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+](CC)[C@@H](C)C=C(c1cccs1)c1cccs1 ZINC000000000216 567816503 /nfs/dbraw/zinc/81/65/03/567816503.db2.gz CBYWMRHUUVRIAF-ZDUSSCGKSA-N 1 0 291.485 4.972 10 0 in-man CJAERO CC[N@H+](C)[C@@H](C)C=C(c1cccs1)c1cccs1 ZINC000000000272 567816403 /nfs/dbraw/zinc/81/64/03/567816403.db2.gz MORSAEFGQPDBKM-LBPRGKRZSA-N 1 0 277.458 4.582 10 0 in-man CJAERO COc1ccc(CC[C@H](C)[NH2+]C2CCCCCCC2)cc1 ZINC000000279460 169595488 /nfs/dbraw/zinc/59/54/88/169595488.db2.gz XHURKZDJGLSJEZ-INIZCTEOSA-N 1 0 289.463 4.719 10 0 CJAERO CCCc1[nH+]c2ccc(C)cn2c1Nc1c(C)cccc1C ZINC000000320505 567926902 /nfs/dbraw/zinc/92/69/02/567926902.db2.gz UUENAGOIQUHYMH-UHFFFAOYSA-N 1 0 293.414 4.956 10 0 CJAERO CC[N@H+](C)[C@H](C)C=C(c1cccs1)c1cccs1 ZINC000001850979 567843777 /nfs/dbraw/zinc/84/37/77/567843777.db2.gz MORSAEFGQPDBKM-GFCCVEGCSA-N 1 0 277.458 4.582 10 0 in-man CJAERO CC[NH+](CC)[C@H](C)C=C(c1cccs1)c1cccs1 ZINC000002041010 169771037 /nfs/dbraw/zinc/77/10/37/169771037.db2.gz CBYWMRHUUVRIAF-CYBMUJFWSA-N 1 0 291.485 4.972 10 0 in-man CJAERO COc1ccc(CC[C@@H](C)[NH2+]C2CCCCCCC2)cc1 ZINC000002498400 169795904 /nfs/dbraw/zinc/79/59/04/169795904.db2.gz XHURKZDJGLSJEZ-MRXNPFEDSA-N 1 0 289.463 4.719 10 0 CJAERO Cc1cc(C)c(C)c(OCCCCCC[NH+]2CCCC2)c1 ZINC000002880564 169840768 /nfs/dbraw/zinc/84/07/68/169840768.db2.gz MCAXKMWETBYFQV-UHFFFAOYSA-N 1 0 289.463 4.647 10 0 CJAERO CC[C@H]1CC[NH2+][C@H]1c1cccc(Oc2ccccc2)c1 ZINC000003733430 169909316 /nfs/dbraw/zinc/90/93/16/169909316.db2.gz PNYCZGPUHMOYJU-KBXCAEBGSA-N 1 0 267.372 4.540 10 0 CJAERO CC[C@@H]1CC[NH2+][C@H]1c1cccc(Oc2ccccc2)c1 ZINC000003733431 169909628 /nfs/dbraw/zinc/90/96/28/169909628.db2.gz PNYCZGPUHMOYJU-RDTXWAMCSA-N 1 0 267.372 4.540 10 0 CJAERO CC[C@H]1CC[NH2+][C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000003733432 169909300 /nfs/dbraw/zinc/90/93/00/169909300.db2.gz PNYCZGPUHMOYJU-KSSFIOAISA-N 1 0 267.372 4.540 10 0 CJAERO c1ccc(-c2ccc([C@H]3CCCCC[NH2+]3)cc2)cc1 ZINC000003734921 169909585 /nfs/dbraw/zinc/90/95/85/169909585.db2.gz SOFOPIPHMZZWEC-GOSISDBHSA-N 1 0 251.373 4.558 10 0 CJAERO C[C@@H](CN1c2ccccc2C=Cc2ccccc21)C[NH+](C)C ZINC000004336613 169958721 /nfs/dbraw/zinc/95/87/21/169958721.db2.gz RNFADUFBCJRRPS-MRXNPFEDSA-N 1 0 292.426 4.506 10 0 CJAERO C[C@H]([NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000005234595 170078155 /nfs/dbraw/zinc/07/81/55/170078155.db2.gz FGSYYGBILMOKEY-KFTNABNGSA-N 1 0 283.459 4.798 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000005234596 170078097 /nfs/dbraw/zinc/07/80/97/170078097.db2.gz FGSYYGBILMOKEY-XXJYEASJSA-N 1 0 283.459 4.798 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC000005234597 170077739 /nfs/dbraw/zinc/07/77/39/170077739.db2.gz FGSYYGBILMOKEY-QILCETPZSA-N 1 0 283.459 4.798 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000005234598 170077845 /nfs/dbraw/zinc/07/78/45/170077845.db2.gz FGSYYGBILMOKEY-YEQVMFDPSA-N 1 0 283.459 4.798 10 0 CJAERO CC(C)(C)c1cc(-c2ccccc2)cc[n+]1-c1ccccc1 ZINC000005284271 170082746 /nfs/dbraw/zinc/08/27/46/170082746.db2.gz ZEONQRHORZJVDZ-UHFFFAOYSA-N 1 0 288.414 4.928 10 0 CJAERO CC(C)[C@@H](C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005284841 170082811 /nfs/dbraw/zinc/08/28/11/170082811.db2.gz COQSTXHTWIHJPY-QGZVFWFLSA-N 1 0 267.416 4.733 10 0 CJAERO CC(C)[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000005284922 170082972 /nfs/dbraw/zinc/08/29/72/170082972.db2.gz HXTCVBLMFMGRNT-SFHVURJKSA-N 1 0 253.389 4.633 10 0 CJAERO CC(C)[C@H](C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005284999 170082961 /nfs/dbraw/zinc/08/29/61/170082961.db2.gz COQSTXHTWIHJPY-KRWDZBQOSA-N 1 0 267.416 4.733 10 0 CJAERO CC(C)[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000005285080 170082830 /nfs/dbraw/zinc/08/28/30/170082830.db2.gz HXTCVBLMFMGRNT-GOSISDBHSA-N 1 0 253.389 4.633 10 0 CJAERO c1ccc(Nc2ccc(-[n+]3ccc4ccccc4c3)cc2)cc1 ZINC000005331861 170086766 /nfs/dbraw/zinc/08/67/66/170086766.db2.gz KEUZBZAUNKBXIE-UHFFFAOYSA-N 1 0 297.381 4.860 10 0 CJAERO CC[n+]1c(C(C)C)cc(-c2ccccc2)cc1C(C)C ZINC000005340003 170087839 /nfs/dbraw/zinc/08/78/39/170087839.db2.gz LFXMEGVONPSPIH-UHFFFAOYSA-N 1 0 268.424 4.908 10 0 CJAERO CC(C)(C)C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000005352375 170088700 /nfs/dbraw/zinc/08/87/00/170088700.db2.gz DDFRMAYDQKTBFV-UHFFFAOYSA-N 1 0 269.388 4.615 10 0 CJAERO Cc1cc(C(C)(C)C)[n+](-c2ccccc2)c(C(C)(C)C)c1 ZINC000005378599 170091436 /nfs/dbraw/zinc/09/14/36/170091436.db2.gz AEHOIWCXDTWKIJ-UHFFFAOYSA-N 1 0 282.451 4.867 10 0 CJAERO c1ccc(Sc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000005486008 170104062 /nfs/dbraw/zinc/10/40/62/170104062.db2.gz GIIKOPZJCKETRH-UHFFFAOYSA-N 1 0 283.440 4.824 10 0 CJAERO CC[n+]1c(/C=C\c2ccc(Cl)cc2)ccc2ccccc21 ZINC000005542992 170111224 /nfs/dbraw/zinc/11/12/24/170111224.db2.gz GSRKAEWQWQHVFQ-LCYFTJDESA-N 1 0 294.805 4.971 10 0 CJAERO COc1ccc2[s+]c(-c3ccccc3)ccc2c1 ZINC000005551658 170112283 /nfs/dbraw/zinc/11/22/83/170112283.db2.gz ILNHCCZNVMPWLU-UHFFFAOYSA-N 1 0 253.346 4.858 10 0 CJAERO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3)c2c1 ZINC000005585035 170116094 /nfs/dbraw/zinc/11/60/94/170116094.db2.gz MLNFJUXNYPLUBM-UHFFFAOYSA-N 1 0 292.382 4.994 10 0 CJAERO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3)c2c1 ZINC000005585050 170116158 /nfs/dbraw/zinc/11/61/58/170116158.db2.gz KFXCLEWYNQHMHV-UHFFFAOYSA-N 1 0 292.382 4.994 10 0 CJAERO CCOc1ccc2[nH+]c(C)cc(Nc3ccccc3)c2c1 ZINC000005585065 170116173 /nfs/dbraw/zinc/11/61/73/170116173.db2.gz NNPCXJMJYUFVIO-UHFFFAOYSA-N 1 0 278.355 4.686 10 0 CJAERO CCOc1ccc2[nH+]c(C)cc(Nc3ccccc3C)c2c1 ZINC000005585070 170116287 /nfs/dbraw/zinc/11/62/87/170116287.db2.gz UXBUZXOVBLKKMW-UHFFFAOYSA-N 1 0 292.382 4.994 10 0 CJAERO CC[C@@H](C)[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000005599003 170118241 /nfs/dbraw/zinc/11/82/41/170118241.db2.gz HMQGLWXGGPUQAV-GOSISDBHSA-N 1 0 293.454 4.867 10 0 CJAERO CC[C@H](C)[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000005599261 170118122 /nfs/dbraw/zinc/11/81/22/170118122.db2.gz HMQGLWXGGPUQAV-SFHVURJKSA-N 1 0 293.454 4.867 10 0 CJAERO C[N@@H+]1CC[C@H](C[C@@H]2C[C@H](c3ccccc3)c3ccccc32)C1 ZINC000005599891 170118351 /nfs/dbraw/zinc/11/83/51/170118351.db2.gz AMYOGBYNKSSTIB-HGHGUNKESA-N 1 0 291.438 4.648 10 0 in-man CJAERO C[N@@H+]1CC[C@@H](C[C@@H]2C[C@H](c3ccccc3)c3ccccc32)C1 ZINC000005599900 170118298 /nfs/dbraw/zinc/11/82/98/170118298.db2.gz AMYOGBYNKSSTIB-YRISNDGFSA-N 1 0 291.438 4.648 10 0 in-man CJAERO CCC[N@@H+]1CCC[C@H]2[C@@H]1c1ccccc1[C@@H]2c1ccccc1 ZINC000005647745 170124026 /nfs/dbraw/zinc/12/40/26/170124026.db2.gz RMFDPFVJWNFOJK-HKBOAZHASA-N 1 0 291.438 4.995 10 0 CJAERO C[C@@H](Cc1ccccc1)[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000005735320 170135258 /nfs/dbraw/zinc/13/52/58/170135258.db2.gz JYIBHRYCLGOABJ-DPYIETLKSA-N 1 0 297.486 4.814 10 0 CJAERO C[C@H](Cc1ccccc1)[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000005751597 170137180 /nfs/dbraw/zinc/13/71/80/170137180.db2.gz JYIBHRYCLGOABJ-WXYKMOQMSA-N 1 0 297.486 4.814 10 0 CJAERO CC/C(=C/c1sc2ccc(Cl)cc2[n+]1CC)SC ZINC000005761786 170137759 /nfs/dbraw/zinc/13/77/59/170137759.db2.gz VZFYKBDPYMJKLA-LUAWRHEFSA-N 1 0 298.884 4.976 10 0 CJAERO C[C@@H](CC[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000005762791 170138324 /nfs/dbraw/zinc/13/83/24/170138324.db2.gz JJVKXIVSXUARRW-INIZCTEOSA-N 1 0 267.416 4.819 10 0 CJAERO CC1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000005767832 170138713 /nfs/dbraw/zinc/13/87/13/170138713.db2.gz AJUVHIRWTCUZLT-UHFFFAOYSA-N 1 0 257.421 4.578 10 0 CJAERO CC[NH+](CC)CCCCCCOc1cc(C)ccc1Cl ZINC000005794521 170140751 /nfs/dbraw/zinc/14/07/51/170140751.db2.gz YRXJPIBAKJBTEZ-UHFFFAOYSA-N 1 0 297.870 4.929 10 0 CJAERO CC[NH+](CC)CCCCCCOc1cccc(C)c1C ZINC000005794525 170140612 /nfs/dbraw/zinc/14/06/12/170140612.db2.gz QYNRICPBTGOTLV-UHFFFAOYSA-N 1 0 277.452 4.584 10 0 CJAERO CCCCCCc1ccc(C(=O)C(C)(C)C[NH+](C)C)cc1 ZINC000005820634 170144019 /nfs/dbraw/zinc/14/40/19/170144019.db2.gz YUOMVEWCCSGMPO-UHFFFAOYSA-N 1 0 289.463 4.580 10 0 CJAERO CCCCC[C@@H]1CCC[C@]2(CCC[C@H](O)[C@H]2CCCC)[NH2+]1 ZINC000005820914 170143900 /nfs/dbraw/zinc/14/39/00/170143900.db2.gz BTKHRQIWTGOESJ-AKHDSKFASA-N 1 0 295.511 4.799 10 0 CJAERO CCCCN1C(C)=C(C)[N@@H+](CCCC)P1OCC ZINC000005821241 170144101 /nfs/dbraw/zinc/14/41/01/170144101.db2.gz HDRGJOIDQKNWSQ-UHFFFAOYSA-N 1 0 272.373 4.719 10 0 CJAERO CCCC[C@@H](CC)C[NH+](CCO)C[C@H](CC)CCCC ZINC000005821753 170144098 /nfs/dbraw/zinc/14/40/98/170144098.db2.gz FMFWSIARXFCACS-QZTJIDSGSA-N 1 0 285.516 4.714 10 0 CJAERO CCCC[C@H](CC)C[NH+](CCO)C[C@@H](CC)CCCC ZINC000005822070 170143860 /nfs/dbraw/zinc/14/38/60/170143860.db2.gz FMFWSIARXFCACS-ROUUACIJSA-N 1 0 285.516 4.714 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CCC[C@@H]1C ZINC000005954771 170162162 /nfs/dbraw/zinc/16/21/62/170162162.db2.gz JHXBZIWTGFGUJP-FIXISWKDSA-N 1 0 286.246 4.908 10 0 CJAERO CC(C)CNc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000005962691 170163545 /nfs/dbraw/zinc/16/35/45/170163545.db2.gz IPLMTXFVEDFDHS-UHFFFAOYSA-N 1 0 276.383 4.970 10 0 CJAERO CC(C)=CC[N@H+]1Cc2cc(Cl)ccc2NC[C@H]1C(C)C ZINC000005963202 170163754 /nfs/dbraw/zinc/16/37/54/170163754.db2.gz SCNPFWORCUBTDI-KRWDZBQOSA-N 1 0 292.854 4.558 10 0 CJAERO CC(C)=CC[N@H+]1Cc2cc(Cl)ccc2NC[C@@H]1C(C)C ZINC000005963279 170163273 /nfs/dbraw/zinc/16/32/73/170163273.db2.gz SCNPFWORCUBTDI-QGZVFWFLSA-N 1 0 292.854 4.558 10 0 CJAERO CSc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000006019879 170169239 /nfs/dbraw/zinc/16/92/39/170169239.db2.gz YVKDUIAAPBKHMJ-RBUKOAKNSA-N 1 0 295.451 4.691 10 0 in-vitro CJAERO C[C@@H]1CCC[N@@H+](C2(c3ccccc3)CCCCC2)C1 ZINC000006030870 170169616 /nfs/dbraw/zinc/16/96/16/170169616.db2.gz IEOJHRAIYGJUBG-MRXNPFEDSA-N 1 0 257.421 4.578 10 0 CJAERO C[C@H]1CCC[N@@H+](C2(c3ccccc3)CCCCC2)C1 ZINC000006037539 170170107 /nfs/dbraw/zinc/17/01/07/170170107.db2.gz IEOJHRAIYGJUBG-INIZCTEOSA-N 1 0 257.421 4.578 10 0 CJAERO Clc1ccc([C@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1 ZINC000006117464 170177248 /nfs/dbraw/zinc/17/72/48/170177248.db2.gz NYIDPSGGLMYASF-MSOLQXFVSA-N 1 0 283.802 4.622 10 0 CJAERO Clc1ccccc1[C@@H]1C[N@@H+]2CCC[C@@H]2c2ccccc21 ZINC000006117518 170177322 /nfs/dbraw/zinc/17/73/22/170177322.db2.gz KWMNBUDYCCTHHL-SJLPKXTDSA-N 1 0 283.802 4.622 10 0 CJAERO CCc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000006356208 170195080 /nfs/dbraw/zinc/19/50/80/170195080.db2.gz ZCUWHILHLVQXLY-UHFFFAOYSA-N 1 0 275.395 4.692 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@@H]1C ZINC000006586353 170216365 /nfs/dbraw/zinc/21/63/65/170216365.db2.gz BCOOFEDXYYBFQW-HFAKWTLXSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H]1C ZINC000006586358 170216409 /nfs/dbraw/zinc/21/64/09/170216409.db2.gz JHXBZIWTGFGUJP-HFAKWTLXSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)[C@@H]1C ZINC000006586362 170216466 /nfs/dbraw/zinc/21/64/66/170216466.db2.gz MKMKJMHXBNENDE-CLCXKQKWSA-N 1 0 267.416 4.754 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@@H]1C ZINC000006586410 170216219 /nfs/dbraw/zinc/21/62/19/170216219.db2.gz BCOOFEDXYYBFQW-UEKVPHQBSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H]1C ZINC000006586415 170216319 /nfs/dbraw/zinc/21/63/19/170216319.db2.gz JHXBZIWTGFGUJP-UEKVPHQBSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)[C@@H]1C ZINC000006586420 170216279 /nfs/dbraw/zinc/21/62/79/170216279.db2.gz MKMKJMHXBNENDE-SPYBWZPUSA-N 1 0 267.416 4.754 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000006587800 170216767 /nfs/dbraw/zinc/21/67/67/170216767.db2.gz BCOOFEDXYYBFQW-RWSFTLGLSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000006587809 170217032 /nfs/dbraw/zinc/21/70/32/170217032.db2.gz JHXBZIWTGFGUJP-RWSFTLGLSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000006587814 170216887 /nfs/dbraw/zinc/21/68/87/170216887.db2.gz MKMKJMHXBNENDE-KHYOSLBOSA-N 1 0 267.416 4.754 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2c(Cl)cccc2Cl)CCC[C@@H]1C ZINC000006587861 170216920 /nfs/dbraw/zinc/21/69/20/170216920.db2.gz BCOOFEDXYYBFQW-FIXISWKDSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCC[C@@H]1C ZINC000006587870 170216607 /nfs/dbraw/zinc/21/66/07/170216607.db2.gz MKMKJMHXBNENDE-QMTMVMCOSA-N 1 0 267.416 4.754 10 0 CJAERO c1csc([C@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)c1 ZINC000007216274 170272380 /nfs/dbraw/zinc/27/23/80/170272380.db2.gz SJSWRZINVLYOGM-QGZVFWFLSA-N 1 0 294.423 4.633 10 0 CJAERO c1csc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)c1 ZINC000007216279 170272298 /nfs/dbraw/zinc/27/22/98/170272298.db2.gz SJSWRZINVLYOGM-KRWDZBQOSA-N 1 0 294.423 4.633 10 0 CJAERO [NH3+][C@@H](c1ccc(C2CCCCC2)cc1)C1CCCC1 ZINC000009245956 170368114 /nfs/dbraw/zinc/36/81/14/170368114.db2.gz JFFVHQWCAOLXSV-GOSISDBHSA-N 1 0 257.421 4.924 10 0 CJAERO [NH3+][C@H](c1ccc(C2CCCCC2)cc1)C1CCCC1 ZINC000009245957 170368182 /nfs/dbraw/zinc/36/81/82/170368182.db2.gz JFFVHQWCAOLXSV-SFHVURJKSA-N 1 0 257.421 4.924 10 0 CJAERO CCC[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000010435866 170406794 /nfs/dbraw/zinc/40/67/94/170406794.db2.gz OBXWKNSMBUMNBN-XWGMLZDCSA-N 1 0 265.400 4.831 10 0 CJAERO C[C@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010436576 170406750 /nfs/dbraw/zinc/40/67/50/170406750.db2.gz FNYYXLSPTCJUFT-NYIYGCJWSA-N 1 0 297.486 4.985 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000010436583 170407016 /nfs/dbraw/zinc/40/70/16/170407016.db2.gz QNCSPIMOGLWRSV-DHBQWTBNSA-N 1 0 275.480 4.761 10 0 CJAERO Cc1cccc2c1CC[NH2+][C@H]2c1ccc(C(C)(C)C)cc1 ZINC000011597382 170424895 /nfs/dbraw/zinc/42/48/95/170424895.db2.gz JWKAAVPUMSXCKL-IBGZPJMESA-N 1 0 279.427 4.528 10 0 CJAERO Cc1ccc([C@@H]2[NH2+]CCc3ccc(C(C)C)cc32)cc1C ZINC000011598662 170424940 /nfs/dbraw/zinc/42/49/40/170424940.db2.gz QFTRAVCZPHIGEC-FQEVSTJZSA-N 1 0 279.427 4.662 10 0 CJAERO Cc1ccc([C@H]2[NH2+]CCc3ccc(C(C)(C)C)cc32)cc1 ZINC000011598889 170424973 /nfs/dbraw/zinc/42/49/73/170424973.db2.gz BWRZGFBXXGRAOQ-LJQANCHMSA-N 1 0 279.427 4.528 10 0 CJAERO CC(C)(C)c1ccc2c(c1)[C@@H](CCc1ccccc1)[NH2+]CC2 ZINC000011598959 170424843 /nfs/dbraw/zinc/42/48/43/170424843.db2.gz GINCLRMJNBFIFW-HXUWFJFHSA-N 1 0 293.454 4.804 10 0 CJAERO CC(C)c1ccc(C[C@@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000011601203 170425687 /nfs/dbraw/zinc/42/56/87/170425687.db2.gz VPEHHTSKBVUELF-QGZVFWFLSA-N 1 0 287.834 4.576 10 0 CJAERO CC(C)c1ccc(C[C@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011601268 170425781 /nfs/dbraw/zinc/42/57/81/170425781.db2.gz JQPFSSDGUIWBKS-SFHVURJKSA-N 1 0 287.834 4.576 10 0 CJAERO CCc1ccc(C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000011603102 170425791 /nfs/dbraw/zinc/42/57/91/170425791.db2.gz BNXHEVRYDYOHFB-IBGZPJMESA-N 1 0 267.416 4.615 10 0 CJAERO CC(C)(C)c1ccc([C@@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011604048 170426431 /nfs/dbraw/zinc/42/64/31/170426431.db2.gz GYLGZFFBCPBZDR-KRWDZBQOSA-N 1 0 287.834 4.880 10 0 CJAERO CC(C)(C)c1ccc([C@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011604051 170426357 /nfs/dbraw/zinc/42/63/57/170426357.db2.gz GYLGZFFBCPBZDR-QGZVFWFLSA-N 1 0 287.834 4.880 10 0 CJAERO CC(C)c1ccc(C[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000011604322 170426690 /nfs/dbraw/zinc/42/66/90/170426690.db2.gz XGGYAZFMJIQLAL-QGZVFWFLSA-N 1 0 273.807 4.706 10 0 CJAERO Cc1cccc([C@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)c1 ZINC000011605161 170426590 /nfs/dbraw/zinc/42/65/90/170426590.db2.gz SAIMMZXKBZSBHU-GOSISDBHSA-N 1 0 267.416 4.535 10 0 CJAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000011605164 170426756 /nfs/dbraw/zinc/42/67/56/170426756.db2.gz OLJJVMQXNQVMKL-SFHVURJKSA-N 1 0 267.416 4.535 10 0 CJAERO Cc1ccc([C@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000011605168 170426804 /nfs/dbraw/zinc/42/68/04/170426804.db2.gz OLJJVMQXNQVMKL-GOSISDBHSA-N 1 0 267.416 4.535 10 0 CJAERO CCc1ccc([C@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000011605188 170426778 /nfs/dbraw/zinc/42/67/78/170426778.db2.gz GNPHZVHQRSKZDQ-LJQANCHMSA-N 1 0 281.443 4.789 10 0 CJAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000011605217 170426737 /nfs/dbraw/zinc/42/67/37/170426737.db2.gz NVEJHIPTJHJMNH-QGZVFWFLSA-N 1 0 287.834 4.880 10 0 CJAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000011605225 170426647 /nfs/dbraw/zinc/42/66/47/170426647.db2.gz QJMQDLZQVFWFTD-QGZVFWFLSA-N 1 0 287.834 4.880 10 0 CJAERO CC(C)(C)c1ccc(C[C@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000011605229 170426760 /nfs/dbraw/zinc/42/67/60/170426760.db2.gz QJMQDLZQVFWFTD-KRWDZBQOSA-N 1 0 287.834 4.880 10 0 CJAERO C[NH2+]CC[C@H](c1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC000011630209 170429214 /nfs/dbraw/zinc/42/92/14/170429214.db2.gz CODYFDLVUAUASX-MRXNPFEDSA-N 1 0 261.453 4.723 10 0 CJAERO Cc1ccc(-c2csc(-c3cccc(C[NH3+])c3)n2)c(C)c1 ZINC000011851553 170448428 /nfs/dbraw/zinc/44/84/28/170448428.db2.gz ASSANGLLNAWCEZ-UHFFFAOYSA-N 1 0 294.423 4.553 10 0 CJAERO Cc1ccc(C)c(-c2csc(-c3cccc(C[NH3+])c3)n2)c1 ZINC000011851557 170448458 /nfs/dbraw/zinc/44/84/58/170448458.db2.gz NQNXHBUCODXRDO-UHFFFAOYSA-N 1 0 294.423 4.553 10 0 CJAERO [NH3+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000011863803 170450706 /nfs/dbraw/zinc/45/07/06/170450706.db2.gz ONPZYQPXTOAHGJ-UHFFFAOYSA-N 1 0 297.785 4.531 10 0 CJAERO C[C@H](C[NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000011886283 170452599 /nfs/dbraw/zinc/45/25/99/170452599.db2.gz URNLTGQUCWSVTB-CYBMUJFWSA-N 1 0 294.423 4.539 10 0 CJAERO Cc1sc(-c2cccc(C[NH3+])c2)nc1-c1ccc(C)cc1 ZINC000011887195 170452380 /nfs/dbraw/zinc/45/23/80/170452380.db2.gz ULBDLBHZUKIUPJ-UHFFFAOYSA-N 1 0 294.423 4.553 10 0 CJAERO Cc1ccc(C(C)(C)C)c(Oc2ccc(C[NH3+])cc2)c1 ZINC000011897402 170457307 /nfs/dbraw/zinc/45/73/07/170457307.db2.gz GZQVMWUHBBXSLT-UHFFFAOYSA-N 1 0 269.388 4.544 10 0 CJAERO CCC(C)(C)c1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000011944523 170459662 /nfs/dbraw/zinc/45/96/62/170459662.db2.gz UFXDBDKBRNKJRI-UHFFFAOYSA-N 1 0 269.388 4.625 10 0 CJAERO [NH3+]Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000011948861 170460585 /nfs/dbraw/zinc/46/05/85/170460585.db2.gz ROOHXYAWZJKPLJ-UHFFFAOYSA-N 1 0 275.351 4.605 10 0 CJAERO CCc1ccc(Oc2ccc(C[NH3+])cc2)c(C(C)(C)C)c1 ZINC000011951147 170460835 /nfs/dbraw/zinc/46/08/35/170460835.db2.gz NWTQUVBZAYFFMX-UHFFFAOYSA-N 1 0 283.415 4.798 10 0 CJAERO C[C@H]([NH2+]P(c1ccccc1)C(C)(C)C)c1ccccc1 ZINC000012506574 567863362 /nfs/dbraw/zinc/86/33/62/567863362.db2.gz FIHQXQSCBNIZCF-OOJLDXBWSA-N 1 0 285.371 4.858 10 0 CJAERO C[C@@H]([NH2+]P(c1ccccc1)C(C)(C)C)c1ccccc1 ZINC000012506578 567863468 /nfs/dbraw/zinc/86/34/68/567863468.db2.gz FIHQXQSCBNIZCF-IWPPFLRJSA-N 1 0 285.371 4.858 10 0 CJAERO C[C@H]1C=Cc2ccccc2[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000013801928 170595600 /nfs/dbraw/zinc/59/56/00/170595600.db2.gz QVWOISGAXXUOJK-QFBILLFUSA-N 1 0 277.411 4.613 10 0 CJAERO C[C@H]1CCCC[C@@]1(c1ccccc1)[NH+]1CCCCC1 ZINC000013823951 170600083 /nfs/dbraw/zinc/60/00/83/170600083.db2.gz CBVUKHMVMNBFQP-FUHWJXTLSA-N 1 0 257.421 4.578 10 0 CJAERO C[C@@H]1CCCC[C@@]1(c1ccccc1)[NH+]1CCCCC1 ZINC000013823955 170599785 /nfs/dbraw/zinc/59/97/85/170599785.db2.gz CBVUKHMVMNBFQP-SJLPKXTDSA-N 1 0 257.421 4.578 10 0 CJAERO Cc1cccc2cc(C[NH2+]C3CC3)c(-c3cccs3)nc12 ZINC000014879722 570291277 /nfs/dbraw/zinc/29/12/77/570291277.db2.gz YLGRRJVBTBLXLY-UHFFFAOYSA-N 1 0 294.423 4.524 10 0 CJAERO [NH3+][C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000014951598 567118198 /nfs/dbraw/zinc/11/81/98/567118198.db2.gz SRPXSILJHWNFMK-BZNIZROVSA-N 1 0 292.209 4.919 10 0 world CJAERO CSc1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000014953693 560227984 /nfs/dbraw/zinc/22/79/84/560227984.db2.gz YVKDUIAAPBKHMJ-RTBURBONSA-N 1 0 295.451 4.691 10 0 in-vitro CJAERO CCCC[N+]1=C(C)c2cccc3c2c1ccc3Cl ZINC000018190224 170746570 /nfs/dbraw/zinc/74/65/70/170746570.db2.gz VMASAVWYZZAHNB-UHFFFAOYSA-N 1 0 258.772 4.760 10 0 CJAERO CCC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019230757 170756574 /nfs/dbraw/zinc/75/65/74/170756574.db2.gz CAYKWNNVWKIHEO-RDTXWAMCSA-N 1 0 271.379 4.693 10 0 CJAERO CCCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000019230771 170756518 /nfs/dbraw/zinc/75/65/18/170756518.db2.gz NXKQBUSYCVIKLZ-IBGZPJMESA-N 1 0 267.416 4.783 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000019230783 170756243 /nfs/dbraw/zinc/75/62/43/170756243.db2.gz GWFDYWWXZFGRIR-OAHLLOKOSA-N 1 0 263.425 4.706 10 0 CJAERO CCC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019231004 170756584 /nfs/dbraw/zinc/75/65/84/170756584.db2.gz ZYMFJEUVDOKIHZ-LLVKDONJSA-N 1 0 274.235 4.562 10 0 CJAERO CCC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019231005 170756506 /nfs/dbraw/zinc/75/65/06/170756506.db2.gz ZYMFJEUVDOKIHZ-NSHDSACASA-N 1 0 274.235 4.562 10 0 CJAERO CCCCC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000019231631 170757280 /nfs/dbraw/zinc/75/72/80/170757280.db2.gz GHQJLTDNVAGJMO-QGZVFWFLSA-N 1 0 281.443 4.987 10 0 CJAERO CC(C)CC[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000019231992 170757077 /nfs/dbraw/zinc/75/70/77/170757077.db2.gz KJNCFHZMGXMABS-OAHLLOKOSA-N 1 0 279.427 4.955 10 0 CJAERO Cc1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000019232231 262049168 /nfs/dbraw/zinc/04/91/68/262049168.db2.gz YWNKWTYZJWFQDZ-LJQANCHMSA-N 1 0 265.400 4.552 10 0 CJAERO Cc1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000019232232 262049178 /nfs/dbraw/zinc/04/91/78/262049178.db2.gz YWNKWTYZJWFQDZ-IBGZPJMESA-N 1 0 265.400 4.552 10 0 CJAERO CCC(CC)[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000019232377 170757685 /nfs/dbraw/zinc/75/76/85/170757685.db2.gz QUBVTAJGVBTIPT-UHFFFAOYSA-N 1 0 281.443 4.619 10 0 CJAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000019232470 262049076 /nfs/dbraw/zinc/04/90/76/262049076.db2.gz GLSRTMYCNSXHIR-LLVKDONJSA-N 1 0 295.760 4.512 10 0 CJAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000019232471 327867948 /nfs/dbraw/zinc/86/79/48/327867948.db2.gz GLSRTMYCNSXHIR-NSHDSACASA-N 1 0 295.760 4.512 10 0 CJAERO C=COCCC[NH2+]C1CCCCCCCCCCC1 ZINC000019232726 170757639 /nfs/dbraw/zinc/75/76/39/170757639.db2.gz VSJZKPPRHWGEPO-UHFFFAOYSA-N 1 0 267.457 4.800 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000019233300 170757916 /nfs/dbraw/zinc/75/79/16/170757916.db2.gz DVGXTPCOJRJKBB-AWEZNQCLSA-N 1 0 263.425 4.561 10 0 CJAERO CCC(CC)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000019233301 170757906 /nfs/dbraw/zinc/75/79/06/170757906.db2.gz DVGXTPCOJRJKBB-CQSZACIVSA-N 1 0 263.425 4.561 10 0 CJAERO Cc1ccc2c(c1)[C@H](c1ccc(C(C)(C)C)cc1)[NH2+]CC2 ZINC000019625161 170831022 /nfs/dbraw/zinc/83/10/22/170831022.db2.gz AQFFNZBINZXORK-IBGZPJMESA-N 1 0 279.427 4.528 10 0 CJAERO CC(C)c1ccccc1O[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000019671021 170835737 /nfs/dbraw/zinc/83/57/37/170835737.db2.gz NUMVPXVEBAWCOO-QGZVFWFLSA-N 1 0 289.806 4.542 10 0 CJAERO CC(C)c1ccc(O[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000019671244 170835830 /nfs/dbraw/zinc/83/58/30/170835830.db2.gz NFNWOJPXJBOHGO-QGZVFWFLSA-N 1 0 289.806 4.542 10 0 CJAERO [NH3+]C[C@H](Oc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000019671348 170835933 /nfs/dbraw/zinc/83/59/33/170835933.db2.gz DNZOCYGHLLZISC-SFHVURJKSA-N 1 0 297.785 4.572 10 0 CJAERO C[NH2+]Cc1ccc(Oc2ccc(C(C)C)c(C)c2)cc1 ZINC000019777931 170861432 /nfs/dbraw/zinc/86/14/32/170861432.db2.gz CWOJGGXXITVEMC-UHFFFAOYSA-N 1 0 269.388 4.630 10 0 CJAERO CCCCCCOc1ccc2ccccc2c1C[NH2+]C ZINC000019778040 170861228 /nfs/dbraw/zinc/86/12/28/170861228.db2.gz DOWDMNPJQULHJY-UHFFFAOYSA-N 1 0 271.404 4.518 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1ccccc1C(F)(F)F ZINC000019873432 170903291 /nfs/dbraw/zinc/90/32/91/170903291.db2.gz JKEWASBILGZNKW-SNVBAGLBSA-N 1 0 281.277 4.517 10 0 CJAERO COc1ccccc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019903298 262205582 /nfs/dbraw/zinc/20/55/82/262205582.db2.gz XSGHRKNQGSWESL-HNNXBMFYSA-N 1 0 283.415 4.669 10 0 CJAERO COc1ccccc1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019903299 262205658 /nfs/dbraw/zinc/20/56/58/262205658.db2.gz XSGHRKNQGSWESL-OAHLLOKOSA-N 1 0 283.415 4.669 10 0 CJAERO CCCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000019907092 170919386 /nfs/dbraw/zinc/91/93/86/170919386.db2.gz IZWYROZFVLSQPV-JTQLQIEISA-N 1 0 296.208 4.646 10 0 CJAERO CCCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000019907093 170919154 /nfs/dbraw/zinc/91/91/54/170919154.db2.gz IZWYROZFVLSQPV-SNVBAGLBSA-N 1 0 296.208 4.646 10 0 CJAERO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000019908205 170920185 /nfs/dbraw/zinc/92/01/85/170920185.db2.gz WGXOSZWGTGAOPR-LLVKDONJSA-N 1 0 280.198 4.844 10 0 CJAERO [NH3+][C@H](c1ccc2[nH]c3ccccc3c2c1)C1CCCC1 ZINC000019968288 170950758 /nfs/dbraw/zinc/95/07/58/170950758.db2.gz PUIWFQMWASFURD-SFHVURJKSA-N 1 0 264.372 4.511 10 0 CJAERO CCCC[C@@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968312 170950364 /nfs/dbraw/zinc/95/03/64/170950364.db2.gz GZYHKVQMEWEZSA-OAHLLOKOSA-N 1 0 252.361 4.511 10 0 CJAERO CCCC[C@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968313 170950565 /nfs/dbraw/zinc/95/05/65/170950565.db2.gz GZYHKVQMEWEZSA-HNNXBMFYSA-N 1 0 252.361 4.511 10 0 CJAERO CC(C)c1ccc([C@@H]([NH3+])CC(F)(F)F)c(C(C)C)c1 ZINC000019970235 170953007 /nfs/dbraw/zinc/95/30/07/170953007.db2.gz YNRLTPMSZFYESS-AWEZNQCLSA-N 1 0 273.342 4.886 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000019978478 170957731 /nfs/dbraw/zinc/95/77/31/170957731.db2.gz DCVGMWHMRGVJEF-GXFFZTMASA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc2c(c1)CCC2 ZINC000019979104 262211157 /nfs/dbraw/zinc/21/11/57/262211157.db2.gz BRWPRNFUCPVYSZ-JLTOFOAXSA-N 1 0 277.411 4.513 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc2c(c1)CCC2 ZINC000019979108 262183888 /nfs/dbraw/zinc/18/38/88/262183888.db2.gz BRWPRNFUCPVYSZ-VBKZILBWSA-N 1 0 277.411 4.513 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc2c(c1)CCC2 ZINC000019979112 262183995 /nfs/dbraw/zinc/18/39/95/262183995.db2.gz BRWPRNFUCPVYSZ-VLIAUNLRSA-N 1 0 277.411 4.513 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc2c(c1)CCC2 ZINC000019979116 262183632 /nfs/dbraw/zinc/18/36/32/262183632.db2.gz BRWPRNFUCPVYSZ-XOBRGWDASA-N 1 0 277.411 4.513 10 0 CJAERO CCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000019979894 170958523 /nfs/dbraw/zinc/95/85/23/170958523.db2.gz NXPHLUQZUOAGSM-MAUKXSAKSA-N 1 0 275.436 4.534 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000019980515 170959074 /nfs/dbraw/zinc/95/90/74/170959074.db2.gz NKZUMOQOTWNSKB-HOTGVXAUSA-N 1 0 263.400 4.520 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000019980519 170959027 /nfs/dbraw/zinc/95/90/27/170959027.db2.gz NKZUMOQOTWNSKB-HZPDHXFCSA-N 1 0 263.400 4.520 10 0 CJAERO CCCCCOc1ccc(C[NH2+][C@@H](C)CCC)cc1 ZINC000019982211 184535308 /nfs/dbraw/zinc/53/53/08/184535308.db2.gz FECZRNHSJRYBND-HNNXBMFYSA-N 1 0 263.425 4.534 10 0 CJAERO CC[C@H](C)c1ccccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000019982637 170960059 /nfs/dbraw/zinc/96/00/59/170960059.db2.gz WGGMQLGXRBEHST-QILLFSRXSA-N 1 0 275.436 4.629 10 0 CJAERO CCCCC1CCC([C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000019982974 170959905 /nfs/dbraw/zinc/95/99/05/170959905.db2.gz SFHOWNZFUDOVCF-MQBCKMQZSA-N 1 0 263.400 4.822 10 0 CJAERO CCCCC1CCC([C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000019982980 170959769 /nfs/dbraw/zinc/95/97/69/170959769.db2.gz SFHOWNZFUDOVCF-KVULBXGLSA-N 1 0 263.400 4.822 10 0 CJAERO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1Cl ZINC000019984054 170960254 /nfs/dbraw/zinc/96/02/54/170960254.db2.gz NDAHKQRNJKTUBY-CYBMUJFWSA-N 1 0 298.817 4.715 10 0 CJAERO Clc1ccc(C[NH2+]C2CCCCCCC2)s1 ZINC000019985163 170960872 /nfs/dbraw/zinc/96/08/72/170960872.db2.gz QWAXROGNCVSDEI-UHFFFAOYSA-N 1 0 257.830 4.604 10 0 CJAERO CCCCC[NH2+][C@@H](CCCC)c1ccc(F)cc1 ZINC000019985670 170961028 /nfs/dbraw/zinc/96/10/28/170961028.db2.gz ZNANGPFLZMWXFC-INIZCTEOSA-N 1 0 251.389 4.837 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000019986000 170961255 /nfs/dbraw/zinc/96/12/55/170961255.db2.gz QMVJCCFOHYDXNE-USJZOSNVSA-N 1 0 277.427 4.937 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000019986352 170961191 /nfs/dbraw/zinc/96/11/91/170961191.db2.gz YXLDMONDVRTGEQ-DILPRVAGSA-N 1 0 283.459 4.942 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1C ZINC000019986752 262183915 /nfs/dbraw/zinc/18/39/15/262183915.db2.gz FKFZZBPLUZTYTJ-DNVCBOLYSA-N 1 0 265.400 4.642 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1C ZINC000019986756 262211423 /nfs/dbraw/zinc/21/14/23/262211423.db2.gz FKFZZBPLUZTYTJ-HNAYVOBHSA-N 1 0 265.400 4.642 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)cc1C ZINC000019986760 262211362 /nfs/dbraw/zinc/21/13/62/262211362.db2.gz FKFZZBPLUZTYTJ-BEFAXECRSA-N 1 0 265.400 4.642 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)cc1C ZINC000019986764 262183668 /nfs/dbraw/zinc/18/36/68/262183668.db2.gz FKFZZBPLUZTYTJ-KXBFYZLASA-N 1 0 265.400 4.642 10 0 CJAERO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000019987236 170961258 /nfs/dbraw/zinc/96/12/58/170961258.db2.gz GCVVTJNIHUYBPW-MRXNPFEDSA-N 1 0 281.443 4.877 10 0 CJAERO c1ccc(C([NH2+]C[C@H]2CC=CCC2)c2ccccc2)cc1 ZINC000019987370 170961500 /nfs/dbraw/zinc/96/15/00/170961500.db2.gz RHYJVGDUUAKQOX-KRWDZBQOSA-N 1 0 277.411 4.722 10 0 CJAERO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(OC)cc1 ZINC000019990024 170962272 /nfs/dbraw/zinc/96/22/72/170962272.db2.gz DCDBGHQRMXRLRV-BEFAXECRSA-N 1 0 283.415 4.540 10 0 CJAERO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1)c1ccc(OC)cc1 ZINC000019990026 170962389 /nfs/dbraw/zinc/96/23/89/170962389.db2.gz DCDBGHQRMXRLRV-HNAYVOBHSA-N 1 0 283.415 4.540 10 0 CJAERO CC[C@H]([NH2+]C[C@H](C)c1ccccc1)c1ccc(OC)cc1 ZINC000019990030 170962220 /nfs/dbraw/zinc/96/22/20/170962220.db2.gz DCDBGHQRMXRLRV-KXBFYZLASA-N 1 0 283.415 4.540 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019990359 170962248 /nfs/dbraw/zinc/96/22/48/170962248.db2.gz ZLVMFRJQOQGWGH-KURKYZTESA-N 1 0 271.448 4.868 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019990362 170962502 /nfs/dbraw/zinc/96/25/02/170962502.db2.gz ZLVMFRJQOQGWGH-KSZLIROESA-N 1 0 271.448 4.868 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000019990368 170962280 /nfs/dbraw/zinc/96/22/80/170962280.db2.gz ZLVMFRJQOQGWGH-RCCFBDPRSA-N 1 0 271.448 4.868 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCCc2occc21 ZINC000019990609 170962434 /nfs/dbraw/zinc/96/24/34/170962434.db2.gz FGLINXNAGNPFFK-MRXNPFEDSA-N 1 0 263.425 4.707 10 0 CJAERO Fc1ccc([C@@H]([NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000019992490 170963070 /nfs/dbraw/zinc/96/30/70/170963070.db2.gz FJTNQUYWCATPLF-IBGZPJMESA-N 1 0 283.390 4.837 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000019992562 170962959 /nfs/dbraw/zinc/96/29/59/170962959.db2.gz DCCSETQJMNZWLE-DLTLXFJOSA-N 1 0 263.400 4.691 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000019992565 170963087 /nfs/dbraw/zinc/96/30/87/170963087.db2.gz DCCSETQJMNZWLE-OSRSDYAFSA-N 1 0 263.400 4.691 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000019992571 170963046 /nfs/dbraw/zinc/96/30/46/170963046.db2.gz DCCSETQJMNZWLE-OQUILHJVSA-N 1 0 263.400 4.691 10 0 CJAERO CC(C)C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000019993426 170962937 /nfs/dbraw/zinc/96/29/37/170962937.db2.gz JFHDXXQEHZAWLW-LJQANCHMSA-N 1 0 285.406 4.745 10 0 CJAERO CC[C@@H](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000019994352 170963684 /nfs/dbraw/zinc/96/36/84/170963684.db2.gz HLYKUWFGKAHXLM-LZQZEXGQSA-N 1 0 267.416 4.825 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000019994376 170963608 /nfs/dbraw/zinc/96/36/08/170963608.db2.gz VYVHUNCYKOKORK-IAGOWNOFSA-N 1 0 277.427 4.563 10 0 CJAERO C[C@H]([NH2+]CCC1=CCCCC1)c1cccc(Cl)c1 ZINC000019994908 170963851 /nfs/dbraw/zinc/96/38/51/170963851.db2.gz NZVUHMPHDXLEJO-ZDUSSCGKSA-N 1 0 263.812 4.881 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000019994947 170963885 /nfs/dbraw/zinc/96/38/85/170963885.db2.gz CZOWZBHDVUSBRR-JKSUJKDBSA-N 1 0 251.458 4.904 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019996070 262184546 /nfs/dbraw/zinc/18/45/46/262184546.db2.gz ATXLRLXOSKRZLF-CYBMUJFWSA-N 1 0 293.332 4.865 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019996074 262184811 /nfs/dbraw/zinc/18/48/11/262184811.db2.gz ATXLRLXOSKRZLF-ZDUSSCGKSA-N 1 0 293.332 4.865 10 0 CJAERO CCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000019996477 170964302 /nfs/dbraw/zinc/96/43/02/170964302.db2.gz OCFGWQMMVFMDPY-GJYPPUQNSA-N 1 0 289.463 4.780 10 0 CJAERO CCCC1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000019997515 170964355 /nfs/dbraw/zinc/96/43/55/170964355.db2.gz IGQHYOGYPNURRQ-KLHKWILBSA-N 1 0 259.437 4.739 10 0 CJAERO C[C@H]([NH2+]CCc1cccs1)c1ccc2ccccc2c1 ZINC000019997999 170964823 /nfs/dbraw/zinc/96/48/23/170964823.db2.gz LBVFCNSMJVMISY-AWEZNQCLSA-N 1 0 281.424 4.795 10 0 CJAERO Cc1ccc(O[C@H]2CCCCCCCCCC[C@@H]2[NH3+])cc1 ZINC000019998132 170964851 /nfs/dbraw/zinc/96/48/51/170964851.db2.gz NCOREOFHUVVDAC-OALUTQOASA-N 1 0 289.463 4.984 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000019998412 170964876 /nfs/dbraw/zinc/96/48/76/170964876.db2.gz JZXAZFUIODUNCK-UMPJEAMMSA-N 1 0 277.477 4.884 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000019998417 170964815 /nfs/dbraw/zinc/96/48/15/170964815.db2.gz JZXAZFUIODUNCK-FHIRATQRSA-N 1 0 277.477 4.884 10 0 CJAERO CCCCCOc1ccc(C[NH2+]C(C)(C)CC)cc1 ZINC000019998806 170965242 /nfs/dbraw/zinc/96/52/42/170965242.db2.gz JTZXMZJBLLAHHU-UHFFFAOYSA-N 1 0 263.425 4.534 10 0 CJAERO CCCCc1ccc([C@H]([NH3+])CC2CCCCC2)cc1 ZINC000019999637 170965444 /nfs/dbraw/zinc/96/54/44/170965444.db2.gz HAGJBMZGGMSBLQ-GOSISDBHSA-N 1 0 259.437 4.999 10 0 CJAERO Cc1ccc(C)c(Sc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000019999758 170965826 /nfs/dbraw/zinc/96/58/26/170965826.db2.gz WWNCQDSNMWWAPX-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000019999976 170965721 /nfs/dbraw/zinc/96/57/21/170965721.db2.gz HNKGQEFJBSYWLR-JQHSSLGASA-N 1 0 259.437 4.545 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(F)cc1 ZINC000020001071 170965866 /nfs/dbraw/zinc/96/58/66/170965866.db2.gz YRGITJIBXMANCS-WWGRRREGSA-N 1 0 263.400 4.691 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)c1ccc(F)cc1 ZINC000020001075 170965727 /nfs/dbraw/zinc/96/57/27/170965727.db2.gz YRGITJIBXMANCS-XEZPLFJOSA-N 1 0 263.400 4.691 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000020001116 170965731 /nfs/dbraw/zinc/96/57/31/170965731.db2.gz XYJHPAGYPDYKLF-UHFFFAOYSA-N 1 0 277.427 4.910 10 0 CJAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000020001307 262223775 /nfs/dbraw/zinc/22/37/75/262223775.db2.gz ZXFPLWASIRCANG-KBPBESRZSA-N 1 0 289.369 4.637 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000020001310 262185023 /nfs/dbraw/zinc/18/50/23/262185023.db2.gz ZXFPLWASIRCANG-KGLIPLIRSA-N 1 0 289.369 4.637 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000020001313 262223780 /nfs/dbraw/zinc/22/37/80/262223780.db2.gz ZXFPLWASIRCANG-UONOGXRCSA-N 1 0 289.369 4.637 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000020001316 262184965 /nfs/dbraw/zinc/18/49/65/262184965.db2.gz ZXFPLWASIRCANG-ZIAGYGMSSA-N 1 0 289.369 4.637 10 0 CJAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)c1cccs1 ZINC000020002026 170966355 /nfs/dbraw/zinc/96/63/55/170966355.db2.gz OSTGTVINYOKYEQ-RWMBFGLXSA-N 1 0 251.439 4.614 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020003778 170966821 /nfs/dbraw/zinc/96/68/21/170966821.db2.gz ZCOMEQGTFRIICN-JCGIZDLHSA-N 1 0 257.421 4.622 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc2c(c1)CCCC2 ZINC000020003970 170966458 /nfs/dbraw/zinc/96/64/58/170966458.db2.gz GOBCPBISKKIDRD-OAHLLOKOSA-N 1 0 271.448 4.939 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc2c(c1)CCCC2 ZINC000020003973 170966638 /nfs/dbraw/zinc/96/66/38/170966638.db2.gz GOBCPBISKKIDRD-HNNXBMFYSA-N 1 0 271.448 4.939 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000020004738 170966930 /nfs/dbraw/zinc/96/69/30/170966930.db2.gz TUFMJTCFRUIIRN-RLFYNMQTSA-N 1 0 259.437 4.724 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1Br ZINC000020004754 170967052 /nfs/dbraw/zinc/96/70/52/170967052.db2.gz QUMJCDQYJHUKIN-OTTFEQOBSA-N 1 0 296.252 4.678 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2Cl)cc1 ZINC000020004903 170967060 /nfs/dbraw/zinc/96/70/60/170967060.db2.gz YCBYKTKRHNKDBQ-OAHLLOKOSA-N 1 0 280.198 4.604 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020005210 170967012 /nfs/dbraw/zinc/96/70/12/170967012.db2.gz UWPLVERPPGAOLG-FXUDXRNXSA-N 1 0 251.458 4.760 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020005216 170967018 /nfs/dbraw/zinc/96/70/18/170967018.db2.gz UWPLVERPPGAOLG-QKPAOTATSA-N 1 0 251.458 4.760 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]CCc2cccs2)c(C)c1 ZINC000020005757 170967298 /nfs/dbraw/zinc/96/72/98/170967298.db2.gz FXLSFUWIPRNEJW-HNNXBMFYSA-N 1 0 273.445 4.567 10 0 CJAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000020008161 170967997 /nfs/dbraw/zinc/96/79/97/170967997.db2.gz DHYYORZXGKATLT-UONOGXRCSA-N 1 0 271.404 4.688 10 0 CJAERO Fc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000020009785 170968374 /nfs/dbraw/zinc/96/83/74/170968374.db2.gz SFTAMRREJHUMSQ-UHFFFAOYSA-N 1 0 293.813 4.538 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000020010324 170968334 /nfs/dbraw/zinc/96/83/34/170968334.db2.gz NNHGQCCMICQDKM-ZDUSSCGKSA-N 1 0 298.268 4.754 10 0 CJAERO CC[C@@H]([NH2+]CCc1ccccc1F)c1ccc(Cl)cc1 ZINC000020010577 170968479 /nfs/dbraw/zinc/96/84/79/170968479.db2.gz GRTXUWANBVUERU-QGZVFWFLSA-N 1 0 291.797 4.763 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000020012642 170969265 /nfs/dbraw/zinc/96/92/65/170969265.db2.gz UBSGVGXJMLLDSN-CBCUQQMYSA-N 1 0 263.400 4.835 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000020012839 170969156 /nfs/dbraw/zinc/96/91/56/170969156.db2.gz IUQBIFANHKBVMB-IRXDYDNUSA-N 1 0 267.416 4.667 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000020012843 170969299 /nfs/dbraw/zinc/96/92/99/170969299.db2.gz IUQBIFANHKBVMB-DLBZAZTESA-N 1 0 267.416 4.667 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000020012846 170969232 /nfs/dbraw/zinc/96/92/32/170969232.db2.gz IUQBIFANHKBVMB-IAGOWNOFSA-N 1 0 267.416 4.667 10 0 CJAERO Cc1ccc(C)c([C@H]([NH2+]CC(C)C)c2ccccc2)c1 ZINC000020013397 170969606 /nfs/dbraw/zinc/96/96/06/170969606.db2.gz CKGPHZILABBDMA-LJQANCHMSA-N 1 0 267.416 4.638 10 0 CJAERO CCC(CC)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000020014137 170969651 /nfs/dbraw/zinc/96/96/51/170969651.db2.gz BYTQVTFEQUIPBN-UHFFFAOYSA-N 1 0 283.415 4.544 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000020014166 170969578 /nfs/dbraw/zinc/96/95/78/170969578.db2.gz RIFODSMVLXOBOF-JJTUDDRGSA-N 1 0 251.458 4.616 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000020014169 170969577 /nfs/dbraw/zinc/96/95/77/170969577.db2.gz RIFODSMVLXOBOF-SIRPWMCASA-N 1 0 251.458 4.616 10 0 CJAERO CCC[C@@H](C)[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000020014369 170969639 /nfs/dbraw/zinc/96/96/39/170969639.db2.gz VVWQXABEWZFZSR-CHWSQXEVSA-N 1 0 259.393 4.834 10 0 CJAERO CCC[C@H](C)[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000020014372 170969618 /nfs/dbraw/zinc/96/96/18/170969618.db2.gz VVWQXABEWZFZSR-QWHCGFSZSA-N 1 0 259.393 4.834 10 0 CJAERO CCCC(CCC)[NH2+][C@@H](C)c1ccccc1Cl ZINC000020014811 170969950 /nfs/dbraw/zinc/96/99/50/170969950.db2.gz UWDUGRDEGADKFJ-LBPRGKRZSA-N 1 0 253.817 4.959 10 0 CJAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCCCCC1 ZINC000020015421 170969800 /nfs/dbraw/zinc/96/98/00/170969800.db2.gz LGODNIYCBQPOEQ-IBGZPJMESA-N 1 0 287.447 4.775 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000020016252 262225472 /nfs/dbraw/zinc/22/54/72/262225472.db2.gz XQVYAQJCULNDFE-QZTJIDSGSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000020016255 262225374 /nfs/dbraw/zinc/22/53/74/262225374.db2.gz XQVYAQJCULNDFE-ZWKOTPCHSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000020016258 262225580 /nfs/dbraw/zinc/22/55/80/262225580.db2.gz XQVYAQJCULNDFE-MSOLQXFVSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000020016261 262225583 /nfs/dbraw/zinc/22/55/83/262225583.db2.gz XQVYAQJCULNDFE-ROUUACIJSA-N 1 0 269.363 4.554 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1cc(Cl)ccc1Cl ZINC000020018464 170970760 /nfs/dbraw/zinc/97/07/60/170970760.db2.gz VZXNXIZRTKMJAU-SECBINFHSA-N 1 0 282.170 4.805 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[C@@H]1C ZINC000020019344 170971107 /nfs/dbraw/zinc/97/11/07/170971107.db2.gz UCCWFDMMPHPZIQ-YWPYICTPSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccs1 ZINC000020019519 170971219 /nfs/dbraw/zinc/97/12/19/170971219.db2.gz LBDDEVLDVAGHJY-XJKSGUPXSA-N 1 0 271.429 4.866 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000020023202 170972158 /nfs/dbraw/zinc/97/21/58/170972158.db2.gz XWSKIRSGNAKBRS-NEWSRXKRSA-N 1 0 295.511 4.776 10 0 CJAERO CC(C)c1cccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020024051 170972057 /nfs/dbraw/zinc/97/20/57/170972057.db2.gz KEQWQLLJEQNXTA-RYQLBKOJSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1cccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020024063 170972138 /nfs/dbraw/zinc/97/21/38/170972138.db2.gz KEQWQLLJEQNXTA-NJAFHUGGSA-N 1 0 289.463 4.731 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000020121789 171001448 /nfs/dbraw/zinc/00/14/48/171001448.db2.gz IIBVMUSHPPEHLF-SUMWQHHRSA-N 1 0 288.822 4.927 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000020121791 171001334 /nfs/dbraw/zinc/00/13/34/171001334.db2.gz IIBVMUSHPPEHLF-GUYCJALGSA-N 1 0 288.822 4.927 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000020121793 171001080 /nfs/dbraw/zinc/00/10/80/171001080.db2.gz IIBVMUSHPPEHLF-CXAGYDPISA-N 1 0 288.822 4.927 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccc(Cl)cc1 ZINC000020121795 171001001 /nfs/dbraw/zinc/00/10/01/171001001.db2.gz IIBVMUSHPPEHLF-DYVFJYSZSA-N 1 0 288.822 4.927 10 0 CJAERO CCCC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121797 171001321 /nfs/dbraw/zinc/00/13/21/171001321.db2.gz PBYUKBYWUIKZMJ-KBXCAEBGSA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121798 171001016 /nfs/dbraw/zinc/00/10/16/171001016.db2.gz PBYUKBYWUIKZMJ-KSSFIOAISA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121799 171001208 /nfs/dbraw/zinc/00/12/08/171001208.db2.gz PBYUKBYWUIKZMJ-RDTXWAMCSA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121800 171001278 /nfs/dbraw/zinc/00/12/78/171001278.db2.gz PBYUKBYWUIKZMJ-KDOFPFPSSA-N 1 0 286.394 4.803 10 0 CJAERO CCCCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020121843 171001077 /nfs/dbraw/zinc/00/10/77/171001077.db2.gz VLUOIMIVDCHIRA-HZPDHXFCSA-N 1 0 282.431 4.836 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121973 171002049 /nfs/dbraw/zinc/00/20/49/171002049.db2.gz XWRHYEJZWMZMIV-YVEFUNNKSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121974 171001760 /nfs/dbraw/zinc/00/17/60/171001760.db2.gz XWRHYEJZWMZMIV-SJCJKPOMSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121975 171001908 /nfs/dbraw/zinc/00/19/08/171001908.db2.gz XWRHYEJZWMZMIV-SJKOYZFVSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121976 171002084 /nfs/dbraw/zinc/00/20/84/171002084.db2.gz XWRHYEJZWMZMIV-PXAZEXFGSA-N 1 0 289.806 4.848 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000020122007 171001925 /nfs/dbraw/zinc/00/19/25/171001925.db2.gz BEANGJCCKHOXKD-MLGOLLRUSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000020122008 171002142 /nfs/dbraw/zinc/00/21/42/171002142.db2.gz BEANGJCCKHOXKD-BLLLJJGKSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000020122009 171001865 /nfs/dbraw/zinc/00/18/65/171001865.db2.gz BEANGJCCKHOXKD-WBMJQRKESA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000020122010 171002161 /nfs/dbraw/zinc/00/21/61/171002161.db2.gz BEANGJCCKHOXKD-LRDDRELGSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000020122025 171001803 /nfs/dbraw/zinc/00/18/03/171001803.db2.gz FPNLDLUBYMZETM-CYBMUJFWSA-N 1 0 296.801 4.739 10 0 CJAERO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000020122026 171002035 /nfs/dbraw/zinc/00/20/35/171002035.db2.gz FPNLDLUBYMZETM-ZDUSSCGKSA-N 1 0 296.801 4.739 10 0 CJAERO CCCC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020123919 171005868 /nfs/dbraw/zinc/00/58/68/171005868.db2.gz AOTISYRZQRJSHV-KBXCAEBGSA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020123920 171005558 /nfs/dbraw/zinc/00/55/58/171005558.db2.gz AOTISYRZQRJSHV-KSSFIOAISA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020123921 171005320 /nfs/dbraw/zinc/00/53/20/171005320.db2.gz AOTISYRZQRJSHV-RDTXWAMCSA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020123922 171005691 /nfs/dbraw/zinc/00/56/91/171005691.db2.gz AOTISYRZQRJSHV-KDOFPFPSSA-N 1 0 286.394 4.803 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124078 171005826 /nfs/dbraw/zinc/00/58/26/171005826.db2.gz VCNWADBMSRPCCV-YVEFUNNKSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124079 171005467 /nfs/dbraw/zinc/00/54/67/171005467.db2.gz VCNWADBMSRPCCV-SJCJKPOMSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124080 171005926 /nfs/dbraw/zinc/00/59/26/171005926.db2.gz VCNWADBMSRPCCV-SJKOYZFVSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124081 171005327 /nfs/dbraw/zinc/00/53/27/171005327.db2.gz VCNWADBMSRPCCV-PXAZEXFGSA-N 1 0 289.806 4.848 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1Cl ZINC000020124112 171005788 /nfs/dbraw/zinc/00/57/88/171005788.db2.gz WMODAIGHGPAQDH-MLGOLLRUSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1Cl ZINC000020124113 171005486 /nfs/dbraw/zinc/00/54/86/171005486.db2.gz WMODAIGHGPAQDH-BLLLJJGKSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1Cl ZINC000020124114 171005886 /nfs/dbraw/zinc/00/58/86/171005886.db2.gz WMODAIGHGPAQDH-WBMJQRKESA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1Cl ZINC000020124115 171005605 /nfs/dbraw/zinc/00/56/05/171005605.db2.gz WMODAIGHGPAQDH-LRDDRELGSA-N 1 0 287.790 4.514 10 0 CJAERO Cc1ccsc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020124185 171006662 /nfs/dbraw/zinc/00/66/62/171006662.db2.gz YGTBXLBJAOSPRN-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020124210 171006560 /nfs/dbraw/zinc/00/65/60/171006560.db2.gz UJOSFOGOPSOBBC-QWHCGFSZSA-N 1 0 289.806 4.760 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020124211 171006399 /nfs/dbraw/zinc/00/63/99/171006399.db2.gz UJOSFOGOPSOBBC-STQMWFEESA-N 1 0 289.806 4.760 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cccs1 ZINC000020124235 171006308 /nfs/dbraw/zinc/00/63/08/171006308.db2.gz MESBBFDXIRZIET-QWRGUYRKSA-N 1 0 265.809 4.813 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cccs1 ZINC000020124237 171006593 /nfs/dbraw/zinc/00/65/93/171006593.db2.gz MESBBFDXIRZIET-WDEREUQCSA-N 1 0 265.809 4.813 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)o1 ZINC000020124261 171006011 /nfs/dbraw/zinc/00/60/11/171006011.db2.gz UEOVMVVABLBNPE-RYUDHWBXSA-N 1 0 263.768 4.653 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)o1 ZINC000020124263 171006657 /nfs/dbraw/zinc/00/66/57/171006657.db2.gz UEOVMVVABLBNPE-NWDGAFQWSA-N 1 0 263.768 4.653 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124268 171006590 /nfs/dbraw/zinc/00/65/90/171006590.db2.gz XNKLEERRKMFEDI-YVEFUNNKSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124269 171006241 /nfs/dbraw/zinc/00/62/41/171006241.db2.gz XNKLEERRKMFEDI-SJCJKPOMSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124270 171006362 /nfs/dbraw/zinc/00/63/62/171006362.db2.gz XNKLEERRKMFEDI-SJKOYZFVSA-N 1 0 289.806 4.848 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124271 171006092 /nfs/dbraw/zinc/00/60/92/171006092.db2.gz XNKLEERRKMFEDI-PXAZEXFGSA-N 1 0 289.806 4.848 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000020124302 171006525 /nfs/dbraw/zinc/00/65/25/171006525.db2.gz FRRNVVPYMQYRSS-MLGOLLRUSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000020124303 171006292 /nfs/dbraw/zinc/00/62/92/171006292.db2.gz FRRNVVPYMQYRSS-BLLLJJGKSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000020124304 171006176 /nfs/dbraw/zinc/00/61/76/171006176.db2.gz FRRNVVPYMQYRSS-WBMJQRKESA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000020124305 171006424 /nfs/dbraw/zinc/00/64/24/171006424.db2.gz FRRNVVPYMQYRSS-LRDDRELGSA-N 1 0 287.790 4.514 10 0 CJAERO C[C@H]([NH2+]Cc1cccc2cccnc21)c1cccc(Cl)c1 ZINC000020124321 171006496 /nfs/dbraw/zinc/00/64/96/171006496.db2.gz YVFGWHUXTVDADT-ZDUSSCGKSA-N 1 0 296.801 4.739 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000020126064 171009821 /nfs/dbraw/zinc/00/98/21/171009821.db2.gz JDHHLYCOUQUMMJ-ZJUUUORDSA-N 1 0 284.186 4.998 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000020126065 171009459 /nfs/dbraw/zinc/00/94/59/171009459.db2.gz JDHHLYCOUQUMMJ-UWVGGRQHSA-N 1 0 284.186 4.998 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000020126066 171009918 /nfs/dbraw/zinc/00/99/18/171009918.db2.gz JDHHLYCOUQUMMJ-NXEZZACHSA-N 1 0 284.186 4.998 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000020126067 171009965 /nfs/dbraw/zinc/00/99/65/171009965.db2.gz JDHHLYCOUQUMMJ-VHSXEESVSA-N 1 0 284.186 4.998 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000020126072 171009391 /nfs/dbraw/zinc/00/93/91/171009391.db2.gz TTZGXJSGDOUORC-SNVBAGLBSA-N 1 0 296.197 4.550 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000020126073 171009442 /nfs/dbraw/zinc/00/94/42/171009442.db2.gz TTZGXJSGDOUORC-JTQLQIEISA-N 1 0 296.197 4.550 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccc(O)cc1 ZINC000020126230 171010311 /nfs/dbraw/zinc/01/03/11/171010311.db2.gz IKPDRZFSZUITDZ-KBXCAEBGSA-N 1 0 269.388 4.503 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1ccc(O)cc1 ZINC000020126231 171010345 /nfs/dbraw/zinc/01/03/45/171010345.db2.gz IKPDRZFSZUITDZ-KSSFIOAISA-N 1 0 269.388 4.503 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)c1ccc(O)cc1 ZINC000020126232 171010705 /nfs/dbraw/zinc/01/07/05/171010705.db2.gz IKPDRZFSZUITDZ-RDTXWAMCSA-N 1 0 269.388 4.503 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1ccc(O)cc1 ZINC000020126233 171010323 /nfs/dbraw/zinc/01/03/23/171010323.db2.gz IKPDRZFSZUITDZ-KDOFPFPSSA-N 1 0 269.388 4.503 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000020126264 171010521 /nfs/dbraw/zinc/01/05/21/171010521.db2.gz CXFATROPQWOPTA-OLZOCXBDSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000020126265 171010219 /nfs/dbraw/zinc/01/02/19/171010219.db2.gz CXFATROPQWOPTA-STQMWFEESA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000020126266 171010262 /nfs/dbraw/zinc/01/02/62/171010262.db2.gz CXFATROPQWOPTA-CHWSQXEVSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000020126267 171010651 /nfs/dbraw/zinc/01/06/51/171010651.db2.gz CXFATROPQWOPTA-QWHCGFSZSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020126298 171010624 /nfs/dbraw/zinc/01/06/24/171010624.db2.gz XAVBMUGIWYMYDK-KGLIPLIRSA-N 1 0 257.352 4.546 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020126299 171010266 /nfs/dbraw/zinc/01/02/66/171010266.db2.gz XAVBMUGIWYMYDK-KBPBESRZSA-N 1 0 257.352 4.546 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020126300 171010501 /nfs/dbraw/zinc/01/05/01/171010501.db2.gz XAVBMUGIWYMYDK-ZIAGYGMSSA-N 1 0 257.352 4.546 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020126301 171010237 /nfs/dbraw/zinc/01/02/37/171010237.db2.gz XAVBMUGIWYMYDK-UONOGXRCSA-N 1 0 257.352 4.546 10 0 CJAERO CSc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000020126346 171010394 /nfs/dbraw/zinc/01/03/94/171010394.db2.gz WEFXSCRAQSXSMQ-AWEZNQCLSA-N 1 0 271.429 4.568 10 0 CJAERO CSc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000020126347 171010320 /nfs/dbraw/zinc/01/03/20/171010320.db2.gz WEFXSCRAQSXSMQ-CQSZACIVSA-N 1 0 271.429 4.568 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1cccs1 ZINC000020126356 171010472 /nfs/dbraw/zinc/01/04/72/171010472.db2.gz NOPUSZLJLAMXAO-DZGCQCFKSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1cccs1 ZINC000020126357 171010211 /nfs/dbraw/zinc/01/02/11/171010211.db2.gz NOPUSZLJLAMXAO-ZFWWWQNUSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)c1cccs1 ZINC000020126358 171010192 /nfs/dbraw/zinc/01/01/92/171010192.db2.gz NOPUSZLJLAMXAO-UKRRQHHQSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1cccs1 ZINC000020126359 171010601 /nfs/dbraw/zinc/01/06/01/171010601.db2.gz NOPUSZLJLAMXAO-HIFRSBDPSA-N 1 0 259.418 4.858 10 0 CJAERO CCCC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020128011 171014132 /nfs/dbraw/zinc/01/41/32/171014132.db2.gz GXGMSLNXICIAKJ-KBXCAEBGSA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020128012 171013740 /nfs/dbraw/zinc/01/37/40/171013740.db2.gz GXGMSLNXICIAKJ-KSSFIOAISA-N 1 0 286.394 4.803 10 0 CJAERO CCCC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020128013 171013997 /nfs/dbraw/zinc/01/39/97/171013997.db2.gz GXGMSLNXICIAKJ-RDTXWAMCSA-N 1 0 286.394 4.803 10 0 CJAERO CC[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000020136093 171023643 /nfs/dbraw/zinc/02/36/43/171023643.db2.gz LMFMBJFWAFQBNZ-CQSZACIVSA-N 1 0 282.412 4.537 10 0 CJAERO CC[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000020136097 171023872 /nfs/dbraw/zinc/02/38/72/171023872.db2.gz LMFMBJFWAFQBNZ-AWEZNQCLSA-N 1 0 282.412 4.537 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3s2)c(C)c1 ZINC000020136233 262193432 /nfs/dbraw/zinc/19/34/32/262193432.db2.gz AIEZMWKYULMBMC-CQSZACIVSA-N 1 0 296.439 4.764 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3s2)c(C)c1 ZINC000020136237 262230780 /nfs/dbraw/zinc/23/07/80/262230780.db2.gz AIEZMWKYULMBMC-AWEZNQCLSA-N 1 0 296.439 4.764 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020136241 171023978 /nfs/dbraw/zinc/02/39/78/171023978.db2.gz IKXSMSAFNOYGAF-CQSZACIVSA-N 1 0 296.439 4.764 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020136244 171024190 /nfs/dbraw/zinc/02/41/90/171024190.db2.gz IKXSMSAFNOYGAF-AWEZNQCLSA-N 1 0 296.439 4.764 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3s2)cc1C ZINC000020136311 262230855 /nfs/dbraw/zinc/23/08/55/262230855.db2.gz XYKLDPPWPITOCA-CQSZACIVSA-N 1 0 296.439 4.764 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3s2)cc1C ZINC000020136315 262230966 /nfs/dbraw/zinc/23/09/66/262230966.db2.gz XYKLDPPWPITOCA-AWEZNQCLSA-N 1 0 296.439 4.764 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020136319 262193570 /nfs/dbraw/zinc/19/35/70/262193570.db2.gz TUXLTEOQZRKJKY-CYBMUJFWSA-N 1 0 296.439 4.710 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020136321 262230783 /nfs/dbraw/zinc/23/07/83/262230783.db2.gz TUXLTEOQZRKJKY-ZDUSSCGKSA-N 1 0 296.439 4.710 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccs1 ZINC000020145383 262231427 /nfs/dbraw/zinc/23/14/27/262231427.db2.gz YJOPAMBFRUPEMP-CYBMUJFWSA-N 1 0 297.370 4.590 10 0 CJAERO CC[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccs1 ZINC000020145385 262231461 /nfs/dbraw/zinc/23/14/61/262231461.db2.gz YJOPAMBFRUPEMP-ZDUSSCGKSA-N 1 0 297.370 4.590 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000020147948 171035064 /nfs/dbraw/zinc/03/50/64/171035064.db2.gz DUJZOMVHYYTGFQ-MNOVXSKESA-N 1 0 279.305 4.516 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000020147949 171034983 /nfs/dbraw/zinc/03/49/83/171034983.db2.gz DUJZOMVHYYTGFQ-QWRGUYRKSA-N 1 0 279.305 4.516 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000020147950 171034963 /nfs/dbraw/zinc/03/49/63/171034963.db2.gz DUJZOMVHYYTGFQ-GHMZBOCLSA-N 1 0 279.305 4.516 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000020147951 171035136 /nfs/dbraw/zinc/03/51/36/171035136.db2.gz DUJZOMVHYYTGFQ-WDEREUQCSA-N 1 0 279.305 4.516 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020147964 262194382 /nfs/dbraw/zinc/19/43/82/262194382.db2.gz RAHISEKUDBPRQG-UONOGXRCSA-N 1 0 287.378 4.636 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020147965 171035512 /nfs/dbraw/zinc/03/55/12/171035512.db2.gz RAHISEKUDBPRQG-KBPBESRZSA-N 1 0 287.378 4.636 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020147966 171035265 /nfs/dbraw/zinc/03/52/65/171035265.db2.gz RAHISEKUDBPRQG-ZIAGYGMSSA-N 1 0 287.378 4.636 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020147967 262194366 /nfs/dbraw/zinc/19/43/66/262194366.db2.gz RAHISEKUDBPRQG-KGLIPLIRSA-N 1 0 287.378 4.636 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccc(F)c1 ZINC000020147968 171035119 /nfs/dbraw/zinc/03/51/19/171035119.db2.gz LWDXSIJXGDINQK-MNOVXSKESA-N 1 0 279.305 4.516 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccc(F)c1 ZINC000020147969 171035478 /nfs/dbraw/zinc/03/54/78/171035478.db2.gz LWDXSIJXGDINQK-QWRGUYRKSA-N 1 0 279.305 4.516 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1cccc(F)c1 ZINC000020147970 171035338 /nfs/dbraw/zinc/03/53/38/171035338.db2.gz LWDXSIJXGDINQK-GHMZBOCLSA-N 1 0 279.305 4.516 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cc(F)ccc1F ZINC000020147971 171035603 /nfs/dbraw/zinc/03/56/03/171035603.db2.gz LWDXSIJXGDINQK-WDEREUQCSA-N 1 0 279.305 4.516 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cccs1 ZINC000020148147 171035765 /nfs/dbraw/zinc/03/57/65/171035765.db2.gz WQIVNVWBKDKTEM-CYBMUJFWSA-N 1 0 267.397 4.752 10 0 CJAERO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cccs1 ZINC000020148148 171036375 /nfs/dbraw/zinc/03/63/75/171036375.db2.gz WQIVNVWBKDKTEM-ZDUSSCGKSA-N 1 0 267.397 4.752 10 0 CJAERO COc1ccc2cc(C[NH2+][C@@H](C)c3cccs3)ccc2c1 ZINC000020148151 171035834 /nfs/dbraw/zinc/03/58/34/171035834.db2.gz BHTSTNIDMOKYMC-ZDUSSCGKSA-N 1 0 297.423 4.761 10 0 CJAERO COc1ccc2cc(C[NH2+][C@H](C)c3cccs3)ccc2c1 ZINC000020148152 171035961 /nfs/dbraw/zinc/03/59/61/171035961.db2.gz BHTSTNIDMOKYMC-CYBMUJFWSA-N 1 0 297.423 4.761 10 0 CJAERO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccs1 ZINC000020148169 171035965 /nfs/dbraw/zinc/03/59/65/171035965.db2.gz XORGPCNYVBGVKG-SNVBAGLBSA-N 1 0 285.334 4.618 10 0 CJAERO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1cccs1 ZINC000020148170 171035847 /nfs/dbraw/zinc/03/58/47/171035847.db2.gz XORGPCNYVBGVKG-JTQLQIEISA-N 1 0 285.334 4.618 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000020148221 171035728 /nfs/dbraw/zinc/03/57/28/171035728.db2.gz IQWYLQZZCNSYHF-SNVBAGLBSA-N 1 0 285.334 4.618 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000020148222 171036154 /nfs/dbraw/zinc/03/61/54/171036154.db2.gz IQWYLQZZCNSYHF-JTQLQIEISA-N 1 0 285.334 4.618 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)cc1 ZINC000020148340 171036095 /nfs/dbraw/zinc/03/60/95/171036095.db2.gz BGBGKZGZEIPOQC-SMDDNHRTSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)cc1 ZINC000020148341 171036353 /nfs/dbraw/zinc/03/63/53/171036353.db2.gz BGBGKZGZEIPOQC-FZMZJTMJSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccc(F)cc1 ZINC000020148342 171036040 /nfs/dbraw/zinc/03/60/40/171036040.db2.gz BGBGKZGZEIPOQC-BXUZGUMPSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccc(F)cc1 ZINC000020148343 171035973 /nfs/dbraw/zinc/03/59/73/171035973.db2.gz BGBGKZGZEIPOQC-RISCZKNCSA-N 1 0 263.381 4.689 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)c(C)c1 ZINC000020148390 171036416 /nfs/dbraw/zinc/03/64/16/171036416.db2.gz SRDXAXVFJACHCH-UONOGXRCSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)c(C)c1 ZINC000020148391 171036325 /nfs/dbraw/zinc/03/63/25/171036325.db2.gz SRDXAXVFJACHCH-KBPBESRZSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(C)c1 ZINC000020148392 171035753 /nfs/dbraw/zinc/03/57/53/171035753.db2.gz SRDXAXVFJACHCH-ZIAGYGMSSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(C)c1 ZINC000020148393 171036313 /nfs/dbraw/zinc/03/63/13/171036313.db2.gz SRDXAXVFJACHCH-KGLIPLIRSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000020148398 171035888 /nfs/dbraw/zinc/03/58/88/171035888.db2.gz NIMVVBIEWGNMGL-UONOGXRCSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148399 171036001 /nfs/dbraw/zinc/03/60/01/171036001.db2.gz NIMVVBIEWGNMGL-KBPBESRZSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000020148400 171036256 /nfs/dbraw/zinc/03/62/56/171036256.db2.gz NIMVVBIEWGNMGL-ZIAGYGMSSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148401 171036311 /nfs/dbraw/zinc/03/63/11/171036311.db2.gz NIMVVBIEWGNMGL-KGLIPLIRSA-N 1 0 259.418 4.777 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020148430 171036177 /nfs/dbraw/zinc/03/61/77/171036177.db2.gz ZRDKTMRMXYPYIZ-OLZOCXBDSA-N 1 0 275.417 4.559 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000020148431 171035818 /nfs/dbraw/zinc/03/58/18/171035818.db2.gz ZRDKTMRMXYPYIZ-STQMWFEESA-N 1 0 275.417 4.559 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020148432 171036391 /nfs/dbraw/zinc/03/63/91/171036391.db2.gz ZRDKTMRMXYPYIZ-CHWSQXEVSA-N 1 0 275.417 4.559 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020148433 521585896 /nfs/dbraw/zinc/58/58/96/521585896.db2.gz ZRDKTMRMXYPYIZ-QWHCGFSZSA-N 1 0 275.417 4.559 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000020148434 262232606 /nfs/dbraw/zinc/23/26/06/262232606.db2.gz ZWKYKSVFNSXHFX-KGLIPLIRSA-N 1 0 289.444 4.949 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000020148435 262232813 /nfs/dbraw/zinc/23/28/13/262232813.db2.gz ZWKYKSVFNSXHFX-KBPBESRZSA-N 1 0 289.444 4.949 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000020148436 262232788 /nfs/dbraw/zinc/23/27/88/262232788.db2.gz ZWKYKSVFNSXHFX-ZIAGYGMSSA-N 1 0 289.444 4.949 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000020148437 262194781 /nfs/dbraw/zinc/19/47/81/262194781.db2.gz ZWKYKSVFNSXHFX-UONOGXRCSA-N 1 0 289.444 4.949 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1C ZINC000020148504 171036601 /nfs/dbraw/zinc/03/66/01/171036601.db2.gz RVCRCJNIFONKEC-KGLIPLIRSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1C ZINC000020148505 171037240 /nfs/dbraw/zinc/03/72/40/171037240.db2.gz RVCRCJNIFONKEC-KBPBESRZSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)cc1C ZINC000020148506 171036765 /nfs/dbraw/zinc/03/67/65/171036765.db2.gz RVCRCJNIFONKEC-ZIAGYGMSSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)cc1C ZINC000020148507 171037095 /nfs/dbraw/zinc/03/70/95/171037095.db2.gz RVCRCJNIFONKEC-UONOGXRCSA-N 1 0 259.418 4.777 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000020148516 171037234 /nfs/dbraw/zinc/03/72/34/171037234.db2.gz DHFDUNAGGKWASK-OLZOCXBDSA-N 1 0 259.418 4.722 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000020148517 171036859 /nfs/dbraw/zinc/03/68/59/171036859.db2.gz DHFDUNAGGKWASK-STQMWFEESA-N 1 0 259.418 4.722 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000020148518 171036799 /nfs/dbraw/zinc/03/67/99/171036799.db2.gz DHFDUNAGGKWASK-CHWSQXEVSA-N 1 0 259.418 4.722 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000020148519 171036786 /nfs/dbraw/zinc/03/67/86/171036786.db2.gz DHFDUNAGGKWASK-QWHCGFSZSA-N 1 0 259.418 4.722 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)c(Cl)c1 ZINC000020148556 171036994 /nfs/dbraw/zinc/03/69/94/171036994.db2.gz NPZNTOJHSNFDOF-ZJUUUORDSA-N 1 0 283.799 4.952 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1cccs1 ZINC000020148557 171036730 /nfs/dbraw/zinc/03/67/30/171036730.db2.gz NPZNTOJHSNFDOF-UWVGGRQHSA-N 1 0 283.799 4.952 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1cccs1 ZINC000020148558 171036987 /nfs/dbraw/zinc/03/69/87/171036987.db2.gz NPZNTOJHSNFDOF-NXEZZACHSA-N 1 0 283.799 4.952 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1cccs1 ZINC000020148559 171036960 /nfs/dbraw/zinc/03/69/60/171036960.db2.gz NPZNTOJHSNFDOF-VHSXEESVSA-N 1 0 283.799 4.952 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccs1 ZINC000020148624 171036861 /nfs/dbraw/zinc/03/68/61/171036861.db2.gz XITVSKMIVUYKLL-WDEREUQCSA-N 1 0 251.420 4.612 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1cccs1 ZINC000020148625 171036954 /nfs/dbraw/zinc/03/69/54/171036954.db2.gz XITVSKMIVUYKLL-QWRGUYRKSA-N 1 0 251.420 4.612 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1cccs1 ZINC000020148626 171037223 /nfs/dbraw/zinc/03/72/23/171037223.db2.gz XITVSKMIVUYKLL-GHMZBOCLSA-N 1 0 251.420 4.612 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1cccs1 ZINC000020148627 171037252 /nfs/dbraw/zinc/03/72/52/171037252.db2.gz XITVSKMIVUYKLL-MNOVXSKESA-N 1 0 251.420 4.612 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc2c(c1)CCC2 ZINC000020148636 171036594 /nfs/dbraw/zinc/03/65/94/171036594.db2.gz LZIRQFYLNIEQAQ-OLZOCXBDSA-N 1 0 271.429 4.649 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1cccs1 ZINC000020148637 171036886 /nfs/dbraw/zinc/03/68/86/171036886.db2.gz LZIRQFYLNIEQAQ-STQMWFEESA-N 1 0 271.429 4.649 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1cccs1 ZINC000020148638 171036768 /nfs/dbraw/zinc/03/67/68/171036768.db2.gz LZIRQFYLNIEQAQ-CHWSQXEVSA-N 1 0 271.429 4.649 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1cccs1 ZINC000020148639 171036635 /nfs/dbraw/zinc/03/66/35/171036635.db2.gz LZIRQFYLNIEQAQ-QWHCGFSZSA-N 1 0 271.429 4.649 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020305233 171141933 /nfs/dbraw/zinc/14/19/33/171141933.db2.gz QKKPOOCKCZXCOZ-CYBMUJFWSA-N 1 0 253.817 4.789 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020305235 171141876 /nfs/dbraw/zinc/14/18/76/171141876.db2.gz QKKPOOCKCZXCOZ-ZDUSSCGKSA-N 1 0 253.817 4.789 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000020305242 171142021 /nfs/dbraw/zinc/14/20/21/171142021.db2.gz GEDMNYUXZSGHFK-CYBMUJFWSA-N 1 0 285.378 4.737 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000020305244 171141746 /nfs/dbraw/zinc/14/17/46/171141746.db2.gz GEDMNYUXZSGHFK-ZDUSSCGKSA-N 1 0 285.378 4.737 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020305248 171141490 /nfs/dbraw/zinc/14/14/90/171141490.db2.gz SEFXDRAVIJMGGU-CYBMUJFWSA-N 1 0 285.378 4.737 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020305250 171141577 /nfs/dbraw/zinc/14/15/77/171141577.db2.gz SEFXDRAVIJMGGU-ZDUSSCGKSA-N 1 0 285.378 4.737 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000020305487 171141974 /nfs/dbraw/zinc/14/19/74/171141974.db2.gz VHRAEXSPKCLBSI-CQSZACIVSA-N 1 0 271.379 4.800 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000020305488 262219604 /nfs/dbraw/zinc/21/96/04/262219604.db2.gz VHRAEXSPKCLBSI-AWEZNQCLSA-N 1 0 271.379 4.800 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc(C)c1O ZINC000020305546 171142209 /nfs/dbraw/zinc/14/22/09/171142209.db2.gz WJIAVOGHAJPKEL-ZDUSSCGKSA-N 1 0 289.806 4.513 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc2c(c1)CCCC2 ZINC000020306444 171142822 /nfs/dbraw/zinc/14/28/22/171142822.db2.gz XDHFJKAJVBBUSO-CQSZACIVSA-N 1 0 283.390 4.555 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc2c(c1)CCCC2 ZINC000020306446 171142939 /nfs/dbraw/zinc/14/29/39/171142939.db2.gz XDHFJKAJVBBUSO-AWEZNQCLSA-N 1 0 283.390 4.555 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000020306511 171142932 /nfs/dbraw/zinc/14/29/32/171142932.db2.gz JJXCIDYNCXBQMK-UHFFFAOYSA-N 1 0 277.427 4.910 10 0 CJAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020358683 171157496 /nfs/dbraw/zinc/15/74/96/171157496.db2.gz WMKJABSCGSVNHM-KGLIPLIRSA-N 1 0 251.389 4.835 10 0 CJAERO CCCCCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020361344 171159377 /nfs/dbraw/zinc/15/93/77/171159377.db2.gz TYOYIQFCNRLFKH-UHFFFAOYSA-N 1 0 274.235 4.706 10 0 CJAERO CCCC[NH+](CCCC)C1(CN)CCC(C(C)(C)C)CC1 ZINC000020362696 171161360 /nfs/dbraw/zinc/16/13/60/171161360.db2.gz PVOMNYVQEKPIAJ-UHFFFAOYSA-N 1 0 296.543 4.822 10 0 CJAERO CC(C)c1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369025 171167032 /nfs/dbraw/zinc/16/70/32/171167032.db2.gz GLZQCKIEEWUKTP-GOSISDBHSA-N 1 0 265.356 