGIWQQ-UHFFFAOYSA-N 2 2 466.608 0.345 20 0 JCADLP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000480916943 1070169585 /nfs/dbraw/zinc/16/95/85/1070169585.db2.gz MIZBBLOQTPRIMN-UHFFFAOYSA-N 2 2 451.593 0.504 20 0 JCADLP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000480916943 1070169573 /nfs/dbraw/zinc/16/95/73/1070169573.db2.gz MIZBBLOQTPRIMN-UHFFFAOYSA-N 2 2 451.593 0.504 20 0 JCADLP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)c2)CC1 ZINC000480917881 1070169898 /nfs/dbraw/zinc/16/98/98/1070169898.db2.gz PVIPCOHXLIVPDF-UHFFFAOYSA-N 2 2 481.619 0.180 20 0 JCADLP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCC[NH+]3CCOCC3)c2)CC1 ZINC000480917881 1070169892 /nfs/dbraw/zinc/16/98/92/1070169892.db2.gz PVIPCOHXLIVPDF-UHFFFAOYSA-N 2 2 481.619 0.180 20 0 JCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000480937502 1070172137 /nfs/dbraw/zinc/17/21/37/1070172137.db2.gz OAXSRIJNBXCUIG-UHFFFAOYSA-N 2 2 462.576 0.663 20 0 JCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000480937502 1070172132 /nfs/dbraw/zinc/17/21/32/1070172132.db2.gz OAXSRIJNBXCUIG-UHFFFAOYSA-N 2 2 462.576 0.663 20 0 JCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000480979708 1070172823 /nfs/dbraw/zinc/17/28/23/1070172823.db2.gz LVSQLQFWHAOTLC-UHFFFAOYSA-N 2 2 465.620 0.752 20 0 JCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000480979708 1070172814 /nfs/dbraw/zinc/17/28/14/1070172814.db2.gz LVSQLQFWHAOTLC-UHFFFAOYSA-N 2 2 465.620 0.752 20 0 JCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481469553 1070192290 /nfs/dbraw/zinc/19/22/90/1070192290.db2.gz CBMJGNJAFQXCKL-UHFFFAOYSA-N 2 2 494.662 0.095 20 0 JCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481469553 1070192286 /nfs/dbraw/zinc/19/22/86/1070192286.db2.gz CBMJGNJAFQXCKL-UHFFFAOYSA-N 2 2 494.662 0.095 20 0 JCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000481471065 1070192127 /nfs/dbraw/zinc/19/21/27/1070192127.db2.gz HSADUCRQKZDPID-FQEVSTJZSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000481471065 1070192123 /nfs/dbraw/zinc/19/21/23/1070192123.db2.gz HSADUCRQKZDPID-FQEVSTJZSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481471065 1070192120 /nfs/dbraw/zinc/19/21/20/1070192120.db2.gz HSADUCRQKZDPID-FQEVSTJZSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481471065 1070192115 /nfs/dbraw/zinc/19/21/15/1070192115.db2.gz HSADUCRQKZDPID-FQEVSTJZSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000481471066 1070192372 /nfs/dbraw/zinc/19/23/72/1070192372.db2.gz HSADUCRQKZDPID-HXUWFJFHSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000481471066 1070192366 /nfs/dbraw/zinc/19/23/66/1070192366.db2.gz HSADUCRQKZDPID-HXUWFJFHSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481471066 1070192361 /nfs/dbraw/zinc/19/23/61/1070192361.db2.gz HSADUCRQKZDPID-HXUWFJFHSA-N 2 2 495.646 0.424 20 0 JCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C1 ZINC000481471066 1070192357 /nfs/dbraw/zinc/19/23/57/1070192357.db2.gz HSADUCRQKZDPID-HXUWFJFHSA-N 2 2 495.646 0.424 20 0 JCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481482908 1070193526 /nfs/dbraw/zinc/19/35/26/1070193526.db2.gz QJPJYQYCZUZILM-UHFFFAOYSA-N 2 2 494.662 0.094 20 0 JCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481482908 1070193521 /nfs/dbraw/zinc/19/35/21/1070193521.db2.gz QJPJYQYCZUZILM-UHFFFAOYSA-N 2 2 494.662 0.094 20 0 JCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C[C@H](C)O1 ZINC000481523524 1070195476 /nfs/dbraw/zinc/19/54/76/1070195476.db2.gz ZZGSMTAJJPXZAP-KDURUIRLSA-N 2 2 495.646 0.567 20 0 JCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C[C@H](C)O1 ZINC000481523524 1070195473 /nfs/dbraw/zinc/19/54/73/1070195473.db2.gz ZZGSMTAJJPXZAP-KDURUIRLSA-N 2 2 495.646 0.567 20 0 JCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000481523524 1070195472 /nfs/dbraw/zinc/19/54/72/1070195472.db2.gz ZZGSMTAJJPXZAP-KDURUIRLSA-N 2 2 495.646 0.567 20 0 JCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000481523524 1070195467 /nfs/dbraw/zinc/19/54/67/1070195467.db2.gz ZZGSMTAJJPXZAP-KDURUIRLSA-N 2 2 495.646 0.567 20 0 JCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C[C@H](C)O1 ZINC000481523526 1070195518 /nfs/dbraw/zinc/19/55/18/1070195518.db2.gz ZZGSMTAJJPXZAP-OALUTQOASA-N 2 2 495.646 0.567 20 0 JCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C[C@H](C)O1 ZINC000481523526 1070195513 /nfs/dbraw/zinc/19/55/13/1070195513.db2.gz ZZGSMTAJJPXZAP-OALUTQOASA-N 2 2 495.646 0.567 20 0 JCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C[C@@H](C)O1 ZINC000481523528 1070195291 /nfs/dbraw/zinc/19/52/91/1070195291.db2.gz ZZGSMTAJJPXZAP-RTBURBONSA-N 2 2 495.646 0.567 20 0 JCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C[C@@H](C)O1 ZINC000481523528 1070195289 /nfs/dbraw/zinc/19/52/89/1070195289.db2.gz ZZGSMTAJJPXZAP-RTBURBONSA-N 2 2 495.646 0.567 20 0 JCADLP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CCOCC1 ZINC000482523176 1070209008 /nfs/dbraw/zinc/20/90/08/1070209008.db2.gz FGOCCPVXDPYGBI-GOSISDBHSA-N 2 2 461.563 0.958 20 0 JCADLP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CCOCC1 ZINC000482523183 1070208938 /nfs/dbraw/zinc/20/89/38/1070208938.db2.gz FGOCCPVXDPYGBI-SFHVURJKSA-N 2 2 461.563 0.958 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CCN(C)CC1 ZINC000482598756 1070210386 /nfs/dbraw/zinc/21/03/86/1070210386.db2.gz BUCDHPIZNHVDLM-IBGZPJMESA-N 2 2 460.579 0.483 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CCN(C)CC1 ZINC000482598757 1070210412 /nfs/dbraw/zinc/21/04/12/1070210412.db2.gz BUCDHPIZNHVDLM-LJQANCHMSA-N 2 2 460.579 0.483 20 0 JCADLP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)ccc2oc1=O ZINC000483471534 1070223060 /nfs/dbraw/zinc/22/30/60/1070223060.db2.gz FODJAZIMBFEXIV-UHFFFAOYSA-N 2 2 486.573 0.251 20 0 JCADLP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)ccc2oc1=O ZINC000483471534 1070223054 /nfs/dbraw/zinc/22/30/54/1070223054.db2.gz FODJAZIMBFEXIV-UHFFFAOYSA-N 2 2 486.573 0.251 20 0 JCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483566594 1070225229 /nfs/dbraw/zinc/22/52/29/1070225229.db2.gz WMPSMNDKMKXNQK-UHFFFAOYSA-N 2 2 493.528 0.120 20 0 JCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483650500 1070226352 /nfs/dbraw/zinc/22/63/52/1070226352.db2.gz YTVUKSBGTFKMNX-UHFFFAOYSA-N 2 2 488.589 0.497 20 0 JCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000483650500 1070226341 /nfs/dbraw/zinc/22/63/41/1070226341.db2.gz YTVUKSBGTFKMNX-UHFFFAOYSA-N 2 2 488.589 0.497 20 0 JCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN(C(=O)C[NH+]4CCCC4)CC3)CC2)cc1OC ZINC000489097289 1070335565 /nfs/dbraw/zinc/33/55/65/1070335565.db2.gz QLXDCLAXYPZPGM-UHFFFAOYSA-N 2 2 487.645 0.896 20 0 JCADLP 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NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C1 ZINC000489910045 1070364614 /nfs/dbraw/zinc/36/46/14/1070364614.db2.gz YNZBCHMURKBETG-UXHICEINSA-N 2 2 457.575 0.503 20 0 JCADLP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C1 ZINC000489910047 1070364789 /nfs/dbraw/zinc/36/47/89/1070364789.db2.gz YNZBCHMURKBETG-VQTJNVASSA-N 2 2 457.575 0.503 20 0 JCADLP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C1 ZINC000489910047 1070364778 /nfs/dbraw/zinc/36/47/78/1070364778.db2.gz YNZBCHMURKBETG-VQTJNVASSA-N 2 2 457.575 0.503 20 0 JCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C1 ZINC000489910050 1070364870 /nfs/dbraw/zinc/36/48/70/1070364870.db2.gz YNZBCHMURKBETG-WOJBJXKFSA-N 2 2 457.575 0.503 20 0 JCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2)C1 ZINC000489910050 1070364860 /nfs/dbraw/zinc/36/48/60/1070364860.db2.gz YNZBCHMURKBETG-WOJBJXKFSA-N 2 2 457.575 0.503 20 0 JCADLP CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)CC1 ZINC000497424906 1068212045 /nfs/dbraw/zinc/21/20/45/1068212045.db2.gz AMAWUZZJTWWDGX-UHFFFAOYSA-N 2 2 491.658 0.828 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000497425328 1068212274 /nfs/dbraw/zinc/21/22/74/1068212274.db2.gz LRXMSCSTCBXVAX-UHFFFAOYSA-N 2 2 450.605 0.996 20 0 JCADLP COc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000497431444 1068213167 /nfs/dbraw/zinc/21/31/67/1068213167.db2.gz BYWJSIPSBBQXQN-UHFFFAOYSA-N 2 2 494.658 0.933 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)CC1 ZINC000497437830 1068211657 /nfs/dbraw/zinc/21/16/57/1068211657.db2.gz IEFAPQYSOIYEHK-UHFFFAOYSA-N 2 2 463.604 0.096 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)CC1 ZINC000497439860 1068219684 /nfs/dbraw/zinc/21/96/84/1068219684.db2.gz MLEWBYGAPPQQFH-UHFFFAOYSA-N 2 2 465.620 0.459 20 0 JCADLP CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000497442921 1068213888 /nfs/dbraw/zinc/21/38/88/1068213888.db2.gz REFHPIHINQVJQF-UHFFFAOYSA-N 2 2 465.620 0.940 20 0 JCADLP CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000497444155 1068213947 /nfs/dbraw/zinc/21/39/47/1068213947.db2.gz PJCJDIXUPAIYTE-INIZCTEOSA-N 2 2 465.620 0.987 20 0 JCADLP CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)CC1 ZINC000497446549 1068214362 /nfs/dbraw/zinc/21/43/62/1068214362.db2.gz YPNDADKWQYPBAR-UHFFFAOYSA-N 2 2 491.658 0.828 20 0 JCADLP Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)cc1 ZINC000497446886 1068215743 /nfs/dbraw/zinc/21/57/43/1068215743.db2.gz SXMZENIIBHUFHV-UHFFFAOYSA-N 2 2 477.675 0.976 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)CC1 ZINC000497454008 1068217909 /nfs/dbraw/zinc/21/79/09/1068217909.db2.gz SWTIMMYLLRLPSA-UHFFFAOYSA-N 2 2 450.605 0.996 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000497749566 1068297386 /nfs/dbraw/zinc/29/73/86/1068297386.db2.gz DTQNVRHRABIBCK-UHFFFAOYSA-N 2 2 466.604 0.801 20 0 JCADLP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000497755437 1068298588 /nfs/dbraw/zinc/29/85/88/1068298588.db2.gz MBNIWJDGDRUDNS-UHFFFAOYSA-N 2 2 465.620 0.342 20 0 JCADLP CSc1nnnn1-c1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000497919778 1068324021 /nfs/dbraw/zinc/32/40/21/1068324021.db2.gz SKGWXUCGKIBCQZ-UHFFFAOYSA-N 2 2 458.592 0.998 20 0 JCADLP CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000497920586 1068324823 /nfs/dbraw/zinc/32/48/23/1068324823.db2.gz DAVBHSITOBNZHM-UHFFFAOYSA-N 2 2 494.662 0.616 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)CC1 ZINC000497924832 1068321415 /nfs/dbraw/zinc/32/14/15/1068321415.db2.gz XMOZDULISBXLMR-UHFFFAOYSA-N 2 2 486.617 0.571 20 0 JCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000497928429 1068325415 /nfs/dbraw/zinc/32/54/15/1068325415.db2.gz VTDPWVXNLSIRME-UHFFFAOYSA-N 2 2 465.620 0.987 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)CC1 ZINC000497931431 1068326953 /nfs/dbraw/zinc/32/69/53/1068326953.db2.gz BVMVENPWEJZENT-UHFFFAOYSA-N 2 2 481.594 0.979 20 0 JCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000497936576 1068328941 /nfs/dbraw/zinc/32/89/41/1068328941.db2.gz GOMPDWNMTTUADK-UHFFFAOYSA-N 2 2 451.593 0.550 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)CC1 ZINC000497937334 1068328587 /nfs/dbraw/zinc/32/85/87/1068328587.db2.gz JYPSKZIQYKCSGA-UHFFFAOYSA-N 2 2 493.630 0.321 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CC1 ZINC000497938658 1068332857 /nfs/dbraw/zinc/33/28/57/1068332857.db2.gz OMZPSSCAKGTZKX-UHFFFAOYSA-N 2 2 493.630 0.321 20 0 JCADLP Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1S(=O)(=O)N(C)C ZINC000497942106 1068334654 /nfs/dbraw/zinc/33/46/54/1068334654.db2.gz ZPUPAWJIOXZIID-UHFFFAOYSA-N 2 2 465.620 0.859 20 0 JCADLP COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000497965054 1068337215 /nfs/dbraw/zinc/33/72/15/1068337215.db2.gz UPHIZWGMZHGKLW-UHFFFAOYSA-N 2 2 493.630 0.749 20 0 JCADLP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)c(=O)n2C ZINC000498550358 1068579535 /nfs/dbraw/zinc/57/95/35/1068579535.db2.gz WSDPZVDYLFKPPX-FQEVSTJZSA-N 2 2 480.617 0.753 20 0 JCADLP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C1)c(=O)n2C ZINC000498550358 1068579522 /nfs/dbraw/zinc/57/95/22/1068579522.db2.gz WSDPZVDYLFKPPX-FQEVSTJZSA-N 2 2 480.617 0.753 20 0 JCADLP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)c(=O)n2C ZINC000498550359 1068579753 /nfs/dbraw/zinc/57/97/53/1068579753.db2.gz WSDPZVDYLFKPPX-HXUWFJFHSA-N 2 2 480.617 0.753 20 0 JCADLP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C1)c(=O)n2C ZINC000498550359 1068579739 /nfs/dbraw/zinc/57/97/39/1068579739.db2.gz WSDPZVDYLFKPPX-HXUWFJFHSA-N 2 2 480.617 0.753 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000499193297 1068816726 /nfs/dbraw/zinc/81/67/26/1068816726.db2.gz QVXYWOKWQLJKRK-UHFFFAOYSA-N 3 2 493.612 0.736 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499210841 1068825453 /nfs/dbraw/zinc/82/54/53/1068825453.db2.gz HDBKBODWZGISIZ-IBGZPJMESA-N 2 2 475.590 0.591 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499210843 1068825122 /nfs/dbraw/zinc/82/51/22/1068825122.db2.gz HDBKBODWZGISIZ-LJQANCHMSA-N 2 2 475.590 0.591 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000499537516 1069492428 /nfs/dbraw/zinc/49/24/28/1069492428.db2.gz ITKYGEPALJPQQJ-UHFFFAOYSA-N 2 2 480.617 0.876 20 0 JCADLP C[NH+]1CCN(c2cc(CNC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)ccn2)CC1 ZINC000499599261 1069500125 /nfs/dbraw/zinc/50/01/25/1069500125.db2.gz JKIYOIKVMGETQB-UHFFFAOYSA-N 2 2 453.595 0.635 20 0 JCADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000500095894 1067981420 /nfs/dbraw/zinc/98/14/20/1067981420.db2.gz BQHKUGUABPTRRE-UHFFFAOYSA-N 2 2 466.652 0.848 20 0 JCADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000500604624 1068102468 /nfs/dbraw/zinc/10/24/68/1068102468.db2.gz IUJGNAIJFRLVFD-UHFFFAOYSA-N 2 2 496.678 0.727 20 0 JCADLP CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)cn2)CC1 ZINC000500658195 1068107029 /nfs/dbraw/zinc/10/70/29/1068107029.db2.gz ZHVHALKBDNURIZ-UHFFFAOYSA-N 2 2 464.578 0.932 20 0 JCADLP CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000500689315 1068109042 /nfs/dbraw/zinc/10/90/42/1068109042.db2.gz RTVILHOBBMMXFD-UHFFFAOYSA-N 2 2 457.623 0.919 20 0 JCADLP CN(C(=O)Cc1csc(N2CCCC2=O)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500775551 1068123917 /nfs/dbraw/zinc/12/39/17/1068123917.db2.gz BEZHOKJSJJIHBK-UHFFFAOYSA-N 2 2 462.620 0.509 20 0 JCADLP CN(C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500777009 1068124058 /nfs/dbraw/zinc/12/40/58/1068124058.db2.gz FMUUCTRKFLSAGJ-NRFANRHFSA-N 2 2 499.612 0.508 20 0 JCADLP CN(C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500777031 1068123874 /nfs/dbraw/zinc/12/38/74/1068123874.db2.gz FMUUCTRKFLSAGJ-OAQYLSRUSA-N 2 2 499.612 0.508 20 0 JCADLP CN(C(=O)C1CCN(c2ccc3nncn3n2)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500777661 1068124029 /nfs/dbraw/zinc/12/40/29/1068124029.db2.gz HPFVVQAJQPGKPX-UHFFFAOYSA-N 2 2 483.621 0.038 20 0 JCADLP Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500779688 1068124540 /nfs/dbraw/zinc/12/45/40/1068124540.db2.gz NASCYZVNZYSDOA-JOCHJYFZSA-N 2 2 486.596 0.601 20 0 JCADLP Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500779689 1068124764 /nfs/dbraw/zinc/12/47/64/1068124764.db2.gz NASCYZVNZYSDOA-QFIPXVFZSA-N 2 2 486.596 0.601 20 0 JCADLP CN(C(=O)CCn1cnc2sccc2c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500783182 1068124864 /nfs/dbraw/zinc/12/48/64/1068124864.db2.gz XYZKCHKBCJKRMO-UHFFFAOYSA-N 2 2 460.604 0.545 20 0 JCADLP COc1cccc(C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n2nnnc2C)c1 ZINC000500784783 1068124510 /nfs/dbraw/zinc/12/45/10/1068124510.db2.gz DOMZDMKVYSOXMV-HSZRJFAPSA-N 2 2 498.632 0.471 20 0 JCADLP COc1cccc(C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n2nnnc2C)c1 ZINC000500784784 1068124839 /nfs/dbraw/zinc/12/48/39/1068124839.db2.gz DOMZDMKVYSOXMV-QHCPKHFHSA-N 2 2 498.632 0.471 20 0 JCADLP Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500785247 1068124649 /nfs/dbraw/zinc/12/46/49/1068124649.db2.gz FVAWUZFEQWAPAG-JOCHJYFZSA-N 2 2 486.596 0.601 20 0 JCADLP Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500785248 1068124575 /nfs/dbraw/zinc/12/45/75/1068124575.db2.gz FVAWUZFEQWAPAG-QFIPXVFZSA-N 2 2 486.596 0.601 20 0 JCADLP Cc1cccc([C@H](CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)NC(N)=O)c1 ZINC000500787127 1068124697 /nfs/dbraw/zinc/12/46/97/1068124697.db2.gz MFZMXKRINKORIZ-NRFANRHFSA-N 2 2 458.607 0.791 20 0 JCADLP Cc1cccc([C@@H](CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)NC(N)=O)c1 ZINC000500787130 1068124882 /nfs/dbraw/zinc/12/48/82/1068124882.db2.gz MFZMXKRINKORIZ-OAQYLSRUSA-N 2 2 458.607 0.791 20 0 JCADLP CN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500789139 1068124804 /nfs/dbraw/zinc/12/48/04/1068124804.db2.gz XSULXRUXJXDDKU-UHFFFAOYSA-N 2 2 491.658 0.709 20 0 JCADLP CC(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCC(C)CC1 ZINC000501149576 1068284923 /nfs/dbraw/zinc/28/49/23/1068284923.db2.gz GLKWYTNYJAKTFN-FQEVSTJZSA-N 2 2 458.673 0.562 20 0 JCADLP CC(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCC(C)CC1 ZINC000501149577 1068284986 /nfs/dbraw/zinc/28/49/86/1068284986.db2.gz GLKWYTNYJAKTFN-HXUWFJFHSA-N 2 2 458.673 0.562 20 0 JCADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000501185574 1068286203 /nfs/dbraw/zinc/28/62/03/1068286203.db2.gz HFCRBQGKCWNSHL-IBGZPJMESA-N 2 2 472.681 0.950 20 0 JCADLP CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000501185583 1068286043 /nfs/dbraw/zinc/28/60/43/1068286043.db2.gz HFCRBQGKCWNSHL-LJQANCHMSA-N 2 2 472.681 0.950 20 0 JCADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000501221139 1068286156 /nfs/dbraw/zinc/28/61/56/1068286156.db2.gz HXRCESMYTCLPBD-JOCHJYFZSA-N 2 2 480.679 0.759 20 0 JCADLP CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000501221226 1068286717 /nfs/dbraw/zinc/28/67/17/1068286717.db2.gz HXRCESMYTCLPBD-QFIPXVFZSA-N 2 2 480.679 0.759 20 0 JCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000501252827 1068290775 /nfs/dbraw/zinc/29/07/75/1068290775.db2.gz JKFYXGWNKYQJMG-UHFFFAOYSA-N 2 2 472.615 0.891 20 0 JCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000501252827 1068290766 /nfs/dbraw/zinc/29/07/66/1068290766.db2.gz JKFYXGWNKYQJMG-UHFFFAOYSA-N 2 2 472.615 0.891 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CC1 ZINC000501257486 1068290695 /nfs/dbraw/zinc/29/06/95/1068290695.db2.gz QMINQLOZMPLUSY-UHFFFAOYSA-N 2 2 450.605 0.996 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000501258321 1068291444 /nfs/dbraw/zinc/29/14/44/1068291444.db2.gz ZKMJNXYJKPPQAH-UHFFFAOYSA-N 2 2 467.636 0.554 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)CC1 ZINC000501271474 1068294552 /nfs/dbraw/zinc/29/45/52/1068294552.db2.gz WOVAFHZVINHVBG-UHFFFAOYSA-N 2 2 463.604 0.096 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)CC1 ZINC000501272030 1068293910 /nfs/dbraw/zinc/29/39/10/1068293910.db2.gz QKXQWAGWEKAXAG-UHFFFAOYSA-N 2 2 470.661 0.986 20 0 JCADLP CC[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501379138 1068302637 /nfs/dbraw/zinc/30/26/37/1068302637.db2.gz UVMWYLWGTCAJBS-JOCHJYFZSA-N 2 2 478.663 0.643 20 0 JCADLP CC[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501379138 1068302625 /nfs/dbraw/zinc/30/26/25/1068302625.db2.gz UVMWYLWGTCAJBS-JOCHJYFZSA-N 2 2 478.663 0.643 20 0 JCADLP CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000501379139 1068302546 /nfs/dbraw/zinc/30/25/46/1068302546.db2.gz UVMWYLWGTCAJBS-QFIPXVFZSA-N 2 2 478.663 0.643 20 0 JCADLP CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000501379139 1068302527 /nfs/dbraw/zinc/30/25/27/1068302527.db2.gz UVMWYLWGTCAJBS-QFIPXVFZSA-N 2 2 478.663 0.643 20 0 JCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N3CCC[N@@H+](C)CC3)CC2)CC1 ZINC000501461070 1068307204 /nfs/dbraw/zinc/30/72/04/1068307204.db2.gz LQQWKVXJVZGPBP-UHFFFAOYSA-N 2 2 498.628 0.415 20 0 JCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N3CCC[N@H+](C)CC3)CC2)CC1 ZINC000501461070 1068307186 /nfs/dbraw/zinc/30/71/86/1068307186.db2.gz LQQWKVXJVZGPBP-UHFFFAOYSA-N 2 2 498.628 0.415 20 0 JCADLP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000501469980 1068307084 /nfs/dbraw/zinc/30/70/84/1068307084.db2.gz JFZFOLPEAGBNJO-UHFFFAOYSA-N 2 2 458.607 0.547 20 0 JCADLP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000501469980 1068307064 /nfs/dbraw/zinc/30/70/64/1068307064.db2.gz JFZFOLPEAGBNJO-UHFFFAOYSA-N 2 2 458.607 0.547 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000501474280 1068307395 /nfs/dbraw/zinc/30/73/95/1068307395.db2.gz IQHAVASPJJWPDO-NRFANRHFSA-N 2 2 459.591 0.876 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000501474280 1068307377 /nfs/dbraw/zinc/30/73/77/1068307377.db2.gz IQHAVASPJJWPDO-NRFANRHFSA-N 2 2 459.591 0.876 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000501474281 1068306985 /nfs/dbraw/zinc/30/69/85/1068306985.db2.gz IQHAVASPJJWPDO-OAQYLSRUSA-N 2 2 459.591 0.876 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000501474281 1068306966 /nfs/dbraw/zinc/30/69/66/1068306966.db2.gz IQHAVASPJJWPDO-OAQYLSRUSA-N 2 2 459.591 0.876 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000501500024 1068310596 /nfs/dbraw/zinc/31/05/96/1068310596.db2.gz UWAAWWQIIALFBL-JOCHJYFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000501500024 1068310576 /nfs/dbraw/zinc/31/05/76/1068310576.db2.gz UWAAWWQIIALFBL-JOCHJYFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000501500024 1068310559 /nfs/dbraw/zinc/31/05/59/1068310559.db2.gz UWAAWWQIIALFBL-JOCHJYFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000501500024 1068310550 /nfs/dbraw/zinc/31/05/50/1068310550.db2.gz UWAAWWQIIALFBL-JOCHJYFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000501500025 1068310722 /nfs/dbraw/zinc/31/07/22/1068310722.db2.gz UWAAWWQIIALFBL-QFIPXVFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000501500025 1068310706 /nfs/dbraw/zinc/31/07/06/1068310706.db2.gz UWAAWWQIIALFBL-QFIPXVFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000501500025 1068310690 /nfs/dbraw/zinc/31/06/90/1068310690.db2.gz UWAAWWQIIALFBL-QFIPXVFZSA-N 2 2 472.634 0.791 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000501500025 1068310675 /nfs/dbraw/zinc/31/06/75/1068310675.db2.gz UWAAWWQIIALFBL-QFIPXVFZSA-N 2 2 472.634 0.791 20 0 JCADLP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000501504750 1068311804 /nfs/dbraw/zinc/31/18/04/1068311804.db2.gz HEBONBLATPAEJJ-UHFFFAOYSA-N 2 2 498.628 0.560 20 0 JCADLP C[NH+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000501504750 1068311786 /nfs/dbraw/zinc/31/17/86/1068311786.db2.gz HEBONBLATPAEJJ-UHFFFAOYSA-N 2 2 498.628 0.560 20 0 JCADLP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000501504750 1068311771 /nfs/dbraw/zinc/31/17/71/1068311771.db2.gz HEBONBLATPAEJJ-UHFFFAOYSA-N 2 2 498.628 0.560 20 0 JCADLP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000501504750 1068311756 /nfs/dbraw/zinc/31/17/56/1068311756.db2.gz HEBONBLATPAEJJ-UHFFFAOYSA-N 2 2 498.628 0.560 20 0 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JCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2)CC1 ZINC000514335833 1068552295 /nfs/dbraw/zinc/55/22/95/1068552295.db2.gz OMGQEUFKRKUXLF-UHFFFAOYSA-N 2 2 471.602 0.512 20 0 JCADLP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)c2)CC1 ZINC000514336150 1068550789 /nfs/dbraw/zinc/55/07/89/1068550789.db2.gz VHYOWHGNBWBSPW-UHFFFAOYSA-N 2 2 498.628 0.479 20 0 JCADLP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)c2)CC1 ZINC000514336150 1068550774 /nfs/dbraw/zinc/55/07/74/1068550774.db2.gz VHYOWHGNBWBSPW-UHFFFAOYSA-N 2 2 498.628 0.479 20 0 JCADLP C[NH+]1CCN(CCCNC(=O)CC2(CC(=O)NCCCN3CC[NH+](C)CC3)CCCC2)CC1 ZINC000514340163 1068559406 /nfs/dbraw/zinc/55/94/06/1068559406.db2.gz BNURIYJMEZBGSY-UHFFFAOYSA-N 2 2 464.699 0.834 20 0 JCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)CC1 ZINC000514347463 1068582612 /nfs/dbraw/zinc/58/26/12/1068582612.db2.gz ZESAQHYHMJPOAN-UHFFFAOYSA-N 2 2 478.682 0.312 20 0 JCADLP 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CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2)CC1 ZINC000514467990 1068693133 /nfs/dbraw/zinc/69/31/33/1068693133.db2.gz UVEBGHVHJWAXDB-UHFFFAOYSA-N 2 2 484.645 0.775 20 0 JCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000514468939 1068696792 /nfs/dbraw/zinc/69/67/92/1068696792.db2.gz ADBUGRWAZORCMU-NRFANRHFSA-N 2 2 457.623 0.932 20 0 JCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000514468939 1068696784 /nfs/dbraw/zinc/69/67/84/1068696784.db2.gz ADBUGRWAZORCMU-NRFANRHFSA-N 2 2 457.623 0.932 20 0 JCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000514468940 1068696809 /nfs/dbraw/zinc/69/68/09/1068696809.db2.gz ADBUGRWAZORCMU-OAQYLSRUSA-N 2 2 457.623 0.932 20 0 JCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000514468940 1068696803 /nfs/dbraw/zinc/69/68/03/1068696803.db2.gz ADBUGRWAZORCMU-OAQYLSRUSA-N 2 2 457.623 0.932 20 0 JCADLP 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O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000514480975 1068728330 /nfs/dbraw/zinc/72/83/30/1068728330.db2.gz WEQGOTRTYMKHPU-IBGZPJMESA-N 2 2 450.609 0.803 20 0 JCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000514480976 1068728315 /nfs/dbraw/zinc/72/83/15/1068728315.db2.gz WEQGOTRTYMKHPU-LJQANCHMSA-N 2 2 450.609 0.803 20 0 JCADLP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000514481620 1068731951 /nfs/dbraw/zinc/73/19/51/1068731951.db2.gz GGFCXOCZBZPHSX-KRWDZBQOSA-N 2 2 490.580 0.857 20 0 JCADLP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000514481620 1068731946 /nfs/dbraw/zinc/73/19/46/1068731946.db2.gz GGFCXOCZBZPHSX-KRWDZBQOSA-N 2 2 490.580 0.857 20 0 JCADLP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000514481621 1068732158 /nfs/dbraw/zinc/73/21/58/1068732158.db2.gz GGFCXOCZBZPHSX-QGZVFWFLSA-N 2 2 490.580 0.857 20 0 JCADLP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000514481621 1068732148 /nfs/dbraw/zinc/73/21/48/1068732148.db2.gz GGFCXOCZBZPHSX-QGZVFWFLSA-N 2 2 490.580 0.857 20 0 JCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000514482087 1068730613 /nfs/dbraw/zinc/73/06/13/1068730613.db2.gz GKXCRQIEDLXSIH-FQEVSTJZSA-N 2 2 465.639 0.110 20 0 JCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000514482088 1068730539 /nfs/dbraw/zinc/73/05/39/1068730539.db2.gz GKXCRQIEDLXSIH-HXUWFJFHSA-N 2 2 465.639 0.110 20 0 JCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)CC1 ZINC000514547390 1068746827 /nfs/dbraw/zinc/74/68/27/1068746827.db2.gz IEGUNAGWDOUCBC-UHFFFAOYSA-N 2 2 472.634 0.869 20 0 JCADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000515291365 1068805209 /nfs/dbraw/zinc/80/52/09/1068805209.db2.gz RASMPAHPXHJSND-NRFANRHFSA-N 2 2 466.652 0.889 20 0 JCADLP CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000515291366 1068805430 /nfs/dbraw/zinc/80/54/30/1068805430.db2.gz RASMPAHPXHJSND-OAQYLSRUSA-N 2 2 466.652 0.889 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000515398752 1068809179 /nfs/dbraw/zinc/80/91/79/1068809179.db2.gz PXPAEXBFOXOEGR-UHFFFAOYSA-N 2 2 491.618 0.420 20 0 JCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN(C(=O)C[NH+](C)C)CC3)CC2)cc1OC ZINC000515547046 1068821136 /nfs/dbraw/zinc/82/11/36/1068821136.db2.gz GJBGPKREGLTXII-UHFFFAOYSA-N 2 2 461.607 0.362 20 0 JCADLP C[NH+](C)CCC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000515804601 1068846612 /nfs/dbraw/zinc/84/66/12/1068846612.db2.gz VVVBFLQRGHNUBQ-UHFFFAOYSA-N 2 2 452.625 0.907 20 0 JCADLP C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCCC1 ZINC000515823486 1068849226 /nfs/dbraw/zinc/84/92/26/1068849226.db2.gz ITDOTHJYUBDNFG-IBGZPJMESA-N 2 2 452.625 0.955 20 0 JCADLP C[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCCC1 ZINC000515823487 1068848986 /nfs/dbraw/zinc/84/89/86/1068848986.db2.gz ITDOTHJYUBDNFG-LJQANCHMSA-N 2 2 452.625 0.955 20 0 JCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)cn2)CC1 ZINC000515881158 1068859001 /nfs/dbraw/zinc/85/90/01/1068859001.db2.gz FWQHLQWQIPVQOO-UHFFFAOYSA-N 2 2 466.586 0.963 20 0 JCADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)ccn2)CC1 ZINC000515899465 1068862450 /nfs/dbraw/zinc/86/24/50/1068862450.db2.gz UIXSRICHBHCVOG-UHFFFAOYSA-N 2 2 466.586 0.963 20 0 JCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000515917129 1068866235 /nfs/dbraw/zinc/86/62/35/1068866235.db2.gz ZUUSGVAUHOEOIX-NRFANRHFSA-N 2 2 459.591 0.415 20 0 JCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000515917129 1068866223 /nfs/dbraw/zinc/86/62/23/1068866223.db2.gz ZUUSGVAUHOEOIX-NRFANRHFSA-N 2 2 459.591 0.415 20 0 JCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000515917130 1068865924 /nfs/dbraw/zinc/86/59/24/1068865924.db2.gz ZUUSGVAUHOEOIX-OAQYLSRUSA-N 2 2 459.591 0.415 20 0 JCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000515917130 1068865910 /nfs/dbraw/zinc/86/59/10/1068865910.db2.gz ZUUSGVAUHOEOIX-OAQYLSRUSA-N 2 2 459.591 0.415 20 0 JCADLP C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)CC1 ZINC000515970173 1068881656 /nfs/dbraw/zinc/88/16/56/1068881656.db2.gz GPPYGKQDBKRYQS-UHFFFAOYSA-N 2 2 492.646 0.326 20 0 JCADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000516029109 1068891462 /nfs/dbraw/zinc/89/14/62/1068891462.db2.gz ZEHSUJNOXOALNH-UHFFFAOYSA-N 2 2 452.519 0.721 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000516150206 1068923899 /nfs/dbraw/zinc/92/38/99/1068923899.db2.gz GMPGYFMBZKLDGX-UHFFFAOYSA-N 2 2 460.579 0.357 20 0 JCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)c2)CC1 ZINC000516305421 1068939310 /nfs/dbraw/zinc/93/93/10/1068939310.db2.gz LXZZBMSDHMBMSG-UHFFFAOYSA-N 2 2 465.602 0.836 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2)CC1 ZINC000516305481 1068939427 /nfs/dbraw/zinc/93/94/27/1068939427.db2.gz NMZOLKLCFUCNPJ-UHFFFAOYSA-N 2 2 479.585 0.476 20 0 JCADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000516445083 1068976787 /nfs/dbraw/zinc/97/67/87/1068976787.db2.gz YFLIIBMYLVUADN-UHFFFAOYSA-N 2 2 480.635 0.103 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000516733139 1069020791 /nfs/dbraw/zinc/02/07/91/1069020791.db2.gz FYKWVRGJZXTJMK-UHFFFAOYSA-N 2 2 492.624 0.947 20 0 JCADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000516736047 1069021293 /nfs/dbraw/zinc/02/12/93/1069021293.db2.gz LVJIUZKMOUJUNZ-UHFFFAOYSA-N 2 2 493.612 0.623 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000516741553 1069018542 /nfs/dbraw/zinc/01/85/42/1069018542.db2.gz CZUXRXKYRSHBCP-UHFFFAOYSA-N 2 2 493.612 0.669 20 0 JCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)c2)CC1 ZINC000516741717 1069017917 /nfs/dbraw/zinc/01/79/17/1069017917.db2.gz MKNOVUXNJHMSND-UHFFFAOYSA-N 2 2 465.602 0.836 20 0 JCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCC[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000516742000 1069018642 /nfs/dbraw/zinc/01/86/42/1069018642.db2.gz ZXPATUXJXZBSTL-UHFFFAOYSA-N 2 2 458.607 0.466 20 0 JCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)c2)CC1 ZINC000516743628 1069018304 /nfs/dbraw/zinc/01/83/04/1069018304.db2.gz CMZLWPLEKWBKID-UHFFFAOYSA-N 2 2 480.617 0.491 20 0 JCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000516744200 1069024123 /nfs/dbraw/zinc/02/41/23/1069024123.db2.gz DEHPLOIMPCVCNK-UHFFFAOYSA-N 2 2 458.607 0.479 20 0 JCADLP C[NH+](C)CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517092409 1069047037 /nfs/dbraw/zinc/04/70/37/1069047037.db2.gz XGYXUPQKBITCAK-UHFFFAOYSA-N 2 2 461.588 0.904 20 0 JCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517103421 1069049753 /nfs/dbraw/zinc/04/97/53/1069049753.db2.gz HFVJHSOZZGSBKY-UHFFFAOYSA-N 2 2 467.636 0.875 20 0 JCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517103421 1069049750 /nfs/dbraw/zinc/04/97/50/1069049750.db2.gz HFVJHSOZZGSBKY-UHFFFAOYSA-N 2 2 467.636 0.875 20 0 JCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000517145113 1069067087 /nfs/dbraw/zinc/06/70/87/1069067087.db2.gz LUNOKZQBOMXGOK-UHFFFAOYSA-N 2 2 479.593 0.587 20 0 JCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000517146219 1069068459 /nfs/dbraw/zinc/06/84/59/1069068459.db2.gz DZVUOUWPBUCYNS-UHFFFAOYSA-N 2 2 452.519 0.591 20 0 JCADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000517544022 1069123357 /nfs/dbraw/zinc/12/33/57/1069123357.db2.gz SFMUXIHKBKYQDN-KDURUIRLSA-N 2 2 458.673 0.562 20 0 JCADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000517544022 1069123353 /nfs/dbraw/zinc/12/33/53/1069123353.db2.gz SFMUXIHKBKYQDN-KDURUIRLSA-N 2 2 458.673 0.562 20 0 JCADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000517544023 1069123217 /nfs/dbraw/zinc/12/32/17/1069123217.db2.gz SFMUXIHKBKYQDN-OALUTQOASA-N 2 2 458.673 0.562 20 0 JCADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000517544024 1069123162 /nfs/dbraw/zinc/12/31/62/1069123162.db2.gz SFMUXIHKBKYQDN-RTBURBONSA-N 2 2 458.673 0.562 20 0 JCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000517811393 1069140276 /nfs/dbraw/zinc/14/02/76/1069140276.db2.gz BIUFRMZHVZCAGA-DHIUTWEWSA-N 2 2 484.645 0.623 20 0 JCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000517811395 1069140294 /nfs/dbraw/zinc/14/02/94/1069140294.db2.gz BIUFRMZHVZCAGA-GOTSBHOMSA-N 2 2 484.645 0.623 20 0 JCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000517811399 1069140210 /nfs/dbraw/zinc/14/02/10/1069140210.db2.gz BIUFRMZHVZCAGA-PKTZIBPZSA-N 2 2 484.645 0.623 20 0 JCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000517811401 1069140316 /nfs/dbraw/zinc/14/03/16/1069140316.db2.gz BIUFRMZHVZCAGA-XZOQPEGZSA-N 2 2 484.645 0.623 20 0 JCADLP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000517814074 1069137658 /nfs/dbraw/zinc/13/76/58/1069137658.db2.gz JHXXLRMXIDRZDG-MOPGFXCFSA-N 2 2 461.582 0.935 20 0 JCADLP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000517814075 1069137755 /nfs/dbraw/zinc/13/77/55/1069137755.db2.gz JHXXLRMXIDRZDG-OALUTQOASA-N 2 2 461.582 0.935 20 0 JCADLP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000517814077 1069137883 /nfs/dbraw/zinc/13/78/83/1069137883.db2.gz JHXXLRMXIDRZDG-RBUKOAKNSA-N 2 2 461.582 0.935 20 0 JCADLP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000517814078 1069137870 /nfs/dbraw/zinc/13/78/70/1069137870.db2.gz JHXXLRMXIDRZDG-RTBURBONSA-N 2 2 461.582 0.935 20 0 JCADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cn2)CC1 ZINC000517854614 1069149502 /nfs/dbraw/zinc/14/95/02/1069149502.db2.gz WKLDRVKARYKNHU-UHFFFAOYSA-N 2 2 493.612 0.866 20 0 JCADLP CC(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCCC1 ZINC000517918135 1069163259 /nfs/dbraw/zinc/16/32/59/1069163259.db2.gz YQIDHHVLPCIHOR-IBGZPJMESA-N 2 2 452.625 0.953 20 0 JCADLP CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCCC1 ZINC000517918137 1069163230 /nfs/dbraw/zinc/16/32/30/1069163230.db2.gz 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JLEJQKJNTYCERG-UHFFFAOYSA-N 2 2 484.645 0.775 20 0 JCADLP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000518356632 1069247921 /nfs/dbraw/zinc/24/79/21/1069247921.db2.gz ZEIKGJHENXDHMS-UHFFFAOYSA-N 2 2 496.678 0.727 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000518591884 1069266431 /nfs/dbraw/zinc/26/64/31/1069266431.db2.gz BIJYYVWRTYRFAD-UHFFFAOYSA-N 2 2 494.600 0.131 20 0 JCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000518594114 1069266513 /nfs/dbraw/zinc/26/65/13/1069266513.db2.gz OHYRAPJISOHTGI-UHFFFAOYSA-N 2 2 482.651 0.722 20 0 JCADLP O=C(CN1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000518827314 1069298889 /nfs/dbraw/zinc/29/88/89/1069298889.db2.gz ZPJHHJWVYAXSPV-UHFFFAOYSA-N 3 2 460.667 0.480 20 0 JCADLP O=C(CN1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000518827314 1069298876 /nfs/dbraw/zinc/29/88/76/1069298876.db2.gz 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NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)C1 ZINC000594617772 1070728404 /nfs/dbraw/zinc/72/84/04/1070728404.db2.gz QUYPHSFBUMUPIO-YADHBBJMSA-N 2 2 471.602 0.181 20 0 JCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)C1 ZINC000594617772 1070728392 /nfs/dbraw/zinc/72/83/92/1070728392.db2.gz QUYPHSFBUMUPIO-YADHBBJMSA-N 2 2 471.602 0.181 20 0 JCADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000594966652 1070734570 /nfs/dbraw/zinc/73/45/70/1070734570.db2.gz RXRSEXAEPNWWCJ-NRFANRHFSA-N 2 2 493.678 0.345 20 0 JCADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000594966652 1070734555 /nfs/dbraw/zinc/73/45/55/1070734555.db2.gz RXRSEXAEPNWWCJ-NRFANRHFSA-N 2 2 493.678 0.345 20 0 JCADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000594966653 1070734863 /nfs/dbraw/zinc/73/48/63/1070734863.db2.gz RXRSEXAEPNWWCJ-OAQYLSRUSA-N 2 2 493.678 0.345 20 0 JCADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000594966653 1070734857 /nfs/dbraw/zinc/73/48/57/1070734857.db2.gz RXRSEXAEPNWWCJ-OAQYLSRUSA-N 2 2 493.678 0.345 20 0 JCADLP CCOC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CCC(C(=O)OCC)CC3)CC2)CC1 ZINC000603781200 1067697993 /nfs/dbraw/zinc/69/79/93/1067697993.db2.gz IQIFBTWLWSCBNL-UHFFFAOYSA-N 2 2 480.606 0.207 20 0 JCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC000603781729 1067697332 /nfs/dbraw/zinc/69/73/32/1067697332.db2.gz UFIVHOROWUGVFB-BGYRXZFFSA-N 2 2 480.606 0.207 20 0 JCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC000603781729 1067697326 /nfs/dbraw/zinc/69/73/26/1067697326.db2.gz UFIVHOROWUGVFB-BGYRXZFFSA-N 2 2 480.606 0.207 20 0 JCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC000603781729 1067697312 /nfs/dbraw/zinc/69/73/12/1067697312.db2.gz UFIVHOROWUGVFB-BGYRXZFFSA-N 2 2 480.606 0.207 20 0 JCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C(=O)OCC)C3)CC2)C1 ZINC000603781729 1067697307 /nfs/dbraw/zinc/69/73/07/1067697307.db2.gz UFIVHOROWUGVFB-BGYRXZFFSA-N 2 2 480.606 0.207 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000607949009 1067754579 /nfs/dbraw/zinc/75/45/79/1067754579.db2.gz MBBCNVCAPOANGX-UHFFFAOYSA-N 2 2 460.000 0.625 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000607949009 1067754573 /nfs/dbraw/zinc/75/45/73/1067754573.db2.gz MBBCNVCAPOANGX-UHFFFAOYSA-N 2 2 460.000 0.625 20 0 JCADLP COc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[NH+]2CCCC2)cc1 ZINC000611638464 1067819858 /nfs/dbraw/zinc/81/98/58/1067819858.db2.gz JYYGMFAYKCUHFF-JOCHJYFZSA-N 2 2 494.662 0.652 20 0 JCADLP COc1ccc([C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[NH+]2CCCC2)cc1 ZINC000611638474 1067820100 /nfs/dbraw/zinc/82/01/00/1067820100.db2.gz JYYGMFAYKCUHFF-QFIPXVFZSA-N 2 2 494.662 0.652 20 0 JCADLP COc1ccccc1[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCC1 ZINC000611666131 1067821767 /nfs/dbraw/zinc/82/17/67/1067821767.db2.gz PPDRKFQHPJJRLX-NRFANRHFSA-N 2 2 494.662 0.652 20 0 JCADLP COc1ccccc1[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCC1 ZINC000611666133 1067821687 /nfs/dbraw/zinc/82/16/87/1067821687.db2.gz PPDRKFQHPJJRLX-OAQYLSRUSA-N 2 2 494.662 0.652 20 0 JCADLP COc1ccccc1[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000611666172 1067821487 /nfs/dbraw/zinc/82/14/87/1067821487.db2.gz QOPNFXCDRREXKS-IBGZPJMESA-N 2 2 468.624 0.117 20 0 JCADLP COc1ccccc1[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000611666185 1067821798 /nfs/dbraw/zinc/82/17/98/1067821798.db2.gz QOPNFXCDRREXKS-LJQANCHMSA-N 2 2 468.624 0.117 20 0 JCADLP COc1cccc([C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[NH+](C)C)c1 ZINC000611669382 1067822331 /nfs/dbraw/zinc/82/23/31/1067822331.db2.gz PKFJUBJYBQDZKG-FQEVSTJZSA-N 2 2 468.624 0.117 20 0 JCADLP COc1cccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[NH+](C)C)c1 ZINC000611669383 1067822568 /nfs/dbraw/zinc/82/25/68/1067822568.db2.gz PKFJUBJYBQDZKG-HXUWFJFHSA-N 2 2 468.624 0.117 20 0 JCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000611676065 1067822092 /nfs/dbraw/zinc/82/20/92/1067822092.db2.gz ZDESMFIPYLRYIR-UHFFFAOYSA-N 2 2 456.635 1.000 20 0 JCADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000612207507 1067875977 /nfs/dbraw/zinc/87/59/77/1067875977.db2.gz JMCUOYNFCBVAKX-UHFFFAOYSA-N 2 2 466.652 0.848 20 0 JCADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000612210476 1067876519 /nfs/dbraw/zinc/87/65/19/1067876519.db2.gz MGZXXOZFIQYNMB-UHFFFAOYSA-N 2 2 466.652 0.848 20 0 JCADLP CC[NH+](CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccc(OC)c1 ZINC000612255047 1067879315 /nfs/dbraw/zinc/87/93/15/1067879315.db2.gz QRMRJIKAWQRPKT-JOCHJYFZSA-N 2 2 496.678 0.898 20 0 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C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000613417030 1067913242 /nfs/dbraw/zinc/91/32/42/1067913242.db2.gz AMSZAGOMQCCYPE-NRFANRHFSA-N 2 2 478.663 0.002 20 0 JCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000613417035 1067913173 /nfs/dbraw/zinc/91/31/73/1067913173.db2.gz AMSZAGOMQCCYPE-OAQYLSRUSA-N 2 2 478.663 0.002 20 0 JCADLP Cc1cc(N2CCN(C(=O)C[NH+]3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000613437231 1067914163 /nfs/dbraw/zinc/91/41/63/1067914163.db2.gz DSOAMJWWEIYRRC-UHFFFAOYSA-N 2 2 499.660 0.993 20 0 JCADLP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000613440880 1067914669 /nfs/dbraw/zinc/91/46/69/1067914669.db2.gz CMIBISNQQFVZDG-UHFFFAOYSA-N 2 2 480.631 0.999 20 0 JCADLP Cn1ncc2c1ncnc2N1CC[NH+](C/C=C\C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000613557520 1067925458 /nfs/dbraw/zinc/92/54/58/1067925458.db2.gz XYPSOMHOOMKPJK-ARJAWSKDSA-N 2 2 488.604 0.540 20 0 JCADLP Cn1ncc2c1ncnc2N1CC[NH+](C/C=C/C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000613557521 1067925540 /nfs/dbraw/zinc/92/55/40/1067925540.db2.gz XYPSOMHOOMKPJK-ONEGZZNKSA-N 2 2 488.604 0.540 20 0 JCADLP O=C(CN1CCC[NH+](C/C=C/CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1)N1CCCC1 ZINC000613594416 1067931447 /nfs/dbraw/zinc/93/14/47/1067931447.db2.gz GLXILYDFUUSFKM-OWOJBTEDSA-N 2 2 474.694 0.803 20 0 JCADLP O=C(CN1CCC[NH+](C/C=C/CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1)N1CCCC1 ZINC000613594416 1067931441 /nfs/dbraw/zinc/93/14/41/1067931441.db2.gz GLXILYDFUUSFKM-OWOJBTEDSA-N 2 2 474.694 0.803 20 0 JCADLP O=C(CN1CCC[N@@H+](C/C=C/CN2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1)N1CCCC1 ZINC000613594416 1067931434 /nfs/dbraw/zinc/93/14/34/1067931434.db2.gz GLXILYDFUUSFKM-OWOJBTEDSA-N 2 2 474.694 0.803 20 0 JCADLP O=C(CN1CCC[N@H+](C/C=C/CN2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1)N1CCCC1 ZINC000613594416 1067931420 /nfs/dbraw/zinc/93/14/20/1067931420.db2.gz GLXILYDFUUSFKM-OWOJBTEDSA-N 2 2 474.694 0.803 20 0 JCADLP 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C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000615729492 1068990111 /nfs/dbraw/zinc/99/01/11/1068990111.db2.gz QCVKEZVNKOGXMR-UHFFFAOYSA-N 2 2 460.579 0.311 20 0 JCADLP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616005689 1069000604 /nfs/dbraw/zinc/00/06/04/1069000604.db2.gz VHFCBPLIFTYJRH-UHFFFAOYSA-N 2 2 452.607 0.716 20 0 JCADLP CC[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)cn2)CC1 ZINC000616072448 1069004922 /nfs/dbraw/zinc/00/49/22/1069004922.db2.gz HVLASJCAHJVBJW-UHFFFAOYSA-N 2 2 453.595 0.635 20 0 JCADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000616088595 1069005162 /nfs/dbraw/zinc/00/51/62/1069005162.db2.gz WNQNYACQLDYMPM-UHFFFAOYSA-N 2 2 487.630 0.892 20 0 JCADLP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616135223 1069008421 /nfs/dbraw/zinc/00/84/21/1069008421.db2.gz ZITSZFGTGHUEIC-UHFFFAOYSA-N 2 2 472.638 0.622 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2)CC1 ZINC000616307884 1069019607 /nfs/dbraw/zinc/01/96/07/1069019607.db2.gz BHXUNDTYMZZBJJ-UHFFFAOYSA-N 2 2 493.612 0.405 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2)CC1 ZINC000616313609 1069020822 /nfs/dbraw/zinc/02/08/22/1069020822.db2.gz ARGQOZQRUYEVIF-UHFFFAOYSA-N 2 2 458.607 0.084 20 0 JCADLP C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000616313812 1069020713 /nfs/dbraw/zinc/02/07/13/1069020713.db2.gz MMOXQNKFUIKCNR-UHFFFAOYSA-N 2 2 492.596 0.567 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000616315114 1069020724 /nfs/dbraw/zinc/02/07/24/1069020724.db2.gz UKZDZLWGSJTHAJ-JOCHJYFZSA-N 2 2 472.634 0.330 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000616315115 1069020639 /nfs/dbraw/zinc/02/06/39/1069020639.db2.gz UKZDZLWGSJTHAJ-QFIPXVFZSA-N 2 2 472.634 0.330 20 0 JCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+]1CCN(C)CC1 ZINC000616316099 1067658332 /nfs/dbraw/zinc/65/83/32/1067658332.db2.gz QCBIAWXTDAXUJE-JOCHJYFZSA-N 2 2 472.634 0.711 20 0 JCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+]1CCN(C)CC1 ZINC000616316100 1069021464 /nfs/dbraw/zinc/02/14/64/1069021464.db2.gz QCBIAWXTDAXUJE-QFIPXVFZSA-N 2 2 472.634 0.711 20 0 JCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000616320022 1069024371 /nfs/dbraw/zinc/02/43/71/1069024371.db2.gz ZNQWFXNOZZMFHN-UHFFFAOYSA-N 2 2 481.601 0.618 20 0 JCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000616333980 1069022479 /nfs/dbraw/zinc/02/24/79/1069022479.db2.gz BNQPPMYDMUJJKQ-UHFFFAOYSA-N 2 2 492.596 0.567 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2)CC1 ZINC000616342536 1069023748 /nfs/dbraw/zinc/02/37/48/1069023748.db2.gz BSDPNWINSJWHTD-UHFFFAOYSA-N 2 2 493.612 0.405 20 0 JCADLP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000616366271 1067646013 /nfs/dbraw/zinc/64/60/13/1067646013.db2.gz CDSOQLRLOZMABA-GOSISDBHSA-N 2 2 492.596 0.567 20 0 JCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000616366275 1067645908 /nfs/dbraw/zinc/64/59/08/1067645908.db2.gz CDSOQLRLOZMABA-SFHVURJKSA-N 2 2 492.596 0.567 20 0 JCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000616374761 1069026568 /nfs/dbraw/zinc/02/65/68/1069026568.db2.gz VOTFHTOZBTYWNC-UHFFFAOYSA-N 2 2 458.607 0.085 20 0 JCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000616399988 1069030855 /nfs/dbraw/zinc/03/08/55/1069030855.db2.gz FXRHDPGVUNINBF-UHFFFAOYSA-N 2 2 486.617 0.048 20 0 JCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000616400061 1069030589 /nfs/dbraw/zinc/03/05/89/1069030589.db2.gz OOEDRBZIJOPMCL-UHFFFAOYSA-N 2 2 459.591 0.607 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)CC1 ZINC000616400095 1069030764 /nfs/dbraw/zinc/03/07/64/1069030764.db2.gz SRRJYNNOAPMQPN-INIZCTEOSA-N 2 2 490.580 0.904 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)CC1 ZINC000616400095 1069030755 /nfs/dbraw/zinc/03/07/55/1069030755.db2.gz SRRJYNNOAPMQPN-INIZCTEOSA-N 2 2 490.580 0.904 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)CC1 ZINC000616400096 1069030801 /nfs/dbraw/zinc/03/08/01/1069030801.db2.gz SRRJYNNOAPMQPN-MRXNPFEDSA-N 2 2 490.580 0.904 20 0 JCADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)CC1 ZINC000616400096 1069030797 /nfs/dbraw/zinc/03/07/97/1069030797.db2.gz SRRJYNNOAPMQPN-MRXNPFEDSA-N 2 2 490.580 0.904 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000616719793 1069052939 /nfs/dbraw/zinc/05/29/39/1069052939.db2.gz MFYIMALUYSWOTK-UHFFFAOYSA-N 2 2 494.662 0.572 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000616833461 1069072473 /nfs/dbraw/zinc/07/24/73/1069072473.db2.gz IYCQANZRVJNWAJ-UHFFFAOYSA-N 2 2 456.591 0.253 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000617527277 1069123601 /nfs/dbraw/zinc/12/36/01/1069123601.db2.gz VHCJJDUFDCXYSM-IBGZPJMESA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000617527277 1069123591 /nfs/dbraw/zinc/12/35/91/1069123591.db2.gz VHCJJDUFDCXYSM-IBGZPJMESA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000617527278 1069123270 /nfs/dbraw/zinc/12/32/70/1069123270.db2.gz VHCJJDUFDCXYSM-LJQANCHMSA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000617527278 1069123265 /nfs/dbraw/zinc/12/32/65/1069123265.db2.gz VHCJJDUFDCXYSM-LJQANCHMSA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000617529047 1069124219 /nfs/dbraw/zinc/12/42/19/1069124219.db2.gz MHHGJIZGXMKRMZ-JOCHJYFZSA-N 2 2 471.602 0.655 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000617529047 1069124214 /nfs/dbraw/zinc/12/42/14/1069124214.db2.gz MHHGJIZGXMKRMZ-JOCHJYFZSA-N 2 2 471.602 0.655 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000617529048 1069124439 /nfs/dbraw/zinc/12/44/39/1069124439.db2.gz MHHGJIZGXMKRMZ-QFIPXVFZSA-N 2 2 471.602 0.655 20 0 JCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000617529048 1069124436 /nfs/dbraw/zinc/12/44/36/1069124436.db2.gz MHHGJIZGXMKRMZ-QFIPXVFZSA-N 2 2 471.602 0.655 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000617590439 1069125818 /nfs/dbraw/zinc/12/58/18/1069125818.db2.gz QKZIGXWSIKGXLM-UHFFFAOYSA-N 2 2 457.575 0.584 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000617886145 1069141931 /nfs/dbraw/zinc/14/19/31/1069141931.db2.gz UUQYEMBNCWWCEZ-GOSISDBHSA-N 2 2 494.662 0.618 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617886145 1069141927 /nfs/dbraw/zinc/14/19/27/1069141927.db2.gz UUQYEMBNCWWCEZ-GOSISDBHSA-N 2 2 494.662 0.618 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000617886146 1069141959 /nfs/dbraw/zinc/14/19/59/1069141959.db2.gz UUQYEMBNCWWCEZ-SFHVURJKSA-N 2 2 494.662 0.618 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617886146 1069141958 /nfs/dbraw/zinc/14/19/58/1069141958.db2.gz UUQYEMBNCWWCEZ-SFHVURJKSA-N 2 2 494.662 0.618 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000619807610 1069162542 /nfs/dbraw/zinc/16/25/42/1069162542.db2.gz NHSGXZIBXOFXSB-NRFANRHFSA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000619807610 1069162537 /nfs/dbraw/zinc/16/25/37/1069162537.db2.gz NHSGXZIBXOFXSB-NRFANRHFSA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000619807611 1069162508 /nfs/dbraw/zinc/16/25/08/1069162508.db2.gz NHSGXZIBXOFXSB-OAQYLSRUSA-N 2 2 457.575 0.726 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000619807611 1069162501 /nfs/dbraw/zinc/16/25/01/1069162501.db2.gz NHSGXZIBXOFXSB-OAQYLSRUSA-N 2 2 457.575 0.726 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000620829243 