4.604 10 0 CJAERO CC(C)c1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369028 171166919 /nfs/dbraw/zinc/16/69/19/171166919.db2.gz GLZQCKIEEWUKTP-SFHVURJKSA-N 1 0 265.356 4.604 10 0 CJAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369076 171166746 /nfs/dbraw/zinc/16/67/46/171166746.db2.gz AMPJAMGNOSJNJU-GOSISDBHSA-N 1 0 279.383 4.778 10 0 CJAERO CC(C)(C)c1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369079 171166981 /nfs/dbraw/zinc/16/69/81/171166981.db2.gz AMPJAMGNOSJNJU-SFHVURJKSA-N 1 0 279.383 4.778 10 0 CJAERO [NH3+][C@@H](c1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000020369135 171167090 /nfs/dbraw/zinc/16/70/90/171167090.db2.gz VYXZVIAUQLRITG-VLZNNYHMSA-N 1 0 281.399 4.649 10 0 CJAERO [NH3+][C@H](c1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000020369139 171166806 /nfs/dbraw/zinc/16/68/06/171166806.db2.gz VYXZVIAUQLRITG-HPXCNGPASA-N 1 0 281.399 4.649 10 0 CJAERO [NH3+][C@@H](c1cc2ccccc2o1)c1cccc2ccccc21 ZINC000020369333 171166823 /nfs/dbraw/zinc/16/68/23/171166823.db2.gz PNHJFIGCVQYISY-LJQANCHMSA-N 1 0 273.335 4.634 10 0 CJAERO [NH3+][C@H](c1cc2ccccc2o1)c1cccc2ccccc21 ZINC000020369336 171166924 /nfs/dbraw/zinc/16/69/24/171166924.db2.gz PNHJFIGCVQYISY-IBGZPJMESA-N 1 0 273.335 4.634 10 0 CJAERO CC(C)c1ccc([C@@H]([NH3+])c2ccc(Cl)s2)cc1 ZINC000020374965 171170072 /nfs/dbraw/zinc/17/00/72/171170072.db2.gz NQAGDBPHTWEQAA-CQSZACIVSA-N 1 0 265.809 4.573 10 0 CJAERO CC(C)c1ccc([C@H]([NH3+])c2ccc(Cl)s2)cc1 ZINC000020374968 171170162 /nfs/dbraw/zinc/17/01/62/171170162.db2.gz NQAGDBPHTWEQAA-AWEZNQCLSA-N 1 0 265.809 4.573 10 0 CJAERO [NH3+][C@@H](CCC1CCCCC1)c1ccc(Cl)s1 ZINC000020375048 171170667 /nfs/dbraw/zinc/17/06/67/171170667.db2.gz WLJXIBKEAFVXGM-NSHDSACASA-N 1 0 257.830 4.762 10 0 CJAERO [NH3+][C@H](CCC1CCCCC1)c1ccc(Cl)s1 ZINC000020375052 171170502 /nfs/dbraw/zinc/17/05/02/171170502.db2.gz WLJXIBKEAFVXGM-LLVKDONJSA-N 1 0 257.830 4.762 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2 ZINC000020375070 171170193 /nfs/dbraw/zinc/17/01/93/171170193.db2.gz LETIKSGNODWNOA-IEAYVXOBSA-N 1 0 281.852 4.618 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2 ZINC000020375073 171170489 /nfs/dbraw/zinc/17/04/89/171170489.db2.gz LETIKSGNODWNOA-ZPZKJRJUSA-N 1 0 281.852 4.618 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC000020375076 171169981 /nfs/dbraw/zinc/16/99/81/171169981.db2.gz PIDFVMIUGUIPLC-NSHDSACASA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 ZINC000020375079 171170006 /nfs/dbraw/zinc/17/00/06/171170006.db2.gz PIDFVMIUGUIPLC-LLVKDONJSA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccc(Cl)cc1Cl ZINC000020375090 171170418 /nfs/dbraw/zinc/17/04/18/171170418.db2.gz JJKRUDQURKZINX-LLVKDONJSA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1ccc(Cl)cc1Cl ZINC000020375093 171170374 /nfs/dbraw/zinc/17/03/74/171170374.db2.gz JJKRUDQURKZINX-NSHDSACASA-N 1 0 292.618 4.756 10 0 CJAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccc(Cl)s2)cc1 ZINC000020375155 171170175 /nfs/dbraw/zinc/17/01/75/171170175.db2.gz GGQPZCPVENOPQV-CQSZACIVSA-N 1 0 279.836 4.747 10 0 CJAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccc(Cl)s2)cc1 ZINC000020375158 171170003 /nfs/dbraw/zinc/17/00/03/171170003.db2.gz GGQPZCPVENOPQV-AWEZNQCLSA-N 1 0 279.836 4.747 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1cc(Cl)cc(Cl)c1 ZINC000020375161 171170555 /nfs/dbraw/zinc/17/05/55/171170555.db2.gz IMNCWYWKKONHEG-NSHDSACASA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cc(Cl)cc(Cl)c1 ZINC000020375164 171170625 /nfs/dbraw/zinc/17/06/25/171170625.db2.gz IMNCWYWKKONHEG-LLVKDONJSA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1ccc2ccccc2c1 ZINC000020375184 171170541 /nfs/dbraw/zinc/17/05/41/171170541.db2.gz QYOZYNKVDODQRS-HNNXBMFYSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccc2ccccc2c1 ZINC000020375188 171170053 /nfs/dbraw/zinc/17/00/53/171170053.db2.gz QYOZYNKVDODQRS-OAHLLOKOSA-N 1 0 273.788 4.603 10 0 CJAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000020375192 171169998 /nfs/dbraw/zinc/16/99/98/171169998.db2.gz APKOPPMKLSKNLU-BXUZGUMPSA-N 1 0 265.809 4.595 10 0 CJAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000020375196 171170290 /nfs/dbraw/zinc/17/02/90/171170290.db2.gz APKOPPMKLSKNLU-SMDDNHRTSA-N 1 0 265.809 4.595 10 0 CJAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000020375201 171170430 /nfs/dbraw/zinc/17/04/30/171170430.db2.gz APKOPPMKLSKNLU-RISCZKNCSA-N 1 0 265.809 4.595 10 0 CJAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000020375205 171170587 /nfs/dbraw/zinc/17/05/87/171170587.db2.gz APKOPPMKLSKNLU-FZMZJTMJSA-N 1 0 265.809 4.595 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cccc2ccccc21 ZINC000020375209 171170317 /nfs/dbraw/zinc/17/03/17/171170317.db2.gz LCVCOCBLLYQSGT-OAHLLOKOSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1cccc2ccccc21 ZINC000020375212 171170353 /nfs/dbraw/zinc/17/03/53/171170353.db2.gz LCVCOCBLLYQSGT-HNNXBMFYSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cccc(Cl)c1Cl ZINC000020375216 171169985 /nfs/dbraw/zinc/16/99/85/171169985.db2.gz ACWJOCYKGSEQHN-LLVKDONJSA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1cccc(Cl)c1Cl ZINC000020375220 171170607 /nfs/dbraw/zinc/17/06/07/171170607.db2.gz ACWJOCYKGSEQHN-NSHDSACASA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1c(Cl)cccc1Cl ZINC000020375224 171170642 /nfs/dbraw/zinc/17/06/42/171170642.db2.gz XQDWZLVGIGWXPE-NSHDSACASA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1c(Cl)cccc1Cl ZINC000020375228 171170617 /nfs/dbraw/zinc/17/06/17/171170617.db2.gz XQDWZLVGIGWXPE-LLVKDONJSA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cc(Cl)ccc1Cl ZINC000020375255 171170552 /nfs/dbraw/zinc/17/05/52/171170552.db2.gz RBGHQYSLURVJRE-LLVKDONJSA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)s1)c1cc(Cl)ccc1Cl ZINC000020375259 171170349 /nfs/dbraw/zinc/17/03/49/171170349.db2.gz RBGHQYSLURVJRE-NSHDSACASA-N 1 0 292.618 4.756 10 0 CJAERO [NH3+][C@@H](CCC1CCCCC1)c1ccc2c(c1)CCC2 ZINC000020384525 171175317 /nfs/dbraw/zinc/17/53/17/171175317.db2.gz RTOMBNLNCCOSAB-SFHVURJKSA-N 1 0 257.421 4.536 10 0 CJAERO [NH3+][C@H](CCC1CCCCC1)c1ccc2c(c1)CCC2 ZINC000020384530 171175060 /nfs/dbraw/zinc/17/50/60/171175060.db2.gz RTOMBNLNCCOSAB-GOSISDBHSA-N 1 0 257.421 4.536 10 0 CJAERO CC(C)c1ccc2oc([C@@H]([NH3+])c3ccccc3)cc2c1 ZINC000020389522 171178270 /nfs/dbraw/zinc/17/82/70/171178270.db2.gz KEAOMUDLIYZVRP-SFHVURJKSA-N 1 0 265.356 4.604 10 0 CJAERO CC(C)c1ccc2oc([C@H]([NH3+])c3ccccc3)cc2c1 ZINC000020389527 171178260 /nfs/dbraw/zinc/17/82/60/171178260.db2.gz KEAOMUDLIYZVRP-GOSISDBHSA-N 1 0 265.356 4.604 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc3cc(C(C)C)ccc3o2)cc1 ZINC000020389532 171178109 /nfs/dbraw/zinc/17/81/09/171178109.db2.gz NIUYUNWCZGZLJJ-IBGZPJMESA-N 1 0 279.383 4.913 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc3cc(C(C)C)ccc3o2)cc1 ZINC000020389537 171178380 /nfs/dbraw/zinc/17/83/80/171178380.db2.gz NIUYUNWCZGZLJJ-LJQANCHMSA-N 1 0 279.383 4.913 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000020391452 171180219 /nfs/dbraw/zinc/18/02/19/171180219.db2.gz KYZBAVSXCHDEQW-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000020391455 171180305 /nfs/dbraw/zinc/18/03/05/171180305.db2.gz KYZBAVSXCHDEQW-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000020391509 171180253 /nfs/dbraw/zinc/18/02/53/171180253.db2.gz IZQJIGQYHDQPKL-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000020391512 171180190 /nfs/dbraw/zinc/18/01/90/171180190.db2.gz IZQJIGQYHDQPKL-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000020391519 171179983 /nfs/dbraw/zinc/17/99/83/171179983.db2.gz OCBQINMXNVBNFA-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000020391521 171180531 /nfs/dbraw/zinc/18/05/31/171180531.db2.gz OCBQINMXNVBNFA-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000020391567 171180468 /nfs/dbraw/zinc/18/04/68/171180468.db2.gz BGKFIKQAHJHBKK-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000020391570 171179954 /nfs/dbraw/zinc/17/99/54/171179954.db2.gz BGKFIKQAHJHBKK-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO Cc1cc(C)c(C)c(Oc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000020425614 171191956 /nfs/dbraw/zinc/19/19/56/171191956.db2.gz NGMRZMKDLMAUPS-ZDUSSCGKSA-N 1 0 273.351 4.563 10 0 CJAERO Cc1cc(C)c(C)c(Oc2ccc(F)cc2[C@@H](C)[NH3+])c1 ZINC000020425620 171192076 /nfs/dbraw/zinc/19/20/76/171192076.db2.gz SDICHVLOHIQYPD-CYBMUJFWSA-N 1 0 273.351 4.563 10 0 CJAERO Cc1cc(C)c(C)c(Oc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000020425624 171191976 /nfs/dbraw/zinc/19/19/76/171191976.db2.gz OSWVMFCHZCAWGQ-CYBMUJFWSA-N 1 0 273.351 4.563 10 0 CJAERO [NH3+]CC1(c2c(Cl)cccc2Cl)CCCCCC1 ZINC000020429486 171194688 /nfs/dbraw/zinc/19/46/88/171194688.db2.gz ZGHLSQVRFIKFBO-UHFFFAOYSA-N 1 0 272.219 4.544 10 0 CJAERO [NH3+]CC1(c2ccc(Cl)cc2Cl)CCCCCC1 ZINC000020429515 171194475 /nfs/dbraw/zinc/19/44/75/171194475.db2.gz SOYXLNXDWCWYBO-UHFFFAOYSA-N 1 0 272.219 4.544 10 0 CJAERO Cc1cc([C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)s1 ZINC000020431436 171195941 /nfs/dbraw/zinc/19/59/41/171195941.db2.gz NWMLCGCTCQYKAF-MRXNPFEDSA-N 1 0 259.418 4.536 10 0 CJAERO Cc1cc([C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)s1 ZINC000020431437 171196159 /nfs/dbraw/zinc/19/61/59/171196159.db2.gz NWMLCGCTCQYKAF-INIZCTEOSA-N 1 0 259.418 4.536 10 0 CJAERO Cc1cc([C@@H]([NH3+])CCC2CCCCC2)c(C)s1 ZINC000020431470 171196059 /nfs/dbraw/zinc/19/60/59/171196059.db2.gz SRTCGIGSXAZSST-HNNXBMFYSA-N 1 0 251.439 4.725 10 0 CJAERO Cc1cc([C@H]([NH3+])CCC2CCCCC2)c(C)s1 ZINC000020431471 171196225 /nfs/dbraw/zinc/19/62/25/171196225.db2.gz SRTCGIGSXAZSST-OAHLLOKOSA-N 1 0 251.439 4.725 10 0 CJAERO Cc1cc([C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c(C)s1 ZINC000020431478 171196021 /nfs/dbraw/zinc/19/60/21/171196021.db2.gz GGPBYDIHEVHRJY-QUZGTJOHSA-N 1 0 275.461 4.581 10 0 CJAERO Cc1cc([C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c(C)s1 ZINC000020431479 171196104 /nfs/dbraw/zinc/19/61/04/171196104.db2.gz GGPBYDIHEVHRJY-AIWVUANBSA-N 1 0 275.461 4.581 10 0 CJAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)c(C)s1 ZINC000020431484 171196194 /nfs/dbraw/zinc/19/61/94/171196194.db2.gz MOXWFPTVLLMHEP-ZDUSSCGKSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1cc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)c(C)s1 ZINC000020431485 171195902 /nfs/dbraw/zinc/19/59/02/171195902.db2.gz MOXWFPTVLLMHEP-CYBMUJFWSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)cc2Cl)c(C)s1 ZINC000020431488 171196210 /nfs/dbraw/zinc/19/62/10/171196210.db2.gz RICCDSBRLGDXCF-ZDUSSCGKSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1cc([C@H]([NH3+])c2ccc(Cl)cc2Cl)c(C)s1 ZINC000020431489 171196198 /nfs/dbraw/zinc/19/61/98/171196198.db2.gz RICCDSBRLGDXCF-CYBMUJFWSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H](C)CCCC(C)C)c(C)o1 ZINC000020439082 171203339 /nfs/dbraw/zinc/20/33/39/171203339.db2.gz ANROLXAUZYPCLW-OCCSQVGLSA-N 1 0 251.414 4.762 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H](C)CCCC(C)C)c(C)o1 ZINC000020439086 171203295 /nfs/dbraw/zinc/20/32/95/171203295.db2.gz ANROLXAUZYPCLW-JSGCOSHPSA-N 1 0 251.414 4.762 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@H](C)CCCC(C)C)c(C)o1 ZINC000020439090 171203037 /nfs/dbraw/zinc/20/30/37/171203037.db2.gz ANROLXAUZYPCLW-TZMCWYRMSA-N 1 0 251.414 4.762 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)c(C)o1 ZINC000020439093 171202976 /nfs/dbraw/zinc/20/29/76/171202976.db2.gz ANROLXAUZYPCLW-GXTWGEPZSA-N 1 0 251.414 4.762 10 0 CJAERO Cc1cc(Oc2cccc(Cl)c2C[NH3+])ccc1Cl ZINC000020469863 171211331 /nfs/dbraw/zinc/21/13/31/171211331.db2.gz PXZONMMVWZUAPN-UHFFFAOYSA-N 1 0 282.170 4.553 10 0 CJAERO CC(C)c1cccc(Oc2cccc(Cl)c2C[NH3+])c1 ZINC000020470199 171211295 /nfs/dbraw/zinc/21/12/95/171211295.db2.gz QMFMEBLYSBPFOI-UHFFFAOYSA-N 1 0 275.779 4.714 10 0 CJAERO Cc1cc(Cl)ccc1Oc1cccc(Cl)c1C[NH3+] ZINC000020470335 171212158 /nfs/dbraw/zinc/21/21/58/171212158.db2.gz KSMXBLUMXMQENG-UHFFFAOYSA-N 1 0 282.170 4.553 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000020473396 262241016 /nfs/dbraw/zinc/24/10/16/262241016.db2.gz KJNRFAOHSAOAGI-CQSZACIVSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000020473397 262241076 /nfs/dbraw/zinc/24/10/76/262241076.db2.gz KJNRFAOHSAOAGI-AWEZNQCLSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000020473404 171217634 /nfs/dbraw/zinc/21/76/34/171217634.db2.gz ZIRDLKNOWAERBN-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000020473405 171217698 /nfs/dbraw/zinc/21/76/98/171217698.db2.gz ZIRDLKNOWAERBN-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(OCc2ccc(C(C)C)cc2)cc1 ZINC000020475704 171220024 /nfs/dbraw/zinc/22/00/24/171220024.db2.gz ARGSEXAIXFAOFN-LJQANCHMSA-N 1 0 283.415 4.799 10 0 CJAERO CC[C@@H]([NH3+])c1ccccc1OCc1ccc(C(C)C)cc1 ZINC000020475708 171219757 /nfs/dbraw/zinc/21/97/57/171219757.db2.gz HTVFFUHKBAJSOS-GOSISDBHSA-N 1 0 283.415 4.799 10 0 CJAERO CCCCC[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020481268 171221631 /nfs/dbraw/zinc/22/16/31/171221631.db2.gz VBROYFZXPCUAPZ-GOSISDBHSA-N 1 0 253.389 4.934 10 0 CJAERO CCCCC[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020481270 171221931 /nfs/dbraw/zinc/22/19/31/171221931.db2.gz VBROYFZXPCUAPZ-SFHVURJKSA-N 1 0 253.389 4.934 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020482224 171223240 /nfs/dbraw/zinc/22/32/40/171223240.db2.gz JTXLPVPEVUIDFC-BXUZGUMPSA-N 1 0 284.241 4.665 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020482226 171222766 /nfs/dbraw/zinc/22/27/66/171222766.db2.gz JTXLPVPEVUIDFC-SMDDNHRTSA-N 1 0 284.241 4.665 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020482228 171223093 /nfs/dbraw/zinc/22/30/93/171223093.db2.gz JTXLPVPEVUIDFC-RISCZKNCSA-N 1 0 284.241 4.665 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020482230 171223232 /nfs/dbraw/zinc/22/32/32/171223232.db2.gz JTXLPVPEVUIDFC-FZMZJTMJSA-N 1 0 284.241 4.665 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020482696 171222893 /nfs/dbraw/zinc/22/28/93/171222893.db2.gz JEDOZFQHBBSNBC-RHSMWYFYSA-N 1 0 263.425 4.690 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020482698 171222849 /nfs/dbraw/zinc/22/28/49/171222849.db2.gz JEDOZFQHBBSNBC-WMLDXEAASA-N 1 0 263.425 4.690 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020482700 171222844 /nfs/dbraw/zinc/22/28/44/171222844.db2.gz JEDOZFQHBBSNBC-PBHICJAKSA-N 1 0 263.425 4.690 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000020482701 171223212 /nfs/dbraw/zinc/22/32/12/171223212.db2.gz JEDOZFQHBBSNBC-YOEHRIQHSA-N 1 0 263.425 4.690 10 0 CJAERO CCCCCCO[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000020512495 171231219 /nfs/dbraw/zinc/23/12/19/171231219.db2.gz CXQOKYYEYSNJCO-HRCADAONSA-N 1 0 269.473 4.516 10 0 CJAERO CCCCCCO[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000020512499 171231161 /nfs/dbraw/zinc/23/11/61/171231161.db2.gz CXQOKYYEYSNJCO-JYJNAYRXSA-N 1 0 269.473 4.516 10 0 CJAERO CCCCCCO[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000020512502 171231130 /nfs/dbraw/zinc/23/11/30/171231130.db2.gz CXQOKYYEYSNJCO-OWCLPIDISA-N 1 0 269.473 4.516 10 0 CJAERO CCCCCCO[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000020512505 171230839 /nfs/dbraw/zinc/23/08/39/171230839.db2.gz CXQOKYYEYSNJCO-PMPSAXMXSA-N 1 0 269.473 4.516 10 0 CJAERO CCCCCC[C@@H](C)Oc1cccc(F)c1[C@H](C)[NH3+] ZINC000020516979 171232766 /nfs/dbraw/zinc/23/27/66/171232766.db2.gz OABXOEMLRSIZKR-OLZOCXBDSA-N 1 0 267.388 4.583 10 0 CJAERO CCCCCC[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000020516989 171232648 /nfs/dbraw/zinc/23/26/48/171232648.db2.gz DOYFIOYORCCKOC-CHWSQXEVSA-N 1 0 267.388 4.583 10 0 CJAERO CCCCCC[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000020516990 171232715 /nfs/dbraw/zinc/23/27/15/171232715.db2.gz DOYFIOYORCCKOC-QWHCGFSZSA-N 1 0 267.388 4.583 10 0 CJAERO CCCCCC[C@@H](C)Oc1cccc(Cl)c1C[NH3+] ZINC000020517702 171233045 /nfs/dbraw/zinc/23/30/45/171233045.db2.gz LYLQPKJBHNWOIG-GFCCVEGCSA-N 1 0 269.816 4.536 10 0 CJAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000020520161 171233865 /nfs/dbraw/zinc/23/38/65/171233865.db2.gz HWNXQYBRNVDYIE-CABCVRRESA-N 1 0 263.425 4.705 10 0 CJAERO CCCCCC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000020520164 171233992 /nfs/dbraw/zinc/23/39/92/171233992.db2.gz HWNXQYBRNVDYIE-LSDHHAIUSA-N 1 0 263.425 4.705 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000020521748 171235311 /nfs/dbraw/zinc/23/53/11/171235311.db2.gz SMTPACKHKCSJNN-IAQYHMDHSA-N 1 0 269.816 4.565 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000020521749 171235270 /nfs/dbraw/zinc/23/52/70/171235270.db2.gz SMTPACKHKCSJNN-XHDPSFHLSA-N 1 0 269.816 4.565 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000020521750 171235028 /nfs/dbraw/zinc/23/50/28/171235028.db2.gz SMTPACKHKCSJNN-ABAIWWIYSA-N 1 0 269.816 4.565 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000020521751 171235110 /nfs/dbraw/zinc/23/51/10/171235110.db2.gz SMTPACKHKCSJNN-NHYWBVRUSA-N 1 0 269.816 4.565 10 0 CJAERO CC(C)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000020522574 171235626 /nfs/dbraw/zinc/23/56/26/171235626.db2.gz PGTNKDFFVFLMBZ-CRAIPNDOSA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)[C@H](C)[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000020522576 171235394 /nfs/dbraw/zinc/23/53/94/171235394.db2.gz PGTNKDFFVFLMBZ-MAUKXSAKSA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000020522578 171235527 /nfs/dbraw/zinc/23/55/27/171235527.db2.gz PGTNKDFFVFLMBZ-QAPCUYQASA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000020522580 171235730 /nfs/dbraw/zinc/23/57/30/171235730.db2.gz PGTNKDFFVFLMBZ-YJBOKZPZSA-N 1 0 259.437 4.942 10 0 CJAERO CCCC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000020522595 171235576 /nfs/dbraw/zinc/23/55/76/171235576.db2.gz QMWNTGTVPSBVDY-XJKSGUPXSA-N 1 0 251.389 4.691 10 0 CJAERO CCCC[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000020522597 171235398 /nfs/dbraw/zinc/23/53/98/171235398.db2.gz QMWNTGTVPSBVDY-BBRMVZONSA-N 1 0 251.389 4.691 10 0 CJAERO CCCC[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(F)cc1 ZINC000020522599 171235706 /nfs/dbraw/zinc/23/57/06/171235706.db2.gz QMWNTGTVPSBVDY-CZUORRHYSA-N 1 0 251.389 4.691 10 0 CJAERO CCCC[C@H]([NH2+][C@H](C)C(C)C)c1ccc(F)cc1 ZINC000020522601 171235498 /nfs/dbraw/zinc/23/54/98/171235498.db2.gz QMWNTGTVPSBVDY-CJNGLKHVSA-N 1 0 251.389 4.691 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000020522603 171235409 /nfs/dbraw/zinc/23/54/09/171235409.db2.gz BHFRLTHFBHJALM-SWLSCSKDSA-N 1 0 253.817 4.815 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000020522604 171235506 /nfs/dbraw/zinc/23/55/06/171235506.db2.gz BHFRLTHFBHJALM-WFASDCNBSA-N 1 0 253.817 4.815 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000020522605 171235758 /nfs/dbraw/zinc/23/57/58/171235758.db2.gz BHFRLTHFBHJALM-IUODEOHRSA-N 1 0 253.817 4.815 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)C(C)C)c1ccc(Cl)cc1 ZINC000020522606 171235582 /nfs/dbraw/zinc/23/55/82/171235582.db2.gz BHFRLTHFBHJALM-DOMZBBRYSA-N 1 0 253.817 4.815 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(Br)cc1 ZINC000020522978 171236127 /nfs/dbraw/zinc/23/61/27/171236127.db2.gz UIHXCKSEINDTLM-SMDDNHRTSA-N 1 0 284.241 4.534 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(Br)cc1 ZINC000020522980 171235903 /nfs/dbraw/zinc/23/59/03/171235903.db2.gz UIHXCKSEINDTLM-FZMZJTMJSA-N 1 0 284.241 4.534 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(Br)cc1 ZINC000020522982 171235846 /nfs/dbraw/zinc/23/58/46/171235846.db2.gz UIHXCKSEINDTLM-BXUZGUMPSA-N 1 0 284.241 4.534 10 0 CJAERO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccc(Br)cc1 ZINC000020522984 171235870 /nfs/dbraw/zinc/23/58/70/171235870.db2.gz UIHXCKSEINDTLM-RISCZKNCSA-N 1 0 284.241 4.534 10 0 CJAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000020523156 171235861 /nfs/dbraw/zinc/23/58/61/171235861.db2.gz YICAWDOKJOTHRQ-VHSXEESVSA-N 1 0 260.208 4.689 10 0 CJAERO CC(C)[NH2+]CCOc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000020525034 171238245 /nfs/dbraw/zinc/23/82/45/171238245.db2.gz DMVBFBJBOJCJBB-UHFFFAOYSA-N 1 0 291.479 4.658 10 0 CJAERO CCC[NH2+]CCOc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000020525035 171238133 /nfs/dbraw/zinc/23/81/33/171238133.db2.gz CKNXIHBGYJPOLG-UHFFFAOYSA-N 1 0 291.479 4.660 10 0 CJAERO CC1(C)CC[C@@H]([NH2+]C2CCCCC2)c2ccccc21 ZINC000020525513 171238144 /nfs/dbraw/zinc/23/81/44/171238144.db2.gz WXAFTUZDQADEKS-QGZVFWFLSA-N 1 0 257.421 4.721 10 0 CJAERO CC1(C)CC[C@H]([NH2+]C2CCCCC2)c2ccccc21 ZINC000020525514 171238054 /nfs/dbraw/zinc/23/80/54/171238054.db2.gz WXAFTUZDQADEKS-KRWDZBQOSA-N 1 0 257.421 4.721 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1C ZINC000020544555 171243182 /nfs/dbraw/zinc/24/31/82/171243182.db2.gz FVAXEJXPDUHGPB-IWEFOYFVSA-N 1 0 259.437 4.841 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1C ZINC000020544559 171243028 /nfs/dbraw/zinc/24/30/28/171243028.db2.gz FVAXEJXPDUHGPB-ULFGMLNVSA-N 1 0 259.437 4.841 10 0 CJAERO CCc1ccc([C@@H]([NH2+]C[C@H]2CC=CCC2)C(C)C)cc1 ZINC000020544746 171242785 /nfs/dbraw/zinc/24/27/85/171242785.db2.gz QHSZYWQZKUJXAA-HKUYNNGSSA-N 1 0 271.448 4.892 10 0 CJAERO CCc1ccc([C@H]([NH2+]C[C@H]2CC=CCC2)C(C)C)cc1 ZINC000020544748 171242824 /nfs/dbraw/zinc/24/28/24/171242824.db2.gz QHSZYWQZKUJXAA-PKOBYXMFSA-N 1 0 271.448 4.892 10 0 CJAERO CCc1ccc([C@@H]([NH2+]C[C@@H]2CC=CCC2)C(C)C)cc1 ZINC000020544750 171242808 /nfs/dbraw/zinc/24/28/08/171242808.db2.gz QHSZYWQZKUJXAA-MJGOQNOKSA-N 1 0 271.448 4.892 10 0 CJAERO CCc1ccc([C@H]([NH2+]C[C@@H]2CC=CCC2)C(C)C)cc1 ZINC000020544752 171243231 /nfs/dbraw/zinc/24/32/31/171243231.db2.gz QHSZYWQZKUJXAA-IEBWSBKVSA-N 1 0 271.448 4.892 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)cc1 ZINC000020544936 171242821 /nfs/dbraw/zinc/24/28/21/171242821.db2.gz CHWALDQFMIJBQR-OAHLLOKOSA-N 1 0 280.198 4.604 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)cc1 ZINC000020544938 171243037 /nfs/dbraw/zinc/24/30/37/171243037.db2.gz CHWALDQFMIJBQR-HNNXBMFYSA-N 1 0 280.198 4.604 10 0 CJAERO Clc1ccc(CC[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000020544960 171243050 /nfs/dbraw/zinc/24/30/50/171243050.db2.gz WFLHOLZANXOKCV-UHFFFAOYSA-N 1 0 286.246 4.848 10 0 CJAERO COc1ccc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C)ccc2c1 ZINC000020544977 171242863 /nfs/dbraw/zinc/24/28/63/171242863.db2.gz AXWZVJTUGQJLRD-IFXJQAMLSA-N 1 0 283.415 4.517 10 0 CJAERO COc1ccc2cc(C[NH2+][C@H]3CCCC[C@@H]3C)ccc2c1 ZINC000020544979 171243236 /nfs/dbraw/zinc/24/32/36/171243236.db2.gz AXWZVJTUGQJLRD-LIRRHRJNSA-N 1 0 283.415 4.517 10 0 CJAERO COc1ccc2cc(C[NH2+][C@@H]3CCCC[C@H]3C)ccc2c1 ZINC000020544981 171242940 /nfs/dbraw/zinc/24/29/40/171242940.db2.gz AXWZVJTUGQJLRD-AUUYWEPGSA-N 1 0 283.415 4.517 10 0 CJAERO COc1ccc2cc(C[NH2+][C@H]3CCCC[C@H]3C)ccc2c1 ZINC000020544983 171243148 /nfs/dbraw/zinc/24/31/48/171243148.db2.gz AXWZVJTUGQJLRD-KUHUBIRLSA-N 1 0 283.415 4.517 10 0 CJAERO CC(C)c1ccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020545058 171242802 /nfs/dbraw/zinc/24/28/02/171242802.db2.gz GLJZQSARDJAGPN-RYQLBKOJSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1ccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020545059 171243036 /nfs/dbraw/zinc/24/30/36/171243036.db2.gz GLJZQSARDJAGPN-SZMVWBNQSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1ccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020545060 171242875 /nfs/dbraw/zinc/24/28/75/171242875.db2.gz GLJZQSARDJAGPN-BPQIPLTHSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1ccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000020545061 171243163 /nfs/dbraw/zinc/24/31/63/171243163.db2.gz GLJZQSARDJAGPN-NJAFHUGGSA-N 1 0 289.463 4.731 10 0 CJAERO Cc1cc([C@H](C)[NH2+]C2CCC(C)CC2)c(C)s1 ZINC000020545074 171242795 /nfs/dbraw/zinc/24/27/95/171242795.db2.gz BTKCLRBPTDTFOO-KHJSKFAYSA-N 1 0 251.439 4.594 10 0 CJAERO Cc1cc([C@@H](C)[NH2+]C2CCC(C)CC2)c(C)s1 ZINC000020545075 171242846 /nfs/dbraw/zinc/24/28/46/171242846.db2.gz BTKCLRBPTDTFOO-KSGYAGIASA-N 1 0 251.439 4.594 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000020545116 171243373 /nfs/dbraw/zinc/24/33/73/171243373.db2.gz KLGSDUSQSXGQKK-LLVKDONJSA-N 1 0 287.325 4.569 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000020545117 171243301 /nfs/dbraw/zinc/24/33/01/171243301.db2.gz KLGSDUSQSXGQKK-NSHDSACASA-N 1 0 287.325 4.569 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000020545187 171243298 /nfs/dbraw/zinc/24/32/98/171243298.db2.gz XEJHTSFVVNSIBB-CABCVRRESA-N 1 0 255.405 4.925 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000020545188 171243320 /nfs/dbraw/zinc/24/33/20/171243320.db2.gz XEJHTSFVVNSIBB-GJZGRUSLSA-N 1 0 255.405 4.925 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020545189 171243356 /nfs/dbraw/zinc/24/33/56/171243356.db2.gz XEJHTSFVVNSIBB-HUUCEWRRSA-N 1 0 255.405 4.925 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020545190 171243300 /nfs/dbraw/zinc/24/33/00/171243300.db2.gz XEJHTSFVVNSIBB-LSDHHAIUSA-N 1 0 255.405 4.925 10 0 CJAERO Cc1cc(OC[C@@H]([NH3+])c2ccccc2C)ccc1C(C)C ZINC000020545222 171243404 /nfs/dbraw/zinc/24/34/04/171243404.db2.gz XKFLMTVZTQEHIY-LJQANCHMSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1cc(OC[C@H]([NH3+])c2ccccc2C)ccc1C(C)C ZINC000020545223 171243350 /nfs/dbraw/zinc/24/33/50/171243350.db2.gz XKFLMTVZTQEHIY-IBGZPJMESA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]CCC2=CCCCC2)c(C)c1 ZINC000020545606 171243701 /nfs/dbraw/zinc/24/37/01/171243701.db2.gz GTXKLYCVYGZYQX-MRXNPFEDSA-N 1 0 257.421 4.845 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]CCC2=CCCCC2)c(C)c1 ZINC000020545607 171243764 /nfs/dbraw/zinc/24/37/64/171243764.db2.gz GTXKLYCVYGZYQX-INIZCTEOSA-N 1 0 257.421 4.845 10 0 CJAERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000020545709 171243665 /nfs/dbraw/zinc/24/36/65/171243665.db2.gz TZHHSOCHJUOIIV-CQSZACIVSA-N 1 0 273.807 4.623 10 0 CJAERO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000020545710 171243705 /nfs/dbraw/zinc/24/37/05/171243705.db2.gz TZHHSOCHJUOIIV-AWEZNQCLSA-N 1 0 273.807 4.623 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000020545720 171243601 /nfs/dbraw/zinc/24/36/01/171243601.db2.gz MUMPDDDMLGNXNL-COXVUDFISA-N 1 0 279.855 4.890 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000020545721 171243539 /nfs/dbraw/zinc/24/35/39/171243539.db2.gz MUMPDDDMLGNXNL-JQFCIGGWSA-N 1 0 279.855 4.890 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000020545722 171243627 /nfs/dbraw/zinc/24/36/27/171243627.db2.gz MUMPDDDMLGNXNL-XYPHTWIQSA-N 1 0 279.855 4.890 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000020545723 171243723 /nfs/dbraw/zinc/24/37/23/171243723.db2.gz MUMPDDDMLGNXNL-XKQJLSEDSA-N 1 0 279.855 4.890 10 0 CJAERO CC[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(F)cc1 ZINC000020545806 171243490 /nfs/dbraw/zinc/24/34/90/171243490.db2.gz WATCTJXGKZLOME-QGZVFWFLSA-N 1 0 261.384 4.757 10 0 CJAERO CC[C@H]([NH2+]CCC1=CCCCC1)c1ccc(F)cc1 ZINC000020545807 171243769 /nfs/dbraw/zinc/24/37/69/171243769.db2.gz WATCTJXGKZLOME-KRWDZBQOSA-N 1 0 261.384 4.757 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cl)cc1C ZINC000020545941 262249105 /nfs/dbraw/zinc/24/91/05/262249105.db2.gz QSCAMALGHKFVHZ-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(C)c1 ZINC000020545991 262249170 /nfs/dbraw/zinc/24/91/70/262249170.db2.gz KJVHJGUIOFKLLH-CABCVRRESA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(C)c1 ZINC000020545992 262249302 /nfs/dbraw/zinc/24/93/02/262249302.db2.gz KJVHJGUIOFKLLH-GJZGRUSLSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(C)c1 ZINC000020545993 262249324 /nfs/dbraw/zinc/24/93/24/262249324.db2.gz KJVHJGUIOFKLLH-HUUCEWRRSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(C)c1 ZINC000020545994 262249250 /nfs/dbraw/zinc/24/92/50/262249250.db2.gz KJVHJGUIOFKLLH-LSDHHAIUSA-N 1 0 271.379 4.854 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000020546119 171243933 /nfs/dbraw/zinc/24/39/33/171243933.db2.gz YFEVACGXLGLJTE-NEPJUHHUSA-N 1 0 277.770 4.891 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000020546120 171243972 /nfs/dbraw/zinc/24/39/72/171243972.db2.gz YFEVACGXLGLJTE-RYUDHWBXSA-N 1 0 277.770 4.891 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000020546121 171243857 /nfs/dbraw/zinc/24/38/57/171243857.db2.gz YFEVACGXLGLJTE-VXGBXAGGSA-N 1 0 277.770 4.891 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000020546122 171244161 /nfs/dbraw/zinc/24/41/61/171244161.db2.gz YFEVACGXLGLJTE-NWDGAFQWSA-N 1 0 277.770 4.891 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2)s1 ZINC000020546142 171243986 /nfs/dbraw/zinc/24/39/86/171243986.db2.gz PGNAXGFJWOQWSW-GFCCVEGCSA-N 1 0 279.836 4.603 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2)s1 ZINC000020546143 171243977 /nfs/dbraw/zinc/24/39/77/171243977.db2.gz PGNAXGFJWOQWSW-LBPRGKRZSA-N 1 0 279.836 4.603 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c(C)c1 ZINC000020546210 262249029 /nfs/dbraw/zinc/24/90/29/262249029.db2.gz RJGVKYVQPHUXJW-DNVCBOLYSA-N 1 0 265.400 4.642 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)c(C)c1 ZINC000020546211 262249369 /nfs/dbraw/zinc/24/93/69/262249369.db2.gz RJGVKYVQPHUXJW-HNAYVOBHSA-N 1 0 265.400 4.642 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)c(C)c1 ZINC000020546212 262286754 /nfs/dbraw/zinc/28/67/54/262286754.db2.gz RJGVKYVQPHUXJW-BEFAXECRSA-N 1 0 265.400 4.642 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)c(C)c1 ZINC000020546213 262249194 /nfs/dbraw/zinc/24/91/94/262249194.db2.gz RJGVKYVQPHUXJW-KXBFYZLASA-N 1 0 265.400 4.642 10 0 CJAERO CC1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000020546301 171244081 /nfs/dbraw/zinc/24/40/81/171244081.db2.gz IXCRKECZAMVOBA-UHFFFAOYSA-N 1 0 251.458 4.760 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020546345 171244187 /nfs/dbraw/zinc/24/41/87/171244187.db2.gz NSQYBYDCGUXILS-DYVFJYSZSA-N 1 0 287.378 4.754 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020546346 171244111 /nfs/dbraw/zinc/24/41/11/171244111.db2.gz NSQYBYDCGUXILS-GUYCJALGSA-N 1 0 287.378 4.754 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020546347 171243903 /nfs/dbraw/zinc/24/39/03/171243903.db2.gz NSQYBYDCGUXILS-CXAGYDPISA-N 1 0 287.378 4.754 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020546349 171243931 /nfs/dbraw/zinc/24/39/31/171243931.db2.gz NSQYBYDCGUXILS-SUMWQHHRSA-N 1 0 287.378 4.754 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000020546360 171244044 /nfs/dbraw/zinc/24/40/44/171244044.db2.gz DXKOEXSPSSZKAT-AVERBVTBSA-N 1 0 285.353 4.935 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000020546361 171243915 /nfs/dbraw/zinc/24/39/15/171243915.db2.gz DXKOEXSPSSZKAT-MQYJIDSJSA-N 1 0 285.353 4.935 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000020546535 171243873 /nfs/dbraw/zinc/24/38/73/171243873.db2.gz JMRYTSNMPPBTAP-NEWSRXKRSA-N 1 0 273.464 4.670 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000020546536 171244035 /nfs/dbraw/zinc/24/40/35/171244035.db2.gz JMRYTSNMPPBTAP-WDSOQIARSA-N 1 0 273.464 4.670 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000020546537 171244069 /nfs/dbraw/zinc/24/40/69/171244069.db2.gz JMRYTSNMPPBTAP-QRQLOZEOSA-N 1 0 273.464 4.670 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000020546538 171244080 /nfs/dbraw/zinc/24/40/80/171244080.db2.gz JMRYTSNMPPBTAP-UHOSZYNNSA-N 1 0 273.464 4.670 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2Cl)c1 ZINC000020546658 171244167 /nfs/dbraw/zinc/24/41/67/171244167.db2.gz YEUAENGQLARZDG-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccccc2Cl)c1 ZINC000020546659 171244007 /nfs/dbraw/zinc/24/40/07/171244007.db2.gz YEUAENGQLARZDG-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]CCN(C(C)C)C(C)C)CC1 ZINC000020546756 171244355 /nfs/dbraw/zinc/24/43/55/171244355.db2.gz HKINKFLPXWQAMM-UHFFFAOYSA-N 1 0 296.543 4.690 10 0 CJAERO Cc1ccc(C(C)C)c(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000020546949 171244520 /nfs/dbraw/zinc/24/45/20/171244520.db2.gz RCLSSZKILCZDKX-CQSZACIVSA-N 1 0 269.388 4.930 10 0 CJAERO Cc1ccc(C(C)C)c(Oc2ccccc2[C@H](C)[NH3+])c1 ZINC000020546950 171244372 /nfs/dbraw/zinc/24/43/72/171244372.db2.gz RCLSSZKILCZDKX-AWEZNQCLSA-N 1 0 269.388 4.930 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)cc1 ZINC000020546958 171244649 /nfs/dbraw/zinc/24/46/49/171244649.db2.gz NYDZMQLZLWAZRC-OAHLLOKOSA-N 1 0 280.198 4.604 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)cc(Cl)c2)cc1 ZINC000020546959 171244457 /nfs/dbraw/zinc/24/44/57/171244457.db2.gz NYDZMQLZLWAZRC-HNNXBMFYSA-N 1 0 280.198 4.604 10 0 CJAERO CCC(C)(C)C1CCC(CN)([NH+]2CCCCCCC2)CC1 ZINC000020547026 171244635 /nfs/dbraw/zinc/24/46/35/171244635.db2.gz YMEPTAOLHHVQAT-UHFFFAOYSA-N 1 0 294.527 4.576 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000020547236 171244294 /nfs/dbraw/zinc/24/42/94/171244294.db2.gz DRUPIRZFALINKC-PVAVHDDUSA-N 1 0 251.458 4.760 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000020547237 171244423 /nfs/dbraw/zinc/24/44/23/171244423.db2.gz DRUPIRZFALINKC-XIRDDKMYSA-N 1 0 251.458 4.760 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000020547239 171244628 /nfs/dbraw/zinc/24/46/28/171244628.db2.gz DRUPIRZFALINKC-OIISXLGYSA-N 1 0 251.458 4.760 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000020547241 171244285 /nfs/dbraw/zinc/24/42/85/171244285.db2.gz DRUPIRZFALINKC-UAGQMJEPSA-N 1 0 251.458 4.760 10 0 CJAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)cc1Cl ZINC000020547274 171244695 /nfs/dbraw/zinc/24/46/95/171244695.db2.gz AXGANMOCGRYMPQ-SECBINFHSA-N 1 0 284.230 4.833 10 0 CJAERO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)cc1Cl ZINC000020547275 171244454 /nfs/dbraw/zinc/24/44/54/171244454.db2.gz AXGANMOCGRYMPQ-VIFPVBQESA-N 1 0 284.230 4.833 10 0 CJAERO Cc1ccc([C@H]([NH3+])COc2ccc(C(C)C)cc2)c(C)c1 ZINC000020547592 171245107 /nfs/dbraw/zinc/24/51/07/171245107.db2.gz XXBWRBICHCFNSQ-LJQANCHMSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C(C)C)cc2)c(C)c1 ZINC000020547594 171244958 /nfs/dbraw/zinc/24/49/58/171244958.db2.gz XXBWRBICHCFNSQ-IBGZPJMESA-N 1 0 283.415 4.506 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccccc2)c(C)c1 ZINC000020547619 171244986 /nfs/dbraw/zinc/24/49/86/171244986.db2.gz HHCSBVRZCIKCEC-QGZVFWFLSA-N 1 0 267.416 4.505 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccccc2)c(C)c1 ZINC000020547621 171245074 /nfs/dbraw/zinc/24/50/74/171245074.db2.gz HHCSBVRZCIKCEC-KRWDZBQOSA-N 1 0 267.416 4.505 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000020547716 171244855 /nfs/dbraw/zinc/24/48/55/171244855.db2.gz JNJDGAJIASIXSB-FHERZECASA-N 1 0 274.452 4.727 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000020547718 171244936 /nfs/dbraw/zinc/24/49/36/171244936.db2.gz JNJDGAJIASIXSB-QQFBHYJXSA-N 1 0 274.452 4.727 10 0 CJAERO c1ccc(C([NH2+]C(C2CC2)C2CC2)c2ccccc2)cc1 ZINC000020547781 171244899 /nfs/dbraw/zinc/24/48/99/171244899.db2.gz UOUVWIAOVQKUBU-UHFFFAOYSA-N 1 0 277.411 4.554 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000020547823 171244852 /nfs/dbraw/zinc/24/48/52/171244852.db2.gz LKFNAEGYGRXJSD-CQSZACIVSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000020547825 171245026 /nfs/dbraw/zinc/24/50/26/171245026.db2.gz LKFNAEGYGRXJSD-AWEZNQCLSA-N 1 0 285.406 4.974 10 0 CJAERO CCC[C@@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020548290 171245584 /nfs/dbraw/zinc/24/55/84/171245584.db2.gz AFJVQPFOXCDRDE-SNVBAGLBSA-N 1 0 277.355 4.577 10 0 CJAERO CCC[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020548292 171245292 /nfs/dbraw/zinc/24/52/92/171245292.db2.gz AFJVQPFOXCDRDE-JTQLQIEISA-N 1 0 277.355 4.577 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000020548299 171245502 /nfs/dbraw/zinc/24/55/02/171245502.db2.gz PIUTWWYQNNEDOO-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000020548300 171245395 /nfs/dbraw/zinc/24/53/95/171245395.db2.gz PIUTWWYQNNEDOO-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO C[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000020548467 171245278 /nfs/dbraw/zinc/24/52/78/171245278.db2.gz NDOHXBBREIPLJQ-ZLPCBKJTSA-N 1 0 273.464 4.985 10 0 CJAERO C[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000020548469 171245297 /nfs/dbraw/zinc/24/52/97/171245297.db2.gz NDOHXBBREIPLJQ-FAEJEUNOSA-N 1 0 273.464 4.985 10 0 CJAERO CCCCC[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000020548504 171245649 /nfs/dbraw/zinc/24/56/49/171245649.db2.gz CNTRYOSMEFHBDS-ZDUSSCGKSA-N 1 0 259.393 4.836 10 0 CJAERO CCCCC[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000020548505 171245923 /nfs/dbraw/zinc/24/59/23/171245923.db2.gz CNTRYOSMEFHBDS-CYBMUJFWSA-N 1 0 259.393 4.836 10 0 CJAERO CC(C)c1ccccc1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000020548527 171245829 /nfs/dbraw/zinc/24/58/29/171245829.db2.gz OSMSPNAEIQHMIW-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1ccccc1Oc1cccc(F)c1[C@H](C)[NH3+] ZINC000020548528 171245850 /nfs/dbraw/zinc/24/58/50/171245850.db2.gz OSMSPNAEIQHMIW-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc(Cl)c1 ZINC000020548624 171245992 /nfs/dbraw/zinc/24/59/92/171245992.db2.gz BCMFHELUHMSOAF-AVERBVTBSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(Cl)c1 ZINC000020548625 171245889 /nfs/dbraw/zinc/24/58/89/171245889.db2.gz BCMFHELUHMSOAF-MQYJIDSJSA-N 1 0 251.801 4.569 10 0 CJAERO CCCCCC[NH2+]Cc1ccc(OCCCCC)cc1 ZINC000020548674 171245943 /nfs/dbraw/zinc/24/59/43/171245943.db2.gz LGIOPHXKNBEDKA-UHFFFAOYSA-N 1 0 277.452 4.926 10 0 CJAERO Fc1ccccc1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020548706 171245967 /nfs/dbraw/zinc/24/59/67/171245967.db2.gz QGCIHXQCGISYCM-UHFFFAOYSA-N 1 0 283.390 4.642 10 0 CJAERO CCCC1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000020548808 171245941 /nfs/dbraw/zinc/24/59/41/171245941.db2.gz YLNVHNMOQCQKRL-UHFFFAOYSA-N 1 0 297.389 4.737 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccc(F)cc1 ZINC000020549225 171246357 /nfs/dbraw/zinc/24/63/57/171246357.db2.gz DQBWBYLCODACCS-AUUYWEPGSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccc(F)cc1 ZINC000020549226 171246239 /nfs/dbraw/zinc/24/62/39/171246239.db2.gz DQBWBYLCODACCS-IFXJQAMLSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccc(F)cc1 ZINC000020549227 171246339 /nfs/dbraw/zinc/24/63/39/171246339.db2.gz DQBWBYLCODACCS-KUHUBIRLSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccc(F)cc1 ZINC000020549228 171246129 /nfs/dbraw/zinc/24/61/29/171246129.db2.gz DQBWBYLCODACCS-LIRRHRJNSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000020549471 171246078 /nfs/dbraw/zinc/24/60/78/171246078.db2.gz NRHVAKHTMFHFKV-NWDGAFQWSA-N 1 0 277.770 4.891 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000020549472 171246104 /nfs/dbraw/zinc/24/61/04/171246104.db2.gz NRHVAKHTMFHFKV-RYUDHWBXSA-N 1 0 277.770 4.891 10 0 CJAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000020549825 171246742 /nfs/dbraw/zinc/24/67/42/171246742.db2.gz HZAJFHHPOFDFMT-JKSUJKDBSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000020549826 171246804 /nfs/dbraw/zinc/24/68/04/171246804.db2.gz HZAJFHHPOFDFMT-HOTGVXAUSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000020549827 171246603 /nfs/dbraw/zinc/24/66/03/171246603.db2.gz HZAJFHHPOFDFMT-HZPDHXFCSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000020549828 171246553 /nfs/dbraw/zinc/24/65/53/171246553.db2.gz HZAJFHHPOFDFMT-CVEARBPZSA-N 1 0 283.415 4.724 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000020549872 171246832 /nfs/dbraw/zinc/24/68/32/171246832.db2.gz TUEQNGZRHXLYDE-SECBINFHSA-N 1 0 282.170 4.805 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000020549874 171246818 /nfs/dbraw/zinc/24/68/18/171246818.db2.gz TUEQNGZRHXLYDE-VIFPVBQESA-N 1 0 282.170 4.805 10 0 CJAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1F ZINC000020549943 171246517 /nfs/dbraw/zinc/24/65/17/171246517.db2.gz FRMYNWFOBYHENS-CYBMUJFWSA-N 1 0 279.399 4.596 10 0 CJAERO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1F ZINC000020549945 171246623 /nfs/dbraw/zinc/24/66/23/171246623.db2.gz FRMYNWFOBYHENS-ZDUSSCGKSA-N 1 0 279.399 4.596 10 0 CJAERO Cc1cc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)ccc1C(C)C ZINC000020550270 171246577 /nfs/dbraw/zinc/24/65/77/171246577.db2.gz NXSVXLYCHOBVKD-HNAYVOBHSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1cc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)ccc1C(C)C ZINC000020550272 171246670 /nfs/dbraw/zinc/24/66/70/171246670.db2.gz NXSVXLYCHOBVKD-DNVCBOLYSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1cc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)ccc1C(C)C ZINC000020550273 171246655 /nfs/dbraw/zinc/24/66/55/171246655.db2.gz NXSVXLYCHOBVKD-KXBFYZLASA-N 1 0 283.415 4.586 10 0 CJAERO Cc1cc(O[C@H](C)[C@H]([NH3+])c2ccccc2)ccc1C(C)C ZINC000020550274 171246839 /nfs/dbraw/zinc/24/68/39/171246839.db2.gz NXSVXLYCHOBVKD-BEFAXECRSA-N 1 0 283.415 4.586 10 0 CJAERO [NH3+][C@H](c1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000020550369 171246909 /nfs/dbraw/zinc/24/69/09/171246909.db2.gz HPSPHAVKYKSCRU-SFHVURJKSA-N 1 0 251.373 4.544 10 0 CJAERO [NH3+][C@@H](c1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000020550371 171246949 /nfs/dbraw/zinc/24/69/49/171246949.db2.gz HPSPHAVKYKSCRU-GOSISDBHSA-N 1 0 251.373 4.544 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000020551259 171247147 /nfs/dbraw/zinc/24/71/47/171247147.db2.gz PDECLRCFADBZJL-ISXOHVOVSA-N 1 0 275.436 4.705 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000020551260 171247002 /nfs/dbraw/zinc/24/70/02/171247002.db2.gz PDECLRCFADBZJL-CKDBGZEDSA-N 1 0 275.436 4.705 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc2c(c1)CCCC2 ZINC000020551282 171247013 /nfs/dbraw/zinc/24/70/13/171247013.db2.gz IBJAEODKWXYNKA-HVEKOLDVSA-N 1 0 271.448 4.795 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc2c(c1)CCCC2 ZINC000020551284 171247127 /nfs/dbraw/zinc/24/71/27/171247127.db2.gz IBJAEODKWXYNKA-XAUUPUKJSA-N 1 0 271.448 4.795 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]CCC2=CCCCC2)c1 ZINC000020551334 171247026 /nfs/dbraw/zinc/24/70/26/171247026.db2.gz JNIMXRXFURCQSC-MRXNPFEDSA-N 1 0 257.421 4.845 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]CCC2=CCCCC2)c1 ZINC000020551336 171247014 /nfs/dbraw/zinc/24/70/14/171247014.db2.gz JNIMXRXFURCQSC-INIZCTEOSA-N 1 0 257.421 4.845 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000020551768 171247500 /nfs/dbraw/zinc/24/75/00/171247500.db2.gz OYKWPGISRDKHEU-KGLIPLIRSA-N 1 0 271.379 4.800 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000020551769 171247481 /nfs/dbraw/zinc/24/74/81/171247481.db2.gz OYKWPGISRDKHEU-KBPBESRZSA-N 1 0 271.379 4.800 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000020551770 171247574 /nfs/dbraw/zinc/24/75/74/171247574.db2.gz OYKWPGISRDKHEU-ZIAGYGMSSA-N 1 0 271.379 4.800 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000020551771 262293442 /nfs/dbraw/zinc/29/34/42/262293442.db2.gz OYKWPGISRDKHEU-UONOGXRCSA-N 1 0 271.379 4.800 10 0 CJAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(Cl)cc2Cl)c1 ZINC000020551908 171247521 /nfs/dbraw/zinc/24/75/21/171247521.db2.gz DJLRIAWMZOIIDH-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc(C)c([C@H]([NH3+])c2ccc(Cl)cc2Cl)c1 ZINC000020551909 171247560 /nfs/dbraw/zinc/24/75/60/171247560.db2.gz DJLRIAWMZOIIDH-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000020552096 171247590 /nfs/dbraw/zinc/24/75/90/171247590.db2.gz IJGYPYPPEZZOKV-LLVKDONJSA-N 1 0 274.235 4.908 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000020552097 171247364 /nfs/dbraw/zinc/24/73/64/171247364.db2.gz IJGYPYPPEZZOKV-NSHDSACASA-N 1 0 274.235 4.908 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000020552098 171247569 /nfs/dbraw/zinc/24/75/69/171247569.db2.gz FUMUDSWULXIUDU-BXUZGUMPSA-N 1 0 286.246 4.704 10 0 CJAERO C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000020552099 171247293 /nfs/dbraw/zinc/24/72/93/171247293.db2.gz FUMUDSWULXIUDU-SMDDNHRTSA-N 1 0 286.246 4.704 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000020552100 171247391 /nfs/dbraw/zinc/24/73/91/171247391.db2.gz FUMUDSWULXIUDU-RISCZKNCSA-N 1 0 286.246 4.704 10 0 CJAERO C[C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000020552101 171247298 /nfs/dbraw/zinc/24/72/98/171247298.db2.gz FUMUDSWULXIUDU-FZMZJTMJSA-N 1 0 286.246 4.704 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000020552214 171247348 /nfs/dbraw/zinc/24/73/48/171247348.db2.gz MMDALPXDKWROHF-AWEZNQCLSA-N 1 0 265.416 4.937 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000020552215 171247813 /nfs/dbraw/zinc/24/78/13/171247813.db2.gz MMDALPXDKWROHF-CQSZACIVSA-N 1 0 265.416 4.937 10 0 CJAERO CC(C)c1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000020552397 171247769 /nfs/dbraw/zinc/24/77/69/171247769.db2.gz ZUNPWVDFLNJDRY-MRXNPFEDSA-N 1 0 267.416 4.703 10 0 CJAERO CC(C)c1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000020552398 171247871 /nfs/dbraw/zinc/24/78/71/171247871.db2.gz ZUNPWVDFLNJDRY-INIZCTEOSA-N 1 0 267.416 4.703 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000020552426 171247771 /nfs/dbraw/zinc/24/77/71/171247771.db2.gz UJEMOYJKJFFWJF-QPSCCSFWSA-N 1 0 265.466 4.860 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000020552427 171247852 /nfs/dbraw/zinc/24/78/52/171247852.db2.gz UJEMOYJKJFFWJF-AJNGGQMLSA-N 1 0 265.466 4.860 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000020552428 171247875 /nfs/dbraw/zinc/24/78/75/171247875.db2.gz UJEMOYJKJFFWJF-BARDWOONSA-N 1 0 265.466 4.860 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000020552429 171247924 /nfs/dbraw/zinc/24/79/24/171247924.db2.gz UJEMOYJKJFFWJF-XQLPTFJDSA-N 1 0 265.466 4.860 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000020552435 171247897 /nfs/dbraw/zinc/24/78/97/171247897.db2.gz YASBAPTXWUPFJI-CVEARBPZSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000020552436 171247939 /nfs/dbraw/zinc/24/79/39/171247939.db2.gz YASBAPTXWUPFJI-HOTGVXAUSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000020552437 171247745 /nfs/dbraw/zinc/24/77/45/171247745.db2.gz YASBAPTXWUPFJI-HZPDHXFCSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000020552438 171247690 /nfs/dbraw/zinc/24/76/90/171247690.db2.gz YASBAPTXWUPFJI-JKSUJKDBSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000020552542 262250273 /nfs/dbraw/zinc/25/02/73/262250273.db2.gz WIPHRTVDACLDRP-ZDUSSCGKSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc1 ZINC000020552543 262250315 /nfs/dbraw/zinc/25/03/15/262250315.db2.gz WIPHRTVDACLDRP-CYBMUJFWSA-N 1 0 273.807 4.753 10 0 CJAERO C[C@@H](CCc1ccco1)[NH2+]Cc1cccc2ccccc21 ZINC000020552580 171247844 /nfs/dbraw/zinc/24/78/44/171247844.db2.gz UTTNCUVBCCJBIG-HNNXBMFYSA-N 1 0 279.383 4.544 10 0 CJAERO C[C@H](CCc1ccco1)[NH2+]Cc1cccc2ccccc21 ZINC000020552581 171247804 /nfs/dbraw/zinc/24/78/04/171247804.db2.gz UTTNCUVBCCJBIG-OAHLLOKOSA-N 1 0 279.383 4.544 10 0 CJAERO CCCC1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000020552689 171248130 /nfs/dbraw/zinc/24/81/30/171248130.db2.gz MGXQPNCTEQAXDC-UHFFFAOYSA-N 1 0 259.437 4.568 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC)cc1 ZINC000020552709 262250320 /nfs/dbraw/zinc/25/03/20/262250320.db2.gz NJZWQFXKUGPENM-CABCVRRESA-N 1 0 283.415 4.669 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2OC)cc1 ZINC000020552710 171248093 /nfs/dbraw/zinc/24/80/93/171248093.db2.gz NJZWQFXKUGPENM-GJZGRUSLSA-N 1 0 283.415 4.669 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC)cc1 ZINC000020552711 171248104 /nfs/dbraw/zinc/24/81/04/171248104.db2.gz NJZWQFXKUGPENM-HUUCEWRRSA-N 1 0 283.415 4.669 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2OC)cc1 ZINC000020552712 171248340 /nfs/dbraw/zinc/24/83/40/171248340.db2.gz NJZWQFXKUGPENM-LSDHHAIUSA-N 1 0 283.415 4.669 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+]CCC1=CCCCC1 ZINC000020552723 171248010 /nfs/dbraw/zinc/24/80/10/171248010.db2.gz DZXHAQXJBFVTAW-UHFFFAOYSA-N 1 0 251.458 4.927 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000020553045 171248091 /nfs/dbraw/zinc/24/80/91/171248091.db2.gz JNWRAMUYPMBAME-OAHLLOKOSA-N 1 0 277.452 4.807 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+]C(CC(C)C)CC(C)C ZINC000020553046 171248357 /nfs/dbraw/zinc/24/83/57/171248357.db2.gz JNWRAMUYPMBAME-HNNXBMFYSA-N 1 0 277.452 4.807 10 0 CJAERO CC(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000020553257 171248971 /nfs/dbraw/zinc/24/89/71/171248971.db2.gz ORNZOOFHDQPNDX-JTQLQIEISA-N 1 0 260.208 4.690 10 0 CJAERO CC(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000020553258 171248942 /nfs/dbraw/zinc/24/89/42/171248942.db2.gz ORNZOOFHDQPNDX-SNVBAGLBSA-N 1 0 260.208 4.690 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCCC1)c1ccc(F)c(F)c1 ZINC000020553296 171248790 /nfs/dbraw/zinc/24/87/90/171248790.db2.gz VPDWOAUWROOUHO-GFCCVEGCSA-N 1 0 267.363 4.728 10 0 CJAERO C[C@H]([NH2+]C1CCCCCCC1)c1ccc(F)c(F)c1 ZINC000020553297 171248738 /nfs/dbraw/zinc/24/87/38/171248738.db2.gz VPDWOAUWROOUHO-LBPRGKRZSA-N 1 0 267.363 4.728 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020553334 171248883 /nfs/dbraw/zinc/24/88/83/171248883.db2.gz LGYUUAIIDGHYDR-GFCCVEGCSA-N 1 0 275.779 4.769 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020553335 171248876 /nfs/dbraw/zinc/24/88/76/171248876.db2.gz LGYUUAIIDGHYDR-LBPRGKRZSA-N 1 0 275.779 4.769 10 0 CJAERO C[C@@H]([NH2+]CC1CCCCC1)c1cccc(Cl)c1 ZINC000020553364 171248955 /nfs/dbraw/zinc/24/89/55/171248955.db2.gz WGIQKYOSMYORDX-GFCCVEGCSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)c1cccc(Cl)c1 ZINC000020553365 171248958 /nfs/dbraw/zinc/24/89/58/171248958.db2.gz WGIQKYOSMYORDX-LBPRGKRZSA-N 1 0 251.801 4.571 10 0 CJAERO CC(C)CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000020553395 171248784 /nfs/dbraw/zinc/24/87/84/171248784.db2.gz KXWXSYIDTSYLNC-KRWDZBQOSA-N 1 0 281.443 4.843 10 0 CJAERO CC(C)CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000020553396 171248603 /nfs/dbraw/zinc/24/86/03/171248603.db2.gz KXWXSYIDTSYLNC-QGZVFWFLSA-N 1 0 281.443 4.843 10 0 CJAERO CCC[C@@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020553452 171248563 /nfs/dbraw/zinc/24/85/63/171248563.db2.gz YJYFAJWFRHFQNI-MRXNPFEDSA-N 1 0 267.416 4.802 10 0 CJAERO CCC[C@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020553453 171248731 /nfs/dbraw/zinc/24/87/31/171248731.db2.gz YJYFAJWFRHFQNI-INIZCTEOSA-N 1 0 267.416 4.802 10 0 CJAERO CCc1ccc([C@@H]([NH2+]CCc2ccccc2)C(C)C)cc1 ZINC000020553499 171248889 /nfs/dbraw/zinc/24/88/89/171248889.db2.gz MWKOPGDASCBSSG-FQEVSTJZSA-N 1 0 281.443 4.778 10 0 CJAERO CCc1ccc([C@H]([NH2+]CCc2ccccc2)C(C)C)cc1 ZINC000020553500 171248836 /nfs/dbraw/zinc/24/88/36/171248836.db2.gz MWKOPGDASCBSSG-HXUWFJFHSA-N 1 0 281.443 4.778 10 0 CJAERO Cc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000020553518 171248921 /nfs/dbraw/zinc/24/89/21/171248921.db2.gz KHHKWRRSLUSNPN-MRXNPFEDSA-N 1 0 279.427 4.725 10 0 CJAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000020553519 171248899 /nfs/dbraw/zinc/24/88/99/171248899.db2.gz KHHKWRRSLUSNPN-INIZCTEOSA-N 1 0 279.427 4.725 10 0 CJAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020553565 171249162 /nfs/dbraw/zinc/24/91/62/171249162.db2.gz XYIPYPMISGMBMZ-CVEARBPZSA-N 1 0 259.780 4.534 10 0 CJAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000020553566 171249263 /nfs/dbraw/zinc/24/92/63/171249263.db2.gz XYIPYPMISGMBMZ-HOTGVXAUSA-N 1 0 259.780 4.534 10 0 CJAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020553567 171249119 /nfs/dbraw/zinc/24/91/19/171249119.db2.gz XYIPYPMISGMBMZ-HZPDHXFCSA-N 1 0 259.780 4.534 10 0 CJAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000020553568 171249115 /nfs/dbraw/zinc/24/91/15/171249115.db2.gz XYIPYPMISGMBMZ-JKSUJKDBSA-N 1 0 259.780 4.534 10 0 CJAERO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000020553614 171249147 /nfs/dbraw/zinc/24/91/47/171249147.db2.gz OUXDHTVIGYMHAC-APWZRJJASA-N 1 0 267.416 4.781 10 0 CJAERO CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000020553615 171249173 /nfs/dbraw/zinc/24/91/73/171249173.db2.gz OUXDHTVIGYMHAC-LPHOPBHVSA-N 1 0 267.416 4.781 10 0 CJAERO CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000020553616 171249342 /nfs/dbraw/zinc/24/93/42/171249342.db2.gz OUXDHTVIGYMHAC-VQIMIIECSA-N 1 0 267.416 4.781 10 0 CJAERO CC[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000020553617 171249398 /nfs/dbraw/zinc/24/93/98/171249398.db2.gz OUXDHTVIGYMHAC-QFBILLFUSA-N 1 0 267.416 4.781 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@H](C)c2cccc(F)c2)c(C)c1 ZINC000020553624 171249205 /nfs/dbraw/zinc/24/92/05/171249205.db2.gz WAJNSNLABBCODU-OAHLLOKOSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc(F)c2)c(C)c1 ZINC000020553625 171249284 /nfs/dbraw/zinc/24/92/84/171249284.db2.gz WAJNSNLABBCODU-HNNXBMFYSA-N 1 0 271.379 4.602 10 0 CJAERO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1ccc(Cl)cc1 ZINC000020553652 171249053 /nfs/dbraw/zinc/24/90/53/171249053.db2.gz DPHIQNCIRNOUNI-UPJWGTAASA-N 1 0 265.828 4.815 10 0 CJAERO C[C@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000020553654 171249351 /nfs/dbraw/zinc/24/93/51/171249351.db2.gz DPHIQNCIRNOUNI-IVMGVGPUSA-N 1 0 265.828 4.815 10 0 CJAERO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000020553657 171249473 /nfs/dbraw/zinc/24/94/73/171249473.db2.gz DPHIQNCIRNOUNI-AVGNSLFASA-N 1 0 265.828 4.815 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000020553788 171249306 /nfs/dbraw/zinc/24/93/06/171249306.db2.gz GSLRFFCOKSWJJS-JKSUJKDBSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000020553790 171249470 /nfs/dbraw/zinc/24/94/70/171249470.db2.gz GSLRFFCOKSWJJS-HOTGVXAUSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000020553792 171249315 /nfs/dbraw/zinc/24/93/15/171249315.db2.gz GSLRFFCOKSWJJS-HZPDHXFCSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000020553794 171249258 /nfs/dbraw/zinc/24/92/58/171249258.db2.gz GSLRFFCOKSWJJS-CVEARBPZSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc([C@@H](C)[NH2+]C2CCCCCCC2)cc1F ZINC000020553984 171249129 /nfs/dbraw/zinc/24/91/29/171249129.db2.gz ZOJOHXDOOPAXQH-CYBMUJFWSA-N 1 0 279.399 4.598 10 0 CJAERO COc1ccc([C@H](C)[NH2+]C2CCCCCCC2)cc1F ZINC000020553986 171249102 /nfs/dbraw/zinc/24/91/02/171249102.db2.gz ZOJOHXDOOPAXQH-ZDUSSCGKSA-N 1 0 279.399 4.598 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000020554149 171249340 /nfs/dbraw/zinc/24/93/40/171249340.db2.gz ZFQNEZCGGWZSMZ-CYBMUJFWSA-N 1 0 253.817 4.644 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000020554151 171249154 /nfs/dbraw/zinc/24/91/54/171249154.db2.gz ZFQNEZCGGWZSMZ-ZDUSSCGKSA-N 1 0 253.817 4.644 10 0 CJAERO Cc1ccc([C@H]([NH3+])COc2ccc(C(C)C)c(C)c2)cc1 ZINC000020554207 171249433 /nfs/dbraw/zinc/24/94/33/171249433.db2.gz VUAQOULXCQQYLH-LJQANCHMSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C(C)C)c(C)c2)cc1 ZINC000020554209 171249243 /nfs/dbraw/zinc/24/92/43/171249243.db2.gz VUAQOULXCQQYLH-IBGZPJMESA-N 1 0 283.415 4.506 10 0 CJAERO CCCC[N@H+](CC)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000020554240 171249465 /nfs/dbraw/zinc/24/94/65/171249465.db2.gz HIWBKLDBHSUEPS-ZWKOTPCHSA-N 1 0 282.516 4.719 10 0 CJAERO CCCC[N@H+](CC)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000020554242 171249180 /nfs/dbraw/zinc/24/91/80/171249180.db2.gz HIWBKLDBHSUEPS-ROUUACIJSA-N 1 0 282.516 4.719 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C)cc1 ZINC000020554739 171249656 /nfs/dbraw/zinc/24/96/56/171249656.db2.gz DCQUAIMPUKOJLD-CYGHRXIMSA-N 1 0 259.437 4.860 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C)cc1 ZINC000020554741 171249684 /nfs/dbraw/zinc/24/96/84/171249684.db2.gz DCQUAIMPUKOJLD-MXSMSXNCSA-N 1 0 259.437 4.860 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C)cc1 ZINC000020554743 171249688 /nfs/dbraw/zinc/24/96/88/171249688.db2.gz DCQUAIMPUKOJLD-ATLSCFEFSA-N 1 0 259.437 4.860 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(C)cc1 ZINC000020554745 171249673 /nfs/dbraw/zinc/24/96/73/171249673.db2.gz DCQUAIMPUKOJLD-FZCLSBEQSA-N 1 0 259.437 4.860 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000020554850 171249566 /nfs/dbraw/zinc/24/95/66/171249566.db2.gz ICGKIBMPHPGWQD-OLZOCXBDSA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000020554852 171249651 /nfs/dbraw/zinc/24/96/51/171249651.db2.gz ICGKIBMPHPGWQD-STQMWFEESA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000020554854 171249595 /nfs/dbraw/zinc/24/95/95/171249595.db2.gz ICGKIBMPHPGWQD-CHWSQXEVSA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000020554856 171249685 /nfs/dbraw/zinc/24/96/85/171249685.db2.gz ICGKIBMPHPGWQD-QWHCGFSZSA-N 1 0 253.817 4.815 10 0 CJAERO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000020555740 171249828 /nfs/dbraw/zinc/24/98/28/171249828.db2.gz DCIWHFQRRVNXQR-MNOVXSKESA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000020555743 171249964 /nfs/dbraw/zinc/24/99/64/171249964.db2.gz DCIWHFQRRVNXQR-QWRGUYRKSA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000020555746 171250048 /nfs/dbraw/zinc/25/00/48/171250048.db2.gz DCIWHFQRRVNXQR-GHMZBOCLSA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000020555749 171249837 /nfs/dbraw/zinc/24/98/37/171249837.db2.gz DCIWHFQRRVNXQR-WDEREUQCSA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000020555758 171249945 /nfs/dbraw/zinc/24/99/45/171249945.db2.gz JVCHJUBFPXKVFH-RISCZKNCSA-N 1 0 284.241 4.678 10 0 CJAERO CCC[C@H](C)[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000020555761 171249976 /nfs/dbraw/zinc/24/99/76/171249976.db2.gz JVCHJUBFPXKVFH-FZMZJTMJSA-N 1 0 284.241 4.678 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000020556048 171250009 /nfs/dbraw/zinc/25/00/09/171250009.db2.gz UMWOORMBQNVXMZ-CQSZACIVSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000020556050 171249970 /nfs/dbraw/zinc/24/99/70/171249970.db2.gz UMWOORMBQNVXMZ-AWEZNQCLSA-N 1 0 285.406 4.974 10 0 CJAERO CCCCC1CCC([C@@H]([NH3+])c2cccs2)CC1 ZINC000020556111 171249830 /nfs/dbraw/zinc/24/98/30/171249830.db2.gz TUGRKQWPLJPJHJ-SSDMNJCBSA-N 1 0 251.439 4.745 10 0 CJAERO CCCCC1CCC([C@H]([NH3+])c2cccs2)CC1 ZINC000020556113 171250049 /nfs/dbraw/zinc/25/00/49/171250049.db2.gz TUGRKQWPLJPJHJ-PIMMBPRGSA-N 1 0 251.439 4.745 10 0 CJAERO CCc1ccc([C@@H]([NH2+]Cc2ccccc2F)C(C)C)cc1 ZINC000020556155 171249959 /nfs/dbraw/zinc/24/99/59/171249959.db2.gz OTOWAGKDNXBYEX-IBGZPJMESA-N 1 0 285.406 4.875 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000020556213 171250046 /nfs/dbraw/zinc/25/00/46/171250046.db2.gz IDCQHTCRRNXZIC-CYBMUJFWSA-N 1 0 298.268 4.754 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000020556215 171249944 /nfs/dbraw/zinc/24/99/44/171249944.db2.gz IDCQHTCRRNXZIC-ZDUSSCGKSA-N 1 0 298.268 4.754 10 0 CJAERO CCC(C)(C)c1ccc(O[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000020556544 171250073 /nfs/dbraw/zinc/25/00/73/171250073.db2.gz QYRZVCDERNYDDM-ZWKOTPCHSA-N 1 0 289.463 4.803 10 0 CJAERO CCC(C)(C)c1ccc(O[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000020556546 171249839 /nfs/dbraw/zinc/24/98/39/171249839.db2.gz QYRZVCDERNYDDM-ROUUACIJSA-N 1 0 289.463 4.803 10 0 CJAERO CCC(C)(C)c1ccc(O[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000020556548 171249936 /nfs/dbraw/zinc/24/99/36/171249936.db2.gz QYRZVCDERNYDDM-QZTJIDSGSA-N 1 0 289.463 4.803 10 0 CJAERO CCC(C)(C)c1ccc(O[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000020556550 171249990 /nfs/dbraw/zinc/24/99/90/171249990.db2.gz QYRZVCDERNYDDM-MSOLQXFVSA-N 1 0 289.463 4.803 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020556862 171250374 /nfs/dbraw/zinc/25/03/74/171250374.db2.gz WRMQYHKUNNZRJH-OLZOCXBDSA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000020556864 171250453 /nfs/dbraw/zinc/25/04/53/171250453.db2.gz WRMQYHKUNNZRJH-STQMWFEESA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000020556866 171250170 /nfs/dbraw/zinc/25/01/70/171250170.db2.gz WRMQYHKUNNZRJH-CHWSQXEVSA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000020556868 171250209 /nfs/dbraw/zinc/25/02/09/171250209.db2.gz WRMQYHKUNNZRJH-QWHCGFSZSA-N 1 0 253.817 4.815 10 0 CJAERO Cc1ccc([C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000020556954 171250488 /nfs/dbraw/zinc/25/04/88/171250488.db2.gz RSOJBXOZMFJQMG-CHNSHAQVSA-N 1 0 269.432 4.520 10 0 CJAERO Cc1ccc([C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000020556956 171250353 /nfs/dbraw/zinc/25/03/53/171250353.db2.gz RSOJBXOZMFJQMG-ZJIILYSQSA-N 1 0 269.432 4.520 10 0 CJAERO CCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000020557179 171250331 /nfs/dbraw/zinc/25/03/31/171250331.db2.gz AOPBYYOQFDOFNZ-JTQLQIEISA-N 1 0 260.208 4.834 10 0 CJAERO CCCCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000020557181 171250255 /nfs/dbraw/zinc/25/02/55/171250255.db2.gz AOPBYYOQFDOFNZ-SNVBAGLBSA-N 1 0 260.208 4.834 10 0 CJAERO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000020557403 171250337 /nfs/dbraw/zinc/25/03/37/171250337.db2.gz NKEAKTLFQKLEDR-CRAIPNDOSA-N 1 0 253.389 4.531 10 0 CJAERO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000020557405 171250157 /nfs/dbraw/zinc/25/01/57/171250157.db2.gz NKEAKTLFQKLEDR-QAPCUYQASA-N 1 0 253.389 4.531 10 0 CJAERO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1)c1ccccc1 ZINC000020557407 171250270 /nfs/dbraw/zinc/25/02/70/171250270.db2.gz NKEAKTLFQKLEDR-MAUKXSAKSA-N 1 0 253.389 4.531 10 0 CJAERO CC[C@H]([NH2+]C[C@H](C)c1ccccc1)c1ccccc1 ZINC000020557409 171250421 /nfs/dbraw/zinc/25/04/21/171250421.db2.gz NKEAKTLFQKLEDR-YJBOKZPZSA-N 1 0 253.389 4.531 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000020557441 171250426 /nfs/dbraw/zinc/25/04/26/171250426.db2.gz UXFWZVGXRMYQAL-HJOIGYKYSA-N 1 0 259.437 4.566 10 0 CJAERO CCC1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000020557443 171250310 /nfs/dbraw/zinc/25/03/10/171250310.db2.gz UXFWZVGXRMYQAL-KLHKWILBSA-N 1 0 259.437 4.566 10 0 CJAERO CC(C)c1ccc(Sc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000020557512 171250462 /nfs/dbraw/zinc/25/04/62/171250462.db2.gz XJVXJTAJQYAXPD-CYBMUJFWSA-N 1 0 271.429 4.981 10 0 CJAERO CC(C)c1ccc(Sc2ccccc2[C@H](C)[NH3+])cc1 ZINC000020557514 171250343 /nfs/dbraw/zinc/25/03/43/171250343.db2.gz XJVXJTAJQYAXPD-ZDUSSCGKSA-N 1 0 271.429 4.981 10 0 CJAERO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000020557659 171250695 /nfs/dbraw/zinc/25/06/95/171250695.db2.gz QNGBXSKJKGNDJI-IUODEOHRSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000020557661 171250810 /nfs/dbraw/zinc/25/08/10/171250810.db2.gz QNGBXSKJKGNDJI-SWLSCSKDSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000020557663 171250759 /nfs/dbraw/zinc/25/07/59/171250759.db2.gz QNGBXSKJKGNDJI-DOMZBBRYSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000020557665 171250870 /nfs/dbraw/zinc/25/08/70/171250870.db2.gz QNGBXSKJKGNDJI-WFASDCNBSA-N 1 0 253.817 4.644 10 0 CJAERO C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000020558070 171250655 /nfs/dbraw/zinc/25/06/55/171250655.db2.gz IEGSXGHCAJXZBM-ZDUSSCGKSA-N 1 0 293.332 4.599 10 0 CJAERO C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000020558072 171250565 /nfs/dbraw/zinc/25/05/65/171250565.db2.gz IEGSXGHCAJXZBM-CYBMUJFWSA-N 1 0 293.332 4.599 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2F)c(C)c1 ZINC000020558254 171250873 /nfs/dbraw/zinc/25/08/73/171250873.db2.gz OEIIHTADQHMWBL-OAHLLOKOSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2F)c(C)c1 ZINC000020558256 171250788 /nfs/dbraw/zinc/25/07/88/171250788.db2.gz OEIIHTADQHMWBL-HNNXBMFYSA-N 1 0 271.379 4.602 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H]1C ZINC000020558425 171250764 /nfs/dbraw/zinc/25/07/64/171250764.db2.gz SXGAZDPTUGZRNP-RRCSTGOVSA-N 1 0 275.461 4.638 10 0 CJAERO C[C@H]1[C@H]([NH2+][C@@H]2CCSc3ccccc32)CCC[C@@H]1C ZINC000020558427 171250713 /nfs/dbraw/zinc/25/07/13/171250713.db2.gz SXGAZDPTUGZRNP-SJXGUFTOSA-N 1 0 275.461 4.638 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)[C@@H]1C ZINC000020558429 171250570 /nfs/dbraw/zinc/25/05/70/171250570.db2.gz SXGAZDPTUGZRNP-LUYZLQTOSA-N 1 0 275.461 4.638 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000020558431 171250772 /nfs/dbraw/zinc/25/07/72/171250772.db2.gz SXGAZDPTUGZRNP-LQKXBSAESA-N 1 0 275.461 4.638 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000020558437 171250855 /nfs/dbraw/zinc/25/08/55/171250855.db2.gz GENLYDJEZGLQEY-OAHLLOKOSA-N 1 0 257.421 4.790 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]CCC2=CCCCC2)cc1 ZINC000020558439 171250656 /nfs/dbraw/zinc/25/06/56/171250656.db2.gz GENLYDJEZGLQEY-HNNXBMFYSA-N 1 0 257.421 4.790 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000020558551 171250856 /nfs/dbraw/zinc/25/08/56/171250856.db2.gz IQSDIYAZYDHUEF-MUYFXNHWSA-N 1 0 273.464 4.956 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000020558553 171250558 /nfs/dbraw/zinc/25/05/58/171250558.db2.gz IQSDIYAZYDHUEF-LRYGQEGESA-N 1 0 273.464 4.956 10 0 CJAERO CCCC[C@@H]([NH2+]C(CC)CC)c1ccc(F)cc1 ZINC000020558637 171251220 /nfs/dbraw/zinc/25/12/20/171251220.db2.gz ADLWVUIQMYDXPW-MRXNPFEDSA-N 1 0 251.389 4.835 10 0 CJAERO CCCC[C@H]([NH2+]C(CC)CC)c1ccc(F)cc1 ZINC000020558639 171251139 /nfs/dbraw/zinc/25/11/39/171251139.db2.gz ADLWVUIQMYDXPW-INIZCTEOSA-N 1 0 251.389 4.835 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1cccc(Br)c1 ZINC000020558861 171251038 /nfs/dbraw/zinc/25/10/38/171251038.db2.gz INUBIDBWDXRUME-GFCCVEGCSA-N 1 0 296.252 4.823 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1cccc(Br)c1 ZINC000020558863 171251172 /nfs/dbraw/zinc/25/11/72/171251172.db2.gz INUBIDBWDXRUME-LBPRGKRZSA-N 1 0 296.252 4.823 10 0 CJAERO c1ccc2c(c1)SCC[C@H]2[NH2+]C1CCCCCCC1 ZINC000020558869 171251235 /nfs/dbraw/zinc/25/12/35/171251235.db2.gz FWZANRFWCCDTSZ-MRXNPFEDSA-N 1 0 275.461 4.926 10 0 CJAERO c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CCCCCCC1 ZINC000020558871 171251103 /nfs/dbraw/zinc/25/11/03/171251103.db2.gz FWZANRFWCCDTSZ-INIZCTEOSA-N 1 0 275.461 4.926 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020558959 171251121 /nfs/dbraw/zinc/25/11/21/171251121.db2.gz XCGMNAFOFIQZFL-HYVNUMGLSA-N 1 0 289.463 4.951 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020558960 171251020 /nfs/dbraw/zinc/25/10/20/171251020.db2.gz XCGMNAFOFIQZFL-BHYGNILZSA-N 1 0 289.463 4.951 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020558962 171251160 /nfs/dbraw/zinc/25/11/60/171251160.db2.gz XCGMNAFOFIQZFL-PVAVHDDUSA-N 1 0 289.463 4.951 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020558964 171251075 /nfs/dbraw/zinc/25/10/75/171251075.db2.gz XCGMNAFOFIQZFL-XIRDDKMYSA-N 1 0 289.463 4.951 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000020559167 171251093 /nfs/dbraw/zinc/25/10/93/171251093.db2.gz FSFUJHZUVCPKKN-RHSMWYFYSA-N 1 0 291.479 4.905 10 0 CJAERO CC[C@H]([NH3+])[C@@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000020559169 171251174 /nfs/dbraw/zinc/25/11/74/171251174.db2.gz FSFUJHZUVCPKKN-PBHICJAKSA-N 1 0 291.479 4.905 10 0 CJAERO CC[C@@H]([NH3+])[C@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000020559171 171251151 /nfs/dbraw/zinc/25/11/51/171251151.db2.gz FSFUJHZUVCPKKN-WMLDXEAASA-N 1 0 291.479 4.905 10 0 CJAERO CC[C@H]([NH3+])[C@H](C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000020559173 171251155 /nfs/dbraw/zinc/25/11/55/171251155.db2.gz FSFUJHZUVCPKKN-YOEHRIQHSA-N 1 0 291.479 4.905 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000020559201 171251124 /nfs/dbraw/zinc/25/11/24/171251124.db2.gz FEIKRFCHMQQUIH-LMPOIIKSSA-N 1 0 251.458 4.760 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000020559203 171251109 /nfs/dbraw/zinc/25/11/09/171251109.db2.gz FEIKRFCHMQQUIH-LBDPXKHJSA-N 1 0 251.458 4.760 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000020559205 171251025 /nfs/dbraw/zinc/25/10/25/171251025.db2.gz