1069197730 /nfs/dbraw/zinc/19/77/30/1069197730.db2.gz VOSFAODWYSSNBY-HDICACEKSA-N 2 2 475.590 0.637 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000620829243 1069197729 /nfs/dbraw/zinc/19/77/29/1069197729.db2.gz VOSFAODWYSSNBY-HDICACEKSA-N 2 2 475.590 0.637 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000620829244 1069197661 /nfs/dbraw/zinc/19/76/61/1069197661.db2.gz VOSFAODWYSSNBY-QZTJIDSGSA-N 2 2 475.590 0.637 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000620829245 1069197676 /nfs/dbraw/zinc/19/76/76/1069197676.db2.gz VOSFAODWYSSNBY-ROUUACIJSA-N 2 2 475.590 0.637 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000620829290 1069197539 /nfs/dbraw/zinc/19/75/39/1069197539.db2.gz ZZKXLJGCELTCII-UHFFFAOYSA-N 2 2 474.606 0.164 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000620832765 1069198436 /nfs/dbraw/zinc/19/84/36/1069198436.db2.gz YHIVAQQONUHBEV-FQEVSTJZSA-N 2 2 487.601 0.735 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000620832765 1069198431 /nfs/dbraw/zinc/19/84/31/1069198431.db2.gz YHIVAQQONUHBEV-FQEVSTJZSA-N 2 2 487.601 0.735 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000620832766 1069198530 /nfs/dbraw/zinc/19/85/30/1069198530.db2.gz YHIVAQQONUHBEV-HXUWFJFHSA-N 2 2 487.601 0.735 20 0 JCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000620832766 1069198529 /nfs/dbraw/zinc/19/85/29/1069198529.db2.gz YHIVAQQONUHBEV-HXUWFJFHSA-N 2 2 487.601 0.735 20 0 JCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000620837879 1069200384 /nfs/dbraw/zinc/20/03/84/1069200384.db2.gz UGPJUUNTVHGGPH-UHFFFAOYSA-N 2 2 479.585 0.476 20 0 JCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000621016946 1069204036 /nfs/dbraw/zinc/20/40/36/1069204036.db2.gz FBVOFIVVXLEJSH-UHFFFAOYSA-N 2 2 458.607 0.547 20 0 JCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2)CC1 ZINC000621017008 1069205106 /nfs/dbraw/zinc/20/51/06/1069205106.db2.gz LEBKPSKZZLEZSW-UHFFFAOYSA-N 2 2 493.612 0.866 20 0 JCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)cc2)CC1 ZINC000621017029 1069204819 /nfs/dbraw/zinc/20/48/19/1069204819.db2.gz NBEXJOMSINCEHE-UHFFFAOYSA-N 2 2 458.607 0.545 20 0 JCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2)CC1 ZINC000621017174 1069205579 /nfs/dbraw/zinc/20/55/79/1069205579.db2.gz AJAYPPPGTJBPKU-NRFANRHFSA-N 2 2 459.591 0.876 20 0 JCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2)CC1 ZINC000621017174 1069205570 /nfs/dbraw/zinc/20/55/70/1069205570.db2.gz AJAYPPPGTJBPKU-NRFANRHFSA-N 2 2 459.591 0.876 20 0 JCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2)CC1 ZINC000621017175 1069205725 /nfs/dbraw/zinc/20/57/25/1069205725.db2.gz AJAYPPPGTJBPKU-OAQYLSRUSA-N 2 2 459.591 0.876 20 0 JCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2)CC1 ZINC000621017175 1069205717 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C[NH+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc2)CC1 ZINC000918413335 1068438529 /nfs/dbraw/zinc/43/85/29/1068438529.db2.gz PQQYDLBHNBMOLM-UHFFFAOYSA-N 2 2 470.618 0.924 20 0 JCADLP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[NH+](CC(=O)N4CCCC4)CC3)cc2)CC1 ZINC000918413335 1068438523 /nfs/dbraw/zinc/43/85/23/1068438523.db2.gz PQQYDLBHNBMOLM-UHFFFAOYSA-N 2 2 470.618 0.924 20 0 JCADLP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[NH+](CC(=O)N4CCCC4)CC3)cc2)CC1 ZINC000918413335 1068438516 /nfs/dbraw/zinc/43/85/16/1068438516.db2.gz PQQYDLBHNBMOLM-UHFFFAOYSA-N 2 2 470.618 0.924 20 0 JCADLP NC(=O)C1CCN(C(=O)C2CC[NH+](CC(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)CC1 ZINC001115848042 1071237332 /nfs/dbraw/zinc/23/73/32/1071237332.db2.gz QBPXWHHMMCNZFP-UHFFFAOYSA-N 2 2 485.629 0.571 20 0 JCADLP CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001136491162 1070342697 /nfs/dbraw/zinc/34/26/97/1070342697.db2.gz HJXAQVKSHRGMSM-UHFFFAOYSA-N 2 2 450.605 0.837 20 0 JCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3C[NH+](C4CCOCC4)C3)cc2)CC1 ZINC001136575712 1070350082 /nfs/dbraw/zinc/35/00/82/1070350082.db2.gz HUAUHDSRSWOAKB-UHFFFAOYSA-N 2 2 458.603 0.999 20 0 JCADLP CN(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638609 1070355432 /nfs/dbraw/zinc/35/54/32/1070355432.db2.gz GICBKOKHTLQXGR-UHFFFAOYSA-N 2 2 451.593 0.369 20 0 JCADLP CN(C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638646 1070355616 /nfs/dbraw/zinc/35/56/16/1070355616.db2.gz HPUNVOLROHHBQK-GQCTYLIASA-N 2 2 455.559 0.728 20 0 JCADLP CN(C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638647 1070355267 /nfs/dbraw/zinc/35/52/67/1070355267.db2.gz HPUNVOLROHHBQK-XQRVVYSFSA-N 2 2 455.559 0.728 20 0 JCADLP CCn1c2ccccc2n(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1=O ZINC001136638662 1070356010 /nfs/dbraw/zinc/35/60/10/1070356010.db2.gz IGSYEZPSLJLJIS-UHFFFAOYSA-N 2 2 456.591 0.520 20 0 JCADLP CN(C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638727 1070356554 /nfs/dbraw/zinc/35/65/54/1070356554.db2.gz KDIWNSBCBZEPPB-GOSISDBHSA-N 2 2 451.568 0.170 20 0 JCADLP CN(C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638728 1070356060 /nfs/dbraw/zinc/35/60/60/1070356060.db2.gz KDIWNSBCBZEPPB-SFHVURJKSA-N 2 2 451.568 0.170 20 0 JCADLP Cc1c(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)nnn1-c1ccccc1 ZINC001136638743 1070356112 /nfs/dbraw/zinc/35/61/12/1070356112.db2.gz KQZJAXHFTDYNGE-UHFFFAOYSA-N 2 2 453.591 0.815 20 0 JCADLP CCS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001136638777 1070356336 /nfs/dbraw/zinc/35/63/36/1070356336.db2.gz MFCUXVSGIYPPCT-UHFFFAOYSA-N 2 2 450.605 0.791 20 0 JCADLP COCCNc1nc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC001136638849 1070356242 /nfs/dbraw/zinc/35/62/42/1070356242.db2.gz PAADZKVFCLPEMZ-UHFFFAOYSA-N 2 2 452.625 0.441 20 0 JCADLP CN(C(=O)Cn1cc(C(N)=O)c2ccccc21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638887 1070356441 /nfs/dbraw/zinc/35/64/41/1070356441.db2.gz QMUPMZXEVFFKLU-UHFFFAOYSA-N 2 2 454.575 0.437 20 0 JCADLP CN(C(=O)Cn1nc(-c2ccccc2)oc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638892 1070356293 /nfs/dbraw/zinc/35/62/93/1070356293.db2.gz QQPXQHVAXWAMHK-UHFFFAOYSA-N 2 2 456.547 0.200 20 0 JCADLP CN(C(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638985 1070356403 /nfs/dbraw/zinc/35/64/03/1070356403.db2.gz VRQPZTVSZAWFAT-HSZRJFAPSA-N 2 2 452.596 0.574 20 0 JCADLP CN(C(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638986 1070356506 /nfs/dbraw/zinc/35/65/06/1070356506.db2.gz VRQPZTVSZAWFAT-QHCPKHFHSA-N 2 2 452.596 0.574 20 0 JCADLP CN(C(=O)c1cnn(Cc2ccccc2)c1N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638996 1070356157 /nfs/dbraw/zinc/35/61/57/1070356157.db2.gz WIZINSIYYGAKFM-UHFFFAOYSA-N 2 2 453.591 0.824 20 0 JCADLP COCCN1C(=O)c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2S1(=O)=O ZINC001136649997 1070357975 /nfs/dbraw/zinc/35/79/75/1070357975.db2.gz LRKHZPZUSCDJAU-UHFFFAOYSA-N 2 2 452.577 0.576 20 0 JCADLP COCCN1C(=O)c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2S1(=O)=O ZINC001136649997 1070357960 /nfs/dbraw/zinc/35/79/60/1070357960.db2.gz LRKHZPZUSCDJAU-UHFFFAOYSA-N 2 2 452.577 0.576 20 0 JCADLP CC(=O)N[C@@](C)(C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001136650156 1070358088 /nfs/dbraw/zinc/35/80/88/1070358088.db2.gz QZVTXTGSVUFPEV-JOCHJYFZSA-N 2 2 452.621 0.926 20 0 JCADLP CC(=O)N[C@@](C)(C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001136650156 1070358073 /nfs/dbraw/zinc/35/80/73/1070358073.db2.gz QZVTXTGSVUFPEV-JOCHJYFZSA-N 2 2 452.621 0.926 20 0 JCADLP CC(=O)N[C@](C)(C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001136650157 1070358338 /nfs/dbraw/zinc/35/83/38/1070358338.db2.gz QZVTXTGSVUFPEV-QFIPXVFZSA-N 2 2 452.621 0.926 20 0 JCADLP CC(=O)N[C@](C)(C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001136650157 1070358319 /nfs/dbraw/zinc/35/83/19/1070358319.db2.gz QZVTXTGSVUFPEV-QFIPXVFZSA-N 2 2 452.621 0.926 20 0 JCADLP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC001136650394 1070358203 /nfs/dbraw/zinc/35/82/03/1070358203.db2.gz ZBTLALKWFJBTDG-UHFFFAOYSA-N 2 2 459.638 0.147 20 0 JCADLP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC001136650394 1070358185 /nfs/dbraw/zinc/35/81/85/1070358185.db2.gz ZBTLALKWFJBTDG-UHFFFAOYSA-N 2 2 459.638 0.147 20 0 JCADLP Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136725995 1070364888 /nfs/dbraw/zinc/36/48/88/1070364888.db2.gz JNQTYOAQCSJEBY-GOSISDBHSA-N 2 2 450.605 0.914 20 0 JCADLP Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136725995 1070364872 /nfs/dbraw/zinc/36/48/72/1070364872.db2.gz JNQTYOAQCSJEBY-GOSISDBHSA-N 2 2 450.605 0.914 20 0 JCADLP Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136725996 1070365061 /nfs/dbraw/zinc/36/50/61/1070365061.db2.gz JNQTYOAQCSJEBY-SFHVURJKSA-N 2 2 450.605 0.914 20 0 JCADLP Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136725996 1070365043 /nfs/dbraw/zinc/36/50/43/1070365043.db2.gz JNQTYOAQCSJEBY-SFHVURJKSA-N 2 2 450.605 0.914 20 0 JCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)C2)CC1 ZINC001136726411 1070364558 /nfs/dbraw/zinc/36/45/58/1070364558.db2.gz YSIKRIWYBCHBRZ-KRWDZBQOSA-N 2 2 454.568 0.745 20 0 JCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)C2)CC1 ZINC001136726411 1070364540 /nfs/dbraw/zinc/36/45/40/1070364540.db2.gz YSIKRIWYBCHBRZ-KRWDZBQOSA-N 2 2 454.568 0.745 20 0 JCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)C2)CC1 ZINC001136726412 1070364809 /nfs/dbraw/zinc/36/48/09/1070364809.db2.gz YSIKRIWYBCHBRZ-QGZVFWFLSA-N 2 2 454.568 0.745 20 0 JCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)C2)CC1 ZINC001136726412 1070364797 /nfs/dbraw/zinc/36/47/97/1070364797.db2.gz YSIKRIWYBCHBRZ-QGZVFWFLSA-N 2 2 454.568 0.745 20 0 JCADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001137043636 1070396102 /nfs/dbraw/zinc/39/61/02/1070396102.db2.gz ZSJXIVRBAMWGBD-IBGZPJMESA-N 2 2 459.591 0.956 20 0 JCADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001137043637 1070395892 /nfs/dbraw/zinc/39/58/92/1070395892.db2.gz ZSJXIVRBAMWGBD-LJQANCHMSA-N 2 2 459.591 0.956 20 0 JCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2ccnc(N4CCOCC4)c2)CC3)cn1 ZINC001137437274 1070867252 /nfs/dbraw/zinc/86/72/52/1070867252.db2.gz XUJIHAZSULRNSD-UHFFFAOYSA-N 2 2 450.547 0.837 20 0 JCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2ccnc(N4CCOCC4)c2)CC3)cn1 ZINC001137437274 1070867232 /nfs/dbraw/zinc/86/72/32/1070867232.db2.gz XUJIHAZSULRNSD-UHFFFAOYSA-N 2 2 450.547 0.837 20 0 JCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccnc(N3CCOCC3)c1)CC2 ZINC001137437277 1070867000 /nfs/dbraw/zinc/86/70/00/1070867000.db2.gz XVLQVWYKSIRINB-UHFFFAOYSA-N 2 2 450.547 0.837 20 0 JCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccnc(N3CCOCC3)c1)CC2 ZINC001137437277 1070866973 /nfs/dbraw/zinc/86/69/73/1070866973.db2.gz XVLQVWYKSIRINB-UHFFFAOYSA-N 2 2 450.547 0.837 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)Cn3cccnc3=O)nc2C(N)=O)[nH+]c1C ZINC001141957534 1069685670 /nfs/dbraw/zinc/68/56/70/1069685670.db2.gz DRERUXIYVQWOLT-DLBZAZTESA-N 2 2 491.556 0.805 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)Cn3nccn3)nc2C(N)=O)[nH+]c1C ZINC001142194339 1069889338 /nfs/dbraw/zinc/88/93/38/1069889338.db2.gz CEPVAAKZHQYDMC-JKSUJKDBSA-N 2 2 464.534 0.840 20 0 JCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001142586661 1070146985 /nfs/dbraw/zinc/14/69/85/1070146985.db2.gz GTJYJVFNFHPYNH-OALUTQOASA-N 2 2 479.576 0.776 20 0 JCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001142586661 1070146982 /nfs/dbraw/zinc/14/69/82/1070146982.db2.gz GTJYJVFNFHPYNH-OALUTQOASA-N 2 2 479.576 0.776 20 0 JCADLP O=C(CNS(=O)(=O)c1c(F)cccc1F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001142613374 1070165898 /nfs/dbraw/zinc/16/58/98/1070165898.db2.gz TUDMSVSGKAPRHH-UHFFFAOYSA-N 2 2 453.515 0.967 20 0 JCADLP CCS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1 ZINC001143707968 1070398750 /nfs/dbraw/zinc/39/87/50/1070398750.db2.gz FBUAQGUIEGAEJN-UHFFFAOYSA-N 2 2 464.632 0.720 20 0 JCADLP CCS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cc1 ZINC001143707968 1070398738 /nfs/dbraw/zinc/39/87/38/1070398738.db2.gz FBUAQGUIEGAEJN-UHFFFAOYSA-N 2 2 464.632 0.720 20 0 JCADLP CN(C(=O)CCN1C(=O)c2ccccc2C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144078623 1070413659 /nfs/dbraw/zinc/41/36/59/1070413659.db2.gz VKDJYRSEJPDEQJ-UHFFFAOYSA-N 2 2 455.559 0.370 20 0 JCADLP CN(C(=O)c1ccc(Br)[nH]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084236 1070414705 /nfs/dbraw/zinc/41/47/05/1070414705.db2.gz BVMWFWAUAHEWBK-UHFFFAOYSA-N 2 2 454.369 0.860 20 0 JCADLP CN(C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084454 1070414628 /nfs/dbraw/zinc/41/46/28/1070414628.db2.gz FTWNWKXHHCXICZ-HDICACEKSA-N 2 2 451.612 0.987 20 0 JCADLP CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085028 1070414771 /nfs/dbraw/zinc/41/47/71/1070414771.db2.gz OYBKRKVIBVRKRL-UHFFFAOYSA-N 2 2 451.612 0.940 20 0 JCADLP CN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085263 1070414648 /nfs/dbraw/zinc/41/46/48/1070414648.db2.gz PVXVBZHCKSLEBQ-IBGZPJMESA-N 2 2 456.591 0.127 20 0 JCADLP CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085264 1070414719 /nfs/dbraw/zinc/41/47/19/1070414719.db2.gz PVXVBZHCKSLEBQ-LJQANCHMSA-N 2 2 456.591 0.127 20 0 JCADLP CCOC(=O)C1(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC001144085346 1070414784 /nfs/dbraw/zinc/41/47/84/1070414784.db2.gz SBHKRSYAJQODHV-UHFFFAOYSA-N 2 2 452.596 0.433 20 0 JCADLP CN(C(=O)C[C@H](NC(N)=O)c1cccs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085390 1070414523 /nfs/dbraw/zinc/41/45/23/1070414523.db2.gz UMLREHDLSWUYAE-KRWDZBQOSA-N 2 2 450.609 0.544 20 0 JCADLP CN(C(=O)C[C@@H](NC(N)=O)c1cccs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085391 1070414689 /nfs/dbraw/zinc/41/46/89/1070414689.db2.gz UMLREHDLSWUYAE-QGZVFWFLSA-N 2 2 450.609 0.544 20 0 JCADLP CN(C(=O)c1ccc(=O)n(-c2ccccc2)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085435 1070414490 /nfs/dbraw/zinc/41/44/90/1070414490.db2.gz WBRFNOUMNUWGLT-UHFFFAOYSA-N 2 2 452.559 0.543 20 0 JCADLP CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085502 1070414735 /nfs/dbraw/zinc/41/47/35/1070414735.db2.gz YEXPOPYMJRAFTI-GOSISDBHSA-N 2 2 459.566 0.875 20 0 JCADLP CN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085503 1070414757 /nfs/dbraw/zinc/41/47/57/1070414757.db2.gz YEXPOPYMJRAFTI-SFHVURJKSA-N 2 2 459.566 0.875 20 0 JCADLP CNC(=O)/C=C/C(=O)n1nc(C(N)=O)c(Nc2ccc(C)c(C)[nH+]2)cc1=N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001144089796 1070413695 /nfs/dbraw/zinc/41/36/95/1070413695.db2.gz PSUMCGWBCOEXOB-OXNNPNECSA-N 2 2 466.546 0.850 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)CN(C)C(N)=[NH2+])nc2C(N)=O)[nH+]c1C ZINC001144144127 1070416469 /nfs/dbraw/zinc/41/64/69/1070416469.db2.gz XJECQKRFDMDGHG-LSDHHAIUSA-N 3 2 468.566 0.374 20 0 JCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001144203919 1070419544 /nfs/dbraw/zinc/41/95/44/1070419544.db2.gz HDLVPZOFMCCYOJ-GOSISDBHSA-N 2 2 454.641 0.912 20 0 JCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001144203919 1070419539 /nfs/dbraw/zinc/41/95/39/1070419539.db2.gz HDLVPZOFMCCYOJ-GOSISDBHSA-N 2 2 454.641 0.912 20 0 JCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001144203920 1070419603 /nfs/dbraw/zinc/41/96/03/1070419603.db2.gz HDLVPZOFMCCYOJ-SFHVURJKSA-N 2 2 454.641 0.912 20 0 JCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001144203920 1070419595 /nfs/dbraw/zinc/41/95/95/1070419595.db2.gz HDLVPZOFMCCYOJ-SFHVURJKSA-N 2 2 454.641 0.912 20 0 JCADLP Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)CC2)cn1C ZINC001144204236 1070419449 /nfs/dbraw/zinc/41/94/49/1070419449.db2.gz LBDYPBKGSNSGJG-UHFFFAOYSA-N 2 2 454.641 0.614 20 0 JCADLP Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)CC2)cn1C ZINC001144204236 1070419441 /nfs/dbraw/zinc/41/94/41/1070419441.db2.gz LBDYPBKGSNSGJG-UHFFFAOYSA-N 2 2 454.641 0.614 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3CC(=O)NC(=O)N3)nc2C(N)=O)[nH+]c1C ZINC001144338811 1070425647 /nfs/dbraw/zinc/42/56/47/1070425647.db2.gz KKWAAZRYPMDBAZ-LZWOXQAQSA-N 2 2 495.544 0.146 20 0 JCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001144932751 1070458254 /nfs/dbraw/zinc/45/82/54/1070458254.db2.gz FDGKZZGGCCJSRA-CTNGQTDRSA-N 2 2 457.575 0.773 20 0 JCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001144932752 1070458006 /nfs/dbraw/zinc/45/80/06/1070458006.db2.gz FDGKZZGGCCJSRA-FPOVZHCZSA-N 2 2 457.575 0.773 20 0 JCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001144932753 1070458373 /nfs/dbraw/zinc/45/83/73/1070458373.db2.gz FDGKZZGGCCJSRA-PZJWPPBQSA-N 2 2 457.575 0.773 20 0 JCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001144932754 1070458196 /nfs/dbraw/zinc/45/81/96/1070458196.db2.gz FDGKZZGGCCJSRA-TZIWHRDSSA-N 2 2 457.575 0.773 20 0 JCADLP Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001144947478 1070460663 /nfs/dbraw/zinc/46/06/63/1070460663.db2.gz HAISVHYXWLIYMW-GOSISDBHSA-N 2 2 453.609 0.977 20 0 JCADLP Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001144947478 1070460657 /nfs/dbraw/zinc/46/06/57/1070460657.db2.gz HAISVHYXWLIYMW-GOSISDBHSA-N 2 2 453.609 0.977 20 0 JCADLP Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001144947479 1070460469 /nfs/dbraw/zinc/46/04/69/1070460469.db2.gz HAISVHYXWLIYMW-SFHVURJKSA-N 2 2 453.609 0.977 20 0 JCADLP Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001144947479 1070460464 /nfs/dbraw/zinc/46/04/64/1070460464.db2.gz HAISVHYXWLIYMW-SFHVURJKSA-N 2 2 453.609 0.977 20 0 JCADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001144947721 1070460685 /nfs/dbraw/zinc/46/06/85/1070460685.db2.gz OFTXPQBIRMZGKX-IBGZPJMESA-N 2 2 450.605 0.914 20 0 JCADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001144947721 1070460680 /nfs/dbraw/zinc/46/06/80/1070460680.db2.gz OFTXPQBIRMZGKX-IBGZPJMESA-N 2 2 450.605 0.914 20 0 JCADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001144947722 1070460590 /nfs/dbraw/zinc/46/05/90/1070460590.db2.gz OFTXPQBIRMZGKX-LJQANCHMSA-N 2 2 450.605 0.914 20 0 JCADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001144947722 1070460582 /nfs/dbraw/zinc/46/05/82/1070460582.db2.gz OFTXPQBIRMZGKX-LJQANCHMSA-N 2 2 450.605 0.914 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CC2)C1=O ZINC001146273361 1070495233 /nfs/dbraw/zinc/49/52/33/1070495233.db2.gz FBALTWCYRKCYIW-QGZVFWFLSA-N 2 2 469.627 0.347 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CC2)C1=O ZINC001146273361 1070495225 /nfs/dbraw/zinc/49/52/25/1070495225.db2.gz FBALTWCYRKCYIW-QGZVFWFLSA-N 2 2 469.627 0.347 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001146285341 1070497100 /nfs/dbraw/zinc/49/71/00/1070497100.db2.gz DPOHSTBPDVBFMQ-KRWDZBQOSA-N 2 2 469.652 0.993 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001146285341 1070497091 /nfs/dbraw/zinc/49/70/91/1070497091.db2.gz DPOHSTBPDVBFMQ-KRWDZBQOSA-N 2 2 469.652 0.993 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001146300363 1070499274 /nfs/dbraw/zinc/49/92/74/1070499274.db2.gz RYPBMNFWJUZJAE-FQEVSTJZSA-N 2 2 453.609 0.738 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001146300363 1070499271 /nfs/dbraw/zinc/49/92/71/1070499271.db2.gz RYPBMNFWJUZJAE-FQEVSTJZSA-N 2 2 453.609 0.738 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001146300364 1070499294 /nfs/dbraw/zinc/49/92/94/1070499294.db2.gz RYPBMNFWJUZJAE-HXUWFJFHSA-N 2 2 453.609 0.738 20 0 JCADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001146300364 1070499290 /nfs/dbraw/zinc/49/92/90/1070499290.db2.gz RYPBMNFWJUZJAE-HXUWFJFHSA-N 2 2 453.609 0.738 20 0 JCADLP COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001146379317 1070501177 /nfs/dbraw/zinc/50/11/77/1070501177.db2.gz BXTKDIVPJCVGHB-GOSISDBHSA-N 2 2 497.637 0.530 20 0 JCADLP COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001146379317 1070501164 /nfs/dbraw/zinc/50/11/64/1070501164.db2.gz BXTKDIVPJCVGHB-GOSISDBHSA-N 2 2 497.637 0.530 20 0 JCADLP COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001146379318 1070501327 /nfs/dbraw/zinc/50/13/27/1070501327.db2.gz BXTKDIVPJCVGHB-SFHVURJKSA-N 2 2 497.637 0.530 20 0 JCADLP COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001146379318 1070501316 /nfs/dbraw/zinc/50/13/16/1070501316.db2.gz BXTKDIVPJCVGHB-SFHVURJKSA-N 2 2 497.637 0.530 20 0 JCADLP CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2)CC1 ZINC001146890221 1070530562 /nfs/dbraw/zinc/53/05/62/1070530562.db2.gz CBDFOLTULASLCK-UHFFFAOYSA-N 2 2 453.609 0.153 20 0 JCADLP CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2)CC1 ZINC001146890221 1070530552 /nfs/dbraw/zinc/53/05/52/1070530552.db2.gz CBDFOLTULASLCK-UHFFFAOYSA-N 2 2 453.609 0.153 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3ncnn3C)nc2C(N)=O)[nH+]c1C ZINC001147002199 1070533083 /nfs/dbraw/zinc/53/30/83/1070533083.db2.gz UOHPKHNOAQXSBZ-LSDHHAIUSA-N 2 2 464.534 0.725 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3c[nH]c(=O)cn3)nc2C(N)=O)[nH+]c1C ZINC001147629572 1070544369 /nfs/dbraw/zinc/54/43/69/1070544369.db2.gz CADQEYZFQUFRIY-LSDHHAIUSA-N 2 2 477.529 0.680 20 0 JCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147979421 1070555965 /nfs/dbraw/zinc/55/59/65/1070555965.db2.gz AFMYHZWBIUUUHH-PMACEKPBSA-N 2 2 453.547 0.260 20 0 JCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147979421 1070555955 /nfs/dbraw/zinc/55/59/55/1070555955.db2.gz AFMYHZWBIUUUHH-PMACEKPBSA-N 2 2 453.547 0.260 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=CN4C(=CC=C[C@H]4C(F)(F)F)N3)CC2)C1=O ZINC001148001842 1070556480 /nfs/dbraw/zinc/55/64/80/1070556480.db2.gz HVFNREYBWKTCGS-KRWDZBQOSA-N 2 2 468.524 0.772 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=CN4C(=CC=C[C@H]4C(F)(F)F)N3)CC2)C1=O ZINC001148001842 1070556473 /nfs/dbraw/zinc/55/64/73/1070556473.db2.gz HVFNREYBWKTCGS-KRWDZBQOSA-N 2 2 468.524 0.772 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=CN4C(=CC=C[C@@H]4C(F)(F)F)N3)CC2)C1=O ZINC001148001849 1070556449 /nfs/dbraw/zinc/55/64/49/1070556449.db2.gz HVFNREYBWKTCGS-QGZVFWFLSA-N 2 2 468.524 0.772 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=CN4C(=CC=C[C@@H]4C(F)(F)F)N3)CC2)C1=O ZINC001148001849 1070556438 /nfs/dbraw/zinc/55/64/38/1070556438.db2.gz HVFNREYBWKTCGS-QGZVFWFLSA-N 2 2 468.524 0.772 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)C1=O ZINC001148366454 1070571830 /nfs/dbraw/zinc/57/18/30/1070571830.db2.gz ALGMWQWFWGNEEF-UHFFFAOYSA-N 2 2 472.011 0.298 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)C1=O ZINC001148366454 1070571820 /nfs/dbraw/zinc/57/18/20/1070571820.db2.gz ALGMWQWFWGNEEF-UHFFFAOYSA-N 2 2 472.011 0.298 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CC2)C1=O ZINC001148888616 1070580867 /nfs/dbraw/zinc/58/08/67/1070580867.db2.gz CJYKHVYIGGIJOJ-UHFFFAOYSA-N 2 2 453.543 0.426 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)CC2)C1=O ZINC001148888616 1070580852 /nfs/dbraw/zinc/58/08/52/1070580852.db2.gz CJYKHVYIGGIJOJ-UHFFFAOYSA-N 2 2 453.543 0.426 20 0 JCADLP [NH3+][C@@H]1CCN(c2nc3cc(CN4CC[NH+]([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001156227365 1069934161 /nfs/dbraw/zinc/93/41/61/1069934161.db2.gz SRDYXTNEUARJEI-MSOLQXFVSA-N 2 2 473.647 0.972 20 0 JCADLP [NH3+][C@@H]1CCN(c2nc3cc(C[NH+]4CCN([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001156227365 1069934153 /nfs/dbraw/zinc/93/41/53/1069934153.db2.gz SRDYXTNEUARJEI-MSOLQXFVSA-N 2 2 473.647 0.972 20 0 JCADLP [NH3+][C@@H]1CCN(c2nc3cc(CN4CC[NH+]([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001156227366 1069934183 /nfs/dbraw/zinc/93/41/83/1069934183.db2.gz SRDYXTNEUARJEI-QZTJIDSGSA-N 2 2 473.647 0.972 20 0 JCADLP [NH3+][C@@H]1CCN(c2nc3cc(C[NH+]4CCN([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C1 ZINC001156227366 1069934178 /nfs/dbraw/zinc/93/41/78/1069934178.db2.gz SRDYXTNEUARJEI-QZTJIDSGSA-N 2 2 473.647 0.972 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391648 718824141 /nfs/dbraw/zinc/82/41/41/718824141.db2.gz WDGILMVMLHOVPD-AZUAARDMSA-N 2 2 473.647 0.842 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391651 718824098 /nfs/dbraw/zinc/82/40/98/718824098.db2.gz WDGILMVMLHOVPD-ICSRJNTNSA-N 2 2 473.647 0.842 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391653 718824057 /nfs/dbraw/zinc/82/40/57/718824057.db2.gz WDGILMVMLHOVPD-QUCCMNQESA-N 2 2 473.647 0.842 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164391655 718824247 /nfs/dbraw/zinc/82/42/47/718824247.db2.gz WDGILMVMLHOVPD-UYAOXDASSA-N 2 2 473.647 0.842 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CCN5CC[NH2+]C[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164401869 718838262 /nfs/dbraw/zinc/83/82/62/718838262.db2.gz BYRASJOVSOBHCA-GOSISDBHSA-N 2 2 472.663 0.369 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CCN5CC[NH2+]C[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164401876 