FEIKRFCHMQQUIH-PRLABOORSA-N 1 0 251.458 4.760 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000020559207 171251243 /nfs/dbraw/zinc/25/12/43/171251243.db2.gz FEIKRFCHMQQUIH-SLTXQBBLSA-N 1 0 251.458 4.760 10 0 CJAERO c1ccc(CC[NH2+]C2CCCCCCCCCCC2)nc1 ZINC000020559440 171251012 /nfs/dbraw/zinc/25/10/12/171251012.db2.gz POHFEWIQRMMQAP-UHFFFAOYSA-N 1 0 288.479 4.887 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000020559689 171251589 /nfs/dbraw/zinc/25/15/89/171251589.db2.gz KSNYMXIUVKOVHC-HSBZDZAISA-N 1 0 265.828 4.959 10 0 CJAERO CCC1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000020559691 171251506 /nfs/dbraw/zinc/25/15/06/171251506.db2.gz KSNYMXIUVKOVHC-IYXRBSQSSA-N 1 0 265.828 4.959 10 0 CJAERO CCCCC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000020559697 171251364 /nfs/dbraw/zinc/25/13/64/171251364.db2.gz RVIAXIJVCIVFHN-AWEZNQCLSA-N 1 0 271.404 4.689 10 0 CJAERO CCCCC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000020559699 171251421 /nfs/dbraw/zinc/25/14/21/171251421.db2.gz RVIAXIJVCIVFHN-CQSZACIVSA-N 1 0 271.404 4.689 10 0 CJAERO CCC(C)(C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000020559819 171251452 /nfs/dbraw/zinc/25/14/52/171251452.db2.gz IUAGBYCUAGBMMF-UHFFFAOYSA-N 1 0 269.388 4.757 10 0 CJAERO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(C(C)(C)C)cc1 ZINC000020559825 171251605 /nfs/dbraw/zinc/25/16/05/171251605.db2.gz ILIYRXPKKUHMBK-CQSZACIVSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(C(C)(C)C)cc1 ZINC000020559827 171251320 /nfs/dbraw/zinc/25/13/20/171251320.db2.gz ILIYRXPKKUHMBK-AWEZNQCLSA-N 1 0 285.406 4.974 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020559894 171251599 /nfs/dbraw/zinc/25/15/99/171251599.db2.gz ZQVNBBCBNKHBMO-CYBMUJFWSA-N 1 0 253.817 4.646 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020559896 171251325 /nfs/dbraw/zinc/25/13/25/171251325.db2.gz ZQVNBBCBNKHBMO-ZDUSSCGKSA-N 1 0 253.817 4.646 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000020560086 171251483 /nfs/dbraw/zinc/25/14/83/171251483.db2.gz RGCXDKLQZOKDHN-IWTAEOLZSA-N 1 0 287.447 4.844 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000020560088 171251326 /nfs/dbraw/zinc/25/13/26/171251326.db2.gz RGCXDKLQZOKDHN-ZZNOFCQSSA-N 1 0 287.447 4.844 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000020560090 171251484 /nfs/dbraw/zinc/25/14/84/171251484.db2.gz RGCXDKLQZOKDHN-HQLMBJAVSA-N 1 0 287.447 4.844 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000020560092 171251632 /nfs/dbraw/zinc/25/16/32/171251632.db2.gz RGCXDKLQZOKDHN-PBQPPQDWSA-N 1 0 287.447 4.844 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000020560309 171251361 /nfs/dbraw/zinc/25/13/61/171251361.db2.gz CTINHFYQUQZGNE-DOXZYTNZSA-N 1 0 271.448 4.795 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000020560313 171251504 /nfs/dbraw/zinc/25/15/04/171251504.db2.gz CTINHFYQUQZGNE-YZVOILCLSA-N 1 0 271.448 4.795 10 0 CJAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccccc1Cl ZINC000020560467 171251594 /nfs/dbraw/zinc/25/15/94/171251594.db2.gz LJUQLRFYKDXLLC-GFCCVEGCSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)c1ccccc1Cl ZINC000020560469 171251448 /nfs/dbraw/zinc/25/14/48/171251448.db2.gz LJUQLRFYKDXLLC-LBPRGKRZSA-N 1 0 251.801 4.571 10 0 CJAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Oc2cccc(C(C)C)c2)cc1 ZINC000020560480 171251939 /nfs/dbraw/zinc/25/19/39/171251939.db2.gz JOSRTSFSQVGADS-DNVCBOLYSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2cccc(C(C)C)c2)cc1 ZINC000020560482 171251856 /nfs/dbraw/zinc/25/18/56/171251856.db2.gz JOSRTSFSQVGADS-KXBFYZLASA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Oc2cccc(C(C)C)c2)cc1 ZINC000020560484 171251935 /nfs/dbraw/zinc/25/19/35/171251935.db2.gz JOSRTSFSQVGADS-BEFAXECRSA-N 1 0 283.415 4.586 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccc(OC)cc1 ZINC000020561077 171251934 /nfs/dbraw/zinc/25/19/34/171251934.db2.gz HBLMUXJWTOQJTI-WMLDXEAASA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccc(OC)cc1 ZINC000020561079 171251968 /nfs/dbraw/zinc/25/19/68/171251968.db2.gz HBLMUXJWTOQJTI-YOEHRIQHSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccc(OC)cc1 ZINC000020561082 171251958 /nfs/dbraw/zinc/25/19/58/171251958.db2.gz HBLMUXJWTOQJTI-RHSMWYFYSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H]([NH2+][C@H](C)CCC(C)C)c1ccc(OC)cc1 ZINC000020561084 171251794 /nfs/dbraw/zinc/25/17/94/171251794.db2.gz HBLMUXJWTOQJTI-PBHICJAKSA-N 1 0 263.425 4.561 10 0 CJAERO CCc1ccc(C[NH2+]C2CCCCCCC2)s1 ZINC000020561101 171252066 /nfs/dbraw/zinc/25/20/66/171252066.db2.gz DKXLKLFQPDQKDQ-UHFFFAOYSA-N 1 0 251.439 4.513 10 0 CJAERO Cc1cc(Oc2ccc([C@@H](C)[NH3+])cc2)ccc1C(C)C ZINC000020561306 171251843 /nfs/dbraw/zinc/25/18/43/171251843.db2.gz MQSFRTYJRNTLMQ-CQSZACIVSA-N 1 0 269.388 4.930 10 0 CJAERO Cc1cc(Oc2ccc([C@H](C)[NH3+])cc2)ccc1C(C)C ZINC000020561309 171252009 /nfs/dbraw/zinc/25/20/09/171252009.db2.gz MQSFRTYJRNTLMQ-AWEZNQCLSA-N 1 0 269.388 4.930 10 0 CJAERO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000020561444 171251791 /nfs/dbraw/zinc/25/17/91/171251791.db2.gz HDVNACVCHUPNAO-ZDUSSCGKSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000020561447 171251765 /nfs/dbraw/zinc/25/17/65/171251765.db2.gz HDVNACVCHUPNAO-CYBMUJFWSA-N 1 0 273.807 4.753 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000020562032 171252199 /nfs/dbraw/zinc/25/21/99/171252199.db2.gz ATYYEHFEGZIDFD-JTQLQIEISA-N 1 0 259.315 4.545 10 0 CJAERO CCC(CC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000020562034 171252241 /nfs/dbraw/zinc/25/22/41/171252241.db2.gz ATYYEHFEGZIDFD-SNVBAGLBSA-N 1 0 259.315 4.545 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2c(Cl)cccc2Cl)cc1 ZINC000020562039 171252292 /nfs/dbraw/zinc/25/22/92/171252292.db2.gz BZHDROVLNFNUBF-OAHLLOKOSA-N 1 0 280.198 4.604 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2c(Cl)cccc2Cl)cc1 ZINC000020562040 171252339 /nfs/dbraw/zinc/25/23/39/171252339.db2.gz BZHDROVLNFNUBF-HNNXBMFYSA-N 1 0 280.198 4.604 10 0 CJAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000020562435 171252447 /nfs/dbraw/zinc/25/24/47/171252447.db2.gz YINRNLRWMKKVJG-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1ccc(Cl)cc1 ZINC000020562438 171252345 /nfs/dbraw/zinc/25/23/45/171252345.db2.gz YINRNLRWMKKVJG-VIFPVBQESA-N 1 0 281.783 4.650 10 0 CJAERO CC(C)(C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000020562641 171252230 /nfs/dbraw/zinc/25/22/30/171252230.db2.gz LLQOVDRDJZRUFA-UHFFFAOYSA-N 1 0 263.400 4.520 10 0 CJAERO c1c2ccccc2oc1C[NH2+]C1CCCCCCC1 ZINC000020563085 171252702 /nfs/dbraw/zinc/25/27/02/171252702.db2.gz GNQMBYFSOXVIGP-UHFFFAOYSA-N 1 0 257.377 4.635 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2Cl)cc1 ZINC000020563185 171252696 /nfs/dbraw/zinc/25/26/96/171252696.db2.gz ZOYCIZMUQWHXSH-SNVBAGLBSA-N 1 0 263.793 4.511 10 0 CJAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2Cl)cc1 ZINC000020563187 171252720 /nfs/dbraw/zinc/25/27/20/171252720.db2.gz ZOYCIZMUQWHXSH-JTQLQIEISA-N 1 0 263.793 4.511 10 0 CJAERO C[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000020563712 171252887 /nfs/dbraw/zinc/25/28/87/171252887.db2.gz RUJUUMAFVFEVDP-WMLDXEAASA-N 1 0 283.440 4.617 10 0 CJAERO C[C@H](C[NH2+][C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000020563714 171252941 /nfs/dbraw/zinc/25/29/41/171252941.db2.gz RUJUUMAFVFEVDP-RHSMWYFYSA-N 1 0 283.440 4.617 10 0 CJAERO C[C@@H](C[NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000020563716 171253236 /nfs/dbraw/zinc/25/32/36/171253236.db2.gz RUJUUMAFVFEVDP-YOEHRIQHSA-N 1 0 283.440 4.617 10 0 CJAERO C[C@H](C[NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000020563718 171252811 /nfs/dbraw/zinc/25/28/11/171252811.db2.gz RUJUUMAFVFEVDP-PBHICJAKSA-N 1 0 283.440 4.617 10 0 CJAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000020563872 171252980 /nfs/dbraw/zinc/25/29/80/171252980.db2.gz HQCVPMISXFJQTE-CJNGLKHVSA-N 1 0 261.409 4.606 10 0 CJAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000020563873 171252942 /nfs/dbraw/zinc/25/29/42/171252942.db2.gz HQCVPMISXFJQTE-BBRMVZONSA-N 1 0 261.409 4.606 10 0 CJAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000020563874 171252878 /nfs/dbraw/zinc/25/28/78/171252878.db2.gz HQCVPMISXFJQTE-CZUORRHYSA-N 1 0 261.409 4.606 10 0 CJAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000020563875 171252979 /nfs/dbraw/zinc/25/29/79/171252979.db2.gz HQCVPMISXFJQTE-XJKSGUPXSA-N 1 0 261.409 4.606 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000020563891 171253251 /nfs/dbraw/zinc/25/32/51/171253251.db2.gz DUCMESWMTMRZJD-SJKOYZFVSA-N 1 0 271.791 4.678 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000020563893 171252907 /nfs/dbraw/zinc/25/29/07/171252907.db2.gz DUCMESWMTMRZJD-YVEFUNNKSA-N 1 0 271.791 4.678 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000020563895 171253104 /nfs/dbraw/zinc/25/31/04/171253104.db2.gz DUCMESWMTMRZJD-PXAZEXFGSA-N 1 0 271.791 4.678 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000020563896 171252828 /nfs/dbraw/zinc/25/28/28/171252828.db2.gz DUCMESWMTMRZJD-SJCJKPOMSA-N 1 0 271.791 4.678 10 0 CJAERO CCC(CC)C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020564062 171252967 /nfs/dbraw/zinc/25/29/67/171252967.db2.gz ZDXVHODKRYEPJK-FCCIYARUSA-N 1 0 263.469 4.617 10 0 CJAERO CCC(CC)C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020564064 171252851 /nfs/dbraw/zinc/25/28/51/171252851.db2.gz ZDXVHODKRYEPJK-MZHSRFCDSA-N 1 0 263.469 4.617 10 0 CJAERO CCC[C@@H]([NH2+]C(CC)CC)c1ccc(Cl)cc1 ZINC000020564096 171253062 /nfs/dbraw/zinc/25/30/62/171253062.db2.gz KQZFPBKOPPVSMY-OAHLLOKOSA-N 1 0 253.817 4.959 10 0 CJAERO CCC[C@H]([NH2+]C(CC)CC)c1ccc(Cl)cc1 ZINC000020564098 171252817 /nfs/dbraw/zinc/25/28/17/171252817.db2.gz KQZFPBKOPPVSMY-HNNXBMFYSA-N 1 0 253.817 4.959 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000020564137 171252961 /nfs/dbraw/zinc/25/29/61/171252961.db2.gz HPIMTEZLVAPZOJ-CYBMUJFWSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000020564139 171253048 /nfs/dbraw/zinc/25/30/48/171253048.db2.gz HPIMTEZLVAPZOJ-ZDUSSCGKSA-N 1 0 273.807 4.753 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000020564182 171253261 /nfs/dbraw/zinc/25/32/61/171253261.db2.gz GUFSQPYGQOOJBR-OAHLLOKOSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000020564183 171253095 /nfs/dbraw/zinc/25/30/95/171253095.db2.gz GUFSQPYGQOOJBR-HNNXBMFYSA-N 1 0 271.379 4.602 10 0 CJAERO CC(C)C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000020564206 171252900 /nfs/dbraw/zinc/25/29/00/171252900.db2.gz ZGPZPLXLPUFIAN-VMWRSERWSA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)C[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1 ZINC000020564208 171253056 /nfs/dbraw/zinc/25/30/56/171253056.db2.gz ZGPZPLXLPUFIAN-VJFUWPCTSA-N 1 0 259.437 4.942 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000020564249 171253006 /nfs/dbraw/zinc/25/30/06/171253006.db2.gz VURHJSUVWWCFGH-DGTBMVLOSA-N 1 0 275.480 4.904 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000020564251 171253181 /nfs/dbraw/zinc/25/31/81/171253181.db2.gz VURHJSUVWWCFGH-ISOUWHGUSA-N 1 0 275.480 4.904 10 0 CJAERO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020564442 329476399 /nfs/dbraw/zinc/47/63/99/329476399.db2.gz RHGQCNPLKORXLE-MSOLQXFVSA-N 1 0 281.399 4.714 10 0 CJAERO Fc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000020564515 171253624 /nfs/dbraw/zinc/25/36/24/171253624.db2.gz CLBMAHLNCCTUAU-UHFFFAOYSA-N 1 0 283.390 4.642 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020564639 171253359 /nfs/dbraw/zinc/25/33/59/171253359.db2.gz NBDORORYSJKSKU-CQSZACIVSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000020564641 171253417 /nfs/dbraw/zinc/25/34/17/171253417.db2.gz NBDORORYSJKSKU-AWEZNQCLSA-N 1 0 285.406 4.974 10 0 CJAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)o1 ZINC000020564791 171253704 /nfs/dbraw/zinc/25/37/04/171253704.db2.gz DWRSGNWJNHTMGA-DOPJRALCSA-N 1 0 281.399 4.570 10 0 CJAERO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)o1 ZINC000020564795 171253588 /nfs/dbraw/zinc/25/35/88/171253588.db2.gz DWRSGNWJNHTMGA-MORSLUCNSA-N 1 0 281.399 4.570 10 0 CJAERO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000020564872 171253445 /nfs/dbraw/zinc/25/34/45/171253445.db2.gz HEOMBFUKBMUIIJ-LBPRGKRZSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000020564874 171253338 /nfs/dbraw/zinc/25/33/38/171253338.db2.gz HEOMBFUKBMUIIJ-GFCCVEGCSA-N 1 0 294.225 4.887 10 0 CJAERO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000020564898 171253471 /nfs/dbraw/zinc/25/34/71/171253471.db2.gz MJAIHLRYXOIIFL-OLZOCXBDSA-N 1 0 253.817 4.959 10 0 CJAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000020564900 171253371 /nfs/dbraw/zinc/25/33/71/171253371.db2.gz MJAIHLRYXOIIFL-STQMWFEESA-N 1 0 253.817 4.959 10 0 CJAERO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000020564902 171253460 /nfs/dbraw/zinc/25/34/60/171253460.db2.gz MJAIHLRYXOIIFL-CHWSQXEVSA-N 1 0 253.817 4.959 10 0 CJAERO CCCCC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000020564904 171253492 /nfs/dbraw/zinc/25/34/92/171253492.db2.gz MJAIHLRYXOIIFL-QWHCGFSZSA-N 1 0 253.817 4.959 10 0 CJAERO CCCCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020565158 171253906 /nfs/dbraw/zinc/25/39/06/171253906.db2.gz MHFPQVWVTYLHOJ-UHFFFAOYSA-N 1 0 277.355 4.578 10 0 CJAERO CC[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000020565200 171253889 /nfs/dbraw/zinc/25/38/89/171253889.db2.gz LVOXLJGWWGFNCW-VDSRIPIWSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@H]([NH2+]C1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000020565202 171253892 /nfs/dbraw/zinc/25/38/92/171253892.db2.gz LVOXLJGWWGFNCW-MOQPWLNLSA-N 1 0 265.828 4.959 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000020565251 171254129 /nfs/dbraw/zinc/25/41/29/171254129.db2.gz UMISSKJOTRPONG-XJISEUOASA-N 1 0 275.480 4.760 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000020565254 171253891 /nfs/dbraw/zinc/25/38/91/171253891.db2.gz UMISSKJOTRPONG-HLBJPQRNSA-N 1 0 275.480 4.760 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H](C)CCC(C)C)c(C)s1 ZINC000020565475 171253829 /nfs/dbraw/zinc/25/38/29/171253829.db2.gz OQVWDKBWDHSPNF-YPMHNXCESA-N 1 0 253.455 4.840 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c(C)s1 ZINC000020565477 171253919 /nfs/dbraw/zinc/25/39/19/171253919.db2.gz OQVWDKBWDHSPNF-AAEUAGOBSA-N 1 0 253.455 4.840 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c(C)s1 ZINC000020565478 171254182 /nfs/dbraw/zinc/25/41/82/171254182.db2.gz OQVWDKBWDHSPNF-DGCLKSJQSA-N 1 0 253.455 4.840 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c(C)s1 ZINC000020565480 171254059 /nfs/dbraw/zinc/25/40/59/171254059.db2.gz OQVWDKBWDHSPNF-WCQYABFASA-N 1 0 253.455 4.840 10 0 CJAERO CC[C@@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1 ZINC000020565486 171253874 /nfs/dbraw/zinc/25/38/74/171253874.db2.gz YTDUBXRARACQNP-OAHLLOKOSA-N 1 0 251.801 4.713 10 0 CJAERO CC[C@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1 ZINC000020565488 171254150 /nfs/dbraw/zinc/25/41/50/171254150.db2.gz YTDUBXRARACQNP-HNNXBMFYSA-N 1 0 251.801 4.713 10 0 CJAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000020565509 171253969 /nfs/dbraw/zinc/25/39/69/171253969.db2.gz LANIWQZQDWJANS-QGZVFWFLSA-N 1 0 281.443 4.778 10 0 CJAERO CC(C)Cc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000020565510 171253820 /nfs/dbraw/zinc/25/38/20/171253820.db2.gz LANIWQZQDWJANS-KRWDZBQOSA-N 1 0 281.443 4.778 10 0 CJAERO CCCCC[NH2+][C@@H](CCC)c1ccc(Cl)cc1 ZINC000020565617 171254207 /nfs/dbraw/zinc/25/42/07/171254207.db2.gz IAZSUMOGLMMWPN-HNNXBMFYSA-N 1 0 253.817 4.961 10 0 CJAERO CCCCC[NH2+][C@H](CCC)c1ccc(Cl)cc1 ZINC000020565618 171254022 /nfs/dbraw/zinc/25/40/22/171254022.db2.gz IAZSUMOGLMMWPN-OAHLLOKOSA-N 1 0 253.817 4.961 10 0 CJAERO CCC(C)(C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020565654 171254123 /nfs/dbraw/zinc/25/41/23/171254123.db2.gz KWLPGWBMXRMURQ-VIFPVBQESA-N 1 0 260.208 4.833 10 0 CJAERO CCC(C)(C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020565655 171253894 /nfs/dbraw/zinc/25/38/94/171253894.db2.gz KWLPGWBMXRMURQ-SECBINFHSA-N 1 0 260.208 4.833 10 0 CJAERO CCCCCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020565659 171254009 /nfs/dbraw/zinc/25/40/09/171254009.db2.gz VNXUIMHIFJUMMW-INIZCTEOSA-N 1 0 277.452 4.952 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020565660 171253961 /nfs/dbraw/zinc/25/39/61/171253961.db2.gz VNXUIMHIFJUMMW-MRXNPFEDSA-N 1 0 277.452 4.952 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000020565708 171254494 /nfs/dbraw/zinc/25/44/94/171254494.db2.gz JYTHPDQYISZEFU-CQSZACIVSA-N 1 0 283.390 4.555 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000020565709 171254476 /nfs/dbraw/zinc/25/44/76/171254476.db2.gz JYTHPDQYISZEFU-AWEZNQCLSA-N 1 0 283.390 4.555 10 0 CJAERO Clc1cccc(Cl)c1C[NH2+]CCCc1ccccc1 ZINC000020565739 171254334 /nfs/dbraw/zinc/25/43/34/171254334.db2.gz JLJVYBXNPAYKIN-UHFFFAOYSA-N 1 0 294.225 4.716 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020565887 171254309 /nfs/dbraw/zinc/25/43/09/171254309.db2.gz KPYPGDBGSFMFSL-BODMPHMZSA-N 1 0 277.427 4.937 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020565889 171254272 /nfs/dbraw/zinc/25/42/72/171254272.db2.gz KPYPGDBGSFMFSL-USJZOSNVSA-N 1 0 277.427 4.937 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020565890 171254437 /nfs/dbraw/zinc/25/44/37/171254437.db2.gz KPYPGDBGSFMFSL-NONVJHHQSA-N 1 0 277.427 4.937 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020565891 171254399 /nfs/dbraw/zinc/25/43/99/171254399.db2.gz KPYPGDBGSFMFSL-ZZCKCESHSA-N 1 0 277.427 4.937 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000020566106 171254440 /nfs/dbraw/zinc/25/44/40/171254440.db2.gz KQNBILHEWJHIOZ-CQSZACIVSA-N 1 0 279.358 4.830 10 0 CJAERO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000020566107 171254407 /nfs/dbraw/zinc/25/44/07/171254407.db2.gz KQNBILHEWJHIOZ-AWEZNQCLSA-N 1 0 279.358 4.830 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000020566194 171254425 /nfs/dbraw/zinc/25/44/25/171254425.db2.gz XICKFXSOIQRPRB-TYNCELHUSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000020566195 171254532 /nfs/dbraw/zinc/25/45/32/171254532.db2.gz XICKFXSOIQRPRB-SLEUVZQESA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000020566196 171254389 /nfs/dbraw/zinc/25/43/89/171254389.db2.gz XICKFXSOIQRPRB-XUJVJEKNSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000020566197 171254463 /nfs/dbraw/zinc/25/44/63/171254463.db2.gz XICKFXSOIQRPRB-HUBLWGQQSA-N 1 0 251.801 4.569 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@H](C)c2ccccc2C)c(C)c1 ZINC000020566212 171254422 /nfs/dbraw/zinc/25/44/22/171254422.db2.gz RDRJOEBVCOEPNJ-QGZVFWFLSA-N 1 0 267.416 4.771 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccccc2C)c(C)c1 ZINC000020566214 171254520 /nfs/dbraw/zinc/25/45/20/171254520.db2.gz RDRJOEBVCOEPNJ-KRWDZBQOSA-N 1 0 267.416 4.771 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1cccc(Cl)c1 ZINC000020566324 171254688 /nfs/dbraw/zinc/25/46/88/171254688.db2.gz QVCLHBYFVBHCPJ-LBPRGKRZSA-N 1 0 251.801 4.713 10 0 CJAERO CC(C)CCCCCC[NH2+]Cc1ccc(F)cc1 ZINC000020566397 171254848 /nfs/dbraw/zinc/25/48/48/171254848.db2.gz NRDYQFHCRKEBCX-UHFFFAOYSA-N 1 0 251.389 4.522 10 0 CJAERO CCCC1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000020566633 171254669 /nfs/dbraw/zinc/25/46/69/171254669.db2.gz CNSLEOPVGJUQLM-UHFFFAOYSA-N 1 0 265.828 4.789 10 0 CJAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000020566674 171254684 /nfs/dbraw/zinc/25/46/84/171254684.db2.gz TZIWVWOLRFSFDR-MNOVXSKESA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000020566675 171254659 /nfs/dbraw/zinc/25/46/59/171254659.db2.gz TZIWVWOLRFSFDR-QWRGUYRKSA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000020566676 171254893 /nfs/dbraw/zinc/25/48/93/171254893.db2.gz TZIWVWOLRFSFDR-GHMZBOCLSA-N 1 0 259.315 4.545 10 0 CJAERO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000020566677 171254602 /nfs/dbraw/zinc/25/46/02/171254602.db2.gz TZIWVWOLRFSFDR-WDEREUQCSA-N 1 0 259.315 4.545 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000020566702 171254862 /nfs/dbraw/zinc/25/48/62/171254862.db2.gz YRAJZALLQQEQHN-OOHWJJMZSA-N 1 0 274.452 4.727 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000020566703 171254742 /nfs/dbraw/zinc/25/47/42/171254742.db2.gz YRAJZALLQQEQHN-ODIFPOPNSA-N 1 0 274.452 4.727 10 0 CJAERO C[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020566735 171254814 /nfs/dbraw/zinc/25/48/14/171254814.db2.gz JAZCGRSKCCHTIE-LBPRGKRZSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000020566736 171254839 /nfs/dbraw/zinc/25/48/39/171254839.db2.gz JAZCGRSKCCHTIE-GFCCVEGCSA-N 1 0 294.225 4.887 10 0 CJAERO Nc1ccccc1C[NH+](C1CCCCC1)C1CCCCC1 ZINC000020566833 171254844 /nfs/dbraw/zinc/25/48/44/171254844.db2.gz LSDZBFSGFGBVJE-UHFFFAOYSA-N 1 0 286.463 4.736 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000020566968 171254587 /nfs/dbraw/zinc/25/45/87/171254587.db2.gz ULUIIZTXRMZTJL-CQSZACIVSA-N 1 0 271.379 4.800 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2)cc1 ZINC000020566969 171254670 /nfs/dbraw/zinc/25/46/70/171254670.db2.gz ULUIIZTXRMZTJL-AWEZNQCLSA-N 1 0 271.379 4.800 10 0 CJAERO CC[C@@H]([NH2+]CCc1cccs1)c1cccc(Cl)c1 ZINC000020567061 171255295 /nfs/dbraw/zinc/25/52/95/171255295.db2.gz RWNFJZQLJNOFKR-OAHLLOKOSA-N 1 0 279.836 4.685 10 0 CJAERO CC[C@H]([NH2+]CCc1cccs1)c1cccc(Cl)c1 ZINC000020567062 171255152 /nfs/dbraw/zinc/25/51/52/171255152.db2.gz RWNFJZQLJNOFKR-HNNXBMFYSA-N 1 0 279.836 4.685 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020567075 171255281 /nfs/dbraw/zinc/25/52/81/171255281.db2.gz IIYCOMRVPPXKDW-KURKYZTESA-N 1 0 289.463 4.597 10 0 CJAERO CC[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020567076 171255047 /nfs/dbraw/zinc/25/50/47/171255047.db2.gz IIYCOMRVPPXKDW-KSZLIROESA-N 1 0 289.463 4.597 10 0 CJAERO CC[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020567078 171255058 /nfs/dbraw/zinc/25/50/58/171255058.db2.gz IIYCOMRVPPXKDW-KZNAEPCWSA-N 1 0 289.463 4.597 10 0 CJAERO CC[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020567079 171255145 /nfs/dbraw/zinc/25/51/45/171255145.db2.gz IIYCOMRVPPXKDW-RCCFBDPRSA-N 1 0 289.463 4.597 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000020567087 171255007 /nfs/dbraw/zinc/25/50/07/171255007.db2.gz HIHCQLUYXBYSLS-CYBMUJFWSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000020567088 171255298 /nfs/dbraw/zinc/25/52/98/171255298.db2.gz HIHCQLUYXBYSLS-ZDUSSCGKSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(F)c1 ZINC000020567103 171255088 /nfs/dbraw/zinc/25/50/88/171255088.db2.gz AGSPYIHVRNEUNJ-DVOMOZLQSA-N 1 0 263.400 4.691 10 0 CJAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)c1cccc(F)c1 ZINC000020567105 171255138 /nfs/dbraw/zinc/25/51/38/171255138.db2.gz AGSPYIHVRNEUNJ-HEHGZKQESA-N 1 0 263.400 4.691 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(F)c1 ZINC000020567107 171255272 /nfs/dbraw/zinc/25/52/72/171255272.db2.gz AGSPYIHVRNEUNJ-WWGRRREGSA-N 1 0 263.400 4.691 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)c1cccc(F)c1 ZINC000020567109 171255087 /nfs/dbraw/zinc/25/50/87/171255087.db2.gz AGSPYIHVRNEUNJ-XEZPLFJOSA-N 1 0 263.400 4.691 10 0 CJAERO CC(C)(C)C1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000020567254 171255003 /nfs/dbraw/zinc/25/50/03/171255003.db2.gz SNYNRRFZDCNIGD-LEOMRAHMSA-N 1 0 271.448 4.868 10 0 CJAERO CC(C)(C)C1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000020567256 171255029 /nfs/dbraw/zinc/25/50/29/171255029.db2.gz SNYNRRFZDCNIGD-HTWSVDAQSA-N 1 0 271.448 4.868 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000020567291 262251826 /nfs/dbraw/zinc/25/18/26/262251826.db2.gz VPCMNLDEPRKJTE-AUUYWEPGSA-N 1 0 265.400 4.587 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000020567292 262251624 /nfs/dbraw/zinc/25/16/24/262251624.db2.gz VPCMNLDEPRKJTE-IFXJQAMLSA-N 1 0 265.400 4.587 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020567293 262253557 /nfs/dbraw/zinc/25/35/57/262253557.db2.gz VPCMNLDEPRKJTE-KUHUBIRLSA-N 1 0 265.400 4.587 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020567294 262253595 /nfs/dbraw/zinc/25/35/95/262253595.db2.gz VPCMNLDEPRKJTE-LIRRHRJNSA-N 1 0 265.400 4.587 10 0 CJAERO Cc1cc(Oc2cccc(F)c2[C@@H](C)[NH3+])ccc1Cl ZINC000020567383 171255356 /nfs/dbraw/zinc/25/53/56/171255356.db2.gz PKLKLJJCDOXVER-SNVBAGLBSA-N 1 0 279.742 4.600 10 0 CJAERO Cc1cc(Oc2cccc(F)c2[C@H](C)[NH3+])ccc1Cl ZINC000020567384 171255158 /nfs/dbraw/zinc/25/51/58/171255158.db2.gz PKLKLJJCDOXVER-JTQLQIEISA-N 1 0 279.742 4.600 10 0 CJAERO Cc1cccc(C[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000020567450 171255176 /nfs/dbraw/zinc/25/51/76/171255176.db2.gz WRAQKKBUBYUZOG-UHFFFAOYSA-N 1 0 279.427 4.811 10 0 CJAERO Cc1ccc([C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cc1C ZINC000020587240 171259610 /nfs/dbraw/zinc/25/96/10/171259610.db2.gz KOZQVTZHLRKFIU-CHNSHAQVSA-N 1 0 269.432 4.520 10 0 CJAERO Cc1ccc([C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cc1C ZINC000020587242 171259689 /nfs/dbraw/zinc/25/96/89/171259689.db2.gz KOZQVTZHLRKFIU-ZJIILYSQSA-N 1 0 269.432 4.520 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)cc1C ZINC000020587253 171259487 /nfs/dbraw/zinc/25/94/87/171259487.db2.gz CHPGWCIUKNNWCQ-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)cc1C ZINC000020587255 171259430 /nfs/dbraw/zinc/25/94/30/171259430.db2.gz CHPGWCIUKNNWCQ-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2Cl)cc1C ZINC000020587277 171259499 /nfs/dbraw/zinc/25/94/99/171259499.db2.gz OZDNTFVHXKIXMO-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)cc2Cl)cc1C ZINC000020587280 171259544 /nfs/dbraw/zinc/25/95/44/171259544.db2.gz OZDNTFVHXKIXMO-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)cc1C ZINC000020587328 171259666 /nfs/dbraw/zinc/25/96/66/171259666.db2.gz SDWWSAYWEWMJJC-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)cc(Cl)c2)cc1C ZINC000020587331 171259364 /nfs/dbraw/zinc/25/93/64/171259364.db2.gz SDWWSAYWEWMJJC-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cccc(Cl)c2Cl)cc1C ZINC000020587365 171259589 /nfs/dbraw/zinc/25/95/89/171259589.db2.gz YMYXBDFVZURNJX-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cccc(Cl)c2Cl)cc1C ZINC000020587367 171259413 /nfs/dbraw/zinc/25/94/13/171259413.db2.gz YMYXBDFVZURNJX-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2c(Cl)cccc2Cl)cc1C ZINC000020587374 171259384 /nfs/dbraw/zinc/25/93/84/171259384.db2.gz VYJYLVFPTWMTTI-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2c(Cl)cccc2Cl)cc1C ZINC000020587376 171259519 /nfs/dbraw/zinc/25/95/19/171259519.db2.gz VYJYLVFPTWMTTI-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)cc1C ZINC000020587393 171259618 /nfs/dbraw/zinc/25/96/18/171259618.db2.gz ZMKCTRPEDZNOIT-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)cc1C ZINC000020587395 171259395 /nfs/dbraw/zinc/25/93/95/171259395.db2.gz ZMKCTRPEDZNOIT-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc(C)c([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)c1 ZINC000020592820 171262160 /nfs/dbraw/zinc/26/21/60/171262160.db2.gz IQRIJHWSWAQIIT-QGZVFWFLSA-N 1 0 285.774 4.751 10 0 CJAERO Cc1ccc(C)c([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)c1 ZINC000020592821 171262103 /nfs/dbraw/zinc/26/21/03/171262103.db2.gz IQRIJHWSWAQIIT-KRWDZBQOSA-N 1 0 285.774 4.751 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)c(C)c1 ZINC000020592826 171262073 /nfs/dbraw/zinc/26/20/73/171262073.db2.gz GDANNDKHRMXQOJ-QGZVFWFLSA-N 1 0 285.774 4.751 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)c(C)c1 ZINC000020592827 171262043 /nfs/dbraw/zinc/26/20/43/171262043.db2.gz GDANNDKHRMXQOJ-KRWDZBQOSA-N 1 0 285.774 4.751 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1 ZINC000020592830 171262707 /nfs/dbraw/zinc/26/27/07/171262707.db2.gz QFESUWNODPIGSI-QGZVFWFLSA-N 1 0 285.774 4.697 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1 ZINC000020592831 171262516 /nfs/dbraw/zinc/26/25/16/171262516.db2.gz QFESUWNODPIGSI-KRWDZBQOSA-N 1 0 285.774 4.697 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1C ZINC000020592842 171262411 /nfs/dbraw/zinc/26/24/11/171262411.db2.gz KVEPMLSIRXZQHX-QGZVFWFLSA-N 1 0 285.774 4.751 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1C ZINC000020592843 171262596 /nfs/dbraw/zinc/26/25/96/171262596.db2.gz KVEPMLSIRXZQHX-KRWDZBQOSA-N 1 0 285.774 4.751 10 0 CJAERO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000020592876 171262478 /nfs/dbraw/zinc/26/24/78/171262478.db2.gz GJQNZGHWMWABSJ-GOSISDBHSA-N 1 0 279.383 4.913 10 0 CJAERO Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000020592877 171262678 /nfs/dbraw/zinc/26/26/78/171262678.db2.gz GJQNZGHWMWABSJ-SFHVURJKSA-N 1 0 279.383 4.913 10 0 CJAERO Cc1c2cc(Br)ccc2oc1[C@@H]([NH3+])C(C)(C)C ZINC000020593040 171262397 /nfs/dbraw/zinc/26/23/97/171262397.db2.gz FQNRQRXFBWKRQN-CYBMUJFWSA-N 1 0 296.208 4.550 10 0 CJAERO Cc1c2cc(Br)ccc2oc1[C@H]([NH3+])C(C)(C)C ZINC000020593041 171262460 /nfs/dbraw/zinc/26/24/60/171262460.db2.gz FQNRQRXFBWKRQN-ZDUSSCGKSA-N 1 0 296.208 4.550 10 0 CJAERO CC(C)(C)[C@@H]([NH3+])c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020593114 171262455 /nfs/dbraw/zinc/26/24/55/171262455.db2.gz HUYQGPHTKWYGPR-LBPRGKRZSA-N 1 0 272.175 4.786 10 0 CJAERO CC(C)(C)[C@H]([NH3+])c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020593115 171262504 /nfs/dbraw/zinc/26/25/04/171262504.db2.gz HUYQGPHTKWYGPR-GFCCVEGCSA-N 1 0 272.175 4.786 10 0 CJAERO [NH3+][C@@H](CC1CCCCC1)c1csc2ccccc12 ZINC000020596263 171264982 /nfs/dbraw/zinc/26/49/82/171264982.db2.gz TZDDKBXIDXYFIC-HNNXBMFYSA-N 1 0 259.418 4.872 10 0 CJAERO [NH3+][C@H](CC1CCCCC1)c1csc2ccccc12 ZINC000020596264 171265186 /nfs/dbraw/zinc/26/51/86/171265186.db2.gz TZDDKBXIDXYFIC-OAHLLOKOSA-N 1 0 259.418 4.872 10 0 CJAERO [NH3+][C@H](c1csc2ccccc21)c1cc(Cl)ccc1F ZINC000020596297 171264978 /nfs/dbraw/zinc/26/49/78/171264978.db2.gz DFCDSGPRTLJPFD-HNNXBMFYSA-N 1 0 291.778 4.742 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc21)c1cc(Cl)ccc1F ZINC000020596298 171265229 /nfs/dbraw/zinc/26/52/29/171265229.db2.gz DFCDSGPRTLJPFD-OAHLLOKOSA-N 1 0 291.778 4.742 10 0 CJAERO [NH3+][C@H](c1csc2ccccc21)c1ccc(F)cc1Cl ZINC000020596329 171265014 /nfs/dbraw/zinc/26/50/14/171265014.db2.gz FIAQDMADOUUBIW-HNNXBMFYSA-N 1 0 291.778 4.742 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc21)c1ccc(F)cc1Cl ZINC000020596330 171264962 /nfs/dbraw/zinc/26/49/62/171264962.db2.gz FIAQDMADOUUBIW-OAHLLOKOSA-N 1 0 291.778 4.742 10 0 CJAERO [NH3+][C@@H](CCC1CCCC1)c1csc2ccccc12 ZINC000020596333 171265377 /nfs/dbraw/zinc/26/53/77/171265377.db2.gz RXXKJLXDTWKNGU-HNNXBMFYSA-N 1 0 259.418 4.872 10 0 CJAERO [NH3+][C@H](CCC1CCCC1)c1csc2ccccc12 ZINC000020596334 171265351 /nfs/dbraw/zinc/26/53/51/171265351.db2.gz RXXKJLXDTWKNGU-OAHLLOKOSA-N 1 0 259.418 4.872 10 0 CJAERO Cc1cccc([C@@H]([NH3+])c2csc3ccccc32)c1C ZINC000020596363 171265253 /nfs/dbraw/zinc/26/52/53/171265253.db2.gz FBPMINSMPMESTC-QGZVFWFLSA-N 1 0 267.397 4.566 10 0 CJAERO Cc1cccc([C@H]([NH3+])c2csc3ccccc32)c1C ZINC000020596364 171265380 /nfs/dbraw/zinc/26/53/80/171265380.db2.gz FBPMINSMPMESTC-KRWDZBQOSA-N 1 0 267.397 4.566 10 0 CJAERO [NH3+][C@H](c1csc2ccccc21)c1cccc(Cl)c1 ZINC000020596365 171265372 /nfs/dbraw/zinc/26/53/72/171265372.db2.gz YBBFAFYXLHHPJH-HNNXBMFYSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc21)c1cccc(Cl)c1 ZINC000020596366 171265347 /nfs/dbraw/zinc/26/53/47/171265347.db2.gz YBBFAFYXLHHPJH-OAHLLOKOSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@H](c1csc2ccccc21)c1ccc(Cl)cc1 ZINC000020596379 171265336 /nfs/dbraw/zinc/26/53/36/171265336.db2.gz OMQPEBKGQOYPTL-HNNXBMFYSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc21)c1ccc(Cl)cc1 ZINC000020596380 171265057 /nfs/dbraw/zinc/26/50/57/171265057.db2.gz OMQPEBKGQOYPTL-OAHLLOKOSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@H](c1csc2ccccc21)c1ccccc1Cl ZINC000020596381 171265301 /nfs/dbraw/zinc/26/53/01/171265301.db2.gz FCTIFZLELSUPPJ-HNNXBMFYSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc21)c1ccccc1Cl ZINC000020596382 171264998 /nfs/dbraw/zinc/26/49/98/171264998.db2.gz FCTIFZLELSUPPJ-OAHLLOKOSA-N 1 0 273.788 4.603 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc21)c1c(F)cccc1Cl ZINC000020596409 171265242 /nfs/dbraw/zinc/26/52/42/171265242.db2.gz VQDAZLNIMPHQOI-HNNXBMFYSA-N 1 0 291.778 4.742 10 0 CJAERO [NH3+][C@H](c1csc2ccccc21)c1c(F)cccc1Cl ZINC000020596410 171265222 /nfs/dbraw/zinc/26/52/22/171265222.db2.gz VQDAZLNIMPHQOI-OAHLLOKOSA-N 1 0 291.778 4.742 10 0 CJAERO Clc1nc2ccccc2cc1C[NH2+]C1CCCCCC1 ZINC000020967194 171281947 /nfs/dbraw/zinc/28/19/47/171281947.db2.gz OEXYZJXJBVMMPT-UHFFFAOYSA-N 1 0 288.822 4.701 10 0 CJAERO Cc1cccc(O[C@@H]2CCCCCCCCCC[C@@H]2[NH3+])c1 ZINC000021007678 171285279 /nfs/dbraw/zinc/28/52/79/171285279.db2.gz PEPQUWTVPPNSRO-RBUKOAKNSA-N 1 0 289.463 4.984 10 0 CJAERO Cc1cccc(O[C@H]2CCCCCCCCCC[C@@H]2[NH3+])c1 ZINC000021007680 171285198 /nfs/dbraw/zinc/28/51/98/171285198.db2.gz PEPQUWTVPPNSRO-OALUTQOASA-N 1 0 289.463 4.984 10 0 CJAERO Cc1cccc(O[C@@H]2CCCCCCCCCC[C@H]2[NH3+])c1 ZINC000021007682 171285222 /nfs/dbraw/zinc/28/52/22/171285222.db2.gz PEPQUWTVPPNSRO-RTBURBONSA-N 1 0 289.463 4.984 10 0 CJAERO Cc1cccc(O[C@H]2CCCCCCCCCC[C@H]2[NH3+])c1 ZINC000021007684 171285237 /nfs/dbraw/zinc/28/52/37/171285237.db2.gz PEPQUWTVPPNSRO-MOPGFXCFSA-N 1 0 289.463 4.984 10 0 CJAERO CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000021007815 171285241 /nfs/dbraw/zinc/28/52/41/171285241.db2.gz FDRZAGLFJZROEV-QGZVFWFLSA-N 1 0 291.797 4.763 10 0 CJAERO CC[C@H]([NH2+]CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000021007817 171285253 /nfs/dbraw/zinc/28/52/53/171285253.db2.gz FDRZAGLFJZROEV-KRWDZBQOSA-N 1 0 291.797 4.763 10 0 CJAERO c1ccc(Oc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000021007864 171285255 /nfs/dbraw/zinc/28/52/55/171285255.db2.gz RGOYQQIUZIJJCP-UHFFFAOYSA-N 1 0 281.399 4.901 10 0 CJAERO CC(C)C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021008501 171285509 /nfs/dbraw/zinc/28/55/09/171285509.db2.gz WJUSAXUMLAXZOY-CGTJXYLNSA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021008502 171285429 /nfs/dbraw/zinc/28/54/29/171285429.db2.gz WJUSAXUMLAXZOY-JQHSSLGASA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021008503 171285631 /nfs/dbraw/zinc/28/56/31/171285631.db2.gz WJUSAXUMLAXZOY-RYQLBKOJSA-N 1 0 259.437 4.942 10 0 CJAERO CCCC1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000021008527 171285359 /nfs/dbraw/zinc/28/53/59/171285359.db2.gz AOEFLKDGTJFETI-UHFFFAOYSA-N 1 0 265.828 4.789 10 0 CJAERO c1cn(CCC[NH2+]C2CCCCCCC2)c2ccccc12 ZINC000021008559 171285351 /nfs/dbraw/zinc/28/53/51/171285351.db2.gz WPLQLENIHIHZMC-UHFFFAOYSA-N 1 0 284.447 4.734 10 0 CJAERO C[C@@H](C[NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000021008608 171285419 /nfs/dbraw/zinc/28/54/19/171285419.db2.gz KKBJHEFILFDPQO-INIZCTEOSA-N 1 0 275.395 4.733 10 0 CJAERO C[C@H](C[NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000021008609 171285355 /nfs/dbraw/zinc/28/53/55/171285355.db2.gz KKBJHEFILFDPQO-MRXNPFEDSA-N 1 0 275.395 4.733 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000021008611 171285425 /nfs/dbraw/zinc/28/54/25/171285425.db2.gz CSJSVQLDYBULLQ-LALPHHSUSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[C@@H]1C ZINC000021008612 171285373 /nfs/dbraw/zinc/28/53/73/171285373.db2.gz CSJSVQLDYBULLQ-YWPYICTPSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000021008613 171285356 /nfs/dbraw/zinc/28/53/56/171285356.db2.gz CSJSVQLDYBULLQ-JMSVASOKSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000021008614 171285649 /nfs/dbraw/zinc/28/56/49/171285649.db2.gz CSJSVQLDYBULLQ-ZOWXZIJZSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H](CCc1ccco1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000021008815 171285514 /nfs/dbraw/zinc/28/55/14/171285514.db2.gz LXHAAFSAHRQKLQ-NSHDSACASA-N 1 0 298.213 4.697 10 0 CJAERO C[C@H](CCc1ccco1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000021008816 171285671 /nfs/dbraw/zinc/28/56/71/171285671.db2.gz LXHAAFSAHRQKLQ-LLVKDONJSA-N 1 0 298.213 4.697 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021008852 171285406 /nfs/dbraw/zinc/28/54/06/171285406.db2.gz JHBSVTSQQWMDIG-HYVNUMGLSA-N 1 0 259.437 4.942 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021008853 171285581 /nfs/dbraw/zinc/28/55/81/171285581.db2.gz JHBSVTSQQWMDIG-BHYGNILZSA-N 1 0 259.437 4.942 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021008854 171285678 /nfs/dbraw/zinc/28/56/78/171285678.db2.gz JHBSVTSQQWMDIG-PVAVHDDUSA-N 1 0 259.437 4.942 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021008855 171285567 /nfs/dbraw/zinc/28/55/67/171285567.db2.gz JHBSVTSQQWMDIG-XIRDDKMYSA-N 1 0 259.437 4.942 10 0 CJAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000021008923 171285348 /nfs/dbraw/zinc/28/53/48/171285348.db2.gz OULNKFZVUGLYMN-LJQANCHMSA-N 1 0 279.427 4.761 10 0 CJAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000021008924 171285623 /nfs/dbraw/zinc/28/56/23/171285623.db2.gz OULNKFZVUGLYMN-IBGZPJMESA-N 1 0 279.427 4.761 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000021009008 171285946 /nfs/dbraw/zinc/28/59/46/171285946.db2.gz NPYNQZOFRXXXST-FUJMWEONSA-N 1 0 265.828 4.959 10 0 CJAERO CCC1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000021009009 171286146 /nfs/dbraw/zinc/28/61/46/171286146.db2.gz NPYNQZOFRXXXST-VEAWUBTESA-N 1 0 265.828 4.959 10 0 CJAERO Cc1ccc([C@H]([NH3+])COc2cccc(C(C)C)c2)c(C)c1 ZINC000021009061 171285765 /nfs/dbraw/zinc/28/57/65/171285765.db2.gz BVMRUEINVDYGTE-LJQANCHMSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])COc2cccc(C(C)C)c2)c(C)c1 ZINC000021009062 171286095 /nfs/dbraw/zinc/28/60/95/171286095.db2.gz BVMRUEINVDYGTE-IBGZPJMESA-N 1 0 283.415 4.506 10 0 CJAERO CC(C)c1ccc(Oc2ccc([C@@H](C)[NH3+])cc2F)cc1 ZINC000021009122 171285822 /nfs/dbraw/zinc/28/58/22/171285822.db2.gz PZBUHJSUGKVPAX-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1ccc(Oc2ccc([C@H](C)[NH3+])cc2F)cc1 ZINC000021009123 171285845 /nfs/dbraw/zinc/28/58/45/171285845.db2.gz PZBUHJSUGKVPAX-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)C[NH2+][C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021009587 171286454 /nfs/dbraw/zinc/28/64/54/171286454.db2.gz KNZVONFVSTXWJB-AWEZNQCLSA-N 1 0 265.400 4.564 10 0 CJAERO CC(C)C[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021009589 171286406 /nfs/dbraw/zinc/28/64/06/171286406.db2.gz KNZVONFVSTXWJB-CQSZACIVSA-N 1 0 265.400 4.564 10 0 CJAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000021009882 171286325 /nfs/dbraw/zinc/28/63/25/171286325.db2.gz RRMPVSIWFGHUJT-ZNMIVQPWSA-N 1 0 255.405 4.925 10 0 CJAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000021009886 171286225 /nfs/dbraw/zinc/28/62/25/171286225.db2.gz RRMPVSIWFGHUJT-KKUMJFAQSA-N 1 0 255.405 4.925 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1Oc1ccccc1 ZINC000021009936 171286367 /nfs/dbraw/zinc/28/63/67/171286367.db2.gz FIVTXXVZQZEWHC-MSOLQXFVSA-N 1 0 275.436 4.676 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1Oc1ccccc1 ZINC000021009938 171286402 /nfs/dbraw/zinc/28/64/02/171286402.db2.gz FIVTXXVZQZEWHC-ROUUACIJSA-N 1 0 275.436 4.676 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1Oc1ccccc1 ZINC000021009940 171286389 /nfs/dbraw/zinc/28/63/89/171286389.db2.gz FIVTXXVZQZEWHC-QZTJIDSGSA-N 1 0 275.436 4.676 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1Oc1ccccc1 ZINC000021009942 171286340 /nfs/dbraw/zinc/28/63/40/171286340.db2.gz FIVTXXVZQZEWHC-ZWKOTPCHSA-N 1 0 275.436 4.676 10 0 CJAERO CCC[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000021009983 171286462 /nfs/dbraw/zinc/28/64/62/171286462.db2.gz UTNIPAOIGPYJRE-OAHLLOKOSA-N 1 0 251.801 4.713 10 0 CJAERO CCC[C@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1 ZINC000021009985 171286376 /nfs/dbraw/zinc/28/63/76/171286376.db2.gz UTNIPAOIGPYJRE-HNNXBMFYSA-N 1 0 251.801 4.713 10 0 CJAERO CC[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(Cl)c1 ZINC000021010008 171286458 /nfs/dbraw/zinc/28/64/58/171286458.db2.gz JCAJCJDHBUURLS-VDSRIPIWSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@H]([NH2+]C1CCC(C)CC1)c1cccc(Cl)c1 ZINC000021010010 171286443 /nfs/dbraw/zinc/28/64/43/171286443.db2.gz JCAJCJDHBUURLS-MOQPWLNLSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000021010038 171286320 /nfs/dbraw/zinc/28/63/20/171286320.db2.gz XCBFDENLEMSCAL-OAHLLOKOSA-N 1 0 263.812 4.569 10 0 CJAERO CC[C@H]([NH2+]C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000021010040 171286445 /nfs/dbraw/zinc/28/64/45/171286445.db2.gz XCBFDENLEMSCAL-HNNXBMFYSA-N 1 0 263.812 4.569 10 0 CJAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(C(C)(C)CC)cc2)C1 ZINC000021010166 171286820 /nfs/dbraw/zinc/28/68/20/171286820.db2.gz LOIOSCYYWHHIHX-OLMNPRSZSA-N 1 0 289.463 4.659 10 0 CJAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(C(C)(C)CC)cc2)C1 ZINC000021010170 171286786 /nfs/dbraw/zinc/28/67/86/171286786.db2.gz LOIOSCYYWHHIHX-JLSDUUJJSA-N 1 0 289.463 4.659 10 0 CJAERO [NH3+][C@@H](CCC1CCCCC1)c1ccc(Br)cc1 ZINC000021010555 171286611 /nfs/dbraw/zinc/28/66/11/171286611.db2.gz DVBLEOYUBATLED-HNNXBMFYSA-N 1 0 296.252 4.809 10 0 CJAERO [NH3+][C@H](CCC1CCCCC1)c1ccc(Br)cc1 ZINC000021010557 171286704 /nfs/dbraw/zinc/28/67/04/171286704.db2.gz DVBLEOYUBATLED-OAHLLOKOSA-N 1 0 296.252 4.809 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]CCCc2ccccc2)cc1 ZINC000021010599 171286629 /nfs/dbraw/zinc/28/66/29/171286629.db2.gz GZUQYYDXQSLVDB-INIZCTEOSA-N 1 0 267.416 4.532 10 0 CJAERO FC(F)(F)Oc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000021010791 171286885 /nfs/dbraw/zinc/28/68/85/171286885.db2.gz DQFJDCPWPOPARP-UHFFFAOYSA-N 1 0 299.336 4.565 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1C(F)(F)F ZINC000021010862 171286648 /nfs/dbraw/zinc/28/66/48/171286648.db2.gz AINKEFNTXLHEPF-OTTFEQOBSA-N 1 0 285.353 4.935 10 0 CJAERO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021010912 171286694 /nfs/dbraw/zinc/28/66/94/171286694.db2.gz STLVUCKRUDZYSO-ZJUUUORDSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021010914 171286613 /nfs/dbraw/zinc/28/66/13/171286613.db2.gz STLVUCKRUDZYSO-UWVGGRQHSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021010916 171286577 /nfs/dbraw/zinc/28/65/77/171286577.db2.gz STLVUCKRUDZYSO-NXEZZACHSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021010918 171286749 /nfs/dbraw/zinc/28/67/49/171286749.db2.gz STLVUCKRUDZYSO-VHSXEESVSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@@H](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000021011061 171287314 /nfs/dbraw/zinc/28/73/14/171287314.db2.gz MBRFUELWNKYBSZ-OLMNPRSZSA-N 1 0 253.389 4.516 10 0 CJAERO CC[C@H](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000021011063 171287041 /nfs/dbraw/zinc/28/70/41/171287041.db2.gz MBRFUELWNKYBSZ-QGTPRVQTSA-N 1 0 253.389 4.516 10 0 CJAERO CC[C@@H](C)[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000021011065 171287084 /nfs/dbraw/zinc/28/70/84/171287084.db2.gz MBRFUELWNKYBSZ-JLSDUUJJSA-N 1 0 253.389 4.516 10 0 CJAERO CC[C@H](C)[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000021011067 171287108 /nfs/dbraw/zinc/28/71/08/171287108.db2.gz MBRFUELWNKYBSZ-WBAXXEDZSA-N 1 0 253.389 4.516 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000021011410 171287012 /nfs/dbraw/zinc/28/70/12/171287012.db2.gz XVWFDPBBEHSIRW-CABCVRRESA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000021011412 171287104 /nfs/dbraw/zinc/28/71/04/171287104.db2.gz XVWFDPBBEHSIRW-GJZGRUSLSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000021011414 171287100 /nfs/dbraw/zinc/28/71/00/171287100.db2.gz XVWFDPBBEHSIRW-HUUCEWRRSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000021011416 171287043 /nfs/dbraw/zinc/28/70/43/171287043.db2.gz XVWFDPBBEHSIRW-LSDHHAIUSA-N 1 0 271.379 4.854 10 0 CJAERO CCC[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000021011637 171287323 /nfs/dbraw/zinc/28/73/23/171287323.db2.gz GCVACZMUHSHIHL-CYGHRXIMSA-N 1 0 259.437 4.942 10 0 CJAERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000021011639 171287260 /nfs/dbraw/zinc/28/72/60/171287260.db2.gz GCVACZMUHSHIHL-ATLSCFEFSA-N 1 0 259.437 4.942 10 0 CJAERO CCC[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000021011641 171287312 /nfs/dbraw/zinc/28/73/12/171287312.db2.gz GCVACZMUHSHIHL-MXSMSXNCSA-N 1 0 259.437 4.942 10 0 CJAERO CCC[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000021011643 171287131 /nfs/dbraw/zinc/28/71/31/171287131.db2.gz GCVACZMUHSHIHL-FZCLSBEQSA-N 1 0 259.437 4.942 10 0 CJAERO c1ccc([C@H]([NH2+]C2CCCC2)C2CCCCC2)cc1 ZINC000021011756 171287249 /nfs/dbraw/zinc/28/72/49/171287249.db2.gz KZQRFKVCOHVRQR-SFHVURJKSA-N 1 0 257.421 4.840 10 0 CJAERO c1ccc([C@@H]([NH2+]C2CCCC2)C2CCCCC2)cc1 ZINC000021011757 171287357 /nfs/dbraw/zinc/28/73/57/171287357.db2.gz KZQRFKVCOHVRQR-GOSISDBHSA-N 1 0 257.421 4.840 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1OCCC ZINC000021011811 171287372 /nfs/dbraw/zinc/28/73/72/171287372.db2.gz KVCXGOKIGLGFLE-LSDHHAIUSA-N 1 0 293.451 4.713 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1OCCC ZINC000021011812 171287277 /nfs/dbraw/zinc/28/72/77/171287277.db2.gz KVCXGOKIGLGFLE-GJZGRUSLSA-N 1 0 293.451 4.713 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1OCCC ZINC000021011813 171287264 /nfs/dbraw/zinc/28/72/64/171287264.db2.gz KVCXGOKIGLGFLE-HUUCEWRRSA-N 1 0 293.451 4.713 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1OCCC ZINC000021011814 171287023 /nfs/dbraw/zinc/28/70/23/171287023.db2.gz KVCXGOKIGLGFLE-CABCVRRESA-N 1 0 293.451 4.713 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000021011838 171287485 /nfs/dbraw/zinc/28/74/85/171287485.db2.gz BNGQNTMZWURPPU-LLVKDONJSA-N 1 0 293.769 4.908 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccc([C@H](C)[NH3+])cc1F ZINC000021011839 171287636 /nfs/dbraw/zinc/28/76/36/171287636.db2.gz BNGQNTMZWURPPU-NSHDSACASA-N 1 0 293.769 4.908 10 0 CJAERO CCCC[NH2+][C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021012057 171287571 /nfs/dbraw/zinc/28/75/71/171287571.db2.gz WSGVCZIBDKDRAR-AWEZNQCLSA-N 1 0 265.400 4.709 10 0 CJAERO CCCC[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021012058 171287425 /nfs/dbraw/zinc/28/74/25/171287425.db2.gz WSGVCZIBDKDRAR-CQSZACIVSA-N 1 0 265.400 4.709 10 0 CJAERO C[C@@H]([NH2+]CCc1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000021012338 171288197 /nfs/dbraw/zinc/28/81/97/171288197.db2.gz GQVDKXNKUKJLOE-CQSZACIVSA-N 1 0 287.472 4.939 10 0 CJAERO C[C@H]([NH2+]CCc1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000021012339 171288206 /nfs/dbraw/zinc/28/82/06/171288206.db2.gz GQVDKXNKUKJLOE-AWEZNQCLSA-N 1 0 287.472 4.939 10 0 CJAERO CC1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000021012348 171287876 /nfs/dbraw/zinc/28/78/76/171287876.db2.gz MEFDLNPUQDUKCO-SSHXOBKSSA-N 1 0 251.458 4.760 10 0 CJAERO CC1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000021012349 171288065 /nfs/dbraw/zinc/28/80/65/171288065.db2.gz MEFDLNPUQDUKCO-CKUJCDMFSA-N 1 0 251.458 4.760 10 0 CJAERO CC1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000021012350 171287907 /nfs/dbraw/zinc/28/79/07/171287907.db2.gz MEFDLNPUQDUKCO-QDIHITRGSA-N 1 0 251.458 4.760 10 0 CJAERO CC1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000021012351 171288006 /nfs/dbraw/zinc/28/80/06/171288006.db2.gz MEFDLNPUQDUKCO-FJBKBRRZSA-N 1 0 251.458 4.760 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021012398 171288137 /nfs/dbraw/zinc/28/81/37/171288137.db2.gz ZWFFWBUBMPRORG-KGLIPLIRSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021012399 171288033 /nfs/dbraw/zinc/28/80/33/171288033.db2.gz ZWFFWBUBMPRORG-KBPBESRZSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000021012400 171288008 /nfs/dbraw/zinc/28/80/08/171288008.db2.gz ZWFFWBUBMPRORG-ZIAGYGMSSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000021012401 171288115 /nfs/dbraw/zinc/28/81/15/171288115.db2.gz ZWFFWBUBMPRORG-UONOGXRCSA-N 1 0 251.389 4.691 10 0 CJAERO CCC(CC)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021012442 171287945 /nfs/dbraw/zinc/28/79/45/171287945.db2.gz AVKXQMREWWJWRS-UHFFFAOYSA-N 1 0 267.416 4.802 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000021012480 171288155 /nfs/dbraw/zinc/28/81/55/171288155.db2.gz UWCINNDGLOOMJI-INIZCTEOSA-N 1 0 281.443 4.985 10 0 CJAERO CCC(CC)[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000021012481 171288100 /nfs/dbraw/zinc/28/81/00/171288100.db2.gz UWCINNDGLOOMJI-MRXNPFEDSA-N 1 0 281.443 4.985 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cl)c(C)c1 ZINC000021012651 171288044 /nfs/dbraw/zinc/28/80/44/171288044.db2.gz FHHLNKIXMRHORQ-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cl)c(C)c1 ZINC000021012652 171287870 /nfs/dbraw/zinc/28/78/70/171287870.db2.gz FHHLNKIXMRHORQ-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccc(F)c1 ZINC000021012656 171288223 /nfs/dbraw/zinc/28/82/23/171288223.db2.gz RWKLHIKKRUVYNQ-AUUYWEPGSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccc(F)c1 ZINC000021012657 171288036 /nfs/dbraw/zinc/28/80/36/171288036.db2.gz RWKLHIKKRUVYNQ-IFXJQAMLSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccc(F)c1 ZINC000021012658 171288019 /nfs/dbraw/zinc/28/80/19/171288019.db2.gz RWKLHIKKRUVYNQ-KUHUBIRLSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccc(F)c1 ZINC000021012659 171287975 /nfs/dbraw/zinc/28/79/75/171287975.db2.gz RWKLHIKKRUVYNQ-LIRRHRJNSA-N 1 0 283.390 4.944 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1Cl ZINC000021012750 171288536 /nfs/dbraw/zinc/28/85/36/171288536.db2.gz WBIAIDJFQNVSBQ-CPCZMJQVSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccccc1Cl ZINC000021012751 171288492 /nfs/dbraw/zinc/28/84/92/171288492.db2.gz WBIAIDJFQNVSBQ-OTTFEQOBSA-N 1 0 251.801 4.569 10 0 CJAERO Fc1ccc(C[NH2+]C2CCCCCCC2)c(Cl)c1 ZINC000021012756 171288379 /nfs/dbraw/zinc/28/83/79/171288379.db2.gz ZRTLGPYAZSSZPT-UHFFFAOYSA-N 1 0 269.791 4.682 10 0 CJAERO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021012780 171288448 /nfs/dbraw/zinc/28/84/48/171288448.db2.gz CBFDNXXMJMXCEW-CABCVRRESA-N 1 0 253.389 4.803 10 0 CJAERO CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021012781 171288559 /nfs/dbraw/zinc/28/85/59/171288559.db2.gz CBFDNXXMJMXCEW-GJZGRUSLSA-N 1 0 253.389 4.803 10 0 CJAERO CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021012782 171288430 /nfs/dbraw/zinc/28/84/30/171288430.db2.gz CBFDNXXMJMXCEW-HUUCEWRRSA-N 1 0 253.389 4.803 10 0 CJAERO CC[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021012783 171288485 /nfs/dbraw/zinc/28/84/85/171288485.db2.gz CBFDNXXMJMXCEW-LSDHHAIUSA-N 1 0 253.389 4.803 10 0 CJAERO Cc1ccc([C@@H]([NH2+]C2CCCC2)c2ccccc2)c(C)c1 ZINC000021012796 171288564 /nfs/dbraw/zinc/28/85/64/171288564.db2.gz BNXNTWUUPKXXRC-FQEVSTJZSA-N 1 0 279.427 4.925 10 0 CJAERO Cc1ccc([C@H]([NH2+]C2CCCC2)c2ccccc2)c(C)c1 ZINC000021012797 171288431 /nfs/dbraw/zinc/28/84/31/171288431.db2.gz BNXNTWUUPKXXRC-HXUWFJFHSA-N 1 0 279.427 4.925 10 0 CJAERO CC(C)CCCCCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021012838 171288526 /nfs/dbraw/zinc/28/85/26/171288526.db2.gz DXBDVQNZOVVWPF-UHFFFAOYSA-N 1 0 299.405 4.984 10 0 CJAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000021012984 171288571 /nfs/dbraw/zinc/28/85/71/171288571.db2.gz HZNBIRQXCXVJCW-CQSZACIVSA-N 1 0 279.383 4.846 10 0 CJAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000021012985 171288442 /nfs/dbraw/zinc/28/84/42/171288442.db2.gz HZNBIRQXCXVJCW-AWEZNQCLSA-N 1 0 279.383 4.846 10 0 CJAERO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc2c(c1)CCCC2 ZINC000021013025 171288478 /nfs/dbraw/zinc/28/84/78/171288478.db2.gz XNDIHELWLYLZMU-CQSZACIVSA-N 1 0 283.390 4.555 10 0 CJAERO C[C@H]([NH2+]Cc1ccccc1F)c1ccc2c(c1)CCCC2 ZINC000021013026 171288534 /nfs/dbraw/zinc/28/85/34/171288534.db2.gz XNDIHELWLYLZMU-AWEZNQCLSA-N 1 0 283.390 4.555 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000021013028 171288377 /nfs/dbraw/zinc/28/83/77/171288377.db2.gz GTLAXSGEJFGFBX-CYBMUJFWSA-N 1 0 263.340 4.652 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000021013029 171288471 /nfs/dbraw/zinc/28/84/71/171288471.db2.gz GTLAXSGEJFGFBX-ZDUSSCGKSA-N 1 0 263.340 4.652 10 0 CJAERO CCC(CC)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021013057 171288434 /nfs/dbraw/zinc/28/84/34/171288434.db2.gz VRUYGUGLLONMGA-UHFFFAOYSA-N 1 0 253.389 4.554 10 0 CJAERO CC(C)CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000021013219 171288657 /nfs/dbraw/zinc/28/86/57/171288657.db2.gz VVNJAZBITMSEQM-GOSISDBHSA-N 1 0 271.379 4.551 10 0 CJAERO COc1ccc2cc(C[NH2+]C3CCC(C)CC3)ccc2c1 ZINC000021013783 171288850 /nfs/dbraw/zinc/28/88/50/171288850.db2.gz LYZKEBJMUZIOBV-UHFFFAOYSA-N 1 0 283.415 4.517 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000021013835 171288904 /nfs/dbraw/zinc/28/89/04/171288904.db2.gz ICDNDOUQPVFWAP-XUJVJEKNSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021013836 171288883 /nfs/dbraw/zinc/28/88/83/171288883.db2.gz ICDNDOUQPVFWAP-HUBLWGQQSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000021013837 171288966 /nfs/dbraw/zinc/28/89/66/171288966.db2.gz ICDNDOUQPVFWAP-TYNCELHUSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021013838 171288786 /nfs/dbraw/zinc/28/87/86/171288786.db2.gz ICDNDOUQPVFWAP-SLEUVZQESA-N 1 0 251.801 4.569 10 0 CJAERO CCCC[C@@H]([NH2+]CCC(C)C)c1ccc(F)cc1 ZINC000021013847 171289054 /nfs/dbraw/zinc/28/90/54/171289054.db2.gz JNOPOHAWDVDHQH-MRXNPFEDSA-N 1 0 251.389 4.693 10 0 CJAERO CCCC[C@H]([NH2+]CCC(C)C)c1ccc(F)cc1 ZINC000021013848 171288970 /nfs/dbraw/zinc/28/89/70/171288970.db2.gz JNOPOHAWDVDHQH-INIZCTEOSA-N 1 0 251.389 4.693 10 0 CJAERO CCC[C@@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000021013891 171288854 /nfs/dbraw/zinc/28/88/54/171288854.db2.gz XLDNAGVHJYYTRQ-CYBMUJFWSA-N 1 0 251.373 4.535 10 0 CJAERO CCC[C@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000021013892 171288934 /nfs/dbraw/zinc/28/89/34/171288934.db2.gz XLDNAGVHJYYTRQ-ZDUSSCGKSA-N 1 0 251.373 4.535 10 0 CJAERO CCCCCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000021013948 171289027 /nfs/dbraw/zinc/28/90/27/171289027.db2.gz PWCZGUAGYONLQB-UHFFFAOYSA-N 1 0 291.382 4.968 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cc(C)cc(C)c2)C1 ZINC000021014232 171289270 /nfs/dbraw/zinc/28/92/70/171289270.db2.gz OTZWYFRMPALNGX-NXHRZFHOSA-N 1 0 289.463 4.614 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2cc(C)cc(C)c2)C1 ZINC000021014236 171289106 /nfs/dbraw/zinc/28/91/06/171289106.db2.gz OTZWYFRMPALNGX-NJAFHUGGSA-N 1 0 289.463 4.614 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+]Cc1ccccc1Cl ZINC000021014292 171289382 /nfs/dbraw/zinc/28/93/82/171289382.db2.gz HOIFCFPRBOKQLI-UHFFFAOYSA-N 1 0 267.844 4.890 10 0 CJAERO CCCC[C@@H]([NH2+][C@@H](C)CCC)c1ccc(F)cc1 ZINC000021014360 171289394 /nfs/dbraw/zinc/28/93/94/171289394.db2.gz KBVJLCJBLWUERY-XJKSGUPXSA-N 1 0 251.389 4.835 10 0 CJAERO CCCC[C@H]([NH2+][C@@H](C)CCC)c1ccc(F)cc1 ZINC000021014362 171289198 /nfs/dbraw/zinc/28/91/98/171289198.db2.gz KBVJLCJBLWUERY-BBRMVZONSA-N 1 0 251.389 4.835 10 0 CJAERO CCCC[C@H]([NH2+][C@H](C)CCC)c1ccc(F)cc1 ZINC000021014366 171289415 /nfs/dbraw/zinc/28/94/15/171289415.db2.gz KBVJLCJBLWUERY-CJNGLKHVSA-N 1 0 251.389 4.835 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000021014582 171289121 /nfs/dbraw/zinc/28/91/21/171289121.db2.gz UQIMRNNGFIUADW-LJQANCHMSA-N 1 0 265.400 4.587 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000021014584 171289200 /nfs/dbraw/zinc/28/92/00/171289200.db2.gz UQIMRNNGFIUADW-IBGZPJMESA-N 1 0 265.400 4.587 10 0 CJAERO CCc1ccc(O[C@@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2[NH3+])cc1 ZINC000021014834 171289236 /nfs/dbraw/zinc/28/92/36/171289236.db2.gz HFPWZBIYADNTRS-RYQLBKOJSA-N 1 0 289.463 4.560 10 0 CJAERO CCc1ccc(O[C@H]2C[C@@H](C(C)(C)CC)CC[C@@H]2[NH3+])cc1 ZINC000021014836 171289209 /nfs/dbraw/zinc/28/92/09/171289209.db2.gz HFPWZBIYADNTRS-SZMVWBNQSA-N 1 0 289.463 4.560 10 0 CJAERO CCc1ccc(O[C@@H]2C[C@H](C(C)(C)CC)CC[C@@H]2[NH3+])cc1 ZINC000021014838 171289301 /nfs/dbraw/zinc/28/93/01/171289301.db2.gz HFPWZBIYADNTRS-BPQIPLTHSA-N 1 0 289.463 4.560 10 0 CJAERO CCc1ccc(O[C@H]2C[C@H](C(C)(C)CC)CC[C@@H]2[NH3+])cc1 ZINC000021014840 171289338 /nfs/dbraw/zinc/28/93/38/171289338.db2.gz HFPWZBIYADNTRS-NJAFHUGGSA-N 1 0 289.463 4.560 10 0 CJAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021014909 171289250 /nfs/dbraw/zinc/28/92/50/171289250.db2.gz JYVWQOXEYXUXOC-ZJUUUORDSA-N 1 0 260.208 4.833 10 0 CJAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021014911 171289118 /nfs/dbraw/zinc/28/91/18/171289118.db2.gz JYVWQOXEYXUXOC-UWVGGRQHSA-N 1 0 260.208 4.833 10 0 CJAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021014913 171289101 /nfs/dbraw/zinc/28/91/01/171289101.db2.gz JYVWQOXEYXUXOC-NXEZZACHSA-N 1 0 260.208 4.833 10 0 CJAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021014915 171289429 /nfs/dbraw/zinc/28/94/29/171289429.db2.gz JYVWQOXEYXUXOC-VHSXEESVSA-N 1 0 260.208 4.833 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cccc(Br)c1 ZINC000021014928 171289240 /nfs/dbraw/zinc/28/92/40/171289240.db2.gz UPFFQOXEFGFZQH-AVERBVTBSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cccc(Br)c1 ZINC000021014930 171289292 /nfs/dbraw/zinc/28/92/92/171289292.db2.gz UPFFQOXEFGFZQH-MQYJIDSJSA-N 1 0 296.252 4.678 10 0 CJAERO CCC[C@@H](C)[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000021015100 171289296 /nfs/dbraw/zinc/28/92/96/171289296.db2.gz CTTYHQZSYJDXFL-QGZVFWFLSA-N 1 0 281.443 4.619 10 0 CJAERO CCC[C@H](C)[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000021015102 171289266 /nfs/dbraw/zinc/28/92/66/171289266.db2.gz CTTYHQZSYJDXFL-KRWDZBQOSA-N 1 0 281.443 4.619 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021015105 171289304 /nfs/dbraw/zinc/28/93/04/171289304.db2.gz WRVHBGWHLZABAG-JVWICGRDSA-N 1 0 263.450 4.638 10 0 CJAERO CSc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021015108 171289211 /nfs/dbraw/zinc/28/92/11/171289211.db2.gz WRVHBGWHLZABAG-OWYJLGKBSA-N 1 0 263.450 4.638 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000021015111 171289293 /nfs/dbraw/zinc/28/92/93/171289293.db2.gz NFATVQDEPIZSOL-JKSUJKDBSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000021015114 171289399 /nfs/dbraw/zinc/28/93/99/171289399.db2.gz NFATVQDEPIZSOL-HOTGVXAUSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000021015117 171289313 /nfs/dbraw/zinc/28/93/13/171289313.db2.gz NFATVQDEPIZSOL-HZPDHXFCSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000021015120 171289298 /nfs/dbraw/zinc/28/92/98/171289298.db2.gz NFATVQDEPIZSOL-CVEARBPZSA-N 1 0 283.415 4.724 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000021015155 171289649 /nfs/dbraw/zinc/28/96/49/171289649.db2.gz OBASEAWXGNZWAP-OLZOCXBDSA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000021015158 171289539 /nfs/dbraw/zinc/28/95/39/171289539.db2.gz OBASEAWXGNZWAP-STQMWFEESA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000021015161 171289767 /nfs/dbraw/zinc/28/97/67/171289767.db2.gz OBASEAWXGNZWAP-CHWSQXEVSA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000021015164 171289765 /nfs/dbraw/zinc/28/97/65/171289765.db2.gz OBASEAWXGNZWAP-QWHCGFSZSA-N 1 0 298.268 4.924 10 0 CJAERO Cc1cc(Cl)ccc1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021015234 171289596 /nfs/dbraw/zinc/28/95/96/171289596.db2.gz GTQRPPMVFNKVCJ-SNVBAGLBSA-N 1 0 279.742 4.600 10 0 CJAERO Cc1cc(Cl)ccc1Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000021015237 171289724 /nfs/dbraw/zinc/28/97/24/171289724.db2.gz GTQRPPMVFNKVCJ-JTQLQIEISA-N 1 0 279.742 4.600 10 0 CJAERO c1csc(CC[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000021015354 171289627 /nfs/dbraw/zinc/28/96/27/171289627.db2.gz BKPYQPZTHLRNQE-UHFFFAOYSA-N 1 0 285.456 4.607 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000021015515 171289668 /nfs/dbraw/zinc/28/96/68/171289668.db2.gz GLZYZBAEMDPFBT-VQIMIIECSA-N 1 0 279.427 4.944 10 0 CJAERO C[C@H]1CCC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000021015518 171289662 /nfs/dbraw/zinc/28/96/62/171289662.db2.gz GLZYZBAEMDPFBT-QFBILLFUSA-N 1 0 279.427 4.944 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000021015521 171289664 /nfs/dbraw/zinc/28/96/64/171289664.db2.gz GLZYZBAEMDPFBT-APWZRJJASA-N 1 0 279.427 4.944 10 0 CJAERO C[C@H]1CCC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000021015523 171289601 /nfs/dbraw/zinc/28/96/01/171289601.db2.gz GLZYZBAEMDPFBT-LPHOPBHVSA-N 1 0 279.427 4.944 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000021015658 171289592 /nfs/dbraw/zinc/28/95/92/171289592.db2.gz FUPSUIRFCVXKPP-FPAYPSAMSA-N 1 0 273.464 4.841 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000021015661 171289571 /nfs/dbraw/zinc/28/95/71/171289571.db2.gz FUPSUIRFCVXKPP-NBMJBFSESA-N 1 0 273.464 4.841 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000021015663 171289653 /nfs/dbraw/zinc/28/96/53/171289653.db2.gz FUPSUIRFCVXKPP-RWQQGDIJSA-N 1 0 273.464 4.841 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000021015666 171289516 /nfs/dbraw/zinc/28/95/16/171289516.db2.gz FUPSUIRFCVXKPP-ISARSNTHSA-N 1 0 273.464 4.841 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(OC(F)F)cc1 ZINC000021016157 171289544 /nfs/dbraw/zinc/28/95/44/171289544.db2.gz WCAOSDGHFCKUMB-GFCCVEGCSA-N 1 0 283.362 4.661 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(OC(F)F)cc1 ZINC000021016162 171289665 /nfs/dbraw/zinc/28/96/65/171289665.db2.gz WCAOSDGHFCKUMB-LBPRGKRZSA-N 1 0 283.362 4.661 10 0 CJAERO CC(C)c1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000021016787 171289943 /nfs/dbraw/zinc/28/99/43/171289943.db2.gz IMTSWMLMSAXJMG-CYBMUJFWSA-N 1 0 255.361 4.622 10 0 CJAERO CC(C)c1ccccc1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000021016791 171289824 /nfs/dbraw/zinc/28/98/24/171289824.db2.gz IMTSWMLMSAXJMG-ZDUSSCGKSA-N 1 0 255.361 4.622 10 0 CJAERO Cc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021016940 171289870 /nfs/dbraw/zinc/28/98/70/171289870.db2.gz AUQSHYPOOMPMJS-AYAHVVACSA-N 1 0 283.459 4.690 10 0 CJAERO Cc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021016944 171289914 /nfs/dbraw/zinc/28/99/14/171289914.db2.gz AUQSHYPOOMPMJS-KEDVPNTESA-N 1 0 283.459 4.690 10 0 CJAERO FC(F)(F)c1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000021017232 171289827 /nfs/dbraw/zinc/28/98/27/171289827.db2.gz RPKBCZQJALBKPG-UHFFFAOYSA-N 1 0 283.337 4.686 10 0 CJAERO CC(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021017390 171289903 /nfs/dbraw/zinc/28/99/03/171289903.db2.gz PRRAPCLLQYDAES-JTQLQIEISA-N 1 0 260.208 4.690 10 0 CJAERO CC(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021017394 171289948 /nfs/dbraw/zinc/28/99/48/171289948.db2.gz PRRAPCLLQYDAES-SNVBAGLBSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021018015 184536000 /nfs/dbraw/zinc/53/60/00/184536000.db2.gz GKMVSTYIDUMWPD-ZIAGYGMSSA-N 1 0 265.400 4.707 10 0 CJAERO CC(C)c1cccc(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000021018191 184535995 /nfs/dbraw/zinc/53/59/95/184535995.db2.gz ALFAMEKWAXBOCB-ZDUSSCGKSA-N 1 0 255.361 4.622 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(Br)cc1 ZINC000021018211 184535968 /nfs/dbraw/zinc/53/59/68/184535968.db2.gz OHVBBSGTEDKYMR-TYNCELHUSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000021018215 184536017 /nfs/dbraw/zinc/53/60/17/184536017.db2.gz OHVBBSGTEDKYMR-SLEUVZQESA-N 1 0 296.252 4.678 10 0 CJAERO CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021018884 171290184 /nfs/dbraw/zinc/29/01/84/171290184.db2.gz PRBXHKHNJNQGSS-HDMKZQKVSA-N 1 0 259.437 4.868 10 0 CJAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021018888 171290164 /nfs/dbraw/zinc/29/01/64/171290164.db2.gz PRBXHKHNJNQGSS-RLFYNMQTSA-N 1 0 259.437 4.868 10 0 CJAERO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021018893 171290309 /nfs/dbraw/zinc/29/03/09/171290309.db2.gz PRBXHKHNJNQGSS-DAYGRLMNSA-N 1 0 259.437 4.868 10 0 CJAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021018898 171290254 /nfs/dbraw/zinc/29/02/54/171290254.db2.gz PRBXHKHNJNQGSS-MPGHIAIKSA-N 1 0 259.437 4.868 10 0 CJAERO CCC(CC)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000021019281 171290125 /nfs/dbraw/zinc/29/01/25/171290125.db2.gz YIPIRGASRGYHIT-UHFFFAOYSA-N 1 0 277.355 4.577 10 0 CJAERO CCC(CC)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000021019385 171290395 /nfs/dbraw/zinc/29/03/95/171290395.db2.gz UWRZQXDUWRTIAV-UHFFFAOYSA-N 1 0 253.389 4.632 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021019460 171290174 /nfs/dbraw/zinc/29/01/74/171290174.db2.gz NVYIPBFFKVKREP-BSXFFOKHSA-N 1 0 275.436 4.546 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021019462 171290134 /nfs/dbraw/zinc/29/01/34/171290134.db2.gz NVYIPBFFKVKREP-KRXQYRFLSA-N 1 0 275.436 4.546 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021019465 171290109 /nfs/dbraw/zinc/29/01/09/171290109.db2.gz NVYIPBFFKVKREP-ADAWSYLGSA-N 1 0 275.436 4.546 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021019469 171290235 /nfs/dbraw/zinc/29/02/35/171290235.db2.gz NVYIPBFFKVKREP-BORJPKMPSA-N 1 0 275.436 4.546 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000021019659 171290371 /nfs/dbraw/zinc/29/03/71/171290371.db2.gz DKAUSXMDBAKTPP-UHFFFAOYSA-N 1 0 291.454 4.953 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1cccc2ccccc21 ZINC000021019722 171290066 /nfs/dbraw/zinc/29/00/66/171290066.db2.gz UCTRWSTXDGGDED-CQSZACIVSA-N 1 0 253.389 4.823 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1cccc2ccccc21 ZINC000021019726 171290207 /nfs/dbraw/zinc/29/02/07/171290207.db2.gz UCTRWSTXDGGDED-AWEZNQCLSA-N 1 0 253.389 4.823 10 0 CJAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000021019917 262374023 /nfs/dbraw/zinc/37/40/23/262374023.db2.gz YGCUWNUAPFBNAS-LLVKDONJSA-N 1 0 295.760 4.512 10 0 CJAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000021019921 262373854 /nfs/dbraw/zinc/37/38/54/262373854.db2.gz YGCUWNUAPFBNAS-NSHDSACASA-N 1 0 295.760 4.512 10 0 CJAERO CCCC[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000021020067 171290480 /nfs/dbraw/zinc/29/04/80/171290480.db2.gz HWQBGTZMRCRTNF-INIZCTEOSA-N 1 0 283.415 4.716 10 0 CJAERO CCCC[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000021020071 171290501 /nfs/dbraw/zinc/29/05/01/171290501.db2.gz HWQBGTZMRCRTNF-MRXNPFEDSA-N 1 0 283.415 4.716 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)cc1 ZINC000021020273 171290497 /nfs/dbraw/zinc/29/04/97/171290497.db2.gz ZAUNOYUWFPQXER-GOSISDBHSA-N 1 0 267.416 4.595 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000021022346 171290754 /nfs/dbraw/zinc/29/07/54/171290754.db2.gz SNNZVEUUZSBYQG-OAHLLOKOSA-N 1 0 255.405 4.754 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000021022352 171290724 /nfs/dbraw/zinc/29/07/24/171290724.db2.gz SNNZVEUUZSBYQG-HNNXBMFYSA-N 1 0 255.405 4.754 10 0 CJAERO CCC[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021022852 171290682 /nfs/dbraw/zinc/29/06/82/171290682.db2.gz DZEZDJYXCWKZPN-OAHLLOKOSA-N 1 0 253.389 4.554 10 0 CJAERO CCC[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021022860 171290679 /nfs/dbraw/zinc/29/06/79/171290679.db2.gz DZEZDJYXCWKZPN-HNNXBMFYSA-N 1 0 253.389 4.554 10 0 CJAERO CCCCCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000021022995 171290733 /nfs/dbraw/zinc/29/07/33/171290733.db2.gz PQZAMDBZXFYLJB-HNNXBMFYSA-N 1 0 263.425 4.705 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000021023002 171290927 /nfs/dbraw/zinc/29/09/27/171290927.db2.gz PQZAMDBZXFYLJB-OAHLLOKOSA-N 1 0 263.425 4.705 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]C2CCCCCCC2)s1 ZINC000021023072 171290943 /nfs/dbraw/zinc/29/09/43/171290943.db2.gz JLIRCAVKEPUZRH-CYBMUJFWSA-N 1 0 251.439 4.820 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]C2CCCCCCC2)s1 ZINC000021023078 171290819 /nfs/dbraw/zinc/29/08/19/171290819.db2.gz JLIRCAVKEPUZRH-ZDUSSCGKSA-N 1 0 251.439 4.820 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccccc1Br ZINC000021023517 171290907 /nfs/dbraw/zinc/29/09/07/171290907.db2.gz LGCNTTASIKBOAY-XUJVJEKNSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1Br ZINC000021023524 171290661 /nfs/dbraw/zinc/29/06/61/171290661.db2.gz LGCNTTASIKBOAY-HUBLWGQQSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1Br ZINC000021023531 171290946 /nfs/dbraw/zinc/29/09/46/171290946.db2.gz LGCNTTASIKBOAY-TYNCELHUSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1Br ZINC000021023538 171290805 /nfs/dbraw/zinc/29/08/05/171290805.db2.gz LGCNTTASIKBOAY-SLEUVZQESA-N 1 0 296.252 4.678 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000021024215 262374249 /nfs/dbraw/zinc/37/42/49/262374249.db2.gz HCFOEAPMRCWAGQ-PIGZYNQJSA-N 1 0 289.781 4.817 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000021024222 262374373 /nfs/dbraw/zinc/37/43/73/262374373.db2.gz HCFOEAPMRCWAGQ-APPDUMDISA-N 1 0 289.781 4.817 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000021024229 262374360 /nfs/dbraw/zinc/37/43/60/262374360.db2.gz HCFOEAPMRCWAGQ-DIFFPNOSSA-N 1 0 289.781 4.817 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000021024236 262374183 /nfs/dbraw/zinc/37/41/83/262374183.db2.gz HCFOEAPMRCWAGQ-GTNSWQLSSA-N 1 0 289.781 4.817 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000021024510 171290899 /nfs/dbraw/zinc/29/08/99/171290899.db2.gz DYPDIZJDELHWCV-CVEARBPZSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000021024516 171290820 /nfs/dbraw/zinc/29/08/20/171290820.db2.gz DYPDIZJDELHWCV-HOTGVXAUSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000021024525 171290755 /nfs/dbraw/zinc/29/07/55/171290755.db2.gz DYPDIZJDELHWCV-HZPDHXFCSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000021024533 171290955 /nfs/dbraw/zinc/29/09/55/171290955.db2.gz DYPDIZJDELHWCV-JKSUJKDBSA-N 1 0 283.415 4.724 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000021025181 171291134 /nfs/dbraw/zinc/29/11/34/171291134.db2.gz OHSLPJGELUPNBE-OLZOCXBDSA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000021025187 171291174 /nfs/dbraw/zinc/29/11/74/171291174.db2.gz OHSLPJGELUPNBE-STQMWFEESA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000021025194 171291153 /nfs/dbraw/zinc/29/11/53/171291153.db2.gz OHSLPJGELUPNBE-CHWSQXEVSA-N 1 0 253.817 4.815 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000021025202 171291108 /nfs/dbraw/zinc/29/11/08/171291108.db2.gz OHSLPJGELUPNBE-QWHCGFSZSA-N 1 0 253.817 4.815 10 0 CJAERO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000021025365 262374170 /nfs/dbraw/zinc/37/41/70/262374170.db2.gz PNSNYIHSASPNHM-ZDUSSCGKSA-N 1 0 289.806 4.590 10 0 CJAERO CCCCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000021025654 171291242 /nfs/dbraw/zinc/29/12/42/171291242.db2.gz OZDYWBAANSJPNW-HNNXBMFYSA-N 1 0 253.817 4.961 10 0 CJAERO CCCCCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000021025662 171291182 /nfs/dbraw/zinc/29/11/82/171291182.db2.gz OZDYWBAANSJPNW-OAHLLOKOSA-N 1 0 253.817 4.961 10 0 CJAERO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021025828 171291132 /nfs/dbraw/zinc/29/11/32/171291132.db2.gz HJSDVQMACBEDNM-CKDBGZEDSA-N 1 0 275.436 4.703 10 0 CJAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021025835 171291136 /nfs/dbraw/zinc/29/11/36/171291136.db2.gz HJSDVQMACBEDNM-ISXOHVOVSA-N 1 0 275.436 4.703 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000021025932 171291234 /nfs/dbraw/zinc/29/12/34/171291234.db2.gz ZNYMBYIZIUKFCG-JTQLQIEISA-N 1 0 259.315 4.545 10 0 CJAERO CCC(CC)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000021025938 171291391 /nfs/dbraw/zinc/29/13/91/171291391.db2.gz ZNYMBYIZIUKFCG-SNVBAGLBSA-N 1 0 259.315 4.545 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1nc2ccccc2s1 ZINC000021026042 171291183 /nfs/dbraw/zinc/29/11/83/171291183.db2.gz XZUZHHVVEIOYGB-GFCCVEGCSA-N 1 0 274.433 4.670 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1nc2ccccc2s1 ZINC000021026050 171291052 /nfs/dbraw/zinc/29/10/52/171291052.db2.gz XZUZHHVVEIOYGB-LBPRGKRZSA-N 1 0 274.433 4.670 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccc(F)cc1 ZINC000021026446 171291059 /nfs/dbraw/zinc/29/10/59/171291059.db2.gz QRVSVXIHCDVPOQ-XJKSGUPXSA-N 1 0 251.389 4.691 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccc(F)cc1 ZINC000021026452 171291238 /nfs/dbraw/zinc/29/12/38/171291238.db2.gz QRVSVXIHCDVPOQ-BBRMVZONSA-N 1 0 251.389 4.691 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccc(F)cc1 ZINC000021026464 171291212 /nfs/dbraw/zinc/29/12/12/171291212.db2.gz QRVSVXIHCDVPOQ-CZUORRHYSA-N 1 0 251.389 4.691 10 0 CJAERO CC[C@H]([NH2+][C@H](C)CCC(C)C)c1ccc(F)cc1 ZINC000021026472 171291314 /nfs/dbraw/zinc/29/13/14/171291314.db2.gz QRVSVXIHCDVPOQ-CJNGLKHVSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000021026704 171291047 /nfs/dbraw/zinc/29/10/47/171291047.db2.gz PESDPOAUGTZBCZ-QGZVFWFLSA-N 1 0 257.421 4.552 10 0 CJAERO CC(C)C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000021026711 171291161 /nfs/dbraw/zinc/29/11/61/171291161.db2.gz PESDPOAUGTZBCZ-KRWDZBQOSA-N 1 0 257.421 4.552 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021028951 171291538 /nfs/dbraw/zinc/29/15/38/171291538.db2.gz UVQIPYDYPFDUTI-CYBMUJFWSA-N 1 0 285.378 4.594 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021028959 171291531 /nfs/dbraw/zinc/29/15/31/171291531.db2.gz UVQIPYDYPFDUTI-ZDUSSCGKSA-N 1 0 285.378 4.594 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000021030942 171291499 /nfs/dbraw/zinc/29/14/99/171291499.db2.gz NSBVPVYZIRQWMT-OAHLLOKOSA-N 1 0 285.406 4.842 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000021030949 171291609 /nfs/dbraw/zinc/29/16/09/171291609.db2.gz NSBVPVYZIRQWMT-HNNXBMFYSA-N 1 0 285.406 4.842 10 0 CJAERO CC(C)C[C@@H]([NH2+]CCc1cccs1)c1ccccc1 ZINC000021031470 171292069 /nfs/dbraw/zinc/29/20/69/171292069.db2.gz SOKFZEOMWPRLSK-QGZVFWFLSA-N 1 0 273.445 4.668 10 0 CJAERO CC(C)C[C@H]([NH2+]CCc1cccs1)c1ccccc1 ZINC000021031477 171291959 /nfs/dbraw/zinc/29/19/59/171291959.db2.gz SOKFZEOMWPRLSK-KRWDZBQOSA-N 1 0 273.445 4.668 10 0 CJAERO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000021032584 171292134 /nfs/dbraw/zinc/29/21/34/171292134.db2.gz YQYSUODJSUJBJF-CYBMUJFWSA-N 1 0 293.332 4.599 10 0 CJAERO C[C@H]([NH2+]CCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000021032591 171292089 /nfs/dbraw/zinc/29/20/89/171292089.db2.gz YQYSUODJSUJBJF-ZDUSSCGKSA-N 1 0 293.332 4.599 10 0 CJAERO C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000021032872 171292085 /nfs/dbraw/zinc/29/20/85/171292085.db2.gz CNQYQSQGVWZDNA-KBPBESRZSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000021032879 171292068 /nfs/dbraw/zinc/29/20/68/171292068.db2.gz CNQYQSQGVWZDNA-KGLIPLIRSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@@H](C[NH2+][C@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000021032886 171291908 /nfs/dbraw/zinc/29/19/08/171291908.db2.gz CNQYQSQGVWZDNA-UONOGXRCSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cccc(Cl)c1 ZINC000021032890 171291912 /nfs/dbraw/zinc/29/19/12/171291912.db2.gz CNQYQSQGVWZDNA-ZIAGYGMSSA-N 1 0 273.807 4.794 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000021032910 171291840 /nfs/dbraw/zinc/29/18/40/171291840.db2.gz PHWFPUFVWVVIHY-ATLSCFEFSA-N 1 0 277.452 4.651 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000021032917 171291967 /nfs/dbraw/zinc/29/19/67/171291967.db2.gz PHWFPUFVWVVIHY-ONIAQPFYSA-N 1 0 277.452 4.651 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000021033245 171291858 /nfs/dbraw/zinc/29/18/58/171291858.db2.gz WXHMDFCMRLBEOD-IRXDYDNUSA-N 1 0 267.416 4.758 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000021033252 171292014 /nfs/dbraw/zinc/29/20/14/171292014.db2.gz WXHMDFCMRLBEOD-SJORKVTESA-N 1 0 267.416 4.758 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000021033260 171291865 /nfs/dbraw/zinc/29/18/65/171291865.db2.gz WXHMDFCMRLBEOD-DLBZAZTESA-N 1 0 267.416 4.758 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000021033267 171292124 /nfs/dbraw/zinc/29/21/24/171292124.db2.gz WXHMDFCMRLBEOD-IAGOWNOFSA-N 1 0 267.416 4.758 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(Br)cc1 ZINC000021033361 171291978 /nfs/dbraw/zinc/29/19/78/171291978.db2.gz QDQFZAJYQJQASH-CYBMUJFWSA-N 1 0 298.268 4.755 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(Br)cc1 ZINC000021033369 171291995 /nfs/dbraw/zinc/29/19/95/171291995.db2.gz QDQFZAJYQJQASH-ZDUSSCGKSA-N 1 0 298.268 4.755 10 0 CJAERO CCCCCC[NH2+][C@@H](C)c1ccccc1Br ZINC000021033553 171291965 /nfs/dbraw/zinc/29/19/65/171291965.db2.gz JJSIBIHZCKBGDC-LBPRGKRZSA-N 1 0 284.241 4.680 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1ccccc1Br ZINC000021033560 171291876 /nfs/dbraw/zinc/29/18/76/171291876.db2.gz JJSIBIHZCKBGDC-GFCCVEGCSA-N 1 0 284.241 4.680 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021033665 171292071 /nfs/dbraw/zinc/29/20/71/171292071.db2.gz UPPBFZUYPOIPEO-WOSRLPQWSA-N 1 0 263.450 4.638 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021033672 171292058 /nfs/dbraw/zinc/29/20/58/171292058.db2.gz UPPBFZUYPOIPEO-HEHGZKQESA-N 1 0 263.450 4.638 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021033679 171292313 /nfs/dbraw/zinc/29/23/13/171292313.db2.gz UPPBFZUYPOIPEO-ZENOOKHLSA-N 1 0 263.450 4.638 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021033685 171292418 /nfs/dbraw/zinc/29/24/18/171292418.db2.gz UPPBFZUYPOIPEO-XEZPLFJOSA-N 1 0 263.450 4.638 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1ccccc1C(C)(C)C ZINC000021035925 171292191 /nfs/dbraw/zinc/29/21/91/171292191.db2.gz WMFMXCIADXSDKC-CYBMUJFWSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Oc1ccccc1C(C)(C)C ZINC000021035933 171292234 /nfs/dbraw/zinc/29/22/34/171292234.db2.gz WMFMXCIADXSDKC-ZDUSSCGKSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)c(Cl)c1 ZINC000021036345 171292462 /nfs/dbraw/zinc/29/24/62/171292462.db2.gz VEXFCVXCUQIMGW-LLVKDONJSA-N 1 0 269.791 4.853 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(F)c(Cl)c1 ZINC000021036352 171292949 /nfs/dbraw/zinc/29/29/49/171292949.db2.gz VEXFCVXCUQIMGW-NSHDSACASA-N 1 0 269.791 4.853 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000021036478 171292734 /nfs/dbraw/zinc/29/27/34/171292734.db2.gz TVFLJXQVCIWZPI-LLVKDONJSA-N 1 0 274.235 4.908 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000021036484 171292934 /nfs/dbraw/zinc/29/29/34/171292934.db2.gz TVFLJXQVCIWZPI-NSHDSACASA-N 1 0 274.235 4.908 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021036657 171293099 /nfs/dbraw/zinc/29/30/99/171293099.db2.gz UDUVVFMSPYKRAT-DLBZAZTESA-N 1 0 259.437 4.690 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021036664 171292931 /nfs/dbraw/zinc/29/29/31/171292931.db2.gz UDUVVFMSPYKRAT-IRXDYDNUSA-N 1 0 259.437 4.690 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021036671 171292817 /nfs/dbraw/zinc/29/28/17/171292817.db2.gz UDUVVFMSPYKRAT-IAGOWNOFSA-N 1 0 259.437 4.690 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021036678 171293111 /nfs/dbraw/zinc/29/31/11/171293111.db2.gz UDUVVFMSPYKRAT-SJORKVTESA-N 1 0 259.437 4.690 10 0 CJAERO Cc1ccc(Sc2ccc(F)cc2[C@@H](C)[NH3+])c(C)c1 ZINC000021037164 171293000 /nfs/dbraw/zinc/29/30/00/171293000.db2.gz YKESEPVAWZKMOS-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(Sc2ccc(F)cc2[C@H](C)[NH3+])c(C)c1 ZINC000021037171 171293036 /nfs/dbraw/zinc/29/30/36/171293036.db2.gz YKESEPVAWZKMOS-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccccc1 ZINC000021037294 171292768 /nfs/dbraw/zinc/29/27/68/171292768.db2.gz MYJFSNODGYDVFH-MAUKXSAKSA-N 1 0 253.389 4.797 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1ccccc1 ZINC000021037301 171292709 /nfs/dbraw/zinc/29/27/09/171292709.db2.gz MYJFSNODGYDVFH-YJBOKZPZSA-N 1 0 253.389 4.797 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)c1ccccc1 ZINC000021037307 171292919 /nfs/dbraw/zinc/29/29/19/171292919.db2.gz MYJFSNODGYDVFH-CRAIPNDOSA-N 1 0 253.389 4.797 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1ccccc1 ZINC000021037314 171293104 /nfs/dbraw/zinc/29/31/04/171293104.db2.gz MYJFSNODGYDVFH-QAPCUYQASA-N 1 0 253.389 4.797 10 0 CJAERO CCCCC[NH2+]Cc1ccc(OCCCCC)cc1 ZINC000021037467 171293060 /nfs/dbraw/zinc/29/30/60/171293060.db2.gz ULVCXCPRHCDSQP-UHFFFAOYSA-N 1 0 263.425 4.535 10 0 CJAERO Cc1ccc(C)c([C@@H]([NH3+])c2cccc(Cl)c2Cl)c1 ZINC000021037718 171292744 /nfs/dbraw/zinc/29/27/44/171292744.db2.gz FCNZOKZRBYGTPZ-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc(C)c([C@H]([NH3+])c2cccc(Cl)c2Cl)c1 ZINC000021037725 171292870 /nfs/dbraw/zinc/29/28/70/171292870.db2.gz FCNZOKZRBYGTPZ-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO FC(F)(F)c1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000021037867 171292900 /nfs/dbraw/zinc/29/29/00/171292900.db2.gz KDSCGCKXBSYMJJ-UHFFFAOYSA-N 1 0 285.353 4.908 10 0 CJAERO CCCCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021038753 171292721 /nfs/dbraw/zinc/29/27/21/171292721.db2.gz ONKFTWIMGCQJJZ-UHFFFAOYSA-N 1 0 267.416 4.946 10 0 CJAERO Cc1cc([C@@H](C)[NH2+]CCC2=CCCCC2)c(C)s1 ZINC000021038762 171293097 /nfs/dbraw/zinc/29/30/97/171293097.db2.gz AGKZCBIMTVJUEZ-CYBMUJFWSA-N 1 0 263.450 4.906 10 0 CJAERO Cc1cc([C@H](C)[NH2+]CCC2=CCCCC2)c(C)s1 ZINC000021038769 171292732 /nfs/dbraw/zinc/29/27/32/171292732.db2.gz AGKZCBIMTVJUEZ-ZDUSSCGKSA-N 1 0 263.450 4.906 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000021038776 171293068 /nfs/dbraw/zinc/29/30/68/171293068.db2.gz WQQOWPYTBVTIDZ-CYBMUJFWSA-N 1 0 293.332 4.865 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000021038784 171292825 /nfs/dbraw/zinc/29/28/25/171292825.db2.gz WQQOWPYTBVTIDZ-ZDUSSCGKSA-N 1 0 293.332 4.865 10 0 CJAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1Cl ZINC000021039085 171292849 /nfs/dbraw/zinc/29/28/49/171292849.db2.gz IDKXVSSOXGMPFB-GFCCVEGCSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1Cl ZINC000021039092 171292671 /nfs/dbraw/zinc/29/26/71/171292671.db2.gz IDKXVSSOXGMPFB-LBPRGKRZSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(C(C)(C)C)cc1 ZINC000021039962 171293484 /nfs/dbraw/zinc/29/34/84/171293484.db2.gz GNNGRGIXYBKWMR-GFCCVEGCSA-N 1 0 287.378 4.935 10 0 CJAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1ccc(C(C)(C)C)cc1 ZINC000021039969 171293436 /nfs/dbraw/zinc/29/34/36/171293436.db2.gz GNNGRGIXYBKWMR-LBPRGKRZSA-N 1 0 287.378 4.935 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000021040450 171293490 /nfs/dbraw/zinc/29/34/90/171293490.db2.gz WYTSOKVXZMQDOO-CYBMUJFWSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000021040456 171293503 /nfs/dbraw/zinc/29/35/03/171293503.db2.gz WYTSOKVXZMQDOO-ZDUSSCGKSA-N 1 0 273.807 4.753 10 0 CJAERO CC(C)(C)C1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000021040462 171293295 /nfs/dbraw/zinc/29/32/95/171293295.db2.gz YLHDSWFSVWTDMX-UHFFFAOYSA-N 1 0 295.511 4.920 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021040916 171293466 /nfs/dbraw/zinc/29/34/66/171293466.db2.gz SQKXZLBLRPSWRN-APHBMKBZSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021040921 171293314 /nfs/dbraw/zinc/29/33/14/171293314.db2.gz SQKXZLBLRPSWRN-VBNZEHGJSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021040927 171293469 /nfs/dbraw/zinc/29/34/69/171293469.db2.gz SQKXZLBLRPSWRN-MAZHCROVSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021040932 171293522 /nfs/dbraw/zinc/29/35/22/171293522.db2.gz SQKXZLBLRPSWRN-RCBQFDQVSA-N 1 0 265.828 4.959 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000021041572 171293240 /nfs/dbraw/zinc/29/32/40/171293240.db2.gz CQCJJQQPQCPIQV-CYBMUJFWSA-N 1 0 257.421 4.649 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000021041577 171293407 /nfs/dbraw/zinc/29/34/07/171293407.db2.gz CQCJJQQPQCPIQV-ZDUSSCGKSA-N 1 0 257.421 4.649 10 0 CJAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1 ZINC000021042945 171293747 /nfs/dbraw/zinc/29/37/47/171293747.db2.gz XUXKELCGKLTWKH-KBPBESRZSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)c1ccccc1 ZINC000021042951 171293911 /nfs/dbraw/zinc/29/39/11/171293911.db2.gz XUXKELCGKLTWKH-KGLIPLIRSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@@H](C[NH2+][C@H](C)c1ccccc1Cl)c1ccccc1 ZINC000021042957 171293848 /nfs/dbraw/zinc/29/38/48/171293848.db2.gz XUXKELCGKLTWKH-UONOGXRCSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccc1Cl ZINC000021042964 171293613 /nfs/dbraw/zinc/29/36/13/171293613.db2.gz XUXKELCGKLTWKH-ZIAGYGMSSA-N 1 0 273.807 4.794 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000021042993 171293909 /nfs/dbraw/zinc/29/39/09/171293909.db2.gz CNEKIYHCAUNIHQ-ZDUSSCGKSA-N 1 0 259.418 4.722 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@H](C)c2cccs2)cc1 ZINC000021042999 171293904 /nfs/dbraw/zinc/29/39/04/171293904.db2.gz CNEKIYHCAUNIHQ-CYBMUJFWSA-N 1 0 259.418 4.722 10 0 CJAERO Cc1ccc([C@H]([NH3+])COc2ccccc2C(C)C)cc1C ZINC000021043314 171293669 /nfs/dbraw/zinc/29/36/69/171293669.db2.gz BWIPFMGWLIJROZ-GOSISDBHSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])COc2ccccc2C(C)C)cc1C ZINC000021043320 171293703 /nfs/dbraw/zinc/29/37/03/171293703.db2.gz BWIPFMGWLIJROZ-SFHVURJKSA-N 1 0 283.415 4.506 10 0 CJAERO c1csc(CC[NH2+]C2c3ccccc3-c3ccccc32)c1 ZINC000021043641 171293896 /nfs/dbraw/zinc/29/38/96/171293896.db2.gz HAFFMHCRNKTUSS-UHFFFAOYSA-N 1 0 291.419 4.650 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccccc1Cl ZINC000021043807 171293901 /nfs/dbraw/zinc/29/39/01/171293901.db2.gz KCLRAWAGCYHUBA-XUJVJEKNSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1Cl ZINC000021043813 171293757 /nfs/dbraw/zinc/29/37/57/171293757.db2.gz KCLRAWAGCYHUBA-HUBLWGQQSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1Cl ZINC000021043817 171293889 /nfs/dbraw/zinc/29/38/89/171293889.db2.gz KCLRAWAGCYHUBA-TYNCELHUSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1Cl ZINC000021043823 171293845 /nfs/dbraw/zinc/29/38/45/171293845.db2.gz KCLRAWAGCYHUBA-SLEUVZQESA-N 1 0 251.801 4.569 10 0 CJAERO CCCCCC[NH2+]Cc1ccc(OCCCC)cc1 ZINC000021044609 171294126 /nfs/dbraw/zinc/29/41/26/171294126.db2.gz RYHQUTRAPRQMSK-UHFFFAOYSA-N 1 0 263.425 4.535 10 0 CJAERO CC(C)c1ccc(Oc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000021044693 171294273 /nfs/dbraw/zinc/29/42/73/171294273.db2.gz FZYVJZMWOYHWIT-CYBMUJFWSA-N 1 0 255.361 4.622 10 0 CJAERO CC(C)c1ccc(Oc2ccccc2[C@H](C)[NH3+])cc1 ZINC000021044699 171294000 /nfs/dbraw/zinc/29/40/00/171294000.db2.gz FZYVJZMWOYHWIT-ZDUSSCGKSA-N 1 0 255.361 4.622 10 0 CJAERO CC(C)(C)c1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000021044967 171294041 /nfs/dbraw/zinc/29/40/41/171294041.db2.gz RYXDGHNCRHQPGL-UHFFFAOYSA-N 1 0 271.448 4.964 10 0 CJAERO CCC[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000021044973 171294102 /nfs/dbraw/zinc/29/41/02/171294102.db2.gz OVUHZQHTRWMQPF-QGZVFWFLSA-N 1 0 273.807 4.971 10 0 CJAERO CCC[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000021044978 171294098 /nfs/dbraw/zinc/29/40/98/171294098.db2.gz OVUHZQHTRWMQPF-KRWDZBQOSA-N 1 0 273.807 4.971 10 0 CJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000021045285 171294256 /nfs/dbraw/zinc/29/42/56/171294256.db2.gz AHKSDFWZEGSBGO-LSDHHAIUSA-N 1 0 263.425 4.561 10 0 CJAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000021045291 171294146 /nfs/dbraw/zinc/29/41/46/171294146.db2.gz AHKSDFWZEGSBGO-GJZGRUSLSA-N 1 0 263.425 4.561 10 0 CJAERO COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000021045297 171294233 /nfs/dbraw/zinc/29/42/33/171294233.db2.gz AHKSDFWZEGSBGO-HUUCEWRRSA-N 1 0 263.425 4.561 10 0 CJAERO COc1ccc([C@H](C)[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000021045301 171294181 /nfs/dbraw/zinc/29/41/81/171294181.db2.gz AHKSDFWZEGSBGO-CABCVRRESA-N 1 0 263.425 4.561 10 0 CJAERO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(F)c(F)c1 ZINC000021045627 171294196 /nfs/dbraw/zinc/29/41/96/171294196.db2.gz GXNXMKMOUKCDKD-GFCCVEGCSA-N 1 0 265.347 4.506 10 0 CJAERO C[C@H]([NH2+]CCC1=CCCCC1)c1ccc(F)c(F)c1 ZINC000021045633 171294065 /nfs/dbraw/zinc/29/40/65/171294065.db2.gz GXNXMKMOUKCDKD-LBPRGKRZSA-N 1 0 265.347 4.506 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000021046044 171294112 /nfs/dbraw/zinc/29/41/12/171294112.db2.gz AVBWHNPUYURJJT-RDTXWAMCSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000021046050 171294268 /nfs/dbraw/zinc/29/42/68/171294268.db2.gz AVBWHNPUYURJJT-KBXCAEBGSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2cccc(C)c2)cc1 ZINC000021046056 171294225 /nfs/dbraw/zinc/29/42/25/171294225.db2.gz AVBWHNPUYURJJT-KDOFPFPSSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2cccc(C)c2)cc1 ZINC000021046061 171294219 /nfs/dbraw/zinc/29/42/19/171294219.db2.gz AVBWHNPUYURJJT-KSSFIOAISA-N 1 0 253.389 4.557 10 0 CJAERO CCCCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000021046175 171294002 /nfs/dbraw/zinc/29/40/02/171294002.db2.gz DTEZFLWTPQPITF-NSHDSACASA-N 1 0 259.315 4.546 10 0 CJAERO CCCCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000021046181 171294010 /nfs/dbraw/zinc/29/40/10/171294010.db2.gz DTEZFLWTPQPITF-LLVKDONJSA-N 1 0 259.315 4.546 10 0 CJAERO CC[C@@H]([NH2+]C1CCCCC1)c1cccc(Cl)c1 ZINC000021046694 171294656 /nfs/dbraw/zinc/29/46/56/171294656.db2.gz FCJQQAHFYZLART-OAHLLOKOSA-N 1 0 251.801 4.713 10 0 CJAERO CC[C@H]([NH2+]C1CCCCC1)c1cccc(Cl)c1 ZINC000021046700 171294602 /nfs/dbraw/zinc/29/46/02/171294602.db2.gz FCJQQAHFYZLART-HNNXBMFYSA-N 1 0 251.801 4.713 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1OCc1ccc(C(C)(C)C)cc1 ZINC000021047110 171294583 /nfs/dbraw/zinc/29/45/83/171294583.db2.gz MCXUWHIULWTMPM-CQSZACIVSA-N 1 0 283.415 4.583 10 0 CJAERO C[C@H]([NH3+])c1ccccc1OCc1ccc(C(C)(C)C)cc1 ZINC000021047115 171294343 /nfs/dbraw/zinc/29/43/43/171294343.db2.gz MCXUWHIULWTMPM-AWEZNQCLSA-N 1 0 283.415 4.583 10 0 CJAERO Cc1ccc(Sc2cccc(F)c2[C@@H](C)[NH3+])c(C)c1 ZINC000021047647 171294466 /nfs/dbraw/zinc/29/44/66/171294466.db2.gz JJIFLHQSTLBMKL-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(Sc2cccc(F)c2[C@H](C)[NH3+])c(C)c1 ZINC000021047653 171294314 /nfs/dbraw/zinc/29/43/14/171294314.db2.gz JJIFLHQSTLBMKL-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021048000 171294389 /nfs/dbraw/zinc/29/43/89/171294389.db2.gz NDNOHTLBSOKDPX-LSDHHAIUSA-N 1 0 263.425 4.561 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021048007 171294603 /nfs/dbraw/zinc/29/46/03/171294603.db2.gz NDNOHTLBSOKDPX-GJZGRUSLSA-N 1 0 263.425 4.561 10 0 CJAERO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021048013 171294522 /nfs/dbraw/zinc/29/45/22/171294522.db2.gz NDNOHTLBSOKDPX-HUUCEWRRSA-N 1 0 263.425 4.561 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021048018 171294398 /nfs/dbraw/zinc/29/43/98/171294398.db2.gz NDNOHTLBSOKDPX-CABCVRRESA-N 1 0 263.425 4.561 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000021048145 171294356 /nfs/dbraw/zinc/29/43/56/171294356.db2.gz DKXBWWHDCPQAMD-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000021048150 171294477 /nfs/dbraw/zinc/29/44/77/171294477.db2.gz DKXBWWHDCPQAMD-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO Nc1cccc(C[NH+](C2CCCCC2)C2CCCCC2)c1 ZINC000021048837 171294988 /nfs/dbraw/zinc/29/49/88/171294988.db2.gz PCMHINHSHVYJSN-UHFFFAOYSA-N 1 0 286.463 4.736 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000021049033 171294843 /nfs/dbraw/zinc/29/48/43/171294843.db2.gz YUWKDPACUYTFOE-LTCOOKNTSA-N 1 0 275.436 4.561 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000021049040 171295008 /nfs/dbraw/zinc/29/50/08/171295008.db2.gz YUWKDPACUYTFOE-IDCJVQTKSA-N 1 0 275.436 4.561 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000021049046 171294889 /nfs/dbraw/zinc/29/48/89/171294889.db2.gz YUWKDPACUYTFOE-NONVJHHQSA-N 1 0 275.436 4.561 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000021049051 171294898 /nfs/dbraw/zinc/29/48/98/171294898.db2.gz YUWKDPACUYTFOE-BODMPHMZSA-N 1 0 275.436 4.561 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)c(C)c1 ZINC000021049234 171294869 /nfs/dbraw/zinc/29/48/69/171294869.db2.gz WGBMSHQSKUNZJS-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)c(C)c1 ZINC000021049240 171294901 /nfs/dbraw/zinc/29/49/01/171294901.db2.gz WGBMSHQSKUNZJS-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(F)cc2)c(C)c1 ZINC000021050526 171294789 /nfs/dbraw/zinc/29/47/89/171294789.db2.gz MTLOWIXAFJCFPO-OAHLLOKOSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2)c(C)c1 ZINC000021050532 171294881 /nfs/dbraw/zinc/29/48/81/171294881.db2.gz MTLOWIXAFJCFPO-HNNXBMFYSA-N 1 0 271.379 4.602 10 0 CJAERO CC(C)c1cccc(Oc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000021050639 171294954 /nfs/dbraw/zinc/29/49/54/171294954.db2.gz IXBYOAYSSHHXQU-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1cccc(Oc2ccc([C@H](C)[NH3+])cc2F)c1 ZINC000021050645 171295001 /nfs/dbraw/zinc/29/50/01/171295001.db2.gz IXBYOAYSSHHXQU-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000021051206 171295145 /nfs/dbraw/zinc/29/51/45/171295145.db2.gz JTGRVRURBFWQSV-DLBZAZTESA-N 1 0 275.436 4.547 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000021051212 171295138 /nfs/dbraw/zinc/29/51/38/171295138.db2.gz JTGRVRURBFWQSV-IRXDYDNUSA-N 1 0 275.436 4.547 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021051219 171295097 /nfs/dbraw/zinc/29/50/97/171295097.db2.gz JTGRVRURBFWQSV-IAGOWNOFSA-N 1 0 275.436 4.547 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000021051224 171295038 /nfs/dbraw/zinc/29/50/38/171295038.db2.gz JTGRVRURBFWQSV-SJORKVTESA-N 1 0 275.436 4.547 10 0 CJAERO CCCC1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000021051391 171295160 /nfs/dbraw/zinc/29/51/60/171295160.db2.gz LWTRMPYZRMTITF-UHFFFAOYSA-N 1 0 297.389 4.737 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccc(F)cc1 ZINC000021051465 171295222 /nfs/dbraw/zinc/29/52/22/171295222.db2.gz CLTSKDFJCOEFNL-KBXCAEBGSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1ccc(F)cc1 ZINC000021051472 171295181 /nfs/dbraw/zinc/29/51/81/171295181.db2.gz CLTSKDFJCOEFNL-KSSFIOAISA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)c1ccc(F)cc1 ZINC000021051478 171295062 /nfs/dbraw/zinc/29/50/62/171295062.db2.gz CLTSKDFJCOEFNL-RDTXWAMCSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1ccc(F)cc1 ZINC000021051485 171295135 /nfs/dbraw/zinc/29/51/35/171295135.db2.gz CLTSKDFJCOEFNL-KDOFPFPSSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@@H]([NH2+]C1CCCCCCC1)c1ccc(OC)cc1 ZINC000021051754 171295208 /nfs/dbraw/zinc/29/52/08/171295208.db2.gz RVPKCEVEYLWLIS-GOSISDBHSA-N 1 0 275.436 4.849 10 0 CJAERO CC[C@H]([NH2+]C1CCCCCCC1)c1ccc(OC)cc1 ZINC000021051761 171295256 /nfs/dbraw/zinc/29/52/56/171295256.db2.gz RVPKCEVEYLWLIS-SFHVURJKSA-N 1 0 275.436 4.849 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000021052140 171295233 /nfs/dbraw/zinc/29/52/33/171295233.db2.gz INTIMGHUSGRLMK-DSIITGHMSA-N 1 0 251.458 4.616 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000021052147 171295093 /nfs/dbraw/zinc/29/50/93/171295093.db2.gz INTIMGHUSGRLMK-VNPUNGKLSA-N 1 0 251.458 4.616 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000021052156 171295132 /nfs/dbraw/zinc/29/51/32/171295132.db2.gz INTIMGHUSGRLMK-GLUHHBOGSA-N 1 0 251.458 4.616 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000021052162 171295213 /nfs/dbraw/zinc/29/52/13/171295213.db2.gz INTIMGHUSGRLMK-AEFXTWNNSA-N 1 0 251.458 4.616 10 0 CJAERO CCOc1ccc(C[NH2+]CCCCCCC(C)C)cc1 ZINC000021052382 171295187 /nfs/dbraw/zinc/29/51/87/171295187.db2.gz FBIURTDCMBMLJN-UHFFFAOYSA-N 1 0 277.452 4.781 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000021052540 171295235 /nfs/dbraw/zinc/29/52/35/171295235.db2.gz XDWJKFHIGRSREE-YGRLFVJLSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000021052545 171295253 /nfs/dbraw/zinc/29/52/53/171295253.db2.gz XDWJKFHIGRSREE-HZMBPMFUSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000021052552 171295276 /nfs/dbraw/zinc/29/52/76/171295276.db2.gz XDWJKFHIGRSREE-QMTHXVAHSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000021052558 171295210 /nfs/dbraw/zinc/29/52/10/171295210.db2.gz XDWJKFHIGRSREE-IINYFYTJSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]([NH2+]C1CCCC1)c1cc(Cl)ccc1Cl ZINC000021052638 171295280 /nfs/dbraw/zinc/29/52/80/171295280.db2.gz XKJPWCPZCFEEHJ-SECBINFHSA-N 1 0 258.192 4.587 10 0 CJAERO C[C@H]([NH2+]C1CCCC1)c1cc(Cl)ccc1Cl ZINC000021052645 171295192 /nfs/dbraw/zinc/29/51/92/171295192.db2.gz XKJPWCPZCFEEHJ-VIFPVBQESA-N 1 0 258.192 4.587 10 0 CJAERO CCCOc1ccc(C[NH2+][C@@H](C)CCCC(C)C)cc1 ZINC000021054129 171295605 /nfs/dbraw/zinc/29/56/05/171295605.db2.gz XBFPFCDYTAIYBT-INIZCTEOSA-N 1 0 277.452 4.780 10 0 CJAERO CCCOc1ccc(C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000021054136 171295712 /nfs/dbraw/zinc/29/57/12/171295712.db2.gz XBFPFCDYTAIYBT-MRXNPFEDSA-N 1 0 277.452 4.780 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCCC1)c1cc(F)ccc1F ZINC000021054849 171295708 /nfs/dbraw/zinc/29/57/08/171295708.db2.gz OPLYEFOSZOKUDE-GFCCVEGCSA-N 1 0 267.363 4.728 10 0 CJAERO C[C@H]([NH2+]C1CCCCCCC1)c1cc(F)ccc1F ZINC000021054853 171295410 /nfs/dbraw/zinc/29/54/10/171295410.db2.gz OPLYEFOSZOKUDE-LBPRGKRZSA-N 1 0 267.363 4.728 10 0 CJAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054926 171295690 /nfs/dbraw/zinc/29/56/90/171295690.db2.gz KMGQOEIPSAOXGK-BHYGNILZSA-N 1 0 277.452 4.795 10 0 CJAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054930 171295341 /nfs/dbraw/zinc/29/53/41/171295341.db2.gz KMGQOEIPSAOXGK-HYVNUMGLSA-N 1 0 277.452 4.795 10 0 CJAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054935 171295443 /nfs/dbraw/zinc/29/54/43/171295443.db2.gz KMGQOEIPSAOXGK-XIRDDKMYSA-N 1 0 277.452 4.795 10 0 CJAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054938 171295492 /nfs/dbraw/zinc/29/54/92/171295492.db2.gz KMGQOEIPSAOXGK-PVAVHDDUSA-N 1 0 277.452 4.795 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021054977 171295353 /nfs/dbraw/zinc/29/53/53/171295353.db2.gz JMWMNZMYTFNOPN-LLVKDONJSA-N 1 0 293.769 4.908 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000021054981 171295645 /nfs/dbraw/zinc/29/56/45/171295645.db2.gz JMWMNZMYTFNOPN-NSHDSACASA-N 1 0 293.769 4.908 10 0 CJAERO CCc1ccc([C@@H]([NH2+]CC(CC)CC)C(C)C)cc1 ZINC000021055079 171295547 /nfs/dbraw/zinc/29/55/47/171295547.db2.gz UVFDWFJBTXARAJ-SFHVURJKSA-N 1 0 261.453 4.972 10 0 CJAERO CCc1ccc([C@H]([NH2+]CC(CC)CC)C(C)C)cc1 ZINC000021055083 171295362 /nfs/dbraw/zinc/29/53/62/171295362.db2.gz UVFDWFJBTXARAJ-GOSISDBHSA-N 1 0 261.453 4.972 10 0 CJAERO c1csc(CC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000021055318 171295525 /nfs/dbraw/zinc/29/55/25/171295525.db2.gz LNDNRIOGAWVERR-UHFFFAOYSA-N 1 0 293.435 4.670 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C)CC2)cc1C ZINC000021055521 171295589 /nfs/dbraw/zinc/29/55/89/171295589.db2.gz SOYVGGYHBOGMLA-PDOTXMHQSA-N 1 0 259.437 4.841 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C)CC2)cc1C ZINC000021055525 171295699 /nfs/dbraw/zinc/29/56/99/171295699.db2.gz SOYVGGYHBOGMLA-PTXATLKXSA-N 1 0 259.437 4.841 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OCCC)cc1 ZINC000021055866 171295604 /nfs/dbraw/zinc/29/56/04/171295604.db2.gz YAAHTTLTFKEJCC-MRXNPFEDSA-N 1 0 277.452 4.781 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OCCC)cc1 ZINC000021055869 171295423 /nfs/dbraw/zinc/29/54/23/171295423.db2.gz YAAHTTLTFKEJCC-INIZCTEOSA-N 1 0 277.452 4.781 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(C)c(C)c2)C1 ZINC000021055945 171295632 /nfs/dbraw/zinc/29/56/32/171295632.db2.gz PCFSPILSIIGQLJ-NXHRZFHOSA-N 1 0 289.463 4.614 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(C)c(C)c2)C1 ZINC000021055953 171295771 /nfs/dbraw/zinc/29/57/71/171295771.db2.gz PCFSPILSIIGQLJ-NJAFHUGGSA-N 1 0 289.463 4.614 10 0 CJAERO c1cncc(C[NH2+]C2CCCCCCCCCCC2)c1 ZINC000021056207 171296117 /nfs/dbraw/zinc/29/61/17/171296117.db2.gz KAKKEWPTJTUACI-UHFFFAOYSA-N 1 0 274.452 4.845 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000021056390 171295930 /nfs/dbraw/zinc/29/59/30/171295930.db2.gz JAKUJDVDAOCRFL-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000021056394 171295989 /nfs/dbraw/zinc/29/59/89/171295989.db2.gz JAKUJDVDAOCRFL-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc(OC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1C ZINC000021056844 171295872 /nfs/dbraw/zinc/29/58/72/171295872.db2.gz VJFQZBVZSSGLFB-IBGZPJMESA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1C ZINC000021056848 171295943 /nfs/dbraw/zinc/29/59/43/171295943.db2.gz VJFQZBVZSSGLFB-LJQANCHMSA-N 1 0 283.415 4.506 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc2ccccc2c1 ZINC000021057253 171295865 /nfs/dbraw/zinc/29/58/65/171295865.db2.gz VRLXOIAEIHFXHJ-CYBMUJFWSA-N 1 0 263.340 4.652 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Oc1ccc2ccccc2c1 ZINC000021057257 171296004 /nfs/dbraw/zinc/29/60/04/171296004.db2.gz VRLXOIAEIHFXHJ-ZDUSSCGKSA-N 1 0 263.340 4.652 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000021057826 171296466 /nfs/dbraw/zinc/29/64/66/171296466.db2.gz VFUUGRYEKYYZJU-LLVKDONJSA-N 1 0 259.846 4.706 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000021057830 171296288 /nfs/dbraw/zinc/29/62/88/171296288.db2.gz VFUUGRYEKYYZJU-NSHDSACASA-N 1 0 259.846 4.706 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CC(C)(C)C1 ZINC000021058112 171296584 /nfs/dbraw/zinc/29/65/84/171296584.db2.gz RUTRGSGMVZXIPX-TZMCWYRMSA-N 1 0 265.828 4.644 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CC(C)(C)C1 ZINC000021058116 171296228 /nfs/dbraw/zinc/29/62/28/171296228.db2.gz RUTRGSGMVZXIPX-GXTWGEPZSA-N 1 0 265.828 4.644 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CC(C)(C)C1 ZINC000021058120 171296291 /nfs/dbraw/zinc/29/62/91/171296291.db2.gz RUTRGSGMVZXIPX-OCCSQVGLSA-N 1 0 265.828 4.644 10 0 CJAERO C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CC(C)(C)C1 ZINC000021058124 171296409 /nfs/dbraw/zinc/29/64/09/171296409.db2.gz RUTRGSGMVZXIPX-JSGCOSHPSA-N 1 0 265.828 4.644 10 0 CJAERO Cc1cccc(C[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000021058229 171296499 /nfs/dbraw/zinc/29/64/99/171296499.db2.gz NIOIFXJJYZINNJ-MRXNPFEDSA-N 1 0 275.395 4.999 10 0 CJAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000021058233 171296564 /nfs/dbraw/zinc/29/65/64/171296564.db2.gz NIOIFXJJYZINNJ-INIZCTEOSA-N 1 0 275.395 4.999 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000021058303 171296557 /nfs/dbraw/zinc/29/65/57/171296557.db2.gz REWRSNNOMVGDEJ-CYBMUJFWSA-N 1 0 253.817 4.644 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000021058307 171296362 /nfs/dbraw/zinc/29/63/62/171296362.db2.gz REWRSNNOMVGDEJ-ZDUSSCGKSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccccc2C)cc1 ZINC000021058679 171296326 /nfs/dbraw/zinc/29/63/26/171296326.db2.gz TUTKDYAIGOGYBE-FZKQIMNGSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2ccccc2C)cc1 ZINC000021058683 171296217 /nfs/dbraw/zinc/29/62/17/171296217.db2.gz TUTKDYAIGOGYBE-SCLBCKFNSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2ccccc2C)cc1 ZINC000021058687 171296403 /nfs/dbraw/zinc/29/64/03/171296403.db2.gz TUTKDYAIGOGYBE-ACJLOTCBSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2ccccc2C)cc1 ZINC000021058691 171296367 /nfs/dbraw/zinc/29/63/67/171296367.db2.gz TUTKDYAIGOGYBE-UGSOOPFHSA-N 1 0 253.389 4.557 10 0 CJAERO Cc1ccc([C@H]([NH3+])COc2ccc(C(C)C)cc2)cc1C ZINC000021058707 171296347 /nfs/dbraw/zinc/29/63/47/171296347.db2.gz SUBNSBQDDLCIOJ-LJQANCHMSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C(C)C)cc2)cc1C ZINC000021058708 171296351 /nfs/dbraw/zinc/29/63/51/171296351.db2.gz SUBNSBQDDLCIOJ-IBGZPJMESA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000021059071 171296536 /nfs/dbraw/zinc/29/65/36/171296536.db2.gz NRKGHINCAIAENM-CVEARBPZSA-N 1 0 279.427 4.896 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000021059075 171296429 /nfs/dbraw/zinc/29/64/29/171296429.db2.gz NRKGHINCAIAENM-HOTGVXAUSA-N 1 0 279.427 4.896 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000021059079 171296340 /nfs/dbraw/zinc/29/63/40/171296340.db2.gz NRKGHINCAIAENM-HZPDHXFCSA-N 1 0 279.427 4.896 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000021059082 171296385 /nfs/dbraw/zinc/29/63/85/171296385.db2.gz NRKGHINCAIAENM-JKSUJKDBSA-N 1 0 279.427 4.896 10 0 CJAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021059417 171296772 /nfs/dbraw/zinc/29/67/72/171296772.db2.gz FGBJJHDHRRWOBT-ZJUUUORDSA-N 1 0 260.208 4.689 10 0 CJAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021059422 171296695 /nfs/dbraw/zinc/29/66/95/171296695.db2.gz FGBJJHDHRRWOBT-UWVGGRQHSA-N 1 0 260.208 4.689 10 0 CJAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021059426 171296761 /nfs/dbraw/zinc/29/67/61/171296761.db2.gz FGBJJHDHRRWOBT-NXEZZACHSA-N 1 0 260.208 4.689 10 0 CJAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021059429 171296833 /nfs/dbraw/zinc/29/68/33/171296833.db2.gz FGBJJHDHRRWOBT-VHSXEESVSA-N 1 0 260.208 4.689 10 0 CJAERO CC[C@@H]([NH2+]CCCc1ccccc1)c1ccc(C)cc1 ZINC000021059616 171296671 /nfs/dbraw/zinc/29/66/71/171296671.db2.gz DCIYPTDLWZCRNG-LJQANCHMSA-N 1 0 267.416 4.669 10 0 CJAERO CC[C@H]([NH2+]CCCc1ccccc1)c1ccc(C)cc1 ZINC000021059620 171297016 /nfs/dbraw/zinc/29/70/16/171297016.db2.gz DCIYPTDLWZCRNG-IBGZPJMESA-N 1 0 267.416 4.669 10 0 CJAERO C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000021059675 171296979 /nfs/dbraw/zinc/29/69/79/171296979.db2.gz AQMACWQAHPWCSS-ZDUSSCGKSA-N 1 0 293.332 4.599 10 0 CJAERO C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000021059679 171296766 /nfs/dbraw/zinc/29/67/66/171296766.db2.gz AQMACWQAHPWCSS-CYBMUJFWSA-N 1 0 293.332 4.599 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000021059741 171296760 /nfs/dbraw/zinc/29/67/60/171296760.db2.gz DEVSLNBKPDDNKL-OAHLLOKOSA-N 1 0 261.453 4.898 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000021059745 171296741 /nfs/dbraw/zinc/29/67/41/171296741.db2.gz DEVSLNBKPDDNKL-HNNXBMFYSA-N 1 0 261.453 4.898 10 0 CJAERO CC(C)c1ccccc1O[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021059995 171296817 /nfs/dbraw/zinc/29/68/17/171296817.db2.gz XXFRXTDDEUEMLO-QILLFSRXSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1ccccc1O[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021059999 171296694 /nfs/dbraw/zinc/29/66/94/171296694.db2.gz XXFRXTDDEUEMLO-ZVZYQTTQSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1ccccc1O[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021060002 171296844 /nfs/dbraw/zinc/29/68/44/171296844.db2.gz XXFRXTDDEUEMLO-UWWQBHOKSA-N 1 0 289.463 4.731 10 0 CJAERO CC(C)c1ccccc1O[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021060006 171296666 /nfs/dbraw/zinc/29/66/66/171296666.db2.gz XXFRXTDDEUEMLO-HFTRVMKXSA-N 1 0 289.463 4.731 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000021060261 171296929 /nfs/dbraw/zinc/29/69/29/171296929.db2.gz ZKJNRUWNOYQTAP-XUJVJEKNSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000021060264 171296945 /nfs/dbraw/zinc/29/69/45/171296945.db2.gz ZKJNRUWNOYQTAP-HUBLWGQQSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000021060268 171296716 /nfs/dbraw/zinc/29/67/16/171296716.db2.gz ZKJNRUWNOYQTAP-TYNCELHUSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000021060271 171296994 /nfs/dbraw/zinc/29/69/94/171296994.db2.gz ZKJNRUWNOYQTAP-SLEUVZQESA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2Cl)c(F)c1 ZINC000021060504 171296890 /nfs/dbraw/zinc/29/68/90/171296890.db2.gz KZEKNQYZSGPLSB-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2Cl)c(F)c1 ZINC000021060507 171296664 /nfs/dbraw/zinc/29/66/64/171296664.db2.gz KZEKNQYZSGPLSB-VIFPVBQESA-N 1 0 281.783 4.650 10 0 CJAERO COc1ccc2cc([C@@H](C)[NH2+]C3CCCCC3)ccc2c1 ZINC000021060527 171296856 /nfs/dbraw/zinc/29/68/56/171296856.db2.gz SAIPHCVDDYXQJF-CQSZACIVSA-N 1 0 283.415 4.832 10 0 CJAERO COc1ccc2cc([C@H](C)[NH2+]C3CCCCC3)ccc2c1 ZINC000021060531 171296734 /nfs/dbraw/zinc/29/67/34/171296734.db2.gz SAIPHCVDDYXQJF-AWEZNQCLSA-N 1 0 283.415 4.832 10 0 CJAERO CCCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021061152 171297298 /nfs/dbraw/zinc/29/72/98/171297298.db2.gz VXBVZTYJTDWKMF-JTQLQIEISA-N 1 0 260.208 4.834 10 0 CJAERO CCCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021061156 171297381 /nfs/dbraw/zinc/29/73/81/171297381.db2.gz VXBVZTYJTDWKMF-SNVBAGLBSA-N 1 0 260.208 4.834 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C)CC2)c(C)c1 ZINC000021061165 171297105 /nfs/dbraw/zinc/29/71/05/171297105.db2.gz XYBSLEYLHZZNHI-PDOTXMHQSA-N 1 0 259.437 4.841 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C)CC2)c(C)c1 ZINC000021061168 171297171 /nfs/dbraw/zinc/29/71/71/171297171.db2.gz XYBSLEYLHZZNHI-PTXATLKXSA-N 1 0 259.437 4.841 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Sc1ccc(Cl)cc1 ZINC000021061229 171297332 /nfs/dbraw/zinc/29/73/32/171297332.db2.gz UIFSTIWJHWMQLI-SNVBAGLBSA-N 1 0 263.793 4.511 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Sc1ccc(Cl)cc1 ZINC000021061232 171297301 /nfs/dbraw/zinc/29/73/01/171297301.db2.gz UIFSTIWJHWMQLI-JTQLQIEISA-N 1 0 263.793 4.511 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021061473 171297180 /nfs/dbraw/zinc/29/71/80/171297180.db2.gz SKZFLMPLWVLILU-CZUORRHYSA-N 1 0 279.855 4.687 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021061476 171297173 /nfs/dbraw/zinc/29/71/73/171297173.db2.gz SKZFLMPLWVLILU-XJKSGUPXSA-N 1 0 279.855 4.687 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021061480 171297354 /nfs/dbraw/zinc/29/73/54/171297354.db2.gz SKZFLMPLWVLILU-CJNGLKHVSA-N 1 0 279.855 4.687 10 0 CJAERO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021061485 171297128 /nfs/dbraw/zinc/29/71/28/171297128.db2.gz SKZFLMPLWVLILU-BBRMVZONSA-N 1 0 279.855 4.687 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(Br)cc1 ZINC000021061503 171297063 /nfs/dbraw/zinc/29/70/63/171297063.db2.gz AURUEIWVSJBVDY-AVERBVTBSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(Br)cc1 ZINC000021061506 171297075 /nfs/dbraw/zinc/29/70/75/171297075.db2.gz AURUEIWVSJBVDY-MQYJIDSJSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2cccc3ccccc32)c(F)c1 ZINC000021061954 171297267 /nfs/dbraw/zinc/29/72/67/171297267.db2.gz MSTRUFDRLCQMCN-GFCCVEGCSA-N 1 0 281.330 4.791 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2cccc3ccccc32)c(F)c1 ZINC000021061958 171297076 /nfs/dbraw/zinc/29/70/76/171297076.db2.gz MSTRUFDRLCQMCN-LBPRGKRZSA-N 1 0 281.330 4.791 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc2ccccc2c1 ZINC000021062171 171297299 /nfs/dbraw/zinc/29/72/99/171297299.db2.gz YHTPVEQBOLFNPX-CQSZACIVSA-N 1 0 253.389 4.823 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1ccc2ccccc2c1 ZINC000021062175 171297376 /nfs/dbraw/zinc/29/73/76/171297376.db2.gz YHTPVEQBOLFNPX-AWEZNQCLSA-N 1 0 253.389 4.823 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)c(C)c1 ZINC000021062271 171297160 /nfs/dbraw/zinc/29/71/60/171297160.db2.gz JTEJBRINXJAMAJ-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)c(C)c1 ZINC000021062275 171297335 /nfs/dbraw/zinc/29/73/35/171297335.db2.gz JTEJBRINXJAMAJ-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000021062410 171297496 /nfs/dbraw/zinc/29/74/96/171297496.db2.gz RYNPEXXGQHKPFK-MSOLQXFVSA-N 1 0 273.464 4.814 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000021062414 171297477 /nfs/dbraw/zinc/29/74/77/171297477.db2.gz RYNPEXXGQHKPFK-ROUUACIJSA-N 1 0 273.464 4.814 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000021062418 171297499 /nfs/dbraw/zinc/29/74/99/171297499.db2.gz RYNPEXXGQHKPFK-QZTJIDSGSA-N 1 0 273.464 4.814 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000021062421 171297543 /nfs/dbraw/zinc/29/75/43/171297543.db2.gz RYNPEXXGQHKPFK-ZWKOTPCHSA-N 1 0 273.464 4.814 10 0 CJAERO CC(C)c1cccc(Oc2ccc(F)cc2[C@@H](C)[NH3+])c1 ZINC000021062618 171297539 /nfs/dbraw/zinc/29/75/39/171297539.db2.gz LMPSRDWNSJSWOI-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1cccc(Oc2ccc(F)cc2[C@H](C)[NH3+])c1 ZINC000021062622 171297528 /nfs/dbraw/zinc/29/75/28/171297528.db2.gz LMPSRDWNSJSWOI-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO CCCCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000021499564 171304610 /nfs/dbraw/zinc/30/46/10/171304610.db2.gz DJIVYHDJSGDBGB-UHFFFAOYSA-N 1 0 269.388 4.759 10 0 CJAERO CC(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021499657 171304306 /nfs/dbraw/zinc/30/43/06/171304306.db2.gz TUROQAGEQRBATI-JTQLQIEISA-N 1 0 260.208 4.690 10 0 CJAERO CC(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021499659 171304352 /nfs/dbraw/zinc/30/43/52/171304352.db2.gz TUROQAGEQRBATI-SNVBAGLBSA-N 1 0 260.208 4.690 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000021499706 171304343 /nfs/dbraw/zinc/30/43/43/171304343.db2.gz OINKVBVDOCFTRL-ODIFPOPNSA-N 1 0 259.437 4.942 10 0 CJAERO C[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000021499708 171304555 /nfs/dbraw/zinc/30/45/55/171304555.db2.gz OINKVBVDOCFTRL-OOHWJJMZSA-N 1 0 259.437 4.942 10 0 CJAERO CC[C@@H]([NH2+]C1CCCCCCC1)c1ccc(O)cc1 ZINC000021500047 171304809 /nfs/dbraw/zinc/30/48/09/171304809.db2.gz DJKBTNQBIAEXSU-QGZVFWFLSA-N 1 0 261.409 4.546 10 0 CJAERO CC[C@H]([NH2+]C1CCCCCCC1)c1ccc(O)cc1 ZINC000021500049 171305182 /nfs/dbraw/zinc/30/51/82/171305182.db2.gz DJKBTNQBIAEXSU-KRWDZBQOSA-N 1 0 261.409 4.546 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000021500258 171304788 /nfs/dbraw/zinc/30/47/88/171304788.db2.gz YPPRKBIFAPNTDN-MSOLQXFVSA-N 1 0 295.511 4.920 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000021500260 171305040 /nfs/dbraw/zinc/30/50/40/171305040.db2.gz YPPRKBIFAPNTDN-ROUUACIJSA-N 1 0 295.511 4.920 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000021500262 171304965 /nfs/dbraw/zinc/30/49/65/171304965.db2.gz YPPRKBIFAPNTDN-QZTJIDSGSA-N 1 0 295.511 4.920 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000021500264 171304842 /nfs/dbraw/zinc/30/48/42/171304842.db2.gz YPPRKBIFAPNTDN-ZWKOTPCHSA-N 1 0 295.511 4.920 10 0 CJAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021500498 171304843 /nfs/dbraw/zinc/30/48/43/171304843.db2.gz QGDQIZVHFDBTOY-RYQLBKOJSA-N 1 0 273.464 4.985 10 0 CJAERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021500500 171304934 /nfs/dbraw/zinc/30/49/34/171304934.db2.gz QGDQIZVHFDBTOY-BPQIPLTHSA-N 1 0 273.464 4.985 10 0 CJAERO C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021500502 171304985 /nfs/dbraw/zinc/30/49/85/171304985.db2.gz QGDQIZVHFDBTOY-SZMVWBNQSA-N 1 0 273.464 4.985 10 0 CJAERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000021500504 171305082 /nfs/dbraw/zinc/30/50/82/171305082.db2.gz QGDQIZVHFDBTOY-NJAFHUGGSA-N 1 0 273.464 4.985 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021500646 171305140 /nfs/dbraw/zinc/30/51/40/171305140.db2.gz ZOJYDYCBRIJNRK-LMMHAMTPSA-N 1 0 265.485 4.862 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021500648 171304948 /nfs/dbraw/zinc/30/49/48/171304948.db2.gz ZOJYDYCBRIJNRK-MULDDASSSA-N 1 0 265.485 4.862 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021500649 171304950 /nfs/dbraw/zinc/30/49/50/171304950.db2.gz ZOJYDYCBRIJNRK-PNVOZDDCSA-N 1 0 265.485 4.862 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021500651 171304908 /nfs/dbraw/zinc/30/49/08/171304908.db2.gz ZOJYDYCBRIJNRK-ZKZVPCBQSA-N 1 0 265.485 4.862 10 0 CJAERO Cc1ccc(C)c([C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC000021500728 171304966 /nfs/dbraw/zinc/30/49/66/171304966.db2.gz JYHQUXKZHIACNW-CHNSHAQVSA-N 1 0 269.432 4.520 10 0 CJAERO Cc1ccc(C)c([C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC000021500729 171304877 /nfs/dbraw/zinc/30/48/77/171304877.db2.gz JYHQUXKZHIACNW-ZJIILYSQSA-N 1 0 269.432 4.520 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000021500809 171305423 /nfs/dbraw/zinc/30/54/23/171305423.db2.gz MXJLVRTZWBVOQE-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO C[C@H]([NH3+])c1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000021500811 171305502 /nfs/dbraw/zinc/30/55/02/171305502.db2.gz MXJLVRTZWBVOQE-VIFPVBQESA-N 1 0 281.783 4.650 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000021501149 171305477 /nfs/dbraw/zinc/30/54/77/171305477.db2.gz PURIQSPWHPONQD-CQSZACIVSA-N 1 0 279.358 4.830 10 0 CJAERO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000021501151 171305572 /nfs/dbraw/zinc/30/55/72/171305572.db2.gz PURIQSPWHPONQD-AWEZNQCLSA-N 1 0 279.358 4.830 10 0 CJAERO CC[C@@H]([NH2+]C1CCCCCCC1)c1cccs1 ZINC000021501324 171305407 /nfs/dbraw/zinc/30/54/07/171305407.db2.gz XUSHDRDZZCOJGK-CQSZACIVSA-N 1 0 251.439 4.902 10 0 CJAERO CC[C@H]([NH2+]C1CCCCCCC1)c1cccs1 ZINC000021501326 171305563 /nfs/dbraw/zinc/30/55/63/171305563.db2.gz XUSHDRDZZCOJGK-AWEZNQCLSA-N 1 0 251.439 4.902 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1Oc1ccc(F)cc1 ZINC000021501480 171305460 /nfs/dbraw/zinc/30/54/60/171305460.db2.gz WQDPTOZHIFMPDR-MSOLQXFVSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1Oc1ccc(F)cc1 ZINC000021501481 171305328 /nfs/dbraw/zinc/30/53/28/171305328.db2.gz WQDPTOZHIFMPDR-ROUUACIJSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1Oc1ccc(F)cc1 ZINC000021501483 171305540 /nfs/dbraw/zinc/30/55/40/171305540.db2.gz WQDPTOZHIFMPDR-QZTJIDSGSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1Oc1ccc(F)cc1 ZINC000021501485 171305607 /nfs/dbraw/zinc/30/56/07/171305607.db2.gz WQDPTOZHIFMPDR-ZWKOTPCHSA-N 1 0 293.426 4.815 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC(C)(C)C1 ZINC000021501569 171305471 /nfs/dbraw/zinc/30/54/71/171305471.db2.gz QWBOAYGCRWXQKY-TZMCWYRMSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC(C)(C)C1 ZINC000021501571 171305605 /nfs/dbraw/zinc/30/56/05/171305605.db2.gz QWBOAYGCRWXQKY-GXTWGEPZSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC(C)(C)C1 ZINC000021501573 171305430 /nfs/dbraw/zinc/30/54/30/171305430.db2.gz QWBOAYGCRWXQKY-OCCSQVGLSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC(C)(C)C1 ZINC000021501574 171305358 /nfs/dbraw/zinc/30/53/58/171305358.db2.gz QWBOAYGCRWXQKY-JSGCOSHPSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1OC(F)F ZINC000021501592 171306027 /nfs/dbraw/zinc/30/60/27/171306027.db2.gz XZJMRHPXWKPUEQ-OBJOEFQTSA-N 1 0 283.362 4.517 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1OC(F)F ZINC000021501595 171305756 /nfs/dbraw/zinc/30/57/56/171305756.db2.gz XZJMRHPXWKPUEQ-SGMGOOAPSA-N 1 0 283.362 4.517 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(C)cc2C)C1 ZINC000021501651 171306034 /nfs/dbraw/zinc/30/60/34/171306034.db2.gz GMRJJDXGVZHJHX-NUJGCVRESA-N 1 0 289.463 4.614 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(C)cc2C)C1 ZINC000021501654 171305782 /nfs/dbraw/zinc/30/57/82/171305782.db2.gz GMRJJDXGVZHJHX-RYRKJORJSA-N 1 0 289.463 4.614 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1C ZINC000021501667 171305976 /nfs/dbraw/zinc/30/59/76/171305976.db2.gz UQPLYOWLKWWLEJ-CABCVRRESA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1C ZINC000021501669 171305730 /nfs/dbraw/zinc/30/57/30/171305730.db2.gz UQPLYOWLKWWLEJ-GJZGRUSLSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1C ZINC000021501671 171305698 /nfs/dbraw/zinc/30/56/98/171305698.db2.gz UQPLYOWLKWWLEJ-HUUCEWRRSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1C ZINC000021501673 171305792 /nfs/dbraw/zinc/30/57/92/171305792.db2.gz UQPLYOWLKWWLEJ-LSDHHAIUSA-N 1 0 271.379 4.854 10 0 CJAERO CC(C)(C)C1CCC([NH2+]C2CCCCCC2)CC1 ZINC000021501754 171306057 /nfs/dbraw/zinc/30/60/57/171306057.db2.gz QRWJJSZGWWWGNZ-UHFFFAOYSA-N 1 0 251.458 4.904 10 0 CJAERO CC(C)c1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000021501855 171306080 /nfs/dbraw/zinc/30/60/80/171306080.db2.gz RLKMQIKKWPHQAG-UHFFFAOYSA-N 1 0 267.416 4.532 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000021501984 171306015 /nfs/dbraw/zinc/30/60/15/171306015.db2.gz UGHAWUDZCGJMHI-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000021501985 171305905 /nfs/dbraw/zinc/30/59/05/171305905.db2.gz UGHAWUDZCGJMHI-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO CC1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000021502298 171306045 /nfs/dbraw/zinc/30/60/45/171306045.db2.gz BDDVPRPHTFMDCL-UHFFFAOYSA-N 1 0 253.389 4.508 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1cccs1 ZINC000021502381 171306575 /nfs/dbraw/zinc/30/65/75/171306575.db2.gz NIVVWRDXHNRIAS-ZDUSSCGKSA-N 1 0 253.455 4.860 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1cccs1 ZINC000021502383 171306341 /nfs/dbraw/zinc/30/63/41/171306341.db2.gz NIVVWRDXHNRIAS-CYBMUJFWSA-N 1 0 253.455 4.860 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000021502553 171306333 /nfs/dbraw/zinc/30/63/33/171306333.db2.gz QWUXZIHVJUAMOE-SNVBAGLBSA-N 1 0 263.793 4.511 10 0 CJAERO C[C@H]([NH3+])c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000021502555 171306473 /nfs/dbraw/zinc/30/64/73/171306473.db2.gz QWUXZIHVJUAMOE-JTQLQIEISA-N 1 0 263.793 4.511 10 0 CJAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC(C)C ZINC000021502567 171306508 /nfs/dbraw/zinc/30/65/08/171306508.db2.gz GXHOWGKOOKUINC-CYBMUJFWSA-N 1 0 259.393 4.692 10 0 CJAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC(C)C ZINC000021502569 171306311 /nfs/dbraw/zinc/30/63/11/171306311.db2.gz GXHOWGKOOKUINC-ZDUSSCGKSA-N 1 0 259.393 4.692 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]1C ZINC000021502593 171306494 /nfs/dbraw/zinc/30/64/94/171306494.db2.gz CCCBHLUFKWJOES-LALPHHSUSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[C@@H]1C ZINC000021502595 171306154 /nfs/dbraw/zinc/30/61/54/171306154.db2.gz CCCBHLUFKWJOES-YWPYICTPSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)[C@@H]1C ZINC000021502597 171306331 /nfs/dbraw/zinc/30/63/31/171306331.db2.gz CCCBHLUFKWJOES-JMSVASOKSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000021502599 171306351 /nfs/dbraw/zinc/30/63/51/171306351.db2.gz CCCBHLUFKWJOES-ZOWXZIJZSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccc3s2)CC(C)(C)C1 ZINC000021503363 171306746 /nfs/dbraw/zinc/30/67/46/171306746.db2.gz FKXCFHQDSAPZGR-CHWSQXEVSA-N 1 0 288.460 4.601 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3s2)CC(C)(C)C1 ZINC000021503365 171306869 /nfs/dbraw/zinc/30/68/69/171306869.db2.gz FKXCFHQDSAPZGR-QWHCGFSZSA-N 1 0 288.460 4.601 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]Cc2nc3ccccc3s2)CC(C)(C)C1 ZINC000021503367 171306843 /nfs/dbraw/zinc/30/68/43/171306843.db2.gz FKXCFHQDSAPZGR-OLZOCXBDSA-N 1 0 288.460 4.601 10 0 CJAERO C[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3s2)CC(C)(C)C1 ZINC000021503369 171306661 /nfs/dbraw/zinc/30/66/61/171306661.db2.gz FKXCFHQDSAPZGR-STQMWFEESA-N 1 0 288.460 4.601 10 0 CJAERO FC(F)(F)c1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000021503418 171306972 /nfs/dbraw/zinc/30/69/72/171306972.db2.gz OQRVRJKYSAJYAC-UHFFFAOYSA-N 1 0 283.337 4.686 10 0 CJAERO C[C@@H]([NH3+])c1c(F)cccc1Sc1ccccc1Cl ZINC000021503468 171306781 /nfs/dbraw/zinc/30/67/81/171306781.db2.gz LLPDPYIUQGCNOG-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO C[C@H]([NH3+])c1c(F)cccc1Sc1ccccc1Cl ZINC000021503470 171306789 /nfs/dbraw/zinc/30/67/89/171306789.db2.gz LLPDPYIUQGCNOG-VIFPVBQESA-N 1 0 281.783 4.650 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000021503651 171306892 /nfs/dbraw/zinc/30/68/92/171306892.db2.gz WQDAUYZEBZVZEE-ZBFHGGJFSA-N 1 0 263.400 4.520 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000021503653 171306846 /nfs/dbraw/zinc/30/68/46/171306846.db2.gz WQDAUYZEBZVZEE-HOCLYGCPSA-N 1 0 263.400 4.520 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000021503655 171307022 /nfs/dbraw/zinc/30/70/22/171307022.db2.gz WQDAUYZEBZVZEE-GDBMZVCRSA-N 1 0 263.400 4.520 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000021503657 171306859 /nfs/dbraw/zinc/30/68/59/171306859.db2.gz WQDAUYZEBZVZEE-GOEBONIOSA-N 1 0 263.400 4.520 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021503863 171306778 /nfs/dbraw/zinc/30/67/78/171306778.db2.gz VLSAPEJSAYAWQS-VIFPVBQESA-N 1 0 260.208 4.833 10 0 CJAERO CCC(CC)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021503865 171307102 /nfs/dbraw/zinc/30/71/02/171307102.db2.gz VLSAPEJSAYAWQS-SECBINFHSA-N 1 0 260.208 4.833 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2cccc3ccccc32)cc1 ZINC000021503902 171306890 /nfs/dbraw/zinc/30/68/90/171306890.db2.gz JSEKSKOGHCADTD-CYBMUJFWSA-N 1 0 263.340 4.652 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2cccc3ccccc32)cc1 ZINC000021503904 171306980 /nfs/dbraw/zinc/30/69/80/171306980.db2.gz JSEKSKOGHCADTD-ZDUSSCGKSA-N 1 0 263.340 4.652 10 0 CJAERO CC(C)(C)C1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000021504009 171306955 /nfs/dbraw/zinc/30/69/55/171306955.db2.gz OWEVRIRAMWAGFZ-UHFFFAOYSA-N 1 0 277.427 4.563 10 0 CJAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(Cl)cc1 ZINC000021504084 171306916 /nfs/dbraw/zinc/30/69/16/171306916.db2.gz MPYJESRYQCQLRC-GFCCVEGCSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)c1ccc(Cl)cc1 ZINC000021504085 171306976 /nfs/dbraw/zinc/30/69/76/171306976.db2.gz MPYJESRYQCQLRC-LBPRGKRZSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000021504171 171306732 /nfs/dbraw/zinc/30/67/32/171306732.db2.gz XMRAUHXLKVCZAW-WUPSSNNBSA-N 1 0 275.480 4.760 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000021504173 171306929 /nfs/dbraw/zinc/30/69/29/171306929.db2.gz XMRAUHXLKVCZAW-SJURODHESA-N 1 0 275.480 4.760 10 0 CJAERO C[C@@H]([NH3+])c1cccc(OCc2ccc(C(C)(C)C)cc2)c1 ZINC000021504174 171306951 /nfs/dbraw/zinc/30/69/51/171306951.db2.gz UKSGEFSRWZBJCD-CQSZACIVSA-N 1 0 283.415 4.583 10 0 CJAERO C[C@H]([NH3+])c1cccc(OCc2ccc(C(C)(C)C)cc2)c1 ZINC000021504176 171306970 /nfs/dbraw/zinc/30/69/70/171306970.db2.gz UKSGEFSRWZBJCD-AWEZNQCLSA-N 1 0 283.415 4.583 10 0 CJAERO CCCCOc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000021504411 171307288 /nfs/dbraw/zinc/30/72/88/171307288.db2.gz PHEITXRXGUPYLG-UHFFFAOYSA-N 1 0 275.436 4.678 10 0 CJAERO CCc1ccc([C@@H]([NH3+])[C@H](CC)c2ccccc2)s1 ZINC000021504677 171307206 /nfs/dbraw/zinc/30/72/06/171307206.db2.gz YPYIMSKDQDCHGM-ZBFHGGJFSA-N 1 0 259.418 4.504 10 0 CJAERO CCc1ccc([C@@H]([NH3+])[C@@H](CC)c2ccccc2)s1 ZINC000021504678 171307245 /nfs/dbraw/zinc/30/72/45/171307245.db2.gz YPYIMSKDQDCHGM-HOCLYGCPSA-N 1 0 259.418 4.504 10 0 CJAERO CC(C)CC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000021505372 171307550 /nfs/dbraw/zinc/30/75/50/171307550.db2.gz JOVHMMCWNCSJCU-GOSISDBHSA-N 1 0 259.437 4.944 10 0 CJAERO CC(C)CC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000021505374 171307746 /nfs/dbraw/zinc/30/77/46/171307746.db2.gz JOVHMMCWNCSJCU-SFHVURJKSA-N 1 0 259.437 4.944 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]C2CCCCC2)CC1 ZINC000021505495 171307565 /nfs/dbraw/zinc/30/75/65/171307565.db2.gz XSHGXQLUYPHSPC-UHFFFAOYSA-N 1 0 251.458 4.904 10 0 CJAERO CCC(C)(C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000021505735 171307419 /nfs/dbraw/zinc/30/74/19/171307419.db2.gz KEZISJMYUCELTA-AWEZNQCLSA-N 1 0 263.425 4.561 10 0 CJAERO CCC(C)(C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000021505737 171307663 /nfs/dbraw/zinc/30/76/63/171307663.db2.gz KEZISJMYUCELTA-CQSZACIVSA-N 1 0 263.425 4.561 10 0 CJAERO CC(C)(C)C1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000021506061 171307887 /nfs/dbraw/zinc/30/78/87/171307887.db2.gz PWGXRNOWXMAMGP-UHFFFAOYSA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021506203 171307958 /nfs/dbraw/zinc/30/79/58/171307958.db2.gz HMJBZGNLRLFNON-CYBMUJFWSA-N 1 0 285.378 4.592 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021506205 171308158 /nfs/dbraw/zinc/30/81/58/171308158.db2.gz HMJBZGNLRLFNON-ZDUSSCGKSA-N 1 0 285.378 4.592 10 0 CJAERO CC[C@@H]([NH2+]C1CCCCCCC1)c1ccc(F)cc1 ZINC000021506216 171307984 /nfs/dbraw/zinc/30/79/84/171307984.db2.gz BVPSIYIAZHKWFO-QGZVFWFLSA-N 1 0 263.400 4.979 10 0 CJAERO CC[C@H]([NH2+]C1CCCCCCC1)c1ccc(F)cc1 ZINC000021506218 171308157 /nfs/dbraw/zinc/30/81/57/171308157.db2.gz BVPSIYIAZHKWFO-KRWDZBQOSA-N 1 0 263.400 4.979 10 0 CJAERO CCCC[N@H+](C)C1(CN)CCCCCCCCCCC1 ZINC000021506345 171307996 /nfs/dbraw/zinc/30/79/96/171307996.db2.gz ASOJDDBGSOTLNT-UHFFFAOYSA-N 1 0 282.516 4.721 10 0 CJAERO C[C@@H]1CCC[N@@H+](C2(CN)CCCCCCCCCCC2)C1 ZINC000021506460 171308005 /nfs/dbraw/zinc/30/80/05/171308005.db2.gz WNPLKEAFOLZSSK-GOSISDBHSA-N 1 0 294.527 4.721 10 0 CJAERO C[C@H]1CCC[N@@H+](C2(CN)CCCCCCCCCCC2)C1 ZINC000021506462 171308040 /nfs/dbraw/zinc/30/80/40/171308040.db2.gz WNPLKEAFOLZSSK-SFHVURJKSA-N 1 0 294.527 4.721 10 0 CJAERO Cc1ccc(C(C)C)c(Oc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000021506557 171308088 /nfs/dbraw/zinc/30/80/88/171308088.db2.gz XZRBUKYMRVXRMX-CQSZACIVSA-N 1 0 269.388 4.930 10 0 CJAERO Cc1ccc(C(C)C)c(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000021506559 171308210 /nfs/dbraw/zinc/30/82/10/171308210.db2.gz XZRBUKYMRVXRMX-AWEZNQCLSA-N 1 0 269.388 4.930 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccs2)c(C)c1 ZINC000021506578 171307941 /nfs/dbraw/zinc/30/79/41/171307941.db2.gz OKJUAEKOBXZRIA-CQSZACIVSA-N 1 0 259.418 4.524 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccs2)c(C)c1 ZINC000021506579 171307938 /nfs/dbraw/zinc/30/79/38/171307938.db2.gz OKJUAEKOBXZRIA-AWEZNQCLSA-N 1 0 259.418 4.524 10 0 CJAERO CCCCC1CCC([C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000021506624 171308127 /nfs/dbraw/zinc/30/81/27/171308127.db2.gz SBFYIIUDEMORRS-VJFUWPCTSA-N 1 0 259.437 4.991 10 0 CJAERO CCCCC1CCC([C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000021506626 171308126 /nfs/dbraw/zinc/30/81/26/171308126.db2.gz SBFYIIUDEMORRS-VMWRSERWSA-N 1 0 259.437 4.991 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cccc(C)c2C)C1 ZINC000021506672 171307871 /nfs/dbraw/zinc/30/78/71/171307871.db2.gz IDDZHTGTMAOSJO-NUJGCVRESA-N 1 0 289.463 4.614 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2cccc(C)c2C)C1 ZINC000021506676 171308182 /nfs/dbraw/zinc/30/81/82/171308182.db2.gz IDDZHTGTMAOSJO-RYRKJORJSA-N 1 0 289.463 4.614 10 0 CJAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cc(Cl)ccc1Cl ZINC000021506738 171308168 /nfs/dbraw/zinc/30/81/68/171308168.db2.gz MKOWJTUHGALWJL-SECBINFHSA-N 1 0 284.230 4.833 10 0 CJAERO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cc(Cl)ccc1Cl ZINC000021506740 171308164 /nfs/dbraw/zinc/30/81/64/171308164.db2.gz MKOWJTUHGALWJL-VIFPVBQESA-N 1 0 284.230 4.833 10 0 CJAERO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000021506783 171308196 /nfs/dbraw/zinc/30/81/96/171308196.db2.gz QLZAZDNURXUQKH-LLVKDONJSA-N 1 0 297.295 4.695 10 0 CJAERO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000021506785 171308277 /nfs/dbraw/zinc/30/82/77/171308277.db2.gz QLZAZDNURXUQKH-NSHDSACASA-N 1 0 297.295 4.695 10 0 CJAERO CC(C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021507058 171308430 /nfs/dbraw/zinc/30/84/30/171308430.db2.gz DXNNUJOYGUFZFL-HNNXBMFYSA-N 1 0 253.389 4.660 10 0 CJAERO CC(C)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021507060 171308463 /nfs/dbraw/zinc/30/84/63/171308463.db2.gz DXNNUJOYGUFZFL-OAHLLOKOSA-N 1 0 253.389 4.660 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000021507206 171308456 /nfs/dbraw/zinc/30/84/56/171308456.db2.gz YNNALYWYDSLMNQ-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000021507208 171308406 /nfs/dbraw/zinc/30/84/06/171308406.db2.gz YNNALYWYDSLMNQ-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO CCC(CC)[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000021507753 184536196 /nfs/dbraw/zinc/53/61/96/184536196.db2.gz QHCFJTZGXJAACL-AWEZNQCLSA-N 1 0 284.241 4.678 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021508315 171308718 /nfs/dbraw/zinc/30/87/18/171308718.db2.gz UDWHOZBNSNNBRA-BASYENTBSA-N 1 0 259.437 4.724 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021508317 171309010 /nfs/dbraw/zinc/30/90/10/171309010.db2.gz UDWHOZBNSNNBRA-LDDOYCOJSA-N 1 0 259.437 4.724 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021508319 171308910 /nfs/dbraw/zinc/30/89/10/171308910.db2.gz UDWHOZBNSNNBRA-FSZRXZPDSA-N 1 0 259.437 4.724 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021508321 171308638 /nfs/dbraw/zinc/30/86/38/171308638.db2.gz UDWHOZBNSNNBRA-LLDVTBCESA-N 1 0 259.437 4.724 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000021508404 171308905 /nfs/dbraw/zinc/30/89/05/171308905.db2.gz GJICOIQBUDDFRX-AKJDGMEZSA-N 1 0 269.791 4.708 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000021508405 171308643 /nfs/dbraw/zinc/30/86/43/171308643.db2.gz GJICOIQBUDDFRX-QWKFWESOSA-N 1 0 269.791 4.708 10 0 CJAERO CC[C@@H]([NH2+]CCc1cccs1)c1ccc(Cl)cc1 ZINC000021508718 171309351 /nfs/dbraw/zinc/30/93/51/171309351.db2.gz QUVVARUKFXAGPT-OAHLLOKOSA-N 1 0 279.836 4.685 10 0 CJAERO CC[C@H]([NH2+]CCc1cccs1)c1ccc(Cl)cc1 ZINC000021508720 171309378 /nfs/dbraw/zinc/30/93/78/171309378.db2.gz QUVVARUKFXAGPT-HNNXBMFYSA-N 1 0 279.836 4.685 10 0 CJAERO CC[C@@H](C)c1ccccc1O[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000021508767 171309084 /nfs/dbraw/zinc/30/90/84/171309084.db2.gz JGKOPYQVJWZASA-ZRGWGRIASA-N 1 0 283.415 4.667 10 0 CJAERO CC[C@H](C)c1ccccc1O[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000021508769 171309154 /nfs/dbraw/zinc/30/91/54/171309154.db2.gz JGKOPYQVJWZASA-YZVOILCLSA-N 1 0 283.415 4.667 10 0 CJAERO CC[C@@H](C)c1ccccc1O[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000021508771 171309303 /nfs/dbraw/zinc/30/93/03/171309303.db2.gz JGKOPYQVJWZASA-SPYBWZPUSA-N 1 0 283.415 4.667 10 0 CJAERO CC[C@H](C)c1ccccc1O[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000021508773 171309421 /nfs/dbraw/zinc/30/94/21/171309421.db2.gz JGKOPYQVJWZASA-QMTMVMCOSA-N 1 0 283.415 4.667 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021508789 171309406 /nfs/dbraw/zinc/30/94/06/171309406.db2.gz ZEFCLAHKXWEKCT-HLLBOEOZSA-N 1 0 253.474 4.862 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000021508792 171309078 /nfs/dbraw/zinc/30/90/78/171309078.db2.gz ZEFCLAHKXWEKCT-YQQAZPJKSA-N 1 0 253.474 4.862 10 0 CJAERO CCC(CC)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000021508918 171309227 /nfs/dbraw/zinc/30/92/27/171309227.db2.gz CMCRYNUFSVMYTF-AWEZNQCLSA-N 1 0 255.405 4.927 10 0 CJAERO CCC(CC)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000021508920 171309371 /nfs/dbraw/zinc/30/93/71/171309371.db2.gz CMCRYNUFSVMYTF-CQSZACIVSA-N 1 0 255.405 4.927 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1C ZINC000021508929 262389625 /nfs/dbraw/zinc/38/96/25/262389625.db2.gz UCXPDEWTMGZNAR-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1C ZINC000021508931 262389696 /nfs/dbraw/zinc/38/96/96/262389696.db2.gz UCXPDEWTMGZNAR-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCCC1)c1ccc(F)cc1F ZINC000021509092 171309088 /nfs/dbraw/zinc/30/90/88/171309088.db2.gz WJZBDTRIGYMHGF-GFCCVEGCSA-N 1 0 267.363 4.728 10 0 CJAERO C[C@H]([NH2+]C1CCCCCCC1)c1ccc(F)cc1F ZINC000021509094 171309212 /nfs/dbraw/zinc/30/92/12/171309212.db2.gz WJZBDTRIGYMHGF-LBPRGKRZSA-N 1 0 267.363 4.728 10 0 CJAERO CC[C@@H]([NH2+]CCc1ccccc1F)c1cccc(Cl)c1 ZINC000021509441 171309557 /nfs/dbraw/zinc/30/95/57/171309557.db2.gz VAKIRJNXOAHVBH-QGZVFWFLSA-N 1 0 291.797 4.763 10 0 CJAERO CC[C@H]([NH2+]CCc1ccccc1F)c1cccc(Cl)c1 ZINC000021509443 171309854 /nfs/dbraw/zinc/30/98/54/171309854.db2.gz VAKIRJNXOAHVBH-KRWDZBQOSA-N 1 0 291.797 4.763 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000021509460 171309768 /nfs/dbraw/zinc/30/97/68/171309768.db2.gz YVNSFOGDMZSZDU-OLZOCXBDSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000021509461 171309562 /nfs/dbraw/zinc/30/95/62/171309562.db2.gz YVNSFOGDMZSZDU-STQMWFEESA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000021509463 171309715 /nfs/dbraw/zinc/30/97/15/171309715.db2.gz YVNSFOGDMZSZDU-CHWSQXEVSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000021509465 