718838119 /nfs/dbraw/zinc/83/81/19/718838119.db2.gz BYRASJOVSOBHCA-SFHVURJKSA-N 2 2 472.663 0.369 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4CCOCC45C[NH2+]C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164405454 718860506 /nfs/dbraw/zinc/86/05/06/718860506.db2.gz SCYXHMHNBZXHPH-UHFFFAOYSA-N 2 2 459.620 0.454 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5C[NH2+]C[C@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409536 718852662 /nfs/dbraw/zinc/85/26/62/718852662.db2.gz VOLARHSOEHAQPB-GAJHUEQPSA-N 2 2 473.647 0.293 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H]5C[NH2+]C[C@@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409539 718852891 /nfs/dbraw/zinc/85/28/91/718852891.db2.gz VOLARHSOEHAQPB-HXOBKFHXSA-N 2 2 473.647 0.293 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H]5C[NH2+]C[C@@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409541 718852645 /nfs/dbraw/zinc/85/26/45/718852645.db2.gz VOLARHSOEHAQPB-SBUREZEXSA-N 2 2 473.647 0.293 20 0 JCADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H]5C[NH2+]C[C@]5(CO)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164409543 718852828 /nfs/dbraw/zinc/85/28/28/718852828.db2.gz VOLARHSOEHAQPB-UZUQRXQVSA-N 2 2 473.647 0.293 20 0 JCADLP [NH3+][C@@H]1[C@H]2CN(c3nc4cc(CN5CC[NH+]([C@@H]6CCOC6)CC5)sc4c(N4CCOCC4)n3)C[C@H]21 ZINC001164440125 718985667 /nfs/dbraw/zinc/98/56/67/718985667.db2.gz JPVYGIIGACINAF-RBAQFSTRSA-N 2 2 485.658 0.828 20 0 JCADLP [NH3+][C@@H]1[C@H]2CN(c3nc4cc(C[NH+]5CCN([C@@H]6CCOC6)CC5)sc4c(N4CCOCC4)n3)C[C@H]21 ZINC001164440125 718985664 /nfs/dbraw/zinc/98/56/64/718985664.db2.gz JPVYGIIGACINAF-RBAQFSTRSA-N 2 2 485.658 0.828 20 0 JCADLP [NH3+][C@@H]1[C@H]2CN(c3nc4cc(CN5CC[NH+]([C@H]6CCOC6)CC5)sc4c(N4CCOCC4)n3)C[C@H]21 ZINC001164440128 718985646 /nfs/dbraw/zinc/98/56/46/718985646.db2.gz JPVYGIIGACINAF-XFIJJGBISA-N 2 2 485.658 0.828 20 0 JCADLP [NH3+][C@@H]1[C@H]2CN(c3nc4cc(C[NH+]5CCN([C@H]6CCOC6)CC5)sc4c(N4CCOCC4)n3)C[C@H]21 ZINC001164440128 718985638 /nfs/dbraw/zinc/98/56/38/718985638.db2.gz JPVYGIIGACINAF-XFIJJGBISA-N 2 2 485.658 0.828 20 0 JCADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)CC2)CC1 ZINC001164614183 719022897 /nfs/dbraw/zinc/02/28/97/719022897.db2.gz OUMGZNJOACDLCY-UHFFFAOYSA-N 2 2 489.621 0.789 20 0 JCADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164630336 719135306 /nfs/dbraw/zinc/13/53/06/719135306.db2.gz JATULVSXFABCRY-GOSISDBHSA-N 2 2 475.619 0.227 20 0 JCADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164630341 719135317 /nfs/dbraw/zinc/13/53/17/719135317.db2.gz JATULVSXFABCRY-SFHVURJKSA-N 2 2 475.619 0.227 20 0 JCADLP C[NH+]1CCN(c2cccc(N3CCCn4nnc(COCC(=O)N5CCCC5)c4C3)[nH+]2)CC1 ZINC001164634171 719259456 /nfs/dbraw/zinc/25/94/56/719259456.db2.gz FHRGYFWJJKCCAG-UHFFFAOYSA-N 2 2 454.579 0.974 20 0 JCADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@@H](C3)c3nc(N5CCOCC5)ncc3CS4(=O)=O)[nH+]2)CC1 ZINC001164655303 719296391 /nfs/dbraw/zinc/29/63/91/719296391.db2.gz SUHGHKKFZHZQHG-MOPGFXCFSA-N 2 2 485.614 0.361 20 0 JCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4c5nc(N6CCOCC6)ncc5CS(=O)(=O)[C@H]4C3)[nH+]2)CC1 ZINC001164655313 719296606 /nfs/dbraw/zinc/29/66/06/719296606.db2.gz SUHGHKKFZHZQHG-OALUTQOASA-N 2 2 485.614 0.361 20 0 JCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4c5nc(N6CCOCC6)ncc5CS(=O)(=O)[C@@H]4C3)[nH+]2)CC1 ZINC001164655317 719296494 /nfs/dbraw/zinc/29/64/94/719296494.db2.gz SUHGHKKFZHZQHG-RBUKOAKNSA-N 2 2 485.614 0.361 20 0 JCADLP C[NH+]1CCN(c2cccc(N3C[C@H]4c5nc(N6CCOCC6)ncc5CS(=O)(=O)[C@@H]4C3)[nH+]2)CC1 ZINC001164655322 719296440 /nfs/dbraw/zinc/29/64/40/719296440.db2.gz SUHGHKKFZHZQHG-RTBURBONSA-N 2 2 485.614 0.361 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5OCC[N@@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666076 719426365 /nfs/dbraw/zinc/42/63/65/719426365.db2.gz BBVWPTLMCCUOSW-PMACEKPBSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666076 719426359 /nfs/dbraw/zinc/42/63/59/719426359.db2.gz BBVWPTLMCCUOSW-PMACEKPBSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5[C@H](C4)OCC[N@H+]5C)nc(N4CCOCC4)c3s2)CC1 ZINC001164666077 719425988 /nfs/dbraw/zinc/42/59/88/719425988.db2.gz BBVWPTLMCCUOSW-UXHICEINSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)nc(N4CCOCC4)c3s2)CC1 ZINC001164666077 719425983 /nfs/dbraw/zinc/42/59/83/719425983.db2.gz BBVWPTLMCCUOSW-UXHICEINSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666078 719426893 /nfs/dbraw/zinc/42/68/93/719426893.db2.gz BBVWPTLMCCUOSW-VQTJNVASSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666078 719426892 /nfs/dbraw/zinc/42/68/92/719426892.db2.gz BBVWPTLMCCUOSW-VQTJNVASSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@@H+](C)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666079 719426160 /nfs/dbraw/zinc/42/61/60/719426160.db2.gz BBVWPTLMCCUOSW-WOJBJXKFSA-N 2 2 473.647 0.795 20 0 JCADLP C[NH+]1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666079 719426158 /nfs/dbraw/zinc/42/61/58/719426158.db2.gz BBVWPTLMCCUOSW-WOJBJXKFSA-N 2 2 473.647 0.795 20 0 JCADLP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686255 719610414 /nfs/dbraw/zinc/61/04/14/719610414.db2.gz ZNHVYCATVLICRN-UHFFFAOYSA-N 2 2 456.595 0.821 20 0 JCADLP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686255 719610401 /nfs/dbraw/zinc/61/04/01/719610401.db2.gz ZNHVYCATVLICRN-UHFFFAOYSA-N 2 2 456.595 0.821 20 0 JCADLP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686255 719610387 /nfs/dbraw/zinc/61/03/87/719610387.db2.gz ZNHVYCATVLICRN-UHFFFAOYSA-N 3 2 456.595 0.821 20 0 JCADLP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686255 719610362 /nfs/dbraw/zinc/61/03/62/719610362.db2.gz ZNHVYCATVLICRN-UHFFFAOYSA-N 3 2 456.595 0.821 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164708554 719935569 /nfs/dbraw/zinc/93/55/69/719935569.db2.gz KZCOVEJPVAXKDD-UHFFFAOYSA-N 2 2 454.579 0.539 20 0 JCADLP CCc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(N2CCOCC2)[nH+]1 ZINC001164708942 719914317 /nfs/dbraw/zinc/91/43/17/719914317.db2.gz NYYVBSZQKXFORP-UHFFFAOYSA-N 2 2 454.579 0.559 20 0 JCADLP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729278 720342784 /nfs/dbraw/zinc/34/27/84/720342784.db2.gz XTNRPQOUHXMGGG-PMACEKPBSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729278 720342777 /nfs/dbraw/zinc/34/27/77/720342777.db2.gz XTNRPQOUHXMGGG-PMACEKPBSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729281 720342927 /nfs/dbraw/zinc/34/29/27/720342927.db2.gz XTNRPQOUHXMGGG-UXHICEINSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729281 720342917 /nfs/dbraw/zinc/34/29/17/720342917.db2.gz XTNRPQOUHXMGGG-UXHICEINSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729282 720342609 /nfs/dbraw/zinc/34/26/09/720342609.db2.gz XTNRPQOUHXMGGG-VQTJNVASSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729282 720342605 /nfs/dbraw/zinc/34/26/05/720342605.db2.gz XTNRPQOUHXMGGG-VQTJNVASSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729283 720341890 /nfs/dbraw/zinc/34/18/90/720341890.db2.gz XTNRPQOUHXMGGG-WOJBJXKFSA-N 2 2 452.563 0.793 20 0 JCADLP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001164729283 720341879 /nfs/dbraw/zinc/34/18/79/720341879.db2.gz XTNRPQOUHXMGGG-WOJBJXKFSA-N 2 2 452.563 0.793 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744046 720854161 /nfs/dbraw/zinc/85/41/61/720854161.db2.gz BHXNRNFTKQSBJF-HAGHYFMRSA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744046 720854160 /nfs/dbraw/zinc/85/41/60/720854160.db2.gz BHXNRNFTKQSBJF-HAGHYFMRSA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744048 720854385 /nfs/dbraw/zinc/85/43/85/720854385.db2.gz BHXNRNFTKQSBJF-NMLBUPMWSA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744048 720854383 /nfs/dbraw/zinc/85/43/83/720854383.db2.gz BHXNRNFTKQSBJF-NMLBUPMWSA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744049 720853994 /nfs/dbraw/zinc/85/39/94/720853994.db2.gz BHXNRNFTKQSBJF-WCIQWLHISA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744049 720853993 /nfs/dbraw/zinc/85/39/93/720853993.db2.gz BHXNRNFTKQSBJF-WCIQWLHISA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744052 720854248 /nfs/dbraw/zinc/85/42/48/720854248.db2.gz BHXNRNFTKQSBJF-WTGUMLROSA-N 2 2 451.579 0.902 20 0 JCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164744052 720854246 /nfs/dbraw/zinc/85/42/46/720854246.db2.gz BHXNRNFTKQSBJF-WTGUMLROSA-N 2 2 451.579 0.902 20 0 JCADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)C1=O ZINC001164748488 720942851 /nfs/dbraw/zinc/94/28/51/720942851.db2.gz GGDVKMGSEFTGMW-HSZRJFAPSA-N 2 2 476.647 0.544 20 0 JCADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)C1=O ZINC001164748492 720943173 /nfs/dbraw/zinc/94/31/73/720943173.db2.gz GGDVKMGSEFTGMW-QHCPKHFHSA-N 2 2 476.647 0.544 20 0 JCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CC2 ZINC001164754795 720962634 /nfs/dbraw/zinc/96/26/34/720962634.db2.gz YEZPWAGSEUTWRL-UHFFFAOYSA-N 2 2 455.567 0.914 20 0 JCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CC2 ZINC001164754795 720962627 /nfs/dbraw/zinc/96/26/27/720962627.db2.gz YEZPWAGSEUTWRL-UHFFFAOYSA-N 2 2 455.567 0.914 20 0 JCADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001164806850 720079527 /nfs/dbraw/zinc/07/95/27/720079527.db2.gz DJPJKBTVNAXIMY-GBXCKJPGSA-N 2 2 473.622 0.730 20 0 JCADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001164806850 720079526 /nfs/dbraw/zinc/07/95/26/720079526.db2.gz DJPJKBTVNAXIMY-GBXCKJPGSA-N 2 2 473.622 0.730 20 0 JCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001164806855 720079869 /nfs/dbraw/zinc/07/98/69/720079869.db2.gz DJPJKBTVNAXIMY-HYBUGGRVSA-N 2 2 473.622 0.730 20 0 JCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001164806855 720079864 /nfs/dbraw/zinc/07/98/64/720079864.db2.gz DJPJKBTVNAXIMY-HYBUGGRVSA-N 2 2 473.622 0.730 20 0 JCADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001164806858 720079707 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722100096 /nfs/dbraw/zinc/10/00/96/722100096.db2.gz LFOITUGCUAOALT-NQIIRXRSSA-N 2 2 472.615 0.691 20 0 JCADLP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164981390 722100061 /nfs/dbraw/zinc/10/00/61/722100061.db2.gz LFOITUGCUAOALT-RXVVDRJESA-N 2 2 472.615 0.691 20 0 JCADLP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164981390 722100060 /nfs/dbraw/zinc/10/00/60/722100060.db2.gz LFOITUGCUAOALT-RXVVDRJESA-N 2 2 472.615 0.691 20 0 JCADLP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164981392 722100318 /nfs/dbraw/zinc/10/03/18/722100318.db2.gz LFOITUGCUAOALT-WIYYLYMNSA-N 2 2 472.615 0.691 20 0 JCADLP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164981392 722100316 /nfs/dbraw/zinc/10/03/16/722100316.db2.gz LFOITUGCUAOALT-WIYYLYMNSA-N 2 2 472.615 0.691 20 0 JCADLP C[NH+]1CCN(c2ncnc3c2CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)CC1 ZINC001165002728 722236347 /nfs/dbraw/zinc/23/63/47/722236347.db2.gz XSTODLIXRSUBCO-UHFFFAOYSA-N 2 2 451.579 0.063 20 0 JCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001165016026 721765174 /nfs/dbraw/zinc/76/51/74/721765174.db2.gz VOTKNIIKWIWKHV-UHFFFAOYSA-N 2 2 450.551 0.151 20 0 JCADLP CCCCN(C)C(=O)C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC001167078842 1067676696 /nfs/dbraw/zinc/67/66/96/1067676696.db2.gz XGYSWUDZRMBHCY-UHFFFAOYSA-N 2 2 456.595 0.982 20 0 JCADLP C[NH+](C)[C@@H](CNC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1 ZINC001167477789 1067773363 /nfs/dbraw/zinc/77/33/63/1067773363.db2.gz HVLJHWCNTQMADR-NRFANRHFSA-N 2 2 453.591 0.854 20 0 JCADLP C[NH+](C)[C@H](CNC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1 ZINC001167477790 1067773283 /nfs/dbraw/zinc/77/32/83/1067773283.db2.gz HVLJHWCNTQMADR-OAQYLSRUSA-N 2 2 453.591 0.854 20 0 JCADLP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001167527214 1067806313 /nfs/dbraw/zinc/80/63/13/1067806313.db2.gz STBCZXICQUFMBV-UHFFFAOYSA-N 2 2 471.587 0.673 20 0 JCADLP COc1cccc(C(=O)N2CCC(n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2)c1 ZINC001167867173 1068084552 /nfs/dbraw/zinc/08/45/52/1068084552.db2.gz ZDSDAAUQOXYPRZ-SFTDATJTSA-N 2 2 468.558 0.715 20 0 JCADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001167982185 1069365993 /nfs/dbraw/zinc/36/59/93/1069365993.db2.gz ZYVCAPTZMJPUGV-JRURSNTJSA-N 2 2 471.602 0.405 20 0 JCADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001167982185 1069365985 /nfs/dbraw/zinc/36/59/85/1069365985.db2.gz ZYVCAPTZMJPUGV-JRURSNTJSA-N 2 2 471.602 0.405 20 0 JCADLP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989023 1069435264 /nfs/dbraw/zinc/43/52/64/1069435264.db2.gz RYRMVEOOQOYTGD-JTMIBNFXSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989023 1069435258 /nfs/dbraw/zinc/43/52/58/1069435258.db2.gz RYRMVEOOQOYTGD-JTMIBNFXSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989023 1069435251 /nfs/dbraw/zinc/43/52/51/1069435251.db2.gz RYRMVEOOQOYTGD-JTMIBNFXSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989023 1069435247 /nfs/dbraw/zinc/43/52/47/1069435247.db2.gz RYRMVEOOQOYTGD-JTMIBNFXSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989025 1069434988 /nfs/dbraw/zinc/43/49/88/1069434988.db2.gz RYRMVEOOQOYTGD-PWGZVMSYSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989025 1069434981 /nfs/dbraw/zinc/43/49/81/1069434981.db2.gz RYRMVEOOQOYTGD-PWGZVMSYSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989025 1069434977 /nfs/dbraw/zinc/43/49/77/1069434977.db2.gz RYRMVEOOQOYTGD-PWGZVMSYSA-N 2 2 451.633 0.986 20 0 JCADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21)N1CCOCC1 ZINC001167989025 1069434974 /nfs/dbraw/zinc/43/49/74/1069434974.db2.gz RYRMVEOOQOYTGD-PWGZVMSYSA-N 2 2 451.633 0.986 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001168332326 1070062127 /nfs/dbraw/zinc/06/21/27/1070062127.db2.gz WRFPIVHZZJHJPV-FQEVSTJZSA-N 2 2 457.623 0.795 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001168332326 1070062115 /nfs/dbraw/zinc/06/21/15/1070062115.db2.gz WRFPIVHZZJHJPV-FQEVSTJZSA-N 2 2 457.623 0.795 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001168332342 1070062207 /nfs/dbraw/zinc/06/22/07/1070062207.db2.gz WRFPIVHZZJHJPV-HXUWFJFHSA-N 2 2 457.623 0.795 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001168332342 1070062193 /nfs/dbraw/zinc/06/21/93/1070062193.db2.gz WRFPIVHZZJHJPV-HXUWFJFHSA-N 2 2 457.623 0.795 20 0 JCADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001168368919 1070234874 /nfs/dbraw/zinc/23/48/74/1070234874.db2.gz SJDWAYUCVALAAE-OALUTQOASA-N 2 2 455.669 0.705 20 0 JCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001168611730 1069451460 /nfs/dbraw/zinc/45/14/60/1069451460.db2.gz FBZHENVSWXZNML-UHFFFAOYSA-N 2 2 450.624 0.787 20 0 JCADLP CCOC(=O)c1cc2c(ncnc2NC(=[NH2+])N2CC[NH+](C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001168735464 1069537271 /nfs/dbraw/zinc/53/72/71/1069537271.db2.gz QCGKJWRSTOFMTA-UHFFFAOYSA-N 2 2 471.543 0.861 20 0 JCADLP COc1ccc(NS(=O)(=O)c2ccc(-n3nnnc3C[NH3+])cc2)cc1N1CC[NH+](C)CC1 ZINC001168921226 1069937261 /nfs/dbraw/zinc/93/72/61/1069937261.db2.gz WIWGACHLDYCXBS-UHFFFAOYSA-N 2 2 458.548 0.682 20 0 JCADLP COc1ccc(CN2CC[C@@H](n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2=O)cc1 ZINC001168921304 1069938151 /nfs/dbraw/zinc/93/81/51/1069938151.db2.gz UVHJRQZYQPBILR-QMMLZNLJSA-N 2 2 468.558 0.602 20 0 JCADLP COc1ccc(CN2CC[C@H](n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2=O)cc1 ZINC001168921306 1069938242 /nfs/dbraw/zinc/93/82/42/1069938242.db2.gz UVHJRQZYQPBILR-YYWHXJBOSA-N 2 2 468.558 0.602 20 0 JCADLP CNC(=O)Nc1ccc(-c2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc(N3CCOCC3)n2)cc1 ZINC001169070815 1069944882 /nfs/dbraw/zinc/94/48/82/1069944882.db2.gz CTCIIVATBMHEPB-OAHLLOKOSA-N 2 2 453.507 0.174 20 0 JCADLP CCOC(=O)c1cc2c(ncnc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1S(=O)(=O)c1ccccc1 ZINC001169071188 1069944822 /nfs/dbraw/zinc/94/48/22/1069944822.db2.gz GTNTUWRPNPYOHY-CQSZACIVSA-N 2 2 470.511 0.893 20 0 JCADLP COC(=O)C1(n2c(C(=O)N(C)C)cc3cnc(-n4c[nH+]cc4C[C@@H]([NH3+])CO)nc32)CCCC1 ZINC001169072814 1069944740 /nfs/dbraw/zinc/94/47/40/1069944740.db2.gz ZSBBTPXLMSFTNH-OAHLLOKOSA-N 2 2 455.519 0.623 20 0 JCADLP COC(=O)c1cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)nc(Oc2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC001169129056 1069946112 /nfs/dbraw/zinc/94/61/12/1069946112.db2.gz JHIYUDVSGTZPRJ-ZBFHGGJFSA-N 2 2 457.491 0.176 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001169172855 1069962972 /nfs/dbraw/zinc/96/29/72/1069962972.db2.gz WCQVXRAONIMJBJ-HRCADAONSA-N 2 2 463.583 0.529 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001169172856 1069962805 /nfs/dbraw/zinc/96/28/05/1069962805.db2.gz WCQVXRAONIMJBJ-OWCLPIDISA-N 2 2 463.583 0.529 20 0 JCADLP N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1cc[nH+]c(N2CCOCC2)c1)S(N)(=O)=O ZINC001169181073 1069965397 /nfs/dbraw/zinc/96/53/97/1069965397.db2.gz XYTONGQJIXZPEW-UHFFFAOYSA-N 2 2 499.648 0.991 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001169182662 1069967933 /nfs/dbraw/zinc/96/79/33/1069967933.db2.gz YWXCKQJIBLDGND-HOJAQTOUSA-N 2 2 453.591 0.794 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001169182667 1069968887 /nfs/dbraw/zinc/96/88/87/1069968887.db2.gz YWXCKQJIBLDGND-IHPCNDPISA-N 2 2 453.591 0.794 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001169194177 1069950269 /nfs/dbraw/zinc/95/02/69/1069950269.db2.gz WCQVXRAONIMJBJ-JYJNAYRXSA-N 2 2 463.583 0.529 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001169194178 1069950121 /nfs/dbraw/zinc/95/01/21/1069950121.db2.gz WCQVXRAONIMJBJ-PMPSAXMXSA-N 2 2 463.583 0.529 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001169200639 1069952498 /nfs/dbraw/zinc/95/24/98/1069952498.db2.gz AFWIIRMBZVVISF-KRWDZBQOSA-N 2 2 480.577 0.735 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001169200639 1069952481 /nfs/dbraw/zinc/95/24/81/1069952481.db2.gz AFWIIRMBZVVISF-KRWDZBQOSA-N 2 2 480.577 0.735 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001169200648 1069952310 /nfs/dbraw/zinc/95/23/10/1069952310.db2.gz AFWIIRMBZVVISF-QGZVFWFLSA-N 2 2 480.577 0.735 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001169200648 1069952297 /nfs/dbraw/zinc/95/22/97/1069952297.db2.gz AFWIIRMBZVVISF-QGZVFWFLSA-N 2 2 480.577 0.735 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001169207281 1069972358 /nfs/dbraw/zinc/97/23/58/1069972358.db2.gz WKYFOBCBZMXFPW-IBGZPJMESA-N 2 2 497.648 0.452 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001169207281 1069972343 /nfs/dbraw/zinc/97/23/43/1069972343.db2.gz WKYFOBCBZMXFPW-IBGZPJMESA-N 2 2 497.648 0.452 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001169207284 1069972311 /nfs/dbraw/zinc/97/23/11/1069972311.db2.gz WKYFOBCBZMXFPW-LJQANCHMSA-N 2 2 497.648 0.452 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001169207284 1069972303 /nfs/dbraw/zinc/97/23/03/1069972303.db2.gz WKYFOBCBZMXFPW-LJQANCHMSA-N 2 2 497.648 0.452 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169207985 1069972629 /nfs/dbraw/zinc/97/26/29/1069972629.db2.gz YVCNIYYBWSZULZ-GOSISDBHSA-N 2 2 479.589 0.992 20 0 JCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169207985 1069972613 /nfs/dbraw/zinc/97/26/13/1069972613.db2.gz YVCNIYYBWSZULZ-GOSISDBHSA-N 2 2 479.589 0.992 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169207986 1069972153 /nfs/dbraw/zinc/97/21/53/1069972153.db2.gz YVCNIYYBWSZULZ-SFHVURJKSA-N 2 2 479.589 0.992 20 0 JCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001169207986 1069972143 /nfs/dbraw/zinc/97/21/43/1069972143.db2.gz YVCNIYYBWSZULZ-SFHVURJKSA-N 2 2 479.589 0.992 20 0 JCADLP CC[NH+]1CCC([NH2+][C@H](C(=O)N(c2ccc(CO)cc2)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C)CC1 ZINC001169233854 1069977895 /nfs/dbraw/zinc/97/78/95/1069977895.db2.gz WWGDIHKAMXFIMK-VXKWHMMOSA-N 2 2 490.649 0.913 20 0 JCADLP CC[NH+]1CCC([NH2+][C@H]2[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COC(=O)c2ccc(C)cc2)CC1 ZINC001169239268 1069980149 /nfs/dbraw/zinc/98/01/49/1069980149.db2.gz VURBIQNQYMWTJV-ZHHKINOHSA-N 2 2 472.542 0.815 20 0 JCADLP CC[NH+]1CCC([NH2+][C@@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C(N)=O)CC1 ZINC001169240523 1069979850 /nfs/dbraw/zinc/97/98/50/1069979850.db2.gz KPBDTTJOBDGERL-IWFBPKFRSA-N 2 2 482.695 0.927 20 0 JCADLP CC[NH+]1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001169244396 1069979915 /nfs/dbraw/zinc/97/99/15/1069979915.db2.gz MCRIMXXVILXIBH-UFYCRDLUSA-N 3 2 452.644 0.175 20 0 JCADLP CC[NH+](CC)Cc1cncc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169980313 1070013062 /nfs/dbraw/zinc/01/30/62/1070013062.db2.gz PYPKWAOQAIYULK-SFHVURJKSA-N 2 2 486.577 0.902 20 0 JCADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnccc1/C=C/[NH+](C)C)c(N)nc2=O ZINC001169980517 1070018914 /nfs/dbraw/zinc/01/89/14/1070018914.db2.gz YXHUKWWJQKUQLI-JKNJVXJCSA-N 2 2 470.534 0.592 20 0 JCADLP Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c2[nH+]ccn2c1 ZINC001169980917 1070014615 /nfs/dbraw/zinc/01/46/15/1070014615.db2.gz DGRPNVZAYHBONA-HNNXBMFYSA-N 2 2 454.491 0.621 20 0 JCADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(C[NH+](C)C)cn1)c(N)nc2=O ZINC001169982261 1070018018 /nfs/dbraw/zinc/01/80/18/1070018018.db2.gz MINYXLWUZRTJTB-INIZCTEOSA-N 2 2 458.523 0.122 20 0 JCADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(Cn3cc[nH+]c3)cc1)c(N)nc2=O ZINC001169982304 1070021748 /nfs/dbraw/zinc/02/17/48/1070021748.db2.gz NJIPKUFSBDZJJO-SFHVURJKSA-N 2 2 480.529 0.910 20 0 JCADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(C[NH+](C)C)n1)c(N)nc2=O ZINC001169982877 1070022450 /nfs/dbraw/zinc/02/24/50/1070022450.db2.gz PBKMQPYJYCCAIZ-INIZCTEOSA-N 2 2 458.523 0.122 20 0 JCADLP Cc1cc2[nH+]ccn2cc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169983327 1070020983 /nfs/dbraw/zinc/02/09/83/1070020983.db2.gz XCRBMBJRXFKPGH-INIZCTEOSA-N 2 2 454.491 0.621 20 0 JCADLP CC(C)(C)OC(=O)N1C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170029966 1070033631 /nfs/dbraw/zinc/03/36/31/1070033631.db2.gz MKLWNDFUPQFLKM-IRXDYDNUSA-N 2 2 466.608 0.974 20 0 JCADLP CC(C)(C)OC(=O)N1C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170029967 1070034340 /nfs/dbraw/zinc/03/43/40/1070034340.db2.gz MKLWNDFUPQFLKM-SJORKVTESA-N 2 2 466.608 0.974 20 0 JCADLP CC(C)CCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001170074475 1070052073 /nfs/dbraw/zinc/05/20/73/1070052073.db2.gz UCUNNYVOFYKGFE-NEWSRXKRSA-N 3 2 451.616 0.356 20 0 JCADLP CC(C)CCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001170074480 1070052313 /nfs/dbraw/zinc/05/23/13/1070052313.db2.gz UCUNNYVOFYKGFE-WDSOQIARSA-N 3 2 451.616 0.356 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388307 1070084398 /nfs/dbraw/zinc/08/43/98/1070084398.db2.gz KYYUCMVAMGPWEJ-OMKNMKTRSA-N 3 2 492.665 0.743 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388308 1070084365 /nfs/dbraw/zinc/08/43/65/1070084365.db2.gz KYYUCMVAMGPWEJ-RWGFNOPZSA-N 3 2 492.665 0.743 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388309 1070084293 /nfs/dbraw/zinc/08/42/93/1070084293.db2.gz KYYUCMVAMGPWEJ-TYEXILJQSA-N 3 2 492.665 0.743 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388310 1070084848 /nfs/dbraw/zinc/08/48/48/1070084848.db2.gz KYYUCMVAMGPWEJ-XTGKXIELSA-N 3 2 492.665 0.743 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc[nH+]c(N3CCC([NH3+])CC3)n2)[C@H](O)OC(C)(C)C)C1 ZINC001170388627 1070085302 /nfs/dbraw/zinc/08/53/02/1070085302.db2.gz OSJAFBVICFDDQG-IDMBKMDTSA-N 4 2 465.643 0.678 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc[nH+]c(N3CCC([NH3+])CC3)n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388628 1070085591 /nfs/dbraw/zinc/08/55/91/1070085591.db2.gz OSJAFBVICFDDQG-IJSRONBGSA-N 4 2 465.643 0.678 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc[nH+]c(N3CCC([NH3+])CC3)n2)[C@H](O)OC(C)(C)C)C1 ZINC001170388629 1070085538 /nfs/dbraw/zinc/08/55/38/1070085538.db2.gz OSJAFBVICFDDQG-MFYHKTHDSA-N 4 2 465.643 0.678 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc[nH+]c(N3CCC([NH3+])CC3)n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388630 1070085734 /nfs/dbraw/zinc/08/57/34/1070085734.db2.gz OSJAFBVICFDDQG-NXYLTKOQSA-N 4 2 465.643 0.678 20 0 JCADLP Cc1cc(=O)n(-c2ccc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])nn2)[nH]1 ZINC001170392910 1070087912 /nfs/dbraw/zinc/08/79/12/1070087912.db2.gz ILLINCPNWWLECI-CPSBXNMUSA-N 2 2 463.583 0.863 20 0 JCADLP Cc1cc(=O)n(-c2ccc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])nn2)[nH]1 ZINC001170392911 1070088177 /nfs/dbraw/zinc/08/81/77/1070088177.db2.gz ILLINCPNWWLECI-JKFIPMIMSA-N 2 2 463.583 0.863 20 0 JCADLP Cc1cc(=O)n(-c2ccc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])nn2)[nH]1 ZINC001170392912 1070087839 /nfs/dbraw/zinc/08/78/39/1070087839.db2.gz ILLINCPNWWLECI-KUVPCWQVSA-N 2 2 463.583 0.863 20 