171309696 /nfs/dbraw/zinc/30/96/96/171309696.db2.gz YVNSFOGDMZSZDU-QWHCGFSZSA-N 1 0 275.342 4.685 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021509635 171309523 /nfs/dbraw/zinc/30/95/23/171309523.db2.gz ZCOIKFIMNWNHFK-KDOFPFPSSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021509637 171309630 /nfs/dbraw/zinc/30/96/30/171309630.db2.gz ZCOIKFIMNWNHFK-KSSFIOAISA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021509639 171309662 /nfs/dbraw/zinc/30/96/62/171309662.db2.gz ZCOIKFIMNWNHFK-RDTXWAMCSA-N 1 0 253.389 4.557 10 0 CJAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021509641 171309528 /nfs/dbraw/zinc/30/95/28/171309528.db2.gz ZCOIKFIMNWNHFK-KBXCAEBGSA-N 1 0 253.389 4.557 10 0 CJAERO CCC(CC)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000021509642 171309734 /nfs/dbraw/zinc/30/97/34/171309734.db2.gz QXSNTAXMYFOVRN-SFHVURJKSA-N 1 0 271.379 4.693 10 0 CJAERO CCC(CC)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000021509644 171309638 /nfs/dbraw/zinc/30/96/38/171309638.db2.gz QXSNTAXMYFOVRN-GOSISDBHSA-N 1 0 271.379 4.693 10 0 CJAERO CCC(CC)[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021509879 171309803 /nfs/dbraw/zinc/30/98/03/171309803.db2.gz QTCCVVGELSYCRC-GOSISDBHSA-N 1 0 253.389 4.790 10 0 CJAERO CCC(CC)[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021509880 171309682 /nfs/dbraw/zinc/30/96/82/171309682.db2.gz QTCCVVGELSYCRC-SFHVURJKSA-N 1 0 253.389 4.790 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]CCCOCC(C)C)CC1 ZINC000021510034 171309862 /nfs/dbraw/zinc/30/98/62/171309862.db2.gz FDPJYZMKJJDVNV-UHFFFAOYSA-N 1 0 283.500 4.634 10 0 CJAERO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021510070 171309496 /nfs/dbraw/zinc/30/94/96/171309496.db2.gz HIXWXHFYVZKCBG-GHMZBOCLSA-N 1 0 274.235 4.560 10 0 CJAERO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021510071 171309850 /nfs/dbraw/zinc/30/98/50/171309850.db2.gz HIXWXHFYVZKCBG-WDEREUQCSA-N 1 0 274.235 4.560 10 0 CJAERO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021510073 171309811 /nfs/dbraw/zinc/30/98/11/171309811.db2.gz HIXWXHFYVZKCBG-MNOVXSKESA-N 1 0 274.235 4.560 10 0 CJAERO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021510074 171309878 /nfs/dbraw/zinc/30/98/78/171309878.db2.gz HIXWXHFYVZKCBG-QWRGUYRKSA-N 1 0 274.235 4.560 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510134 171309649 /nfs/dbraw/zinc/30/96/49/171309649.db2.gz CYBSBFPKWXADDH-PPJGCQSWSA-N 1 0 263.469 4.616 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510136 171309706 /nfs/dbraw/zinc/30/97/06/171309706.db2.gz CYBSBFPKWXADDH-IWECOHLESA-N 1 0 263.469 4.616 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510138 171309629 /nfs/dbraw/zinc/30/96/29/171309629.db2.gz CYBSBFPKWXADDH-QAICXNGDSA-N 1 0 263.469 4.616 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510140 171309547 /nfs/dbraw/zinc/30/95/47/171309547.db2.gz CYBSBFPKWXADDH-LNOPCHKWSA-N 1 0 263.469 4.616 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1cccc(F)c1 ZINC000021510172 171309578 /nfs/dbraw/zinc/30/95/78/171309578.db2.gz IINPXHHLLBPJQG-KGLIPLIRSA-N 1 0 283.390 4.726 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000021510174 171309672 /nfs/dbraw/zinc/30/96/72/171309672.db2.gz IINPXHHLLBPJQG-KBPBESRZSA-N 1 0 283.390 4.726 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000021510176 171309499 /nfs/dbraw/zinc/30/94/99/171309499.db2.gz IINPXHHLLBPJQG-ZIAGYGMSSA-N 1 0 283.390 4.726 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000021510178 171309827 /nfs/dbraw/zinc/30/98/27/171309827.db2.gz IINPXHHLLBPJQG-UONOGXRCSA-N 1 0 283.390 4.726 10 0 CJAERO CC(C)C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000021510197 171309646 /nfs/dbraw/zinc/30/96/46/171309646.db2.gz RNYQVMLVFFNVRH-LJQANCHMSA-N 1 0 285.406 4.745 10 0 CJAERO CC(C)C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000021510198 171309786 /nfs/dbraw/zinc/30/97/86/171309786.db2.gz RNYQVMLVFFNVRH-IBGZPJMESA-N 1 0 285.406 4.745 10 0 CJAERO CC1CC[NH+](C2(CN)CCCCCCCCCCC2)CC1 ZINC000021510654 171310111 /nfs/dbraw/zinc/31/01/11/171310111.db2.gz IZAUBCSDIQUNEX-UHFFFAOYSA-N 1 0 294.527 4.721 10 0 CJAERO CCC(C)(C)[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000021510776 171309982 /nfs/dbraw/zinc/30/99/82/171309982.db2.gz PZECJVBFGQVXBQ-ZDUSSCGKSA-N 1 0 271.404 4.688 10 0 CJAERO CCC(C)(C)[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000021510778 171310046 /nfs/dbraw/zinc/31/00/46/171310046.db2.gz PZECJVBFGQVXBQ-CYBMUJFWSA-N 1 0 271.404 4.688 10 0 CJAERO Cc1cc(Oc2ccc([C@@H](C)[NH3+])cc2F)ccc1Cl ZINC000021510872 171310160 /nfs/dbraw/zinc/31/01/60/171310160.db2.gz ISXJDIZJNZWRTA-SNVBAGLBSA-N 1 0 279.742 4.600 10 0 CJAERO Cc1cc(Oc2ccc([C@H](C)[NH3+])cc2F)ccc1Cl ZINC000021510874 171309956 /nfs/dbraw/zinc/30/99/56/171309956.db2.gz ISXJDIZJNZWRTA-JTQLQIEISA-N 1 0 279.742 4.600 10 0 CJAERO Cc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000021510883 171310078 /nfs/dbraw/zinc/31/00/78/171310078.db2.gz YZGLLSHNVIUATR-UHFFFAOYSA-N 1 0 279.427 4.811 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000021510928 262389661 /nfs/dbraw/zinc/38/96/61/262389661.db2.gz BZDGHDFYXDQRKR-JKSUJKDBSA-N 1 0 283.415 4.806 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000021510930 171310280 /nfs/dbraw/zinc/31/02/80/171310280.db2.gz BZDGHDFYXDQRKR-HOTGVXAUSA-N 1 0 283.415 4.806 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000021510932 171310216 /nfs/dbraw/zinc/31/02/16/171310216.db2.gz BZDGHDFYXDQRKR-HZPDHXFCSA-N 1 0 283.415 4.806 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000021510934 262389389 /nfs/dbraw/zinc/38/93/89/262389389.db2.gz BZDGHDFYXDQRKR-CVEARBPZSA-N 1 0 283.415 4.806 10 0 CJAERO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000021511071 262389392 /nfs/dbraw/zinc/38/93/92/262389392.db2.gz XZEFMAMSQWKDGW-MRXNPFEDSA-N 1 0 283.415 4.572 10 0 CJAERO CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000021511073 262389362 /nfs/dbraw/zinc/38/93/62/262389362.db2.gz XZEFMAMSQWKDGW-INIZCTEOSA-N 1 0 283.415 4.572 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1Oc1ccccc1F ZINC000021511198 171310423 /nfs/dbraw/zinc/31/04/23/171310423.db2.gz QSYSFRNFYDAGQJ-AEFFLSMTSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1Oc1ccccc1F ZINC000021511200 171310535 /nfs/dbraw/zinc/31/05/35/171310535.db2.gz QSYSFRNFYDAGQJ-WMZOPIPTSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1Oc1ccccc1F ZINC000021511202 171310342 /nfs/dbraw/zinc/31/03/42/171310342.db2.gz QSYSFRNFYDAGQJ-SJLPKXTDSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1Oc1ccccc1F ZINC000021511204 171310481 /nfs/dbraw/zinc/31/04/81/171310481.db2.gz QSYSFRNFYDAGQJ-FUHWJXTLSA-N 1 0 293.426 4.815 10 0 CJAERO CCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000021511252 171310649 /nfs/dbraw/zinc/31/06/49/171310649.db2.gz YOPCJQSVKARPQK-OAHLLOKOSA-N 1 0 253.389 4.632 10 0 CJAERO CCC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000021511254 171310581 /nfs/dbraw/zinc/31/05/81/171310581.db2.gz YOPCJQSVKARPQK-HNNXBMFYSA-N 1 0 253.389 4.632 10 0 CJAERO CCC[NH+](CCC)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000021511402 171310503 /nfs/dbraw/zinc/31/05/03/171310503.db2.gz IOZZJVWBUVZUSG-ZWKOTPCHSA-N 1 0 282.516 4.719 10 0 CJAERO CCC[NH+](CCC)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000021511404 171310686 /nfs/dbraw/zinc/31/06/86/171310686.db2.gz IOZZJVWBUVZUSG-ROUUACIJSA-N 1 0 282.516 4.719 10 0 CJAERO CCC[NH+](CCC)[C@@H]1CCCCCCCCCC[C@H]1N ZINC000021511406 171310426 /nfs/dbraw/zinc/31/04/26/171310426.db2.gz IOZZJVWBUVZUSG-QZTJIDSGSA-N 1 0 282.516 4.719 10 0 CJAERO CCC[NH+](CCC)[C@H]1CCCCCCCCCC[C@H]1N ZINC000021511408 171310458 /nfs/dbraw/zinc/31/04/58/171310458.db2.gz IOZZJVWBUVZUSG-MSOLQXFVSA-N 1 0 282.516 4.719 10 0 CJAERO CCCC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000021511590 171310533 /nfs/dbraw/zinc/31/05/33/171310533.db2.gz SMYDFOODKAJJNT-JFUPDXTOSA-N 1 0 257.421 4.622 10 0 CJAERO CCCC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000021511592 171310377 /nfs/dbraw/zinc/31/03/77/171310377.db2.gz SMYDFOODKAJJNT-PVARCSIZSA-N 1 0 257.421 4.622 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000021511750 171310407 /nfs/dbraw/zinc/31/04/07/171310407.db2.gz QWPBXWHXUZFPQR-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000021511752 171310667 /nfs/dbraw/zinc/31/06/67/171310667.db2.gz QWPBXWHXUZFPQR-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO CC(C)Cc1ccc([C@@H]([NH3+])CCC2CCCC2)cc1 ZINC000021512035 171310848 /nfs/dbraw/zinc/31/08/48/171310848.db2.gz SUBCUTRQVVQLCE-SFHVURJKSA-N 1 0 259.437 4.855 10 0 CJAERO CC(C)Cc1ccc([C@H]([NH3+])CCC2CCCC2)cc1 ZINC000021512037 171311116 /nfs/dbraw/zinc/31/11/16/171311116.db2.gz SUBCUTRQVVQLCE-GOSISDBHSA-N 1 0 259.437 4.855 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CC(C)(C)C1 ZINC000021512058 171310774 /nfs/dbraw/zinc/31/07/74/171310774.db2.gz IKQFJYITUOZKDE-GDBMZVCRSA-N 1 0 251.458 4.904 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)CC(C)(C)C1 ZINC000021512060 171310951 /nfs/dbraw/zinc/31/09/51/171310951.db2.gz IKQFJYITUOZKDE-GOEBONIOSA-N 1 0 251.458 4.904 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CC(C)(C)C1 ZINC000021512062 171311049 /nfs/dbraw/zinc/31/10/49/171311049.db2.gz IKQFJYITUOZKDE-ZBFHGGJFSA-N 1 0 251.458 4.904 10 0 CJAERO C[C@H]1C[C@H]([NH2+]C2CCCCCCC2)CC(C)(C)C1 ZINC000021512063 171310803 /nfs/dbraw/zinc/31/08/03/171310803.db2.gz IKQFJYITUOZKDE-HOCLYGCPSA-N 1 0 251.458 4.904 10 0 CJAERO Cc1ccc([C@H]([NH3+])COc2cc(C)ccc2C(C)C)cc1 ZINC000021512067 171310942 /nfs/dbraw/zinc/31/09/42/171310942.db2.gz PXGMGALRGKGYGO-GOSISDBHSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])COc2cc(C)ccc2C(C)C)cc1 ZINC000021512069 171310919 /nfs/dbraw/zinc/31/09/19/171310919.db2.gz PXGMGALRGKGYGO-SFHVURJKSA-N 1 0 283.415 4.506 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000021512239 171311104 /nfs/dbraw/zinc/31/11/04/171311104.db2.gz RLIIPUCPTWRKBK-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000021512241 171311098 /nfs/dbraw/zinc/31/10/98/171311098.db2.gz RLIIPUCPTWRKBK-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cccc(Br)c1 ZINC000021512265 171310813 /nfs/dbraw/zinc/31/08/13/171310813.db2.gz OFNYHEZFWHZGEK-XUJVJEKNSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000021512267 171310959 /nfs/dbraw/zinc/31/09/59/171310959.db2.gz OFNYHEZFWHZGEK-HUBLWGQQSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cccc(Br)c1 ZINC000021512269 171310989 /nfs/dbraw/zinc/31/09/89/171310989.db2.gz OFNYHEZFWHZGEK-TYNCELHUSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000021512270 171310970 /nfs/dbraw/zinc/31/09/70/171310970.db2.gz OFNYHEZFWHZGEK-SLEUVZQESA-N 1 0 296.252 4.678 10 0 CJAERO C[C@@H]([NH3+])c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000021512681 171310882 /nfs/dbraw/zinc/31/08/82/171310882.db2.gz CNSARZNCSBHELW-CQSZACIVSA-N 1 0 283.415 4.583 10 0 CJAERO C[C@H]([NH3+])c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000021512683 171310791 /nfs/dbraw/zinc/31/07/91/171310791.db2.gz CNSARZNCSBHELW-AWEZNQCLSA-N 1 0 283.415 4.583 10 0 CJAERO CC(C)C[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000021512897 171310984 /nfs/dbraw/zinc/31/09/84/171310984.db2.gz ICIYBGNUAVATDP-HXUWFJFHSA-N 1 0 281.443 4.996 10 0 CJAERO CC(C)C[C@H]([NH2+]CCCc1ccccc1)c1ccccc1 ZINC000021512898 171310902 /nfs/dbraw/zinc/31/09/02/171310902.db2.gz ICIYBGNUAVATDP-FQEVSTJZSA-N 1 0 281.443 4.996 10 0 CJAERO CCCC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000021512945 171310810 /nfs/dbraw/zinc/31/08/10/171310810.db2.gz GZNDOFSZLMJVNO-IBGZPJMESA-N 1 0 267.416 4.783 10 0 CJAERO CCCC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000021512947 171310916 /nfs/dbraw/zinc/31/09/16/171310916.db2.gz GZNDOFSZLMJVNO-LJQANCHMSA-N 1 0 267.416 4.783 10 0 CJAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000021513111 171311419 /nfs/dbraw/zinc/31/14/19/171311419.db2.gz UWOMHRANDKXGMO-CXAGYDPISA-N 1 0 255.361 4.525 10 0 CJAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000021513113 171311425 /nfs/dbraw/zinc/31/14/25/171311425.db2.gz UWOMHRANDKXGMO-SUMWQHHRSA-N 1 0 255.361 4.525 10 0 CJAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000021513115 171311522 /nfs/dbraw/zinc/31/15/22/171311522.db2.gz UWOMHRANDKXGMO-DYVFJYSZSA-N 1 0 255.361 4.525 10 0 CJAERO CC[C@H](C)[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000021513117 171311510 /nfs/dbraw/zinc/31/15/10/171311510.db2.gz UWOMHRANDKXGMO-GUYCJALGSA-N 1 0 255.361 4.525 10 0 CJAERO CCC(C)(C)c1ccc(OC[C@@H](C)[NH3+])c(C(C)(C)CC)c1 ZINC000021513140 171311338 /nfs/dbraw/zinc/31/13/38/171311338.db2.gz IXLIGDCJQBQBKA-CQSZACIVSA-N 1 0 291.479 4.788 10 0 CJAERO CCC(C)(C)c1ccc(OC[C@H](C)[NH3+])c(C(C)(C)CC)c1 ZINC000021513142 171311420 /nfs/dbraw/zinc/31/14/20/171311420.db2.gz IXLIGDCJQBQBKA-AWEZNQCLSA-N 1 0 291.479 4.788 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021513143 171311479 /nfs/dbraw/zinc/31/14/79/171311479.db2.gz GAPRSPHWWUUKTE-MRXNPFEDSA-N 1 0 261.453 4.841 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000021513145 171311333 /nfs/dbraw/zinc/31/13/33/171311333.db2.gz GAPRSPHWWUUKTE-INIZCTEOSA-N 1 0 261.453 4.841 10 0 CJAERO CCCCOc1ccc(C[NH2+][C@@H](C)c2cccs2)cc1 ZINC000021513910 262388325 /nfs/dbraw/zinc/38/83/25/262388325.db2.gz CLVTZRIEGDLSJR-AWEZNQCLSA-N 1 0 289.444 4.778 10 0 CJAERO CCCCOc1ccc(C[NH2+][C@H](C)c2cccs2)cc1 ZINC000021513911 262388048 /nfs/dbraw/zinc/38/80/48/262388048.db2.gz CLVTZRIEGDLSJR-CQSZACIVSA-N 1 0 289.444 4.778 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021513968 171311650 /nfs/dbraw/zinc/31/16/50/171311650.db2.gz BXGZHQBEFCVMHI-HJZRJOMTSA-N 1 0 271.448 4.881 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021513970 171311649 /nfs/dbraw/zinc/31/16/49/171311649.db2.gz BXGZHQBEFCVMHI-RXQRSOPUSA-N 1 0 271.448 4.881 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021513972 171311605 /nfs/dbraw/zinc/31/16/05/171311605.db2.gz BXGZHQBEFCVMHI-JYPHPWERSA-N 1 0 271.448 4.881 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021513974 171311638 /nfs/dbraw/zinc/31/16/38/171311638.db2.gz BXGZHQBEFCVMHI-GWFLUQINSA-N 1 0 271.448 4.881 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000021514888 171311849 /nfs/dbraw/zinc/31/18/49/171311849.db2.gz BAXCJZQBDQQXLJ-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000021514890 171312040 /nfs/dbraw/zinc/31/20/40/171312040.db2.gz BAXCJZQBDQQXLJ-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000021514934 171311883 /nfs/dbraw/zinc/31/18/83/171311883.db2.gz BJEMSXPSBLSOGV-QGZVFWFLSA-N 1 0 267.416 4.587 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000021514936 171311900 /nfs/dbraw/zinc/31/19/00/171311900.db2.gz BJEMSXPSBLSOGV-KRWDZBQOSA-N 1 0 267.416 4.587 10 0 CJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc2ccccc2c1 ZINC000021515381 171311800 /nfs/dbraw/zinc/31/18/00/171311800.db2.gz SPVGQZXIWYHDPF-GFCCVEGCSA-N 1 0 281.330 4.791 10 0 CJAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1ccc2ccccc2c1 ZINC000021515383 171311988 /nfs/dbraw/zinc/31/19/88/171311988.db2.gz SPVGQZXIWYHDPF-LBPRGKRZSA-N 1 0 281.330 4.791 10 0 CJAERO CCCCOc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000021515395 171311838 /nfs/dbraw/zinc/31/18/38/171311838.db2.gz YHVLCHYMUSXVGK-UHFFFAOYSA-N 1 0 275.436 4.534 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000021515464 171312032 /nfs/dbraw/zinc/31/20/32/171312032.db2.gz XIZRLFZYWBYQBC-SECBINFHSA-N 1 0 282.170 4.805 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000021515466 171311750 /nfs/dbraw/zinc/31/17/50/171311750.db2.gz XIZRLFZYWBYQBC-VIFPVBQESA-N 1 0 282.170 4.805 10 0 CJAERO CCCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000021516003 171312270 /nfs/dbraw/zinc/31/22/70/171312270.db2.gz PYVLUTOWBWIYQF-SFHVURJKSA-N 1 0 271.379 4.695 10 0 CJAERO CCCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000021516004 171312221 /nfs/dbraw/zinc/31/22/21/171312221.db2.gz PYVLUTOWBWIYQF-GOSISDBHSA-N 1 0 271.379 4.695 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000021516096 171312649 /nfs/dbraw/zinc/31/26/49/171312649.db2.gz QVUQVXBVKOJQOX-CVEARBPZSA-N 1 0 279.427 4.977 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000021516097 171312346 /nfs/dbraw/zinc/31/23/46/171312346.db2.gz QVUQVXBVKOJQOX-HOTGVXAUSA-N 1 0 279.427 4.977 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000021516098 171312604 /nfs/dbraw/zinc/31/26/04/171312604.db2.gz QVUQVXBVKOJQOX-HZPDHXFCSA-N 1 0 279.427 4.977 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021516099 171312632 /nfs/dbraw/zinc/31/26/32/171312632.db2.gz QVUQVXBVKOJQOX-JKSUJKDBSA-N 1 0 279.427 4.977 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccccc1OC(F)F ZINC000021516299 171312950 /nfs/dbraw/zinc/31/29/50/171312950.db2.gz CUZGQCWHOHIRII-CYBMUJFWSA-N 1 0 285.378 4.594 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccccc1OC(F)F ZINC000021516300 171313001 /nfs/dbraw/zinc/31/30/01/171313001.db2.gz CUZGQCWHOHIRII-ZDUSSCGKSA-N 1 0 285.378 4.594 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2C(C)(C)C)cc1 ZINC000021516319 171312812 /nfs/dbraw/zinc/31/28/12/171312812.db2.gz NXGBJDMJXOITJY-CYBMUJFWSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2C(C)(C)C)cc1 ZINC000021516320 171312769 /nfs/dbraw/zinc/31/27/69/171312769.db2.gz NXGBJDMJXOITJY-ZDUSSCGKSA-N 1 0 269.388 4.796 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2)cc1 ZINC000021516403 171312869 /nfs/dbraw/zinc/31/28/69/171312869.db2.gz RLUXSKIDIOSGDB-MRXNPFEDSA-N 1 0 275.395 4.999 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000021516404 171312873 /nfs/dbraw/zinc/31/28/73/171312873.db2.gz RLUXSKIDIOSGDB-INIZCTEOSA-N 1 0 275.395 4.999 10 0 CJAERO C[C@@H]([NH2+]CCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000021516494 171312796 /nfs/dbraw/zinc/31/27/96/171312796.db2.gz GNWBVBSVPWVTEG-GFCCVEGCSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@H]([NH2+]CCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000021516495 171312800 /nfs/dbraw/zinc/31/28/00/171312800.db2.gz GNWBVBSVPWVTEG-LBPRGKRZSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000021516544 171312755 /nfs/dbraw/zinc/31/27/55/171312755.db2.gz VNNLAPDJQFQISV-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000021516545 171312987 /nfs/dbraw/zinc/31/29/87/171312987.db2.gz VNNLAPDJQFQISV-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000021516578 171312941 /nfs/dbraw/zinc/31/29/41/171312941.db2.gz XEJACJSECVEXPU-HNAYVOBHSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000021516579 171312971 /nfs/dbraw/zinc/31/29/71/171312971.db2.gz XEJACJSECVEXPU-DNVCBOLYSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000021516580 171312736 /nfs/dbraw/zinc/31/27/36/171312736.db2.gz XEJACJSECVEXPU-KXBFYZLASA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc(C(C)C)c(O[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000021516581 171313069 /nfs/dbraw/zinc/31/30/69/171313069.db2.gz XEJACJSECVEXPU-BEFAXECRSA-N 1 0 283.415 4.586 10 0 CJAERO C[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000021516614 171312835 /nfs/dbraw/zinc/31/28/35/171312835.db2.gz XBLAYXUJGIRVEP-SECBINFHSA-N 1 0 258.192 4.587 10 0 CJAERO C[C@H]([NH2+]C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000021516615 171313015 /nfs/dbraw/zinc/31/30/15/171313015.db2.gz XBLAYXUJGIRVEP-VIFPVBQESA-N 1 0 258.192 4.587 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000021516728 171313053 /nfs/dbraw/zinc/31/30/53/171313053.db2.gz XUVNSXPQPJFDPR-SNVBAGLBSA-N 1 0 272.219 4.977 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000021516729 171312933 /nfs/dbraw/zinc/31/29/33/171312933.db2.gz XUVNSXPQPJFDPR-JTQLQIEISA-N 1 0 272.219 4.977 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000021516932 171313522 /nfs/dbraw/zinc/31/35/22/171313522.db2.gz BDFHSHWTQXMZQK-OAHLLOKOSA-N 1 0 275.436 4.849 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+]C1CCCCCCC1 ZINC000021516933 171313137 /nfs/dbraw/zinc/31/31/37/171313137.db2.gz BDFHSHWTQXMZQK-HNNXBMFYSA-N 1 0 275.436 4.849 10 0 CJAERO CC(C)c1ccccc1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021517213 171313827 /nfs/dbraw/zinc/31/38/27/171313827.db2.gz VIZOLVLDPOPIBV-CYBMUJFWSA-N 1 0 255.361 4.622 10 0 CJAERO CC(C)c1ccccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000021517214 171313774 /nfs/dbraw/zinc/31/37/74/171313774.db2.gz VIZOLVLDPOPIBV-ZDUSSCGKSA-N 1 0 255.361 4.622 10 0 CJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cccc2ccccc21 ZINC000021517221 171313671 /nfs/dbraw/zinc/31/36/71/171313671.db2.gz ITEBZRLPTXYGCI-GFCCVEGCSA-N 1 0 281.330 4.791 10 0 CJAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1cccc2ccccc21 ZINC000021517222 171313814 /nfs/dbraw/zinc/31/38/14/171313814.db2.gz ITEBZRLPTXYGCI-LBPRGKRZSA-N 1 0 281.330 4.791 10 0 CJAERO Cc1ccc(C)c(Sc2cccc(F)c2[C@@H](C)[NH3+])c1 ZINC000021517240 171313659 /nfs/dbraw/zinc/31/36/59/171313659.db2.gz OOPDMQRKSBFDHF-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(C)c(Sc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000021517241 171313602 /nfs/dbraw/zinc/31/36/02/171313602.db2.gz OOPDMQRKSBFDHF-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)s1 ZINC000021517322 171313709 /nfs/dbraw/zinc/31/37/09/171313709.db2.gz ORDGKGHJLVQZBO-ZDUSSCGKSA-N 1 0 286.227 4.665 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)s1 ZINC000021517323 171313819 /nfs/dbraw/zinc/31/38/19/171313819.db2.gz ORDGKGHJLVQZBO-CYBMUJFWSA-N 1 0 286.227 4.665 10 0 CJAERO CCCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021517455 171313669 /nfs/dbraw/zinc/31/36/69/171313669.db2.gz PQGQAQKDTXWKPD-UHFFFAOYSA-N 1 0 253.389 4.556 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1 ZINC000021517466 171313631 /nfs/dbraw/zinc/31/36/31/171313631.db2.gz QOHNDJLPRIUNGI-CQSZACIVSA-N 1 0 273.445 4.765 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]CCc2cccs2)cc1 ZINC000021517467 171313826 /nfs/dbraw/zinc/31/38/26/171313826.db2.gz QOHNDJLPRIUNGI-AWEZNQCLSA-N 1 0 273.445 4.765 10 0 CJAERO CCCC(CCC)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000021517732 171314146 /nfs/dbraw/zinc/31/41/46/171314146.db2.gz WUOARYYHWAVLMF-LBPRGKRZSA-N 1 0 253.817 4.959 10 0 CJAERO CCCC(CCC)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000021517733 171314173 /nfs/dbraw/zinc/31/41/73/171314173.db2.gz WUOARYYHWAVLMF-GFCCVEGCSA-N 1 0 253.817 4.959 10 0 CJAERO C[C@@H](CCc1ccco1)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021517937 171314028 /nfs/dbraw/zinc/31/40/28/171314028.db2.gz NXECOYYAWHUQNG-FHERZECASA-N 1 0 277.452 4.795 10 0 CJAERO C[C@H](CCc1ccco1)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021517938 171314050 /nfs/dbraw/zinc/31/40/50/171314050.db2.gz NXECOYYAWHUQNG-QQFBHYJXSA-N 1 0 277.452 4.795 10 0 CJAERO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021517950 171314281 /nfs/dbraw/zinc/31/42/81/171314281.db2.gz ZIHUBSBIDZESSI-ZJUUUORDSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021517951 171313989 /nfs/dbraw/zinc/31/39/89/171313989.db2.gz ZIHUBSBIDZESSI-UWVGGRQHSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021517952 171313920 /nfs/dbraw/zinc/31/39/20/171313920.db2.gz ZIHUBSBIDZESSI-NXEZZACHSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021517953 171314095 /nfs/dbraw/zinc/31/40/95/171314095.db2.gz ZIHUBSBIDZESSI-VHSXEESVSA-N 1 0 260.208 4.690 10 0 CJAERO CCC1CCC([NH2+]CCCn2ccc3ccccc32)CC1 ZINC000021517963 171313942 /nfs/dbraw/zinc/31/39/42/171313942.db2.gz DPWNACQRNMUPCE-UHFFFAOYSA-N 1 0 284.447 4.590 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021518122 171313925 /nfs/dbraw/zinc/31/39/25/171313925.db2.gz QWUPURMJRITVJI-UONOGXRCSA-N 1 0 265.466 4.884 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021518123 171314066 /nfs/dbraw/zinc/31/40/66/171314066.db2.gz QWUPURMJRITVJI-KBPBESRZSA-N 1 0 265.466 4.884 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021518124 171314216 /nfs/dbraw/zinc/31/42/16/171314216.db2.gz QWUPURMJRITVJI-ZIAGYGMSSA-N 1 0 265.466 4.884 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021518125 171313937 /nfs/dbraw/zinc/31/39/37/171313937.db2.gz QWUPURMJRITVJI-KGLIPLIRSA-N 1 0 265.466 4.884 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000021518424 171314455 /nfs/dbraw/zinc/31/44/55/171314455.db2.gz MZVCVXSMYWNXJM-GFCCVEGCSA-N 1 0 273.342 4.620 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000021518425 171314623 /nfs/dbraw/zinc/31/46/23/171314623.db2.gz MZVCVXSMYWNXJM-LBPRGKRZSA-N 1 0 273.342 4.620 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1cccc(Cl)c1Cl ZINC000021518461 171314485 /nfs/dbraw/zinc/31/44/85/171314485.db2.gz DFRYCNXCHLWMKW-SECBINFHSA-N 1 0 282.170 4.805 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Oc1cccc(Cl)c1Cl ZINC000021518462 171314498 /nfs/dbraw/zinc/31/44/98/171314498.db2.gz DFRYCNXCHLWMKW-VIFPVBQESA-N 1 0 282.170 4.805 10 0 CJAERO CCC(CC)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000021518497 171314606 /nfs/dbraw/zinc/31/46/06/171314606.db2.gz CUUXJIXYZISHEP-IBGZPJMESA-N 1 0 267.416 4.749 10 0 CJAERO CCC(CC)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000021518498 171314617 /nfs/dbraw/zinc/31/46/17/171314617.db2.gz CUUXJIXYZISHEP-LJQANCHMSA-N 1 0 267.416 4.749 10 0 CJAERO [NH3+][C@@H](CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000021518696 171314901 /nfs/dbraw/zinc/31/49/01/171314901.db2.gz XPPHGKUWTOYJNP-HNNXBMFYSA-N 1 0 251.801 4.700 10 0 CJAERO [NH3+][C@H](CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000021518697 171314913 /nfs/dbraw/zinc/31/49/13/171314913.db2.gz XPPHGKUWTOYJNP-OAHLLOKOSA-N 1 0 251.801 4.700 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000021518822 171314794 /nfs/dbraw/zinc/31/47/94/171314794.db2.gz HSRYTDYJAVNKAR-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000021518823 171314891 /nfs/dbraw/zinc/31/48/91/171314891.db2.gz HSRYTDYJAVNKAR-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000021518916 171315049 /nfs/dbraw/zinc/31/50/49/171315049.db2.gz QVXHXGRBSFEWPO-ONUSSAAZSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000021518917 171314865 /nfs/dbraw/zinc/31/48/65/171314865.db2.gz QVXHXGRBSFEWPO-GGKPKWOWSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000021518918 171314995 /nfs/dbraw/zinc/31/49/95/171314995.db2.gz QVXHXGRBSFEWPO-HRJSJKBJSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000021518919 171314923 /nfs/dbraw/zinc/31/49/23/171314923.db2.gz QVXHXGRBSFEWPO-OJIVJNGMSA-N 1 0 293.426 4.685 10 0 CJAERO CCCCCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000021518942 171314909 /nfs/dbraw/zinc/31/49/09/171314909.db2.gz OPSNQJWHNRMEMW-LBPRGKRZSA-N 1 0 271.351 4.519 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000021518943 171314857 /nfs/dbraw/zinc/31/48/57/171314857.db2.gz OPSNQJWHNRMEMW-GFCCVEGCSA-N 1 0 271.351 4.519 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c(C)s1 ZINC000021519027 171314723 /nfs/dbraw/zinc/31/47/23/171314723.db2.gz NDQDWSKFRYEOCA-WBIUFABUSA-N 1 0 251.439 4.594 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c(C)s1 ZINC000021519029 171314931 /nfs/dbraw/zinc/31/49/31/171314931.db2.gz NDQDWSKFRYEOCA-ITDIGPHOSA-N 1 0 251.439 4.594 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000021519148 171315172 /nfs/dbraw/zinc/31/51/72/171315172.db2.gz APKWSVVUKWQUDN-LZQZEXGQSA-N 1 0 289.463 4.795 10 0 CJAERO CC[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000021519149 171315196 /nfs/dbraw/zinc/31/51/96/171315196.db2.gz APKWSVVUKWQUDN-IPELMVKDSA-N 1 0 289.463 4.795 10 0 CJAERO CC[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000021519150 171315232 /nfs/dbraw/zinc/31/52/32/171315232.db2.gz APKWSVVUKWQUDN-ATZDWAIDSA-N 1 0 289.463 4.795 10 0 CJAERO CC[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000021519151 171315226 /nfs/dbraw/zinc/31/52/26/171315226.db2.gz APKWSVVUKWQUDN-KFKAGJAMSA-N 1 0 289.463 4.795 10 0 CJAERO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(F)cc1F ZINC000021520088 262389026 /nfs/dbraw/zinc/38/90/26/262389026.db2.gz IRLQAWMRBFKSTR-GFCCVEGCSA-N 1 0 265.347 4.506 10 0 CJAERO C[C@H]([NH2+]CCC1=CCCCC1)c1ccc(F)cc1F ZINC000021520089 262388857 /nfs/dbraw/zinc/38/88/57/262388857.db2.gz IRLQAWMRBFKSTR-LBPRGKRZSA-N 1 0 265.347 4.506 10 0 CJAERO CC(C)(C)[C@@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000021520093 171315633 /nfs/dbraw/zinc/31/56/33/171315633.db2.gz LMMXKUVHRXSYFR-INIZCTEOSA-N 1 0 255.361 4.525 10 0 CJAERO CC(C)(C)[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000021520094 171315490 /nfs/dbraw/zinc/31/54/90/171315490.db2.gz LMMXKUVHRXSYFR-MRXNPFEDSA-N 1 0 255.361 4.525 10 0 CJAERO CC(C)CCOc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000021520162 171315458 /nfs/dbraw/zinc/31/54/58/171315458.db2.gz LQHHHJFWHWXWMJ-UHFFFAOYSA-N 1 0 275.436 4.534 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000021520217 171315445 /nfs/dbraw/zinc/31/54/45/171315445.db2.gz XSGSVZLAPCHVAI-NEPJUHHUSA-N 1 0 271.807 4.954 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000021520218 171315482 /nfs/dbraw/zinc/31/54/82/171315482.db2.gz XSGSVZLAPCHVAI-RYUDHWBXSA-N 1 0 271.807 4.954 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000021520219 171315741 /nfs/dbraw/zinc/31/57/41/171315741.db2.gz XSGSVZLAPCHVAI-VXGBXAGGSA-N 1 0 271.807 4.954 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000021520220 171315405 /nfs/dbraw/zinc/31/54/05/171315405.db2.gz XSGSVZLAPCHVAI-NWDGAFQWSA-N 1 0 271.807 4.954 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000021520221 171315724 /nfs/dbraw/zinc/31/57/24/171315724.db2.gz LNEZMUNDCYOEPW-HSBZDZAISA-N 1 0 251.439 4.758 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000021520222 171315646 /nfs/dbraw/zinc/31/56/46/171315646.db2.gz LNEZMUNDCYOEPW-IYXRBSQSSA-N 1 0 251.439 4.758 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000021520249 171315591 /nfs/dbraw/zinc/31/55/91/171315591.db2.gz FRWBJPVOLMUFRO-CYBMUJFWSA-N 1 0 263.450 4.782 10 0 CJAERO CSc1ccc([C@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000021520250 171315548 /nfs/dbraw/zinc/31/55/48/171315548.db2.gz FRWBJPVOLMUFRO-ZDUSSCGKSA-N 1 0 263.450 4.782 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000021520289 171315706 /nfs/dbraw/zinc/31/57/06/171315706.db2.gz BQUDCCDDANXJRX-UHFFFAOYSA-N 1 0 289.463 4.780 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000021520414 171315697 /nfs/dbraw/zinc/31/56/97/171315697.db2.gz KPPVGUFNJCDUNW-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000021520415 171315398 /nfs/dbraw/zinc/31/53/98/171315398.db2.gz KPPVGUFNJCDUNW-AWEZNQCLSA-N 1 0 273.807 4.808 10 0 CJAERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1Cl ZINC000021520417 171315586 /nfs/dbraw/zinc/31/55/86/171315586.db2.gz VMOTXMAULJRDBV-CQSZACIVSA-N 1 0 273.807 4.623 10 0 CJAERO C[C@H]([NH2+]CCCc1ccccc1)c1ccccc1Cl ZINC000021520418 171315621 /nfs/dbraw/zinc/31/56/21/171315621.db2.gz VMOTXMAULJRDBV-AWEZNQCLSA-N 1 0 273.807 4.623 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1OCCC ZINC000021520456 171315637 /nfs/dbraw/zinc/31/56/37/171315637.db2.gz DIGAAUQVDDLHRS-OAHLLOKOSA-N 1 0 293.451 4.571 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1OCCC ZINC000021520457 171315583 /nfs/dbraw/zinc/31/55/83/171315583.db2.gz DIGAAUQVDDLHRS-HNNXBMFYSA-N 1 0 293.451 4.571 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000021520473 171315783 /nfs/dbraw/zinc/31/57/83/171315783.db2.gz LHNQYMMWUXQQAP-GOSISDBHSA-N 1 0 259.437 4.724 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000021520474 171315730 /nfs/dbraw/zinc/31/57/30/171315730.db2.gz LHNQYMMWUXQQAP-SFHVURJKSA-N 1 0 259.437 4.724 10 0 CJAERO CC(C)CCCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000021520499 171315473 /nfs/dbraw/zinc/31/54/73/171315473.db2.gz RHOWAGKXVYWNFL-GOSISDBHSA-N 1 0 259.437 4.870 10 0 CJAERO CC(C)CCCCCC[NH2+][C@H]1CCc2ccccc21 ZINC000021520500 171315585 /nfs/dbraw/zinc/31/55/85/171315585.db2.gz RHOWAGKXVYWNFL-SFHVURJKSA-N 1 0 259.437 4.870 10 0 CJAERO Cc1cc(Oc2ccc(F)cc2[C@@H](C)[NH3+])ccc1Cl ZINC000021520562 171316007 /nfs/dbraw/zinc/31/60/07/171316007.db2.gz ULJIEYHFYNZQBT-SNVBAGLBSA-N 1 0 279.742 4.600 10 0 CJAERO Cc1cc(Oc2ccc(F)cc2[C@H](C)[NH3+])ccc1Cl ZINC000021520563 171316205 /nfs/dbraw/zinc/31/62/05/171316205.db2.gz ULJIEYHFYNZQBT-JTQLQIEISA-N 1 0 279.742 4.600 10 0 CJAERO CCCC[NH2+]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000021520578 171316168 /nfs/dbraw/zinc/31/61/68/171316168.db2.gz TUBMRLNVMPXZNZ-UHFFFAOYSA-N 1 0 291.479 4.877 10 0 CJAERO CC(C)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000021520785 171316153 /nfs/dbraw/zinc/31/61/53/171316153.db2.gz FZFCMZWGNZEFEM-IBGZPJMESA-N 1 0 267.416 4.606 10 0 CJAERO CC(C)CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000021520786 171316147 /nfs/dbraw/zinc/31/61/47/171316147.db2.gz FZFCMZWGNZEFEM-LJQANCHMSA-N 1 0 267.416 4.606 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H]1C ZINC000021520998 171315936 /nfs/dbraw/zinc/31/59/36/171315936.db2.gz BZCZXVZZTAFOCV-JTNHKYCSSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CCC[C@@H]1C ZINC000021520999 171315994 /nfs/dbraw/zinc/31/59/94/171315994.db2.gz BZCZXVZZTAFOCV-MISXGVKJSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H]1C ZINC000021521000 171315865 /nfs/dbraw/zinc/31/58/65/171315865.db2.gz BZCZXVZZTAFOCV-GYSYKLTISA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000021521001 171316222 /nfs/dbraw/zinc/31/62/22/171316222.db2.gz BZCZXVZZTAFOCV-WDMOLILDSA-N 1 0 286.246 4.908 10 0 CJAERO CCCC1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000021521128 171316301 /nfs/dbraw/zinc/31/63/01/171316301.db2.gz AXFVISPJGSYJMN-UHFFFAOYSA-N 1 0 284.447 4.659 10 0 CJAERO CCCc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)cc1 ZINC000021786909 171322378 /nfs/dbraw/zinc/32/23/78/171322378.db2.gz UXADZXOLWRQOID-OAHLLOKOSA-N 1 0 285.406 4.672 10 0 CJAERO CCCc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)cc1 ZINC000021786913 171322605 /nfs/dbraw/zinc/32/26/05/171322605.db2.gz UXADZXOLWRQOID-HNNXBMFYSA-N 1 0 285.406 4.672 10 0 CJAERO CC(C)c1ccc(Oc2cccc(F)c2[C@@H](C)[NH3+])cc1 ZINC000021787261 171322973 /nfs/dbraw/zinc/32/29/73/171322973.db2.gz NBNMSUQCSUNJGF-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1ccc(Oc2cccc(F)c2[C@H](C)[NH3+])cc1 ZINC000021787265 171323094 /nfs/dbraw/zinc/32/30/94/171323094.db2.gz NBNMSUQCSUNJGF-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000021787354 171322929 /nfs/dbraw/zinc/32/29/29/171322929.db2.gz LGTQXUVNRCRYGK-CYBMUJFWSA-N 1 0 298.268 4.754 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1Br ZINC000021787358 171322768 /nfs/dbraw/zinc/32/27/68/171322768.db2.gz LGTQXUVNRCRYGK-ZDUSSCGKSA-N 1 0 298.268 4.754 10 0 CJAERO CC(C)c1ccc([C@H](C)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000021787455 171322771 /nfs/dbraw/zinc/32/27/71/171322771.db2.gz LTJXDRWNDPDYKV-KRWDZBQOSA-N 1 0 290.495 4.579 10 0 CJAERO CC(C)c1ccc([C@@H](C)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000021787458 171322933 /nfs/dbraw/zinc/32/29/33/171322933.db2.gz LTJXDRWNDPDYKV-QGZVFWFLSA-N 1 0 290.495 4.579 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@@H]1C ZINC000021787487 171322956 /nfs/dbraw/zinc/32/29/56/171322956.db2.gz CIYMFJLPIPOGPQ-IIDMSEBBSA-N 1 0 273.464 4.898 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)CCC[C@@H]1C ZINC000021787489 171322878 /nfs/dbraw/zinc/32/28/78/171322878.db2.gz CIYMFJLPIPOGPQ-HDMKZQKVSA-N 1 0 273.464 4.898 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)[C@@H]1C ZINC000021787493 171322877 /nfs/dbraw/zinc/32/28/77/171322877.db2.gz CIYMFJLPIPOGPQ-RKVPGOIHSA-N 1 0 273.464 4.898 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000021787496 171322755 /nfs/dbraw/zinc/32/27/55/171322755.db2.gz CIYMFJLPIPOGPQ-DAYGRLMNSA-N 1 0 273.464 4.898 10 0 CJAERO Cc1ccc(C)c([C@@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000021787636 171323019 /nfs/dbraw/zinc/32/30/19/171323019.db2.gz XFINSEUPMOMFAD-FQEVSTJZSA-N 1 0 279.427 4.925 10 0 CJAERO Cc1ccc(C)c([C@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000021787640 171322740 /nfs/dbraw/zinc/32/27/40/171322740.db2.gz XFINSEUPMOMFAD-HXUWFJFHSA-N 1 0 279.427 4.925 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]Cc2cccs2)CC1 ZINC000021787781 171323074 /nfs/dbraw/zinc/32/30/74/171323074.db2.gz CZXTZLAWXFCIGH-UHFFFAOYSA-N 1 0 265.466 4.833 10 0 CJAERO Cc1cc(C)c(C[NH2+]C2CCCCCCC2)c(C)c1 ZINC000021787919 171323063 /nfs/dbraw/zinc/32/30/63/171323063.db2.gz CRTUCPQYWHYIJH-UHFFFAOYSA-N 1 0 259.437 4.814 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)[C@@H]1C ZINC000021787922 171322890 /nfs/dbraw/zinc/32/28/90/171322890.db2.gz LMEWIQUNGTXSQN-OHDICMOHSA-N 1 0 271.448 4.868 10 0 CJAERO C[C@H]1[C@H]([NH2+][C@@H]2CCCCc3ccccc32)CCC[C@@H]1C ZINC000021787925 171322919 /nfs/dbraw/zinc/32/29/19/171322919.db2.gz LMEWIQUNGTXSQN-OSGQAZFXSA-N 1 0 271.448 4.868 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)[C@@H]1C ZINC000021787927 171322825 /nfs/dbraw/zinc/32/28/25/171322825.db2.gz LMEWIQUNGTXSQN-VVWQDTPRSA-N 1 0 271.448 4.868 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000021787930 171323035 /nfs/dbraw/zinc/32/30/35/171323035.db2.gz LMEWIQUNGTXSQN-QGWWYQLQSA-N 1 0 271.448 4.868 10 0 CJAERO c1csc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000021788051 171322946 /nfs/dbraw/zinc/32/29/46/171322946.db2.gz MSQNSJSPGSFFJC-UHFFFAOYSA-N 1 0 293.435 4.747 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]CCC2=CCCCC2)cc1C ZINC000021788494 171323502 /nfs/dbraw/zinc/32/35/02/171323502.db2.gz KIRUMPRQCBMNSF-MRXNPFEDSA-N 1 0 257.421 4.845 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]CCC2=CCCCC2)cc1C ZINC000021788498 171323271 /nfs/dbraw/zinc/32/32/71/171323271.db2.gz KIRUMPRQCBMNSF-INIZCTEOSA-N 1 0 257.421 4.845 10 0 CJAERO CCC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000021788564 171323254 /nfs/dbraw/zinc/32/32/54/171323254.db2.gz QULSLSQRSIQBKF-MRXNPFEDSA-N 1 0 283.415 4.544 10 0 CJAERO CCC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000021788568 171323301 /nfs/dbraw/zinc/32/33/01/171323301.db2.gz QULSLSQRSIQBKF-INIZCTEOSA-N 1 0 283.415 4.544 10 0 CJAERO Cc1ccc(C)c(Sc2ccc(F)cc2[C@@H](C)[NH3+])c1 ZINC000021788637 171323231 /nfs/dbraw/zinc/32/32/31/171323231.db2.gz PFORXJNESWATQH-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(C)c(Sc2ccc(F)cc2[C@H](C)[NH3+])c1 ZINC000021788640 171323461 /nfs/dbraw/zinc/32/34/61/171323461.db2.gz PFORXJNESWATQH-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO Clc1ccccc1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000021788738 171323339 /nfs/dbraw/zinc/32/33/39/171323339.db2.gz FPSBHAJPEJJBEL-GOSISDBHSA-N 1 0 285.818 4.897 10 0 CJAERO Clc1ccccc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000021788742 171323186 /nfs/dbraw/zinc/32/31/86/171323186.db2.gz FPSBHAJPEJJBEL-SFHVURJKSA-N 1 0 285.818 4.897 10 0 CJAERO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000021788841 171323453 /nfs/dbraw/zinc/32/34/53/171323453.db2.gz CIOMBCQUILKYEG-VQIMIIECSA-N 1 0 267.416 4.839 10 0 CJAERO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000021788845 171323247 /nfs/dbraw/zinc/32/32/47/171323247.db2.gz CIOMBCQUILKYEG-APWZRJJASA-N 1 0 267.416 4.839 10 0 CJAERO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000021788848 171323318 /nfs/dbraw/zinc/32/33/18/171323318.db2.gz CIOMBCQUILKYEG-QFBILLFUSA-N 1 0 267.416 4.839 10 0 CJAERO CC[C@H]([NH2+]C[C@H](C)c1ccccc1)c1ccc(C)cc1 ZINC000021788852 171323360 /nfs/dbraw/zinc/32/33/60/171323360.db2.gz CIOMBCQUILKYEG-LPHOPBHVSA-N 1 0 267.416 4.839 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)cc1 ZINC000021788901 171323314 /nfs/dbraw/zinc/32/33/14/171323314.db2.gz CQWHPUPUCJDOLD-OAHLLOKOSA-N 1 0 280.198 4.604 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)cc1 ZINC000021788903 171323474 /nfs/dbraw/zinc/32/34/74/171323474.db2.gz CQWHPUPUCJDOLD-HNNXBMFYSA-N 1 0 280.198 4.604 10 0 CJAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1 ZINC000021789197 171323396 /nfs/dbraw/zinc/32/33/96/171323396.db2.gz AJHXAGRTAKBLLN-OAHLLOKOSA-N 1 0 287.472 4.840 10 0 CJAERO CC(C)Cc1ccc([C@H](C)[NH2+]CCc2cccs2)cc1 ZINC000021789200 171323320 /nfs/dbraw/zinc/32/33/20/171323320.db2.gz AJHXAGRTAKBLLN-HNNXBMFYSA-N 1 0 287.472 4.840 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000021789316 171323204 /nfs/dbraw/zinc/32/32/04/171323204.db2.gz RQNNYFZHXGUWOO-CHWSQXEVSA-N 1 0 269.379 4.830 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000021789320 171323256 /nfs/dbraw/zinc/32/32/56/171323256.db2.gz RQNNYFZHXGUWOO-QWHCGFSZSA-N 1 0 269.379 4.830 10 0 CJAERO CC1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000021789342 171323198 /nfs/dbraw/zinc/32/31/98/171323198.db2.gz UQIPHLSUOBOERG-UHFFFAOYSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000021789670 171323211 /nfs/dbraw/zinc/32/32/11/171323211.db2.gz MLSOUTGMAQLRPS-LLVKDONJSA-N 1 0 271.326 4.689 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000021789674 171323419 /nfs/dbraw/zinc/32/34/19/171323419.db2.gz MLSOUTGMAQLRPS-NSHDSACASA-N 1 0 271.326 4.689 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000021789860 171323196 /nfs/dbraw/zinc/32/31/96/171323196.db2.gz ZDOOAZBUQFZMFG-LLVKDONJSA-N 1 0 271.326 4.689 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000021789864 171323245 /nfs/dbraw/zinc/32/32/45/171323245.db2.gz ZDOOAZBUQFZMFG-NSHDSACASA-N 1 0 271.326 4.689 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000021790712 171323964 /nfs/dbraw/zinc/32/39/64/171323964.db2.gz YGJYVCBTYBLPLA-CQSZACIVSA-N 1 0 259.393 4.737 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000021790716 171323977 /nfs/dbraw/zinc/32/39/77/171323977.db2.gz YGJYVCBTYBLPLA-AWEZNQCLSA-N 1 0 259.393 4.737 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccccc1Cl ZINC000021791130 171323709 /nfs/dbraw/zinc/32/37/09/171323709.db2.gz HUJZTRSNVSFLAV-GFCCVEGCSA-N 1 0 251.801 4.713 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1ccccc1Cl ZINC000021791133 171323768 /nfs/dbraw/zinc/32/37/68/171323768.db2.gz HUJZTRSNVSFLAV-LBPRGKRZSA-N 1 0 251.801 4.713 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Sc1ccccc1Cl ZINC000021791451 171324137 /nfs/dbraw/zinc/32/41/37/171324137.db2.gz RCLJCEFAKBWRIP-SNVBAGLBSA-N 1 0 263.793 4.511 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Sc1ccccc1Cl ZINC000021791453 171324177 /nfs/dbraw/zinc/32/41/77/171324177.db2.gz RCLJCEFAKBWRIP-JTQLQIEISA-N 1 0 263.793 4.511 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000021792232 171324328 /nfs/dbraw/zinc/32/43/28/171324328.db2.gz ATGOKYFJGYVQHU-AWEZNQCLSA-N 1 0 265.416 4.937 10 0 CJAERO CC(C)CC(CC(C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000021792235 171324166 /nfs/dbraw/zinc/32/41/66/171324166.db2.gz ATGOKYFJGYVQHU-CQSZACIVSA-N 1 0 265.416 4.937 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H]1C ZINC000021792349 171324330 /nfs/dbraw/zinc/32/43/30/171324330.db2.gz ULPHNYPQLUHJIP-IBEHDNSVSA-N 1 0 251.458 4.616 10 0 CJAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC(C)(C)C1 ZINC000021792352 171324227 /nfs/dbraw/zinc/32/42/27/171324227.db2.gz ULPHNYPQLUHJIP-ZVDSWSACSA-N 1 0 251.458 4.616 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)[C@H]1C ZINC000021792356 171324308 /nfs/dbraw/zinc/32/43/08/171324308.db2.gz ULPHNYPQLUHJIP-RBGFHDKUSA-N 1 0 251.458 4.616 10 0 CJAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC(C)(C)C1 ZINC000021792360 171324357 /nfs/dbraw/zinc/32/43/57/171324357.db2.gz ULPHNYPQLUHJIP-XFIYOXNOSA-N 1 0 251.458 4.616 10 0 CJAERO CCCCOc1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021793616 184536234 /nfs/dbraw/zinc/53/62/34/184536234.db2.gz ZYPAEBPAFGHVIK-MRXNPFEDSA-N 1 0 277.452 4.780 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cc(C)ccc2C)C1 ZINC000021793986 171324717 /nfs/dbraw/zinc/32/47/17/171324717.db2.gz PKWBKZMDZGOGLR-NUJGCVRESA-N 1 0 289.463 4.614 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2cc(C)ccc2C)C1 ZINC000021793992 171324673 /nfs/dbraw/zinc/32/46/73/171324673.db2.gz PKWBKZMDZGOGLR-RYRKJORJSA-N 1 0 289.463 4.614 10 0 CJAERO CCCC1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000021794152 171324885 /nfs/dbraw/zinc/32/48/85/171324885.db2.gz HJUNZHCULAKPDC-UHFFFAOYSA-N 1 0 279.855 4.831 10 0 CJAERO c1coc([C@@H]([NH2+]C2CCCCCC2)c2ccccc2)c1 ZINC000021794537 171324840 /nfs/dbraw/zinc/32/48/40/171324840.db2.gz KSEMVCVOHYHRCN-SFHVURJKSA-N 1 0 269.388 4.681 10 0 CJAERO c1coc([C@H]([NH2+]C2CCCCCC2)c2ccccc2)c1 ZINC000021794541 171324516 /nfs/dbraw/zinc/32/45/16/171324516.db2.gz KSEMVCVOHYHRCN-GOSISDBHSA-N 1 0 269.388 4.681 10 0 CJAERO CCCCCC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000021794953 171324524 /nfs/dbraw/zinc/32/45/24/171324524.db2.gz ZZBURLXOTAGXBH-LJQANCHMSA-N 1 0 283.415 4.652 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(Br)cc1 ZINC000021794978 171324569 /nfs/dbraw/zinc/32/45/69/171324569.db2.gz UTHPBHAYHSGEHW-GFCCVEGCSA-N 1 0 296.252 4.823 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(Br)cc1 ZINC000021794982 171324783 /nfs/dbraw/zinc/32/47/83/171324783.db2.gz UTHPBHAYHSGEHW-LBPRGKRZSA-N 1 0 296.252 4.823 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000021795390 171324598 /nfs/dbraw/zinc/32/45/98/171324598.db2.gz YKLURSWWHOORLP-INIZCTEOSA-N 1 0 267.416 4.969 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000021795394 171324729 /nfs/dbraw/zinc/32/47/29/171324729.db2.gz YKLURSWWHOORLP-MRXNPFEDSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2Cl)s1 ZINC000021795507 171324563 /nfs/dbraw/zinc/32/45/63/171324563.db2.gz BBDHFPXQIQYWDA-ZDUSSCGKSA-N 1 0 286.227 4.665 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2ccc(Cl)cc2Cl)s1 ZINC000021795511 171324491 /nfs/dbraw/zinc/32/44/91/171324491.db2.gz BBDHFPXQIQYWDA-CYBMUJFWSA-N 1 0 286.227 4.665 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000021797624 171325215 /nfs/dbraw/zinc/32/52/15/171325215.db2.gz FASQBXRNDDOILO-SECBINFHSA-N 1 0 282.170 4.805 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000021797627 171325258 /nfs/dbraw/zinc/32/52/58/171325258.db2.gz FASQBXRNDDOILO-VIFPVBQESA-N 1 0 282.170 4.805 10 0 CJAERO CCCCCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000021797819 171325158 /nfs/dbraw/zinc/32/51/58/171325158.db2.gz NLDVUQFVCOYFKJ-LBPRGKRZSA-N 1 0 271.351 4.519 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000021797822 171325128 /nfs/dbraw/zinc/32/51/28/171325128.db2.gz NLDVUQFVCOYFKJ-GFCCVEGCSA-N 1 0 271.351 4.519 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000021798762 171325529 /nfs/dbraw/zinc/32/55/29/171325529.db2.gz KLTJHLIZZFTQET-KGLIPLIRSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000021798767 171325578 /nfs/dbraw/zinc/32/55/78/171325578.db2.gz KLTJHLIZZFTQET-KBPBESRZSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000021798771 171325547 /nfs/dbraw/zinc/32/55/47/171325547.db2.gz KLTJHLIZZFTQET-ZIAGYGMSSA-N 1 0 251.389 4.691 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000021798774 171325536 /nfs/dbraw/zinc/32/55/36/171325536.db2.gz KLTJHLIZZFTQET-UONOGXRCSA-N 1 0 251.389 4.691 10 0 CJAERO C[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000021800392 171325993 /nfs/dbraw/zinc/32/59/93/171325993.db2.gz GCPCCDMETWNELW-LBPRGKRZSA-N 1 0 294.225 4.887 10 0 CJAERO C[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000021800395 171325924 /nfs/dbraw/zinc/32/59/24/171325924.db2.gz GCPCCDMETWNELW-GFCCVEGCSA-N 1 0 294.225 4.887 10 0 CJAERO CCC1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000021800725 171325792 /nfs/dbraw/zinc/32/57/92/171325792.db2.gz LKVBPTWIPXBGPO-JFUPDXTOSA-N 1 0 257.421 4.622 10 0 CJAERO CCC1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000021800727 171325868 /nfs/dbraw/zinc/32/58/68/171325868.db2.gz LKVBPTWIPXBGPO-PVARCSIZSA-N 1 0 257.421 4.622 10 0 CJAERO C[C@@H](Nc1cc[nH+]cc1)c1ccc(Cl)cc1Cl ZINC000021800838 171325969 /nfs/dbraw/zinc/32/59/69/171325969.db2.gz OVSGMHTWJRGJSL-SECBINFHSA-N 1 0 267.159 4.562 10 0 CJAERO C[C@H](Nc1cc[nH+]cc1)c1ccc(Cl)cc1Cl ZINC000021800840 171325815 /nfs/dbraw/zinc/32/58/15/171325815.db2.gz OVSGMHTWJRGJSL-VIFPVBQESA-N 1 0 267.159 4.562 10 0 CJAERO Cc1cc(C)c(C[NH2+]CCC2=CCCCC2)c(C)c1 ZINC000021801687 171326328 /nfs/dbraw/zinc/32/63/28/171326328.db2.gz ORPAKEMTJIEJFZ-UHFFFAOYSA-N 1 0 257.421 4.592 10 0 CJAERO CCCC[C@@H]([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000021801801 171326129 /nfs/dbraw/zinc/32/61/29/171326129.db2.gz PXRSKYRAAZOEAP-MRXNPFEDSA-N 1 0 277.408 4.908 10 0 CJAERO CCCC[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1 ZINC000021801803 171326047 /nfs/dbraw/zinc/32/60/47/171326047.db2.gz PXRSKYRAAZOEAP-INIZCTEOSA-N 1 0 277.408 4.908 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000021801808 171326158 /nfs/dbraw/zinc/32/61/58/171326158.db2.gz VXRVEBAHLFMZOM-CQSZACIVSA-N 1 0 271.379 4.800 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2F)cc1 ZINC000021801811 171326070 /nfs/dbraw/zinc/32/60/70/171326070.db2.gz VXRVEBAHLFMZOM-AWEZNQCLSA-N 1 0 271.379 4.800 10 0 CJAERO CCC(CC)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021804014 171326844 /nfs/dbraw/zinc/32/68/44/171326844.db2.gz WTMZSIRHSSNBHP-UHFFFAOYSA-N 1 0 274.235 4.562 10 0 CJAERO c1ccc2cc(C[NH2+]C3CCCCCC3)ccc2c1 ZINC000021804206 171326639 /nfs/dbraw/zinc/32/66/39/171326639.db2.gz FOMZYBUPADFNPX-UHFFFAOYSA-N 1 0 253.389 4.652 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1Cl ZINC000021804222 171326625 /nfs/dbraw/zinc/32/66/25/171326625.db2.gz FJKZCBAARKDUEL-FRRDWIJNSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1Cl ZINC000021804224 171326776 /nfs/dbraw/zinc/32/67/76/171326776.db2.gz FJKZCBAARKDUEL-RWMBFGLXSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1Cl ZINC000021804226 171326606 /nfs/dbraw/zinc/32/66/06/171326606.db2.gz FJKZCBAARKDUEL-AGIUHOORSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1Cl ZINC000021804228 171326693 /nfs/dbraw/zinc/32/66/93/171326693.db2.gz FJKZCBAARKDUEL-AVGNSLFASA-N 1 0 251.801 4.569 10 0 CJAERO CC1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000021804490 171326583 /nfs/dbraw/zinc/32/65/83/171326583.db2.gz JQSIMMSKKQDHDW-UHFFFAOYSA-N 1 0 253.389 4.508 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc(C(C)(C)C)cc1 ZINC000021804521 171326521 /nfs/dbraw/zinc/32/65/21/171326521.db2.gz PHPWNOQJDLGMGR-CYBMUJFWSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@H]([NH3+])c1ccccc1Oc1ccc(C(C)(C)C)cc1 ZINC000021804524 171326819 /nfs/dbraw/zinc/32/68/19/171326819.db2.gz PHPWNOQJDLGMGR-ZDUSSCGKSA-N 1 0 269.388 4.796 10 0 CJAERO CC(C)c1ccc(Oc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000021804599 171326748 /nfs/dbraw/zinc/32/67/48/171326748.db2.gz NOUCHGBSZVEIRX-CYBMUJFWSA-N 1 0 255.361 4.622 10 0 CJAERO CC(C)c1ccc(Oc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000021804602 171326855 /nfs/dbraw/zinc/32/68/55/171326855.db2.gz NOUCHGBSZVEIRX-ZDUSSCGKSA-N 1 0 255.361 4.622 10 0 CJAERO Clc1ccc(CC[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000021804612 171327241 /nfs/dbraw/zinc/32/72/41/171327241.db2.gz GABKTAWERSCTHR-UHFFFAOYSA-N 1 0 295.813 4.826 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021804665 171327199 /nfs/dbraw/zinc/32/71/99/171327199.db2.gz IIZDOUKEKCLDSU-LLVKDONJSA-N 1 0 293.769 4.908 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1cccc(F)c1[C@H](C)[NH3+] ZINC000021804668 171327030 /nfs/dbraw/zinc/32/70/30/171327030.db2.gz IIZDOUKEKCLDSU-NSHDSACASA-N 1 0 293.769 4.908 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000021804784 171327009 /nfs/dbraw/zinc/32/70/09/171327009.db2.gz WMYKAGDRHCXNMR-AVERBVTBSA-N 1 0 285.353 4.935 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000021804786 171326962 /nfs/dbraw/zinc/32/69/62/171326962.db2.gz WMYKAGDRHCXNMR-MQYJIDSJSA-N 1 0 285.353 4.935 10 0 CJAERO CCCCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000021804812 171327081 /nfs/dbraw/zinc/32/70/81/171327081.db2.gz UKQMGABGXCOCJY-IBGZPJMESA-N 1 0 267.416 4.750 10 0 CJAERO CCCCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000021804814 171327116 /nfs/dbraw/zinc/32/71/16/171327116.db2.gz UKQMGABGXCOCJY-LJQANCHMSA-N 1 0 267.416 4.750 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021804820 171326946 /nfs/dbraw/zinc/32/69/46/171326946.db2.gz MFTBBPVPYBWMMY-HZPDHXFCSA-N 1 0 267.416 4.703 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021804823 171327089 /nfs/dbraw/zinc/32/70/89/171327089.db2.gz MFTBBPVPYBWMMY-CVEARBPZSA-N 1 0 267.416 4.703 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021804826 171327192 /nfs/dbraw/zinc/32/71/92/171327192.db2.gz MFTBBPVPYBWMMY-JKSUJKDBSA-N 1 0 267.416 4.703 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021804828 171326940 /nfs/dbraw/zinc/32/69/40/171326940.db2.gz MFTBBPVPYBWMMY-HOTGVXAUSA-N 1 0 267.416 4.703 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000021804997 171327127 /nfs/dbraw/zinc/32/71/27/171327127.db2.gz NHARYIXMBOUCPV-GDBMZVCRSA-N 1 0 284.447 4.515 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000021805000 171327149 /nfs/dbraw/zinc/32/71/49/171327149.db2.gz NHARYIXMBOUCPV-GOEBONIOSA-N 1 0 284.447 4.515 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000021805003 171326999 /nfs/dbraw/zinc/32/69/99/171326999.db2.gz NHARYIXMBOUCPV-ZBFHGGJFSA-N 1 0 284.447 4.515 10 0 CJAERO C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000021805006 171327056 /nfs/dbraw/zinc/32/70/56/171327056.db2.gz NHARYIXMBOUCPV-HOCLYGCPSA-N 1 0 284.447 4.515 10 0 CJAERO CCCCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000021805011 171327053 /nfs/dbraw/zinc/32/70/53/171327053.db2.gz FCJOZGJEAYJODB-QGZVFWFLSA-N 1 0 257.377 4.539 10 0 CJAERO CC[C@@H](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000021805030 171327148 /nfs/dbraw/zinc/32/71/48/171327148.db2.gz SVPKZUAQHVGHPT-XWIAVFTESA-N 1 0 271.379 4.655 10 0 CJAERO CC[C@H](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000021805033 171327203 /nfs/dbraw/zinc/32/72/03/171327203.db2.gz SVPKZUAQHVGHPT-VHSSKADRSA-N 1 0 271.379 4.655 10 0 CJAERO CC[C@@H](C)[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000021805035 171326944 /nfs/dbraw/zinc/32/69/44/171326944.db2.gz SVPKZUAQHVGHPT-BVGQSLNGSA-N 1 0 271.379 4.655 10 0 CJAERO CC[C@H](C)[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000021805038 171327111 /nfs/dbraw/zinc/32/71/11/171327111.db2.gz SVPKZUAQHVGHPT-KKXDTOCCSA-N 1 0 271.379 4.655 10 0 CJAERO CC(C)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000021805043 171327057 /nfs/dbraw/zinc/32/70/57/171327057.db2.gz OFIVPTHRGSNTMN-INIZCTEOSA-N 1 0 283.415 4.572 10 0 CJAERO CC(C)C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000021805046 171327252 /nfs/dbraw/zinc/32/72/52/171327252.db2.gz OFIVPTHRGSNTMN-MRXNPFEDSA-N 1 0 283.415 4.572 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000021805300 171327237 /nfs/dbraw/zinc/32/72/37/171327237.db2.gz QQYZGMHHJJGVAQ-GFCCVEGCSA-N 1 0 273.342 4.620 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000021805302 171327091 /nfs/dbraw/zinc/32/70/91/171327091.db2.gz QQYZGMHHJJGVAQ-LBPRGKRZSA-N 1 0 273.342 4.620 10 0 CJAERO CC(C)CCO[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021805485 171327418 /nfs/dbraw/zinc/32/74/18/171327418.db2.gz GMZVRIYHBUABAU-DLBZAZTESA-N 1 0 269.473 4.660 10 0 CJAERO CC(C)CCO[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021805488 171327550 /nfs/dbraw/zinc/32/75/50/171327550.db2.gz GMZVRIYHBUABAU-IRXDYDNUSA-N 1 0 269.473 4.660 10 0 CJAERO CC(C)CCO[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021805491 171327440 /nfs/dbraw/zinc/32/74/40/171327440.db2.gz GMZVRIYHBUABAU-IAGOWNOFSA-N 1 0 269.473 4.660 10 0 CJAERO CC(C)CCO[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021805494 171327619 /nfs/dbraw/zinc/32/76/19/171327619.db2.gz GMZVRIYHBUABAU-SJORKVTESA-N 1 0 269.473 4.660 10 0 CJAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000021805550 262458551 /nfs/dbraw/zinc/45/85/51/262458551.db2.gz TUAKBBHJBYQNJC-KBPBESRZSA-N 1 0 289.369 4.637 10 0 CJAERO Cc1cc(C)c(C[NH2+]C[C@H](C)c2ccccc2)c(C)c1 ZINC000021805627 171327653 /nfs/dbraw/zinc/32/76/53/171327653.db2.gz RJALXDHSDHGHDH-KRWDZBQOSA-N 1 0 267.416 4.505 10 0 CJAERO Cc1cc(C)c(C[NH2+]C[C@@H](C)c2ccccc2)c(C)c1 ZINC000021805630 171327609 /nfs/dbraw/zinc/32/76/09/171327609.db2.gz RJALXDHSDHGHDH-QGZVFWFLSA-N 1 0 267.416 4.505 10 0 CJAERO C[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(Cl)cc1 ZINC000021806227 171327371 /nfs/dbraw/zinc/32/73/71/171327371.db2.gz NVYFJYIFJZVHNR-CYBMUJFWSA-N 1 0 263.812 4.881 10 0 CJAERO C[C@H]([NH2+]CCC1=CCCCC1)c1ccc(Cl)cc1 ZINC000021806230 171327596 /nfs/dbraw/zinc/32/75/96/171327596.db2.gz NVYFJYIFJZVHNR-ZDUSSCGKSA-N 1 0 263.812 4.881 10 0 CJAERO CCCCc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000021806249 171327384 /nfs/dbraw/zinc/32/73/84/171327384.db2.gz DLLJTNXCYVWVFO-QGZVFWFLSA-N 1 0 273.807 4.731 10 0 CJAERO CCCCc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000021806251 171327446 /nfs/dbraw/zinc/32/74/46/171327446.db2.gz DLLJTNXCYVWVFO-KRWDZBQOSA-N 1 0 273.807 4.731 10 0 CJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccccc1C(C)(C)C ZINC000021806448 171327344 /nfs/dbraw/zinc/32/73/44/171327344.db2.gz ILBJDSCQWRQLHJ-GFCCVEGCSA-N 1 0 287.378 4.935 10 0 CJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1ccccc1C(C)(C)C ZINC000021806450 171327543 /nfs/dbraw/zinc/32/75/43/171327543.db2.gz ILBJDSCQWRQLHJ-LBPRGKRZSA-N 1 0 287.378 4.935 10 0 CJAERO CC(C)c1cccc(Oc2cccc(F)c2[C@@H](C)[NH3+])c1 ZINC000021806458 171327486 /nfs/dbraw/zinc/32/74/86/171327486.db2.gz HWHMITVNTWAMKY-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1cccc(Oc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000021806460 171327586 /nfs/dbraw/zinc/32/75/86/171327586.db2.gz HWHMITVNTWAMKY-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1ccccc1Cl ZINC000021806806 171327877 /nfs/dbraw/zinc/32/78/77/171327877.db2.gz IZLNACUSHGPXNU-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1ccccc1Cl ZINC000021806808 171327749 /nfs/dbraw/zinc/32/77/49/171327749.db2.gz IZLNACUSHGPXNU-VIFPVBQESA-N 1 0 281.783 4.650 10 0 CJAERO C[C@@H]([NH2+]CCc1cccs1)c1cccc2ccccc21 ZINC000021807662 171328308 /nfs/dbraw/zinc/32/83/08/171328308.db2.gz HEMXBTBEHDNTAF-CQSZACIVSA-N 1 0 281.424 4.795 10 0 CJAERO C[C@H]([NH2+]CCc1cccs1)c1cccc2ccccc21 ZINC000021807665 171328188 /nfs/dbraw/zinc/32/81/88/171328188.db2.gz HEMXBTBEHDNTAF-AWEZNQCLSA-N 1 0 281.424 4.795 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000021807793 171328331 /nfs/dbraw/zinc/32/83/31/171328331.db2.gz QJUQXGDJFLVNTD-QGZVFWFLSA-N 1 0 261.453 4.918 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000021807796 171328396 /nfs/dbraw/zinc/32/83/96/171328396.db2.gz QJUQXGDJFLVNTD-KRWDZBQOSA-N 1 0 261.453 4.918 10 0 CJAERO CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)cc1 ZINC000021807820 171328313 /nfs/dbraw/zinc/32/83/13/171328313.db2.gz LWYTTZBZQJPNIM-OAHLLOKOSA-N 1 0 263.812 4.569 10 0 CJAERO CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)cc1 ZINC000021807823 171328157 /nfs/dbraw/zinc/32/81/57/171328157.db2.gz LWYTTZBZQJPNIM-HNNXBMFYSA-N 1 0 263.812 4.569 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccccc2F)c(C)c1 ZINC000021808092 171328291 /nfs/dbraw/zinc/32/82/91/171328291.db2.gz QLSKGZNENMOKLE-MRXNPFEDSA-N 1 0 285.406 4.644 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccccc2F)c(C)c1 ZINC000021808095 171328374 /nfs/dbraw/zinc/32/83/74/171328374.db2.gz QLSKGZNENMOKLE-INIZCTEOSA-N 1 0 285.406 4.644 10 0 CJAERO CCCC[C@H](CC)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000021808252 171328297 /nfs/dbraw/zinc/32/82/97/171328297.db2.gz ANFOJQVMPMOHNB-CABCVRRESA-N 1 0 263.425 4.562 10 0 CJAERO CC(C)c1ccccc1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021808303 171328211 /nfs/dbraw/zinc/32/82/11/171328211.db2.gz JBVWPMNUJFMXNA-GFCCVEGCSA-N 1 0 273.351 4.761 10 0 CJAERO CC(C)c1ccccc1Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000021808306 171328402 /nfs/dbraw/zinc/32/84/02/171328402.db2.gz JBVWPMNUJFMXNA-LBPRGKRZSA-N 1 0 273.351 4.761 10 0 CJAERO Cc1ccc(Sc2ccc([C@@H](C)[NH3+])cc2F)c(C)c1 ZINC000021808308 171328105 /nfs/dbraw/zinc/32/81/05/171328105.db2.gz IZSTZFKHVHRKET-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(Sc2ccc([C@H](C)[NH3+])cc2F)c(C)c1 ZINC000021808311 171328251 /nfs/dbraw/zinc/32/82/51/171328251.db2.gz IZSTZFKHVHRKET-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1cccc2ccccc21 ZINC000021808924 171328500 /nfs/dbraw/zinc/32/85/00/171328500.db2.gz FPWSMGQJENWTBO-GFCCVEGCSA-N 1 0 281.330 4.791 10 0 CJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1cccc2ccccc21 ZINC000021808927 171328661 /nfs/dbraw/zinc/32/86/61/171328661.db2.gz FPWSMGQJENWTBO-LBPRGKRZSA-N 1 0 281.330 4.791 10 0 CJAERO CCc1ccc([C@@H]([NH3+])CCC2CCCCC2)s1 ZINC000021809277 171328568 /nfs/dbraw/zinc/32/85/68/171328568.db2.gz LVFGNRZRROPGML-AWEZNQCLSA-N 1 0 251.439 4.671 10 0 CJAERO CCc1ccc([C@H]([NH3+])CCC2CCCCC2)s1 ZINC000021809279 171328553 /nfs/dbraw/zinc/32/85/53/171328553.db2.gz LVFGNRZRROPGML-CQSZACIVSA-N 1 0 251.439 4.671 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000021809336 171328494 /nfs/dbraw/zinc/32/84/94/171328494.db2.gz GCWVAPIMIMFPMG-SQWLQELKSA-N 1 0 263.425 4.707 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000021809337 171328581 /nfs/dbraw/zinc/32/85/81/171328581.db2.gz GCWVAPIMIMFPMG-OFQRWUPVSA-N 1 0 263.425 4.707 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000021809339 171328600 /nfs/dbraw/zinc/32/86/00/171328600.db2.gz GCWVAPIMIMFPMG-LZWOXQAQSA-N 1 0 263.425 4.707 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000021809341 171328572 /nfs/dbraw/zinc/32/85/72/171328572.db2.gz GCWVAPIMIMFPMG-DZKIICNBSA-N 1 0 263.425 4.707 10 0 CJAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000021809441 171328558 /nfs/dbraw/zinc/32/85/58/171328558.db2.gz IDNPRNBSXIASPW-VXGBXAGGSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000021809443 171328598 /nfs/dbraw/zinc/32/85/98/171328598.db2.gz IDNPRNBSXIASPW-ODOQXGPZSA-N 1 0 285.353 4.620 10 0 CJAERO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000021809446 171328737 /nfs/dbraw/zinc/32/87/37/171328737.db2.gz IDNPRNBSXIASPW-RYUDHWBXSA-N 1 0 285.353 4.620 10 0 CJAERO CC[C@@H](C)SCc1ccc(-c2ccccc2C(N)=[NH2+])cc1 ZINC000021809489 171328603 /nfs/dbraw/zinc/32/86/03/171328603.db2.gz KPHPAXKPZYQHPO-CYBMUJFWSA-N 1 0 298.455 4.669 10 0 CJAERO CC[C@H](C)SCc1ccc(-c2ccccc2C(N)=[NH2+])cc1 ZINC000021809492 171328555 /nfs/dbraw/zinc/32/85/55/171328555.db2.gz KPHPAXKPZYQHPO-ZDUSSCGKSA-N 1 0 298.455 4.669 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1C(F)(F)F ZINC000021810368 171328900 /nfs/dbraw/zinc/32/89/00/171328900.db2.gz HHTSWPJXAKVMLL-HUBLWGQQSA-N 1 0 285.353 4.935 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1C(F)(F)F ZINC000021810372 171328789 /nfs/dbraw/zinc/32/87/89/171328789.db2.gz HHTSWPJXAKVMLL-SLEUVZQESA-N 1 0 285.353 4.935 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000021810387 171328861 /nfs/dbraw/zinc/32/88/61/171328861.db2.gz GVTDMRFMZQCRTJ-UEKVPHQBSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1C ZINC000021810388 171328790 /nfs/dbraw/zinc/32/87/90/171328790.db2.gz GVTDMRFMZQCRTJ-FIXISWKDSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000021810390 171328929 /nfs/dbraw/zinc/32/89/29/171328929.db2.gz GVTDMRFMZQCRTJ-HFAKWTLXSA-N 1 0 286.246 4.908 10 0 CJAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000021810391 171328813 /nfs/dbraw/zinc/32/88/13/171328813.db2.gz GVTDMRFMZQCRTJ-RWSFTLGLSA-N 1 0 286.246 4.908 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000021810577 171328840 /nfs/dbraw/zinc/32/88/40/171328840.db2.gz PNWRHRWGWHTDCW-FHERZECASA-N 1 0 263.425 4.549 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000021810579 171328885 /nfs/dbraw/zinc/32/88/85/171328885.db2.gz PNWRHRWGWHTDCW-QQFBHYJXSA-N 1 0 263.425 4.549 10 0 CJAERO Cc1cc([C@@H](C)[NH2+]C2CCCCCC2)c(C)s1 ZINC000021810687 171329081 /nfs/dbraw/zinc/32/90/81/171329081.db2.gz HXTVJXCFYFRIJX-GFCCVEGCSA-N 1 0 251.439 4.738 10 0 CJAERO Cc1cc([C@H](C)[NH2+]C2CCCCCC2)c(C)s1 ZINC000021810689 171328866 /nfs/dbraw/zinc/32/88/66/171328866.db2.gz HXTVJXCFYFRIJX-LBPRGKRZSA-N 1 0 251.439 4.738 10 0 CJAERO Cc1cc(C)c([C@@H]([NH3+])c2ccc(Cl)cc2Cl)c(C)c1 ZINC000021810705 171329019 /nfs/dbraw/zinc/32/90/19/171329019.db2.gz DUJRKZUCWRIGEP-INIZCTEOSA-N 1 0 294.225 4.967 10 0 CJAERO Cc1cc(C)c([C@H]([NH3+])c2ccc(Cl)cc2Cl)c(C)c1 ZINC000021810707 171328975 /nfs/dbraw/zinc/32/89/75/171328975.db2.gz DUJRKZUCWRIGEP-MRXNPFEDSA-N 1 0 294.225 4.967 10 0 CJAERO CC(C)c1ccc(Sc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000021810849 171329024 /nfs/dbraw/zinc/32/90/24/171329024.db2.gz QSDJUIGYFNFALL-CYBMUJFWSA-N 1 0 271.429 4.981 10 0 CJAERO CC(C)c1ccc(Sc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000021810851 171328930 /nfs/dbraw/zinc/32/89/30/171328930.db2.gz QSDJUIGYFNFALL-ZDUSSCGKSA-N 1 0 271.429 4.981 10 0 CJAERO C[C@@H]([NH2+]CCc1ccccc1)c1cccc2ccccc21 ZINC000021811014 171329059 /nfs/dbraw/zinc/32/90/59/171329059.db2.gz BJQPEINVSBTTEY-MRXNPFEDSA-N 1 0 275.395 4.733 10 0 CJAERO C[C@H]([NH2+]CCc1ccccc1)c1cccc2ccccc21 ZINC000021811016 171329176 /nfs/dbraw/zinc/32/91/76/171329176.db2.gz BJQPEINVSBTTEY-INIZCTEOSA-N 1 0 275.395 4.733 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021811067 171329418 /nfs/dbraw/zinc/32/94/18/171329418.db2.gz SUJBTWSMEJAOPE-YYAJDYIMSA-N 1 0 289.463 4.951 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021811069 171329354 /nfs/dbraw/zinc/32/93/54/171329354.db2.gz SUJBTWSMEJAOPE-PASDCYSWSA-N 1 0 289.463 4.951 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021811071 171329388 /nfs/dbraw/zinc/32/93/88/171329388.db2.gz SUJBTWSMEJAOPE-OLMMMNRUSA-N 1 0 289.463 4.951 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021811072 171329192 /nfs/dbraw/zinc/32/91/92/171329192.db2.gz SUJBTWSMEJAOPE-DRMAHVMPSA-N 1 0 289.463 4.951 10 0 CJAERO c1ccc(CCC[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000021811103 171329246 /nfs/dbraw/zinc/32/92/46/171329246.db2.gz XMXVTATYLPRZIO-UHFFFAOYSA-N 1 0 275.395 4.562 10 0 CJAERO Cc1ccc(C)c([C@@H]([NH3+])c2cc(Cl)ccc2Cl)c1 ZINC000021811146 171329458 /nfs/dbraw/zinc/32/94/58/171329458.db2.gz WJCXKZWEQTZNIG-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc(C)c([C@H]([NH3+])c2cc(Cl)ccc2Cl)c1 ZINC000021811148 171329316 /nfs/dbraw/zinc/32/93/16/171329316.db2.gz WJCXKZWEQTZNIG-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO C[C@@H]([NH2+]CCCc1ccccc1)c1cccc(Cl)c1 ZINC000021811222 171329227 /nfs/dbraw/zinc/32/92/27/171329227.db2.gz GLZWISHGIVKZCL-CQSZACIVSA-N 1 0 273.807 4.623 10 0 CJAERO C[C@H]([NH2+]CCCc1ccccc1)c1cccc(Cl)c1 ZINC000021811224 171329487 /nfs/dbraw/zinc/32/94/87/171329487.db2.gz GLZWISHGIVKZCL-AWEZNQCLSA-N 1 0 273.807 4.623 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021811246 171329430 /nfs/dbraw/zinc/32/94/30/171329430.db2.gz QFUNSDBJFJUUIP-WVZRYYJFSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021811248 171329385 /nfs/dbraw/zinc/32/93/85/171329385.db2.gz QFUNSDBJFJUUIP-WBOJAVRRSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021811250 171329401 /nfs/dbraw/zinc/32/94/01/171329401.db2.gz QFUNSDBJFJUUIP-LOUJCGABSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021811251 171329366 /nfs/dbraw/zinc/32/93/66/171329366.db2.gz QFUNSDBJFJUUIP-CFAJVAMVSA-N 1 0 293.426 4.685 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC(C)(C)C1 ZINC000021811432 171329287 /nfs/dbraw/zinc/32/92/87/171329287.db2.gz ZCFNICGEVATSDI-TZMCWYRMSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC(C)(C)C1 ZINC000021811433 171329331 /nfs/dbraw/zinc/32/93/31/171329331.db2.gz ZCFNICGEVATSDI-GXTWGEPZSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)CC(C)(C)C1 ZINC000021811435 171329381 /nfs/dbraw/zinc/32/93/81/171329381.db2.gz ZCFNICGEVATSDI-OCCSQVGLSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)CC(C)(C)C1 ZINC000021811437 171329391 /nfs/dbraw/zinc/32/93/91/171329391.db2.gz