0 JCADLP Cc1cc(=O)n(-c2ccc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])nn2)[nH]1 ZINC001170392913 1070088058 /nfs/dbraw/zinc/08/80/58/1070088058.db2.gz ILLINCPNWWLECI-XUHKJIGQSA-N 2 2 463.583 0.863 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cc(C(N)=O)ncn3)nc2C(N)=O)[nH+]c1C ZINC001170811514 1070280203 /nfs/dbraw/zinc/28/02/03/1070280203.db2.gz CVCDHDIUCGNUST-LSDHHAIUSA-N 2 2 476.545 0.786 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cnc(C(N)=O)cn3)nc2C(N)=O)[nH+]c1C ZINC001170811689 1070280304 /nfs/dbraw/zinc/28/03/04/1070280304.db2.gz GWANIMHECJSKOA-LSDHHAIUSA-N 2 2 476.545 0.786 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cn(C)c(=O)cn3)nc2C(N)=O)[nH+]c1C ZINC001170811690 1070280840 /nfs/dbraw/zinc/28/08/40/1070280840.db2.gz GWZQTFZORWPLST-JKSUJKDBSA-N 2 2 463.546 0.991 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3nccnc3C(N)=O)nc2C(N)=O)[nH+]c1C ZINC001170811965 1070281836 /nfs/dbraw/zinc/28/18/36/1070281836.db2.gz MCQYXNVAQUEYQP-LSDHHAIUSA-N 2 2 476.545 0.786 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3ccc(CC(N)=O)nn3)nc2C(N)=O)[nH+]c1C ZINC001170811983 1070281953 /nfs/dbraw/zinc/28/19/53/1070281953.db2.gz MMQMCWZOTPBIKP-DLBZAZTESA-N 2 2 490.572 0.715 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3ccc(=O)n(C)n3)nc2C(N)=O)[nH+]c1C ZINC001170812138 1070282670 /nfs/dbraw/zinc/28/26/70/1070282670.db2.gz PFKHFMSHZRNGIP-JKSUJKDBSA-N 2 2 463.546 0.991 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3ccnn(C)c3=O)nc2C(N)=O)[nH+]c1C ZINC001170813753 1070282809 /nfs/dbraw/zinc/28/28/09/1070282809.db2.gz LNRMAOSZNFPMKN-JKSUJKDBSA-N 2 2 463.546 0.991 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cnc(=O)n(C)c3)nc2C(N)=O)[nH+]c1C ZINC001170813884 1070282755 /nfs/dbraw/zinc/28/27/55/1070282755.db2.gz MIQKDGGXNXGRHA-DLBZAZTESA-N 2 2 463.546 0.991 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3cnc(C(N)=O)nc3)nc2C(N)=O)[nH+]c1C ZINC001170813945 1070283332 /nfs/dbraw/zinc/28/33/32/1070283332.db2.gz NBXZNXNAFFMYIZ-JKSUJKDBSA-N 2 2 476.545 0.786 20 0 JCADLP CC(C)(C)OC(=O)NCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](O)CO ZINC001171426404 1068223989 /nfs/dbraw/zinc/22/39/89/1068223989.db2.gz LNSHEQIGTOCXDD-GOSISDBHSA-N 2 2 451.568 0.300 20 0 JCADLP CC(C)(C)OC(=O)NCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](O)CO ZINC001171426404 1068223980 /nfs/dbraw/zinc/22/39/80/1068223980.db2.gz LNSHEQIGTOCXDD-GOSISDBHSA-N 2 2 451.568 0.300 20 0 JCADLP CC(C)(C)OC(=O)NCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](O)CO ZINC001171426406 1068224278 /nfs/dbraw/zinc/22/42/78/1068224278.db2.gz LNSHEQIGTOCXDD-SFHVURJKSA-N 2 2 451.568 0.300 20 0 JCADLP CC(C)(C)OC(=O)NCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](O)CO ZINC001171426406 1068224265 /nfs/dbraw/zinc/22/42/65/1068224265.db2.gz LNSHEQIGTOCXDD-SFHVURJKSA-N 2 2 451.568 0.300 20 0 JCADLP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001171628683 1068230118 /nfs/dbraw/zinc/23/01/18/1068230118.db2.gz GEHIWPHEICNHSI-KXBFYZLASA-N 2 2 461.607 0.651 20 0 JCADLP Cc1ccc(CC[C@@H](C)n2c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)cc1 ZINC001171666427 1068231041 /nfs/dbraw/zinc/23/10/41/1068231041.db2.gz WMZUGTMDHIMWTD-COPCDDAFSA-N 3 2 485.633 0.470 20 0 JCADLP Cc1ccc(CC[C@H](C)n2c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)cc1 ZINC001171666428 1068230991 /nfs/dbraw/zinc/23/09/91/1068230991.db2.gz WMZUGTMDHIMWTD-NYVOZVTQSA-N 3 2 485.633 0.470 20 0 JCADLP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172113615 1068242789 /nfs/dbraw/zinc/24/27/89/1068242789.db2.gz DXZTZDIQRFENCR-OHLUDGLTSA-N 2 2 484.546 0.674 20 0 JCADLP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172113615 1068242781 /nfs/dbraw/zinc/24/27/81/1068242781.db2.gz DXZTZDIQRFENCR-OHLUDGLTSA-N 2 2 484.546 0.674 20 0 JCADLP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172113635 1068242847 /nfs/dbraw/zinc/24/28/47/1068242847.db2.gz DXZTZDIQRFENCR-TYTCJDMUSA-N 2 2 484.546 0.674 20 0 JCADLP CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172113635 1068242842 /nfs/dbraw/zinc/24/28/42/1068242842.db2.gz DXZTZDIQRFENCR-TYTCJDMUSA-N 2 2 484.546 0.674 20 0 JCADLP COCCC[NH+]1CCC([NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1 ZINC001172249530 1068245817 /nfs/dbraw/zinc/24/58/17/1068245817.db2.gz NCUPCHHZMNJZQC-OALUTQOASA-N 2 2 473.684 0.331 20 0 JCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172997849 1068262028 /nfs/dbraw/zinc/26/20/28/1068262028.db2.gz OERDNNMXJAYTRS-PMACEKPBSA-N 2 2 456.522 0.846 20 0 JCADLP COc1ccc(CN2CC[C@@H](n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2=O)c(OC)c1 ZINC001173024957 1068262704 /nfs/dbraw/zinc/26/27/04/1068262704.db2.gz ZIPORSKUODIYFH-QMMLZNLJSA-N 2 2 498.584 0.610 20 0 JCADLP COc1ccc(CN2CC[C@H](n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2=O)c(OC)c1 ZINC001173024958 1068262663 /nfs/dbraw/zinc/26/26/63/1068262663.db2.gz ZIPORSKUODIYFH-YYWHXJBOSA-N 2 2 498.584 0.610 20 0 JCADLP COc1ccc(C(=O)N2CCC(n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC001173403322 1068268807 /nfs/dbraw/zinc/26/88/07/1068268807.db2.gz STNVRFWDFXAQPJ-SFTDATJTSA-N 2 2 468.558 0.715 20 0 JCADLP COC(=O)[C@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509398 1068276181 /nfs/dbraw/zinc/27/61/81/1068276181.db2.gz RSXWRJBCOIPGBX-BVOGOJNSSA-N 2 2 496.568 0.248 20 0 JCADLP COC(=O)[C@@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509411 1068276246 /nfs/dbraw/zinc/27/62/46/1068276246.db2.gz RSXWRJBCOIPGBX-HZEGPAAWSA-N 2 2 496.568 0.248 20 0 JCADLP COC(=O)[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509417 1068275986 /nfs/dbraw/zinc/27/59/86/1068275986.db2.gz RSXWRJBCOIPGBX-VMXMFDLUSA-N 2 2 496.568 0.248 20 0 JCADLP COC(=O)[C@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCN1C(=O)c1ccccc1 ZINC001173509424 1068276052 /nfs/dbraw/zinc/27/60/52/1068276052.db2.gz RSXWRJBCOIPGBX-ZIBCJSCZSA-N 2 2 496.568 0.248 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc4nc(C5CCOCC5)nn4c3)CC2)C1=O ZINC001174707314 1068303180 /nfs/dbraw/zinc/30/31/80/1068303180.db2.gz NRZZCBYUYYLYPL-UHFFFAOYSA-N 2 2 483.617 0.934 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc4nc(C5CCOCC5)nn4c3)CC2)C1=O ZINC001174707314 1068303163 /nfs/dbraw/zinc/30/31/63/1068303163.db2.gz NRZZCBYUYYLYPL-UHFFFAOYSA-N 2 2 483.617 0.934 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)CC2)C1=O ZINC001175002741 1068308094 /nfs/dbraw/zinc/30/80/94/1068308094.db2.gz RXJFNTYAJNQHLI-UHFFFAOYSA-N 2 2 496.385 0.941 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nc4c(Br)cc(F)cn4n3)CC2)C1=O ZINC001175002741 1068308073 /nfs/dbraw/zinc/30/80/73/1068308073.db2.gz RXJFNTYAJNQHLI-UHFFFAOYSA-N 2 2 496.385 0.941 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)c2nonc21 ZINC001175104575 1068309876 /nfs/dbraw/zinc/30/98/76/1068309876.db2.gz KGUPTEKAFVKWIQ-UHFFFAOYSA-N 2 2 462.536 0.111 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cc3n(n2)CCC[N@H+](C)C3)c2nonc21 ZINC001175104575 1068309857 /nfs/dbraw/zinc/30/98/57/1068309857.db2.gz KGUPTEKAFVKWIQ-UHFFFAOYSA-N 2 2 462.536 0.111 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)[C@@H](O)OC(C)(C)C)C1 ZINC001175104727 1068310578 /nfs/dbraw/zinc/31/05/78/1068310578.db2.gz LXDHCKVZDPUNTJ-NTDLQVJQSA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)[C@@H](O)OC(C)(C)C)C1 ZINC001175104727 1068310562 /nfs/dbraw/zinc/31/05/62/1068310562.db2.gz LXDHCKVZDPUNTJ-NTDLQVJQSA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)[C@H](O)OC(C)(C)C)C1 ZINC001175104728 1068310069 /nfs/dbraw/zinc/31/00/69/1068310069.db2.gz LXDHCKVZDPUNTJ-VGRNTABGSA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)[C@H](O)OC(C)(C)C)C1 ZINC001175104728 1068310059 /nfs/dbraw/zinc/31/00/59/1068310059.db2.gz LXDHCKVZDPUNTJ-VGRNTABGSA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)[C@@H](O)OC(C)(C)C)C1 ZINC001175104729 1068310307 /nfs/dbraw/zinc/31/03/07/1068310307.db2.gz LXDHCKVZDPUNTJ-VSDQCSMASA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)[C@@H](O)OC(C)(C)C)C1 ZINC001175104729 1068310289 /nfs/dbraw/zinc/31/02/89/1068310289.db2.gz LXDHCKVZDPUNTJ-VSDQCSMASA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)[C@H](O)OC(C)(C)C)C1 ZINC001175104730 1068310023 /nfs/dbraw/zinc/31/00/23/1068310023.db2.gz LXDHCKVZDPUNTJ-XONNXRMVSA-N 3 2 466.627 0.628 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)[C@H](O)OC(C)(C)C)C1 ZINC001175104730 1068310007 /nfs/dbraw/zinc/31/00/07/1068310007.db2.gz LXDHCKVZDPUNTJ-XONNXRMVSA-N 3 2 466.627 0.628 20 0 JCADLP NC(=O)C1([NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCS(=O)(=O)CC1 ZINC001175543589 1068318612 /nfs/dbraw/zinc/31/86/12/1068318612.db2.gz XMOHCCOJNGLJCX-KRWDZBQOSA-N 2 2 456.996 0.615 20 0 JCADLP NC(=O)C1([NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCS(=O)(=O)CC1 ZINC001175543591 1068319046 /nfs/dbraw/zinc/31/90/46/1068319046.db2.gz XMOHCCOJNGLJCX-QGZVFWFLSA-N 2 2 456.996 0.615 20 0 JCADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]cnc4c3ccn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001175782695 1068322299 /nfs/dbraw/zinc/32/22/99/1068322299.db2.gz VATKKEUGKOGJPF-GLHSZLCASA-N 2 2 454.531 0.928 20 0 JCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001176355029 1068334679 /nfs/dbraw/zinc/33/46/79/1068334679.db2.gz FMNIQTQJEVMQGJ-HXUWFJFHSA-N 2 2 470.578 0.213 20 0 JCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2)C(C)C ZINC001176355029 1068334661 /nfs/dbraw/zinc/33/46/61/1068334661.db2.gz FMNIQTQJEVMQGJ-HXUWFJFHSA-N 2 2 470.578 0.213 20 0 JCADLP OC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@H](O)[C@@H]1O ZINC001176380031 1068333189 /nfs/dbraw/zinc/33/31/89/1068333189.db2.gz RULGREJKKQAOFF-GLHSZLCASA-N 2 2 455.515 0.661 20 0 JCADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)S(=O)(=O)c1ccc(C)cc1 ZINC001176384886 1068332982 /nfs/dbraw/zinc/33/29/82/1068332982.db2.gz HRCZHAOSAAMQAT-UXHICEINSA-N 2 2 493.586 0.653 20 0 JCADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)S(=O)(=O)c1ccc(C)cc1 ZINC001176384886 1068332968 /nfs/dbraw/zinc/33/29/68/1068332968.db2.gz HRCZHAOSAAMQAT-UXHICEINSA-N 2 2 493.586 0.653 20 0 JCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC1([NH3+])CCCCC1)S(=O)(=O)c1c(C)noc1C ZINC001176400034 1068341728 /nfs/dbraw/zinc/34/17/28/1068341728.db2.gz VKWNUSNZMGEZQP-QGZVFWFLSA-N 2 2 466.564 0.941 20 0 JCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC1([NH3+])CCCCC1)S(=O)(=O)c1c(C)noc1C ZINC001176400034 1068341715 /nfs/dbraw/zinc/34/17/15/1068341715.db2.gz VKWNUSNZMGEZQP-QGZVFWFLSA-N 2 2 466.564 0.941 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)C1=O ZINC001176779521 1068365473 /nfs/dbraw/zinc/36/54/73/1068365473.db2.gz GTJQXPOOSWDXME-UHFFFAOYSA-N 2 2 455.563 0.761 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)C1=O ZINC001176779521 1068365469 /nfs/dbraw/zinc/36/54/69/1068365469.db2.gz GTJQXPOOSWDXME-UHFFFAOYSA-N 2 2 455.563 0.761 20 0 JCADLP Cc1nn(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cc1Br ZINC001177010699 1068391939 /nfs/dbraw/zinc/39/19/39/1068391939.db2.gz VYXKIFDKKZCJOQ-UHFFFAOYSA-N 2 2 455.401 0.651 20 0 JCADLP Cc1nn(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1Br ZINC001177010699 1068391927 /nfs/dbraw/zinc/39/19/27/1068391927.db2.gz VYXKIFDKKZCJOQ-UHFFFAOYSA-N 2 2 455.401 0.651 20 0 JCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)CC2 ZINC001177081337 1068397503 /nfs/dbraw/zinc/39/75/03/1068397503.db2.gz FVEMSTPKYAAPNU-INIZCTEOSA-N 2 2 475.550 0.710 20 0 JCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)CC2 ZINC001177081337 1068397489 /nfs/dbraw/zinc/39/74/89/1068397489.db2.gz FVEMSTPKYAAPNU-INIZCTEOSA-N 2 2 475.550 0.710 20 0 JCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)CC2 ZINC001177081339 1068397841 /nfs/dbraw/zinc/39/78/41/1068397841.db2.gz FVEMSTPKYAAPNU-MRXNPFEDSA-N 2 2 475.550 0.710 20 0 JCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)CC2 ZINC001177081339 1068397830 /nfs/dbraw/zinc/39/78/30/1068397830.db2.gz FVEMSTPKYAAPNU-MRXNPFEDSA-N 2 2 475.550 0.710 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3nc(-c4ccccn4)no3)CC2)C1=O ZINC001177188061 1068404784 /nfs/dbraw/zinc/40/47/84/1068404784.db2.gz FYBVGVXQXOZWOL-UHFFFAOYSA-N 2 2 455.563 0.761 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3nc(-c4ccccn4)no3)CC2)C1=O ZINC001177188061 1068404780 /nfs/dbraw/zinc/40/47/80/1068404780.db2.gz FYBVGVXQXOZWOL-UHFFFAOYSA-N 2 2 455.563 0.761 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC001177209907 1068403079 /nfs/dbraw/zinc/40/30/79/1068403079.db2.gz VVAPEAPWFZEYLW-UHFFFAOYSA-N 2 2 465.602 1.000 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CC[NH+](Cc4ccccn4)CC3)CC2)C1=O ZINC001177209925 1068403191 /nfs/dbraw/zinc/40/31/91/1068403191.db2.gz WCSOFVPNTZJCNT-UHFFFAOYSA-N 3 2 456.635 0.990 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CC[NH+](Cc4ccccn4)CC3)CC2)C1=O ZINC001177209925 1068403185 /nfs/dbraw/zinc/40/31/85/1068403185.db2.gz WCSOFVPNTZJCNT-UHFFFAOYSA-N 3 2 456.635 0.990 20 0 JCADLP Cc1cc(N2CCC(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@H+]4C)CC2)ncn1 ZINC001177556767 1068431695 /nfs/dbraw/zinc/43/16/95/1068431695.db2.gz CUUKLKPVIJYXPJ-UHFFFAOYSA-N 2 2 457.623 0.698 20 0 JCADLP Cc1cc(N2CCC(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@@H+]4C)CC2)ncn1 ZINC001177556767 1068431684 /nfs/dbraw/zinc/43/16/84/1068431684.db2.gz CUUKLKPVIJYXPJ-UHFFFAOYSA-N 2 2 457.623 0.698 20 0 JCADLP C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC001177565091 1068428577 /nfs/dbraw/zinc/42/85/77/1068428577.db2.gz DEGJSCCDDRNZCI-JOCHJYFZSA-N 2 2 450.587 0.949 20 0 JCADLP C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC001177565092 1068428685 /nfs/dbraw/zinc/42/86/85/1068428685.db2.gz DEGJSCCDDRNZCI-QFIPXVFZSA-N 2 2 450.587 0.949 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COc3ncc(Br)cn3)CC2)C1=O ZINC001177576092 1068429371 /nfs/dbraw/zinc/42/93/71/1068429371.db2.gz VNFGQINETVGBAG-UHFFFAOYSA-N 2 2 469.384 0.315 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COc3ncc(Br)cn3)CC2)C1=O ZINC001177576092 1068429366 /nfs/dbraw/zinc/42/93/66/1068429366.db2.gz VNFGQINETVGBAG-UHFFFAOYSA-N 2 2 469.384 0.315 20 0 JCADLP CN1C(=O)C[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)[C@H]1c1cccnc1 ZINC001177643856 1068434746 /nfs/dbraw/zinc/43/47/46/1068434746.db2.gz ODIHDBFEOXKEIM-PZJWPPBQSA-N 2 2 456.591 0.298 20 0 JCADLP CN1C(=O)C[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)[C@H]1c1cccnc1 ZINC001177643856 1068434739 /nfs/dbraw/zinc/43/47/39/1068434739.db2.gz ODIHDBFEOXKEIM-PZJWPPBQSA-N 2 2 456.591 0.298 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H](Cn3cccn3)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001177701839 1068437803 /nfs/dbraw/zinc/43/78/03/1068437803.db2.gz XYTKDGFQQZVDHQ-IBGZPJMESA-N 2 2 491.637 0.473 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H](Cn3cccn3)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001177701839 1068437785 /nfs/dbraw/zinc/43/77/85/1068437785.db2.gz XYTKDGFQQZVDHQ-IBGZPJMESA-N 2 2 491.637 0.473 20 0 JCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(F)c1 ZINC001177701992 1068438545 /nfs/dbraw/zinc/43/85/45/1068438545.db2.gz CCDYJNSKJZPBHU-INIZCTEOSA-N 2 2 450.540 0.858 20 0 JCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(F)c1 ZINC001177701993 1068438686 /nfs/dbraw/zinc/43/86/86/1068438686.db2.gz CCDYJNSKJZPBHU-MRXNPFEDSA-N 2 2 450.540 0.858 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CNC(=O)c3cnccc3C(F)(F)F)CC2)C1=O ZINC001177748578 1068441030 /nfs/dbraw/zinc/44/10/30/1068441030.db2.gz QUTBDXPNSUBSNN-UHFFFAOYSA-N 2 2 484.523 0.527 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CNC(=O)c3cnccc3C(F)(F)F)CC2)C1=O ZINC001177748578 1068441020 /nfs/dbraw/zinc/44/10/20/1068441020.db2.gz QUTBDXPNSUBSNN-UHFFFAOYSA-N 2 2 484.523 0.527 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cn(Cc4ccccc4)nn3)CC2)C1=O ZINC001178319795 1068468000 /nfs/dbraw/zinc/46/80/00/1068468000.db2.gz RNCMFIDSIIHVQY-UHFFFAOYSA-N 2 2 453.591 0.566 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cn(Cc4ccccc4)nn3)CC2)C1=O ZINC001178319795 1068467992 /nfs/dbraw/zinc/46/79/92/1068467992.db2.gz RNCMFIDSIIHVQY-UHFFFAOYSA-N 2 2 453.591 0.566 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3nnc(Cc4ccccc4)[nH]3)CC2)C1=O ZINC001178413099 1068480112 /nfs/dbraw/zinc/48/01/12/1068480112.db2.gz HZIKWIMPJDMGEG-UHFFFAOYSA-N 2 2 453.591 0.635 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3nnc(Cc4ccccc4)[nH]3)CC2)C1=O ZINC001178413099 1068480108 /nfs/dbraw/zinc/48/01/08/1068480108.db2.gz HZIKWIMPJDMGEG-UHFFFAOYSA-N 2 2 453.591 0.635 20 0 JCADLP CCOC(=O)N(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)Cc1ccco1 ZINC001178466870 1068485614 /nfs/dbraw/zinc/48/56/14/1068485614.db2.gz RMMXZCCMJJQRQB-UHFFFAOYSA-N 2 2 463.579 0.935 20 0 JCADLP CCOC(=O)N(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)Cc1ccco1 ZINC001178466870 1068485611 /nfs/dbraw/zinc/48/56/11/1068485611.db2.gz RMMXZCCMJJQRQB-UHFFFAOYSA-N 2 2 463.579 0.935 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178549342 1068488636 /nfs/dbraw/zinc/48/86/36/1068488636.db2.gz QOLSADUVFAQFRA-UHFFFAOYSA-N 2 2 455.575 0.642 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178549342 1068488632 /nfs/dbraw/zinc/48/86/32/1068488632.db2.gz QOLSADUVFAQFRA-UHFFFAOYSA-N 2 2 455.575 0.642 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)C1=O ZINC001178579085 1068490812 /nfs/dbraw/zinc/49/08/12/1068490812.db2.gz VVNQQQZZAMUFHD-GOSISDBHSA-N 2 2 467.611 0.319 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)C1=O ZINC001178579085 1068490808 /nfs/dbraw/zinc/49/08/08/1068490808.db2.gz VVNQQQZZAMUFHD-GOSISDBHSA-N 2 2 467.611 0.319 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)C1=O ZINC001178579089 1068490743 /nfs/dbraw/zinc/49/07/43/1068490743.db2.gz VVNQQQZZAMUFHD-SFHVURJKSA-N 2 2 467.611 0.319 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)C1=O ZINC001178579089 1068490737 /nfs/dbraw/zinc/49/07/37/1068490737.db2.gz VVNQQQZZAMUFHD-SFHVURJKSA-N 2 2 467.611 0.319 20 0 JCADLP COc1cccc(N2C[C@@H](C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@@H+]4C)CC2=O)c1 ZINC001178628258 1068495029 /nfs/dbraw/zinc/49/50/29/1068495029.db2.gz HDPODKWVNYJTSW-IBGZPJMESA-N 2 2 471.602 0.745 20 0 JCADLP COc1cccc(N2C[C@@H](C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@H+]4C)CC2=O)c1 ZINC001178628258 1068495024 /nfs/dbraw/zinc/49/50/24/1068495024.db2.gz HDPODKWVNYJTSW-IBGZPJMESA-N 2 2 471.602 0.745 20 0 JCADLP COc1cccc(N2C[C@H](C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@@H+]4C)CC2=O)c1 ZINC001178628259 1068495080 /nfs/dbraw/zinc/49/50/80/1068495080.db2.gz HDPODKWVNYJTSW-LJQANCHMSA-N 2 2 471.602 0.745 20 0 JCADLP COc1cccc(N2C[C@H](C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@H+]4C)CC2=O)c1 ZINC001178628259 1068495076 /nfs/dbraw/zinc/49/50/76/1068495076.db2.gz HDPODKWVNYJTSW-LJQANCHMSA-N 2 2 471.602 0.745 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655456 1068495732 /nfs/dbraw/zinc/49/57/32/1068495732.db2.gz BDRSYEVSQRQEEZ-MOPGFXCFSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655456 1068495731 /nfs/dbraw/zinc/49/57/31/1068495731.db2.gz BDRSYEVSQRQEEZ-MOPGFXCFSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655457 1068495737 /nfs/dbraw/zinc/49/57/37/1068495737.db2.gz BDRSYEVSQRQEEZ-OALUTQOASA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655457 1068495736 /nfs/dbraw/zinc/49/57/36/1068495736.db2.gz BDRSYEVSQRQEEZ-OALUTQOASA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655458 1068495873 /nfs/dbraw/zinc/49/58/73/1068495873.db2.gz BDRSYEVSQRQEEZ-RBUKOAKNSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655458 1068495870 /nfs/dbraw/zinc/49/58/70/1068495870.db2.gz BDRSYEVSQRQEEZ-RBUKOAKNSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655459 1068496655 /nfs/dbraw/zinc/49/66/55/1068496655.db2.gz BDRSYEVSQRQEEZ-RTBURBONSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@H](O)CN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178655459 1068496648 /nfs/dbraw/zinc/49/66/48/1068496648.db2.gz BDRSYEVSQRQEEZ-RTBURBONSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCCO3)CC2)C1=O ZINC001178707143 1068503590 /nfs/dbraw/zinc/50/35/90/1068503590.db2.gz JWNXWMPRFKVABZ-IBGZPJMESA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCCO3)CC2)C1=O ZINC001178707143 1068503586 /nfs/dbraw/zinc/50/35/86/1068503586.db2.gz JWNXWMPRFKVABZ-IBGZPJMESA-N 2 2 481.638 0.709 20 0 JCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001178731923 1068504301 /nfs/dbraw/zinc/50/43/01/1068504301.db2.gz DUPGDXNWDVJSRQ-DBOLQNLKSA-N 2 2 452.559 0.681 20 0 JCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001178731923 1068504286 /nfs/dbraw/zinc/50/42/86/1068504286.db2.gz DUPGDXNWDVJSRQ-DBOLQNLKSA-N 2 2 452.559 0.681 20 0 JCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001178731923 1068504278 /nfs/dbraw/zinc/50/42/78/1068504278.db2.gz DUPGDXNWDVJSRQ-DBOLQNLKSA-N 2 2 452.559 0.681 20 0 JCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001178731923 1068504269 /nfs/dbraw/zinc/50/42/69/1068504269.db2.gz DUPGDXNWDVJSRQ-DBOLQNLKSA-N 2 2 452.559 0.681 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)CC2)C1=O ZINC001178738286 1068506165 /nfs/dbraw/zinc/50/61/65/1068506165.db2.gz SLWHFRKUGWMRLX-MOPGFXCFSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)CC2)C1=O ZINC001178738286 1068506157 /nfs/dbraw/zinc/50/61/57/1068506157.db2.gz SLWHFRKUGWMRLX-MOPGFXCFSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)CC2)C1=O ZINC001178738287 1068506839 /nfs/dbraw/zinc/50/68/39/1068506839.db2.gz SLWHFRKUGWMRLX-OALUTQOASA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)CC2)C1=O ZINC001178738287 1068506827 /nfs/dbraw/zinc/50/68/27/1068506827.db2.gz SLWHFRKUGWMRLX-OALUTQOASA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)CC2)C1=O ZINC001178738288 1068506885 /nfs/dbraw/zinc/50/68/85/1068506885.db2.gz SLWHFRKUGWMRLX-RBUKOAKNSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)CC2)C1=O ZINC001178738288 1068506865 /nfs/dbraw/zinc/50/68/65/1068506865.db2.gz SLWHFRKUGWMRLX-RBUKOAKNSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)CC2)C1=O ZINC001178738289 1068507062 /nfs/dbraw/zinc/50/70/62/1068507062.db2.gz SLWHFRKUGWMRLX-RTBURBONSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3O)CC2)C1=O ZINC001178738289 1068507046 /nfs/dbraw/zinc/50/70/46/1068507046.db2.gz SLWHFRKUGWMRLX-RTBURBONSA-N 2 2 481.638 0.301 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178848511 1068514376 /nfs/dbraw/zinc/51/43/76/1068514376.db2.gz LDFYPGSDMSUXLE-DEOSSOPVSA-N 2 2 495.665 0.835 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178848511 1068514360 /nfs/dbraw/zinc/51/43/60/1068514360.db2.gz LDFYPGSDMSUXLE-DEOSSOPVSA-N 2 2 495.665 0.835 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178848512 1068514206 /nfs/dbraw/zinc/51/42/06/1068514206.db2.gz LDFYPGSDMSUXLE-XMMPIXPASA-N 2 2 495.665 0.835 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001178848512 1068514193 /nfs/dbraw/zinc/51/41/93/1068514193.db2.gz LDFYPGSDMSUXLE-XMMPIXPASA-N 2 2 495.665 0.835 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2nonc21 ZINC001178997383 1068521362 /nfs/dbraw/zinc/52/13/62/1068521362.db2.gz VPOPDFPOKRXYIQ-GOSISDBHSA-N 2 2 488.570 0.666 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2nonc21 ZINC001178997383 1068521353 /nfs/dbraw/zinc/52/13/53/1068521353.db2.gz VPOPDFPOKRXYIQ-GOSISDBHSA-N 2 2 488.570 0.666 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2nonc21 ZINC001178997384 1068521456 /nfs/dbraw/zinc/52/14/56/1068521456.db2.gz VPOPDFPOKRXYIQ-SFHVURJKSA-N 2 2 488.570 0.666 20 0 JCADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2nonc21 ZINC001178997384 1068521442 /nfs/dbraw/zinc/52/14/42/1068521442.db2.gz VPOPDFPOKRXYIQ-SFHVURJKSA-N 2 2 488.570 0.666 20 0 JCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)CC2)CC1 ZINC001179010105 1068521910 /nfs/dbraw/zinc/52/19/10/1068521910.db2.gz CGIBQTYCLDEPCE-UHFFFAOYSA-N 2 2 499.660 0.415 20 0 JCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)CC2)CC1 ZINC001179010126 1068522106 /nfs/dbraw/zinc/52/21/06/1068522106.db2.gz CTZWVVWGNZLGRV-UHFFFAOYSA-N 2 2 481.601 0.943 20 0 JCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CC2)CC1 ZINC001179010135 1068522017 /nfs/dbraw/zinc/52/20/17/1068522017.db2.gz DAFRWLGXYHBJAX-UHFFFAOYSA-N 2 2 454.579 0.978 20 0 JCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010378 1068521863 /nfs/dbraw/zinc/52/18/63/1068521863.db2.gz DRMAIMHVOLZLGV-DHLKQENFSA-N 2 2 478.634 0.964 20 0 JCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010379 1068521965 /nfs/dbraw/zinc/52/19/65/1068521965.db2.gz DRMAIMHVOLZLGV-RCZVLFRGSA-N 2 2 478.634 0.964 20 0 JCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010380 1068521937 /nfs/dbraw/zinc/52/19/37/1068521937.db2.gz DRMAIMHVOLZLGV-RDGATRHJSA-N 2 2 478.634 0.964 20 0 JCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC001179010382 1068522125 /nfs/dbraw/zinc/52/21/25/1068522125.db2.gz DRMAIMHVOLZLGV-WIOPSUGQSA-N 2 2 478.634 0.964 20 0 JCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@H+]4C)CC2)CC1 ZINC001179011160 1068523177 /nfs/dbraw/zinc/52/31/77/1068523177.db2.gz VKZKISMSNLWACF-UHFFFAOYSA-N 3 2 490.693 0.406 20 0 JCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@@H+]4C)CC2)CC1 ZINC001179011160 1068523164 /nfs/dbraw/zinc/52/31/64/1068523164.db2.gz VKZKISMSNLWACF-UHFFFAOYSA-N 3 2 490.693 0.406 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)C1=O ZINC001179057918 1068525924 /nfs/dbraw/zinc/52/59/24/1068525924.db2.gz TVCIKCVCNAYNOG-CYFREDJKSA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)C1=O ZINC001179057918 1068525913 /nfs/dbraw/zinc/52/59/13/1068525913.db2.gz TVCIKCVCNAYNOG-CYFREDJKSA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)C1=O ZINC001179057919 1068525819 /nfs/dbraw/zinc/52/58/19/1068525819.db2.gz TVCIKCVCNAYNOG-DVECYGJZSA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)C1=O ZINC001179057919 1068525805 /nfs/dbraw/zinc/52/58/05/1068525805.db2.gz TVCIKCVCNAYNOG-DVECYGJZSA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)C1=O ZINC001179057920 1068526085 /nfs/dbraw/zinc/52/60/85/1068526085.db2.gz TVCIKCVCNAYNOG-NTKDMRAZSA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)C1=O ZINC001179057920 1068526078 /nfs/dbraw/zinc/52/60/78/1068526078.db2.gz TVCIKCVCNAYNOG-NTKDMRAZSA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)C1=O ZINC001179057921 1068526043 /nfs/dbraw/zinc/52/60/43/1068526043.db2.gz TVCIKCVCNAYNOG-YADARESESA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)C1=O ZINC001179057921 1068526031 /nfs/dbraw/zinc/52/60/31/1068526031.db2.gz TVCIKCVCNAYNOG-YADARESESA-N 2 2 495.665 0.691 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)CC2)C1=O ZINC001179133479 1068532240 /nfs/dbraw/zinc/53/22/40/1068532240.db2.gz VZENZWHLGPMAOS-IBGZPJMESA-N 2 2 493.649 0.852 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)CC2)C1=O ZINC001179133479 1068532226 /nfs/dbraw/zinc/53/22/26/1068532226.db2.gz VZENZWHLGPMAOS-IBGZPJMESA-N 2 2 493.649 0.852 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)CC2)C1=O ZINC001179133480 1068532087 /nfs/dbraw/zinc/53/20/87/1068532087.db2.gz VZENZWHLGPMAOS-LJQANCHMSA-N 2 2 493.649 0.852 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)CC2)C1=O ZINC001179133480 1068532066 /nfs/dbraw/zinc/53/20/66/1068532066.db2.gz VZENZWHLGPMAOS-LJQANCHMSA-N 2 2 493.649 0.852 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)C1=O ZINC001179144576 1068533296 /nfs/dbraw/zinc/53/32/96/1068533296.db2.gz GHYXXPDTXDBPCD-CYFREDJKSA-N 2 2 493.649 0.567 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]34COC[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)C1=O ZINC001179144576 1068533275 /nfs/dbraw/zinc/53/32/75/1068533275.db2.gz GHYXXPDTXDBPCD-CYFREDJKSA-N 2 2 493.649 0.567 20 0 JCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154988 1068536853 /nfs/dbraw/zinc/53/68/53/1068536853.db2.gz AWYSBHQPPUXFBW-MSOLQXFVSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154988 1068536842 /nfs/dbraw/zinc/53/68/42/1068536842.db2.gz AWYSBHQPPUXFBW-MSOLQXFVSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154990 1068536202 /nfs/dbraw/zinc/53/62/02/1068536202.db2.gz AWYSBHQPPUXFBW-QZTJIDSGSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154990 1068536197 /nfs/dbraw/zinc/53/61/97/1068536197.db2.gz AWYSBHQPPUXFBW-QZTJIDSGSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154992 1068536680 /nfs/dbraw/zinc/53/66/80/1068536680.db2.gz AWYSBHQPPUXFBW-ROUUACIJSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154992 1068536671 /nfs/dbraw/zinc/53/66/71/1068536671.db2.gz AWYSBHQPPUXFBW-ROUUACIJSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154994 1068536488 /nfs/dbraw/zinc/53/64/88/1068536488.db2.gz AWYSBHQPPUXFBW-ZWKOTPCHSA-N 2 2 479.578 0.721 20 0 JCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154994 1068536469 /nfs/dbraw/zinc/53/64/69/1068536469.db2.gz AWYSBHQPPUXFBW-ZWKOTPCHSA-N 2 2 479.578 0.721 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=NO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)C1=O ZINC001179225618 1068550830 /nfs/dbraw/zinc/55/08/30/1068550830.db2.gz GAIBNWLJDWTKGA-ZWKOTPCHSA-N 2 2 492.621 0.305 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=NO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)C1=O ZINC001179225618 1068550817 /nfs/dbraw/zinc/55/08/17/1068550817.db2.gz GAIBNWLJDWTKGA-ZWKOTPCHSA-N 2 2 492.621 0.305 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CC2)C1=O ZINC001179300951 1068554551 /nfs/dbraw/zinc/55/45/51/1068554551.db2.gz DGWWKRUGXQWHBE-REPLKXPHSA-N 2 2 463.623 0.796 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CC2)C1=O ZINC001179300951 1068554545 /nfs/dbraw/zinc/55/45/45/1068554545.db2.gz DGWWKRUGXQWHBE-REPLKXPHSA-N 2 2 463.623 0.796 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)C1=O ZINC001179367938 1068566522 /nfs/dbraw/zinc/56/65/22/1068566522.db2.gz PBTKYSNQODSYRH-HSALFYBXSA-N 2 2 493.649 0.565 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CO[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)C1=O ZINC001179367938 1068566508 /nfs/dbraw/zinc/56/65/08/1068566508.db2.gz PBTKYSNQODSYRH-HSALFYBXSA-N 2 2 493.649 0.565 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)CC2)C1=O ZINC001179535612 1068574650 /nfs/dbraw/zinc/57/46/50/1068574650.db2.gz NXZSRKBJGBEIFJ-UUOWRZLLSA-N 2 2 479.622 0.462 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]34C[C@@H](CO3)N(C(=O)OC(C)(C)C)C4)CC2)C1=O ZINC001179535612 1068574638 /nfs/dbraw/zinc/57/46/38/1068574638.db2.gz NXZSRKBJGBEIFJ-UUOWRZLLSA-N 2 2 479.622 0.462 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@@H]43)CC2)C1=O ZINC001179547393 1068576121 /nfs/dbraw/zinc/57/61/21/1068576121.db2.gz JKPMMXMREOQAAY-XUVXKRRUSA-N 2 2 493.649 0.708 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]4CCO[C@@H]43)CC2)C1=O ZINC001179547393 1068576113 /nfs/dbraw/zinc/57/61/13/1068576113.db2.gz JKPMMXMREOQAAY-XUVXKRRUSA-N 2 2 493.649 0.708 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O ZINC001179742564 1068581290 /nfs/dbraw/zinc/58/12/90/1068581290.db2.gz MMJBBIGSHDSJMK-UHFFFAOYSA-N 2 2 481.638 0.445 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(O)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O ZINC001179742564 1068581278 /nfs/dbraw/zinc/58/12/78/1068581278.db2.gz MMJBBIGSHDSJMK-UHFFFAOYSA-N 2 2 481.638 0.445 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cccc(S(C)(=O)=O)c3)CC2)C1=O ZINC001180004617 1068590605 /nfs/dbraw/zinc/59/06/05/1068590605.db2.gz URWSJOGDLAIMJU-UHFFFAOYSA-N 2 2 450.605 0.329 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cccc(S(C)(=O)=O)c3)CC2)C1=O ZINC001180004617 1068590591 /nfs/dbraw/zinc/59/05/91/1068590591.db2.gz URWSJOGDLAIMJU-UHFFFAOYSA-N 2 2 450.605 0.329 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)CC2)C1=O ZINC001180067531 1068593690 /nfs/dbraw/zinc/59/36/90/1068593690.db2.gz XRTJGPVLIRKDMO-UHFFFAOYSA-N 2 2 464.632 0.720 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)CC2)C1=O ZINC001180067531 1068593670 /nfs/dbraw/zinc/59/36/70/1068593670.db2.gz XRTJGPVLIRKDMO-UHFFFAOYSA-N 2 2 464.632 0.720 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCCC(=O)N3CC(=O)Nc4ccccc43)CC2)C1=O ZINC001180097854 1068594542 /nfs/dbraw/zinc/59/45/42/1068594542.db2.gz OMOGWLCIEYPUNW-UHFFFAOYSA-N 2 2 498.628 0.839 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCCC(=O)N3CC(=O)Nc4ccccc43)CC2)C1=O ZINC001180097854 1068594529 /nfs/dbraw/zinc/59/45/29/1068594529.db2.gz OMOGWLCIEYPUNW-UHFFFAOYSA-N 2 2 498.628 0.839 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C3=NNC(=O)CC3)nc2C(N)=O)[nH+]c1C ZINC001180260309 1068598555 /nfs/dbraw/zinc/59/85/55/1068598555.db2.gz PIAOBPUQDUHYNC-LSDHHAIUSA-N 2 2 479.545 0.814 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)CC2)C1=O ZINC001180307280 1068604169 /nfs/dbraw/zinc/60/41/69/1068604169.db2.gz RDEFQYFQZXAXLA-NRFANRHFSA-N 2 2 455.603 0.699 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)CC2)C1=O ZINC001180307280 1068604166 /nfs/dbraw/zinc/60/41/66/1068604166.db2.gz RDEFQYFQZXAXLA-NRFANRHFSA-N 2 2 455.603 0.699 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)C1=O ZINC001180307281 1068604261 /nfs/dbraw/zinc/60/42/61/1068604261.db2.gz RDEFQYFQZXAXLA-OAQYLSRUSA-N 2 2 455.603 0.699 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)C1=O ZINC001180307281 1068604257 /nfs/dbraw/zinc/60/42/57/1068604257.db2.gz RDEFQYFQZXAXLA-OAQYLSRUSA-N 2 2 455.603 0.699 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)CN3C(=O)CNC3=O)nc2C(N)=O)[nH+]c1C ZINC001180388180 1068611728 /nfs/dbraw/zinc/61/17/28/1068611728.db2.gz YNXFCFYNCDFXFI-LSDHHAIUSA-N 2 2 495.544 0.100 20 0 JCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001180389621 1068611800 /nfs/dbraw/zinc/61/18/00/1068611800.db2.gz LOHOZZFJQQSYFH-OALUTQOASA-N 2 2 479.576 0.778 20 0 JCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001180407794 1068616040 /nfs/dbraw/zinc/61/60/40/1068616040.db2.gz OBIAAEHRCGTGTC-XZOQPEGZSA-N 3 2 499.656 0.604 20 0 JCADLP COC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001180407794 1068616030 /nfs/dbraw/zinc/61/60/30/1068616030.db2.gz OBIAAEHRCGTGTC-XZOQPEGZSA-N 3 2 499.656 0.604 20 0 JCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001180407794 1068616021 /nfs/dbraw/zinc/61/60/21/1068616021.db2.gz OBIAAEHRCGTGTC-XZOQPEGZSA-N 3 2 499.656 0.604 20 0 JCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001180407794 1068616013 /nfs/dbraw/zinc/61/60/13/1068616013.db2.gz OBIAAEHRCGTGTC-XZOQPEGZSA-N 3 2 499.656 0.604 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)C1=O ZINC001180418627 1068618343 /nfs/dbraw/zinc/61/83/43/1068618343.db2.gz ROBIGWGCIGXHNT-UHFFFAOYSA-N 2 2 477.993 0.762 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)C1=O ZINC001180418627 1068618341 /nfs/dbraw/zinc/61/83/41/1068618341.db2.gz ROBIGWGCIGXHNT-UHFFFAOYSA-N 2 2 477.993 0.762 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3CSCC(=O)N3)nc2C(N)=O)[nH+]c1C ZINC001180552694 1068622231 /nfs/dbraw/zinc/62/22/31/1068622231.db2.gz DGYGSZULNQJXGB-UXLLHSPISA-N 2 2 498.613 0.780 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3CSCC(=O)N3)nc2C(N)=O)[nH+]c1C ZINC001180552703 1068622125 /nfs/dbraw/zinc/62/21/25/1068622125.db2.gz DGYGSZULNQJXGB-ZMSDIMECSA-N 2 2 498.613 0.780 20 0 JCADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001180578444 1068620892 /nfs/dbraw/zinc/62/08/92/1068620892.db2.gz HMTIHJSPBUETRX-AABGKKOBSA-N 2 2 491.587 0.920 20 0 JCADLP C[C@@H](C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001180578445 1068621615 /nfs/dbraw/zinc/62/16/15/1068621615.db2.gz HMTIHJSPBUETRX-UFYCRDLUSA-N 2 2 491.587 0.920 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3SCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001180732724 1068634105 /nfs/dbraw/zinc/63/41/05/1068634105.db2.gz FTAFEGCCPFQFHT-GOSISDBHSA-N 2 2 469.652 0.993 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3SCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001180732724 1068634099 /nfs/dbraw/zinc/63/40/99/1068634099.db2.gz FTAFEGCCPFQFHT-GOSISDBHSA-N 2 2 469.652 0.993 20 0 JCADLP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[N@@H+](C)CCO3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001180761203 1068632675 /nfs/dbraw/zinc/63/26/75/1068632675.db2.gz VOSZLMGXFGTHNU-VSKRKVRLSA-N 2 2 495.584 0.242 20 0 JCADLP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[N@H+](C)CCO3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001180761203 1068632665 /nfs/dbraw/zinc/63/26/65/1068632665.db2.gz VOSZLMGXFGTHNU-VSKRKVRLSA-N 2 2 495.584 0.242 20 0 JCADLP COc1cccc(N=c2ncn(C(=O)[C@H]3C[N@@H+](C)CCO3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001180761204 1068632749 /nfs/dbraw/zinc/63/27/49/1068632749.db2.gz VOSZLMGXFGTHNU-YPAWHYETSA-N 2 2 495.584 0.242 20 0 JCADLP COc1cccc(N=c2ncn(C(=O)[C@H]3C[N@H+](C)CCO3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001180761204 1068632741 /nfs/dbraw/zinc/63/27/41/1068632741.db2.gz VOSZLMGXFGTHNU-YPAWHYETSA-N 2 2 495.584 0.242 20 0 JCADLP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001180786213 1068634683 /nfs/dbraw/zinc/63/46/83/1068634683.db2.gz PFQFINNOXMPZTL-KRWDZBQOSA-N 2 2 455.600 0.223 20 0 JCADLP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001180786213 1068634678 /nfs/dbraw/zinc/63/46/78/1068634678.db2.gz PFQFINNOXMPZTL-KRWDZBQOSA-N 2 2 455.600 0.223 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O ZINC001180792282 1068637318 /nfs/dbraw/zinc/63/73/18/1068637318.db2.gz XCNOKJGRKYLRJV-UHFFFAOYSA-N 2 2 480.654 0.236 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O ZINC001180792282 1068637314 /nfs/dbraw/zinc/63/73/14/1068637314.db2.gz XCNOKJGRKYLRJV-UHFFFAOYSA-N 2 2 480.654 0.236 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccc(OS(C)(=O)=O)cc3)CC2)C1=O ZINC001180869035 1068649964 /nfs/dbraw/zinc/64/99/64/1068649964.db2.gz SQUXLYNAYBWYSF-UHFFFAOYSA-N 2 2 466.604 0.264 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccc(OS(C)(=O)=O)cc3)CC2)C1=O ZINC001180869035 1068649963 /nfs/dbraw/zinc/64/99/63/1068649963.db2.gz SQUXLYNAYBWYSF-UHFFFAOYSA-N 2 2 466.604 0.264 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3[C@@H]4C[C@@H]4CN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001180991054 1068659493 /nfs/dbraw/zinc/65/94/93/1068659493.db2.gz JLCFROWDYJNXSD-GUDVDZBRSA-N 2 2 463.623 0.939 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3[C@@H]4C[C@@H]4CN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001180991054 1068659488 /nfs/dbraw/zinc/65/94/88/1068659488.db2.gz JLCFROWDYJNXSD-GUDVDZBRSA-N 2 2 463.623 0.939 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3COCCO3)nc2C(N)=O)[nH+]c1C ZINC001181004986 1068656679 /nfs/dbraw/zinc/65/66/79/1068656679.db2.gz KNNBXUXMONNWBX-JZXOWHBKSA-N 2 2 469.546 0.964 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3COCCO3)nc2C(N)=O)[nH+]c1C ZINC001181004997 1068656836 /nfs/dbraw/zinc/65/68/36/1068656836.db2.gz KNNBXUXMONNWBX-LZLYRXPVSA-N 2 2 469.546 0.964 20 0 JCADLP CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181042964 1068663166 /nfs/dbraw/zinc/66/31/66/1068663166.db2.gz QKIBDKUATMHYSC-KRWDZBQOSA-N 2 2 483.610 0.140 20 0 JCADLP CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181042964 1068663163 /nfs/dbraw/zinc/66/31/63/1068663163.db2.gz QKIBDKUATMHYSC-KRWDZBQOSA-N 2 2 483.610 0.140 20 0 JCADLP CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181042966 1068663099 /nfs/dbraw/zinc/66/30/99/1068663099.db2.gz QKIBDKUATMHYSC-QGZVFWFLSA-N 2 2 483.610 0.140 20 0 JCADLP CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181042966 1068663095 /nfs/dbraw/zinc/66/30/95/1068663095.db2.gz QKIBDKUATMHYSC-QGZVFWFLSA-N 2 2 483.610 0.140 20 0 JCADLP COC(=O)[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001181116560 1068669114 /nfs/dbraw/zinc/66/91/14/1068669114.db2.gz OHQIESGYIJWEJZ-SFHVURJKSA-N 2 2 497.637 0.530 20 0 JCADLP COC(=O)[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)NC(=O)OC(C)(C)C ZINC001181116560 1068669106 /nfs/dbraw/zinc/66/91/06/1068669106.db2.gz OHQIESGYIJWEJZ-SFHVURJKSA-N 2 2 497.637 0.530 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CC2)C1=O ZINC001181146734 1068672967 /nfs/dbraw/zinc/67/29/67/1068672967.db2.gz NKOKMHDWPUMLQK-UHFFFAOYSA-N 2 2 499.653 0.241 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COCCOCCNC(=O)OC(C)(C)C)CC2)C1=O ZINC001181146734 1068672964 /nfs/dbraw/zinc/67/29/64/1068672964.db2.gz NKOKMHDWPUMLQK-UHFFFAOYSA-N 2 2 499.653 0.241 20 0 JCADLP CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC001181307445 1068680532 /nfs/dbraw/zinc/68/05/32/1068680532.db2.gz UUMQLMRMBOIGNM-CEXWTWQISA-N 2 2 459.595 0.065 20 0 JCADLP CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC001181307446 1068680744 /nfs/dbraw/zinc/68/07/44/1068680744.db2.gz UUMQLMRMBOIGNM-FHWLQOOXSA-N 2 2 459.595 0.065 20 0 JCADLP CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC001181307447 1068680717 /nfs/dbraw/zinc/68/07/17/1068680717.db2.gz UUMQLMRMBOIGNM-GBESFXJTSA-N 2 2 459.595 0.065 20 0 JCADLP CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC001181307448 1068680799 /nfs/dbraw/zinc/68/07/99/1068680799.db2.gz UUMQLMRMBOIGNM-QYZOEREBSA-N 2 2 459.595 0.065 20 0 JCADLP CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181316684 1068681570 /nfs/dbraw/zinc/68/15/70/1068681570.db2.gz FUKVYMDBUKSBQC-OAQYLSRUSA-N 2 2 479.572 0.709 20 0 JCADLP CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181316684 1068681563 /nfs/dbraw/zinc/68/15/63/1068681563.db2.gz FUKVYMDBUKSBQC-OAQYLSRUSA-N 2 2 479.572 0.709 20 0 JCADLP C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181401456 1068687838 /nfs/dbraw/zinc/68/78/38/1068687838.db2.gz BUGQLHBOWBQUSW-ROUUACIJSA-N 2 2 496.653 0.101 20 0 JCADLP C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181401456 1068687833 /nfs/dbraw/zinc/68/78/33/1068687833.db2.gz BUGQLHBOWBQUSW-ROUUACIJSA-N 2 2 496.653 0.101 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001181438504 1068694267 /nfs/dbraw/zinc/69/42/67/1068694267.db2.gz VEQHZUMGLOSYGC-SFHVURJKSA-N 2 2 496.653 0.232 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001181438504 1068694261 /nfs/dbraw/zinc/69/42/61/1068694261.db2.gz VEQHZUMGLOSYGC-SFHVURJKSA-N 2 2 496.653 0.232 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)CC2)C1=O ZINC001181450395 1068691472 /nfs/dbraw/zinc/69/14/72/1068691472.db2.gz VRJOPPPDLAOAEF-NRFANRHFSA-N 2 2 455.603 0.874 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)CC2)C1=O ZINC001181450395 1068691466 /nfs/dbraw/zinc/69/14/66/1068691466.db2.gz VRJOPPPDLAOAEF-NRFANRHFSA-N 2 2 455.603 0.874 20 0 JCADLP CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181597096 1068706544 /nfs/dbraw/zinc/70/65/44/1068706544.db2.gz ULJHSRHOECVGGA-JOCHJYFZSA-N 2 2 455.603 0.657 20 0 JCADLP CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181597096 1068706529 /nfs/dbraw/zinc/70/65/29/1068706529.db2.gz ULJHSRHOECVGGA-JOCHJYFZSA-N 2 2 455.603 0.657 20 0 JCADLP CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181597097 1068706594 /nfs/dbraw/zinc/70/65/94/1068706594.db2.gz ULJHSRHOECVGGA-QFIPXVFZSA-N 2 2 455.603 0.657 20 0 JCADLP CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181597097 1068706584 /nfs/dbraw/zinc/70/65/84/1068706584.db2.gz ULJHSRHOECVGGA-QFIPXVFZSA-N 2 2 455.603 0.657 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)COCCO)nc2C(N)=O)[nH+]c1C ZINC001181800620 1068712695 /nfs/dbraw/zinc/71/26/95/1068712695.db2.gz WDPDNLXYGACHGP-JKSUJKDBSA-N 2 2 457.535 0.557 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CC2)C1=O ZINC001181855992 1068715362 /nfs/dbraw/zinc/71/53/62/1068715362.db2.gz OFUSJVZUBHSWKF-KRWDZBQOSA-N 2 2 465.595 0.609 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)CC2)C1=O ZINC001181855992 1068715353 /nfs/dbraw/zinc/71/53/53/1068715353.db2.gz OFUSJVZUBHSWKF-KRWDZBQOSA-N 2 2 465.595 0.609 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)CC2)C1=O ZINC001181855995 1068715307 /nfs/dbraw/zinc/71/53/07/1068715307.db2.gz OFUSJVZUBHSWKF-QGZVFWFLSA-N 2 2 465.595 0.609 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)CC2)C1=O ZINC001181855995 1068715304 /nfs/dbraw/zinc/71/53/04/1068715304.db2.gz OFUSJVZUBHSWKF-QGZVFWFLSA-N 2 2 465.595 0.609 20 0 JCADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C3(O)CC[NH+](C)CC3)ccc12 ZINC001182037026 1068722477 /nfs/dbraw/zinc/72/24/77/1068722477.db2.gz RJIDTOKESHDRFY-SFHVURJKSA-N 2 2 453.499 0.947 20 0 JCADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C3(O)CC[NH+](C)CC3)ccc12 ZINC001182037026 1068722459 /nfs/dbraw/zinc/72/24/59/1068722459.db2.gz RJIDTOKESHDRFY-SFHVURJKSA-N 2 2 453.499 0.947 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2)C1=O ZINC001182052797 1068723828 /nfs/dbraw/zinc/72/38/28/1068723828.db2.gz OTNLDNZZEHCJGO-UHFFFAOYSA-N 2 2 456.591 0.456 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2)C1=O ZINC001182052797 1068723820 /nfs/dbraw/zinc/72/38/20/1068723820.db2.gz OTNLDNZZEHCJGO-UHFFFAOYSA-N 2 2 456.591 0.456 20 0 JCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)N(c1ccccc1)S(C)(=O)=O ZINC001182102932 1068729712 /nfs/dbraw/zinc/72/97/12/1068729712.db2.gz VVTHJLFDUOISOM-IBGZPJMESA-N 2 2 479.647 0.538 20 0 JCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)N(c1ccccc1)S(C)(=O)=O ZINC001182102932 1068729706 /nfs/dbraw/zinc/72/97/06/1068729706.db2.gz VVTHJLFDUOISOM-IBGZPJMESA-N 2 2 479.647 0.538 20 0 JCADLP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)N(c1ccccc1)S(C)(=O)=O ZINC001182102946 1068729567 /nfs/dbraw/zinc/72/95/67/1068729567.db2.gz VVTHJLFDUOISOM-LJQANCHMSA-N 2 2 479.647 0.538 20 0 JCADLP C[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)N(c1ccccc1)S(C)(=O)=O ZINC001182102946 1068729558 /nfs/dbraw/zinc/72/95/58/1068729558.db2.gz VVTHJLFDUOISOM-LJQANCHMSA-N 2 2 479.647 0.538 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cn3cc(Cl)c(=O)c(Cl)c3)CC2)C1=O ZINC001182113443 1068725961 /nfs/dbraw/zinc/72/59/61/1068725961.db2.gz XFMWAJOEHRQNTL-UHFFFAOYSA-N 2 2 458.390 0.852 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cn3cc(Cl)c(=O)c(Cl)c3)CC2)C1=O ZINC001182113443 1068725955 /nfs/dbraw/zinc/72/59/55/1068725955.db2.gz XFMWAJOEHRQNTL-UHFFFAOYSA-N 2 2 458.390 0.852 20 0 JCADLP CC(=O)N[C@@H](CCO)C(=O)n1nc(C(N)=O)c(Nc2ccc(C)c(C)[nH+]2)cc1=N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001182139620 1068731998 /nfs/dbraw/zinc/73/19/98/1068731998.db2.gz SZCKPCORECSLCT-KSZLIROESA-N 2 2 498.588 0.435 20 0 JCADLP CC(=O)N[C@H](CCO)C(=O)n1nc(C(N)=O)c(Nc2ccc(C)c(C)[nH+]2)cc1=N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001182139626 1068732189 /nfs/dbraw/zinc/73/21/89/1068732189.db2.gz SZCKPCORECSLCT-RCCFBDPRSA-N 2 2 498.588 0.435 20 0 JCADLP COc1ccccc1C(=O)N1CC(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001182224944 1068741946 /nfs/dbraw/zinc/74/19/46/1068741946.db2.gz DEYZLZCTLJOZTF-UHFFFAOYSA-N 2 2 471.602 0.464 20 0 JCADLP COc1ccccc1C(=O)N1CC(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001182224944 1068741933 /nfs/dbraw/zinc/74/19/33/1068741933.db2.gz DEYZLZCTLJOZTF-UHFFFAOYSA-N 2 2 471.602 0.464 20 0 JCADLP CCCC[N@@H+](CC)[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001182238028 1068742799 /nfs/dbraw/zinc/74/27/99/1068742799.db2.gz ZTQPLAJJTXKVHK-AXKRAVOISA-N 2 2 499.572 0.257 20 0 JCADLP CCCC[N@H+](CC)[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001182238028 1068742788 /nfs/dbraw/zinc/74/27/88/1068742788.db2.gz ZTQPLAJJTXKVHK-AXKRAVOISA-N 2 2 499.572 0.257 20 0 JCADLP CCCC[N@@H+](CC)[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001182238029 1068743681 /nfs/dbraw/zinc/74/36/81/1068743681.db2.gz ZTQPLAJJTXKVHK-FIEZJVDUSA-N 2 2 499.572 0.257 20 0 JCADLP CCCC[N@H+](CC)[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001182238029 1068743677 /nfs/dbraw/zinc/74/36/77/1068743677.db2.gz ZTQPLAJJTXKVHK-FIEZJVDUSA-N 2 2 499.572 0.257 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COc3ccc(Cl)cc3CO)CC2)C1=O ZINC001182306492 1068745449 /nfs/dbraw/zinc/74/54/49/1068745449.db2.gz ATMMEHXRBSAHED-UHFFFAOYSA-N 2 2 452.983 0.908 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COc3ccc(Cl)cc3CO)CC2)C1=O ZINC001182306492 1068745439 /nfs/dbraw/zinc/74/54/39/1068745439.db2.gz ATMMEHXRBSAHED-UHFFFAOYSA-N 2 2 452.983 0.908 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3C[C@H]3C(N)=O)nc2C(N)=O)[nH+]c1C ZINC001182383550 1068747634 /nfs/dbraw/zinc/74/76/34/1068747634.db2.gz CQUZJMKUQLWJKE-FXUDXRNXSA-N 2 2 466.546 0.670 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3C[C@H]3C(N)=O)nc2C(N)=O)[nH+]c1C ZINC001182383562 1068747521 /nfs/dbraw/zinc/74/75/21/1068747521.db2.gz CQUZJMKUQLWJKE-LVQVYYBASA-N 2 2 466.546 0.670 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3C[C@@H]3C(N)=O)nc2C(N)=O)[nH+]c1C ZINC001182383563 1068747719 /nfs/dbraw/zinc/74/77/19/1068747719.db2.gz CQUZJMKUQLWJKE-XUWVNRHRSA-N 2 2 466.546 0.670 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3C[C@@H]3C(N)=O)nc2C(N)=O)[nH+]c1C ZINC001182383564 1068747704 /nfs/dbraw/zinc/74/77/04/1068747704.db2.gz CQUZJMKUQLWJKE-YHUYYLMFSA-N 2 2 466.546 0.670 20 0 JCADLP Cn1c2ccc(NC(=O)CCC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)nc2n(C)c1=O ZINC001182511362 1068755133 /nfs/dbraw/zinc/75/51/33/1068755133.db2.gz XOXYPWZXEKFTHF-UHFFFAOYSA-N 2 2 457.579 0.666 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)C1=O ZINC001182537963 1068759008 /nfs/dbraw/zinc/75/90/08/1068759008.db2.gz MZBLCDCJDZDYIO-IBGZPJMESA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)C1=O ZINC001182537963 1068759000 /nfs/dbraw/zinc/75/90/00/1068759000.db2.gz MZBLCDCJDZDYIO-IBGZPJMESA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)CC2)C1=O ZINC001182563262 