ZCFNICGEVATSDI-JSGCOSHPSA-N 1 0 297.389 4.592 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000021811816 171329409 /nfs/dbraw/zinc/32/94/09/171329409.db2.gz PSLNQAXNUWSBBP-GFCCVEGCSA-N 1 0 287.378 4.935 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1 ZINC000021811818 171329326 /nfs/dbraw/zinc/32/93/26/171329326.db2.gz PSLNQAXNUWSBBP-LBPRGKRZSA-N 1 0 287.378 4.935 10 0 CJAERO CCCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000021811924 171329368 /nfs/dbraw/zinc/32/93/68/171329368.db2.gz CLMPWSBBEDNGRY-UHFFFAOYSA-N 1 0 251.373 4.536 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000021811982 171329464 /nfs/dbraw/zinc/32/94/64/171329464.db2.gz JAOWENOHWKPYPA-YGRLFVJLSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000021811983 171329245 /nfs/dbraw/zinc/32/92/45/171329245.db2.gz JAOWENOHWKPYPA-HZMBPMFUSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000021811984 171329394 /nfs/dbraw/zinc/32/93/94/171329394.db2.gz JAOWENOHWKPYPA-QMTHXVAHSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000021811985 171329397 /nfs/dbraw/zinc/32/93/97/171329397.db2.gz JAOWENOHWKPYPA-IINYFYTJSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000021812075 171329760 /nfs/dbraw/zinc/32/97/60/171329760.db2.gz BEPNCRZNLVEDEW-AVERBVTBSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000021812076 171329687 /nfs/dbraw/zinc/32/96/87/171329687.db2.gz BEPNCRZNLVEDEW-MQYJIDSJSA-N 1 0 251.801 4.569 10 0 CJAERO c1ccc(CCC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000021812144 171329786 /nfs/dbraw/zinc/32/97/86/171329786.db2.gz APLJQWCAXVHFEP-UHFFFAOYSA-N 1 0 275.395 4.562 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021812484 171329780 /nfs/dbraw/zinc/32/97/80/171329780.db2.gz VYOCTGNVMCTTKW-GFCCVEGCSA-N 1 0 275.779 4.769 10 0 CJAERO Cc1cc(Cl)cc(C)c1Oc1ccccc1[C@H](C)[NH3+] ZINC000021812485 171329627 /nfs/dbraw/zinc/32/96/27/171329627.db2.gz VYOCTGNVMCTTKW-LBPRGKRZSA-N 1 0 275.779 4.769 10 0 CJAERO COc1ccc2cc(C[NH2+]C3CCCCCC3)ccc2c1 ZINC000021812509 171330055 /nfs/dbraw/zinc/33/00/55/171330055.db2.gz DGIOYPPKUNKLBF-UHFFFAOYSA-N 1 0 283.415 4.661 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000021812707 171329963 /nfs/dbraw/zinc/32/99/63/171329963.db2.gz PLHCIPKLKDELDL-MRXNPFEDSA-N 1 0 275.395 4.999 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000021812708 171330288 /nfs/dbraw/zinc/33/02/88/171330288.db2.gz PLHCIPKLKDELDL-INIZCTEOSA-N 1 0 275.395 4.999 10 0 CJAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000021812714 171330213 /nfs/dbraw/zinc/33/02/13/171330213.db2.gz HNZFONXUWCDDFS-SECBINFHSA-N 1 0 284.230 4.833 10 0 CJAERO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000021812715 171330137 /nfs/dbraw/zinc/33/01/37/171330137.db2.gz HNZFONXUWCDDFS-VIFPVBQESA-N 1 0 284.230 4.833 10 0 CJAERO Cc1ccc(Sc2ccc(F)cc2[C@@H](C)[NH3+])cc1C ZINC000021812719 171330044 /nfs/dbraw/zinc/33/00/44/171330044.db2.gz CDPNDYSIYBOTQJ-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(Sc2ccc(F)cc2[C@H](C)[NH3+])cc1C ZINC000021812720 171330040 /nfs/dbraw/zinc/33/00/40/171330040.db2.gz CDPNDYSIYBOTQJ-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000021812742 171330255 /nfs/dbraw/zinc/33/02/55/171330255.db2.gz CAUBNAISGIHJJD-JQFCIGGWSA-N 1 0 259.437 4.841 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000021812744 171329957 /nfs/dbraw/zinc/32/99/57/171329957.db2.gz CAUBNAISGIHJJD-RRQGHBQHSA-N 1 0 259.437 4.841 10 0 CJAERO CC1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000021812851 171330008 /nfs/dbraw/zinc/33/00/08/171330008.db2.gz ZENOGGLANVLOTN-UHFFFAOYSA-N 1 0 287.378 4.754 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000021812944 171330236 /nfs/dbraw/zinc/33/02/36/171330236.db2.gz CGNHMGHMBLVCNB-MRXNPFEDSA-N 1 0 279.427 4.725 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000021812945 171329977 /nfs/dbraw/zinc/32/99/77/171329977.db2.gz CGNHMGHMBLVCNB-INIZCTEOSA-N 1 0 279.427 4.725 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCCC1)c1c(F)cccc1F ZINC000021813069 171330578 /nfs/dbraw/zinc/33/05/78/171330578.db2.gz VXKTYERFOSRVFP-GFCCVEGCSA-N 1 0 267.363 4.728 10 0 CJAERO C[C@H]([NH2+]C1CCCCCCC1)c1c(F)cccc1F ZINC000021813070 171330511 /nfs/dbraw/zinc/33/05/11/171330511.db2.gz VXKTYERFOSRVFP-LBPRGKRZSA-N 1 0 267.363 4.728 10 0 CJAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021813100 171330565 /nfs/dbraw/zinc/33/05/65/171330565.db2.gz DZDMDSTZHLOVEW-HZPDHXFCSA-N 1 0 283.415 4.540 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021813101 171330727 /nfs/dbraw/zinc/33/07/27/171330727.db2.gz DZDMDSTZHLOVEW-CVEARBPZSA-N 1 0 283.415 4.540 10 0 CJAERO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021813102 171330385 /nfs/dbraw/zinc/33/03/85/171330385.db2.gz DZDMDSTZHLOVEW-JKSUJKDBSA-N 1 0 283.415 4.540 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021813103 171330670 /nfs/dbraw/zinc/33/06/70/171330670.db2.gz DZDMDSTZHLOVEW-HOTGVXAUSA-N 1 0 283.415 4.540 10 0 CJAERO Cc1cc(C)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000021813120 171330589 /nfs/dbraw/zinc/33/05/89/171330589.db2.gz QYDJQMLBXLLHTP-UHFFFAOYSA-N 1 0 283.459 4.670 10 0 CJAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCCCCC1 ZINC000021813130 171330664 /nfs/dbraw/zinc/33/06/64/171330664.db2.gz PIYADFXDQSTULZ-GOSISDBHSA-N 1 0 257.421 4.767 10 0 CJAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000021813131 171330699 /nfs/dbraw/zinc/33/06/99/171330699.db2.gz PIYADFXDQSTULZ-SFHVURJKSA-N 1 0 257.421 4.767 10 0 CJAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000021813294 171330536 /nfs/dbraw/zinc/33/05/36/171330536.db2.gz ZBUTUORWWWDMNC-KBPBESRZSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000021813295 171330628 /nfs/dbraw/zinc/33/06/28/171330628.db2.gz ZBUTUORWWWDMNC-KGLIPLIRSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000021813296 171330435 /nfs/dbraw/zinc/33/04/35/171330435.db2.gz ZBUTUORWWWDMNC-UONOGXRCSA-N 1 0 273.807 4.794 10 0 CJAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000021813297 171330646 /nfs/dbraw/zinc/33/06/46/171330646.db2.gz ZBUTUORWWWDMNC-ZIAGYGMSSA-N 1 0 273.807 4.794 10 0 CJAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000021813368 171330544 /nfs/dbraw/zinc/33/05/44/171330544.db2.gz MMFIDQXPLBUJQF-CABCVRRESA-N 1 0 255.405 4.927 10 0 CJAERO CCC[C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000021813369 171330709 /nfs/dbraw/zinc/33/07/09/171330709.db2.gz MMFIDQXPLBUJQF-GJZGRUSLSA-N 1 0 255.405 4.927 10 0 CJAERO CCC[C@@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000021813370 171330576 /nfs/dbraw/zinc/33/05/76/171330576.db2.gz MMFIDQXPLBUJQF-HUUCEWRRSA-N 1 0 255.405 4.927 10 0 CJAERO CCC[C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000021813371 171330669 /nfs/dbraw/zinc/33/06/69/171330669.db2.gz MMFIDQXPLBUJQF-LSDHHAIUSA-N 1 0 255.405 4.927 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000021813383 171330647 /nfs/dbraw/zinc/33/06/47/171330647.db2.gz HNPFCQWPDAXIEX-ZDUSSCGKSA-N 1 0 253.817 4.644 10 0 CJAERO CC(C)C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000021813423 171330812 /nfs/dbraw/zinc/33/08/12/171330812.db2.gz YTIOBOQBPZYVAD-LJQANCHMSA-N 1 0 267.416 4.606 10 0 CJAERO CC(C)C[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000021813424 171330976 /nfs/dbraw/zinc/33/09/76/171330976.db2.gz YTIOBOQBPZYVAD-IBGZPJMESA-N 1 0 267.416 4.606 10 0 CJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccccc1C(F)(F)F ZINC000021813454 171330787 /nfs/dbraw/zinc/33/07/87/171330787.db2.gz PCSUYDJUAROZPQ-SECBINFHSA-N 1 0 299.267 4.657 10 0 CJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1ccccc1C(F)(F)F ZINC000021813455 171330880 /nfs/dbraw/zinc/33/08/80/171330880.db2.gz PCSUYDJUAROZPQ-VIFPVBQESA-N 1 0 299.267 4.657 10 0 CJAERO CC(C)(C)c1ccc([C@@H]([NH3+])CCC2CCCC2)cc1 ZINC000021813475 171330864 /nfs/dbraw/zinc/33/08/64/171330864.db2.gz DYWXKWUILVUWOA-KRWDZBQOSA-N 1 0 259.437 4.954 10 0 CJAERO CC(C)(C)c1ccc([C@H]([NH3+])CCC2CCCC2)cc1 ZINC000021813476 171330852 /nfs/dbraw/zinc/33/08/52/171330852.db2.gz DYWXKWUILVUWOA-QGZVFWFLSA-N 1 0 259.437 4.954 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 ZINC000021813741 171330968 /nfs/dbraw/zinc/33/09/68/171330968.db2.gz RFLHJDKUDPTABU-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 ZINC000021813742 171330856 /nfs/dbraw/zinc/33/08/56/171330856.db2.gz RFLHJDKUDPTABU-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021813771 171330844 /nfs/dbraw/zinc/33/08/44/171330844.db2.gz QDRNIHALCSHFSU-IZNXWIIVSA-N 1 0 273.464 4.537 10 0 CJAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021813772 171331003 /nfs/dbraw/zinc/33/10/03/171331003.db2.gz QDRNIHALCSHFSU-XJPGRJHWSA-N 1 0 273.464 4.537 10 0 CJAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021813773 171331042 /nfs/dbraw/zinc/33/10/42/171331042.db2.gz QDRNIHALCSHFSU-NTIGLHRHSA-N 1 0 273.464 4.537 10 0 CJAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021813774 171331023 /nfs/dbraw/zinc/33/10/23/171331023.db2.gz QDRNIHALCSHFSU-CENPTBCRSA-N 1 0 273.464 4.537 10 0 CJAERO C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000021813948 171331374 /nfs/dbraw/zinc/33/13/74/171331374.db2.gz YYJLDSDPQIGDQM-ZDUSSCGKSA-N 1 0 293.332 4.599 10 0 CJAERO C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000021813949 171331318 /nfs/dbraw/zinc/33/13/18/171331318.db2.gz YYJLDSDPQIGDQM-CYBMUJFWSA-N 1 0 293.332 4.599 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000021813984 171331201 /nfs/dbraw/zinc/33/12/01/171331201.db2.gz WIVXIWCLJUUTDG-AWEZNQCLSA-N 1 0 271.379 4.800 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000021813985 171331371 /nfs/dbraw/zinc/33/13/71/171331371.db2.gz WIVXIWCLJUUTDG-CQSZACIVSA-N 1 0 271.379 4.800 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000021814077 262460894 /nfs/dbraw/zinc/46/08/94/262460894.db2.gz NZVRRPIALBMGKC-OAHLLOKOSA-N 1 0 283.415 4.669 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000021814078 262460977 /nfs/dbraw/zinc/46/09/77/262460977.db2.gz NZVRRPIALBMGKC-HNNXBMFYSA-N 1 0 283.415 4.669 10 0 CJAERO CCCC(CCC)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000021814188 171331235 /nfs/dbraw/zinc/33/12/35/171331235.db2.gz RARGQBMEBYYOTO-LBPRGKRZSA-N 1 0 253.817 4.959 10 0 CJAERO CCCC(CCC)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000021814189 171331383 /nfs/dbraw/zinc/33/13/83/171331383.db2.gz RARGQBMEBYYOTO-GFCCVEGCSA-N 1 0 253.817 4.959 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021814362 171331580 /nfs/dbraw/zinc/33/15/80/171331580.db2.gz PSGBTMKHVYDMQV-IUODEOHRSA-N 1 0 265.828 4.644 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021814363 171331630 /nfs/dbraw/zinc/33/16/30/171331630.db2.gz PSGBTMKHVYDMQV-SWLSCSKDSA-N 1 0 265.828 4.644 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021814364 171331838 /nfs/dbraw/zinc/33/18/38/171331838.db2.gz PSGBTMKHVYDMQV-DOMZBBRYSA-N 1 0 265.828 4.644 10 0 CJAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC(C)(C)C1 ZINC000021814365 171331648 /nfs/dbraw/zinc/33/16/48/171331648.db2.gz PSGBTMKHVYDMQV-WFASDCNBSA-N 1 0 265.828 4.644 10 0 CJAERO CCCC1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000021814391 171331593 /nfs/dbraw/zinc/33/15/93/171331593.db2.gz KSPRELBLZWULTJ-UHFFFAOYSA-N 1 0 288.460 4.745 10 0 CJAERO CCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021814411 171331753 /nfs/dbraw/zinc/33/17/53/171331753.db2.gz DLTCPAYHEBKDGN-HNNXBMFYSA-N 1 0 253.389 4.804 10 0 CJAERO CCCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000021814412 171331514 /nfs/dbraw/zinc/33/15/14/171331514.db2.gz DLTCPAYHEBKDGN-OAHLLOKOSA-N 1 0 253.389 4.804 10 0 CJAERO Cc1ccc(Sc2ccc([C@@H](C)[NH3+])cc2F)cc1C ZINC000021814515 171331588 /nfs/dbraw/zinc/33/15/88/171331588.db2.gz WPHMWEKEEMTPCV-GFCCVEGCSA-N 1 0 275.392 4.613 10 0 CJAERO Cc1ccc(Sc2ccc([C@H](C)[NH3+])cc2F)cc1C ZINC000021814517 171331603 /nfs/dbraw/zinc/33/16/03/171331603.db2.gz WPHMWEKEEMTPCV-LBPRGKRZSA-N 1 0 275.392 4.613 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021814576 171331587 /nfs/dbraw/zinc/33/15/87/171331587.db2.gz GURHUFWLRBGDAW-APWZRJJASA-N 1 0 279.427 4.944 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021814578 171331765 /nfs/dbraw/zinc/33/17/65/171331765.db2.gz GURHUFWLRBGDAW-LPHOPBHVSA-N 1 0 279.427 4.944 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021814580 171331711 /nfs/dbraw/zinc/33/17/11/171331711.db2.gz GURHUFWLRBGDAW-VQIMIIECSA-N 1 0 279.427 4.944 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000021814581 171331843 /nfs/dbraw/zinc/33/18/43/171331843.db2.gz GURHUFWLRBGDAW-QFBILLFUSA-N 1 0 279.427 4.944 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1Oc1cccc(F)c1 ZINC000021814800 171331536 /nfs/dbraw/zinc/33/15/36/171331536.db2.gz WRLGSCJXCAQRCL-MSOLQXFVSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1Oc1cccc(F)c1 ZINC000021814802 171331716 /nfs/dbraw/zinc/33/17/16/171331716.db2.gz WRLGSCJXCAQRCL-ROUUACIJSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1Oc1cccc(F)c1 ZINC000021814804 171331680 /nfs/dbraw/zinc/33/16/80/171331680.db2.gz WRLGSCJXCAQRCL-QZTJIDSGSA-N 1 0 293.426 4.815 10 0 CJAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1Oc1cccc(F)c1 ZINC000021814806 171331723 /nfs/dbraw/zinc/33/17/23/171331723.db2.gz WRLGSCJXCAQRCL-ZWKOTPCHSA-N 1 0 293.426 4.815 10 0 CJAERO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccccc1Cl ZINC000021814966 171331727 /nfs/dbraw/zinc/33/17/27/171331727.db2.gz CSSYOQIXJBUYDV-TZMCWYRMSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccccc1Cl ZINC000021814968 171331597 /nfs/dbraw/zinc/33/15/97/171331597.db2.gz CSSYOQIXJBUYDV-GXTWGEPZSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccccc1Cl ZINC000021814969 171331790 /nfs/dbraw/zinc/33/17/90/171331790.db2.gz CSSYOQIXJBUYDV-OCCSQVGLSA-N 1 0 253.817 4.644 10 0 CJAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccccc1Cl ZINC000021814971 171331659 /nfs/dbraw/zinc/33/16/59/171331659.db2.gz CSSYOQIXJBUYDV-JSGCOSHPSA-N 1 0 253.817 4.644 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000021815484 171331998 /nfs/dbraw/zinc/33/19/98/171331998.db2.gz ILRNLXYNYMSFBL-OLZOCXBDSA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000021815486 171332157 /nfs/dbraw/zinc/33/21/57/171332157.db2.gz ILRNLXYNYMSFBL-STQMWFEESA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000021815488 171332086 /nfs/dbraw/zinc/33/20/86/171332086.db2.gz ILRNLXYNYMSFBL-CHWSQXEVSA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000021815490 171332123 /nfs/dbraw/zinc/33/21/23/171332123.db2.gz ILRNLXYNYMSFBL-QWHCGFSZSA-N 1 0 298.268 4.924 10 0 CJAERO CCCC[NH2+][C@@H](C)c1ccc(OCCC)c(OCCC)c1 ZINC000021815535 171332164 /nfs/dbraw/zinc/33/21/64/171332164.db2.gz WIBKNKFTCJLCNY-HNNXBMFYSA-N 1 0 293.451 4.715 10 0 CJAERO CCCC[NH2+][C@H](C)c1ccc(OCCC)c(OCCC)c1 ZINC000021815537 171331975 /nfs/dbraw/zinc/33/19/75/171331975.db2.gz WIBKNKFTCJLCNY-OAHLLOKOSA-N 1 0 293.451 4.715 10 0 CJAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000021815632 171332158 /nfs/dbraw/zinc/33/21/58/171332158.db2.gz COPGUHAUWJNYPD-INIZCTEOSA-N 1 0 267.416 4.969 10 0 CJAERO C[C@@H]1CCCC[N@@H+]1C1(CN)CCCCCCCCCCC1 ZINC000021815792 171332004 /nfs/dbraw/zinc/33/20/04/171332004.db2.gz BKTCTJLBNRBMMP-GOSISDBHSA-N 1 0 294.527 4.863 10 0 CJAERO C[C@H]1CCCC[N@@H+]1C1(CN)CCCCCCCCCCC1 ZINC000021815794 171332074 /nfs/dbraw/zinc/33/20/74/171332074.db2.gz BKTCTJLBNRBMMP-SFHVURJKSA-N 1 0 294.527 4.863 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000021815929 171332458 /nfs/dbraw/zinc/33/24/58/171332458.db2.gz KSQIEEMINNBLAN-YVEFUNNKSA-N 1 0 271.791 4.678 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000021815932 171332501 /nfs/dbraw/zinc/33/25/01/171332501.db2.gz KSQIEEMINNBLAN-SJCJKPOMSA-N 1 0 271.791 4.678 10 0 CJAERO CC(C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021816143 171332472 /nfs/dbraw/zinc/33/24/72/171332472.db2.gz KNKMYYABHJPIHR-QFBILLFUSA-N 1 0 289.463 4.780 10 0 CJAERO CC(C)CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021816144 171332461 /nfs/dbraw/zinc/33/24/61/171332461.db2.gz KNKMYYABHJPIHR-LPHOPBHVSA-N 1 0 289.463 4.780 10 0 CJAERO CC(C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000021816147 171332500 /nfs/dbraw/zinc/33/25/00/171332500.db2.gz KNKMYYABHJPIHR-VQIMIIECSA-N 1 0 289.463 4.780 10 0 CJAERO CC(C)CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000021816149 171332591 /nfs/dbraw/zinc/33/25/91/171332591.db2.gz KNKMYYABHJPIHR-APWZRJJASA-N 1 0 289.463 4.780 10 0 CJAERO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000021816280 171332570 /nfs/dbraw/zinc/33/25/70/171332570.db2.gz ZGVAZYIWDUOUFZ-APWZRJJASA-N 1 0 267.416 4.781 10 0 CJAERO CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000021816281 171332600 /nfs/dbraw/zinc/33/26/00/171332600.db2.gz ZGVAZYIWDUOUFZ-LPHOPBHVSA-N 1 0 267.416 4.781 10 0 CJAERO CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000021816283 171332338 /nfs/dbraw/zinc/33/23/38/171332338.db2.gz ZGVAZYIWDUOUFZ-VQIMIIECSA-N 1 0 267.416 4.781 10 0 CJAERO CC[C@H](C)[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000021816285 171332496 /nfs/dbraw/zinc/33/24/96/171332496.db2.gz ZGVAZYIWDUOUFZ-QFBILLFUSA-N 1 0 267.416 4.781 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000021816396 171332395 /nfs/dbraw/zinc/33/23/95/171332395.db2.gz VDUHDPQTAQVVNL-HUBLWGQQSA-N 1 0 285.353 4.935 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000021816400 171332637 /nfs/dbraw/zinc/33/26/37/171332637.db2.gz VDUHDPQTAQVVNL-SLEUVZQESA-N 1 0 285.353 4.935 10 0 CJAERO c1ccc2c(c1)CCC[C@H]2[NH2+]CCC1=CCCCC1 ZINC000021816484 171332414 /nfs/dbraw/zinc/33/24/14/171332414.db2.gz NGIYWOUFCQBTPW-GOSISDBHSA-N 1 0 255.405 4.544 10 0 CJAERO c1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1=CCCCC1 ZINC000021816486 171332558 /nfs/dbraw/zinc/33/25/58/171332558.db2.gz NGIYWOUFCQBTPW-SFHVURJKSA-N 1 0 255.405 4.544 10 0 CJAERO CCCCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021816770 171332842 /nfs/dbraw/zinc/33/28/42/171332842.db2.gz GRIIHBFNJCJMLZ-UHFFFAOYSA-N 1 0 259.437 4.883 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000021816772 171332867 /nfs/dbraw/zinc/33/28/67/171332867.db2.gz NBTIULVHFGGGLP-WBVHZDCISA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000021816774 171333036 /nfs/dbraw/zinc/33/30/36/171333036.db2.gz NBTIULVHFGGGLP-RDJZCZTQSA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000021816775 171332939 /nfs/dbraw/zinc/33/29/39/171332939.db2.gz NBTIULVHFGGGLP-NVXWUHKLSA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000021816777 171332885 /nfs/dbraw/zinc/33/28/85/171332885.db2.gz NBTIULVHFGGGLP-DOTOQJQBSA-N 1 0 277.427 4.563 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000021816881 171332714 /nfs/dbraw/zinc/33/27/14/171332714.db2.gz JTYHSXAPFCBHHB-HUBLWGQQSA-N 1 0 283.362 4.517 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000021816884 171332917 /nfs/dbraw/zinc/33/29/17/171332917.db2.gz JTYHSXAPFCBHHB-SLEUVZQESA-N 1 0 283.362 4.517 10 0 CJAERO CCCc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021817052 171332700 /nfs/dbraw/zinc/33/27/00/171332700.db2.gz LXTSWGZAGWFGFT-SWKXRBFHSA-N 1 0 259.437 4.868 10 0 CJAERO CCCc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021817054 171332932 /nfs/dbraw/zinc/33/29/32/171332932.db2.gz LXTSWGZAGWFGFT-CSLYMUCUSA-N 1 0 259.437 4.868 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000021817134 171333019 /nfs/dbraw/zinc/33/30/19/171333019.db2.gz FPQWZRGYKYYURZ-OLZOCXBDSA-N 1 0 276.449 4.772 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000021817135 171333012 /nfs/dbraw/zinc/33/30/12/171333012.db2.gz FPQWZRGYKYYURZ-STQMWFEESA-N 1 0 276.449 4.772 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000021817137 171332909 /nfs/dbraw/zinc/33/29/09/171332909.db2.gz FPQWZRGYKYYURZ-CHWSQXEVSA-N 1 0 276.449 4.772 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000021817138 171333032 /nfs/dbraw/zinc/33/30/32/171333032.db2.gz FPQWZRGYKYYURZ-QWHCGFSZSA-N 1 0 276.449 4.772 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000021817193 171332829 /nfs/dbraw/zinc/33/28/29/171332829.db2.gz RWLDNNHMLLHHCO-OOHWJJMZSA-N 1 0 274.452 4.727 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000021817194 171332881 /nfs/dbraw/zinc/33/28/81/171332881.db2.gz RWLDNNHMLLHHCO-ODIFPOPNSA-N 1 0 274.452 4.727 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000021817231 171332985 /nfs/dbraw/zinc/33/29/85/171332985.db2.gz ZKUOTBLYXAVUDP-CQSZACIVSA-N 1 0 257.421 4.549 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000021817233 171332724 /nfs/dbraw/zinc/33/27/24/171332724.db2.gz ZKUOTBLYXAVUDP-AWEZNQCLSA-N 1 0 257.421 4.549 10 0 CJAERO CC(C)CC[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021817333 171332711 /nfs/dbraw/zinc/33/27/11/171332711.db2.gz JALBESRRCSZDTC-GOSISDBHSA-N 1 0 253.389 4.790 10 0 CJAERO CC(C)CC[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021817334 171332846 /nfs/dbraw/zinc/33/28/46/171332846.db2.gz JALBESRRCSZDTC-SFHVURJKSA-N 1 0 253.389 4.790 10 0 CJAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000021817336 171332979 /nfs/dbraw/zinc/33/29/79/171332979.db2.gz HQTRRYJFZQZAAW-CYBMUJFWSA-N 1 0 271.404 4.979 10 0 CJAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]C1CCCCC1 ZINC000021817337 171333001 /nfs/dbraw/zinc/33/30/01/171333001.db2.gz HQTRRYJFZQZAAW-ZDUSSCGKSA-N 1 0 271.404 4.979 10 0 CJAERO CCCCC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000021817374 171332920 /nfs/dbraw/zinc/33/29/20/171332920.db2.gz VZSVREXLMQMWQJ-AWEZNQCLSA-N 1 0 284.241 4.680 10 0 CJAERO CCCCC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000021817376 171332863 /nfs/dbraw/zinc/33/28/63/171332863.db2.gz VZSVREXLMQMWQJ-CQSZACIVSA-N 1 0 284.241 4.680 10 0 CJAERO CCCCCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000021817451 171332868 /nfs/dbraw/zinc/33/28/68/171332868.db2.gz ODHVMCBCYDBKCE-ZDUSSCGKSA-N 1 0 251.439 4.639 10 0 CJAERO CCCCCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000021817453 171333016 /nfs/dbraw/zinc/33/30/16/171333016.db2.gz ODHVMCBCYDBKCE-CYBMUJFWSA-N 1 0 251.439 4.639 10 0 CJAERO FC(F)(F)Sc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000021817551 171333329 /nfs/dbraw/zinc/33/33/29/171333329.db2.gz OHLAIACSKMZIHF-UHFFFAOYSA-N 1 0 289.366 4.721 10 0 CJAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cc2ccccc2o1 ZINC000021817661 171333378 /nfs/dbraw/zinc/33/33/78/171333378.db2.gz VARJQVPQZZRWPZ-OWYJLGKBSA-N 1 0 257.377 4.662 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cc2ccccc2o1 ZINC000021817662 171333313 /nfs/dbraw/zinc/33/33/13/171333313.db2.gz VARJQVPQZZRWPZ-JVWICGRDSA-N 1 0 257.377 4.662 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(SC)cc1 ZINC000021818088 171333258 /nfs/dbraw/zinc/33/32/58/171333258.db2.gz WTGKVAWSEDTNGP-CQSZACIVSA-N 1 0 265.466 4.715 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(SC)cc1 ZINC000021818090 171333104 /nfs/dbraw/zinc/33/31/04/171333104.db2.gz WTGKVAWSEDTNGP-AWEZNQCLSA-N 1 0 265.466 4.715 10 0 CJAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000021818396 171333840 /nfs/dbraw/zinc/33/38/40/171333840.db2.gz JUWWKKRDNIPXJT-ZDUSSCGKSA-N 1 0 289.806 4.590 10 0 CJAERO CCOc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000021818398 171333791 /nfs/dbraw/zinc/33/37/91/171333791.db2.gz JUWWKKRDNIPXJT-CYBMUJFWSA-N 1 0 289.806 4.590 10 0 CJAERO CN(C)C(C)(C)C[NH2+]C1CCCCCCCCCCC1 ZINC000021818471 171333694 /nfs/dbraw/zinc/33/36/94/171333694.db2.gz AXLKKZLMRZXQSD-UHFFFAOYSA-N 1 0 282.516 4.590 10 0 CJAERO Cc1cc(Oc2ccccc2[C@@H](C)[NH3+])ccc1C(C)C ZINC000021818621 171333900 /nfs/dbraw/zinc/33/39/00/171333900.db2.gz ATXBGXBYHQIWAX-CQSZACIVSA-N 1 0 269.388 4.930 10 0 CJAERO Cc1cc(Oc2ccccc2[C@H](C)[NH3+])ccc1C(C)C ZINC000021818623 171333863 /nfs/dbraw/zinc/33/38/63/171333863.db2.gz ATXBGXBYHQIWAX-AWEZNQCLSA-N 1 0 269.388 4.930 10 0 CJAERO CCCCCOc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000021818638 171333740 /nfs/dbraw/zinc/33/37/40/171333740.db2.gz JYQDODDFFPGAHE-UHFFFAOYSA-N 1 0 263.425 4.534 10 0 CJAERO c1cc(C[NH2+]C2CCCCCCCCCCC2)ccn1 ZINC000021818849 171333848 /nfs/dbraw/zinc/33/38/48/171333848.db2.gz LMXABBPRPLGFTA-UHFFFAOYSA-N 1 0 274.452 4.845 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000021819070 171333638 /nfs/dbraw/zinc/33/36/38/171333638.db2.gz ICMDCHUGCIUQCS-KMFMINBZSA-N 1 0 279.855 4.890 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000021819072 171333774 /nfs/dbraw/zinc/33/37/74/171333774.db2.gz ICMDCHUGCIUQCS-QRTARXTBSA-N 1 0 279.855 4.890 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000021819074 171333845 /nfs/dbraw/zinc/33/38/45/171333845.db2.gz ICMDCHUGCIUQCS-UNEWFSDZSA-N 1 0 279.855 4.890 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000021819076 171333576 /nfs/dbraw/zinc/33/35/76/171333576.db2.gz ICMDCHUGCIUQCS-LXZKKBNFSA-N 1 0 279.855 4.890 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000021819423 171334018 /nfs/dbraw/zinc/33/40/18/171334018.db2.gz RDAUCHWARJZJFY-CBCUQQMYSA-N 1 0 263.400 4.835 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000021819425 171334066 /nfs/dbraw/zinc/33/40/66/171334066.db2.gz RDAUCHWARJZJFY-TUBUQKNSSA-N 1 0 263.400 4.835 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(Cl)cc1 ZINC000021819445 171334153 /nfs/dbraw/zinc/33/41/53/171334153.db2.gz ZUQJQFMXMNRACA-GFCCVEGCSA-N 1 0 251.801 4.713 10 0 CJAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(Cl)cc1 ZINC000021819447 171334249 /nfs/dbraw/zinc/33/42/49/171334249.db2.gz ZUQJQFMXMNRACA-LBPRGKRZSA-N 1 0 251.801 4.713 10 0 CJAERO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)c1cccc(Cl)c1 ZINC000021819513 171334139 /nfs/dbraw/zinc/33/41/39/171334139.db2.gz WUZCTMQFCXBENQ-UPJWGTAASA-N 1 0 265.828 4.815 10 0 CJAERO C[C@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021819515 171334116 /nfs/dbraw/zinc/33/41/16/171334116.db2.gz WUZCTMQFCXBENQ-IVMGVGPUSA-N 1 0 265.828 4.815 10 0 CJAERO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000021819518 171334297 /nfs/dbraw/zinc/33/42/97/171334297.db2.gz WUZCTMQFCXBENQ-AVGNSLFASA-N 1 0 265.828 4.815 10 0 CJAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000021819649 171334047 /nfs/dbraw/zinc/33/40/47/171334047.db2.gz BKLYLWGSBHEUMY-QGZVFWFLSA-N 1 0 273.807 4.587 10 0 CJAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000021819651 171334179 /nfs/dbraw/zinc/33/41/79/171334179.db2.gz BKLYLWGSBHEUMY-KRWDZBQOSA-N 1 0 273.807 4.587 10 0 CJAERO FC(F)(F)c1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000021819705 171334060 /nfs/dbraw/zinc/33/40/60/171334060.db2.gz BPCZOPWKNQHVLQ-UHFFFAOYSA-N 1 0 285.353 4.908 10 0 CJAERO c1ccc(C([NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000021819791 171334208 /nfs/dbraw/zinc/33/42/08/171334208.db2.gz MZKJOSVDTBWEAW-UHFFFAOYSA-N 1 0 265.400 4.698 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000021819917 171334019 /nfs/dbraw/zinc/33/40/19/171334019.db2.gz GKWVWAPORPURBB-YGRLFVJLSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000021819919 171334243 /nfs/dbraw/zinc/33/42/43/171334243.db2.gz GKWVWAPORPURBB-HZMBPMFUSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000021819921 171334210 /nfs/dbraw/zinc/33/42/10/171334210.db2.gz GKWVWAPORPURBB-QMTHXVAHSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000021819922 171334065 /nfs/dbraw/zinc/33/40/65/171334065.db2.gz GKWVWAPORPURBB-IINYFYTJSA-N 1 0 272.219 4.662 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)s1 ZINC000021820091 171334510 /nfs/dbraw/zinc/33/45/10/171334510.db2.gz QDWUTKGSVZSLLN-ZDUSSCGKSA-N 1 0 286.227 4.665 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)cc(Cl)c2)s1 ZINC000021820093 171334611 /nfs/dbraw/zinc/33/46/11/171334611.db2.gz QDWUTKGSVZSLLN-CYBMUJFWSA-N 1 0 286.227 4.665 10 0 CJAERO CC(C)(C)c1[nH]c2ccc(NCC3CCCCC3)cc2[nH+]1 ZINC000021820112 171334476 /nfs/dbraw/zinc/33/44/76/171334476.db2.gz MMGBOHPGAMCVHX-UHFFFAOYSA-N 1 0 285.435 4.853 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021820113 171334490 /nfs/dbraw/zinc/33/44/90/171334490.db2.gz MWQCKKHCNKWOMG-ONUSSAAZSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021820115 171334602 /nfs/dbraw/zinc/33/46/02/171334602.db2.gz MWQCKKHCNKWOMG-GGKPKWOWSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021820116 171334632 /nfs/dbraw/zinc/33/46/32/171334632.db2.gz MWQCKKHCNKWOMG-HRJSJKBJSA-N 1 0 293.426 4.685 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021820118 171334707 /nfs/dbraw/zinc/33/47/07/171334707.db2.gz MWQCKKHCNKWOMG-OJIVJNGMSA-N 1 0 293.426 4.685 10 0 CJAERO c1ccc(C[NH+](Cc2ccccc2)[C@@H]2C=CCCC2)cc1 ZINC000022004794 171348697 /nfs/dbraw/zinc/34/86/97/171348697.db2.gz QHWGQBZLGREBEF-HXUWFJFHSA-N 1 0 277.411 4.798 10 0 CJAERO c1ccc(C[NH+](Cc2ccccc2)[C@H]2C=CCCC2)cc1 ZINC000022004799 171348611 /nfs/dbraw/zinc/34/86/11/171348611.db2.gz QHWGQBZLGREBEF-FQEVSTJZSA-N 1 0 277.411 4.798 10 0 CJAERO CCCc1ccc2c(c1)CC[C@H]1[C@](C)(C[NH3+])CCC[C@]21C ZINC000022055498 171351401 /nfs/dbraw/zinc/35/14/01/171351401.db2.gz GWCJWLXMNCMNTG-SLFFLAALSA-N 1 0 285.475 4.608 10 0 in-vitro CJAERO Cc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000022146363 171356904 /nfs/dbraw/zinc/35/69/04/171356904.db2.gz SGPAPDAGAAQQRR-LJQANCHMSA-N 1 0 265.400 4.552 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000022146368 171356614 /nfs/dbraw/zinc/35/66/14/171356614.db2.gz SGPAPDAGAAQQRR-IBGZPJMESA-N 1 0 265.400 4.552 10 0 CJAERO CC(C)(C)CC(C)(C)c1ccc(O[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000022146383 171356829 /nfs/dbraw/zinc/35/68/29/171356829.db2.gz LFTNCJUIMPZYNK-DLBZAZTESA-N 1 0 289.463 4.659 10 0 CJAERO CC(C)(C)CC(C)(C)c1ccc(O[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000022146385 171356628 /nfs/dbraw/zinc/35/66/28/171356628.db2.gz LFTNCJUIMPZYNK-IRXDYDNUSA-N 1 0 289.463 4.659 10 0 CJAERO CC(C)(C)CC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000022146389 171356743 /nfs/dbraw/zinc/35/67/43/171356743.db2.gz LFTNCJUIMPZYNK-IAGOWNOFSA-N 1 0 289.463 4.659 10 0 CJAERO CC(C)(C)CC(C)(C)c1ccc(O[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000022146394 171356808 /nfs/dbraw/zinc/35/68/08/171356808.db2.gz LFTNCJUIMPZYNK-SJORKVTESA-N 1 0 289.463 4.659 10 0 CJAERO c1ccc(-c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)cc1 ZINC000022146457 171356791 /nfs/dbraw/zinc/35/67/91/171356791.db2.gz CVCBXGKPHVEQPO-UHFFFAOYSA-N 1 0 277.411 4.632 10 0 CJAERO Clc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)s1 ZINC000022146583 171356895 /nfs/dbraw/zinc/35/68/95/171356895.db2.gz RWUUSKHBAPZOKB-CQSZACIVSA-N 1 0 277.820 4.569 10 0 CJAERO Clc1ccc(C[NH2+][C@H]2CCCc3ccccc32)s1 ZINC000022146587 171356651 /nfs/dbraw/zinc/35/66/51/171356651.db2.gz RWUUSKHBAPZOKB-AWEZNQCLSA-N 1 0 277.820 4.569 10 0 CJAERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000022146995 171356793 /nfs/dbraw/zinc/35/67/93/171356793.db2.gz OWOCEMXOYIACKV-BASYENTBSA-N 1 0 275.436 4.561 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000022146999 171356824 /nfs/dbraw/zinc/35/68/24/171356824.db2.gz OWOCEMXOYIACKV-LDDOYCOJSA-N 1 0 275.436 4.561 10 0 CJAERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000022147004 171356685 /nfs/dbraw/zinc/35/66/85/171356685.db2.gz OWOCEMXOYIACKV-FSZRXZPDSA-N 1 0 275.436 4.561 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000022147008 171356661 /nfs/dbraw/zinc/35/66/61/171356661.db2.gz OWOCEMXOYIACKV-LLDVTBCESA-N 1 0 275.436 4.561 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CCCC(C)C)s1 ZINC000022147134 171357100 /nfs/dbraw/zinc/35/71/00/171357100.db2.gz NJYFAWQNYQNLJK-OCCSQVGLSA-N 1 0 253.455 4.922 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCC(C)C)s1 ZINC000022147139 171357334 /nfs/dbraw/zinc/35/73/34/171357334.db2.gz NJYFAWQNYQNLJK-JSGCOSHPSA-N 1 0 253.455 4.922 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCC(C)C)s1 ZINC000022147144 171357265 /nfs/dbraw/zinc/35/72/65/171357265.db2.gz NJYFAWQNYQNLJK-TZMCWYRMSA-N 1 0 253.455 4.922 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)s1 ZINC000022147148 171357316 /nfs/dbraw/zinc/35/73/16/171357316.db2.gz NJYFAWQNYQNLJK-GXTWGEPZSA-N 1 0 253.455 4.922 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1cc(Cl)ccc1Cl ZINC000022148099 171357608 /nfs/dbraw/zinc/35/76/08/171357608.db2.gz XCXNPQKDQRTACN-SNVBAGLBSA-N 1 0 272.219 4.977 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1cc(Cl)ccc1Cl ZINC000022148103 171357697 /nfs/dbraw/zinc/35/76/97/171357697.db2.gz XCXNPQKDQRTACN-JTQLQIEISA-N 1 0 272.219 4.977 10 0 CJAERO CC1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000022148279 171357690 /nfs/dbraw/zinc/35/76/90/171357690.db2.gz AKFUWWRMTAOYNZ-JFUPDXTOSA-N 1 0 257.421 4.622 10 0 CJAERO CC1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000022148283 171357763 /nfs/dbraw/zinc/35/77/63/171357763.db2.gz AKFUWWRMTAOYNZ-PVARCSIZSA-N 1 0 257.421 4.622 10 0 CJAERO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1cccs1 ZINC000022148547 171357640 /nfs/dbraw/zinc/35/76/40/171357640.db2.gz PGICUPNYTKHACM-CQSZACIVSA-N 1 0 279.836 4.685 10 0 CJAERO CC[C@H]([NH2+]CCc1ccc(Cl)cc1)c1cccs1 ZINC000022148550 171357679 /nfs/dbraw/zinc/35/76/79/171357679.db2.gz PGICUPNYTKHACM-AWEZNQCLSA-N 1 0 279.836 4.685 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C12CC3CC(CC(C3)C1)C2 ZINC000022148560 171357546 /nfs/dbraw/zinc/35/75/46/171357546.db2.gz NIEADHWJTRGQLE-JYFSRGQHSA-N 1 0 275.480 4.760 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C12CC3CC(CC(C3)C1)C2 ZINC000022148568 171357661 /nfs/dbraw/zinc/35/76/61/171357661.db2.gz NIEADHWJTRGQLE-FCUZTIEGSA-N 1 0 275.480 4.760 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)c(C)c1 ZINC000022149049 171357974 /nfs/dbraw/zinc/35/79/74/171357974.db2.gz QHUUKZLAGADNQP-OAHLLOKOSA-N 1 0 280.198 4.658 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)c(C)c1 ZINC000022149053 171357948 /nfs/dbraw/zinc/35/79/48/171357948.db2.gz QHUUKZLAGADNQP-HNNXBMFYSA-N 1 0 280.198 4.658 10 0 CJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(C(C)(C)C)cc1 ZINC000022150092 171358334 /nfs/dbraw/zinc/35/83/34/171358334.db2.gz BNXJJGNTLVJPCC-CQSZACIVSA-N 1 0 259.437 4.967 10 0 CJAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(C(C)(C)C)cc1 ZINC000022150096 171358236 /nfs/dbraw/zinc/35/82/36/171358236.db2.gz BNXJJGNTLVJPCC-AWEZNQCLSA-N 1 0 259.437 4.967 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000022150251 171358194 /nfs/dbraw/zinc/35/81/94/171358194.db2.gz FPXBNCROZRBSKU-MRXNPFEDSA-N 1 0 267.416 4.969 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000022150255 171358330 /nfs/dbraw/zinc/35/83/30/171358330.db2.gz FPXBNCROZRBSKU-INIZCTEOSA-N 1 0 267.416 4.969 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000022151054 171358668 /nfs/dbraw/zinc/35/86/68/171358668.db2.gz UGKIHOSKSIDZJB-QQFBHYJXSA-N 1 0 289.463 4.951 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000022151056 171358496 /nfs/dbraw/zinc/35/84/96/171358496.db2.gz UGKIHOSKSIDZJB-FHERZECASA-N 1 0 289.463 4.951 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000022151480 171358670 /nfs/dbraw/zinc/35/86/70/171358670.db2.gz SGQZKEVBLFUUGB-OLZOCXBDSA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000022151484 171358484 /nfs/dbraw/zinc/35/84/84/171358484.db2.gz SGQZKEVBLFUUGB-STQMWFEESA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000022151488 171358560 /nfs/dbraw/zinc/35/85/60/171358560.db2.gz SGQZKEVBLFUUGB-CHWSQXEVSA-N 1 0 298.268 4.924 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000022151491 171358415 /nfs/dbraw/zinc/35/84/15/171358415.db2.gz SGQZKEVBLFUUGB-QWHCGFSZSA-N 1 0 298.268 4.924 10 0 CJAERO CC1CCC([NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000022151615 171358898 /nfs/dbraw/zinc/35/88/98/171358898.db2.gz RXFXMGFCPJDUEE-UHFFFAOYSA-N 1 0 271.448 4.881 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000022151782 171359262 /nfs/dbraw/zinc/35/92/62/171359262.db2.gz TYNDFWQBSVDCID-VIFPVBQESA-N 1 0 260.208 4.833 10 0 CJAERO CCC(CC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000022151786 171359314 /nfs/dbraw/zinc/35/93/14/171359314.db2.gz TYNDFWQBSVDCID-SECBINFHSA-N 1 0 260.208 4.833 10 0 CJAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000022151881 171359032 /nfs/dbraw/zinc/35/90/32/171359032.db2.gz DRUPEVRESAWVRN-MRXNPFEDSA-N 1 0 267.416 4.736 10 0 CJAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000022151884 171359210 /nfs/dbraw/zinc/35/92/10/171359210.db2.gz DRUPEVRESAWVRN-INIZCTEOSA-N 1 0 267.416 4.736 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cccc(Cl)c2Cl)cc1 ZINC000022152383 171359753 /nfs/dbraw/zinc/35/97/53/171359753.db2.gz YVMJDGCVXHFGAK-OAHLLOKOSA-N 1 0 280.198 4.604 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cccc(Cl)c2Cl)cc1 ZINC000022152386 171359645 /nfs/dbraw/zinc/35/96/45/171359645.db2.gz YVMJDGCVXHFGAK-HNNXBMFYSA-N 1 0 280.198 4.604 10 0 CJAERO CC(C)c1cccc(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000022152514 171359399 /nfs/dbraw/zinc/35/93/99/171359399.db2.gz UUSBFKLNJOCJJD-CYBMUJFWSA-N 1 0 255.361 4.622 10 0 CJAERO CC(C)c1cccc(Oc2ccccc2[C@H](C)[NH3+])c1 ZINC000022152518 171359810 /nfs/dbraw/zinc/35/98/10/171359810.db2.gz UUSBFKLNJOCJJD-ZDUSSCGKSA-N 1 0 255.361 4.622 10 0 CJAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc2ccccc21 ZINC000022152525 171359424 /nfs/dbraw/zinc/35/94/24/171359424.db2.gz DKGYQUBWSUISFO-CVEARBPZSA-N 1 0 265.400 4.847 10 0 CJAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc2ccccc21 ZINC000022152528 171359656 /nfs/dbraw/zinc/35/96/56/171359656.db2.gz DKGYQUBWSUISFO-HOTGVXAUSA-N 1 0 265.400 4.847 10 0 CJAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc2ccccc21 ZINC000022152532 171359511 /nfs/dbraw/zinc/35/95/11/171359511.db2.gz DKGYQUBWSUISFO-HZPDHXFCSA-N 1 0 265.400 4.847 10 0 CJAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc2ccccc21 ZINC000022152536 171359417 /nfs/dbraw/zinc/35/94/17/171359417.db2.gz DKGYQUBWSUISFO-JKSUJKDBSA-N 1 0 265.400 4.847 10 0 CJAERO CC1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022152914 171360040 /nfs/dbraw/zinc/36/00/40/171360040.db2.gz PXZOOVGRVBUFGY-UHFFFAOYSA-N 1 0 272.219 4.662 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000022153033 171360225 /nfs/dbraw/zinc/36/02/25/171360225.db2.gz JHHYWXAXVBQXHT-GFCCVEGCSA-N 1 0 288.262 4.950 10 0 CJAERO CC(C)CC[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000022153037 171360261 /nfs/dbraw/zinc/36/02/61/171360261.db2.gz JHHYWXAXVBQXHT-LBPRGKRZSA-N 1 0 288.262 4.950 10 0 CJAERO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000022153296 171360056 /nfs/dbraw/zinc/36/00/56/171360056.db2.gz RFHHBKXDSZPIQF-QLFBSQMISA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000022153300 171360012 /nfs/dbraw/zinc/36/00/12/171360012.db2.gz RFHHBKXDSZPIQF-SOUVJXGZSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000022153304 171360015 /nfs/dbraw/zinc/36/00/15/171360015.db2.gz RFHHBKXDSZPIQF-ILXRZTDVSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1ccccc1OC ZINC000022153308 171360227 /nfs/dbraw/zinc/36/02/27/171360227.db2.gz RFHHBKXDSZPIQF-KKUMJFAQSA-N 1 0 263.425 4.561 10 0 CJAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)(C)CC)cc1 ZINC000022153387 171360640 /nfs/dbraw/zinc/36/06/40/171360640.db2.gz UGTMRBICLHFHCR-IAGOWNOFSA-N 1 0 277.452 4.659 10 0 CJAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)(C)CC)cc1 ZINC000022153391 171360624 /nfs/dbraw/zinc/36/06/24/171360624.db2.gz UGTMRBICLHFHCR-DLBZAZTESA-N 1 0 277.452 4.659 10 0 CJAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(C(C)(C)CC)cc1 ZINC000022153395 171360602 /nfs/dbraw/zinc/36/06/02/171360602.db2.gz UGTMRBICLHFHCR-SJORKVTESA-N 1 0 277.452 4.659 10 0 CJAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc(C(C)(C)CC)cc1 ZINC000022153398 171360784 /nfs/dbraw/zinc/36/07/84/171360784.db2.gz UGTMRBICLHFHCR-IRXDYDNUSA-N 1 0 277.452 4.659 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000022153747 171360594 /nfs/dbraw/zinc/36/05/94/171360594.db2.gz CRZZMGUYBXLLHH-LSZNHBMWSA-N 1 0 273.420 4.535 10 0 CJAERO C[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000022153749 171360840 /nfs/dbraw/zinc/36/08/40/171360840.db2.gz CRZZMGUYBXLLHH-ZAOZSLGCSA-N 1 0 273.420 4.535 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccco1 ZINC000022153753 171360537 /nfs/dbraw/zinc/36/05/37/171360537.db2.gz CRZZMGUYBXLLHH-DAZFMJRUSA-N 1 0 273.420 4.535 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000022153757 171360518 /nfs/dbraw/zinc/36/05/18/171360518.db2.gz CRZZMGUYBXLLHH-YIUBPGBESA-N 1 0 273.420 4.535 10 0 CJAERO Cc1ccc(C[NH2+]C2CCC(C(C)(C)C)CC2)cc1 ZINC000022154147 171361473 /nfs/dbraw/zinc/36/14/73/171361473.db2.gz IDTJBNPWYAYUTB-UHFFFAOYSA-N 1 0 259.437 4.690 10 0 CJAERO CC(C)(C)[NH2+]C[C@@H](c1ccccc1)C1CCCCC1 ZINC000027748391 171531509 /nfs/dbraw/zinc/53/15/09/171531509.db2.gz LZBXQIXSHCYROX-KRWDZBQOSA-N 1 0 259.437 4.739 10 0 CJAERO C(CC12CC3CC(CC(C3)C1)C2)[NH2+]C1CCCCC1 ZINC000027757879 171531742 /nfs/dbraw/zinc/53/17/42/171531742.db2.gz QSLDUJUQDNZYDV-UHFFFAOYSA-N 1 0 261.453 4.515 10 0 CJAERO C[N@H+](C/C=C/c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000028247859 171553512 /nfs/dbraw/zinc/55/35/12/171553512.db2.gz WQYVGOMEZYNNSE-OJLWIZQOSA-N 1 0 277.411 4.709 10 0 CJAERO C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc21 ZINC000029314374 567884126 /nfs/dbraw/zinc/88/41/26/567884126.db2.gz LLMOMOOMHWFGRN-WMLDXEAASA-N 1 0 271.791 4.526 10 0 in-vitro CJAERO C[C@H]1CCC[C@@](c2ccccc2)([NH+]2CCCCC2)C1 ZINC000029345458 171595059 /nfs/dbraw/zinc/59/50/59/171595059.db2.gz VSKMDQWCLVIXCA-FUHWJXTLSA-N 1 0 257.421 4.578 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c(C)c1 ZINC000031771527 171646385 /nfs/dbraw/zinc/64/63/85/171646385.db2.gz CRPYGWGYNPTJPD-YQVWRLOYSA-N 1 0 271.448 4.608 10 0 CJAERO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)c1ccccc1 ZINC000032240993 171722053 /nfs/dbraw/zinc/72/20/53/171722053.db2.gz RUMPMAITHQREGT-HDICACEKSA-N 1 0 253.389 4.879 10 0 CJAERO CC[C@H]([NH2+][C@@H](CC)c1ccccc1)c1ccccc1 ZINC000032240996 171721989 /nfs/dbraw/zinc/72/19/89/171721989.db2.gz RUMPMAITHQREGT-ROUUACIJSA-N 1 0 253.389 4.879 10 0 CJAERO CC[C@@H]([NH2+][C@H](CC)c1ccccc1)c1ccccc1 ZINC000032240999 171721976 /nfs/dbraw/zinc/72/19/76/171721976.db2.gz RUMPMAITHQREGT-QZTJIDSGSA-N 1 0 253.389 4.879 10 0 CJAERO CCCCCCOc1ccc2ccccc2c1C[NH2+]CC ZINC000033442696 171802671 /nfs/dbraw/zinc/80/26/71/171802671.db2.gz MDXQOBQXGJVMAQ-UHFFFAOYSA-N 1 0 285.431 4.908 10 0 CJAERO CC[NH2+]Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000033449088 171803691 /nfs/dbraw/zinc/80/36/91/171803691.db2.gz DJTYJALNZYRTAK-UHFFFAOYSA-N 1 0 296.197 4.895 10 0 CJAERO [NH3+]C1(c2cc(Cl)ccc2Cl)CCCCCC1 ZINC000033487419 171806615 /nfs/dbraw/zinc/80/66/15/171806615.db2.gz YWLYDFVALIQAAJ-UHFFFAOYSA-N 1 0 258.192 4.502 10 0 CJAERO [NH3+]C1(c2ccc(Cl)c(Cl)c2)CCCCCC1 ZINC000033487425 171806343 /nfs/dbraw/zinc/80/63/43/171806343.db2.gz DBHMLYRQYZKWOH-UHFFFAOYSA-N 1 0 258.192 4.502 10 0 CJAERO CC(C)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000033867365 171823363 /nfs/dbraw/zinc/82/33/63/171823363.db2.gz RHWGOUVZSMFSDK-OAHLLOKOSA-N 1 0 251.801 4.523 10 0 CJAERO CCC[C@H](c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000033867369 171823478 /nfs/dbraw/zinc/82/34/78/171823478.db2.gz SFLHQZPVCGIGHF-OAHLLOKOSA-N 1 0 251.801 4.667 10 0 CJAERO CCC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000033867374 171823647 /nfs/dbraw/zinc/82/36/47/171823647.db2.gz VGCISOSZBRAJAZ-INIZCTEOSA-N 1 0 265.828 4.913 10 0 CJAERO Cc1ccc(Sc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000034003654 171829593 /nfs/dbraw/zinc/82/95/93/171829593.db2.gz CVASBKDYSQKLSO-UHFFFAOYSA-N 1 0 283.440 4.613 10 0 in-man CJAERO CCCC1([NH+]2CCCC2)CC(C)(C)CC(C)(C)C1 ZINC000034147636 171832612 /nfs/dbraw/zinc/83/26/12/171832612.db2.gz LODZBBPOQRJCTJ-UHFFFAOYSA-N 1 0 251.458 4.857 10 0 CJAERO CC[C@]1(C)CC(C)(C)C[C@@](C)([NH+]2CCCCC2)C1 ZINC000034147637 171832706 /nfs/dbraw/zinc/83/27/06/171832706.db2.gz GGNAAPJJLQXQJX-IAGOWNOFSA-N 1 0 251.458 4.857 10 0 CJAERO CC[C@@]1(C)CC(C)(C)C[C@@](C)([NH+]2CCCCC2)C1 ZINC000034147638 171832550 /nfs/dbraw/zinc/83/25/50/171832550.db2.gz GGNAAPJJLQXQJX-DLBZAZTESA-N 1 0 251.458 4.857 10 0 CJAERO [NH3+][C@@H](CCCc1cccc2ccccc21)c1ccccc1 ZINC000034331245 171837144 /nfs/dbraw/zinc/83/71/44/171837144.db2.gz NIYYRLVZMGBFAS-FQEVSTJZSA-N 1 0 275.395 4.863 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000034652376 171847843 /nfs/dbraw/zinc/84/78/43/171847843.db2.gz DWXOXJJJDQTMDB-UHFFFAOYSA-N 1 0 265.809 4.568 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000034652694 171847602 /nfs/dbraw/zinc/84/76/02/171847602.db2.gz ZJJJQFZTNMRHPT-UHFFFAOYSA-N 1 0 299.361 4.934 10 0 CJAERO FC(F)(F)c1ccc(-c2ccc(C[NH2+]C3CC3)s2)cc1 ZINC000034652698 171847571 /nfs/dbraw/zinc/84/75/71/171847571.db2.gz BNJZTLZMPZDCGB-UHFFFAOYSA-N 1 0 297.345 4.686 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Oc2ccccc2Cl)c(F)c1 ZINC000034665860 171853946 /nfs/dbraw/zinc/85/39/46/171853946.db2.gz CMGZDPNNWSPITA-SNVBAGLBSA-N 1 0 279.742 4.552 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2c(C)ccc(C)c2C)cc1 ZINC000034666370 171854640 /nfs/dbraw/zinc/85/46/40/171854640.db2.gz HIYLRIBLSIYABZ-HNNXBMFYSA-N 1 0 269.388 4.685 10 0 CJAERO C[NH2+][C@@H](C)c1ccccc1Sc1ccc(Cl)cc1 ZINC000034666491 171854741 /nfs/dbraw/zinc/85/47/41/171854741.db2.gz SYFBJYDJYPFIPZ-NSHDSACASA-N 1 0 277.820 4.772 10 0 CJAERO C[NH2+][C@@H](C)c1c(F)cccc1Sc1ccccc1Cl ZINC000034666637 171855408 /nfs/dbraw/zinc/85/54/08/171855408.db2.gz UABDCIJQSVQUJA-JTQLQIEISA-N 1 0 295.810 4.911 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1Sc1nc(C)cs1 ZINC000034669030 171855992 /nfs/dbraw/zinc/85/59/92/171855992.db2.gz DTXCEIKMINQEDI-LBPRGKRZSA-N 1 0 292.473 4.663 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1Sc1nc(C)cs1 ZINC000034669032 171855677 /nfs/dbraw/zinc/85/56/77/171855677.db2.gz DTXCEIKMINQEDI-GFCCVEGCSA-N 1 0 292.473 4.663 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1Sc1cccs1 ZINC000034669168 171856038 /nfs/dbraw/zinc/85/60/38/171856038.db2.gz JNZACFOCKHBIBE-LBPRGKRZSA-N 1 0 277.458 4.960 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(Sc2cccs2)cc1 ZINC000034669189 171856032 /nfs/dbraw/zinc/85/60/32/171856032.db2.gz HJHXOKSPXXWTAE-LLVKDONJSA-N 1 0 263.431 4.570 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(SCC(C)C)c(F)c1 ZINC000034669307 171856083 /nfs/dbraw/zinc/85/60/83/171856083.db2.gz FJILBBKTFVMNTC-LBPRGKRZSA-N 1 0 269.429 4.634 10 0 CJAERO Cc1ccc(-c2ccc(C[NH2+]C3CC3)s2)cc1Cl ZINC000034670538 171856404 /nfs/dbraw/zinc/85/64/04/171856404.db2.gz SKESMJZSHPYXPN-UHFFFAOYSA-N 1 0 277.820 4.629 10 0 CJAERO Cc1cccc(-c2ccc(C[NH2+]C(C)C)s2)c1C ZINC000034670631 171856883 /nfs/dbraw/zinc/85/68/83/171856883.db2.gz AUUZSAJEAAHBAP-UHFFFAOYSA-N 1 0 259.418 4.530 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2cccc(C)c2C)s1 ZINC000034670633 171856812 /nfs/dbraw/zinc/85/68/12/171856812.db2.gz MRAJOMBGRKNHGA-UHFFFAOYSA-N 1 0 259.418 4.532 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2ccc(C)cc2C)s1 ZINC000034670772 171856743 /nfs/dbraw/zinc/85/67/43/171856743.db2.gz WMRBVIINTPPBQE-UHFFFAOYSA-N 1 0 259.418 4.532 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2ccc(C)c(C)c2)s1 ZINC000034670782 171856775 /nfs/dbraw/zinc/85/67/75/171856775.db2.gz RZIMZRHTXBOLRK-UHFFFAOYSA-N 1 0 259.418 4.532 10 0 CJAERO Cc1cc(Cl)ccc1-c1ccc(C[NH2+]C2CC2)s1 ZINC000034671068 171856857 /nfs/dbraw/zinc/85/68/57/171856857.db2.gz ULRLEFFVNNMNNF-UHFFFAOYSA-N 1 0 277.820 4.629 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2ccccc2Cl)s1)C(C)C ZINC000034671153 171856848 /nfs/dbraw/zinc/85/68/48/171856848.db2.gz ZPRFGKGSHSJXEN-HNNXBMFYSA-N 1 0 279.836 4.985 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccccc2Cl)s1 ZINC000034671177 171856989 /nfs/dbraw/zinc/85/69/89/171856989.db2.gz KJSXERRBMFIPNW-GFCCVEGCSA-N 1 0 265.809 4.739 10 0 CJAERO CCC[C@H]([NH2+]C)c1ccc(-c2ccc(C)cc2)s1 ZINC000034671217 171857304 /nfs/dbraw/zinc/85/73/04/171857304.db2.gz WHYDIOQBWFEHCG-AWEZNQCLSA-N 1 0 259.418 4.784 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(C)cc2)s1 ZINC000034671224 171857108 /nfs/dbraw/zinc/85/71/08/171857108.db2.gz HQRDTPYEXUYXGO-AWEZNQCLSA-N 1 0 259.418 4.784 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(-c2ccc(C)cc2)s1 ZINC000034671231 171857200 /nfs/dbraw/zinc/85/72/00/171857200.db2.gz LRWSKITUYJOIDC-ZDUSSCGKSA-N 1 0 259.418 4.784 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Cl)ccc2C)s1 ZINC000034671423 171857078 /nfs/dbraw/zinc/85/70/78/171857078.db2.gz IKKRAPSUGLWPRH-JTQLQIEISA-N 1 0 265.809 4.657 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccccc2CC)s1 ZINC000034671457 171857277 /nfs/dbraw/zinc/85/72/77/171857277.db2.gz DYXOOXDUKSBMLP-GFCCVEGCSA-N 1 0 259.418 4.648 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccccc2CC)s1 ZINC000034671458 171857209 /nfs/dbraw/zinc/85/72/09/171857209.db2.gz DYXOOXDUKSBMLP-LBPRGKRZSA-N 1 0 259.418 4.648 10 0 CJAERO CCCc1ccc(-c2ccc([C@H](C)[NH2+]C)s2)cc1 ZINC000034671575 171857059 /nfs/dbraw/zinc/85/70/59/171857059.db2.gz GIDYDEJLWXXDMV-LBPRGKRZSA-N 1 0 259.418 4.648 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cccc(C)c2C)s1 ZINC000034671648 171857511 /nfs/dbraw/zinc/85/75/11/171857511.db2.gz FHXUXCXQXXMXIX-AWEZNQCLSA-N 1 0 259.418 4.702 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2cccc(Cl)c2)s1)C1CC1 ZINC000034671695 171857681 /nfs/dbraw/zinc/85/76/81/171857681.db2.gz FTPFRJDTUREQMI-HNNXBMFYSA-N 1 0 277.820 4.739 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2cccc(Cl)c2)s1)C(C)C ZINC000034671703 171857623 /nfs/dbraw/zinc/85/76/23/171857623.db2.gz AYMUELAXJXEXSW-HNNXBMFYSA-N 1 0 279.836 4.985 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cccc(Cl)c2)s1 ZINC000034671722 171857534 /nfs/dbraw/zinc/85/75/34/171857534.db2.gz ZNTCMIJRERMXLU-LBPRGKRZSA-N 1 0 265.809 4.739 10 0 CJAERO CCC[C@@H]([NH2+]C)c1ccc(-c2cccc(F)c2)s1 ZINC000034671754 171857614 /nfs/dbraw/zinc/85/76/14/171857614.db2.gz FMFPAVULAYSSMR-CYBMUJFWSA-N 1 0 263.381 4.615 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2cccc(F)c2)s1 ZINC000034671761 171857699 /nfs/dbraw/zinc/85/76/99/171857699.db2.gz MTTSVGDFQSXYIZ-CYBMUJFWSA-N 1 0 263.381 4.615 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000034671825 171857517 /nfs/dbraw/zinc/85/75/17/171857517.db2.gz BQKGCTNMISBALT-GFCCVEGCSA-N 1 0 273.445 4.993 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccccc2F)s1 ZINC000034671858 171857507 /nfs/dbraw/zinc/85/75/07/171857507.db2.gz CZOGOWIBFCVDRJ-ZDUSSCGKSA-N 1 0 263.381 4.615 10 0 CJAERO CCc1ccc(-c2ccc([C@H]([NH2+]C)C3CC3)s2)cc1 ZINC000034671969 171857483 /nfs/dbraw/zinc/85/74/83/171857483.db2.gz DNKGXSVTJODJEN-QGZVFWFLSA-N 1 0 271.429 4.648 10 0 CJAERO CCc1ccc(-c2ccc([C@@H](CC)[NH2+]C)s2)cc1 ZINC000034672003 171857724 /nfs/dbraw/zinc/85/77/24/171857724.db2.gz ZXLKOTOOUASBOG-CQSZACIVSA-N 1 0 259.418 4.648 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(CC)cc2)s1 ZINC000034672012 171857632 /nfs/dbraw/zinc/85/76/32/171857632.db2.gz AEICWLBTSWJFGY-LBPRGKRZSA-N 1 0 259.418 4.648 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(C)c(F)c2)s1 ZINC000034672051 171857528 /nfs/dbraw/zinc/85/75/28/171857528.db2.gz MHLUZBLOFCRXNJ-AWEZNQCLSA-N 1 0 277.408 4.923 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(C)c(F)c2)s1 ZINC000034672052 171857560 /nfs/dbraw/zinc/85/75/60/171857560.db2.gz MHLUZBLOFCRXNJ-CQSZACIVSA-N 1 0 277.408 4.923 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(C)c(F)c2)s1 ZINC000034672053 171857678 /nfs/dbraw/zinc/85/76/78/171857678.db2.gz BRHNJBVCKVFNSL-ZDUSSCGKSA-N 1 0 263.381 4.533 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000034672077 171857682 /nfs/dbraw/zinc/85/76/82/171857682.db2.gz SRSWENJEWKTGPP-HNNXBMFYSA-N 1 0 271.429 4.574 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000034672078 171857620 /nfs/dbraw/zinc/85/76/20/171857620.db2.gz SRSWENJEWKTGPP-OAHLLOKOSA-N 1 0 271.429 4.574 10 0 CJAERO C[NH2+][C@@H](c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000034672119 171857817 /nfs/dbraw/zinc/85/78/17/171857817.db2.gz WIIKRAHSFWPWOJ-OAHLLOKOSA-N 1 0 277.820 4.739 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2ccc(Cl)cc2)s1)C(C)C ZINC000034672125 171858002 /nfs/dbraw/zinc/85/80/02/171858002.db2.gz MUNFKJVSSLWUMG-HNNXBMFYSA-N 1 0 279.836 4.985 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000034672138 171857990 /nfs/dbraw/zinc/85/79/90/171857990.db2.gz VUSOWMVTERUWQB-GFCCVEGCSA-N 1 0 265.809 4.739 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000034672141 171857993 /nfs/dbraw/zinc/85/79/93/171857993.db2.gz JKOGRWVFTUKBGB-JTQLQIEISA-N 1 0 265.809 4.739 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3ccccc32)s1 ZINC000034672159 171857987 /nfs/dbraw/zinc/85/79/87/171857987.db2.gz LKAAMPHNKMRWGR-LBPRGKRZSA-N 1 0 267.397 4.849 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(C(C)C)cc2)s1 ZINC000034672292 171857948 /nfs/dbraw/zinc/85/79/48/171857948.db2.gz HMRVLFYVEOGUHQ-GFCCVEGCSA-N 1 0 259.418 4.819 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)cc2Cl)s1 ZINC000034672335 171857841 /nfs/dbraw/zinc/85/78/41/171857841.db2.gz ZXMVIMPSGKCCLI-GFCCVEGCSA-N 1 0 283.799 4.878 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2cc(F)ccc2C)s1 ZINC000034672394 171858019 /nfs/dbraw/zinc/85/80/19/171858019.db2.gz JJJQZOAXCLCVRI-GFCCVEGCSA-N 1 0 277.408 4.923 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2cccc(C)c2)s1 ZINC000034672450 171857798 /nfs/dbraw/zinc/85/77/98/171857798.db2.gz MJECSCSJLXZYSF-CYBMUJFWSA-N 1 0 259.418 4.784 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(C)cc2C)s1 ZINC000034672500 171857938 /nfs/dbraw/zinc/85/79/38/171857938.db2.gz IXJWTOUDICHQTF-CQSZACIVSA-N 1 0 259.418 4.702 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(F)cc2C)s1 ZINC000034672581 171858542 /nfs/dbraw/zinc/85/85/42/171858542.db2.gz FGATUQOYOIEUHP-CQSZACIVSA-N 1 0 277.408 4.923 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(F)cc2C)s1 ZINC000034672582 171858208 /nfs/dbraw/zinc/85/82/08/171858208.db2.gz YWSFAWKDLCYIEN-ZDUSSCGKSA-N 1 0 263.381 4.533 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)cc2C)s1 ZINC000034672583 171858562 /nfs/dbraw/zinc/85/85/62/171858562.db2.gz YWSFAWKDLCYIEN-CYBMUJFWSA-N 1 0 263.381 4.533 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2cc(C)cc(C)c2)s1)C(C)C ZINC000034672672 171858299 /nfs/dbraw/zinc/85/82/99/171858299.db2.gz LHLHZHBTXGEHCR-KRWDZBQOSA-N 1 0 273.445 4.948 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2cc(C)cc(C)c2)s1 ZINC000034672688 171858432 /nfs/dbraw/zinc/85/84/32/171858432.db2.gz JZAFPQPWTLKSJY-CYBMUJFWSA-N 1 0 259.418 4.702 10 0 CJAERO CCc1cccc(-c2ccc([C@H]([NH2+]C)C(C)C)s2)c1 ZINC000034672732 171858489 /nfs/dbraw/zinc/85/84/89/171858489.db2.gz PUJXEQKPUOMHCS-QGZVFWFLSA-N 1 0 273.445 4.894 10 0 CJAERO CCc1cccc(-c2ccc([C@@H](CC)[NH2+]C)s2)c1 ZINC000034672744 171858206 /nfs/dbraw/zinc/85/82/06/171858206.db2.gz HLODJZRELMWAQV-CQSZACIVSA-N 1 0 259.418 4.648 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(-c2ccccc2)s1)C1CC1 ZINC000034672757 171858525 /nfs/dbraw/zinc/85/85/25/171858525.db2.gz MZSMUQVIUQAUKJ-QGZVFWFLSA-N 1 0 271.429 4.866 10 0 CJAERO CCC[NH2+][C@H](c1ccc(-c2ccccc2)s1)C1CC1 ZINC000034672759 171858393 /nfs/dbraw/zinc/85/83/93/171858393.db2.gz MZSMUQVIUQAUKJ-KRWDZBQOSA-N 1 0 271.429 4.866 10 0 CJAERO CC[NH2+][C@@H](c1ccc(-c2ccccc2)s1)C(C)C ZINC000034672771 171858238 /nfs/dbraw/zinc/85/82/38/171858238.db2.gz NBPUYDASXMGNTI-MRXNPFEDSA-N 1 0 259.418 4.722 10 0 CJAERO CCC[C@H]([NH2+]CC)c1ccc(-c2ccccc2)s1 ZINC000034672778 171858189 /nfs/dbraw/zinc/85/81/89/171858189.db2.gz LETKEHYIDSQGSD-AWEZNQCLSA-N 1 0 259.418 4.866 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(C)cc2F)s1 ZINC000034673170 171858290 /nfs/dbraw/zinc/85/82/90/171858290.db2.gz ARGMRZKOEDHXMH-CYBMUJFWSA-N 1 0 263.381 4.533 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(C)cc2F)s1 ZINC000034673174 171858289 /nfs/dbraw/zinc/85/82/89/171858289.db2.gz XRNGZSNEIOUUTG-LLVKDONJSA-N 1 0 263.381 4.533 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(Cl)c2)s1 ZINC000034673203 171858554 /nfs/dbraw/zinc/85/85/54/171858554.db2.gz ZMXMGYINKZYOFG-VIFPVBQESA-N 1 0 283.799 4.878 10 0 CJAERO C[NH2+][C@@H](c1ccc(-c2cc(C)ccc2F)s1)C1CC1 ZINC000034673271 171858979 /nfs/dbraw/zinc/85/89/79/171858979.db2.gz MWRKZECQKMDDTJ-MRXNPFEDSA-N 1 0 275.392 4.533 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(C)ccc2F)s1 ZINC000034673289 171859134 /nfs/dbraw/zinc/85/91/34/171859134.db2.gz ZBUQNOKAQOFPOG-ZDUSSCGKSA-N 1 0 263.381 4.533 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000034673342 171859122 /nfs/dbraw/zinc/85/91/22/171859122.db2.gz FQXNYGBZTFWPOF-SECBINFHSA-N 1 0 285.334 4.714 10 0 CJAERO CC[NH2+][C@@H](c1ccc(-c2ccccc2C)s1)C1CC1 ZINC000034673523 171858888 /nfs/dbraw/zinc/85/88/88/171858888.db2.gz YHENZBQIGMKYAF-QGZVFWFLSA-N 1 0 271.429 4.784 10 0 CJAERO CCC[C@@H]([NH2+]C)c1ccc(-c2ccccc2C)s1 ZINC000034673538 171859020 /nfs/dbraw/zinc/85/90/20/171859020.db2.gz HZGDTYOAGGWEBQ-CQSZACIVSA-N 1 0 259.418 4.784 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2ccccc2C)s1 ZINC000034673546 171858993 /nfs/dbraw/zinc/85/89/93/171858993.db2.gz VNBZAWDOERACTL-CYBMUJFWSA-N 1 0 259.418 4.784 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2C)s1 ZINC000034673609 171858974 /nfs/dbraw/zinc/85/89/74/171858974.db2.gz GYMQHDLNWJWLDR-SNVBAGLBSA-N 1 0 265.809 4.657 10 0 CJAERO CCCCCCOc1ccc([C@H](C)[NH2+]CCC)cc1 ZINC000034819537 171872425 /nfs/dbraw/zinc/87/24/25/171872425.db2.gz BIDXLSPDZIODPQ-HNNXBMFYSA-N 1 0 263.425 4.706 10 0 CJAERO CCCCCCOc1ccc([C@H](CC)[NH2+]CC)cc1 ZINC000034822718 171876389 /nfs/dbraw/zinc/87/63/89/171876389.db2.gz IRZXQLSJTFZJKD-KRWDZBQOSA-N 1 0 263.425 4.706 10 0 CJAERO C[NH2+]Cc1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000034825562 171880344 /nfs/dbraw/zinc/88/03/44/171880344.db2.gz MJIDSFPURZOBOI-UHFFFAOYSA-N 1 0 282.170 4.505 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(Cl)c(C)c2)cc1 ZINC000034842003 171884964 /nfs/dbraw/zinc/88/49/64/171884964.db2.gz LXDKOIYLXRJXPQ-LBPRGKRZSA-N 1 0 275.779 4.721 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(O[C@@H](C)CC(C)C)cc1 ZINC000034843168 171886596 /nfs/dbraw/zinc/88/65/96/171886596.db2.gz NUCMYOVGDKUINP-LSDHHAIUSA-N 1 0 263.425 4.561 10 0 CJAERO CC[NH2+][C@H](C)c1ccccc1Oc1ccc(Cl)cc1 ZINC000034843935 171886366 /nfs/dbraw/zinc/88/63/66/171886366.db2.gz UQDLZFHNGWPOIA-GFCCVEGCSA-N 1 0 275.779 4.803 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000034843978 171886565 /nfs/dbraw/zinc/88/65/65/171886565.db2.gz IBLUREZRMJYGMQ-JTQLQIEISA-N 1 0 279.742 4.552 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000034844147 171887047 /nfs/dbraw/zinc/88/70/47/171887047.db2.gz WPEPUOIDWKAUNG-CQSZACIVSA-N 1 0 255.361 4.540 10 0 CJAERO CCCC[C@@H](CC)COc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034844898 171888243 /nfs/dbraw/zinc/88/82/43/171888243.db2.gz LIZBWFDTFZNIAL-HUUCEWRRSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1OCCCC(C)C ZINC000034844934 171887744 /nfs/dbraw/zinc/88/77/44/171887744.db2.gz FTUNILLICXKQBA-HNNXBMFYSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1OCCCC(C)C ZINC000034844937 171888242 /nfs/dbraw/zinc/88/82/42/171888242.db2.gz FTUNILLICXKQBA-OAHLLOKOSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1S[C@@H](C)CC ZINC000034845644 171888011 /nfs/dbraw/zinc/88/80/11/171888011.db2.gz OJEJYGNNKAEBOO-STQMWFEESA-N 1 0 251.439 4.638 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1S[C@H](C)CC ZINC000034845647 171887743 /nfs/dbraw/zinc/88/77/43/171887743.db2.gz OJEJYGNNKAEBOO-OLZOCXBDSA-N 1 0 251.439 4.638 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(S[C@H](C)CC)c(F)c1 ZINC000034845715 171887884 /nfs/dbraw/zinc/88/78/84/171887884.db2.gz KGGFIQZLVDYOLG-VXGBXAGGSA-N 1 0 269.429 4.777 10 0 CJAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1SC(C)(C)C ZINC000034845795 171887745 /nfs/dbraw/zinc/88/77/45/171887745.db2.gz RATCOTJUIBKFMU-NSHDSACASA-N 1 0 269.429 4.777 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1Sc1ccccc1 ZINC000034845898 171887891 /nfs/dbraw/zinc/88/78/91/171887891.db2.gz JTYQGUWKKWZWKB-ZDUSSCGKSA-N 1 0 257.402 4.508 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(Sc2ccc(C)cc2)cc1 ZINC000034846075 171888380 /nfs/dbraw/zinc/88/83/80/171888380.db2.gz PJHIPFQZGDJGBW-AWEZNQCLSA-N 1 0 271.429 4.817 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1Sc1ccc(F)cc1 ZINC000034846358 171888365 /nfs/dbraw/zinc/88/83/65/171888365.db2.gz DWCBKYNYMGJSIL-LBPRGKRZSA-N 1 0 275.392 4.647 10 0 CJAERO CCc1ccc([C@H]([NH3+])C[C@H](C)CC(C)(C)C)s1 ZINC000034960854 171905917 /nfs/dbraw/zinc/90/59/17/171905917.db2.gz JEXRZYXJKNZGSG-WCQYABFASA-N 1 0 253.455 4.773 10 0 CJAERO CC(C)[C@H]([NH3+])c1ccc(-c2ccccc2Cl)s1 ZINC000034974686 171909862 /nfs/dbraw/zinc/90/98/62/171909862.db2.gz RIZWSYKBDYHRFL-AWEZNQCLSA-N 1 0 265.809 4.724 10 0 CJAERO CC(C)[C@@H]([NH3+])c1ccc(-c2ccccc2Cl)s1 ZINC000034974688 171909747 /nfs/dbraw/zinc/90/97/47/171909747.db2.gz RIZWSYKBDYHRFL-CQSZACIVSA-N 1 0 265.809 4.724 10 0 CJAERO Cc1ccc(Cl)cc1-c1ccc([C@@H]([NH3+])C2CC2)s1 ZINC000034974704 171909536 /nfs/dbraw/zinc/90/95/36/171909536.db2.gz LFXXWOVDUDNCND-HNNXBMFYSA-N 1 0 277.820 4.787 10 0 CJAERO CC(C)[C@H]([NH3+])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000034974753 171910550 /nfs/dbraw/zinc/91/05/50/171910550.db2.gz LPTMRARILXXNNZ-AWEZNQCLSA-N 1 0 265.809 4.724 10 0 CJAERO CC(C)[C@@H]([NH3+])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000034974755 171910616 /nfs/dbraw/zinc/91/06/16/171910616.db2.gz LPTMRARILXXNNZ-CQSZACIVSA-N 1 0 265.809 4.724 10 0 CJAERO Cc1ccc(-c2ccc([C@H]([NH3+])C(C)C)s2)c(C)c1 ZINC000034974778 171910274 /nfs/dbraw/zinc/91/02/74/171910274.db2.gz RSDGWMOTVKXPIT-MRXNPFEDSA-N 1 0 259.418 4.688 10 0 CJAERO Cc1cc(C)cc(-c2ccc([C@H]([NH3+])C(C)C)s2)c1 ZINC000034974796 171910439 /nfs/dbraw/zinc/91/04/39/171910439.db2.gz JLOPIYQLYGBGCL-MRXNPFEDSA-N 1 0 259.418 4.688 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2cccc(Br)c2)s1 ZINC000034974816 171910233 /nfs/dbraw/zinc/91/02/33/171910233.db2.gz CYMIBXANRIZQTJ-NSHDSACASA-N 1 0 296.233 4.587 10 0 CJAERO CC(C)(C)C(=O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000034981353 171914451 /nfs/dbraw/zinc/91/44/51/171914451.db2.gz LRDDQSQYXULRRI-UHFFFAOYSA-N 1 0 279.468 4.569 10 0 CJAERO Cc1cc(C)c(C[NH2+]C2CCCCCCC2)cc1C ZINC000034991132 171917452 /nfs/dbraw/zinc/91/74/52/171917452.db2.gz WUGOREUVLWWFIG-UHFFFAOYSA-N 1 0 259.437 4.814 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000034991183 171917084 /nfs/dbraw/zinc/91/70/84/171917084.db2.gz BIYZCVWNAZUTSW-QGZVFWFLSA-N 1 0 288.479 4.591 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@H](C)CCCC(C)C)cc1C ZINC000034991188 171917173 /nfs/dbraw/zinc/91/71/73/171917173.db2.gz MAYZGFDMLCGTHG-QGZVFWFLSA-N 1 0 261.453 4.916 10 0 CJAERO Cc1cc(C)c(C[NH2+]CCc2ccc(Cl)cc2)cc1C ZINC000034991306 171917414 /nfs/dbraw/zinc/91/74/14/171917414.db2.gz AOLNTNJIEIJDKR-UHFFFAOYSA-N 1 0 287.834 4.598 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000034991402 567889013 /nfs/dbraw/zinc/88/90/13/567889013.db2.gz IBTUYYYBQIHPNU-CYBMUJFWSA-N 1 0 298.268 4.898 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000034991403 567889100 /nfs/dbraw/zinc/88/91/00/567889100.db2.gz IBTUYYYBQIHPNU-ZDUSSCGKSA-N 1 0 298.268 4.898 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000034991423 171918002 /nfs/dbraw/zinc/91/80/02/171918002.db2.gz ZAYQBMARRPYBMC-HNNXBMFYSA-N 1 0 293.451 4.542 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccccc1OCC ZINC000034991439 171918024 /nfs/dbraw/zinc/91/80/24/171918024.db2.gz BRTNBJXDYOHQBU-HNNXBMFYSA-N 1 0 263.425 4.534 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccc(OCCC)cc1 ZINC000034991481 171918178 /nfs/dbraw/zinc/91/81/78/171918178.db2.gz WJSZFCGLQACCOD-INIZCTEOSA-N 1 0 277.452 4.924 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1cccc(OCC)c1OC ZINC000034991506 171917829 /nfs/dbraw/zinc/91/78/29/171917829.db2.gz GDJULTSBBDEZHT-HNNXBMFYSA-N 1 0 293.451 4.542 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000034991511 171917941 /nfs/dbraw/zinc/91/79/41/171917941.db2.gz PMPLOJCARQJWHU-QGZVFWFLSA-N 1 0 288.479 4.735 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000034991512 171918205 /nfs/dbraw/zinc/91/82/05/171918205.db2.gz PMPLOJCARQJWHU-KRWDZBQOSA-N 1 0 288.479 4.735 10 0 CJAERO Cc1cc(C)c(C[NH2+]C[C@@H](C)c2ccccc2)cc1C ZINC000034992072 171918946 /nfs/dbraw/zinc/91/89/46/171918946.db2.gz AFONBWXXHCCONS-QGZVFWFLSA-N 1 0 267.416 4.505 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000034992106 171918880 /nfs/dbraw/zinc/91/88/80/171918880.db2.gz ZQHMJNIXSBHVCR-QGZVFWFLSA-N 1 0 267.416 4.771 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000034992150 171918435 /nfs/dbraw/zinc/91/84/35/171918435.db2.gz JZFISUQISCYVGS-CYBMUJFWSA-N 1 0 289.369 4.939 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000034992677 328838052 /nfs/dbraw/zinc/83/80/52/328838052.db2.gz MMOGCQLTVKLVJJ-CYBMUJFWSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000034992678 328838095 /nfs/dbraw/zinc/83/80/95/328838095.db2.gz MMOGCQLTVKLVJJ-ZDUSSCGKSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000034992686 328838085 /nfs/dbraw/zinc/83/80/85/328838085.db2.gz KCWNVRLKLXROJE-AWEZNQCLSA-N 1 0 285.456 4.822 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000034992705 171920096 /nfs/dbraw/zinc/92/00/96/171920096.db2.gz FFIZQRWQCFJQPD-MRXNPFEDSA-N 1 0 267.416 4.717 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)cc1 ZINC000034992707 328838091 /nfs/dbraw/zinc/83/80/91/328838091.db2.gz GQCABZAFWYYMIM-MRXNPFEDSA-N 1 0 267.416 4.717 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1 ZINC000034993052 171920679 /nfs/dbraw/zinc/92/06/79/171920679.db2.gz GBYQAAWOAFBORR-KRWDZBQOSA-N 1 0 267.416 4.771 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000034993085 171920935 /nfs/dbraw/zinc/92/09/35/171920935.db2.gz NLGMFLDXVOVYAR-ZDUSSCGKSA-N 1 0 289.369 4.939 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1C ZINC000034993129 328838049 /nfs/dbraw/zinc/83/80/49/328838049.db2.gz DFJZJIFECWWGIZ-AWEZNQCLSA-N 1 0 289.369 4.741 10 0 CJAERO CC(C)C[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1 ZINC000034993435 171920752 /nfs/dbraw/zinc/92/07/52/171920752.db2.gz SHGASAVCSHNZCJ-GOSISDBHSA-N 1 0 289.369 4.842 10 0 CJAERO CCCCC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000034994266 171922070 /nfs/dbraw/zinc/92/20/70/171922070.db2.gz ROBSFVUHJUBNKK-IRXDYDNUSA-N 1 0 251.458 4.905 10 0 CJAERO Clc1ccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000034994338 171922184 /nfs/dbraw/zinc/92/21/84/171922184.db2.gz JPEFCMUHYFQNHD-INMHGKMJSA-N 1 0 277.839 4.789 10 0 CJAERO c1coc(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000034994340 171922213 /nfs/dbraw/zinc/92/22/13/171922213.db2.gz NOPOXSCIIKYKQE-IAGOWNOFSA-N 1 0 261.409 4.508 10 0 CJAERO c1coc(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000034994342 171922354 /nfs/dbraw/zinc/92/23/54/171922354.db2.gz NOPOXSCIIKYKQE-DLBZAZTESA-N 1 0 261.409 4.508 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000034994373 171922605 /nfs/dbraw/zinc/92/26/05/171922605.db2.gz OOQDETBJNYUIOR-AWEZNQCLSA-N 1 0 289.419 4.747 10 0 CJAERO c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000034994479 171923014 /nfs/dbraw/zinc/92/30/14/171923014.db2.gz BLIBPYXGSLFCAN-OALUTQOASA-N 1 0 271.448 4.915 10 0 CJAERO CC(C)CC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000034994717 171922861 /nfs/dbraw/zinc/92/28/61/171922861.db2.gz CVNARJSMJXAODB-SJORKVTESA-N 1 0 251.458 4.761 10 0 CJAERO CC(C)CC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000034994719 171923143 /nfs/dbraw/zinc/92/31/43/171923143.db2.gz CVNARJSMJXAODB-IRXDYDNUSA-N 1 0 251.458 4.761 10 0 CJAERO Clc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034995025 171923622 /nfs/dbraw/zinc/92/36/22/171923622.db2.gz UWGDYSZUEUVMSU-SQWLQELKSA-N 1 0 277.839 4.789 10 0 CJAERO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000034995085 171923887 /nfs/dbraw/zinc/92/38/87/171923887.db2.gz OIRKCTOOOVBGQR-DLBZAZTESA-N 1 0 251.458 4.904 10 0 CJAERO CCC(CC)[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000034995086 171923559 /nfs/dbraw/zinc/92/35/59/171923559.db2.gz OIRKCTOOOVBGQR-IRXDYDNUSA-N 1 0 251.458 4.904 10 0 CJAERO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034995164 171923698 /nfs/dbraw/zinc/92/36/98/171923698.db2.gz SALMZKWQWRXRRF-MWDXBVQZSA-N 1 0 251.458 4.904 10 0 CJAERO Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000034995180 171923638 /nfs/dbraw/zinc/92/36/38/171923638.db2.gz NGSCKUVMYQIVKO-LZLYRXPVSA-N 1 0 291.866 4.831 10 0 CJAERO Clc1ccc(CC[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000034995181 171923685 /nfs/dbraw/zinc/92/36/85/171923685.db2.gz NGSCKUVMYQIVKO-JZXOWHBKSA-N 1 0 291.866 4.831 10 0 CJAERO c1ccc(CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000034995226 171923746 /nfs/dbraw/zinc/92/37/46/171923746.db2.gz GMSAGAFZDPWCCN-IPMKNSEASA-N 1 0 271.448 4.568 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034995253 171923421 /nfs/dbraw/zinc/92/34/21/171923421.db2.gz FNSMQXSRGUJCBX-NXOAAHMSSA-N 1 0 251.458 4.760 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000034995354 171923777 /nfs/dbraw/zinc/92/37/77/171923777.db2.gz PMNXQARDANDPTA-RGYNNNPXSA-N 1 0 263.469 4.760 10 0 CJAERO CCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995466 171923605 /nfs/dbraw/zinc/92/36/05/171923605.db2.gz JAASVZKGLOUOCR-CYBMUJFWSA-N 1 0 259.418 4.693 10 0 CJAERO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000034995768 171924280 /nfs/dbraw/zinc/92/42/80/171924280.db2.gz YWJPYFZKLZPTQQ-ZWKOTPCHSA-N 1 0 281.484 4.530 10 0 CJAERO c1csc(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000034995813 171924453 /nfs/dbraw/zinc/92/44/53/171924453.db2.gz JQJBULUGSBWCDM-IAGOWNOFSA-N 1 0 277.477 4.977 10 0 CJAERO c1csc(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000034995815 171924414 /nfs/dbraw/zinc/92/44/14/171924414.db2.gz JQJBULUGSBWCDM-DLBZAZTESA-N 1 0 277.477 4.977 10 0 CJAERO c1csc(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000034995816 171924490 /nfs/dbraw/zinc/92/44/90/171924490.db2.gz JQJBULUGSBWCDM-IRXDYDNUSA-N 1 0 277.477 4.977 10 0 CJAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000034995986 171925098 /nfs/dbraw/zinc/92/50/98/171925098.db2.gz ASKXXZMCOUEJDF-KMANFZQXSA-N 1 0 275.411 4.835 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000034996111 171924863 /nfs/dbraw/zinc/92/48/63/171924863.db2.gz ZYINFMJGYLBYMD-HZPDHXFCSA-N 1 0 257.421 4.817 10 0 CJAERO CC[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(C)cc1 ZINC000034996302 171924925 /nfs/dbraw/zinc/92/49/25/171924925.db2.gz VHXAWFNDAOVBFG-VSDHMQNDSA-N 1 0 283.459 4.860 10 0 CJAERO CC[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(C)cc1 ZINC000034996303 171924767 /nfs/dbraw/zinc/92/47/67/171924767.db2.gz VHXAWFNDAOVBFG-ZCXWTVJKSA-N 1 0 283.459 4.860 10 0 CJAERO CC[C@@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1ccc(C)cc1 ZINC000034996347 171924657 /nfs/dbraw/zinc/92/46/57/171924657.db2.gz PXDPLXWQPJUIAL-YQQAZPJKSA-N 1 0 259.437 4.860 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000034996356 171924993 /nfs/dbraw/zinc/92/49/93/171924993.db2.gz UWYGMSWHZWIHAC-UXHICEINSA-N 1 0 279.427 4.593 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000034996358 171925048 /nfs/dbraw/zinc/92/50/48/171925048.db2.gz UWYGMSWHZWIHAC-PMACEKPBSA-N 1 0 279.427 4.593 10 0 CJAERO C[C@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000034996392 171926084 /nfs/dbraw/zinc/92/60/84/171926084.db2.gz CXXBADSPDILGHZ-XQLPTFJDSA-N 1 0 263.450 4.758 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000034996469 171925705 /nfs/dbraw/zinc/92/57/05/171925705.db2.gz LMZXZWLXBFYUNZ-ZACQAIPSSA-N 1 0 287.447 4.705 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000034996470 171926129 /nfs/dbraw/zinc/92/61/29/171926129.db2.gz LMZXZWLXBFYUNZ-BBWFWOEESA-N 1 0 287.447 4.705 10 0 CJAERO CCC1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000034996529 171926143 /nfs/dbraw/zinc/92/61/43/171926143.db2.gz MDAYOSGNGGBYFR-XUJLQICISA-N 1 0 275.461 4.782 10 0 CJAERO C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCSc2ccccc21 ZINC000034996568 171925476 /nfs/dbraw/zinc/92/54/76/171925476.db2.gz STZPHIITMLGDMY-AXLMJIKWSA-N 1 0 275.461 4.638 10 0 CJAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCSc2ccccc21 ZINC000034996569 171926098 /nfs/dbraw/zinc/92/60/98/171926098.db2.gz STZPHIITMLGDMY-KCQAQPDRSA-N 1 0 275.461 4.638 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034996672 171926078 /nfs/dbraw/zinc/92/60/78/171926078.db2.gz OOGSDMJLNDBJBE-NXOAAHMSSA-N 1 0 287.447 4.705 10 0 CJAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000034996679 171925539 /nfs/dbraw/zinc/92/55/39/171925539.db2.gz MEUWPDCYEZRGNE-WMZOPIPTSA-N 1 0 271.448 4.892 10 0 CJAERO CCC(CC)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000035009493 171926708 /nfs/dbraw/zinc/92/67/08/171926708.db2.gz ZJIZGISRYAMILH-OAHLLOKOSA-N 1 0 261.453 4.972 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)c1ccccn1 ZINC000035009604 171926580 /nfs/dbraw/zinc/92/65/80/171926580.db2.gz YFDDIWGLSMBQJC-SUMDDJOVSA-N 1 0 286.463 4.871 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1Cl ZINC000035009640 171926524 /nfs/dbraw/zinc/92/65/24/171926524.db2.gz USSNAHCQHALTET-CZUORRHYSA-N 1 0 285.818 4.548 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1Cl ZINC000035009641 171926515 /nfs/dbraw/zinc/92/65/15/171926515.db2.gz USSNAHCQHALTET-BBRMVZONSA-N 1 0 285.818 4.548 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000035009660 171926726 /nfs/dbraw/zinc/92/67/26/171926726.db2.gz PLIBUTFZTWCQCN-ACJLOTCBSA-N 1 0 285.818 4.548 10 0 CJAERO C1=C(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000035009673 171926818 /nfs/dbraw/zinc/92/68/18/171926818.db2.gz CAVVEOKZIABXSG-RCCFBDPRSA-N 1 0 261.453 4.825 10 0 CJAERO C1=C(CC[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CCCC1 ZINC000035009676 171926373 /nfs/dbraw/zinc/92/63/73/171926373.db2.gz CAVVEOKZIABXSG-KURKYZTESA-N 1 0 261.453 4.825 10 0 CJAERO Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000035009684 171927001 /nfs/dbraw/zinc/92/70/01/171927001.db2.gz GLLVGZJBSFVXBV-IRXDYDNUSA-N 1 0 259.437 4.690 10 0 CJAERO c1coc(CC[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000035009732 171927364 /nfs/dbraw/zinc/92/73/64/171927364.db2.gz XRUQQDCQEITDJU-MSOLQXFVSA-N 1 0 275.436 4.551 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035009757 171927037 /nfs/dbraw/zinc/92/70/37/171927037.db2.gz NXKBDBIFDIXMLH-GUDVDZBRSA-N 1 0 285.475 4.738 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035009758 171927110 /nfs/dbraw/zinc/92/71/10/171927110.db2.gz NXKBDBIFDIXMLH-CEXWTWQISA-N 1 0 285.475 4.738 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000035009824 328844161 /nfs/dbraw/zinc/84/41/61/328844161.db2.gz ISXVAUWKJYZJDY-AWEZNQCLSA-N 1 0 279.383 4.846 10 0 CJAERO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000035010003 171927554 /nfs/dbraw/zinc/92/75/54/171927554.db2.gz NRVHYCDQKUTXEU-KJGCVMFHSA-N 1 0 275.411 4.835 10 0 CJAERO C[C@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000035010005 171926992 /nfs/dbraw/zinc/92/69/92/171926992.db2.gz NRVHYCDQKUTXEU-KMCQBPLKSA-N 1 0 275.411 4.835 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000035010011 171927491 /nfs/dbraw/zinc/92/74/91/171927491.db2.gz YHLSXZBGCMJCSG-DYEKYZERSA-N 1 0 281.390 4.830 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000035010054 171927493 /nfs/dbraw/zinc/92/74/93/171927493.db2.gz XMMPROHFHNJFLP-DNOWBOINSA-N 1 0 281.390 4.974 10 0 CJAERO C[C@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000035010106 171927983 /nfs/dbraw/zinc/92/79/83/171927983.db2.gz IXTKENDXRBOXLY-UGQVUOCMSA-N 1 0 293.401 4.974 10 0 CJAERO CCC(CC)C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000035010348 171928142 /nfs/dbraw/zinc/92/81/42/171928142.db2.gz QQTZEJINGZEMIN-HNNXBMFYSA-N 1 0 298.268 4.926 10 0 CJAERO CCC(CC)C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000035010350 171928043 /nfs/dbraw/zinc/92/80/43/171928043.db2.gz QQTZEJINGZEMIN-OAHLLOKOSA-N 1 0 298.268 4.926 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000035010561 171928047 /nfs/dbraw/zinc/92/80/47/171928047.db2.gz QJQDTTSJEDDVCU-GTPINHCMSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000035010645 171928025 /nfs/dbraw/zinc/92/80/25/171928025.db2.gz FBZCMUKXLQNFKQ-HRCADAONSA-N 1 0 259.437 4.779 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000035010647 171927803 /nfs/dbraw/zinc/92/78/03/171927803.db2.gz FBZCMUKXLQNFKQ-JYJNAYRXSA-N 1 0 259.437 4.779 10 0 CJAERO C[C@@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000035010839 171927785 /nfs/dbraw/zinc/92/77/85/171927785.db2.gz AYYWLBFWIIBSKJ-CTASWTNQSA-N 1 0 293.401 4.974 10 0 CJAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035011164 171929104 /nfs/dbraw/zinc/92/91/04/171929104.db2.gz SZMZQKXUSXZYTO-TWMKSMIVSA-N 1 0 275.436 4.549 10 0 CJAERO C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)c1cc2ccccc2o1 ZINC000035011481 171928993 /nfs/dbraw/zinc/92/89/93/171928993.db2.gz DORUYKXQLHBINQ-IHRRRGAJSA-N 1 0 271.404 4.908 10 0 CJAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc2c(c1)CCCC2 ZINC000035011787 171929037 /nfs/dbraw/zinc/92/90/37/171929037.db2.gz OPJIFTHDEYHRGE-CVEARBPZSA-N 1 0 269.432 4.572 10 0 CJAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc2c(c1)CCCC2 ZINC000035011791 171929561 /nfs/dbraw/zinc/92/95/61/171929561.db2.gz OPJIFTHDEYHRGE-HZPDHXFCSA-N 1 0 269.432 4.572 10 0 CJAERO Clc1ccc([C@H]([NH2+]CCc2ccccc2)C2CC2)cc1 ZINC000035011881 171929875 /nfs/dbraw/zinc/92/98/75/171929875.db2.gz VZOUGTNPWIDWBL-GOSISDBHSA-N 1 0 285.818 4.623 10 0 CJAERO Clc1ccc([C@@H]([NH2+]CCc2ccccc2)C2CC2)cc1 ZINC000035011883 171929688 /nfs/dbraw/zinc/92/96/88/171929688.db2.gz VZOUGTNPWIDWBL-SFHVURJKSA-N 1 0 285.818 4.623 10 0 CJAERO CC1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011895 171929763 /nfs/dbraw/zinc/92/97/63/171929763.db2.gz FWOHMPARPMDVRV-UAIPMZCESA-N 1 0 277.839 4.959 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035011951 171929957 /nfs/dbraw/zinc/92/99/57/171929957.db2.gz DDXGBRQBLDYGSL-CSMYWGQOSA-N 1 0 277.839 4.959 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000035011963 171929812 /nfs/dbraw/zinc/92/98/12/171929812.db2.gz WMYCWKLIECEKIK-CSMYWGQOSA-N 1 0 277.839 4.959 10 0 CJAERO Clc1ccc([C@@H]([NH2+]CC2CCCCC2)C2CC2)cc1 ZINC000035011968 171929391 /nfs/dbraw/zinc/92/93/91/171929391.db2.gz DYAGROUMRDWXKV-KRWDZBQOSA-N 1 0 277.839 4.961 10 0 CJAERO c1csc([C@H]([NH2+]C[C@@H]2CC=CCC2)c2ccccc2)c1 ZINC000035012150 171929836 /nfs/dbraw/zinc/92/98/36/171929836.db2.gz JFLKEFTUSVQBLO-CRAIPNDOSA-N 1 0 283.440 4.783 10 0 CJAERO CCC(CC)C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000035012205 171929304 /nfs/dbraw/zinc/92/93/04/171929304.db2.gz BHFIJLHOTJSVCS-KRWDZBQOSA-N 1 0 273.445 4.863 10 0 CJAERO Cc1cccc(C[NH2+][C@@H](c2cccs2)c2ccccc2)c1 ZINC000035012211 171929719 /nfs/dbraw/zinc/92/97/19/171929719.db2.gz VBXKQFIAULKTSG-LJQANCHMSA-N 1 0 293.435 4.936 10 0 CJAERO CC(C)C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000035012687 171930129 /nfs/dbraw/zinc/93/01/29/171930129.db2.gz IBZXBWMYDNPURY-WMZOPIPTSA-N 1 0 257.421 4.720 10 0 CJAERO CC(C)C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000035012689 171930105 /nfs/dbraw/zinc/93/01/05/171930105.db2.gz IBZXBWMYDNPURY-FUHWJXTLSA-N 1 0 257.421 4.720 10 0 CJAERO C1CC[C@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[C@@H]2C1 ZINC000035012836 171930358 /nfs/dbraw/zinc/93/03/58/171930358.db2.gz DRWFZSUDZRFSGM-MFGIXVJESA-N 1 0 287.491 4.760 10 0 CJAERO CC[C@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000035012941 171930257 /nfs/dbraw/zinc/93/02/57/171930257.db2.gz NIVOQEYKQYLMPY-ISRLESLYSA-N 1 0 275.436 4.561 10 0 CJAERO CCC[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000035013081 171930733 /nfs/dbraw/zinc/93/07/33/171930733.db2.gz QVOAJXVJKJPFGQ-ZCXWTVJKSA-N 1 0 283.459 4.942 10 0 CJAERO CCC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000035013185 171931051 /nfs/dbraw/zinc/93/10/51/171931051.db2.gz UMWKDYZUFUCBNH-WOJBJXKFSA-N 1 0 279.427 4.675 10 0 CJAERO CCC[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000035013187 171931190 /nfs/dbraw/zinc/93/11/90/171931190.db2.gz UMWKDYZUFUCBNH-PMACEKPBSA-N 1 0 279.427 4.675 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000035013473 171931106 /nfs/dbraw/zinc/93/11/06/171931106.db2.gz ZYCRJDWWEFWBFP-JONQDZQNSA-N 1 0 261.409 4.598 10 0 CJAERO C[C@H]([NH2+]C(C)(C)CC(C)(C)C)c1ccc(F)cc1 ZINC000035014249 171931192 /nfs/dbraw/zinc/93/11/92/171931192.db2.gz QCNCJRDVSOMYCS-LBPRGKRZSA-N 1 0 251.389 4.691 10 0 CJAERO C(C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)COC1CCCCC1 ZINC000035015629 171932906 /nfs/dbraw/zinc/93/29/06/171932906.db2.gz NRNBPIWJVYIPEH-KSZLIROESA-N 1 0 293.495 4.674 10 0 CJAERO CC(C)[C@@H]([NH2+]C[C@H](C)c1ccccc1)c1ccccc1 ZINC000035016044 171932938 /nfs/dbraw/zinc/93/29/38/171932938.db2.gz DHRMJSWIVXKASZ-QFBILLFUSA-N 1 0 267.416 4.777 10 0 CJAERO CC(C)[C@@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000035016245 171933515 /nfs/dbraw/zinc/93/35/15/171933515.db2.gz AGGQYSHYQJTGBD-FZBAJKBMSA-N 1 0 259.437 4.798 10 0 CJAERO CC(C)[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000035016280 517476861 /nfs/dbraw/zinc/47/68/61/517476861.db2.gz AGOLNPQNJSTMLC-UXHICEINSA-N 1 0 279.427 4.531 10 0 CJAERO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000035016282 171933431 /nfs/dbraw/zinc/93/34/31/171933431.db2.gz AGOLNPQNJSTMLC-WOJBJXKFSA-N 1 0 279.427 4.531 10 0 CJAERO CC(C)[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)cc1 ZINC000035016361 171933634 /nfs/dbraw/zinc/93/36/34/171933634.db2.gz RZXHVPIGLSMXTQ-QGZVFWFLSA-N 1 0 263.400 4.835 10 0 CJAERO CC(C)[C@@H]([NH2+]CCCc1ccccc1)c1ccc(F)cc1 ZINC000035016554 171933448 /nfs/dbraw/zinc/93/34/48/171933448.db2.gz CGKGSTGIGAAEIG-LJQANCHMSA-N 1 0 285.406 4.745 10 0 CJAERO CC(C)[C@@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)c1ccc(F)cc1 ZINC000035016620 171933193 /nfs/dbraw/zinc/93/31/93/171933193.db2.gz SNXNQLOAAJTGKQ-WBXBSLSUSA-N 1 0 277.427 4.937 10 0 CJAERO CC(C)[C@@H]([NH2+]C1CCC(C)CC1)c1cccs1 ZINC000035016937 171934032 /nfs/dbraw/zinc/93/40/32/171934032.db2.gz YKPATHUXSDQCBX-SSDMNJCBSA-N 1 0 251.439 4.614 10 0 CJAERO CC(C)[C@H]([NH2+]C1CCC(C)CC1)c1cccs1 ZINC000035016939 517478497 /nfs/dbraw/zinc/47/84/97/517478497.db2.gz YKPATHUXSDQCBX-PIMMBPRGSA-N 1 0 251.439 4.614 10 0 CJAERO CC(C)[C@H]([NH2+]C[C@H](C)c1ccccc1)c1cccs1 ZINC000035017130 171934712 /nfs/dbraw/zinc/93/47/12/171934712.db2.gz ZTOURXSILGMNIE-YOEHRIQHSA-N 1 0 273.445 4.839 10 0 CJAERO Cc1ccsc1C[NH2+][C@@H](c1cccs1)C(C)C ZINC000035017182 171934657 /nfs/dbraw/zinc/93/46/57/171934657.db2.gz MIMGSRAIKPCPIF-CQSZACIVSA-N 1 0 265.447 4.605 10 0 CJAERO CC(C)[C@@H]([NH2+]CC1CCCCC1)c1cccs1 ZINC000035017285 171934010 /nfs/dbraw/zinc/93/40/10/171934010.db2.gz SWLXRODRMHJWQX-OAHLLOKOSA-N 1 0 251.439 4.615 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](c2cccs2)C(C)C)cc1C ZINC000035017311 171934308 /nfs/dbraw/zinc/93/43/08/171934308.db2.gz HSNSJPFZIVAPJR-QGZVFWFLSA-N 1 0 273.445 4.852 10 0 CJAERO CC(C)COCCC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000035017466 171934279 /nfs/dbraw/zinc/93/42/79/171934279.db2.gz JEYMNQUWCZBPJA-RBUKOAKNSA-N 1 0 295.511 4.778 10 0 CJAERO C(C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1)COCC1CC1 ZINC000035017574 171934720 /nfs/dbraw/zinc/93/47/20/171934720.db2.gz OKPDAFZFGHLXSX-OALUTQOASA-N 1 0 293.495 4.532 10 0 CJAERO CCCCCC[NH2+]Cc1c2ccccc2oc1CC ZINC000035017769 171935071 /nfs/dbraw/zinc/93/50/71/171935071.db2.gz IRPXXZWWUOEQIP-UHFFFAOYSA-N 1 0 259.393 4.665 10 0 CJAERO CCc1oc2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000035017805 171935177 /nfs/dbraw/zinc/93/51/77/171935177.db2.gz ISNHXBBLVHPNOG-UHFFFAOYSA-N 1 0 271.404 4.808 10 0 CJAERO CCc1oc2ccccc2c1C[NH2+][C@H](C)CCC(C)C ZINC000035017809 171935090 /nfs/dbraw/zinc/93/50/90/171935090.db2.gz GXCWKVYARYTZON-CQSZACIVSA-N 1 0 273.420 4.910 10 0 CJAERO CCc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000035017837 171935520 /nfs/dbraw/zinc/93/55/20/171935520.db2.gz IRNVUMBGHNXRGW-KEYYUXOJSA-N 1 0 285.431 4.910 10 0 CJAERO CCc1oc2ccccc2c1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000035017845 171934840 /nfs/dbraw/zinc/93/48/40/171934840.db2.gz WMULPPZIUFPJSC-CZUORRHYSA-N 1 0 271.404 4.664 10 0 CJAERO CCc1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000035017927 171935112 /nfs/dbraw/zinc/93/51/12/171935112.db2.gz HKXDLNITAKRJRS-ZDUSSCGKSA-N 1 0 283.371 4.747 10 0 CJAERO CC1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000035043442 171947384 /nfs/dbraw/zinc/94/73/84/171947384.db2.gz AWZNDLGYVKJMDT-ABIUDSBCSA-N 1 0 279.424 4.531 10 0 CJAERO Fc1ccc2c(c1)[C@H]([NH2+]C1CCCCCC1)CCS2 ZINC000035043448 171947160 /nfs/dbraw/zinc/94/71/60/171947160.db2.gz VEAPQPLGRITFFD-OAHLLOKOSA-N 1 0 279.424 4.675 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000035043785 171947178 /nfs/dbraw/zinc/94/71/78/171947178.db2.gz AFJQHYVAMKICGY-OSAQELSMSA-N 1 0 279.424 4.531 10 0 CJAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000035043788 171947518 /nfs/dbraw/zinc/94/75/18/171947518.db2.gz AFJQHYVAMKICGY-CORIIIEPSA-N 1 0 279.424 4.531 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000035043790 171947777 /nfs/dbraw/zinc/94/77/77/171947777.db2.gz AFJQHYVAMKICGY-UXIGCNINSA-N 1 0 279.424 4.531 10 0 CJAERO C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000035043829 171947333 /nfs/dbraw/zinc/94/73/33/171947333.db2.gz ZMPRJPJUJCFTQV-LPQCKEBISA-N 1 0 293.451 4.777 10 0 CJAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000035043831 171947240 /nfs/dbraw/zinc/94/72/40/171947240.db2.gz ZMPRJPJUJCFTQV-SLEUVZQESA-N 1 0 293.451 4.777 10 0 CJAERO CCCCC[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000035046697 171950686 /nfs/dbraw/zinc/95/06/86/171950686.db2.gz FCTUZISDRUCWSP-INIZCTEOSA-N 1 0 259.418 4.617 10 0 CJAERO Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC=CCC1)CCS2 ZINC000035047261 171951130 /nfs/dbraw/zinc/95/11/30/171951130.db2.gz UICMVCKXLPYNFO-SWLSCSKDSA-N 1 0 293.863 4.823 10 0 CJAERO CCC(CC)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000035047293 171950871 /nfs/dbraw/zinc/95/08/71/171950871.db2.gz DAETWALVNQAHJA-AWEZNQCLSA-N 1 0 283.868 4.903 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000035047625 171951192 /nfs/dbraw/zinc/95/11/92/171951192.db2.gz FXXJKLNDWDJEMK-BYCMXARLSA-N 1 0 279.424 4.531 10 0 CJAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000035047633 171951270 /nfs/dbraw/zinc/95/12/70/171951270.db2.gz OCOQAOHJOVADAQ-SLEUVZQESA-N 1 0 279.424 4.531 10 0 CJAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035047672 171950858 /nfs/dbraw/zinc/95/08/58/171950858.db2.gz XOCXVMLAGPIEFW-WFEDQXDTSA-N 1 0 269.432 4.622 10 0 CJAERO COc1ccc([C@H]([NH2+]C2CCCCCCC2)C2CC2)cc1 ZINC000035047723 171951811 /nfs/dbraw/zinc/95/18/11/171951811.db2.gz MJTYWVGYEAGYRK-LJQANCHMSA-N 1 0 287.447 4.849 10 0 CJAERO CCCCCC[C@@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052320 171953275 /nfs/dbraw/zinc/95/32/75/171953275.db2.gz VCLYEMBRJBXNAB-CYBMUJFWSA-N 1 0 291.464 4.587 10 0 CJAERO CCOc1ccc([C@H](C)[NH2+]C2[C@H](C)CCC[C@@H]2C)cc1 ZINC000035052991 171953619 /nfs/dbraw/zinc/95/36/19/171953619.db2.gz SSEMXUUBCOQIJH-ITOLWWRJSA-N 1 0 275.436 4.561 10 0 CJAERO C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000035053197 171954071 /nfs/dbraw/zinc/95/40/71/171954071.db2.gz FTXNQNXQBZNVQZ-HNAYVOBHSA-N 1 0 265.400 4.531 10 0 CJAERO C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000035053198 171953993 /nfs/dbraw/zinc/95/39/93/171953993.db2.gz FTXNQNXQBZNVQZ-DNVCBOLYSA-N 1 0 265.400 4.531 10 0 CJAERO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)CC(C)(C)C1 ZINC000035053229 171953902 /nfs/dbraw/zinc/95/39/02/171953902.db2.gz SDYXNZISEVTASG-JLSDUUJJSA-N 1 0 271.448 4.942 10 0 CJAERO c1ccc([C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C2CC2)cc1 ZINC000035053245 171953517 /nfs/dbraw/zinc/95/35/17/171953517.db2.gz PGNJHXGDUZQSAQ-JOLKWQFUSA-N 1 0 281.443 4.552 10 0 CJAERO CC(C)CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000035054291 171956448 /nfs/dbraw/zinc/95/64/48/171956448.db2.gz CHOULMLYNXMPEM-OAHLLOKOSA-N 1 0 253.817 4.673 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035056759 171960129 /nfs/dbraw/zinc/96/01/29/171960129.db2.gz LLDMUWQUDWVFCT-LBPRGKRZSA-N 1 0 283.799 4.878 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035056761 171960028 /nfs/dbraw/zinc/96/00/28/171960028.db2.gz LLDMUWQUDWVFCT-GFCCVEGCSA-N 1 0 283.799 4.878 10 0 CJAERO CC(C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035056769 171959696 /nfs/dbraw/zinc/95/96/96/171959696.db2.gz WFNMIOZQAFDIBA-UHFFFAOYSA-N 1 0 283.799 4.706 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035056771 171960313 /nfs/dbraw/zinc/96/03/13/171960313.db2.gz OCVLAGDQXVPKSI-UHFFFAOYSA-N 1 0 283.799 4.707 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035057011 171960184 /nfs/dbraw/zinc/96/01/84/171960184.db2.gz MSNCZAINYBCIJD-ZJUUUORDSA-N 1 0 283.799 4.952 10 0 CJAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2sccc2C)cc1 ZINC000035081584 171966061 /nfs/dbraw/zinc/96/60/61/171966061.db2.gz XUXFCWDBLVKLHZ-XHDPSFHLSA-N 1 0 259.418 4.618 10 0 CJAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2ccc(C)s2)cc1 ZINC000035081586 171966756 /nfs/dbraw/zinc/96/67/56/171966756.db2.gz BSLJFISSEUKIJW-ZBEGNZNMSA-N 1 0 259.418 4.618 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccc(C)s2)cc1 ZINC000035081587 171966709 /nfs/dbraw/zinc/96/67/09/171966709.db2.gz BSLJFISSEUKIJW-BDJLRTHQSA-N 1 0 259.418 4.618 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCCCC2 ZINC000035081699 519109584 /nfs/dbraw/zinc/10/95/84/519109584.db2.gz FYMGKTNCPVDGHF-AWEZNQCLSA-N 1 0 297.876 4.780 10 0 CJAERO [NH3+][C@H](c1cc2c(s1)CCC2)c1cc(Cl)ccc1Cl ZINC000035081813 171967387 /nfs/dbraw/zinc/96/73/87/171967387.db2.gz PJRQWGTVZWFBST-AWEZNQCLSA-N 1 0 298.238 4.592 10 0 CJAERO CCCCc1oc2ccccc2c1C[NH2+]CC(C)C ZINC000035112291 171985685 /nfs/dbraw/zinc/98/56/85/171985685.db2.gz ZRHPLSLSSFBCLW-UHFFFAOYSA-N 1 0 259.393 4.521 10 0 CJAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)c2cccs2)cc1 ZINC000035117289 171987623 /nfs/dbraw/zinc/98/76/23/171987623.db2.gz DFUIIMAKHKVATQ-BLLLJJGKSA-N 1 0 259.418 4.570 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000035133982 172000099 /nfs/dbraw/zinc/00/00/99/172000099.db2.gz ZOTCQFYVFULRGH-GFCCVEGCSA-N 1 0 273.342 4.764 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000035133984 172000229 /nfs/dbraw/zinc/00/02/29/172000229.db2.gz UUMFVWXDSLWLNA-OAHLLOKOSA-N 1 0 255.405 4.898 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000035133985 172000353 /nfs/dbraw/zinc/00/03/53/172000353.db2.gz UUMFVWXDSLWLNA-HNNXBMFYSA-N 1 0 255.405 4.898 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000035133988 172000002 /nfs/dbraw/zinc/00/00/02/172000002.db2.gz AOMADMKUKLEGMS-GFCCVEGCSA-N 1 0 284.241 4.508 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000035134004 172000301 /nfs/dbraw/zinc/00/03/01/172000301.db2.gz JPZFERYEIUCMSS-GFCCVEGCSA-N 1 0 273.342 4.764 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1ccc(OCCCC)cc1 ZINC000035134007 172000175 /nfs/dbraw/zinc/00/01/75/172000175.db2.gz REZJKIBLSVFOIY-INIZCTEOSA-N 1 0 277.452 4.924 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000035134066 172000087 /nfs/dbraw/zinc/00/00/87/172000087.db2.gz LHKHWFZVHWAJAG-OAHLLOKOSA-N 1 0 255.405 4.898 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1ccc(OCCC)cc1 ZINC000035134071 172000339 /nfs/dbraw/zinc/00/03/39/172000339.db2.gz UOLIFOWUVHWTIQ-HNNXBMFYSA-N 1 0 263.425 4.534 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000035134075 172000123 /nfs/dbraw/zinc/00/01/23/172000123.db2.gz QHOVNWKXRJAUDQ-HNNXBMFYSA-N 1 0 285.431 4.907 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000035135732 172002889 /nfs/dbraw/zinc/00/28/89/172002889.db2.gz FZYWJSTYCWJOCA-SNVBAGLBSA-N 1 0 290.270 4.569 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000035135734 172002780 /nfs/dbraw/zinc/00/27/80/172002780.db2.gz FZYWJSTYCWJOCA-JTQLQIEISA-N 1 0 290.270 4.569 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000035135746 172002913 /nfs/dbraw/zinc/00/29/13/172002913.db2.gz YWXBDXCUAQXBMH-SNVBAGLBSA-N 1 0 290.270 4.569 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000035135747 172002862 /nfs/dbraw/zinc/00/28/62/172002862.db2.gz YWXBDXCUAQXBMH-JTQLQIEISA-N 1 0 290.270 4.569 10 0 CJAERO CCCCc1oc2ccccc2c1C[NH2+][C@@H](C)C1CC1 ZINC000035136728 172003934 /nfs/dbraw/zinc/00/39/34/172003934.db2.gz LNKQSIPYYFULPM-ZDUSSCGKSA-N 1 0 271.404 4.664 10 0 CJAERO CCCCc1oc2ccccc2c1C[NH2+][C@H](C)C1CC1 ZINC000035136730 172004099 /nfs/dbraw/zinc/00/40/99/172004099.db2.gz LNKQSIPYYFULPM-CYBMUJFWSA-N 1 0 271.404 4.664 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000035136754 172004135 /nfs/dbraw/zinc/00/41/35/172004135.db2.gz CCXKBGQXPDTNMX-NFOMZHRRSA-N 1 0 263.425 4.925 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000035136756 172004141 /nfs/dbraw/zinc/00/41/41/172004141.db2.gz CCXKBGQXPDTNMX-WLYUNCDWSA-N 1 0 263.425 4.925 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000035136921 172003800 /nfs/dbraw/zinc/00/38/00/172003800.db2.gz GFJMQIMHUXHLFD-HNNXBMFYSA-N 1 0 277.367 4.797 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000035136923 172003630 /nfs/dbraw/zinc/00/36/30/172003630.db2.gz GFJMQIMHUXHLFD-OAHLLOKOSA-N 1 0 277.367 4.797 10 0 CJAERO CCC(C)(C)C1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000035137786 172005835 /nfs/dbraw/zinc/00/58/35/172005835.db2.gz FNHXZKDLNQNGEI-UHFFFAOYSA-N 1 0 291.454 4.953 10 0 CJAERO CC(C)(C)C1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000035137878 172005921 /nfs/dbraw/zinc/00/59/21/172005921.db2.gz GLRIQENAOJPSPY-UHFFFAOYSA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137912 172005611 /nfs/dbraw/zinc/00/56/11/172005611.db2.gz QDPSSTYITPWULZ-SJORKVTESA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137914 172006042 /nfs/dbraw/zinc/00/60/42/172006042.db2.gz QDPSSTYITPWULZ-IRXDYDNUSA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137915 172005296 /nfs/dbraw/zinc/00/52/96/172005296.db2.gz QDPSSTYITPWULZ-IAGOWNOFSA-N 1 0 277.427 4.563 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000035137917 172005336 /nfs/dbraw/zinc/00/53/36/172005336.db2.gz QDPSSTYITPWULZ-DLBZAZTESA-N 1 0 277.427 4.563 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000035148705 172010715 /nfs/dbraw/zinc/01/07/15/172010715.db2.gz NGCSWPSCKOYORX-GFCCVEGCSA-N 1 0 289.341 4.644 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000035148706 172010433 /nfs/dbraw/zinc/01/04/33/172010433.db2.gz NGCSWPSCKOYORX-LBPRGKRZSA-N 1 0 289.341 4.644 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000035149353 172011319 /nfs/dbraw/zinc/01/13/19/172011319.db2.gz ORPAIHXDHWYSGO-GFCCVEGCSA-N 1 0 289.341 4.644 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000035149354 172011643 /nfs/dbraw/zinc/01/16/43/172011643.db2.gz ORPAIHXDHWYSGO-LBPRGKRZSA-N 1 0 289.341 4.644 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161707 172021224 /nfs/dbraw/zinc/02/12/24/172021224.db2.gz YQDCJYREGZBWQH-RGYNNNPXSA-N 1 0 263.469 4.617 10 0 CJAERO CCCC[C@H](CC)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161708 172021290 /nfs/dbraw/zinc/02/12/90/172021290.db2.gz YQDCJYREGZBWQH-CXTNYUCXSA-N 1 0 263.469 4.617 10 0 CJAERO C1C2CC3CC1CC(C2)C3[NH2+]C1CCCCCCC1 ZINC000035161808 172021049 /nfs/dbraw/zinc/02/10/49/172021049.db2.gz BQVRBQOPZYOXHT-UHFFFAOYSA-N 1 0 261.453 4.514 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161821 172021276 /nfs/dbraw/zinc/02/12/76/172021276.db2.gz XQQUGOBZAFXFHH-RGYNNNPXSA-N 1 0 263.469 4.616 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161822 172021068 /nfs/dbraw/zinc/02/10/68/172021068.db2.gz XQQUGOBZAFXFHH-CXTNYUCXSA-N 1 0 263.469 4.616 10 0 CJAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1Cl ZINC000035162017 172022468 /nfs/dbraw/zinc/02/24/68/172022468.db2.gz GCKJQNDKNDTZOB-XZELYNGVSA-N 1 0 289.850 4.815 10 0 CJAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1Cl ZINC000035162018 172021885 /nfs/dbraw/zinc/02/18/85/172021885.db2.gz GCKJQNDKNDTZOB-NSVFZLEXSA-N 1 0 289.850 4.815 10 0 CJAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cccc(Cl)c1 ZINC000035162021 172022070 /nfs/dbraw/zinc/02/20/70/172022070.db2.gz DEEUUSGTIJYNKT-CJQSEUFMSA-N 1 0 289.850 4.815 10 0 CJAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cccc(Cl)c1 ZINC000035162022 172022233 /nfs/dbraw/zinc/02/22/33/172022233.db2.gz DEEUUSGTIJYNKT-TWGAKMIASA-N 1 0 289.850 4.815 10 0 CJAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000035162023 330242962 /nfs/dbraw/zinc/24/29/62/330242962.db2.gz AYXRODPWVRFJRW-ZDUSSCGKSA-N 1 0 289.806 4.508 10 0 CJAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 ZINC000035162045 172022434 /nfs/dbraw/zinc/02/24/34/172022434.db2.gz GPYKKJHURNTNIZ-CJQSEUFMSA-N 1 0 289.850 4.815 10 0 CJAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 ZINC000035162046 172022026 /nfs/dbraw/zinc/02/20/26/172022026.db2.gz GPYKKJHURNTNIZ-TWGAKMIASA-N 1 0 289.850 4.815 10 0 CJAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000035162047 172021980 /nfs/dbraw/zinc/02/19/80/172021980.db2.gz ZXRMLXOBRLACHC-ZDUSSCGKSA-N 1 0 289.806 4.508 10 0 CJAERO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000035162048 172022127 /nfs/dbraw/zinc/02/21/27/172022127.db2.gz ZXRMLXOBRLACHC-CYBMUJFWSA-N 1 0 289.806 4.508 10 0 CJAERO CCC(C)(C)C1CCC(CN)([N@H+](C)C2CCCCC2)CC1 ZINC000035176647 172029025 /nfs/dbraw/zinc/02/90/25/172029025.db2.gz WBRUWKSOBZCSAR-UHFFFAOYSA-N 1 0 294.527 4.575 10 0 CJAERO CC[N@H+](C1CCCCC1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000035176743 172030052 /nfs/dbraw/zinc/03/00/52/172030052.db2.gz AABGMVBGKPEXGE-UHFFFAOYSA-N 1 0 294.527 4.575 10 0 CJAERO Fc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000035180085 172033306 /nfs/dbraw/zinc/03/33/06/172033306.db2.gz KMKNTVOIYKRVJD-KRWDZBQOSA-N 1 0 289.781 4.646 10 0 CJAERO Fc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000035180086 172033621 /nfs/dbraw/zinc/03/36/21/172033621.db2.gz KMKNTVOIYKRVJD-QGZVFWFLSA-N 1 0 289.781 4.646 10 0 CJAERO Cc1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2[nH+]1 ZINC000035206359 172049906 /nfs/dbraw/zinc/04/99/06/172049906.db2.gz QUSCVBVEPNMKFD-UHFFFAOYSA-N 1 0 286.737 4.501 10 0 CJAERO Cc1cc(NC2CCCCCC2)c2ccccc2[nH+]1 ZINC000035206366 172049753 /nfs/dbraw/zinc/04/97/53/172049753.db2.gz LOJBBYNQICWLBI-UHFFFAOYSA-N 1 0 254.377 4.678 10 0 CJAERO Cc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2[nH+]1 ZINC000035206379 172049951 /nfs/dbraw/zinc/04/99/51/172049951.db2.gz YPSPNKREPORIMJ-IVMMDQJWSA-N 1 0 268.404 4.780 10 0 CJAERO Cc1cc(N[C@@H](C)c2cccs2)c2ccccc2[nH+]1 ZINC000035206732 172050997 /nfs/dbraw/zinc/05/09/97/172050997.db2.gz SGQOHIPOTUCDHR-LBPRGKRZSA-N 1 0 268.385 4.778 10 0 CJAERO Cc1cc(N[C@H](C)c2cccs2)c2ccccc2[nH+]1 ZINC000035206733 172051136 /nfs/dbraw/zinc/05/11/36/172051136.db2.gz SGQOHIPOTUCDHR-GFCCVEGCSA-N 1 0 268.385 4.778 10 0 CJAERO CC[N@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000035219744 172060504 /nfs/dbraw/zinc/06/05/04/172060504.db2.gz GTSKUFRXZPSSHH-RYQLBKOJSA-N 1 0 294.527 4.573 10 0 CJAERO C[N@H+](C1CCCCC1)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000035219771 172061231 /nfs/dbraw/zinc/06/12/31/172061231.db2.gz MKQTYBWQUTXKIW-RBUKOAKNSA-N 1 0 294.527 4.861 10 0 CJAERO C[N@H+](C1CCCCC1)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000035219772 172061304 /nfs/dbraw/zinc/06/13/04/172061304.db2.gz MKQTYBWQUTXKIW-OALUTQOASA-N 1 0 294.527 4.861 10 0 CJAERO CCC(CC)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000035231428 172071718 /nfs/dbraw/zinc/07/17/18/172071718.db2.gz NNNZWOSCMTYHNC-NSHDSACASA-N 1 0 284.241 4.536 10 0 CJAERO CCC(CC)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000035231430 172071756 /nfs/dbraw/zinc/07/17/56/172071756.db2.gz NNNZWOSCMTYHNC-LLVKDONJSA-N 1 0 284.241 4.536 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000035231766 172071825 /nfs/dbraw/zinc/07/18/25/172071825.db2.gz LSUPOWRMPKPTDK-MRVWCRGKSA-N 1 0 285.884 4.952 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000035231769 172071572 /nfs/dbraw/zinc/07/15/72/172071572.db2.gz LSUPOWRMPKPTDK-KWCYVHTRSA-N 1 0 285.884 4.952 10 0 CJAERO CCC(CC)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000035231825 172071810 /nfs/dbraw/zinc/07/18/10/172071810.db2.gz UVWJVYILMJQVNR-NSHDSACASA-N 1 0 273.342 4.792 10 0 CJAERO CCC(CC)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000035231827 172071487 /nfs/dbraw/zinc/07/14/87/172071487.db2.gz UVWJVYILMJQVNR-LLVKDONJSA-N 1 0 273.342 4.792 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(Cl)s1 ZINC000035232545 184537553 /nfs/dbraw/zinc/53/75/53/184537553.db2.gz HNVZEIFUMRXKFX-VWYCJHECSA-N 1 0 257.830 4.631 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)s1 ZINC000035232549 184537563 /nfs/dbraw/zinc/53/75/63/184537563.db2.gz HNVZEIFUMRXKFX-OUAUKWLOSA-N 1 0 257.830 4.631 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(Cl)s1 ZINC000035232553 184537562 /nfs/dbraw/zinc/53/75/62/184537562.db2.gz PUJYRMJTPRMWSF-DCAQKATOSA-N 1 0 257.830 4.631 10 0 CJAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(Cl)s1 ZINC000035232570 184537525 /nfs/dbraw/zinc/53/75/25/184537525.db2.gz OPIOXWSOZXTVBK-SNVBAGLBSA-N 1 0 257.830 4.775 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000035253096 172082570 /nfs/dbraw/zinc/08/25/70/172082570.db2.gz LIPJGCWZBVJWHT-GRTSSRMGSA-N 1 0 265.466 4.984 10 0 CJAERO CCC1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000035253097 172082340 /nfs/dbraw/zinc/08/23/40/172082340.db2.gz LIPJGCWZBVJWHT-LRVUVFPRSA-N 1 0 265.466 4.984 10 0 CJAERO Clc1ccc(Cl)c(C[NH2+]CC2CCCC2)c1Cl ZINC000035253169 172082535 /nfs/dbraw/zinc/08/25/35/172082535.db2.gz OQUPKZXIFUWRAS-UHFFFAOYSA-N 1 0 292.637 4.927 10 0 CJAERO c1cc(-c2ccccc2)sc1C[NH2+]CC1CCCC1 ZINC000035253186 172082778 /nfs/dbraw/zinc/08/27/78/172082778.db2.gz TZZVCXHPOQQQRB-UHFFFAOYSA-N 1 0 271.429 4.695 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000035253390 172083071 /nfs/dbraw/zinc/08/30/71/172083071.db2.gz WCDWWLCAZVCKIA-QMMMGPOBSA-N 1 0 287.762 4.531 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000035253392 172083342 /nfs/dbraw/zinc/08/33/42/172083342.db2.gz WCDWWLCAZVCKIA-MRVPVSSYSA-N 1 0 287.762 4.531 10 0 CJAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000035253397 172083359 /nfs/dbraw/zinc/08/33/59/172083359.db2.gz UOHJHAAIEMACJI-NSHDSACASA-N 1 0 279.836 4.815 10 0 CJAERO CCc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1 ZINC000035253399 172083409 /nfs/dbraw/zinc/08/34/09/172083409.db2.gz UOHJHAAIEMACJI-LLVKDONJSA-N 1 0 279.836 4.815 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000035253459 172083348 /nfs/dbraw/zinc/08/33/48/172083348.db2.gz WWYMYXFDTOOMGW-QMMMGPOBSA-N 1 0 287.762 4.531 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000035253460 172083601 /nfs/dbraw/zinc/08/36/01/172083601.db2.gz WWYMYXFDTOOMGW-MRVPVSSYSA-N 1 0 287.762 4.531 10 0 CJAERO Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc(C)c1O ZINC000035253526 330244523 /nfs/dbraw/zinc/24/45/23/330244523.db2.gz OPAIDSVHZANVIR-LLVKDONJSA-N 1 0 295.835 4.575 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1C ZINC000035253554 172083082 /nfs/dbraw/zinc/08/30/82/172083082.db2.gz DNTYAYBPZXFFGW-LBPRGKRZSA-N 1 0 279.836 4.869 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1C ZINC000035253556 172083369 /nfs/dbraw/zinc/08/33/69/172083369.db2.gz DNTYAYBPZXFFGW-GFCCVEGCSA-N 1 0 279.836 4.869 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000035254253 172084279 /nfs/dbraw/zinc/08/42/79/172084279.db2.gz ZNZMUJHLIUPFPJ-NFOMZHRRSA-N 1 0 265.466 4.628 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000035254255 172083978 /nfs/dbraw/zinc/08/39/78/172083978.db2.gz ZNZMUJHLIUPFPJ-WLYUNCDWSA-N 1 0 265.466 4.628 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000035255182 172084668 /nfs/dbraw/zinc/08/46/68/172084668.db2.gz KZBCNLQYJKDNQF-LSDHHAIUSA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)s1 ZINC000035255183 172084708 /nfs/dbraw/zinc/08/47/08/172084708.db2.gz KZBCNLQYJKDNQF-GJZGRUSLSA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000035255184 172084473 /nfs/dbraw/zinc/08/44/73/172084473.db2.gz KZBCNLQYJKDNQF-HUUCEWRRSA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)s1 ZINC000035255185 172084604 /nfs/dbraw/zinc/08/46/04/172084604.db2.gz KZBCNLQYJKDNQF-CABCVRRESA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000035255190 172084859 /nfs/dbraw/zinc/08/48/59/172084859.db2.gz GPLNNNMYQRISOP-UONOGXRCSA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000035255191 172084569 /nfs/dbraw/zinc/08/45/69/172084569.db2.gz GPLNNNMYQRISOP-KBPBESRZSA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000035255192 172084589 /nfs/dbraw/zinc/08/45/89/172084589.db2.gz GPLNNNMYQRISOP-ZIAGYGMSSA-N 1 0 265.466 4.751 10 0 CJAERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000035255193 172084446 /nfs/dbraw/zinc/08/44/46/172084446.db2.gz GPLNNNMYQRISOP-KGLIPLIRSA-N 1 0 265.466 4.751 10 0 CJAERO CCC(CC)[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035255941 172086316 /nfs/dbraw/zinc/08/63/16/172086316.db2.gz QBYCMHNIYOUIKN-UHFFFAOYSA-N 1 0 265.447 4.755 10 0 CJAERO CC(C)CC[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035255951 172086232 /nfs/dbraw/zinc/08/62/32/172086232.db2.gz LFWLMGLJIUHJIS-UHFFFAOYSA-N 1 0 265.447 4.612 10 0 CJAERO CCCCC[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035255964 172086184 /nfs/dbraw/zinc/08/61/84/172086184.db2.gz VNDCLSYBNFOBKA-UHFFFAOYSA-N 1 0 265.447 4.756 10 0 CJAERO c1csc(-c2csc(C[NH2+]C3CCCCC3)c2)c1 ZINC000035255982 172086040 /nfs/dbraw/zinc/08/60/40/172086040.db2.gz BPHDGFUHMPEMRQ-UHFFFAOYSA-N 1 0 277.458 4.899 10 0 CJAERO c1csc(-c2csc(C[NH2+]CC3CCCC3)c2)c1 ZINC000035256141 172086491 /nfs/dbraw/zinc/08/64/91/172086491.db2.gz HOCYGXGCLAXNFT-UHFFFAOYSA-N 1 0 277.458 4.756 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000035256299 172086120 /nfs/dbraw/zinc/08/61/20/172086120.db2.gz RTEPCYNQXGXPQY-DCBWTQNWSA-N 1 0 267.363 4.584 10 0 CJAERO CCC1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000035256300 172086364 /nfs/dbraw/zinc/08/63/64/172086364.db2.gz RTEPCYNQXGXPQY-LKSINWNRSA-N 1 0 267.363 4.584 10 0 CJAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000035256772 172087335 /nfs/dbraw/zinc/08/73/35/172087335.db2.gz SSLOQSPUKFSQQI-ZFWWWQNUSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000035256773 172087382 /nfs/dbraw/zinc/08/73/82/172087382.db2.gz SSLOQSPUKFSQQI-UKRRQHHQSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000035256774 172087286 /nfs/dbraw/zinc/08/72/86/172087286.db2.gz SSLOQSPUKFSQQI-DZGCQCFKSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000035256791 172087338 /nfs/dbraw/zinc/08/73/38/172087338.db2.gz HVRXLFHVPGMMQU-HIFRSBDPSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000035256792 172087675 /nfs/dbraw/zinc/08/76/75/172087675.db2.gz HVRXLFHVPGMMQU-ZFWWWQNUSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000035256793 172087710 /nfs/dbraw/zinc/08/77/10/172087710.db2.gz HVRXLFHVPGMMQU-UKRRQHHQSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000035256794 172087664 /nfs/dbraw/zinc/08/76/64/172087664.db2.gz HVRXLFHVPGMMQU-DZGCQCFKSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000035256831 172087332 /nfs/dbraw/zinc/08/73/32/172087332.db2.gz CNNPIGAULQHISQ-DOMZBBRYSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000035256832 172087677 /nfs/dbraw/zinc/08/76/77/172087677.db2.gz CNNPIGAULQHISQ-WFASDCNBSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000035256833 172087315 /nfs/dbraw/zinc/08/73/15/172087315.db2.gz CNNPIGAULQHISQ-IUODEOHRSA-N 1 0 296.252 4.508 10 0 CJAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000035256834 172087712 /nfs/dbraw/zinc/08/77/12/172087712.db2.gz CNNPIGAULQHISQ-SWLSCSKDSA-N 1 0 296.252 4.508 10 0 CJAERO CCCC1CCC([NH2+][C@@H]2CCCC[C@@H]2CC)CC1 ZINC000035257187 172087498 /nfs/dbraw/zinc/08/74/98/172087498.db2.gz UFJDISOCRIMXOH-ODZFXCKXSA-N 1 0 251.458 4.904 10 0 CJAERO CCCC1CCC([NH2+][C@H]2CCCC[C@@H]2CC)CC1 ZINC000035257188 172087643 /nfs/dbraw/zinc/08/76/43/172087643.db2.gz UFJDISOCRIMXOH-XGHPGWEVSA-N 1 0 251.458 4.904 10 0 CJAERO CCCC1CCC([NH2+][C@@H]2CCCC[C@H]2CC)CC1 ZINC000035257189 172087269 /nfs/dbraw/zinc/08/72/69/172087269.db2.gz UFJDISOCRIMXOH-MNAZLIDISA-N 1 0 251.458 4.904 10 0 CJAERO CCCC1CCC([NH2+][C@H]2CCCC[C@H]2CC)CC1 ZINC000035257190 172087495 /nfs/dbraw/zinc/08/74/95/172087495.db2.gz UFJDISOCRIMXOH-MYBQVCMBSA-N 1 0 251.458 4.904 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000035257243 172087988 /nfs/dbraw/zinc/08/79/88/172087988.db2.gz VZWXXLHYNMSYCF-UHFFFAOYSA-N 1 0 259.846 4.706 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1Br ZINC000035257255 172088263 /nfs/dbraw/zinc/08/82/63/172088263.db2.gz PHIPNLISTGEUJL-UHFFFAOYSA-N 1 0 298.268 4.754 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035257341 172088322 /nfs/dbraw/zinc/08/83/22/172088322.db2.gz NVOYOVMAAYAGPU-UHFFFAOYSA-N 1 0 263.469 4.616 10 0 CJAERO CC[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000035257438 172088038 /nfs/dbraw/zinc/08/80/38/172088038.db2.gz VDPULVVUXMUAAH-BBRMVZONSA-N 1 0 263.812 4.737 10 0 CJAERO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000035257439 172087947 /nfs/dbraw/zinc/08/79/47/172087947.db2.gz VDPULVVUXMUAAH-XJKSGUPXSA-N 1 0 263.812 4.737 10 0 CJAERO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000035257440 172088113 /nfs/dbraw/zinc/08/81/13/172088113.db2.gz VDPULVVUXMUAAH-CJNGLKHVSA-N 1 0 263.812 4.737 10 0 CJAERO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000035257441 172088239 /nfs/dbraw/zinc/08/82/39/172088239.db2.gz VDPULVVUXMUAAH-CZUORRHYSA-N 1 0 263.812 4.737 10 0 CJAERO CCC(CC)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000035257446 172088291 /nfs/dbraw/zinc/08/82/91/172088291.db2.gz OEBNUOJYEVNNTG-HNNXBMFYSA-N 1 0 253.817 4.817 10 0 CJAERO CCC(CC)C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000035257447 172088348 /nfs/dbraw/zinc/08/83/48/172088348.db2.gz OEBNUOJYEVNNTG-OAHLLOKOSA-N 1 0 253.817 4.817 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000035257510 172088096 /nfs/dbraw/zinc/08/80/96/172088096.db2.gz FCMDVYYYWPQHPX-DTWKUNHWSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000035257511 534411995 /nfs/dbraw/zinc/41/19/95/534411995.db2.gz FCMDVYYYWPQHPX-IUCAKERBSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000035257512 172087990 /nfs/dbraw/zinc/08/79/90/172087990.db2.gz FCMDVYYYWPQHPX-RKDXNWHRSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000035257513 172088009 /nfs/dbraw/zinc/08/80/09/172088009.db2.gz FCMDVYYYWPQHPX-BDAKNGLRSA-N 1 0 297.773 4.612 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000035257580 330244877 /nfs/dbraw/zinc/24/48/77/330244877.db2.gz LIPGDEKWJMVIAK-HUUCEWRRSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000035257601 330244761 /nfs/dbraw/zinc/24/47/61/330244761.db2.gz HCMZIINSSFCQRV-CABCVRRESA-N 1 0 299.380 4.823 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000035257662 330244859 /nfs/dbraw/zinc/24/48/59/330244859.db2.gz VBWOBDKXGSHNBH-LSDHHAIUSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000035257663 330244921 /nfs/dbraw/zinc/24/49/21/330244921.db2.gz VBWOBDKXGSHNBH-GJZGRUSLSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000035257664 330244846 /nfs/dbraw/zinc/24/48/46/330244846.db2.gz VBWOBDKXGSHNBH-HUUCEWRRSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000035257665 330244730 /nfs/dbraw/zinc/24/47/30/330244730.db2.gz VBWOBDKXGSHNBH-CABCVRRESA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000035257737 330245198 /nfs/dbraw/zinc/24/51/98/330245198.db2.gz ANZLFHJBCADQLA-CVEARBPZSA-N 1 0 299.380 4.823 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000035257768 330245162 /nfs/dbraw/zinc/24/51/62/330245162.db2.gz JYUJGVMIFLGKCK-STQMWFEESA-N 1 0 297.320 4.644 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000035257769 330245142 /nfs/dbraw/zinc/24/51/42/330245142.db2.gz JYUJGVMIFLGKCK-CHWSQXEVSA-N 1 0 297.320 4.644 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000035257770 330245138 /nfs/dbraw/zinc/24/51/38/330245138.db2.gz JYUJGVMIFLGKCK-OLZOCXBDSA-N 1 0 297.320 4.644 10 0 CJAERO CCC1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000035257919 330245113 /nfs/dbraw/zinc/24/51/13/330245113.db2.gz ZINAQHYISHVICA-GNRIBBGQSA-N 1 0 277.374 4.666 10 0 CJAERO CCC1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000035257921 330245117 /nfs/dbraw/zinc/24/51/17/330245117.db2.gz ZINAQHYISHVICA-YIOUJQMASA-N 1 0 277.374 4.666 10 0 CJAERO CCC1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000035257924 330245111 /nfs/dbraw/zinc/24/51/11/330245111.db2.gz ZINAQHYISHVICA-FKZOYECMSA-N 1 0 277.374 4.666 10 0 CJAERO CCC1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000035257926 330245061 /nfs/dbraw/zinc/24/50/61/330245061.db2.gz ZINAQHYISHVICA-HHTDUIENSA-N 1 0 277.374 4.666 10 0 CJAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000035257957 172089441 /nfs/dbraw/zinc/08/94/41/172089441.db2.gz PBAATTCRWJRIRD-VHSXEESVSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000035257958 172089309 /nfs/dbraw/zinc/08/93/09/172089309.db2.gz PBAATTCRWJRIRD-UWVGGRQHSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000035257959 172089485 /nfs/dbraw/zinc/08/94/85/172089485.db2.gz PBAATTCRWJRIRD-NXEZZACHSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000035257961 172089513 /nfs/dbraw/zinc/08/95/13/172089513.db2.gz PBAATTCRWJRIRD-ZJUUUORDSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000035258284 172089691 /nfs/dbraw/zinc/08/96/91/172089691.db2.gz UIJLCJLXARCWQN-UONOGXRCSA-N 1 0 277.374 4.810 10 0 CJAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000035258285 172089237 /nfs/dbraw/zinc/08/92/37/172089237.db2.gz UIJLCJLXARCWQN-KBPBESRZSA-N 1 0 277.374 4.810 10 0 CJAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000035258286 172089736 /nfs/dbraw/zinc/08/97/36/172089736.db2.gz UIJLCJLXARCWQN-ZIAGYGMSSA-N 1 0 277.374 4.810 10 0 CJAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000035258287 172090527 /nfs/dbraw/zinc/09/05/27/172090527.db2.gz UIJLCJLXARCWQN-KGLIPLIRSA-N 1 0 277.374 4.810 10 0 CJAERO FC(F)(F)C1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000035258353 172090120 /nfs/dbraw/zinc/09/01/20/172090120.db2.gz BZFHCOWLAPXENY-UHFFFAOYSA-N 1 0 291.744 4.551 10 0 CJAERO Cc1cc(C)c(C[NH2+]C2CCC(C(F)(F)F)CC2)c(C)c1 ZINC000035258364 330245212 /nfs/dbraw/zinc/24/52/12/330245212.db2.gz BAUMJORCUCGCEZ-UHFFFAOYSA-N 1 0 299.380 4.823 10 0 CJAERO Cc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1C ZINC000035258380 330245096 /nfs/dbraw/zinc/24/50/96/330245096.db2.gz UBKVEHFDJOPYFZ-UHFFFAOYSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cc(C)c(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1C ZINC000035258399 330245175 /nfs/dbraw/zinc/24/51/75/330245175.db2.gz NKKNLULZZSLKSR-UHFFFAOYSA-N 1 0 299.380 4.823 10 0 CJAERO FC(F)(F)C1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000035258408 330245065 /nfs/dbraw/zinc/24/50/65/330245065.db2.gz KRCUUQKUPBLXSQ-UHFFFAOYSA-N 1 0 297.320 4.644 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC(C)(C)C1 ZINC000035258414 330245108 /nfs/dbraw/zinc/24/51/08/330245108.db2.gz IBTKIMCIKZJQCJ-RYSNWHEDSA-N 1 0 291.401 4.912 10 0 CJAERO C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC(C)(C)C1 ZINC000035258415 326815893 /nfs/dbraw/zinc/81/58/93/326815893.db2.gz IBTKIMCIKZJQCJ-ABXWRUBCSA-N 1 0 291.401 4.912 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC(C)(C)C1 ZINC000035258416 330245191 /nfs/dbraw/zinc/24/51/91/330245191.db2.gz IBTKIMCIKZJQCJ-BLYZHGLHSA-N 1 0 291.401 4.912 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC(C)(C)C1 ZINC000035258417 330245063 /nfs/dbraw/zinc/24/50/63/330245063.db2.gz IBTKIMCIKZJQCJ-GFJIZPEISA-N 1 0 291.401 4.912 10 0 CJAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000035276392 172097047 /nfs/dbraw/zinc/09/70/47/172097047.db2.gz ZIVACVURCGEYOD-JKDOVBDQSA-N 1 0 289.316 4.597 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1 ZINC000035276394 172096742 /nfs/dbraw/zinc/09/67/42/172096742.db2.gz ZIVACVURCGEYOD-PWQPVHBWSA-N 1 0 289.316 4.597 10 0 CJAERO C[NH2+][C@@H](c1ccc(-c2cc(Cl)ccc2F)s1)C1CC1 ZINC000035284853 172103244 /nfs/dbraw/zinc/10/32/44/172103244.db2.gz RQHWQMCATQPFSA-OAHLLOKOSA-N 1 0 295.810 4.878 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2cc(Cl)ccc2F)s1)C1CC1 ZINC000035284855 172103288 /nfs/dbraw/zinc/10/32/88/172103288.db2.gz RQHWQMCATQPFSA-HNNXBMFYSA-N 1 0 295.810 4.878 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284894 172103642 /nfs/dbraw/zinc/10/36/42/172103642.db2.gz BRWBHVZCSNUKIS-NSHDSACASA-N 1 0 269.772 4.617 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284896 172103748 /nfs/dbraw/zinc/10/37/48/172103748.db2.gz BRWBHVZCSNUKIS-LLVKDONJSA-N 1 0 269.772 4.617 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035286020 330245625 /nfs/dbraw/zinc/24/56/25/330245625.db2.gz CNLRNIYXNKLWCR-QWRGUYRKSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035286022 330245513 /nfs/dbraw/zinc/24/55/13/330245513.db2.gz CNLRNIYXNKLWCR-MNOVXSKESA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035286023 330245485 /nfs/dbraw/zinc/24/54/85/330245485.db2.gz CNLRNIYXNKLWCR-WDEREUQCSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035286025 330245731 /nfs/dbraw/zinc/24/57/31/330245731.db2.gz CNLRNIYXNKLWCR-GHMZBOCLSA-N 1 0 295.835 4.822 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cccs1 ZINC000035286272 172104461 /nfs/dbraw/zinc/10/44/61/172104461.db2.gz XOLZSKAQJBGNFF-IUCAKERBSA-N 1 0 271.838 4.875 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cccs1 ZINC000035286273 172104172 /nfs/dbraw/zinc/10/41/72/172104172.db2.gz XOLZSKAQJBGNFF-BDAKNGLRSA-N 1 0 271.838 4.875 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(Cl)s1 ZINC000035286274 172104572 /nfs/dbraw/zinc/10/45/72/172104572.db2.gz XOLZSKAQJBGNFF-DTWKUNHWSA-N 1 0 271.838 4.875 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cccs1 ZINC000035286275 172104524 /nfs/dbraw/zinc/10/45/24/172104524.db2.gz XOLZSKAQJBGNFF-RKDXNWHRSA-N 1 0 271.838 4.875 10 0 CJAERO [NH3+][C@@H](c1cccs1)c1ccc(C2CCCCC2)cc1 ZINC000035380665 172163176 /nfs/dbraw/zinc/16/31/76/172163176.db2.gz LGEMTTQMOYBCCY-QGZVFWFLSA-N 1 0 271.429 4.844 10 0 CJAERO [NH3+][C@H](c1cccs1)c1ccc(C2CCCCC2)cc1 ZINC000035380668 172163687 /nfs/dbraw/zinc/16/36/87/172163687.db2.gz LGEMTTQMOYBCCY-KRWDZBQOSA-N 1 0 271.429 4.844 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc3c(s2)CCCCC3)s1 ZINC000035380858 172163344 /nfs/dbraw/zinc/16/33/44/172163344.db2.gz NXIWZLXPFMLHGC-INIZCTEOSA-N 1 0 291.485 4.689 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc3c(s2)CCCCC3)s1 ZINC000035380859 172163026 /nfs/dbraw/zinc/16/30/26/172163026.db2.gz NXIWZLXPFMLHGC-MRXNPFEDSA-N 1 0 291.485 4.689 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2c(C)c(C)c(C)c(C)c2C)s1 ZINC000035380898 172163538 /nfs/dbraw/zinc/16/35/38/172163538.db2.gz OVTRGNIQWPTQOV-KRWDZBQOSA-N 1 0 273.445 4.647 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2c(C)c(C)c(C)c(C)c2C)s1 ZINC000035380900 172163348 /nfs/dbraw/zinc/16/33/48/172163348.db2.gz OVTRGNIQWPTQOV-QGZVFWFLSA-N 1 0 273.445 4.647 10 0 CJAERO CCCC[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2s1 ZINC000035411282 172182694 /nfs/dbraw/zinc/18/26/94/172182694.db2.gz ZFZVJEAKCJCCIB-VIFPVBQESA-N 1 0 288.338 4.505 10 0 CJAERO CCCC[C@@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2s1 ZINC000035411283 172182765 /nfs/dbraw/zinc/18/27/65/172182765.db2.gz ZFZVJEAKCJCCIB-SECBINFHSA-N 1 0 288.338 4.505 10 0 CJAERO CCCCCCOc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427230 172194465 /nfs/dbraw/zinc/19/44/65/172194465.db2.gz YLJCCUJAWKVTKG-AWEZNQCLSA-N 1 0 271.404 4.819 10 0 CJAERO C[C@@H]([NH3+])c1ccc2ccccc2c1OC1CCCCC1 ZINC000035427279 172194902 /nfs/dbraw/zinc/19/49/02/172194902.db2.gz MUNICGCWKUSVEP-CYBMUJFWSA-N 1 0 269.388 4.571 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035457531 172207793 /nfs/dbraw/zinc/20/77/93/172207793.db2.gz QBCSTROQOVDRSH-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035457534 172207584 /nfs/dbraw/zinc/20/75/84/172207584.db2.gz QBCSTROQOVDRSH-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)c1c(Cl)cccc1Cl ZINC000035457873 172207296 /nfs/dbraw/zinc/20/72/96/172207296.db2.gz MBAXYFNZMVQBBB-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1c(Cl)cccc1Cl ZINC000035457877 172207376 /nfs/dbraw/zinc/20/73/76/172207376.db2.gz MBAXYFNZMVQBBB-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)cc1Cl ZINC000035458791 172207403 /nfs/dbraw/zinc/20/74/03/172207403.db2.gz OOGCQVUHXVGOLN-CYBMUJFWSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)cc1Cl ZINC000035458794 172207385 /nfs/dbraw/zinc/20/73/85/172207385.db2.gz OOGCQVUHXVGOLN-ZDUSSCGKSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1ccc(C)s1 ZINC000035458831 172207364 /nfs/dbraw/zinc/20/73/64/172207364.db2.gz XMTZUDLTMIOMRJ-DGCLKSJQSA-N 1 0 253.455 4.779 10 0 CJAERO C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(C)s1 ZINC000035458834 172207272 /nfs/dbraw/zinc/20/72/72/172207272.db2.gz XMTZUDLTMIOMRJ-YPMHNXCESA-N 1 0 253.455 4.779 10 0 CJAERO C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(C)s1 ZINC000035458837 172207637 /nfs/dbraw/zinc/20/76/37/172207637.db2.gz XMTZUDLTMIOMRJ-WCQYABFASA-N 1 0 253.455 4.779 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccc(C)s1 ZINC000035458840 172207477 /nfs/dbraw/zinc/20/74/77/172207477.db2.gz XMTZUDLTMIOMRJ-AAEUAGOBSA-N 1 0 253.455 4.779 10 0 CJAERO C[NH2+][C@H](CCC1CCCCC1)c1ccc(C)s1 ZINC000035459083 172208253 /nfs/dbraw/zinc/20/82/53/172208253.db2.gz HXGKPDBUGGWQHV-CQSZACIVSA-N 1 0 251.439 4.678 10 0 CJAERO C[NH2+][C@@H](CCC1CCCCC1)c1ccc(C)s1 ZINC000035459087 172208409 /nfs/dbraw/zinc/20/84/09/172208409.db2.gz HXGKPDBUGGWQHV-AWEZNQCLSA-N 1 0 251.439 4.678 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)c(Cl)c1 ZINC000035459162 172208566 /nfs/dbraw/zinc/20/85/66/172208566.db2.gz MNXSZJAOWOWCID-CYBMUJFWSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)c(Cl)c1 ZINC000035459165 172208278 /nfs/dbraw/zinc/20/82/78/172208278.db2.gz MNXSZJAOWOWCID-ZDUSSCGKSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)cc(Cl)c1 ZINC000035459313 172208634 /nfs/dbraw/zinc/20/86/34/172208634.db2.gz AGSOOZNMGHHWBU-CYBMUJFWSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)cc(Cl)c1 ZINC000035459315 172208382 /nfs/dbraw/zinc/20/83/82/172208382.db2.gz AGSOOZNMGHHWBU-ZDUSSCGKSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc2ccccc2c1 ZINC000035459345 172208399 /nfs/dbraw/zinc/20/83/99/172208399.db2.gz ISJWPEYYCZMTMT-QGZVFWFLSA-N 1 0 267.397 4.519 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc2ccccc2c1 ZINC000035459347 172208574 /nfs/dbraw/zinc/20/85/74/172208574.db2.gz ISJWPEYYCZMTMT-KRWDZBQOSA-N 1 0 267.397 4.519 10 0 CJAERO CC[C@@H](c1ccccc1)[C@H]([NH2+]C)c1ccc(C)s1 ZINC000035459353 172208650 /nfs/dbraw/zinc/20/86/50/172208650.db2.gz OZZDZHWPJZBDJB-HOCLYGCPSA-N 1 0 259.418 4.511 10 0 CJAERO CC[C@H](c1ccccc1)[C@H]([NH2+]C)c1ccc(C)s1 ZINC000035459354 172208578 /nfs/dbraw/zinc/20/85/78/172208578.db2.gz OZZDZHWPJZBDJB-ZBFHGGJFSA-N 1 0 259.418 4.511 10 0 CJAERO CC[C@@H](c1ccccc1)[C@@H]([NH2+]C)c1ccc(C)s1 ZINC000035459356 172208524 /nfs/dbraw/zinc/20/85/24/172208524.db2.gz OZZDZHWPJZBDJB-GOEBONIOSA-N 1 0 259.418 4.511 10 0 CJAERO CC[C@H](c1ccccc1)[C@@H]([NH2+]C)c1ccc(C)s1 ZINC000035459358 172208557 /nfs/dbraw/zinc/20/85/57/172208557.db2.gz OZZDZHWPJZBDJB-GDBMZVCRSA-N 1 0 259.418 4.511 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1cccc2ccccc21 ZINC000035459360 172208584 /nfs/dbraw/zinc/20/85/84/172208584.db2.gz JNOAGJGKHPIKDA-QGZVFWFLSA-N 1 0 267.397 4.519 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1cccc2ccccc21 ZINC000035459362 172208669 /nfs/dbraw/zinc/20/86/69/172208669.db2.gz JNOAGJGKHPIKDA-KRWDZBQOSA-N 1 0 267.397 4.519 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1cccc(Cl)c1Cl ZINC000035459367 172208627 /nfs/dbraw/zinc/20/86/27/172208627.db2.gz ZFFLQXZQDCQCII-CYBMUJFWSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1cccc(Cl)c1Cl ZINC000035459369 172208370 /nfs/dbraw/zinc/20/83/70/172208370.db2.gz ZFFLQXZQDCQCII-ZDUSSCGKSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1c(Cl)cccc1Cl ZINC000035459374 172208147 /nfs/dbraw/zinc/20/81/47/172208147.db2.gz ZRXPMWVRZDBQCQ-ZDUSSCGKSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1c(Cl)cccc1Cl ZINC000035459376 172208430 /nfs/dbraw/zinc/20/84/30/172208430.db2.gz ZRXPMWVRZDBQCQ-CYBMUJFWSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)ccc1Cl ZINC000035459399 172208273 /nfs/dbraw/zinc/20/82/73/172208273.db2.gz ZQWAXDNPGVTVIE-CYBMUJFWSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)ccc1Cl ZINC000035459401 172208597 /nfs/dbraw/zinc/20/85/97/172208597.db2.gz ZQWAXDNPGVTVIE-ZDUSSCGKSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(CC(C)C)cc1 ZINC000035459432 172208444 /nfs/dbraw/zinc/20/84/44/172208444.db2.gz NJBKIAHTAGFTSB-QGZVFWFLSA-N 1 0 273.445 4.564 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(CC(C)C)cc1 ZINC000035459434 172208339 /nfs/dbraw/zinc/20/83/39/172208339.db2.gz NJBKIAHTAGFTSB-KRWDZBQOSA-N 1 0 273.445 4.564 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(CC)s1 ZINC000035460686 172209573 /nfs/dbraw/zinc/20/95/73/172209573.db2.gz KVSKAHOKAGZBJU-DOMZBBRYSA-N 1 0 253.455 4.787 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(CC)s1 ZINC000035460689 172208875 /nfs/dbraw/zinc/20/88/75/172208875.db2.gz KVSKAHOKAGZBJU-WFASDCNBSA-N 1 0 253.455 4.787 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(CC)s1 ZINC000035460692 172209087 /nfs/dbraw/zinc/20/90/87/172209087.db2.gz KVSKAHOKAGZBJU-IUODEOHRSA-N 1 0 253.455 4.787 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(CC)s1 ZINC000035460694 172209540 /nfs/dbraw/zinc/20/95/40/172209540.db2.gz KVSKAHOKAGZBJU-SWLSCSKDSA-N 1 0 253.455 4.787 10 0 CJAERO CCc1ccc([C@@H](CC2CCCCC2)[NH2+]C)s1 ZINC000035460727 172209057 /nfs/dbraw/zinc/20/90/57/172209057.db2.gz SOGPRURYTMPWGN-CQSZACIVSA-N 1 0 251.439 4.541 10 0 CJAERO CCc1ccc([C@H](CC2CCCCC2)[NH2+]C)s1 ZINC000035460729 172209587 /nfs/dbraw/zinc/20/95/87/172209587.db2.gz SOGPRURYTMPWGN-AWEZNQCLSA-N 1 0 251.439 4.541 10 0 CJAERO CCc1ccc([C@H]([NH2+]C)c2c(C)cc(C)cc2C)s1 ZINC000035460883 172209215 /nfs/dbraw/zinc/20/92/15/172209215.db2.gz JUGIHFCAZOLAIF-KRWDZBQOSA-N 1 0 273.445 4.545 10 0 CJAERO CCc1ccc([C@@H]([NH2+]C)c2c(C)cc(C)cc2C)s1 ZINC000035460886 172208844 /nfs/dbraw/zinc/20/88/44/172208844.db2.gz JUGIHFCAZOLAIF-QGZVFWFLSA-N 1 0 273.445 4.545 10 0 CJAERO CCc1ccc([C@@H](CCC2CCCC2)[NH2+]C)s1 ZINC000035460950 172209826 /nfs/dbraw/zinc/20/98/26/172209826.db2.gz OBFSEOIQEQYXOU-CQSZACIVSA-N 1 0 251.439 4.541 10 0 CJAERO CCc1ccc([C@H](CCC2CCCC2)[NH2+]C)s1 ZINC000035460953 172210105 /nfs/dbraw/zinc/21/01/05/172210105.db2.gz OBFSEOIQEQYXOU-AWEZNQCLSA-N 1 0 251.439 4.541 10 0 CJAERO C[NH2+][C@@H](CCC1CCCC1)c1ccc(OC)c(Cl)c1 ZINC000035462040 172210629 /nfs/dbraw/zinc/21/06/29/172210629.db2.gz DDGPOSOOLABQLZ-HNNXBMFYSA-N 1 0 281.827 4.580 10 0 CJAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(OC)c(Cl)c1 ZINC000035462041 172211014 /nfs/dbraw/zinc/21/10/14/172211014.db2.gz DDGPOSOOLABQLZ-OAHLLOKOSA-N 1 0 281.827 4.580 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462478 172210926 /nfs/dbraw/zinc/21/09/26/172210926.db2.gz PEBRCXWQOBROFW-DOMZBBRYSA-N 1 0 298.268 4.926 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462481 172211052 /nfs/dbraw/zinc/21/10/52/172211052.db2.gz PEBRCXWQOBROFW-WFASDCNBSA-N 1 0 298.268 4.926 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462483 172210763 /nfs/dbraw/zinc/21/07/63/172210763.db2.gz PEBRCXWQOBROFW-IUODEOHRSA-N 1 0 298.268 4.926 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462485 172210736 /nfs/dbraw/zinc/21/07/36/172210736.db2.gz PEBRCXWQOBROFW-SWLSCSKDSA-N 1 0 298.268 4.926 10 0 CJAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc(Br)cc1 ZINC000035462519 172211123 /nfs/dbraw/zinc/21/11/23/172211123.db2.gz RIOINXTUFYQZSC-HNNXBMFYSA-N 1 0 296.252 4.680 10 0 CJAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(Br)cc1 ZINC000035462520 172210771 /nfs/dbraw/zinc/21/07/71/172210771.db2.gz RIOINXTUFYQZSC-OAHLLOKOSA-N 1 0 296.252 4.680 10 0 CJAERO C[NH2+][C@@H](CCC1CCCC1)c1ccc(Br)cc1 ZINC000035462754 172211166 /nfs/dbraw/zinc/21/11/66/172211166.db2.gz TYRHKKLLTPMYCY-HNNXBMFYSA-N 1 0 296.252 4.680 10 0 CJAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(Br)cc1 ZINC000035462757 172210891 /nfs/dbraw/zinc/21/08/91/172210891.db2.gz TYRHKKLLTPMYCY-OAHLLOKOSA-N 1 0 296.252 4.680 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccc(F)cc1 ZINC000035463599 172211443 /nfs/dbraw/zinc/21/14/43/172211443.db2.gz AVQKBVJHXJBCAO-WFASDCNBSA-N 1 0 251.389 4.549 10 0 CJAERO C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)cc1 ZINC000035463601 172211297 /nfs/dbraw/zinc/21/12/97/172211297.db2.gz AVQKBVJHXJBCAO-DOMZBBRYSA-N 1 0 251.389 4.549 10 0 CJAERO C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(F)cc1 ZINC000035463603 172211662 /nfs/dbraw/zinc/21/16/62/172211662.db2.gz AVQKBVJHXJBCAO-SWLSCSKDSA-N 1 0 251.389 4.549 10 0 CJAERO C[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)cc1 ZINC000035463605 172211330 /nfs/dbraw/zinc/21/13/30/172211330.db2.gz AVQKBVJHXJBCAO-IUODEOHRSA-N 1 0 251.389 4.549 10 0 CJAERO C[NH2+][C@H](c1cc2c(s1)CCCC2)c1ccc(Cl)cc1 ZINC000035464013 172211398 /nfs/dbraw/zinc/21/13/98/172211398.db2.gz DWLAKCXDIJODNM-INIZCTEOSA-N 1 0 291.847 4.589 10 0 CJAERO C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1ccc(Cl)cc1 ZINC000035464015 172211542 /nfs/dbraw/zinc/21/15/42/172211542.db2.gz DWLAKCXDIJODNM-MRXNPFEDSA-N 1 0 291.847 4.589 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(Cl)cc1 ZINC000035464175 172212525 /nfs/dbraw/zinc/21/25/25/172212525.db2.gz DJGRYIZDDHGENJ-DOMZBBRYSA-N 1 0 253.817 4.817 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(Cl)cc1 ZINC000035464178 172212510 /nfs/dbraw/zinc/21/25/10/172212510.db2.gz DJGRYIZDDHGENJ-WFASDCNBSA-N 1 0 253.817 4.817 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(Cl)cc1 ZINC000035464181 172212459 /nfs/dbraw/zinc/21/24/59/172212459.db2.gz DJGRYIZDDHGENJ-IUODEOHRSA-N 1 0 253.817 4.817 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(Cl)cc1 ZINC000035464183 172212598 /nfs/dbraw/zinc/21/25/98/172212598.db2.gz DJGRYIZDDHGENJ-SWLSCSKDSA-N 1 0 253.817 4.817 10 0 CJAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc(Cl)cc1 ZINC000035464217 172212289 /nfs/dbraw/zinc/21/22/89/172212289.db2.gz WNPRIFSSRGENKH-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(Cl)cc1 ZINC000035464219 172212512 /nfs/dbraw/zinc/21/25/12/172212512.db2.gz WNPRIFSSRGENKH-OAHLLOKOSA-N 1 0 251.801 4.571 10 0 CJAERO C[NH2+][C@@H](CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000035464424 172212096 /nfs/dbraw/zinc/21/20/96/172212096.db2.gz WSOLRZQDADBKSU-INIZCTEOSA-N 1 0 265.828 4.961 10 0 CJAERO C[NH2+][C@H](CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000035464427 172212602 /nfs/dbraw/zinc/21/26/02/172212602.db2.gz WSOLRZQDADBKSU-MRXNPFEDSA-N 1 0 265.828 4.961 10 0 CJAERO C[NH2+][C@@H](CCC1CCCC1)c1ccc(Cl)cc1 ZINC000035464465 172212626 /nfs/dbraw/zinc/21/26/26/172212626.db2.gz ZWRGLZSYCYNKFD-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(Cl)cc1 ZINC000035464467 172212283 /nfs/dbraw/zinc/21/22/83/172212283.db2.gz ZWRGLZSYCYNKFD-OAHLLOKOSA-N 1 0 251.801 4.571 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Cl)cc1Cl ZINC000035466099 172214012 /nfs/dbraw/zinc/21/40/12/172214012.db2.gz VRTGHCBQEXXGOU-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(Cl)cc1Cl ZINC000035466101 172213818 /nfs/dbraw/zinc/21/38/18/172213818.db2.gz VRTGHCBQEXXGOU-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035466273 172213503 /nfs/dbraw/zinc/21/35/03/172213503.db2.gz SXZZZGJBTBVVSA-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035466274 172213648 /nfs/dbraw/zinc/21/36/48/172213648.db2.gz SXZZZGJBTBVVSA-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035466321 172213873 /nfs/dbraw/zinc/21/38/73/172213873.db2.gz TXBFXUBGGNEZHS-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035466322 172214093 /nfs/dbraw/zinc/21/40/93/172214093.db2.gz TXBFXUBGGNEZHS-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(Cl)c1Cl ZINC000035466350 172214069 /nfs/dbraw/zinc/21/40/69/172214069.db2.gz RLYWZBCWTBFHSC-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1)c1cccc(Cl)c1Cl ZINC000035466351 172214018 /nfs/dbraw/zinc/21/40/18/172214018.db2.gz RLYWZBCWTBFHSC-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1)c1c(Cl)cccc1Cl ZINC000035466354 172213879 /nfs/dbraw/zinc/21/38/79/172213879.db2.gz WICWIJWYBJWJAT-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1)c1c(Cl)cccc1Cl ZINC000035466355 172213487 /nfs/dbraw/zinc/21/34/87/172213487.db2.gz WICWIJWYBJWJAT-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cc(Cl)ccc1Cl ZINC000035466364 172213792 /nfs/dbraw/zinc/21/37/92/172213792.db2.gz RVGVIFIPWKUCBE-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1)c1cc(Cl)ccc1Cl ZINC000035466365 172213472 /nfs/dbraw/zinc/21/34/72/172213472.db2.gz RVGVIFIPWKUCBE-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000035466955 172215436 /nfs/dbraw/zinc/21/54/36/172215436.db2.gz NUFUWXXWJSXXQB-QGZVFWFLSA-N 1 0 253.389 4.660 10 0 CJAERO C[NH2+][C@@H](c1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000035466956 172215054 /nfs/dbraw/zinc/21/50/54/172215054.db2.gz NUFUWXXWJSXXQB-KRWDZBQOSA-N 1 0 253.389 4.660 10 0 CJAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccc(-c2ccccc2)cc1 ZINC000035466969 172214980 /nfs/dbraw/zinc/21/49/80/172214980.db2.gz WCXCAWFPXDACCZ-KDOFPFPSSA-N 1 0 253.389 4.660 10 0 CJAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(-c2ccccc2)cc1 ZINC000035466970 172215536 /nfs/dbraw/zinc/21/55/36/172215536.db2.gz WCXCAWFPXDACCZ-KSSFIOAISA-N 1 0 253.389 4.660 10 0 CJAERO CC[C@@H](C)[C@@H]([NH2+]C)c1ccc(-c2ccccc2)cc1 ZINC000035466971 172215017 /nfs/dbraw/zinc/21/50/17/172215017.db2.gz WCXCAWFPXDACCZ-RDTXWAMCSA-N 1 0 253.389 4.660 10 0 CJAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(-c2ccccc2)cc1 ZINC000035466972 172215213 /nfs/dbraw/zinc/21/52/13/172215213.db2.gz WCXCAWFPXDACCZ-KBXCAEBGSA-N 1 0 253.389 4.660 10 0 CJAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000035466989 172215471 /nfs/dbraw/zinc/21/54/71/172215471.db2.gz LSDXMPZGEFDSAX-HNNXBMFYSA-N 1 0 279.305 4.567 10 0 CJAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000035466990 172215152 /nfs/dbraw/zinc/21/51/52/172215152.db2.gz LSDXMPZGEFDSAX-OAHLLOKOSA-N 1 0 279.305 4.567 10 0 CJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1c(C)c(C)c(C)c(C)c1C ZINC000035467663 172216098 /nfs/dbraw/zinc/21/60/98/172216098.db2.gz KNMFQJDULUIXOC-ZMZPIMSZSA-N 1 0 261.453 4.925 10 0 CJAERO CCC[C@H](C)[C@H]([NH2+]C)c1c(C)c(C)c(C)c(C)c1C ZINC000035467664 172215839 /nfs/dbraw/zinc/21/58/39/172215839.db2.gz KNMFQJDULUIXOC-VOJFVSQTSA-N 1 0 261.453 4.925 10 0 CJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1c(C)c(C)c(C)c(C)c1C ZINC000035467665 172215920 /nfs/dbraw/zinc/21/59/20/172215920.db2.gz KNMFQJDULUIXOC-ADLMAVQZSA-N 1 0 261.453 4.925 10 0 CJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1c(C)c(C)c(C)c(C)c1C ZINC000035467666 172216314 /nfs/dbraw/zinc/21/63/14/172216314.db2.gz