1068762761 /nfs/dbraw/zinc/76/27/61/1068762761.db2.gz QKVANNKMLMQJBO-MXVIHJGJSA-N 2 2 473.618 0.415 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)CC2)C1=O ZINC001182563262 1068762755 /nfs/dbraw/zinc/76/27/55/1068762755.db2.gz QKVANNKMLMQJBO-MXVIHJGJSA-N 2 2 473.618 0.415 20 0 JCADLP CC(C)N(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)S(=O)(=O)c1ccccc1 ZINC001182600607 1068767713 /nfs/dbraw/zinc/76/77/13/1068767713.db2.gz UKXGCWRZYURDCN-UHFFFAOYSA-N 2 2 493.674 0.783 20 0 JCADLP CC(C)N(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)S(=O)(=O)c1ccccc1 ZINC001182600607 1068767704 /nfs/dbraw/zinc/76/77/04/1068767704.db2.gz UKXGCWRZYURDCN-UHFFFAOYSA-N 2 2 493.674 0.783 20 0 JCADLP CON(CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)C(=O)OC(C)(C)C ZINC001182622684 1068764796 /nfs/dbraw/zinc/76/47/96/1068764796.db2.gz UJSUXTPCSFESJM-UHFFFAOYSA-N 2 2 455.600 0.872 20 0 JCADLP CON(CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)C(=O)OC(C)(C)C ZINC001182622684 1068764783 /nfs/dbraw/zinc/76/47/83/1068764783.db2.gz UJSUXTPCSFESJM-UHFFFAOYSA-N 2 2 455.600 0.872 20 0 JCADLP CC(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182766567 1068774356 /nfs/dbraw/zinc/77/43/56/1068774356.db2.gz LYBWRFQGAFQVHB-JOCHJYFZSA-N 2 2 457.619 0.821 20 0 JCADLP CC(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182766567 1068774348 /nfs/dbraw/zinc/77/43/48/1068774348.db2.gz LYBWRFQGAFQVHB-JOCHJYFZSA-N 2 2 457.619 0.821 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C3CS(=O)(=O)C3)nc2C(N)=O)[nH+]c1C ZINC001182814993 1068776278 /nfs/dbraw/zinc/77/62/78/1068776278.db2.gz DPGDFJXOXQKVPF-JKSUJKDBSA-N 2 2 487.586 0.593 20 0 JCADLP C[C@@H](O)[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)N(C)C(=O)OC(C)(C)C ZINC001182957546 1068790906 /nfs/dbraw/zinc/79/09/06/1068790906.db2.gz UQXMJFCZWCJHCL-MSOLQXFVSA-N 2 2 469.627 0.300 20 0 JCADLP C[C@@H](O)[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)N(C)C(=O)OC(C)(C)C ZINC001182957546 1068790904 /nfs/dbraw/zinc/79/09/04/1068790904.db2.gz UQXMJFCZWCJHCL-MSOLQXFVSA-N 2 2 469.627 0.300 20 0 JCADLP C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182962741 1068792481 /nfs/dbraw/zinc/79/24/81/1068792481.db2.gz SIFUWIQQQGRXPG-IBGZPJMESA-N 2 2 479.647 0.191 20 0 JCADLP C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182962741 1068792474 /nfs/dbraw/zinc/79/24/74/1068792474.db2.gz SIFUWIQQQGRXPG-IBGZPJMESA-N 2 2 479.647 0.191 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3CCNC3=O)nc2C(N)=O)[nH+]c1C ZINC001183031282 1068808412 /nfs/dbraw/zinc/80/84/12/1068808412.db2.gz LXYLHVZPZLSYRM-HRCADAONSA-N 2 2 466.546 0.684 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3CCNC3=O)nc2C(N)=O)[nH+]c1C ZINC001183031283 1068808208 /nfs/dbraw/zinc/80/82/08/1068808208.db2.gz LXYLHVZPZLSYRM-OWCLPIDISA-N 2 2 466.546 0.684 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)CO3)CC2)C1=O ZINC001183042296 1068809108 /nfs/dbraw/zinc/80/91/08/1068809108.db2.gz SDRSMYSCWNTZJV-MOPGFXCFSA-N 2 2 481.638 0.756 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)CO3)CC2)C1=O ZINC001183042296 1068809097 /nfs/dbraw/zinc/80/90/97/1068809097.db2.gz SDRSMYSCWNTZJV-MOPGFXCFSA-N 2 2 481.638 0.756 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(O)c3cn(C)c(=O)[nH]3)nc2C(N)=O)[nH+]c1C ZINC001183077583 1068810849 /nfs/dbraw/zinc/81/08/49/1068810849.db2.gz OUJYRXGABYQYNS-UXLLHSPISA-N 2 2 481.561 0.572 20 0 JCADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1 ZINC001183223606 1068829991 /nfs/dbraw/zinc/82/99/91/1068829991.db2.gz WIGRLOYNAMLAAY-IBGZPJMESA-N 2 2 479.647 0.359 20 0 JCADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cc1 ZINC001183223606 1068829977 /nfs/dbraw/zinc/82/99/77/1068829977.db2.gz WIGRLOYNAMLAAY-IBGZPJMESA-N 2 2 479.647 0.359 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCn3cc(Br)ccc3=O)CC2)C1=O ZINC001183224488 1068830832 /nfs/dbraw/zinc/83/08/32/1068830832.db2.gz GGFVNKFYLHVUQJ-UHFFFAOYSA-N 2 2 482.423 0.698 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCn3cc(Br)ccc3=O)CC2)C1=O ZINC001183224488 1068830817 /nfs/dbraw/zinc/83/08/17/1068830817.db2.gz GGFVNKFYLHVUQJ-UHFFFAOYSA-N 2 2 482.423 0.698 20 0 JCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001183373200 1068840596 /nfs/dbraw/zinc/84/05/96/1068840596.db2.gz WEJJGMOPZCERSN-YRPNKDGESA-N 2 2 491.587 0.776 20 0 JCADLP CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183452718 1068849386 /nfs/dbraw/zinc/84/93/86/1068849386.db2.gz VGSJGWURUHHVAC-OAQYLSRUSA-N 2 2 483.617 0.307 20 0 JCADLP CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183452718 1068849378 /nfs/dbraw/zinc/84/93/78/1068849378.db2.gz VGSJGWURUHHVAC-OAQYLSRUSA-N 2 2 483.617 0.307 20 0 JCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001183511404 1068858401 /nfs/dbraw/zinc/85/84/01/1068858401.db2.gz NIRIMXIIEKMJLG-FQEVSTJZSA-N 2 2 454.641 0.566 20 0 JCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001183511405 1068858338 /nfs/dbraw/zinc/85/83/38/1068858338.db2.gz NIRIMXIIEKMJLG-HXUWFJFHSA-N 2 2 454.641 0.566 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CC2)C1=O ZINC001183528301 1068857322 /nfs/dbraw/zinc/85/73/22/1068857322.db2.gz ZMJRPCHQQHLQEZ-UHFFFAOYSA-N 2 2 469.586 0.298 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCN3C(=O)Cc4ccccc4C3=O)CC2)C1=O ZINC001183528301 1068857316 /nfs/dbraw/zinc/85/73/16/1068857316.db2.gz ZMJRPCHQQHLQEZ-UHFFFAOYSA-N 2 2 469.586 0.298 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]3(C)COCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001183632289 1068864502 /nfs/dbraw/zinc/86/45/02/1068864502.db2.gz WYLZAUNSXOUXGY-HSZRJFAPSA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]3(C)COCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001183632289 1068864490 /nfs/dbraw/zinc/86/44/90/1068864490.db2.gz WYLZAUNSXOUXGY-HSZRJFAPSA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]3(C)COCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001183632290 1068864442 /nfs/dbraw/zinc/86/44/42/1068864442.db2.gz WYLZAUNSXOUXGY-QHCPKHFHSA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]3(C)COCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001183632290 1068864432 /nfs/dbraw/zinc/86/44/32/1068864432.db2.gz WYLZAUNSXOUXGY-QHCPKHFHSA-N 2 2 481.638 0.709 20 0 JCADLP CC(=O)N[C@H](C(=O)n1nc(C(N)=O)c(Nc2ccc(C)c(C)[nH+]2)cc1=N[C@@H]1CCCC[C@@H]1[NH3+])[C@@H](C)O ZINC001183702216 1068867959 /nfs/dbraw/zinc/86/79/59/1068867959.db2.gz BGMYGJIXMPQMHE-GAYYXQCQSA-N 2 2 498.588 0.434 20 0 JCADLP C[N@@H+](CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183813520 1068883175 /nfs/dbraw/zinc/88/31/75/1068883175.db2.gz VBFWXZVAQPMPIL-HNNXBMFYSA-N 2 2 485.607 0.940 20 0 JCADLP C[N@H+](CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183813520 1068883154 /nfs/dbraw/zinc/88/31/54/1068883154.db2.gz VBFWXZVAQPMPIL-HNNXBMFYSA-N 2 2 485.607 0.940 20 0 JCADLP C[N@@H+](CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183813522 1068883243 /nfs/dbraw/zinc/88/32/43/1068883243.db2.gz VBFWXZVAQPMPIL-OAHLLOKOSA-N 2 2 485.607 0.940 20 0 JCADLP C[N@H+](CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183813522 1068883234 /nfs/dbraw/zinc/88/32/34/1068883234.db2.gz VBFWXZVAQPMPIL-OAHLLOKOSA-N 2 2 485.607 0.940 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@@H]3COCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001183857994 1068887044 /nfs/dbraw/zinc/88/70/44/1068887044.db2.gz YORLWOJEQFZNDF-LJQANCHMSA-N 2 2 481.638 0.709 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@@H]3COCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC001183857994 1068887038 /nfs/dbraw/zinc/88/70/38/1068887038.db2.gz YORLWOJEQFZNDF-LJQANCHMSA-N 2 2 481.638 0.709 20 0 JCADLP CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)[C@@H](C)OC(C)(C)C ZINC001183952770 1068894766 /nfs/dbraw/zinc/89/47/66/1068894766.db2.gz CELQTIFOCWKGBB-MJGOQNOKSA-N 2 2 453.628 0.392 20 0 JCADLP CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)[C@@H](C)OC(C)(C)C ZINC001183952770 1068894759 /nfs/dbraw/zinc/89/47/59/1068894759.db2.gz CELQTIFOCWKGBB-MJGOQNOKSA-N 2 2 453.628 0.392 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cccc(NS(C)(=O)=O)c3)CC2)C1=O ZINC001184011300 1068899258 /nfs/dbraw/zinc/89/92/58/1068899258.db2.gz XMZPPBRYEOWJFB-UHFFFAOYSA-N 2 2 465.620 0.297 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cccc(NS(C)(=O)=O)c3)CC2)C1=O ZINC001184011300 1068899248 /nfs/dbraw/zinc/89/92/48/1068899248.db2.gz XMZPPBRYEOWJFB-UHFFFAOYSA-N 2 2 465.620 0.297 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3COCCN3Cc3ccccc3)CC2)C1=O ZINC001184016719 1068896975 /nfs/dbraw/zinc/89/69/75/1068896975.db2.gz ZQKUDPLXYHBHID-JOCHJYFZSA-N 2 2 457.619 0.584 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3COCCN3Cc3ccccc3)CC2)C1=O ZINC001184016719 1068896969 /nfs/dbraw/zinc/89/69/69/1068896969.db2.gz ZQKUDPLXYHBHID-JOCHJYFZSA-N 2 2 457.619 0.584 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)C3(CO)COC3)nc2C(N)=O)[nH+]c1C ZINC001184048106 1068901813 /nfs/dbraw/zinc/90/18/13/1068901813.db2.gz ZNOLPRQIRWVCBQ-JKSUJKDBSA-N 2 2 469.546 0.557 20 0 JCADLP CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001184177712 1068907194 /nfs/dbraw/zinc/90/71/94/1068907194.db2.gz RZSFILRKQMPMKD-KRWDZBQOSA-N 2 2 455.600 0.223 20 0 JCADLP CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001184177712 1068907183 /nfs/dbraw/zinc/90/71/83/1068907183.db2.gz RZSFILRKQMPMKD-KRWDZBQOSA-N 2 2 455.600 0.223 20 0 JCADLP COc1ccc(C2(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@@H+]4C)CC(O)C2)cc1 ZINC001184183271 1068907872 /nfs/dbraw/zinc/90/78/72/1068907872.db2.gz CRLWXFWRHILOEV-UHFFFAOYSA-N 2 2 458.603 0.785 20 0 JCADLP COc1ccc(C2(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@H+]4C)CC(O)C2)cc1 ZINC001184183271 1068907868 /nfs/dbraw/zinc/90/78/68/1068907868.db2.gz CRLWXFWRHILOEV-UHFFFAOYSA-N 2 2 458.603 0.785 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cc(=O)oc4cc5c(cc34)OCO5)CC2)C1=O ZINC001184226851 1068909702 /nfs/dbraw/zinc/90/97/02/1068909702.db2.gz MIFUPXIQQQQIOO-UHFFFAOYSA-N 2 2 484.553 0.761 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cc(=O)oc4cc5c(cc34)OCO5)CC2)C1=O ZINC001184226851 1068909694 /nfs/dbraw/zinc/90/96/94/1068909694.db2.gz MIFUPXIQQQQIOO-UHFFFAOYSA-N 2 2 484.553 0.761 20 0 JCADLP CN(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)S(=O)(=O)c1ccccc1 ZINC001184409270 1068924135 /nfs/dbraw/zinc/92/41/35/1068924135.db2.gz JSNVOMLMZMRJCV-UHFFFAOYSA-N 2 2 465.620 0.004 20 0 JCADLP CN(CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)S(=O)(=O)c1ccccc1 ZINC001184409270 1068924128 /nfs/dbraw/zinc/92/41/28/1068924128.db2.gz JSNVOMLMZMRJCV-UHFFFAOYSA-N 2 2 465.620 0.004 20 0 JCADLP Cc1nc(I)oc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001184631753 1068939817 /nfs/dbraw/zinc/93/98/17/1068939817.db2.gz IXYLWZSMYGUYKY-UHFFFAOYSA-N 2 2 489.358 0.898 20 0 JCADLP Cc1nc(I)oc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001184631753 1068939808 /nfs/dbraw/zinc/93/98/08/1068939808.db2.gz IXYLWZSMYGUYKY-UHFFFAOYSA-N 2 2 489.358 0.898 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001185241036 1068965790 /nfs/dbraw/zinc/96/57/90/1068965790.db2.gz PMCKULLCOLIFHC-AZBUITMMSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001185241036 1068965782 /nfs/dbraw/zinc/96/57/82/1068965782.db2.gz PMCKULLCOLIFHC-AZBUITMMSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001185241043 1068966598 /nfs/dbraw/zinc/96/65/98/1068966598.db2.gz PMCKULLCOLIFHC-JFKSFQQQSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001185241043 1068966587 /nfs/dbraw/zinc/96/65/87/1068966587.db2.gz PMCKULLCOLIFHC-JFKSFQQQSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001185241045 1068966805 /nfs/dbraw/zinc/96/68/05/1068966805.db2.gz PMCKULLCOLIFHC-JSFPSQRZSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)[C@H](O)OC(C)(C)C)C1 ZINC001185241045 1068966795 /nfs/dbraw/zinc/96/67/95/1068966795.db2.gz PMCKULLCOLIFHC-JSFPSQRZSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001185241046 1068966330 /nfs/dbraw/zinc/96/63/30/1068966330.db2.gz PMCKULLCOLIFHC-KESUXUJOSA-N 3 2 480.650 0.775 20 0 JCADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)[C@@H](O)OC(C)(C)C)C1 ZINC001185241046 1068966321 /nfs/dbraw/zinc/96/63/21/1068966321.db2.gz PMCKULLCOLIFHC-KESUXUJOSA-N 3 2 480.650 0.775 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3C[N@H+](C)CCN3C)nc2C(N)=O)[nH+]c1C ZINC001185267385 1068968382 /nfs/dbraw/zinc/96/83/82/1068968382.db2.gz SPSVZMURAKMDQD-NLWGTHIKSA-N 3 2 495.632 0.794 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@H]3C[N@@H+](C)CCN3C)nc2C(N)=O)[nH+]c1C ZINC001185267385 1068968371 /nfs/dbraw/zinc/96/83/71/1068968371.db2.gz SPSVZMURAKMDQD-NLWGTHIKSA-N 3 2 495.632 0.794 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3C[N@H+](C)CCN3C)nc2C(N)=O)[nH+]c1C ZINC001185267386 1068968735 /nfs/dbraw/zinc/96/87/35/1068968735.db2.gz SPSVZMURAKMDQD-NSHGMRRFSA-N 3 2 495.632 0.794 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)[C@@H]3C[N@@H+](C)CCN3C)nc2C(N)=O)[nH+]c1C ZINC001185267386 1068968722 /nfs/dbraw/zinc/96/87/22/1068968722.db2.gz SPSVZMURAKMDQD-NSHGMRRFSA-N 3 2 495.632 0.794 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)C1=O ZINC001185600886 1069005739 /nfs/dbraw/zinc/00/57/39/1069005739.db2.gz IJPXLAMDKOZYDE-QFIPXVFZSA-N 2 2 469.630 0.917 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)C1=O ZINC001185600886 1069005729 /nfs/dbraw/zinc/00/57/29/1069005729.db2.gz IJPXLAMDKOZYDE-QFIPXVFZSA-N 2 2 469.630 0.917 20 0 JCADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)C[N@H+]1CC[C@H](C(=O)OC)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001186116746 1069075414 /nfs/dbraw/zinc/07/54/14/1069075414.db2.gz LZFMDFNMZLDUTF-HKUYNNGSSA-N 2 2 483.587 0.678 20 0 JCADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001186116746 1069075410 /nfs/dbraw/zinc/07/54/10/1069075410.db2.gz LZFMDFNMZLDUTF-HKUYNNGSSA-N 2 2 483.587 0.678 20 0 JCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CC2([NH3+])CCCCC2)S(=O)(=O)c2c(C)noc2C)C1 ZINC001186119794 1069076173 /nfs/dbraw/zinc/07/61/73/1069076173.db2.gz WVVZUVHGLDGQGI-INIZCTEOSA-N 2 2 456.565 0.965 20 0 JCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N(CC2([NH3+])CCCCC2)S(=O)(=O)c2c(C)noc2C)C1 ZINC001186119794 1069076169 /nfs/dbraw/zinc/07/61/69/1069076169.db2.gz WVVZUVHGLDGQGI-INIZCTEOSA-N 2 2 456.565 0.965 20 0 JCADLP CCCCOC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)C1CC1 ZINC001186289896 1069087670 /nfs/dbraw/zinc/08/76/70/1069087670.db2.gz QCERMAVNMKSMSD-IBGZPJMESA-N 2 2 451.612 0.988 20 0 JCADLP CCCCOC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)C1CC1 ZINC001186289896 1069087667 /nfs/dbraw/zinc/08/76/67/1069087667.db2.gz QCERMAVNMKSMSD-IBGZPJMESA-N 2 2 451.612 0.988 20 0 JCADLP CCCCOC(=O)N[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)C1CC1 ZINC001186289897 1069087652 /nfs/dbraw/zinc/08/76/52/1069087652.db2.gz QCERMAVNMKSMSD-LJQANCHMSA-N 2 2 451.612 0.988 20 0 JCADLP CCCCOC(=O)N[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)C1CC1 ZINC001186289897 1069087647 /nfs/dbraw/zinc/08/76/47/1069087647.db2.gz QCERMAVNMKSMSD-LJQANCHMSA-N 2 2 451.612 0.988 20 0 JCADLP C[N@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001186354385 1069089656 /nfs/dbraw/zinc/08/96/56/1069089656.db2.gz HNORFBZSYMRSLZ-UFYCRDLUSA-N 2 2 491.587 0.778 20 0 JCADLP C[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 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JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3[nH]ncc3I)CC2)C1=O ZINC001189128254 1069306427 /nfs/dbraw/zinc/30/64/27/1069306427.db2.gz AOFMJCVYQVVVBF-UHFFFAOYSA-N 2 2 474.347 0.325 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3[nH]ncc3I)CC2)C1=O ZINC001189128254 1069306417 /nfs/dbraw/zinc/30/64/17/1069306417.db2.gz AOFMJCVYQVVVBF-UHFFFAOYSA-N 2 2 474.347 0.325 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3cn[nH]n3)nc2C(N)=O)[nH+]c1C ZINC001189354990 1069315240 /nfs/dbraw/zinc/31/52/40/1069315240.db2.gz ICFBYGDLPHBQNY-UONOGXRCSA-N 2 2 450.507 0.715 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3ccc(=O)n(C)n3)nc2C(N)=O)[nH+]c1C ZINC001189498001 1069318959 /nfs/dbraw/zinc/31/89/59/1069318959.db2.gz KAOFXNPVZNJPHY-JKSUJKDBSA-N 2 2 491.556 0.690 20 0 JCADLP COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001189815625 1069331948 /nfs/dbraw/zinc/33/19/48/1069331948.db2.gz VFHNSZHMXBMZSM-FQEVSTJZSA-N 2 2 459.591 0.651 20 0 JCADLP COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001189815625 1069331937 /nfs/dbraw/zinc/33/19/37/1069331937.db2.gz VFHNSZHMXBMZSM-FQEVSTJZSA-N 2 2 459.591 0.651 20 0 JCADLP CCOC(=O)CC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)C(=O)OCC ZINC001190453379 1069362164 /nfs/dbraw/zinc/36/21/64/1069362164.db2.gz ZEWMQIQPFDNBQY-SFHVURJKSA-N 2 2 483.610 0.141 20 0 JCADLP CCOC(=O)CC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)C(=O)OCC ZINC001190453379 1069362152 /nfs/dbraw/zinc/36/21/52/1069362152.db2.gz ZEWMQIQPFDNBQY-SFHVURJKSA-N 2 2 483.610 0.141 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)C1=O ZINC001190477640 1069357133 /nfs/dbraw/zinc/35/71/33/1069357133.db2.gz NZEGIJUJVUUDPJ-UHFFFAOYSA-N 2 2 454.369 0.860 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)C1=O ZINC001190477640 1069357116 /nfs/dbraw/zinc/35/71/16/1069357116.db2.gz NZEGIJUJVUUDPJ-UHFFFAOYSA-N 2 2 454.369 0.860 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(-c4ccccn4)[nH]c3=O)CC2)C1=O ZINC001190620137 1069367937 /nfs/dbraw/zinc/36/79/37/1069367937.db2.gz NETQVODIRHJQIZ-UHFFFAOYSA-N 2 2 453.547 0.555 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(-c4ccccn4)[nH]c3=O)CC2)C1=O ZINC001190620137 1069367924 /nfs/dbraw/zinc/36/79/24/1069367924.db2.gz NETQVODIRHJQIZ-UHFFFAOYSA-N 2 2 453.547 0.555 20 0 JCADLP Cn1cc(Br)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1=O ZINC001191196055 1069396746 /nfs/dbraw/zinc/39/67/46/1069396746.db2.gz XIPCXDIMHISVCR-UHFFFAOYSA-N 2 2 468.396 0.458 20 0 JCADLP Cn1cc(Br)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1=O ZINC001191196055 1069396732 /nfs/dbraw/zinc/39/67/32/1069396732.db2.gz XIPCXDIMHISVCR-UHFFFAOYSA-N 2 2 468.396 0.458 20 0 JCADLP Cc1ncc(Br)c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001191234944 1069399178 /nfs/dbraw/zinc/39/91/78/1069399178.db2.gz KVSNPTPINWYFCF-UHFFFAOYSA-N 2 2 453.385 0.858 20 0 JCADLP Cc1ncc(Br)c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001191234944 1069399165 /nfs/dbraw/zinc/39/91/65/1069399165.db2.gz KVSNPTPINWYFCF-UHFFFAOYSA-N 2 2 453.385 0.858 20 0 JCADLP CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1 ZINC001191303691 1069400869 /nfs/dbraw/zinc/40/08/69/1069400869.db2.gz OLCMYDBPLPHRAX-UHFFFAOYSA-N 2 2 472.590 0.914 20 0 JCADLP CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1 ZINC001191303691 1069400866 /nfs/dbraw/zinc/40/08/66/1069400866.db2.gz OLCMYDBPLPHRAX-UHFFFAOYSA-N 2 2 472.590 0.914 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3ncc[nH]c3=O)nc2C(N)=O)[nH+]c1C ZINC001191516532 1069412247 /nfs/dbraw/zinc/41/22/47/1069412247.db2.gz DPFILCBXXHDVAR-LSDHHAIUSA-N 2 2 477.529 0.680 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nccnc3I)CC2)C1=O ZINC001191527648 1069413420 /nfs/dbraw/zinc/41/34/20/1069413420.db2.gz FLFCRNUQQQVCSE-UHFFFAOYSA-N 2 2 486.358 0.392 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nccnc3I)CC2)C1=O ZINC001191527648 1069413416 /nfs/dbraw/zinc/41/34/16/1069413416.db2.gz FLFCRNUQQQVCSE-UHFFFAOYSA-N 2 2 486.358 0.392 20 0 JCADLP Cc1c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c(=O)n(-c2ccccc2)n1C ZINC001191670515 1069422468 /nfs/dbraw/zinc/42/24/68/1069422468.db2.gz YDZSLCKYOOZNHP-UHFFFAOYSA-N 2 2 468.602 0.795 20 0 JCADLP Cc1c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c(=O)n(-c2ccccc2)n1C ZINC001191670515 1069422457 /nfs/dbraw/zinc/42/24/57/1069422457.db2.gz YDZSLCKYOOZNHP-UHFFFAOYSA-N 2 2 468.602 0.795 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ncccc3I)CC2)C1=O ZINC001191687790 1069425540 /nfs/dbraw/zinc/42/55/40/1069425540.db2.gz QTGCKIDFEKKUNI-UHFFFAOYSA-N 2 2 485.370 0.997 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ncccc3I)CC2)C1=O ZINC001191687790 1069425537 /nfs/dbraw/zinc/42/55/37/1069425537.db2.gz QTGCKIDFEKKUNI-UHFFFAOYSA-N 2 2 485.370 0.997 20 0 JCADLP COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001191880374 1069430973 /nfs/dbraw/zinc/43/09/73/1069430973.db2.gz PEBXZJCGEBMVDK-KRWDZBQOSA-N 2 2 455.600 0.223 20 0 JCADLP COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001191880374 1069430968 /nfs/dbraw/zinc/43/09/68/1069430968.db2.gz PEBXZJCGEBMVDK-KRWDZBQOSA-N 2 2 455.600 0.223 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3ncon3)nc2C(N)=O)[nH+]c1C ZINC001192028289 1069437168 /nfs/dbraw/zinc/43/71/68/1069437168.db2.gz NEEMRIOSEJOZSJ-UONOGXRCSA-N 2 2 451.491 0.980 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NCc3cc(=O)oc4cc5c(cc34)OCO5)CC2)C1=O ZINC001192085535 1069439667 /nfs/dbraw/zinc/43/96/67/1069439667.db2.gz PVMQLXJSCJUYGK-UHFFFAOYSA-N 2 2 499.568 0.902 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NCc3cc(=O)oc4cc5c(cc34)OCO5)CC2)C1=O ZINC001192085535 1069439653 /nfs/dbraw/zinc/43/96/53/1069439653.db2.gz PVMQLXJSCJUYGK-UHFFFAOYSA-N 2 2 499.568 0.902 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccnc3OC3CCOCC3)CC2)C1=O ZINC001192142409 1069444083 /nfs/dbraw/zinc/44/40/83/1069444083.db2.gz RYMYIUPWBDVQCY-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccnc3OC3CCOCC3)CC2)C1=O ZINC001192142409 1069444079 /nfs/dbraw/zinc/44/40/79/1069444079.db2.gz RYMYIUPWBDVQCY-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP Cc1cc(N2CCN(C(=O)C[N@@H+](C)C3CCN(S(C)(=O)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001192185598 1069444736 /nfs/dbraw/zinc/44/47/36/1069444736.db2.gz YHKGTOUJPUSQFP-UHFFFAOYSA-N 2 2 452.625 0.913 20 0 JCADLP Cc1cc(N2CCN(C(=O)C[N@H+](C)C3CCN(S(C)(=O)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001192185598 1069444731 /nfs/dbraw/zinc/44/47/31/1069444731.db2.gz YHKGTOUJPUSQFP-UHFFFAOYSA-N 2 2 452.625 0.913 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(OC4CCOCC4)n3)CC2)C1=O ZINC001192329612 1069450003 /nfs/dbraw/zinc/45/00/03/1069450003.db2.gz HGVRXSADLZGQHE-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(OC4CCOCC4)n3)CC2)C1=O ZINC001192329612 1069449992 /nfs/dbraw/zinc/44/99/92/1069449992.db2.gz HGVRXSADLZGQHE-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001192428379 1069454102 /nfs/dbraw/zinc/45/41/02/1069454102.db2.gz TWVBIELYIBWRSO-FQEVSTJZSA-N 2 2 457.623 0.971 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001192428379 1069454096 /nfs/dbraw/zinc/45/40/96/1069454096.db2.gz TWVBIELYIBWRSO-FQEVSTJZSA-N 2 2 457.623 0.971 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001192428382 1069453937 /nfs/dbraw/zinc/45/39/37/1069453937.db2.gz TWVBIELYIBWRSO-HXUWFJFHSA-N 2 2 457.623 0.971 20 0 JCADLP Cc1cc(N2CCN(C(=O)CN3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001192428382 1069453922 /nfs/dbraw/zinc/45/39/22/1069453922.db2.gz TWVBIELYIBWRSO-HXUWFJFHSA-N 2 2 457.623 0.971 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Nc3ccc(N4C(=O)C=CC4=O)cc3)CC2)C1=O ZINC001192576459 1069459143 /nfs/dbraw/zinc/45/91/43/1069459143.db2.gz CUFCTJRSRWGKPP-UHFFFAOYSA-N 2 2 468.558 0.818 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Nc3ccc(N4C(=O)C=CC4=O)cc3)CC2)C1=O ZINC001192576459 1069459129 /nfs/dbraw/zinc/45/91/29/1069459129.db2.gz CUFCTJRSRWGKPP-UHFFFAOYSA-N 2 2 468.558 0.818 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nnn(-c4ccccc4Cl)n3)CC2)C1=O ZINC001193048166 1069482398 /nfs/dbraw/zinc/48/23/98/1069482398.db2.gz DLFVOTRSJUPCRT-UHFFFAOYSA-N 2 2 460.970 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nnn(-c4ccccc4Cl)n3)CC2)C1=O ZINC001193048166 1069482395 /nfs/dbraw/zinc/48/23/95/1069482395.db2.gz DLFVOTRSJUPCRT-UHFFFAOYSA-N 2 2 460.970 0.626 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3cnnn3C)nc2C(N)=O)[nH+]c1C ZINC001193138061 1069487633 /nfs/dbraw/zinc/48/76/33/1069487633.db2.gz YDBQKEMPEYTWLN-LSDHHAIUSA-N 2 2 464.534 0.725 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(S(=O)(=O)C4CC4)cc3)CC2)C1=O ZINC001193140012 1069487541 /nfs/dbraw/zinc/48/75/41/1069487541.db2.gz QDNMPZAZXKRDAL-UHFFFAOYSA-N 2 2 462.616 0.933 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(S(=O)(=O)C4CC4)cc3)CC2)C1=O ZINC001193140012 1069487538 /nfs/dbraw/zinc/48/75/38/1069487538.db2.gz QDNMPZAZXKRDAL-UHFFFAOYSA-N 2 2 462.616 0.933 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(Br)c(=O)[nH]3)CC2)C1=O ZINC001193151032 1069488105 /nfs/dbraw/zinc/48/81/05/1069488105.db2.gz RXTQGVHCVQZHFQ-UHFFFAOYSA-N 2 2 454.369 0.860 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(Br)c(=O)[nH]3)CC2)C1=O ZINC001193151032 1069488097 /nfs/dbraw/zinc/48/80/97/1069488097.db2.gz RXTQGVHCVQZHFQ-UHFFFAOYSA-N 2 2 454.369 0.860 20 0 JCADLP CCOC(=O)[C@H](CCSC)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001193203254 1069489551 /nfs/dbraw/zinc/48/95/51/1069489551.db2.gz LTBQKIGAGUCJLD-KRWDZBQOSA-N 2 2 457.641 0.551 20 0 JCADLP CCOC(=O)[C@H](CCSC)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001193203254 1069489546 /nfs/dbraw/zinc/48/95/46/1069489546.db2.gz LTBQKIGAGUCJLD-KRWDZBQOSA-N 2 2 457.641 0.551 20 0 JCADLP CCOC(=O)[C@@H](CCSC)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001193203255 1069489609 /nfs/dbraw/zinc/48/96/09/1069489609.db2.gz LTBQKIGAGUCJLD-QGZVFWFLSA-N 2 2 457.641 0.551 20 0 JCADLP CCOC(=O)[C@@H](CCSC)NC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001193203255 1069489604 /nfs/dbraw/zinc/48/96/04/1069489604.db2.gz LTBQKIGAGUCJLD-QGZVFWFLSA-N 2 2 457.641 0.551 20 0 JCADLP Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001193586565 1069509601 /nfs/dbraw/zinc/50/96/01/1069509601.db2.gz WODLKTHWWJIHHP-UHFFFAOYSA-N 2 2 495.646 0.683 20 0 JCADLP Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001193586565 1069509592 /nfs/dbraw/zinc/50/95/92/1069509592.db2.gz WODLKTHWWJIHHP-UHFFFAOYSA-N 2 2 495.646 0.683 20 0 JCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193939550 1069520261 /nfs/dbraw/zinc/52/02/61/1069520261.db2.gz HQCNDPSHOHQLHX-NRFANRHFSA-N 2 2 483.617 0.655 20 0 JCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)C2 ZINC001193939551 1069520385 /nfs/dbraw/zinc/52/03/85/1069520385.db2.gz HQCNDPSHOHQLHX-OAQYLSRUSA-N 2 2 483.617 0.655 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cncc(N4CC[NH+](C)CC4)c3)CC2)C1=O ZINC001193939637 1069520363 /nfs/dbraw/zinc/52/03/63/1069520363.db2.gz KFHFVMDTJPFTMR-UHFFFAOYSA-N 3 2 457.623 0.144 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cncc(N4CC[NH+](C)CC4)c3)CC2)C1=O ZINC001193939637 1069520355 /nfs/dbraw/zinc/52/03/55/1069520355.db2.gz KFHFVMDTJPFTMR-UHFFFAOYSA-N 3 2 457.623 0.144 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cncc(N3CC[NH+](C)CC3)c1)CC2 ZINC001193939893 1069520113 /nfs/dbraw/zinc/52/01/13/1069520113.db2.gz NRRAGRNZBWHWKG-UHFFFAOYSA-N 2 2 466.590 0.153 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(N4CCOCC4)cc3F)CC2)C1=O ZINC001194493378 1069541474 /nfs/dbraw/zinc/54/14/74/1069541474.db2.gz YQBBQSJNONJSAV-UHFFFAOYSA-N 2 2 461.582 0.973 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(N4CCOCC4)cc3F)CC2)C1=O ZINC001194493378 1069541462 /nfs/dbraw/zinc/54/14/62/1069541462.db2.gz YQBBQSJNONJSAV-UHFFFAOYSA-N 2 2 461.582 0.973 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(N3CC[NH+](C)CC3)cc1F)CC2 ZINC001194530885 1069543226 /nfs/dbraw/zinc/54/32/26/1069543226.db2.gz OAZSZRIIGXTFHU-UHFFFAOYSA-N 2 2 483.592 0.897 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3F)CC2)C1=O ZINC001194530990 1069543310 /nfs/dbraw/zinc/54/33/10/1069543310.db2.gz PMWQEYUGNFKTDK-UHFFFAOYSA-N 3 2 474.625 0.888 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3F)CC2)C1=O ZINC001194530990 1069543299 /nfs/dbraw/zinc/54/32/99/1069543299.db2.gz PMWQEYUGNFKTDK-UHFFFAOYSA-N 3 2 474.625 0.888 20 0 JCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001194531649 1069543452 /nfs/dbraw/zinc/54/34/52/1069543452.db2.gz WKAOKCOKBRIMSB-DEOSSOPVSA-N 2 2 461.582 0.878 20 0 JCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001194531649 1069543447 /nfs/dbraw/zinc/54/34/47/1069543447.db2.gz WKAOKCOKBRIMSB-DEOSSOPVSA-N 2 2 461.582 0.878 20 0 JCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001194531650 1069543144 /nfs/dbraw/zinc/54/31/44/1069543144.db2.gz WKAOKCOKBRIMSB-XMMPIXPASA-N 2 2 461.582 0.878 20 0 JCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001194531650 1069543138 /nfs/dbraw/zinc/54/31/38/1069543138.db2.gz WKAOKCOKBRIMSB-XMMPIXPASA-N 2 2 461.582 0.878 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CC2)C1=O ZINC001194745089 1069554631 /nfs/dbraw/zinc/55/46/31/1069554631.db2.gz CPHJDUTUPJEIBI-UHFFFAOYSA-N 2 2 460.970 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(Cl)ccc3-n3cnnn3)CC2)C1=O ZINC001194745089 1069554616 /nfs/dbraw/zinc/55/46/16/1069554616.db2.gz CPHJDUTUPJEIBI-UHFFFAOYSA-N 2 2 460.970 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)C1=O ZINC001194970088 1069565026 /nfs/dbraw/zinc/56/50/26/1069565026.db2.gz VBDYHQRZCWUCIM-UHFFFAOYSA-N 2 2 469.583 0.508 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)C1=O ZINC001194970088 1069565012 /nfs/dbraw/zinc/56/50/12/1069565012.db2.gz VBDYHQRZCWUCIM-UHFFFAOYSA-N 2 2 469.583 0.508 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)C1=O ZINC001195380283 1069582476 /nfs/dbraw/zinc/58/24/76/1069582476.db2.gz QLGBDPUWEHARFP-UHFFFAOYSA-N 2 2 475.544 0.915 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)C1=O ZINC001195380283 1069582468 /nfs/dbraw/zinc/58/24/68/1069582468.db2.gz QLGBDPUWEHARFP-UHFFFAOYSA-N 2 2 475.544 0.915 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)CC2)C1=O ZINC001196113387 1069624236 /nfs/dbraw/zinc/62/42/36/1069624236.db2.gz WOGFUVQHIFNPFL-UHFFFAOYSA-N 2 2 484.576 0.741 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nccn(Cc4ccc(F)cc4)c3=O)CC2)C1=O ZINC001196113387 1069624233 /nfs/dbraw/zinc/62/42/33/1069624233.db2.gz WOGFUVQHIFNPFL-UHFFFAOYSA-N 2 2 484.576 0.741 20 0 JCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001196166506 1069627422 /nfs/dbraw/zinc/62/74/22/1069627422.db2.gz LGZGCSRFZJFAIM-KRWDZBQOSA-N 2 2 455.563 0.551 20 0 JCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001196166509 1069627564 /nfs/dbraw/zinc/62/75/64/1069627564.db2.gz LGZGCSRFZJFAIM-QGZVFWFLSA-N 2 2 455.563 0.551 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3cncc(=O)[nH]3)nc2C(N)=O)[nH+]c1C ZINC001196169217 1069627146 /nfs/dbraw/zinc/62/71/46/1069627146.db2.gz NBOLTDGEMBCSHU-LSDHHAIUSA-N 2 2 477.529 0.680 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(N4CCOCC4=O)cc3)CC2)C1=O ZINC001196257704 1069631166 /nfs/dbraw/zinc/63/11/66/1069631166.db2.gz BCWMKAWVAPUEOZ-UHFFFAOYSA-N 2 2 457.575 0.360 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(N4CCOCC4=O)cc3)CC2)C1=O ZINC001196257704 1069631156 /nfs/dbraw/zinc/63/11/56/1069631156.db2.gz BCWMKAWVAPUEOZ-UHFFFAOYSA-N 2 2 457.575 0.360 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3snnc3CO)nc2C(N)=O)[nH+]c1C ZINC001196366017 1069639105 /nfs/dbraw/zinc/63/91/05/1069639105.db2.gz VWIQGXWINMQBNR-UONOGXRCSA-N 2 2 497.585 0.940 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(=O)n3OCc3ccccc3)CC2)C1=O ZINC001196456159 1069642165 /nfs/dbraw/zinc/64/21/65/1069642165.db2.gz PSOPLBFTXABCJH-UHFFFAOYSA-N 2 2 481.597 0.788 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(=O)n3OCc3ccccc3)CC2)C1=O ZINC001196456159 1069642160 /nfs/dbraw/zinc/64/21/60/1069642160.db2.gz PSOPLBFTXABCJH-UHFFFAOYSA-N 2 2 481.597 0.788 20 0 JCADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)c3c[nH]c(=O)c(C)n3)nc2C(N)=O)[nH+]c1C ZINC001196522655 1069644201 /nfs/dbraw/zinc/64/42/01/1069644201.db2.gz MEEFIJUJSPRCQB-JKSUJKDBSA-N 2 2 491.556 0.988 20 0 JCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC001196622569 1069649882 /nfs/dbraw/zinc/64/98/82/1069649882.db2.gz IJPJPZMLEBSOGC-GOSISDBHSA-N 2 2 452.625 0.818 20 0 JCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC001196622569 1069649874 /nfs/dbraw/zinc/64/98/74/1069649874.db2.gz IJPJPZMLEBSOGC-GOSISDBHSA-N 2 2 452.625 0.818 20 0 JCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC001196622570 1069649961 /nfs/dbraw/zinc/64/99/61/1069649961.db2.gz IJPJPZMLEBSOGC-SFHVURJKSA-N 2 2 452.625 0.818 20 0 JCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC001196622570 1069649952 /nfs/dbraw/zinc/64/99/52/1069649952.db2.gz IJPJPZMLEBSOGC-SFHVURJKSA-N 2 2 452.625 0.818 20 0 JCADLP COCCN(C(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001196781644 1069660559 /nfs/dbraw/zinc/66/05/59/1069660559.db2.gz DYMRDDZTQRXJEV-MOPGFXCFSA-N 2 2 470.574 0.442 20 0 JCADLP COCCN(C(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001196781644 1069660555 /nfs/dbraw/zinc/66/05/55/1069660555.db2.gz DYMRDDZTQRXJEV-MOPGFXCFSA-N 2 2 470.574 0.442 20 0 JCADLP COCCN(C(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001196781644 1069660551 /nfs/dbraw/zinc/66/05/51/1069660551.db2.gz DYMRDDZTQRXJEV-MOPGFXCFSA-N 2 2 470.574 0.442 20 0 JCADLP COCCN(C(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001196781644 1069660547 /nfs/dbraw/zinc/66/05/47/1069660547.db2.gz DYMRDDZTQRXJEV-MOPGFXCFSA-N 2 2 470.574 0.442 20 0 JCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)c3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)CC2)C1=O ZINC001197598474 1069698726 /nfs/dbraw/zinc/69/87/26/1069698726.db2.gz CJWRCODPMZMMON-JOCHJYFZSA-N 3 2 457.619 0.564 20 0 JCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)c3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)CC2)C1=O ZINC001197598474 1069698724 /nfs/dbraw/zinc/69/87/24/1069698724.db2.gz CJWRCODPMZMMON-JOCHJYFZSA-N 3 2 457.619 0.564 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(C[NH+]4CC[C@@H](O)C4)cc3)CC2)C1=O ZINC001197598474 1069698720 /nfs/dbraw/zinc/69/87/20/1069698720.db2.gz CJWRCODPMZMMON-JOCHJYFZSA-N 3 2 457.619 0.564 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(C[NH+]4CC[C@@H](O)C4)cc3)CC2)C1=O ZINC001197598474 1069698715 /nfs/dbraw/zinc/69/87/15/1069698715.db2.gz CJWRCODPMZMMON-JOCHJYFZSA-N 3 2 457.619 0.564 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC001197598491 1069698810 /nfs/dbraw/zinc/69/88/10/1069698810.db2.gz CURWEUAILQENDI-HXUWFJFHSA-N 2 2 466.586 0.573 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC001197598491 1069698807 /nfs/dbraw/zinc/69/88/07/1069698807.db2.gz CURWEUAILQENDI-HXUWFJFHSA-N 2 2 466.586 0.573 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cncc(OCC(F)(F)F)n3)CC2)C1=O ZINC001197996342 1069723352 /nfs/dbraw/zinc/72/33/52/1069723352.db2.gz WUGOKUDNBWHKPE-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cncc(OCC(F)(F)F)n3)CC2)C1=O ZINC001197996342 1069723337 /nfs/dbraw/zinc/72/33/37/1069723337.db2.gz WUGOKUDNBWHKPE-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)C2 ZINC001198018226 1069719798 /nfs/dbraw/zinc/71/97/98/1069719798.db2.gz FRWFAXIRUXUICJ-UHFFFAOYSA-N 2 2 471.606 0.922 20 0 JCADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)C2 ZINC001198018226 1069719780 /nfs/dbraw/zinc/71/97/80/1069719780.db2.gz FRWFAXIRUXUICJ-UHFFFAOYSA-N 2 2 471.606 0.922 20 0 JCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)cc1 ZINC001198018394 1069719945 /nfs/dbraw/zinc/71/99/45/1069719945.db2.gz PIIIHQZTRGZIHF-UHFFFAOYSA-N 2 2 456.551 0.333 20 0 JCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)cc1 ZINC001198018394 1069719909 /nfs/dbraw/zinc/71/99/09/1069719909.db2.gz PIIIHQZTRGZIHF-UHFFFAOYSA-N 2 2 456.551 0.333 20 0 JCADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)C2 ZINC001198022703 1069724089 /nfs/dbraw/zinc/72/40/89/1069724089.db2.gz ZDVMDBDPSMTBQI-IBGZPJMESA-N 2 2 451.589 0.872 20 0 JCADLP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)C2 ZINC001198022703 1069724079 /nfs/dbraw/zinc/72/40/79/1069724079.db2.gz ZDVMDBDPSMTBQI-IBGZPJMESA-N 2 2 451.589 0.872 20 0 JCADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)C2 ZINC001198022706 1069724045 /nfs/dbraw/zinc/72/40/45/1069724045.db2.gz ZDVMDBDPSMTBQI-LJQANCHMSA-N 2 2 451.589 0.872 20 0 JCADLP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)C2 ZINC001198022706 1069724034 /nfs/dbraw/zinc/72/40/34/1069724034.db2.gz ZDVMDBDPSMTBQI-LJQANCHMSA-N 2 2 451.589 0.872 20 0 JCADLP Cc1cn([C@H]2C[C@H](NC(=O)c3ccc(C[N@H+](C)CCC[NH+](C)C)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001198035794 1069725399 /nfs/dbraw/zinc/72/53/99/1069725399.db2.gz CQIOWHSOCNZYDL-PWRODBHTSA-N 2 2 473.574 0.719 20 0 JCADLP Cc1cn([C@H]2C[C@H](NC(=O)c3ccc(C[N@@H+](C)CCC[NH+](C)C)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001198035794 1069725388 /nfs/dbraw/zinc/72/53/88/1069725388.db2.gz CQIOWHSOCNZYDL-PWRODBHTSA-N 2 2 473.574 0.719 20 0 JCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccncc1N1CC[NH+](C)CC1)CC2 ZINC001198145422 1069728855 /nfs/dbraw/zinc/72/88/55/1069728855.db2.gz AAAZVWAGZOXQLM-UHFFFAOYSA-N 2 2 466.590 0.153 20 0 JCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ccncc1N1CC[NH+](C)CC1)C2 ZINC001198145430 1069728444 /nfs/dbraw/zinc/72/84/44/1069728444.db2.gz ADLXJAJKFUAULO-FQEVSTJZSA-N 2 2 483.617 0.655 20 0 JCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ccncc1N1CC[NH+](C)CC1)C2 ZINC001198145432 1069728950 /nfs/dbraw/zinc/72/89/50/1069728950.db2.gz ADLXJAJKFUAULO-HXUWFJFHSA-N 2 2 483.617 0.655 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccncc3N3CC[NH+](C)CC3)CC2)C1=O ZINC001198145823 1069728826 /nfs/dbraw/zinc/72/88/26/1069728826.db2.gz KGXNZWKXFITJFJ-UHFFFAOYSA-N 3 2 457.623 0.144 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccncc3N3CC[NH+](C)CC3)CC2)C1=O ZINC001198145823 1069728807 /nfs/dbraw/zinc/72/88/07/1069728807.db2.gz KGXNZWKXFITJFJ-UHFFFAOYSA-N 3 2 457.623 0.144 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(N4CCCNC4=O)nc3)CC2)C1=O ZINC001198455638 1069743189 /nfs/dbraw/zinc/74/31/89/1069743189.db2.gz CPKBFYKRTFBUES-UHFFFAOYSA-N 2 2 457.579 0.312 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(N4CCCNC4=O)nc3)CC2)C1=O ZINC001198455638 1069743171 /nfs/dbraw/zinc/74/31/71/1069743171.db2.gz CPKBFYKRTFBUES-UHFFFAOYSA-N 2 2 457.579 0.312 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(NCC4CCOCC4)ccn3)CC2)C1=O ZINC001198526308 1069748931 /nfs/dbraw/zinc/74/89/31/1069748931.db2.gz OOHJZBCYZCCZRA-UHFFFAOYSA-N 2 2 472.634 0.652 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(NCC4CCOCC4)ccn3)CC2)C1=O ZINC001198526308 1069748913 /nfs/dbraw/zinc/74/89/13/1069748913.db2.gz OOHJZBCYZCCZRA-UHFFFAOYSA-N 2 2 472.634 0.652 20 0 JCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198612495 1069754807 /nfs/dbraw/zinc/75/48/07/1069754807.db2.gz PJOBPKUZXMBHRO-KRWDZBQOSA-N 2 2 450.605 0.924 20 0 JCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198612496 1069754602 /nfs/dbraw/zinc/75/46/02/1069754602.db2.gz PJOBPKUZXMBHRO-QGZVFWFLSA-N 2 2 450.605 0.924 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(NCC4CCOCC4)nc3)CC2)C1=O ZINC001198674153 1069761230 /nfs/dbraw/zinc/76/12/30/1069761230.db2.gz VYADIAQWPZLXIX-UHFFFAOYSA-N 2 2 473.622 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(NCC4CCOCC4)nc3)CC2)C1=O ZINC001198674153 1069761218 /nfs/dbraw/zinc/76/12/18/1069761218.db2.gz VYADIAQWPZLXIX-UHFFFAOYSA-N 2 2 473.622 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(=O)n3CC(F)(F)F)CC2)C1=O ZINC001198727482 1069762925 /nfs/dbraw/zinc/76/29/25/1069762925.db2.gz JUDMFZLDXYQBTK-UHFFFAOYSA-N 2 2 457.497 0.721 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(=O)n3CC(F)(F)F)CC2)C1=O ZINC001198727482 1069762906 /nfs/dbraw/zinc/76/29/06/1069762906.db2.gz JUDMFZLDXYQBTK-UHFFFAOYSA-N 2 2 457.497 0.721 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(OCC4CCOCC4)nc3)CC2)C1=O ZINC001198926987 1069777441 /nfs/dbraw/zinc/77/74/41/1069777441.db2.gz GQRMGFOJSLTZGQ-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(OCC4CCOCC4)nc3)CC2)C1=O ZINC001198926987 1069777429 /nfs/dbraw/zinc/77/74/29/1069777429.db2.gz GQRMGFOJSLTZGQ-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=S)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC001199090997 1069794122 /nfs/dbraw/zinc/79/41/22/1069794122.db2.gz QOBWUWOZIMYBRG-UHFFFAOYSA-N 2 2 468.649 0.201 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=S)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC001199090997 1069794105 /nfs/dbraw/zinc/79/41/05/1069794105.db2.gz QOBWUWOZIMYBRG-UHFFFAOYSA-N 2 2 468.649 0.201 20 0 JCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)nn1Cc1ccncc1 ZINC001199097910 1069794653 /nfs/dbraw/zinc/79/46/53/1069794653.db2.gz LYTUTADHGPUHEW-UHFFFAOYSA-N 2 2 453.591 0.945 20 0 JCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)nn1Cc1ccncc1 ZINC001199097910 1069794644 /nfs/dbraw/zinc/79/46/44/1069794644.db2.gz LYTUTADHGPUHEW-UHFFFAOYSA-N 2 2 453.591 0.945 20 0 JCADLP COCCn1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1C(F)(F)F ZINC001199150002 1069800240 /nfs/dbraw/zinc/80/02/40/1069800240.db2.gz WEMZMVHTMYOUJT-UHFFFAOYSA-N 2 2 474.528 0.859 20 0 JCADLP COCCn1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cc1C(F)(F)F ZINC001199150002 1069800214 /nfs/dbraw/zinc/80/02/14/1069800214.db2.gz WEMZMVHTMYOUJT-UHFFFAOYSA-N 2 2 474.528 0.859 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cncc(OCC4CCOCC4)n3)CC2)C1=O ZINC001199161147 1069802865 /nfs/dbraw/zinc/80/28/65/1069802865.db2.gz KUJGHYLRJUOIAM-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cncc(OCC4CCOCC4)n3)CC2)C1=O ZINC001199161147 1069802847 /nfs/dbraw/zinc/80/28/47/1069802847.db2.gz KUJGHYLRJUOIAM-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nccc(OCC4CCOCC4)n3)CC2)C1=O ZINC001199174208 1069803206 /nfs/dbraw/zinc/80/32/06/1069803206.db2.gz PFCMVWHBVKBOFC-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nccc(OCC4CCOCC4)n3)CC2)C1=O ZINC001199174208 1069803185 /nfs/dbraw/zinc/80/31/85/1069803185.db2.gz PFCMVWHBVKBOFC-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nccnc3OCC(F)(F)F)CC2)C1=O ZINC001199180157 1069804478 /nfs/dbraw/zinc/80/44/78/1069804478.db2.gz WTPCEHLEMKBUCL-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nccnc3OCC(F)(F)F)CC2)C1=O ZINC001199180157 1069804460 /nfs/dbraw/zinc/80/44/60/1069804460.db2.gz WTPCEHLEMKBUCL-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccnc(OCC(F)(F)F)n3)CC2)C1=O ZINC001199185408 1069805173 /nfs/dbraw/zinc/80/51/73/1069805173.db2.gz NFTMZPDRIJMABE-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccnc(OCC(F)(F)F)n3)CC2)C1=O ZINC001199185408 1069805155 /nfs/dbraw/zinc/80/51/55/1069805155.db2.gz NFTMZPDRIJMABE-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001199358795 1069822204 /nfs/dbraw/zinc/82/22/04/1069822204.db2.gz COHAEHZPQUXUSZ-UHFFFAOYSA-N 2 2 496.634 0.446 20 0 JCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001199359479 1069822668 /nfs/dbraw/zinc/82/26/68/1069822668.db2.gz NKWPJKQKSCPSDR-UHFFFAOYSA-N 2 2 459.572 0.784 20 0 JCADLP CCOC(=O)[C@H](NC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001199359553 1069822159 /nfs/dbraw/zinc/82/21/59/1069822159.db2.gz OQZOIXHGFJBFBE-RTWAWAEBSA-N 2 2 490.582 0.632 20 0 JCADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)c3c[nH+]ccc3N3CC[NH+](C)CC3)ccc12 ZINC001199361603 1069822554 /nfs/dbraw/zinc/82/25/54/1069822554.db2.gz YCWUKOLVLQZZTN-UHFFFAOYSA-N 2 2 492.536 0.733 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(NCC4CCOCC4)ncn3)CC2)C1=O ZINC001199435357 1069829754 /nfs/dbraw/zinc/82/97/54/1069829754.db2.gz PSIFRJWKRRAHIR-UHFFFAOYSA-N 2 2 473.622 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(NCC4CCOCC4)ncn3)CC2)C1=O ZINC001199435357 1069829727 /nfs/dbraw/zinc/82/97/27/1069829727.db2.gz PSIFRJWKRRAHIR-UHFFFAOYSA-N 2 2 473.622 0.626 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(=O)n(CC(F)(F)F)c3)CC2)C1=O ZINC001199499228 1069833628 /nfs/dbraw/zinc/83/36/28/1069833628.db2.gz MSNSRUPCBATYFE-UHFFFAOYSA-N 2 2 457.497 0.721 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(=O)n(CC(F)(F)F)c3)CC2)C1=O ZINC001199499228 1069833604 /nfs/dbraw/zinc/83/36/04/1069833604.db2.gz MSNSRUPCBATYFE-UHFFFAOYSA-N 2 2 457.497 0.721 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(Oc4cccnc4)nc3)CC2)C1=O ZINC001199504816 1069832898 /nfs/dbraw/zinc/83/28/98/1069832898.db2.gz GLUPVTMHWBZKEY-UHFFFAOYSA-N 2 2 453.547 0.974 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(Oc4cccnc4)nc3)CC2)C1=O ZINC001199504816 1069832872 /nfs/dbraw/zinc/83/28/72/1069832872.db2.gz GLUPVTMHWBZKEY-UHFFFAOYSA-N 2 2 453.547 0.974 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(OC4CCOCC4)nc3)CC2)C1=O ZINC001199517903 1069837087 /nfs/dbraw/zinc/83/70/87/1069837087.db2.gz OOWFWFMOPPMCOD-UHFFFAOYSA-N 2 2 460.579 0.345 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(OC4CCOCC4)nc3)CC2)C1=O ZINC001199517903 1069837055 /nfs/dbraw/zinc/83/70/55/1069837055.db2.gz OOWFWFMOPPMCOD-UHFFFAOYSA-N 2 2 460.579 0.345 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(OCC(F)(F)F)nc3)CC2)C1=O ZINC001199524420 1069837992 /nfs/dbraw/zinc/83/79/92/1069837992.db2.gz HKZACRFFYOQGEI-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(OCC(F)(F)F)nc3)CC2)C1=O ZINC001199524420 1069837971 /nfs/dbraw/zinc/83/79/71/1069837971.db2.gz HKZACRFFYOQGEI-UHFFFAOYSA-N 2 2 458.485 0.728 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(OC4CCOCC4)ccn3)CC2)C1=O ZINC001199542880 1069834981 /nfs/dbraw/zinc/83/49/81/1069834981.db2.gz NRSPSFVDJKLOAR-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(OC4CCOCC4)ccn3)CC2)C1=O ZINC001199542880 1069834956 /nfs/dbraw/zinc/83/49/56/1069834956.db2.gz NRSPSFVDJKLOAR-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccncc3OC3CCOCC3)CC2)C1=O ZINC001199620024 1069848263 /nfs/dbraw/zinc/84/82/63/1069848263.db2.gz VDPCNCWMHMKWLS-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccncc3OC3CCOCC3)CC2)C1=O ZINC001199620024 1069848245 /nfs/dbraw/zinc/84/82/45/1069848245.db2.gz VDPCNCWMHMKWLS-UHFFFAOYSA-N 2 2 459.591 0.950 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccnc(OCC4CCOCC4)n3)CC2)C1=O ZINC001199645163 1069847793 /nfs/dbraw/zinc/84/77/93/1069847793.db2.gz AUTBENWDYLEHFE-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccnc(OCC4CCOCC4)n3)CC2)C1=O ZINC001199645163 1069847774 /nfs/dbraw/zinc/84/77/74/1069847774.db2.gz AUTBENWDYLEHFE-UHFFFAOYSA-N 2 2 474.606 0.592 20 0 JCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)nn1Cc1ccccn1 ZINC001199656113 1069848543 /nfs/dbraw/zinc/84/85/43/1069848543.db2.gz FJNQGJWFEUPGCZ-UHFFFAOYSA-N 2 2 453.591 0.945 20 0 JCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)nn1Cc1ccccn1 ZINC001199656113 1069848522 /nfs/dbraw/zinc/84/85/22/1069848522.db2.gz FJNQGJWFEUPGCZ-UHFFFAOYSA-N 2 2 453.591 0.945 20 0 JCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccnc3I)CC2)C1=O ZINC001199765333 1069853898 /nfs/dbraw/zinc/85/38/98/1069853898.db2.gz HOWYNDDPIFGUHN-UHFFFAOYSA-N 2 2 485.370 0.997 20 0 JCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccnc3I)CC2)C1=O ZINC001199765333 1069853867 /nfs/dbraw/zinc/85/38/67/1069853867.db2.gz HOWYNDDPIFGUHN-UHFFFAOYSA-N 2 2 485.370 0.997 20 0 JCADLP C[NH+]1CCN(C2CC[NH+](C3CCN(C(=S)NCCC[NH+]4CCOCC4)CC3)CC2)CC1 ZINC001199946123 1069866191 /nfs/dbraw/zinc/86/61/91/1069866191.db2.gz FMTBKTIJVFHACD-UHFFFAOYSA-N 3 2 452.713 0.759 20 0 JCADLP C[NH+]1CCN(c2cc(NS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc3N)cc[nH+]2)CC1 ZINC001201666394 1069910149 /nfs/dbraw/zinc/91/01/49/1069910149.db2.gz PXFVXRFZHITDRH-UHFFFAOYSA-N 2 2 460.969 0.517 20 0 JCADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])c1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001211968944 1069973664 /nfs/dbraw/zinc/97/36/64/1069973664.db2.gz JQYNGDWOSDDAAM-LPHOPBHVSA-N 2 2 455.563 0.611 20 0 JCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001211973185 1069977105 /nfs/dbraw/zinc/97/71/05/1069977105.db2.gz PMXCMSYSRBPFBT-NRFANRHFSA-N 2 2 478.553 0.871 20 0 JCADLP CN1CC[NH+](Cc2cccc(-c3noc(CNC(=O)CNC(=O)[C@@H]([NH3+])Cc4ccccc4)n3)c2)CC1 ZINC001211973297 1069976682 /nfs/dbraw/zinc/97/66/82/1069976682.db2.gz QJIDMPMVKNQPOJ-QFIPXVFZSA-N 2 2 491.596 0.786 20 0 JCADLP C[NH+]1CCN(Cc2cccc(-c3noc(CNC(=O)CNC(=O)[C@@H]([NH3+])Cc4ccccc4)n3)c2)CC1 ZINC001211973297 1069976665 /nfs/dbraw/zinc/97/66/65/1069976665.db2.gz QJIDMPMVKNQPOJ-QFIPXVFZSA-N 2 2 491.596 0.786 20 0 JCADLP CN1CC[NH+](Cc2cccc(-c3noc([C@H](CO)NC(=O)[C@@H]([NH3+])Cc4ccc(O)cc4)n3)c2)CC1 ZINC001212000658 1069982199 /nfs/dbraw/zinc/98/21/99/1069982199.db2.gz RFKVHIDASFVELH-VXKWHMMOSA-N 2 2 480.569 0.909 20 0 JCADLP CN1CC[NH+](Cc2cccc(-c3noc([C@H](Cc4ccccc4)NC(=O)CNC(=O)C[NH3+])n3)c2)CC1 ZINC001212010517 1069985316 /nfs/dbraw/zinc/98/53/16/1069985316.db2.gz KCHSKHANJDYELS-QFIPXVFZSA-N 2 2 491.596 0.959 20 0 JCADLP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4CCCN4C(=O)[C@@H]([NH3+])CCC(N)=O)n3)c2)CC1 ZINC001212076619 1070002699 /nfs/dbraw/zinc/00/26/99/1070002699.db2.gz LPSHHVUWUCWDOH-OALUTQOASA-N 2 2 455.563 0.740 20 0 JCADLP CC(C)C[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001212298634 1069113228 /nfs/dbraw/zinc/11/32/28/1069113228.db2.gz LMPPIHCNKWUXMM-IBGZPJMESA-N 2 2 457.579 0.762 20 0 JCADLP C[NH+]1CCC(CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)(N2CCOCC2)CC1 ZINC001299364094 1070342442 /nfs/dbraw/zinc/34/24/42/1070342442.db2.gz YAQQBSQIJTZRRY-UHFFFAOYSA-N 2 2 453.628 0.888 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC001626166725 1071270341 /nfs/dbraw/zinc/27/03/41/1071270341.db2.gz YELNIEXPYZCJJU-FQEVSTJZSA-N 2 2 455.559 0.592 20 0 JCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC001626166726 1071270532 /nfs/dbraw/zinc/27/05/32/1071270532.db2.gz YELNIEXPYZCJJU-HXUWFJFHSA-N 2 2 455.559 0.592 20 0 JCADLP