KNMFQJDULUIXOC-BBATYDOGSA-N 1 0 261.453 4.925 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1ccc(Cl)cc1Cl ZINC000035468069 172216802 /nfs/dbraw/zinc/21/68/02/172216802.db2.gz DNVFNWGJITWKSH-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1C)c1ccc(Cl)cc1Cl ZINC000035468071 172216639 /nfs/dbraw/zinc/21/66/39/172216639.db2.gz DNVFNWGJITWKSH-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1cccc(Cl)c1Cl ZINC000035468296 172217366 /nfs/dbraw/zinc/21/73/66/172217366.db2.gz SJJAQPWFIAJJFE-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1C)c1cccc(Cl)c1Cl ZINC000035468297 172217796 /nfs/dbraw/zinc/21/77/96/172217796.db2.gz SJJAQPWFIAJJFE-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1c(Cl)cccc1Cl ZINC000035468300 172217555 /nfs/dbraw/zinc/21/75/55/172217555.db2.gz MNBDLQFZUOHICD-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1C)c1c(Cl)cccc1Cl ZINC000035468301 172217271 /nfs/dbraw/zinc/21/72/71/172217271.db2.gz MNBDLQFZUOHICD-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1cc(Cl)ccc1Cl ZINC000035468310 172217355 /nfs/dbraw/zinc/21/73/55/172217355.db2.gz BSNZIOQKQIZYLG-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(C)cc1C)c1cc(Cl)ccc1Cl ZINC000035468311 172217522 /nfs/dbraw/zinc/21/75/22/172217522.db2.gz BSNZIOQKQIZYLG-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO CC[C@@H](C)c1ccc([C@H]([NH2+]C)c2ccsc2)cc1 ZINC000035468936 172218660 /nfs/dbraw/zinc/21/86/60/172218660.db2.gz MGYZUWFPBAWKIA-WBMJQRKESA-N 1 0 259.418 4.570 10 0 CJAERO CC[C@H](C)c1ccc([C@H]([NH2+]C)c2ccsc2)cc1 ZINC000035468937 172218900 /nfs/dbraw/zinc/21/89/00/172218900.db2.gz MGYZUWFPBAWKIA-LRDDRELGSA-N 1 0 259.418 4.570 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H]([NH2+]C)c2ccsc2)cc1 ZINC000035468938 172218371 /nfs/dbraw/zinc/21/83/71/172218371.db2.gz MGYZUWFPBAWKIA-MLGOLLRUSA-N 1 0 259.418 4.570 10 0 CJAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)c2ccsc2)cc1 ZINC000035468939 172218877 /nfs/dbraw/zinc/21/88/77/172218877.db2.gz MGYZUWFPBAWKIA-BLLLJJGKSA-N 1 0 259.418 4.570 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1cc(C)ccc1C ZINC000035489891 172225142 /nfs/dbraw/zinc/22/51/42/172225142.db2.gz BBBAJSQIZRUMBW-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1cc(C)ccc1C ZINC000035489894 172224903 /nfs/dbraw/zinc/22/49/03/172224903.db2.gz BBBAJSQIZRUMBW-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1sccc1C)c1c(C)c(C)cc(C)c1C ZINC000035490881 172225491 /nfs/dbraw/zinc/22/54/91/172225491.db2.gz QROKDKWYDXIPOH-MRXNPFEDSA-N 1 0 273.445 4.599 10 0 CJAERO C[NH2+][C@H](c1sccc1C)c1c(C)c(C)cc(C)c1C ZINC000035490885 172225255 /nfs/dbraw/zinc/22/52/55/172225255.db2.gz QROKDKWYDXIPOH-INIZCTEOSA-N 1 0 273.445 4.599 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1c(C)c(C)cc(C)c1C ZINC000035490889 172225544 /nfs/dbraw/zinc/22/55/44/172225544.db2.gz DQBPRTXVHLFCBO-KRWDZBQOSA-N 1 0 273.445 4.599 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1c(C)c(C)cc(C)c1C ZINC000035490892 172225397 /nfs/dbraw/zinc/22/53/97/172225397.db2.gz DQBPRTXVHLFCBO-QGZVFWFLSA-N 1 0 273.445 4.599 10 0 CJAERO C[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C1CCCCC1 ZINC000035491276 172225900 /nfs/dbraw/zinc/22/59/00/172225900.db2.gz VTDFUTFNVAYMEC-GOSISDBHSA-N 1 0 259.437 4.761 10 0 CJAERO C[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C1CCCCC1 ZINC000035491280 172225351 /nfs/dbraw/zinc/22/53/51/172225351.db2.gz VTDFUTFNVAYMEC-SFHVURJKSA-N 1 0 259.437 4.761 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccc(F)cc1F ZINC000035491653 172225837 /nfs/dbraw/zinc/22/58/37/172225837.db2.gz ODTNNXJJMBQIHB-NHYWBVRUSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)cc1F ZINC000035491655 172225710 /nfs/dbraw/zinc/22/57/10/172225710.db2.gz ODTNNXJJMBQIHB-ABAIWWIYSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(F)cc1F ZINC000035491658 172225450 /nfs/dbraw/zinc/22/54/50/172225450.db2.gz ODTNNXJJMBQIHB-XHDPSFHLSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)cc1F ZINC000035491660 172225603 /nfs/dbraw/zinc/22/56/03/172225603.db2.gz ODTNNXJJMBQIHB-IAQYHMDHSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@H](CCC1CCCC1)c1c(C)cc(C)cc1C ZINC000035492567 172226713 /nfs/dbraw/zinc/22/67/13/172226713.db2.gz BJHBBJKKMIKDBP-QGZVFWFLSA-N 1 0 259.437 4.843 10 0 CJAERO C[NH2+][C@@H](CCC1CCCC1)c1c(C)cc(C)cc1C ZINC000035492570 172226661 /nfs/dbraw/zinc/22/66/61/172226661.db2.gz BJHBBJKKMIKDBP-KRWDZBQOSA-N 1 0 259.437 4.843 10 0 CJAERO C[NH2+][C@@H](c1sccc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493365 172227174 /nfs/dbraw/zinc/22/71/74/172227174.db2.gz SSJZSALYSVVWCM-OAHLLOKOSA-N 1 0 273.445 4.663 10 0 CJAERO C[NH2+][C@H](c1sccc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493368 172226961 /nfs/dbraw/zinc/22/69/61/172226961.db2.gz SSJZSALYSVVWCM-HNNXBMFYSA-N 1 0 273.445 4.663 10 0 CJAERO C[NH2+][C@@H](c1ccc(C(C)C)cc1C(C)C)C1CCC1 ZINC000035494061 172227995 /nfs/dbraw/zinc/22/79/95/172227995.db2.gz ALMJQDNYYHRVLA-GOSISDBHSA-N 1 0 259.437 4.994 10 0 CJAERO C[NH2+][C@H](c1ccc(C(C)C)cc1C(C)C)C1CCC1 ZINC000035494065 172227947 /nfs/dbraw/zinc/22/79/47/172227947.db2.gz ALMJQDNYYHRVLA-SFHVURJKSA-N 1 0 259.437 4.994 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035494291 172228173 /nfs/dbraw/zinc/22/81/73/172228173.db2.gz KBNSYLPETVKAEZ-NHYWBVRUSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035494295 172228215 /nfs/dbraw/zinc/22/82/15/172228215.db2.gz KBNSYLPETVKAEZ-ABAIWWIYSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035494299 172228217 /nfs/dbraw/zinc/22/82/17/172228217.db2.gz KBNSYLPETVKAEZ-XHDPSFHLSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035494303 172227529 /nfs/dbraw/zinc/22/75/29/172227529.db2.gz KBNSYLPETVKAEZ-IAQYHMDHSA-N 1 0 269.379 4.688 10 0 CJAERO C[NH2+][C@@H](CCC1CCCCC1)c1ccc(F)c(F)c1 ZINC000035494544 172227945 /nfs/dbraw/zinc/22/79/45/172227945.db2.gz AXVIFFMQVZLPJG-INIZCTEOSA-N 1 0 267.363 4.586 10 0 CJAERO C[NH2+][C@H](CCC1CCCCC1)c1ccc(F)c(F)c1 ZINC000035494546 172227625 /nfs/dbraw/zinc/22/76/25/172227625.db2.gz AXVIFFMQVZLPJG-MRXNPFEDSA-N 1 0 267.363 4.586 10 0 CJAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)cc2Cl)cc1 ZINC000035494948 172228181 /nfs/dbraw/zinc/22/81/81/172228181.db2.gz FJGGIVDXGDJYQS-INIZCTEOSA-N 1 0 294.225 4.865 10 0 CJAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)cc2Cl)cc1 ZINC000035494951 172227778 /nfs/dbraw/zinc/22/77/78/172227778.db2.gz FJGGIVDXGDJYQS-MRXNPFEDSA-N 1 0 294.225 4.865 10 0 CJAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000035495224 172229035 /nfs/dbraw/zinc/22/90/35/172229035.db2.gz WFHUUIQSCBFUFC-INIZCTEOSA-N 1 0 294.225 4.865 10 0 CJAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000035495226 172228667 /nfs/dbraw/zinc/22/86/67/172228667.db2.gz WFHUUIQSCBFUFC-MRXNPFEDSA-N 1 0 294.225 4.865 10 0 CJAERO CCCc1ccc([C@@H](CC2CCCCC2)[NH2+]C)cc1 ZINC000035496133 172229725 /nfs/dbraw/zinc/22/97/25/172229725.db2.gz BGVNUCAXHJNRLS-GOSISDBHSA-N 1 0 259.437 4.870 10 0 CJAERO CCCc1ccc([C@H](CC2CCCCC2)[NH2+]C)cc1 ZINC000035496134 172229650 /nfs/dbraw/zinc/22/96/50/172229650.db2.gz BGVNUCAXHJNRLS-SFHVURJKSA-N 1 0 259.437 4.870 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(C)sc1C ZINC000035497449 172230314 /nfs/dbraw/zinc/23/03/14/172230314.db2.gz KVVLWNCMVCYCIY-OAHLLOKOSA-N 1 0 279.836 4.522 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(C)sc1C ZINC000035497451 172230515 /nfs/dbraw/zinc/23/05/15/172230515.db2.gz KVVLWNCMVCYCIY-HNNXBMFYSA-N 1 0 279.836 4.522 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1cc(C)sc1C ZINC000035497510 172230342 /nfs/dbraw/zinc/23/03/42/172230342.db2.gz WMHKHLAMYHCYIH-HIFRSBDPSA-N 1 0 253.455 4.842 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1cc(C)sc1C ZINC000035497511 172230685 /nfs/dbraw/zinc/23/06/85/172230685.db2.gz WMHKHLAMYHCYIH-ZFWWWQNUSA-N 1 0 253.455 4.842 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1cc(C)sc1C ZINC000035497513 172230581 /nfs/dbraw/zinc/23/05/81/172230581.db2.gz WMHKHLAMYHCYIH-UKRRQHHQSA-N 1 0 253.455 4.842 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1cc(C)sc1C ZINC000035497514 172230807 /nfs/dbraw/zinc/23/08/07/172230807.db2.gz WMHKHLAMYHCYIH-DZGCQCFKSA-N 1 0 253.455 4.842 10 0 CJAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cc(C)sc1C ZINC000035497534 172231065 /nfs/dbraw/zinc/23/10/65/172231065.db2.gz NTCUKWRYFMRAAY-OAHLLOKOSA-N 1 0 297.826 4.661 10 0 CJAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1cc(C)sc1C ZINC000035497536 172231488 /nfs/dbraw/zinc/23/14/88/172231488.db2.gz NTCUKWRYFMRAAY-HNNXBMFYSA-N 1 0 297.826 4.661 10 0 CJAERO C[NH2+][C@H](CC1CCCCC1)c1cc(C)sc1C ZINC000035497538 172231594 /nfs/dbraw/zinc/23/15/94/172231594.db2.gz FYKSEKITTVWECD-OAHLLOKOSA-N 1 0 251.439 4.596 10 0 CJAERO C[NH2+][C@@H](CC1CCCCC1)c1cc(C)sc1C ZINC000035497540 172231165 /nfs/dbraw/zinc/23/11/65/172231165.db2.gz FYKSEKITTVWECD-HNNXBMFYSA-N 1 0 251.439 4.596 10 0 CJAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cc(C)sc1C ZINC000035497621 172231419 /nfs/dbraw/zinc/23/14/19/172231419.db2.gz MJQLFQUPBUQADU-OAHLLOKOSA-N 1 0 279.836 4.522 10 0 CJAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cc(C)sc1C ZINC000035497622 172231047 /nfs/dbraw/zinc/23/10/47/172231047.db2.gz MJQLFQUPBUQADU-HNNXBMFYSA-N 1 0 279.836 4.522 10 0 CJAERO C[NH2+][C@H](c1cc(C)sc1C)c1c(C)cc(C)cc1C ZINC000035497647 172231600 /nfs/dbraw/zinc/23/16/00/172231600.db2.gz KECRADZLFIUWAP-QGZVFWFLSA-N 1 0 273.445 4.599 10 0 CJAERO C[NH2+][C@@H](c1cc(C)sc1C)c1c(C)cc(C)cc1C ZINC000035497649 172231569 /nfs/dbraw/zinc/23/15/69/172231569.db2.gz KECRADZLFIUWAP-KRWDZBQOSA-N 1 0 273.445 4.599 10 0 CJAERO C[NH2+][C@H](CCC1CCCCC1)c1cc(C)sc1C ZINC000035497667 172231578 /nfs/dbraw/zinc/23/15/78/172231578.db2.gz MDVLNIBXOHOVDQ-MRXNPFEDSA-N 1 0 265.466 4.986 10 0 CJAERO C[NH2+][C@@H](CCC1CCCCC1)c1cc(C)sc1C ZINC000035497669 172231014 /nfs/dbraw/zinc/23/10/14/172231014.db2.gz MDVLNIBXOHOVDQ-INIZCTEOSA-N 1 0 265.466 4.986 10 0 CJAERO C[NH2+][C@H](CCC1CCCC1)c1cc(C)sc1C ZINC000035497692 172231236 /nfs/dbraw/zinc/23/12/36/172231236.db2.gz AMJXODCETCBLQJ-OAHLLOKOSA-N 1 0 251.439 4.596 10 0 CJAERO C[NH2+][C@@H](CCC1CCCC1)c1cc(C)sc1C ZINC000035497693 172231103 /nfs/dbraw/zinc/23/11/03/172231103.db2.gz AMJXODCETCBLQJ-HNNXBMFYSA-N 1 0 251.439 4.596 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035497919 172231044 /nfs/dbraw/zinc/23/10/44/172231044.db2.gz VGGZJHWHGMJZKG-AWEZNQCLSA-N 1 0 297.876 4.651 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035497921 172231296 /nfs/dbraw/zinc/23/12/96/172231296.db2.gz VGGZJHWHGMJZKG-CQSZACIVSA-N 1 0 297.876 4.651 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000035497989 172231421 /nfs/dbraw/zinc/23/14/21/172231421.db2.gz UFYZYMSRKRGIBL-NSHDSACASA-N 1 0 286.227 4.558 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000035497991 172231400 /nfs/dbraw/zinc/23/14/00/172231400.db2.gz UFYZYMSRKRGIBL-LLVKDONJSA-N 1 0 286.227 4.558 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498055 172231075 /nfs/dbraw/zinc/23/10/75/172231075.db2.gz LIAQOGCRDXOMBM-MFKMUULPSA-N 1 0 259.846 4.878 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498057 172231110 /nfs/dbraw/zinc/23/11/10/172231110.db2.gz LIAQOGCRDXOMBM-GWCFXTLKSA-N 1 0 259.846 4.878 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498059 172231665 /nfs/dbraw/zinc/23/16/65/172231665.db2.gz LIAQOGCRDXOMBM-ZWNOBZJWSA-N 1 0 259.846 4.878 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498061 172231446 /nfs/dbraw/zinc/23/14/46/172231446.db2.gz LIAQOGCRDXOMBM-GXFFZTMASA-N 1 0 259.846 4.878 10 0 CJAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc(Cl)s1 ZINC000035498091 172231387 /nfs/dbraw/zinc/23/13/87/172231387.db2.gz SSZIGNVDVVHLPQ-NSHDSACASA-N 1 0 257.830 4.632 10 0 CJAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(Cl)s1 ZINC000035498093 172231408 /nfs/dbraw/zinc/23/14/08/172231408.db2.gz SSZIGNVDVVHLPQ-LLVKDONJSA-N 1 0 257.830 4.632 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C(C)C)cc1 ZINC000035498137 172231677 /nfs/dbraw/zinc/23/16/77/172231677.db2.gz ODKPUJLLWPYBOH-HNNXBMFYSA-N 1 0 279.836 4.834 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C(C)C)cc1 ZINC000035498139 172231405 /nfs/dbraw/zinc/23/14/05/172231405.db2.gz ODKPUJLLWPYBOH-OAHLLOKOSA-N 1 0 279.836 4.834 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(Cl)ccc1F ZINC000035498149 172231587 /nfs/dbraw/zinc/23/15/87/172231587.db2.gz FXZHLVUSOROUKM-GFCCVEGCSA-N 1 0 290.190 4.503 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(Cl)ccc1F ZINC000035498153 172231518 /nfs/dbraw/zinc/23/15/18/172231518.db2.gz FXZHLVUSOROUKM-LBPRGKRZSA-N 1 0 290.190 4.503 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Cl)cc1F ZINC000035498159 172231639 /nfs/dbraw/zinc/23/16/39/172231639.db2.gz RFIUDYKOJQHWRI-LBPRGKRZSA-N 1 0 290.190 4.503 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Cl)cc1F ZINC000035498161 172231350 /nfs/dbraw/zinc/23/13/50/172231350.db2.gz RFIUDYKOJQHWRI-GFCCVEGCSA-N 1 0 290.190 4.503 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)C(C)(C)c1ccccc1 ZINC000035498188 172231306 /nfs/dbraw/zinc/23/13/06/172231306.db2.gz VUECEGSXZNPJLN-CQSZACIVSA-N 1 0 279.836 4.640 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)C(C)(C)c1ccccc1 ZINC000035498192 172231057 /nfs/dbraw/zinc/23/10/57/172231057.db2.gz VUECEGSXZNPJLN-AWEZNQCLSA-N 1 0 279.836 4.640 10 0 CJAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(Cl)s1 ZINC000035498194 172231500 /nfs/dbraw/zinc/23/15/00/172231500.db2.gz LQDYSSNVRFCHAU-NSHDSACASA-N 1 0 286.227 4.558 10 0 CJAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(Cl)s1 ZINC000035498197 172231364 /nfs/dbraw/zinc/23/13/64/172231364.db2.gz LQDYSSNVRFCHAU-LLVKDONJSA-N 1 0 286.227 4.558 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1c(C)cc(C)cc1C ZINC000035498243 172231389 /nfs/dbraw/zinc/23/13/89/172231389.db2.gz HMZMWBDKNCPJCN-OAHLLOKOSA-N 1 0 279.836 4.636 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1c(C)cc(C)cc1C ZINC000035498247 172231557 /nfs/dbraw/zinc/23/15/57/172231557.db2.gz HMZMWBDKNCPJCN-HNNXBMFYSA-N 1 0 279.836 4.636 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1Cl ZINC000035498297 172232463 /nfs/dbraw/zinc/23/24/63/172232463.db2.gz CCTBQUUOIPDTSI-LBPRGKRZSA-N 1 0 290.190 4.503 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1Cl ZINC000035498298 172232137 /nfs/dbraw/zinc/23/21/37/172232137.db2.gz CCTBQUUOIPDTSI-GFCCVEGCSA-N 1 0 290.190 4.503 10 0 CJAERO C[NH2+][C@@H](CCC1CCCC1)c1ccc(Cl)s1 ZINC000035498307 172232236 /nfs/dbraw/zinc/23/22/36/172232236.db2.gz ZUMROVQBVGQFTL-NSHDSACASA-N 1 0 257.830 4.632 10 0 CJAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(Cl)s1 ZINC000035498309 172232132 /nfs/dbraw/zinc/23/21/32/172232132.db2.gz ZUMROVQBVGQFTL-LLVKDONJSA-N 1 0 257.830 4.632 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc2ccccc2c1 ZINC000035498488 172231864 /nfs/dbraw/zinc/23/18/64/172231864.db2.gz FMNJOPABYJPADS-INIZCTEOSA-N 1 0 287.815 4.864 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc2ccccc2c1 ZINC000035498491 172232310 /nfs/dbraw/zinc/23/23/10/172232310.db2.gz FMNJOPABYJPADS-MRXNPFEDSA-N 1 0 287.815 4.864 10 0 CJAERO CC[C@@H](c1ccccc1)[C@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498497 172232099 /nfs/dbraw/zinc/23/20/99/172232099.db2.gz VSRZDZOUCDXIDT-WFASDCNBSA-N 1 0 279.836 4.856 10 0 CJAERO CC[C@H](c1ccccc1)[C@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498499 172232220 /nfs/dbraw/zinc/23/22/20/172232220.db2.gz VSRZDZOUCDXIDT-DOMZBBRYSA-N 1 0 279.836 4.856 10 0 CJAERO CC[C@@H](c1ccccc1)[C@@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498501 172232265 /nfs/dbraw/zinc/23/22/65/172232265.db2.gz VSRZDZOUCDXIDT-SWLSCSKDSA-N 1 0 279.836 4.856 10 0 CJAERO CC[C@H](c1ccccc1)[C@@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498503 172232263 /nfs/dbraw/zinc/23/22/63/172232263.db2.gz VSRZDZOUCDXIDT-IUODEOHRSA-N 1 0 279.836 4.856 10 0 CJAERO C[NH2+][C@H](c1csc2ccccc12)c1sccc1C ZINC000035499446 172233378 /nfs/dbraw/zinc/23/33/78/172233378.db2.gz WBJWBYJXXSMDHS-CQSZACIVSA-N 1 0 273.426 4.580 10 0 CJAERO C[NH2+][C@@H](c1csc2ccccc12)c1sccc1C ZINC000035499448 172233029 /nfs/dbraw/zinc/23/30/29/172233029.db2.gz WBJWBYJXXSMDHS-AWEZNQCLSA-N 1 0 273.426 4.580 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1csc2ccccc12 ZINC000035499450 172233099 /nfs/dbraw/zinc/23/30/99/172233099.db2.gz LSVVFUCMOMMLTQ-OAHLLOKOSA-N 1 0 273.426 4.580 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1csc2ccccc12 ZINC000035499452 172233058 /nfs/dbraw/zinc/23/30/58/172233058.db2.gz LSVVFUCMOMMLTQ-HNNXBMFYSA-N 1 0 273.426 4.580 10 0 CJAERO C[NH2+][C@@H](c1csc2ccccc12)C1CCCCC1 ZINC000035499720 172232906 /nfs/dbraw/zinc/23/29/06/172232906.db2.gz LZZYAZDRVZKRTG-MRXNPFEDSA-N 1 0 259.418 4.742 10 0 CJAERO C[NH2+][C@H](c1csc2ccccc12)C1CCCCC1 ZINC000035499722 172233366 /nfs/dbraw/zinc/23/33/66/172233366.db2.gz LZZYAZDRVZKRTG-INIZCTEOSA-N 1 0 259.418 4.742 10 0 CJAERO C[NH2+][C@@H](c1sccc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501438 172235714 /nfs/dbraw/zinc/23/57/14/172235714.db2.gz OVSZYOQSIVAWRX-GFCCVEGCSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1sccc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501439 172235879 /nfs/dbraw/zinc/23/58/79/172235879.db2.gz OVSZYOQSIVAWRX-LBPRGKRZSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501444 172235898 /nfs/dbraw/zinc/23/58/98/172235898.db2.gz GWPBZNWLNIMCHB-CQSZACIVSA-N 1 0 284.186 4.512 10 0 CJAERO C[NH2+][C@H](c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501445 172235831 /nfs/dbraw/zinc/23/58/31/172235831.db2.gz GWPBZNWLNIMCHB-AWEZNQCLSA-N 1 0 284.186 4.512 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035501462 172235930 /nfs/dbraw/zinc/23/59/30/172235930.db2.gz DTZOGKHSIOMIFR-INIZCTEOSA-N 1 0 294.225 4.805 10 0 CJAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035501463 172235558 /nfs/dbraw/zinc/23/55/58/172235558.db2.gz DTZOGKHSIOMIFR-MRXNPFEDSA-N 1 0 294.225 4.805 10 0 CJAERO CCCCC[C@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501494 172235688 /nfs/dbraw/zinc/23/56/88/172235688.db2.gz JVBJQWZKTRSDPY-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCCCC[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501495 172235440 /nfs/dbraw/zinc/23/54/40/172235440.db2.gz JVBJQWZKTRSDPY-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501506 172235592 /nfs/dbraw/zinc/23/55/92/172235592.db2.gz SBYWKNDRWIFINM-RNCFNFMXSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501507 172235600 /nfs/dbraw/zinc/23/56/00/172235600.db2.gz SBYWKNDRWIFINM-ZANVPECISA-N 1 0 260.208 4.690 10 0 CJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501508 172235993 /nfs/dbraw/zinc/23/59/93/172235993.db2.gz SBYWKNDRWIFINM-NOZJJQNGSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501509 172235625 /nfs/dbraw/zinc/23/56/25/172235625.db2.gz SBYWKNDRWIFINM-TVQRCGJNSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](CCC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000035501510 172235711 /nfs/dbraw/zinc/23/57/11/172235711.db2.gz QWLPHJMVOMMKGN-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@H](CCC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000035501511 172235812 /nfs/dbraw/zinc/23/58/12/172235812.db2.gz QWLPHJMVOMMKGN-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501538 172235959 /nfs/dbraw/zinc/23/59/59/172235959.db2.gz RNJFWWNWEXHITG-INIZCTEOSA-N 1 0 294.225 4.805 10 0 CJAERO C[NH2+][C@H](Cc1ccccc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501539 172236061 /nfs/dbraw/zinc/23/60/61/172236061.db2.gz RNJFWWNWEXHITG-MRXNPFEDSA-N 1 0 294.225 4.805 10 0 CJAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501544 172235881 /nfs/dbraw/zinc/23/58/81/172235881.db2.gz ZMCFRTOZFGPAGD-HNNXBMFYSA-N 1 0 298.188 4.636 10 0 CJAERO C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501545 172236055 /nfs/dbraw/zinc/23/60/55/172236055.db2.gz ZMCFRTOZFGPAGD-OAHLLOKOSA-N 1 0 298.188 4.636 10 0 CJAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000035501568 172235460 /nfs/dbraw/zinc/23/54/60/172235460.db2.gz XMOFRQASZUBFBR-LBPRGKRZSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000035501569 172235568 /nfs/dbraw/zinc/23/55/68/172235568.db2.gz XMOFRQASZUBFBR-GFCCVEGCSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000035501580 172235925 /nfs/dbraw/zinc/23/59/25/172235925.db2.gz BEXZQSVGNTZAMZ-CQSZACIVSA-N 1 0 272.219 4.834 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000035501581 172235960 /nfs/dbraw/zinc/23/59/60/172235960.db2.gz BEXZQSVGNTZAMZ-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO C[NH2+][C@@H](c1cccc(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501607 172235670 /nfs/dbraw/zinc/23/56/70/172235670.db2.gz MCYZPCGWDBBNHE-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1cccc(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501608 172235761 /nfs/dbraw/zinc/23/57/61/172235761.db2.gz MCYZPCGWDBBNHE-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1cccc(C)c1C ZINC000035501609 172235467 /nfs/dbraw/zinc/23/54/67/172235467.db2.gz IXXMAMBJLRENJE-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1cccc(C)c1C ZINC000035501610 172235835 /nfs/dbraw/zinc/23/58/35/172235835.db2.gz IXXMAMBJLRENJE-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1C ZINC000035501627 172235808 /nfs/dbraw/zinc/23/58/08/172235808.db2.gz VQQZLUDRXCDZII-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1C ZINC000035501628 172235862 /nfs/dbraw/zinc/23/58/62/172235862.db2.gz VQQZLUDRXCDZII-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO CCC(CC)[C@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501651 172236493 /nfs/dbraw/zinc/23/64/93/172236493.db2.gz POPXSVLGFGAQEJ-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CCC(CC)[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000035501652 172236768 /nfs/dbraw/zinc/23/67/68/172236768.db2.gz POPXSVLGFGAQEJ-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](c1sccc1C)c1cc(Cl)ccc1Cl ZINC000035501803 172236616 /nfs/dbraw/zinc/23/66/16/172236616.db2.gz YKJLAZFVDRGLNW-GFCCVEGCSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1sccc1C)c1cc(Cl)ccc1Cl ZINC000035501804 172236862 /nfs/dbraw/zinc/23/68/62/172236862.db2.gz YKJLAZFVDRGLNW-LBPRGKRZSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1cc(C)oc1C)c1cc(Cl)ccc1Cl ZINC000035501809 172236666 /nfs/dbraw/zinc/23/66/66/172236666.db2.gz ZYZAJTBZSBKIDR-AWEZNQCLSA-N 1 0 284.186 4.512 10 0 CJAERO C[NH2+][C@H](c1cc(C)oc1C)c1cc(Cl)ccc1Cl ZINC000035501810 172236595 /nfs/dbraw/zinc/23/65/95/172236595.db2.gz ZYZAJTBZSBKIDR-CQSZACIVSA-N 1 0 284.186 4.512 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1cc(Cl)ccc1Cl ZINC000035501827 172236852 /nfs/dbraw/zinc/23/68/52/172236852.db2.gz JOAAIFFTLQWAMJ-INIZCTEOSA-N 1 0 294.225 4.805 10 0 CJAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cc(Cl)ccc1Cl ZINC000035501828 172236482 /nfs/dbraw/zinc/23/64/82/172236482.db2.gz JOAAIFFTLQWAMJ-MRXNPFEDSA-N 1 0 294.225 4.805 10 0 CJAERO CCCCC[C@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035501861 172236208 /nfs/dbraw/zinc/23/62/08/172236208.db2.gz XRFVBLJPYAITDN-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCCCC[C@@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035501862 172236872 /nfs/dbraw/zinc/23/68/72/172236872.db2.gz XRFVBLJPYAITDN-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO CCC[C@@H](C)[C@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035501873 172236658 /nfs/dbraw/zinc/23/66/58/172236658.db2.gz JUBFPXAKQVNDOS-RNCFNFMXSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[C@H](C)[C@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035501874 172236253 /nfs/dbraw/zinc/23/62/53/172236253.db2.gz JUBFPXAKQVNDOS-ZANVPECISA-N 1 0 260.208 4.690 10 0 CJAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035501875 172236421 /nfs/dbraw/zinc/23/64/21/172236421.db2.gz JUBFPXAKQVNDOS-NOZJJQNGSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[C@H](C)[C@@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035501876 172236939 /nfs/dbraw/zinc/23/69/39/172236939.db2.gz JUBFPXAKQVNDOS-TVQRCGJNSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](CCC(C)C)c1cc(Cl)ccc1Cl ZINC000035501877 172236604 /nfs/dbraw/zinc/23/66/04/172236604.db2.gz FUPLKOZQEYFKPS-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@H](CCC(C)C)c1cc(Cl)ccc1Cl ZINC000035501878 172236506 /nfs/dbraw/zinc/23/65/06/172236506.db2.gz FUPLKOZQEYFKPS-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](CC(C)(C)C)c1cc(Cl)ccc1Cl ZINC000035501935 172236883 /nfs/dbraw/zinc/23/68/83/172236883.db2.gz CGEIFZJJYOADKD-LBPRGKRZSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@H](CC(C)(C)C)c1cc(Cl)ccc1Cl ZINC000035501936 172236379 /nfs/dbraw/zinc/23/63/79/172236379.db2.gz CGEIFZJJYOADKD-GFCCVEGCSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000035501947 172236265 /nfs/dbraw/zinc/23/62/65/172236265.db2.gz VDQGFJNMAFOSON-CQSZACIVSA-N 1 0 272.219 4.834 10 0 CJAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000035501948 172236962 /nfs/dbraw/zinc/23/69/62/172236962.db2.gz VDQGFJNMAFOSON-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO C[NH2+][C@@H](c1cccc(C)c1)c1cc(Cl)ccc1Cl ZINC000035501973 172236524 /nfs/dbraw/zinc/23/65/24/172236524.db2.gz VABVCYKTWZAVIE-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1cccc(C)c1)c1cc(Cl)ccc1Cl ZINC000035501974 172236922 /nfs/dbraw/zinc/23/69/22/172236922.db2.gz VABVCYKTWZAVIE-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1cccc(C)c1C)c1cc(Cl)ccc1Cl ZINC000035501975 172236673 /nfs/dbraw/zinc/23/66/73/172236673.db2.gz GTJNNBTYTIZWHT-INIZCTEOSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@H](c1cccc(C)c1C)c1cc(Cl)ccc1Cl ZINC000035501976 172236724 /nfs/dbraw/zinc/23/67/24/172236724.db2.gz GTJNNBTYTIZWHT-MRXNPFEDSA-N 1 0 294.225 4.919 10 0 CJAERO C[NH2+][C@@H](c1ccccc1C)c1cc(Cl)ccc1Cl ZINC000035501993 172236565 /nfs/dbraw/zinc/23/65/65/172236565.db2.gz VLFNEZZBPKTIOG-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1ccccc1C)c1cc(Cl)ccc1Cl ZINC000035501994 172236240 /nfs/dbraw/zinc/23/62/40/172236240.db2.gz VLFNEZZBPKTIOG-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO CCC(CC)[C@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035502017 172236342 /nfs/dbraw/zinc/23/63/42/172236342.db2.gz FTQKECXQWKYMRW-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CCC(CC)[C@@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000035502018 172236509 /nfs/dbraw/zinc/23/65/09/172236509.db2.gz FTQKECXQWKYMRW-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1sccc1C ZINC000035502046 172236825 /nfs/dbraw/zinc/23/68/25/172236825.db2.gz NZPVECCRYDCETQ-SECBINFHSA-N 1 0 292.256 4.734 10 0 CJAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1sccc1C ZINC000035502047 172236308 /nfs/dbraw/zinc/23/63/08/172236308.db2.gz NZPVECCRYDCETQ-VIFPVBQESA-N 1 0 292.256 4.734 10 0 CJAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)sc1Cl ZINC000035502048 172236849 /nfs/dbraw/zinc/23/68/49/172236849.db2.gz WCWWIZYPWPAOMZ-SNVBAGLBSA-N 1 0 292.256 4.734 10 0 CJAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)sc1Cl ZINC000035502049 172236707 /nfs/dbraw/zinc/23/67/07/172236707.db2.gz WCWWIZYPWPAOMZ-JTQLQIEISA-N 1 0 292.256 4.734 10 0 CJAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)C1CCCCC1 ZINC000035502225 172237141 /nfs/dbraw/zinc/23/71/41/172237141.db2.gz DKOVRXMUNARIGL-LLVKDONJSA-N 1 0 278.248 4.896 10 0 CJAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)C1CCCCC1 ZINC000035502226 172237830 /nfs/dbraw/zinc/23/78/30/172237830.db2.gz DKOVRXMUNARIGL-NSHDSACASA-N 1 0 278.248 4.896 10 0 CJAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1cccc(C)c1 ZINC000035502265 172237896 /nfs/dbraw/zinc/23/78/96/172237896.db2.gz XMVBBVMBJPGJEO-LBPRGKRZSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1cccc(C)c1 ZINC000035502266 172237694 /nfs/dbraw/zinc/23/76/94/172237694.db2.gz XMVBBVMBJPGJEO-GFCCVEGCSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccccc1C ZINC000035502327 172237542 /nfs/dbraw/zinc/23/75/42/172237542.db2.gz HZEDTIPREZZMIR-LBPRGKRZSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccccc1C ZINC000035502328 172237474 /nfs/dbraw/zinc/23/74/74/172237474.db2.gz HZEDTIPREZZMIR-GFCCVEGCSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccc(C)cc1 ZINC000035502369 172237547 /nfs/dbraw/zinc/23/75/47/172237547.db2.gz WNQANOYAEVHOCX-LBPRGKRZSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccc(C)cc1 ZINC000035502371 172237438 /nfs/dbraw/zinc/23/74/38/172237438.db2.gz WNQANOYAEVHOCX-GFCCVEGCSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@@H](Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000035502430 172237887 /nfs/dbraw/zinc/23/78/87/172237887.db2.gz BJVHWBVJTPWBCA-NSHDSACASA-N 1 0 286.227 4.558 10 0 CJAERO C[NH2+][C@H](Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000035502431 172237520 /nfs/dbraw/zinc/23/75/20/172237520.db2.gz BJVHWBVJTPWBCA-LLVKDONJSA-N 1 0 286.227 4.558 10 0 CJAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccc(C)c(C)c1 ZINC000035509339 172240552 /nfs/dbraw/zinc/24/05/52/172240552.db2.gz LXGNACWGYZAQPK-SFHVURJKSA-N 1 0 259.437 4.924 10 0 CJAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(C)c(C)c1 ZINC000035509341 172241000 /nfs/dbraw/zinc/24/10/00/172241000.db2.gz LXGNACWGYZAQPK-GOSISDBHSA-N 1 0 259.437 4.924 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(C)c(C)c1 ZINC000035509478 172241928 /nfs/dbraw/zinc/24/19/28/172241928.db2.gz ADNHTGZUZRJHEI-SFHVURJKSA-N 1 0 259.437 4.924 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(C)c(C)c1 ZINC000035509480 172241700 /nfs/dbraw/zinc/24/17/00/172241700.db2.gz ADNHTGZUZRJHEI-GOSISDBHSA-N 1 0 259.437 4.924 10 0 CJAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(C)c(C)c1 ZINC000035509556 172241862 /nfs/dbraw/zinc/24/18/62/172241862.db2.gz UKQSKMGTFMSUIA-KRWDZBQOSA-N 1 0 273.807 4.656 10 0 CJAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1ccc(C)c(C)c1 ZINC000035509558 172241921 /nfs/dbraw/zinc/24/19/21/172241921.db2.gz UKQSKMGTFMSUIA-QGZVFWFLSA-N 1 0 273.807 4.656 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)s1 ZINC000035509982 172241643 /nfs/dbraw/zinc/24/16/43/172241643.db2.gz MOOGNMHXEQNMLV-AWEZNQCLSA-N 1 0 279.836 4.603 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]CC)c1ccc(C)s1 ZINC000035510050 172241301 /nfs/dbraw/zinc/24/13/01/172241301.db2.gz SPNKMCJAPACTIZ-HIFRSBDPSA-N 1 0 253.455 4.924 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]CC)c1ccc(C)s1 ZINC000035510051 172241544 /nfs/dbraw/zinc/24/15/44/172241544.db2.gz SPNKMCJAPACTIZ-ZFWWWQNUSA-N 1 0 253.455 4.924 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]CC)c1ccc(C)s1 ZINC000035510053 172241786 /nfs/dbraw/zinc/24/17/86/172241786.db2.gz SPNKMCJAPACTIZ-UKRRQHHQSA-N 1 0 253.455 4.924 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]CC)c1ccc(C)s1 ZINC000035510055 172241637 /nfs/dbraw/zinc/24/16/37/172241637.db2.gz SPNKMCJAPACTIZ-DZGCQCFKSA-N 1 0 253.455 4.924 10 0 CJAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccc(C)s1 ZINC000035510079 172241416 /nfs/dbraw/zinc/24/14/16/172241416.db2.gz JTRWHDLMFJNBDF-AWEZNQCLSA-N 1 0 251.439 4.678 10 0 CJAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(C)s1 ZINC000035510081 172241468 /nfs/dbraw/zinc/24/14/68/172241468.db2.gz JTRWHDLMFJNBDF-CQSZACIVSA-N 1 0 251.439 4.678 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(C(C)C)cc1 ZINC000035510125 172241823 /nfs/dbraw/zinc/24/18/23/172241823.db2.gz LNEUQCICXVNZFJ-KRWDZBQOSA-N 1 0 273.445 4.879 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C(C)C)cc1 ZINC000035510127 172241810 /nfs/dbraw/zinc/24/18/10/172241810.db2.gz LNEUQCICXVNZFJ-QGZVFWFLSA-N 1 0 273.445 4.879 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)ccc1F ZINC000035510136 172241904 /nfs/dbraw/zinc/24/19/04/172241904.db2.gz OHNANBOOYUTUSG-CQSZACIVSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)ccc1F ZINC000035510138 172241495 /nfs/dbraw/zinc/24/14/95/172241495.db2.gz OHNANBOOYUTUSG-AWEZNQCLSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)cc1F ZINC000035510144 172241426 /nfs/dbraw/zinc/24/14/26/172241426.db2.gz ZWHGUIZORYNOSJ-AWEZNQCLSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)cc1F ZINC000035510146 172241844 /nfs/dbraw/zinc/24/18/44/172241844.db2.gz ZWHGUIZORYNOSJ-CQSZACIVSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)C(C)(C)c1ccccc1 ZINC000035510162 172241405 /nfs/dbraw/zinc/24/14/05/172241405.db2.gz IRFZHFWCHPTXBG-INIZCTEOSA-N 1 0 273.445 4.685 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)C(C)(C)c1ccccc1 ZINC000035510164 172241771 /nfs/dbraw/zinc/24/17/71/172241771.db2.gz IRFZHFWCHPTXBG-MRXNPFEDSA-N 1 0 273.445 4.685 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)s1 ZINC000035510166 172241349 /nfs/dbraw/zinc/24/13/49/172241349.db2.gz HFUODAUKZSGEEV-AWEZNQCLSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)s1 ZINC000035510168 172241876 /nfs/dbraw/zinc/24/18/76/172241876.db2.gz HFUODAUKZSGEEV-CQSZACIVSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1Cl ZINC000035510228 172241617 /nfs/dbraw/zinc/24/16/17/172241617.db2.gz NQKLTTGKWDBGJP-AWEZNQCLSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1Cl ZINC000035510230 172241392 /nfs/dbraw/zinc/24/13/92/172241392.db2.gz NQKLTTGKWDBGJP-CQSZACIVSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(C)s1 ZINC000035510239 172241555 /nfs/dbraw/zinc/24/15/55/172241555.db2.gz ZHVCGSWZPDGBRD-AWEZNQCLSA-N 1 0 251.439 4.678 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(C)s1 ZINC000035510241 172241738 /nfs/dbraw/zinc/24/17/38/172241738.db2.gz ZHVCGSWZPDGBRD-CQSZACIVSA-N 1 0 251.439 4.678 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)[C@@H](CC)c1ccccc1 ZINC000035510420 172242286 /nfs/dbraw/zinc/24/22/86/172242286.db2.gz ACRGRIOYNQUJDS-RDJZCZTQSA-N 1 0 273.445 4.901 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H](CC)c1ccccc1 ZINC000035510422 172242693 /nfs/dbraw/zinc/24/26/93/172242693.db2.gz ACRGRIOYNQUJDS-WBVHZDCISA-N 1 0 273.445 4.901 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H](CC)c1ccccc1 ZINC000035510424 172242598 /nfs/dbraw/zinc/24/25/98/172242598.db2.gz ACRGRIOYNQUJDS-DOTOQJQBSA-N 1 0 273.445 4.901 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H](CC)c1ccccc1 ZINC000035510425 172242410 /nfs/dbraw/zinc/24/24/10/172242410.db2.gz ACRGRIOYNQUJDS-NVXWUHKLSA-N 1 0 273.445 4.901 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)s1)c1c(F)cccc1Cl ZINC000035510438 172242109 /nfs/dbraw/zinc/24/21/09/172242109.db2.gz UZOWPXNVRGWFRW-AWEZNQCLSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)s1)c1c(F)cccc1Cl ZINC000035510440 172242697 /nfs/dbraw/zinc/24/26/97/172242697.db2.gz UZOWPXNVRGWFRW-CQSZACIVSA-N 1 0 283.799 4.548 10 0 CJAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(CC(C)C)cc1 ZINC000035510568 172242412 /nfs/dbraw/zinc/24/24/12/172242412.db2.gz DAUPIDBZRBVHIH-QAPCUYQASA-N 1 0 261.453 4.972 10 0 CJAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(CC(C)C)cc1 ZINC000035510570 172242105 /nfs/dbraw/zinc/24/21/05/172242105.db2.gz DAUPIDBZRBVHIH-YJBOKZPZSA-N 1 0 261.453 4.972 10 0 CJAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(CC(C)C)cc1 ZINC000035510572 172242590 /nfs/dbraw/zinc/24/25/90/172242590.db2.gz DAUPIDBZRBVHIH-CRAIPNDOSA-N 1 0 261.453 4.972 10 0 CJAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(CC(C)C)cc1 ZINC000035510574 172242356 /nfs/dbraw/zinc/24/23/56/172242356.db2.gz DAUPIDBZRBVHIH-MAUKXSAKSA-N 1 0 261.453 4.972 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C1CCCC1 ZINC000035510655 172242617 /nfs/dbraw/zinc/24/26/17/172242617.db2.gz NNOFDWNEBGWKON-GOSISDBHSA-N 1 0 259.437 4.726 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)C1CCCC1 ZINC000035510657 172242346 /nfs/dbraw/zinc/24/23/46/172242346.db2.gz NNOFDWNEBGWKON-SFHVURJKSA-N 1 0 259.437 4.726 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC(C)C)cc1)C(CC)CC ZINC000035510679 172242641 /nfs/dbraw/zinc/24/26/41/172242641.db2.gz CVELSJXQEKUCRN-SFHVURJKSA-N 1 0 261.453 4.972 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(CC)CC ZINC000035510681 172242274 /nfs/dbraw/zinc/24/22/74/172242274.db2.gz CVELSJXQEKUCRN-GOSISDBHSA-N 1 0 261.453 4.972 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(CC)s1 ZINC000035537349 172244313 /nfs/dbraw/zinc/24/43/13/172244313.db2.gz MQLZSNXAOSXECH-MRXNPFEDSA-N 1 0 273.445 4.512 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(CC)s1 ZINC000035537352 172244137 /nfs/dbraw/zinc/24/41/37/172244137.db2.gz MQLZSNXAOSXECH-INIZCTEOSA-N 1 0 273.445 4.512 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccccc1Cl ZINC000035537391 172244231 /nfs/dbraw/zinc/24/42/31/172244231.db2.gz KPXAPZUWHROWHN-OAHLLOKOSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccccc1Cl ZINC000035537394 172244184 /nfs/dbraw/zinc/24/41/84/172244184.db2.gz KPXAPZUWHROWHN-HNNXBMFYSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(CC)s1 ZINC000035537496 172244377 /nfs/dbraw/zinc/24/43/77/172244377.db2.gz MZVIRWCWVYBJGM-OAHLLOKOSA-N 1 0 265.466 4.932 10 0 CJAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccc(CC)s1 ZINC000035537499 172244444 /nfs/dbraw/zinc/24/44/44/172244444.db2.gz MZVIRWCWVYBJGM-HNNXBMFYSA-N 1 0 265.466 4.932 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccc(Cl)cc1F ZINC000035537589 172244347 /nfs/dbraw/zinc/24/43/47/172244347.db2.gz JPEZGWOBBRHDED-OAHLLOKOSA-N 1 0 297.826 4.802 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccc(Cl)cc1F ZINC000035537592 172244156 /nfs/dbraw/zinc/24/41/56/172244156.db2.gz JPEZGWOBBRHDED-HNNXBMFYSA-N 1 0 297.826 4.802 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC)s1)C1CCCCC1 ZINC000035537741 172244076 /nfs/dbraw/zinc/24/40/76/172244076.db2.gz XCTSLIAOZOCGOG-OAHLLOKOSA-N 1 0 251.439 4.541 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC)s1)C1CCCCC1 ZINC000035537744 172244296 /nfs/dbraw/zinc/24/42/96/172244296.db2.gz XCTSLIAOZOCGOG-HNNXBMFYSA-N 1 0 251.439 4.541 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cccc(Cl)c1 ZINC000035537852 172244245 /nfs/dbraw/zinc/24/42/45/172244245.db2.gz VDGVJNGLOSMRFY-OAHLLOKOSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1cccc(Cl)c1 ZINC000035537855 172244208 /nfs/dbraw/zinc/24/42/08/172244208.db2.gz VDGVJNGLOSMRFY-HNNXBMFYSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccc(Cl)cc1 ZINC000035537900 172244153 /nfs/dbraw/zinc/24/41/53/172244153.db2.gz SXSJPOMUASUGDR-OAHLLOKOSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccc(Cl)cc1 ZINC000035537903 172244252 /nfs/dbraw/zinc/24/42/52/172244252.db2.gz SXSJPOMUASUGDR-HNNXBMFYSA-N 1 0 279.836 4.663 10 0 CJAERO CCCCC[C@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538421 172245029 /nfs/dbraw/zinc/24/50/29/172245029.db2.gz KOKKIYVGQAXCMU-AWEZNQCLSA-N 1 0 269.816 4.580 10 0 CJAERO CCCCC[C@@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538423 172245011 /nfs/dbraw/zinc/24/50/11/172245011.db2.gz KOKKIYVGQAXCMU-CQSZACIVSA-N 1 0 269.816 4.580 10 0 CJAERO CCCCC[C@H]([NH2+]CC)c1ccc(Br)cc1 ZINC000035538953 172245829 /nfs/dbraw/zinc/24/58/29/172245829.db2.gz HPJXRMIOIQJPJX-AWEZNQCLSA-N 1 0 284.241 4.680 10 0 CJAERO CCCCC[C@@H]([NH2+]CC)c1ccc(Br)cc1 ZINC000035538956 172245688 /nfs/dbraw/zinc/24/56/88/172245688.db2.gz HPJXRMIOIQJPJX-CQSZACIVSA-N 1 0 284.241 4.680 10 0 CJAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(Br)cc1 ZINC000035538993 172245410 /nfs/dbraw/zinc/24/54/10/172245410.db2.gz SURCVSWTQIPEMW-RISCZKNCSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(Br)cc1 ZINC000035538995 172245606 /nfs/dbraw/zinc/24/56/06/172245606.db2.gz SURCVSWTQIPEMW-FZMZJTMJSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(Br)cc1 ZINC000035538997 172245639 /nfs/dbraw/zinc/24/56/39/172245639.db2.gz SURCVSWTQIPEMW-BXUZGUMPSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(Br)cc1 ZINC000035538999 172245628 /nfs/dbraw/zinc/24/56/28/172245628.db2.gz SURCVSWTQIPEMW-SMDDNHRTSA-N 1 0 284.241 4.536 10 0 CJAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(Br)cc1 ZINC000035539001 172245718 /nfs/dbraw/zinc/24/57/18/172245718.db2.gz AMEKJXDBCGXBCI-AWEZNQCLSA-N 1 0 284.241 4.536 10 0 CJAERO CC[NH2+][C@H](CCC(C)C)c1ccc(Br)cc1 ZINC000035539004 172245364 /nfs/dbraw/zinc/24/53/64/172245364.db2.gz AMEKJXDBCGXBCI-CQSZACIVSA-N 1 0 284.241 4.536 10 0 CJAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(Br)cc1 ZINC000035539178 172245525 /nfs/dbraw/zinc/24/55/25/172245525.db2.gz WXJIHHQYKMVRQE-ZDUSSCGKSA-N 1 0 284.241 4.536 10 0 CJAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(Br)cc1 ZINC000035539180 172245464 /nfs/dbraw/zinc/24/54/64/172245464.db2.gz WXJIHHQYKMVRQE-CYBMUJFWSA-N 1 0 284.241 4.536 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000035539202 172245625 /nfs/dbraw/zinc/24/56/25/172245625.db2.gz VCPOSUFWTMRDRE-OAHLLOKOSA-N 1 0 296.252 4.680 10 0 CJAERO CC[NH2+][C@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000035539204 172245509 /nfs/dbraw/zinc/24/55/09/172245509.db2.gz VCPOSUFWTMRDRE-HNNXBMFYSA-N 1 0 296.252 4.680 10 0 CJAERO CC[NH2+][C@H](c1ccc(Br)cc1)C(CC)CC ZINC000035539372 172245403 /nfs/dbraw/zinc/24/54/03/172245403.db2.gz KDVBWEMWNNLJIE-AWEZNQCLSA-N 1 0 284.241 4.536 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Br)cc1)C(CC)CC ZINC000035539374 172245715 /nfs/dbraw/zinc/24/57/15/172245715.db2.gz KDVBWEMWNNLJIE-CQSZACIVSA-N 1 0 284.241 4.536 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH2+]CC)c1ccc(F)cc1 ZINC000035539771 172245189 /nfs/dbraw/zinc/24/51/89/172245189.db2.gz OBRBTRDWKXWGRS-CJNGLKHVSA-N 1 0 251.389 4.693 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]CC)c1ccc(F)cc1 ZINC000035539774 172245789 /nfs/dbraw/zinc/24/57/89/172245789.db2.gz OBRBTRDWKXWGRS-BBRMVZONSA-N 1 0 251.389 4.693 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH2+]CC)c1ccc(F)cc1 ZINC000035539776 172245199 /nfs/dbraw/zinc/24/51/99/172245199.db2.gz OBRBTRDWKXWGRS-CZUORRHYSA-N 1 0 251.389 4.693 10 0 CJAERO CCCC[C@H](CC)[C@@H]([NH2+]CC)c1ccc(F)cc1 ZINC000035539779 172245215 /nfs/dbraw/zinc/24/52/15/172245215.db2.gz OBRBTRDWKXWGRS-XJKSGUPXSA-N 1 0 251.389 4.693 10 0 CJAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035540154 172246018 /nfs/dbraw/zinc/24/60/18/172246018.db2.gz KXNVMOKHJHIVJZ-INIZCTEOSA-N 1 0 291.847 4.589 10 0 CJAERO CC[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035540155 172246032 /nfs/dbraw/zinc/24/60/32/172246032.db2.gz KXNVMOKHJHIVJZ-MRXNPFEDSA-N 1 0 291.847 4.589 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000035540179 172245987 /nfs/dbraw/zinc/24/59/87/172245987.db2.gz AXTIVRRGLZJKQE-KRWDZBQOSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000035540180 172246549 /nfs/dbraw/zinc/24/65/49/172246549.db2.gz AXTIVRRGLZJKQE-QGZVFWFLSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000035540195 172246394 /nfs/dbraw/zinc/24/63/94/172246394.db2.gz FZOFZXRIRJYYBB-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000035540196 172246234 /nfs/dbraw/zinc/24/62/34/172246234.db2.gz FZOFZXRIRJYYBB-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](CC1CCCCC1)c1ccc(Cl)cc1 ZINC000035540224 172246077 /nfs/dbraw/zinc/24/60/77/172246077.db2.gz GNTCYOGHNGOEOS-INIZCTEOSA-N 1 0 265.828 4.961 10 0 CJAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(Cl)cc1 ZINC000035540225 172246227 /nfs/dbraw/zinc/24/62/27/172246227.db2.gz GNTCYOGHNGOEOS-MRXNPFEDSA-N 1 0 265.828 4.961 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000035540270 172246156 /nfs/dbraw/zinc/24/61/56/172246156.db2.gz QNVFEAQPOPVLCD-INIZCTEOSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000035540271 172246108 /nfs/dbraw/zinc/24/61/08/172246108.db2.gz QNVFEAQPOPVLCD-MRXNPFEDSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000035540298 172246268 /nfs/dbraw/zinc/24/62/68/172246268.db2.gz NMSINMUCYDKQBD-HNNXBMFYSA-N 1 0 298.188 4.831 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000035540299 172245912 /nfs/dbraw/zinc/24/59/12/172245912.db2.gz NMSINMUCYDKQBD-OAHLLOKOSA-N 1 0 298.188 4.831 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(Cl)cc1 ZINC000035540304 172246353 /nfs/dbraw/zinc/24/63/53/172246353.db2.gz CBKQLSFVIRBWIY-INIZCTEOSA-N 1 0 265.828 4.961 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(Cl)cc1 ZINC000035540305 172246101 /nfs/dbraw/zinc/24/61/01/172246101.db2.gz CBKQLSFVIRBWIY-MRXNPFEDSA-N 1 0 265.828 4.961 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000035540318 172247362 /nfs/dbraw/zinc/24/73/62/172247362.db2.gz SRZYAMAFLYZGKG-OAHLLOKOSA-N 1 0 251.801 4.571 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000035540320 172246994 /nfs/dbraw/zinc/24/69/94/172246994.db2.gz SRZYAMAFLYZGKG-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000035540363 172246884 /nfs/dbraw/zinc/24/68/84/172246884.db2.gz GGPGKSAHWKDVBC-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000035540364 172247412 /nfs/dbraw/zinc/24/74/12/172247412.db2.gz GGPGKSAHWKDVBC-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000035540469 172247285 /nfs/dbraw/zinc/24/72/85/172247285.db2.gz KDDIRHVSUZRBCX-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000035540470 172247065 /nfs/dbraw/zinc/24/70/65/172247065.db2.gz KDDIRHVSUZRBCX-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(C(C)C)cc1 ZINC000035540519 172247147 /nfs/dbraw/zinc/24/71/47/172247147.db2.gz IDQKJKQBBFLODS-SFHVURJKSA-N 1 0 253.389 4.509 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1ccc(C(C)C)cc1 ZINC000035540520 172247395 /nfs/dbraw/zinc/24/73/95/172247395.db2.gz IDQKJKQBBFLODS-GOSISDBHSA-N 1 0 253.389 4.509 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000035540587 172246984 /nfs/dbraw/zinc/24/69/84/172246984.db2.gz RAKOFSZPWYXQDJ-ZJIILYSQSA-N 1 0 269.432 4.554 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000035540588 172246888 /nfs/dbraw/zinc/24/68/88/172246888.db2.gz RAKOFSZPWYXQDJ-CHNSHAQVSA-N 1 0 269.432 4.554 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000035540591 172247253 /nfs/dbraw/zinc/24/72/53/172247253.db2.gz ZRAOKHCYTRQUPU-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000035540592 172247431 /nfs/dbraw/zinc/24/74/31/172247431.db2.gz ZRAOKHCYTRQUPU-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000035540642 172246913 /nfs/dbraw/zinc/24/69/13/172246913.db2.gz HCKXNTBOGYIBTH-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000035540643 172246809 /nfs/dbraw/zinc/24/68/09/172246809.db2.gz HCKXNTBOGYIBTH-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1Cl ZINC000035540680 172246966 /nfs/dbraw/zinc/24/69/66/172246966.db2.gz UPIPZXVGUMQKBW-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1Cl ZINC000035540681 172247259 /nfs/dbraw/zinc/24/72/59/172247259.db2.gz UPIPZXVGUMQKBW-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035540684 172247209 /nfs/dbraw/zinc/24/72/09/172247209.db2.gz WOABLLJHHQKSRH-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035540685 172247167 /nfs/dbraw/zinc/24/71/67/172247167.db2.gz WOABLLJHHQKSRH-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000035540696 172247201 /nfs/dbraw/zinc/24/72/01/172247201.db2.gz YYZNBWXDIVOHSB-HNNXBMFYSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000035540697 172247313 /nfs/dbraw/zinc/24/73/13/172247313.db2.gz YYZNBWXDIVOHSB-OAHLLOKOSA-N 1 0 280.198 4.692 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1cc(F)ccc1F ZINC000035543660 172252068 /nfs/dbraw/zinc/25/20/68/172252068.db2.gz NDCHWFWLSRMACV-INIZCTEOSA-N 1 0 267.363 4.586 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1cc(F)ccc1F ZINC000035543662 172251451 /nfs/dbraw/zinc/25/14/51/172251451.db2.gz NDCHWFWLSRMACV-MRXNPFEDSA-N 1 0 267.363 4.586 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1ccc([C@H](C)CC)cc1 ZINC000035543973 172252150 /nfs/dbraw/zinc/25/21/50/172252150.db2.gz MMGFRZKKLIZJND-DYVFJYSZSA-N 1 0 273.445 4.961 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1ccc([C@@H](C)CC)cc1 ZINC000035543975 172252111 /nfs/dbraw/zinc/25/21/11/172252111.db2.gz MMGFRZKKLIZJND-GUYCJALGSA-N 1 0 273.445 4.961 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1ccc([C@H](C)CC)cc1 ZINC000035543977 172251710 /nfs/dbraw/zinc/25/17/10/172251710.db2.gz MMGFRZKKLIZJND-CXAGYDPISA-N 1 0 273.445 4.961 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1ccc([C@@H](C)CC)cc1 ZINC000035543979 172252082 /nfs/dbraw/zinc/25/20/82/172252082.db2.gz MMGFRZKKLIZJND-SUMWQHHRSA-N 1 0 273.445 4.961 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc([C@H](C)CC)cc1 ZINC000035544402 172252920 /nfs/dbraw/zinc/25/29/20/172252920.db2.gz HUTVVUJPBVYEDP-BXUZGUMPSA-N 1 0 273.342 4.803 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc([C@@H](C)CC)cc1 ZINC000035544405 172252929 /nfs/dbraw/zinc/25/29/29/172252929.db2.gz HUTVVUJPBVYEDP-SMDDNHRTSA-N 1 0 273.342 4.803 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc([C@H](C)CC)cc1 ZINC000035544408 172253068 /nfs/dbraw/zinc/25/30/68/172253068.db2.gz HUTVVUJPBVYEDP-RISCZKNCSA-N 1 0 273.342 4.803 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc([C@@H](C)CC)cc1 ZINC000035544411 172253141 /nfs/dbraw/zinc/25/31/41/172253141.db2.gz HUTVVUJPBVYEDP-FZMZJTMJSA-N 1 0 273.342 4.803 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000035545323 172253696 /nfs/dbraw/zinc/25/36/96/172253696.db2.gz BHZLBDOFSWLAPK-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000035545325 172253785 /nfs/dbraw/zinc/25/37/85/172253785.db2.gz BHZLBDOFSWLAPK-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1cccs1 ZINC000035545339 172253266 /nfs/dbraw/zinc/25/32/66/172253266.db2.gz BUZPDLCEBGZIPZ-OLZOCXBDSA-N 1 0 253.455 4.861 10 0 CJAERO CC[NH2+][C@H](C[C@@H](C)CC(C)(C)C)c1cccs1 ZINC000035545341 172253397 /nfs/dbraw/zinc/25/33/97/172253397.db2.gz BUZPDLCEBGZIPZ-CHWSQXEVSA-N 1 0 253.455 4.861 10 0 CJAERO CC[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1cccs1 ZINC000035545343 172253818 /nfs/dbraw/zinc/25/38/18/172253818.db2.gz BUZPDLCEBGZIPZ-STQMWFEESA-N 1 0 253.455 4.861 10 0 CJAERO CC[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1cccs1 ZINC000035545344 172253453 /nfs/dbraw/zinc/25/34/53/172253453.db2.gz BUZPDLCEBGZIPZ-QWHCGFSZSA-N 1 0 253.455 4.861 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCCC1)c1cccs1 ZINC000035545512 172253772 /nfs/dbraw/zinc/25/37/72/172253772.db2.gz YIPYKLYHMLPDMP-AWEZNQCLSA-N 1 0 251.439 4.759 10 0 CJAERO CC[NH2+][C@H](CCC1CCCCC1)c1cccs1 ZINC000035545514 172253807 /nfs/dbraw/zinc/25/38/07/172253807.db2.gz YIPYKLYHMLPDMP-CQSZACIVSA-N 1 0 251.439 4.759 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000035545566 172253709 /nfs/dbraw/zinc/25/37/09/172253709.db2.gz VCIKMBIKCFOMIG-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000035545568 172253384 /nfs/dbraw/zinc/25/33/84/172253384.db2.gz VCIKMBIKCFOMIG-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000035545650 172253718 /nfs/dbraw/zinc/25/37/18/172253718.db2.gz UJELSMBVJJQFNK-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000035545652 172253554 /nfs/dbraw/zinc/25/35/54/172253554.db2.gz UJELSMBVJJQFNK-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1cccs1)[C@@H](CC)c1ccccc1 ZINC000035545688 172253391 /nfs/dbraw/zinc/25/33/91/172253391.db2.gz LIIPDTSWACPJNG-HOCLYGCPSA-N 1 0 259.418 4.593 10 0 CJAERO CC[NH2+][C@H](c1cccs1)[C@H](CC)c1ccccc1 ZINC000035545690 172253367 /nfs/dbraw/zinc/25/33/67/172253367.db2.gz LIIPDTSWACPJNG-ZBFHGGJFSA-N 1 0 259.418 4.593 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)[C@@H](CC)c1ccccc1 ZINC000035545692 172253388 /nfs/dbraw/zinc/25/33/88/172253388.db2.gz LIIPDTSWACPJNG-GOEBONIOSA-N 1 0 259.418 4.593 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)[C@H](CC)c1ccccc1 ZINC000035545694 172253282 /nfs/dbraw/zinc/25/32/82/172253282.db2.gz LIIPDTSWACPJNG-GDBMZVCRSA-N 1 0 259.418 4.593 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1cccc2ccccc21 ZINC000035545696 172253764 /nfs/dbraw/zinc/25/37/64/172253764.db2.gz VCPLJIIFWPBBQQ-KRWDZBQOSA-N 1 0 267.397 4.600 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1cccc2ccccc21 ZINC000035545698 172253809 /nfs/dbraw/zinc/25/38/09/172253809.db2.gz VCPLJIIFWPBBQQ-QGZVFWFLSA-N 1 0 267.397 4.600 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1cccc(Cl)c1Cl ZINC000035545704 172253845 /nfs/dbraw/zinc/25/38/45/172253845.db2.gz SBPLPARKGBEQFV-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1cccc(Cl)c1Cl ZINC000035545706 172253587 /nfs/dbraw/zinc/25/35/87/172253587.db2.gz SBPLPARKGBEQFV-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1c(Cl)cccc1Cl ZINC000035545712 172253335 /nfs/dbraw/zinc/25/33/35/172253335.db2.gz BHPMUFJXKLSFEZ-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1c(Cl)cccc1Cl ZINC000035545714 172253447 /nfs/dbraw/zinc/25/34/47/172253447.db2.gz BHPMUFJXKLSFEZ-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000035545729 172253825 /nfs/dbraw/zinc/25/38/25/172253825.db2.gz PDKICVBXCZKESI-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000035545731 172253592 /nfs/dbraw/zinc/25/35/92/172253592.db2.gz PDKICVBXCZKESI-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1Cl)c1cc(C)ccc1C ZINC000035546362 172254505 /nfs/dbraw/zinc/25/45/05/172254505.db2.gz RGUBVRWSKSVZFN-KRWDZBQOSA-N 1 0 273.807 4.656 10 0 CJAERO CC[NH2+][C@H](c1ccccc1Cl)c1cc(C)ccc1C ZINC000035546364 172254141 /nfs/dbraw/zinc/25/41/41/172254141.db2.gz RGUBVRWSKSVZFN-QGZVFWFLSA-N 1 0 273.807 4.656 10 0 CJAERO CC[NH2+][C@@H](CC1CCCCC1)c1cc(C)ccc1C ZINC000035546441 172254310 /nfs/dbraw/zinc/25/43/10/172254310.db2.gz BHSPAYGYISDUJM-SFHVURJKSA-N 1 0 259.437 4.924 10 0 CJAERO CC[NH2+][C@H](CC1CCCCC1)c1cc(C)ccc1C ZINC000035546443 172254173 /nfs/dbraw/zinc/25/41/73/172254173.db2.gz BHSPAYGYISDUJM-GOSISDBHSA-N 1 0 259.437 4.924 10 0 CJAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1cc(C)ccc1C ZINC000035546649 172254044 /nfs/dbraw/zinc/25/40/44/172254044.db2.gz AJUMCIPUJNTSIH-KRWDZBQOSA-N 1 0 273.807 4.656 10 0 CJAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1cc(C)ccc1C ZINC000035546651 172254063 /nfs/dbraw/zinc/25/40/63/172254063.db2.gz AJUMCIPUJNTSIH-QGZVFWFLSA-N 1 0 273.807 4.656 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1c(C)c(C)cc(C)c1C ZINC000035547000 172255337 /nfs/dbraw/zinc/25/53/37/172255337.db2.gz NRGAMTBYWLQMCV-KRWDZBQOSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1c(C)c(C)cc(C)c1C ZINC000035547001 172254878 /nfs/dbraw/zinc/25/48/78/172254878.db2.gz NRGAMTBYWLQMCV-QGZVFWFLSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(F)cc1F ZINC000035547493 172255960 /nfs/dbraw/zinc/25/59/60/172255960.db2.gz QSKWEGKTVZYLRE-INIZCTEOSA-N 1 0 267.363 4.586 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(F)cc1F ZINC000035547495 172256210 /nfs/dbraw/zinc/25/62/10/172256210.db2.gz QSKWEGKTVZYLRE-MRXNPFEDSA-N 1 0 267.363 4.586 10 0 CJAERO CC[NH2+][C@H](c1sccc1C)c1c(C)cc(C)cc1C ZINC000035547666 172256148 /nfs/dbraw/zinc/25/61/48/172256148.db2.gz OJPRQIZQHCQNNW-INIZCTEOSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](c1sccc1C)c1c(C)cc(C)cc1C ZINC000035547668 172255706 /nfs/dbraw/zinc/25/57/06/172255706.db2.gz OJPRQIZQHCQNNW-MRXNPFEDSA-N 1 0 273.445 4.681 10 0 CJAERO CCCCc1ccc([C@@H](CC(F)(F)F)[NH2+]CC)cc1 ZINC000035548181 172256189 /nfs/dbraw/zinc/25/61/89/172256189.db2.gz ZAMICGPEFUCUMR-CQSZACIVSA-N 1 0 273.342 4.632 10 0 CJAERO CCCCc1ccc([C@H](CC(F)(F)F)[NH2+]CC)cc1 ZINC000035548183 172256085 /nfs/dbraw/zinc/25/60/85/172256085.db2.gz ZAMICGPEFUCUMR-AWEZNQCLSA-N 1 0 273.342 4.632 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C(C)C)cc1C(C)C)C1CC1 ZINC000035548506 172256427 /nfs/dbraw/zinc/25/64/27/172256427.db2.gz YNMVWAXKIXKAKI-GOSISDBHSA-N 1 0 259.437 4.994 10 0 CJAERO CC[NH2+][C@H](c1ccc(C(C)C)cc1C(C)C)C1CC1 ZINC000035548508 172256855 /nfs/dbraw/zinc/25/68/55/172256855.db2.gz YNMVWAXKIXKAKI-SFHVURJKSA-N 1 0 259.437 4.994 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(F)c(F)c1 ZINC000035548962 172256697 /nfs/dbraw/zinc/25/66/97/172256697.db2.gz LYDIHNNJDUAEMA-INIZCTEOSA-N 1 0 267.363 4.586 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(F)c(F)c1 ZINC000035548965 172256622 /nfs/dbraw/zinc/25/66/22/172256622.db2.gz LYDIHNNJDUAEMA-MRXNPFEDSA-N 1 0 267.363 4.586 10 0 CJAERO CCCc1ccc([C@H]([NH2+]CC)C2CCCCC2)cc1 ZINC000035550524 172258177 /nfs/dbraw/zinc/25/81/77/172258177.db2.gz DMNXPSNQFWAATG-GOSISDBHSA-N 1 0 259.437 4.870 10 0 CJAERO CCCc1ccc([C@@H]([NH2+]CC)C2CCCCC2)cc1 ZINC000035550527 172258542 /nfs/dbraw/zinc/25/85/42/172258542.db2.gz DMNXPSNQFWAATG-SFHVURJKSA-N 1 0 259.437 4.870 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(C)sc1C ZINC000035552030 172259323 /nfs/dbraw/zinc/25/93/23/172259323.db2.gz CWWYIWYCQRDBEA-INIZCTEOSA-N 1 0 293.863 4.912 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(C)sc1C ZINC000035552033 172259008 /nfs/dbraw/zinc/25/90/08/172259008.db2.gz CWWYIWYCQRDBEA-MRXNPFEDSA-N 1 0 293.863 4.912 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1Cl ZINC000035552071 172258975 /nfs/dbraw/zinc/25/89/75/172258975.db2.gz GBZINXKUVGCMPO-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1Cl ZINC000035552074 172259003 /nfs/dbraw/zinc/25/90/03/172259003.db2.gz GBZINXKUVGCMPO-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](CC1CCCCC1)c1cc(C)sc1C ZINC000035552166 172258916 /nfs/dbraw/zinc/25/89/16/172258916.db2.gz HRAICOSOSXHHRS-INIZCTEOSA-N 1 0 265.466 4.986 10 0 CJAERO CC[NH2+][C@H](CC1CCCCC1)c1cc(C)sc1C ZINC000035552168 172259468 /nfs/dbraw/zinc/25/94/68/172259468.db2.gz HRAICOSOSXHHRS-MRXNPFEDSA-N 1 0 265.466 4.986 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(Cl)cc1F ZINC000035552247 172259083 /nfs/dbraw/zinc/25/90/83/172259083.db2.gz DBHHWRDMWMEFDA-HNNXBMFYSA-N 1 0 297.826 4.856 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(Cl)cc1F ZINC000035552250 172259229 /nfs/dbraw/zinc/25/92/29/172259229.db2.gz DBHHWRDMWMEFDA-OAHLLOKOSA-N 1 0 297.826 4.856 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1C)c1cc(C)sc1C ZINC000035552272 172259549 /nfs/dbraw/zinc/25/95/49/172259549.db2.gz DUOFTMVQCDJUTG-KRWDZBQOSA-N 1 0 273.445 4.567 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1C)c1cc(C)sc1C ZINC000035552274 172259540 /nfs/dbraw/zinc/25/95/40/172259540.db2.gz DUOFTMVQCDJUTG-QGZVFWFLSA-N 1 0 273.445 4.567 10 0 CJAERO CC[NH2+][C@@H](CCC1CCCC1)c1cc(C)sc1C ZINC000035552401 172259184 /nfs/dbraw/zinc/25/91/84/172259184.db2.gz ZNCOYHCYOVDMOO-INIZCTEOSA-N 1 0 265.466 4.986 10 0 CJAERO CC[NH2+][C@H](CCC1CCCC1)c1cc(C)sc1C ZINC000035552405 172259140 /nfs/dbraw/zinc/25/91/40/172259140.db2.gz ZNCOYHCYOVDMOO-MRXNPFEDSA-N 1 0 265.466 4.986 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cc(C)cc(C)c1 ZINC000035552408 172258856 /nfs/dbraw/zinc/25/88/56/172258856.db2.gz CYWMZPPSDVPUKR-KRWDZBQOSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cc(C)cc(C)c1 ZINC000035552411 172259460 /nfs/dbraw/zinc/25/94/60/172259460.db2.gz CYWMZPPSDVPUKR-QGZVFWFLSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)C1CCCCC1 ZINC000035552435 172259162 /nfs/dbraw/zinc/25/91/62/172259162.db2.gz LTSQMJJEVFCSTI-OAHLLOKOSA-N 1 0 251.439 4.596 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)C1CCCCC1 ZINC000035552439 172259122 /nfs/dbraw/zinc/25/91/22/172259122.db2.gz LTSQMJJEVFCSTI-HNNXBMFYSA-N 1 0 251.439 4.596 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cccc(C)c1C ZINC000035552546 172259043 /nfs/dbraw/zinc/25/90/43/172259043.db2.gz SHHVOKJQQIIZKC-KRWDZBQOSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cccc(C)c1C ZINC000035552549 172259243 /nfs/dbraw/zinc/25/92/43/172259243.db2.gz SHHVOKJQQIIZKC-QGZVFWFLSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cccc(Cl)c1 ZINC000035552564 172260146 /nfs/dbraw/zinc/26/01/46/172260146.db2.gz PKSIEYPNEKQRHD-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cccc(Cl)c1 ZINC000035552568 172260407 /nfs/dbraw/zinc/26/04/07/172260407.db2.gz PKSIEYPNEKQRHD-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(Cl)cc1 ZINC000035552614 172259879 /nfs/dbraw/zinc/25/98/79/172259879.db2.gz HTPKEBRNQQSUFA-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(Cl)cc1 ZINC000035552618 172260063 /nfs/dbraw/zinc/26/00/63/172260063.db2.gz HTPKEBRNQQSUFA-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(C)c(C)c1 ZINC000035552711 172260223 /nfs/dbraw/zinc/26/02/23/172260223.db2.gz ANBWNCFCDIMQNJ-KRWDZBQOSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(C)c(C)c1 ZINC000035552714 172259948 /nfs/dbraw/zinc/25/99/48/172259948.db2.gz ANBWNCFCDIMQNJ-QGZVFWFLSA-N 1 0 273.445 4.681 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000035552837 172259811 /nfs/dbraw/zinc/25/98/11/172259811.db2.gz AXWIDVBZLHRFHK-AWEZNQCLSA-N 1 0 297.876 4.651 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000035552841 172259968 /nfs/dbraw/zinc/25/99/68/172259968.db2.gz AXWIDVBZLHRFHK-CQSZACIVSA-N 1 0 297.876 4.651 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(Cl)s1 ZINC000035552915 172260441 /nfs/dbraw/zinc/26/04/41/172260441.db2.gz XJECTERCNMXQHI-ZDUSSCGKSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(Cl)s1 ZINC000035552919 172259858 /nfs/dbraw/zinc/25/98/58/172259858.db2.gz XJECTERCNMXQHI-CYBMUJFWSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1Cl ZINC000035552960 172260194 /nfs/dbraw/zinc/26/01/94/172260194.db2.gz YOBZFHRPLOKXHW-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1Cl ZINC000035552964 172260108 /nfs/dbraw/zinc/26/01/08/172260108.db2.gz YOBZFHRPLOKXHW-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(CC)cc1 ZINC000035553131 172259710 /nfs/dbraw/zinc/25/97/10/172259710.db2.gz CYHPPWMJTACSEV-HNNXBMFYSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(CC)cc1 ZINC000035553135 172260343 /nfs/dbraw/zinc/26/03/43/172260343.db2.gz CYHPPWMJTACSEV-OAHLLOKOSA-N 1 0 279.836 4.663 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)ccc1C ZINC000035553143 172260158 /nfs/dbraw/zinc/26/01/58/172260158.db2.gz OWQXQTXGPFNSDC-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)ccc1C ZINC000035553144 172260314 /nfs/dbraw/zinc/26/03/14/172260314.db2.gz OWQXQTXGPFNSDC-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1C)c1ccc(Cl)s1 ZINC000035553190 172259854 /nfs/dbraw/zinc/25/98/54/172259854.db2.gz DCBWUHRBRXJZQY-ZDUSSCGKSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1C)c1ccc(Cl)s1 ZINC000035553193 172260192 /nfs/dbraw/zinc/26/01/92/172260192.db2.gz DCBWUHRBRXJZQY-CYBMUJFWSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)cc(C)c1 ZINC000035553345 172260422 /nfs/dbraw/zinc/26/04/22/172260422.db2.gz UGRLDZQVAQOVLD-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)cc(C)c1 ZINC000035553349 172259802 /nfs/dbraw/zinc/25/98/02/172259802.db2.gz UGRLDZQVAQOVLD-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](CCc1ccccc1)c1ccc(Cl)s1 ZINC000035553353 172260213 /nfs/dbraw/zinc/26/02/13/172260213.db2.gz WPADFXHRCOWDKG-ZDUSSCGKSA-N 1 0 279.836 4.685 10 0 CJAERO CC[NH2+][C@H](CCc1ccccc1)c1ccc(Cl)s1 ZINC000035553357 172259690 /nfs/dbraw/zinc/25/96/90/172259690.db2.gz WPADFXHRCOWDKG-CYBMUJFWSA-N 1 0 279.836 4.685 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)C1CCCCC1 ZINC000035553376 172260443 /nfs/dbraw/zinc/26/04/43/172260443.db2.gz VEHMYFZSIZOSQY-CYBMUJFWSA-N 1 0 257.830 4.632 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)C1CCCCC1 ZINC000035553380 172259914 /nfs/dbraw/zinc/25/99/14/172259914.db2.gz VEHMYFZSIZOSQY-ZDUSSCGKSA-N 1 0 257.830 4.632 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035553416 172259742 /nfs/dbraw/zinc/25/97/42/172259742.db2.gz DNGWSYZTXGHYMD-AWEZNQCLSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035553420 172259806 /nfs/dbraw/zinc/25/98/06/172259806.db2.gz DNGWSYZTXGHYMD-CQSZACIVSA-N 1 0 283.799 4.548 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(C)c1C ZINC000035553500 172259905 /nfs/dbraw/zinc/25/99/05/172259905.db2.gz MLWCOORZRKAZRY-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(C)c1C ZINC000035553503 172260367 /nfs/dbraw/zinc/26/03/67/172260367.db2.gz MLWCOORZRKAZRY-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000035553522 172259935 /nfs/dbraw/zinc/25/99/35/172259935.db2.gz KZOZPGYXMWQACS-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000035553526 172259952 /nfs/dbraw/zinc/25/99/52/172259952.db2.gz KZOZPGYXMWQACS-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)cc1C ZINC000035553559 172260414 /nfs/dbraw/zinc/26/04/14/172260414.db2.gz SRUMEYQUKFZISJ-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)cc1C ZINC000035553563 172259703 /nfs/dbraw/zinc/25/97/03/172259703.db2.gz SRUMEYQUKFZISJ-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000035553583 172260381 /nfs/dbraw/zinc/26/03/81/172260381.db2.gz OTARMUQDCDFBMA-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000035553587 172260182 /nfs/dbraw/zinc/26/01/82/172260182.db2.gz OTARMUQDCDFBMA-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)c(C)c1 ZINC000035553705 172260054 /nfs/dbraw/zinc/26/00/54/172260054.db2.gz NULUXYAREZKIPN-HNNXBMFYSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)c(C)c1 ZINC000035553709 172260003 /nfs/dbraw/zinc/26/00/03/172260003.db2.gz NULUXYAREZKIPN-OAHLLOKOSA-N 1 0 279.836 4.717 10 0 CJAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC(C)C)cc1 ZINC000035554063 172260826 /nfs/dbraw/zinc/26/08/26/172260826.db2.gz XWCIUUFFCCOOPE-INIZCTEOSA-N 1 0 263.425 4.561 10 0 CJAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC(C)C)cc1 ZINC000035554067 172260782 /nfs/dbraw/zinc/26/07/82/172260782.db2.gz XWCIUUFFCCOOPE-MRXNPFEDSA-N 1 0 263.425 4.561 10 0 CJAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)C(CC)CC ZINC000035554225 172261183 /nfs/dbraw/zinc/26/11/83/172261183.db2.gz JTHGZSZUSOOHBW-KRWDZBQOSA-N 1 0 263.425 4.561 10 0 CJAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C(CC)CC ZINC000035554229 172261113 /nfs/dbraw/zinc/26/11/13/172261113.db2.gz JTHGZSZUSOOHBW-QGZVFWFLSA-N 1 0 263.425 4.561 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)o1)c1csc2ccccc12 ZINC000035554854 172260981 /nfs/dbraw/zinc/26/09/81/172260981.db2.gz MPBVJTAAOCMXQO-MRXNPFEDSA-N 1 0 271.385 4.502 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)o1)c1csc2ccccc12 ZINC000035554856 172261175 /nfs/dbraw/zinc/26/11/75/172261175.db2.gz MPBVJTAAOCMXQO-INIZCTEOSA-N 1 0 271.385 4.502 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1csc2ccccc12 ZINC000035554859 172261100 /nfs/dbraw/zinc/26/11/00/172261100.db2.gz QWUBZRCIYKWRCV-HNNXBMFYSA-N 1 0 273.426 4.662 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1csc2ccccc12 ZINC000035554862 172260772 /nfs/dbraw/zinc/26/07/72/172260772.db2.gz QWUBZRCIYKWRCV-OAHLLOKOSA-N 1 0 273.426 4.662 10 0 CJAERO CC[NH2+][C@@H](c1csc2ccccc12)c1sccc1C ZINC000035554874 172261115 /nfs/dbraw/zinc/26/11/15/172261115.db2.gz HCFKRIVQGHOBLB-HNNXBMFYSA-N 1 0 287.453 4.970 10 0 CJAERO CC[NH2+][C@H](c1csc2ccccc12)c1sccc1C ZINC000035554876 172261107 /nfs/dbraw/zinc/26/11/07/172261107.db2.gz HCFKRIVQGHOBLB-OAHLLOKOSA-N 1 0 287.453 4.970 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1csc2ccccc12 ZINC000035554914 172261371 /nfs/dbraw/zinc/26/13/71/172261371.db2.gz SGTUWFXGAIXCHS-OAHLLOKOSA-N 1 0 273.426 4.662 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1csc2ccccc12 ZINC000035554917 172260701 /nfs/dbraw/zinc/26/07/01/172260701.db2.gz SGTUWFXGAIXCHS-HNNXBMFYSA-N 1 0 273.426 4.662 10 0 CJAERO CC[NH2+][C@H](c1csc2ccccc21)c1ccccc1 ZINC000035554970 172261592 /nfs/dbraw/zinc/26/15/92/172261592.db2.gz JNKILMJJQBQFPJ-KRWDZBQOSA-N 1 0 267.397 4.600 10 0 CJAERO CC[NH2+][C@@H](c1csc2ccccc21)c1ccccc1 ZINC000035554973 172261628 /nfs/dbraw/zinc/26/16/28/172261628.db2.gz JNKILMJJQBQFPJ-QGZVFWFLSA-N 1 0 267.397 4.600 10 0 CJAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1csc2ccccc21 ZINC000035555054 172261839 /nfs/dbraw/zinc/26/18/39/172261839.db2.gz AAJLYCAEXBVCSW-WBMJQRKESA-N 1 0 261.434 4.988 10 0 CJAERO CCC[C@H](C)[C@H]([NH2+]CC)c1csc2ccccc12 ZINC000035555057 172262125 /nfs/dbraw/zinc/26/21/25/172262125.db2.gz AAJLYCAEXBVCSW-LRDDRELGSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1csc2ccccc12 ZINC000035555061 172261837 /nfs/dbraw/zinc/26/18/37/172261837.db2.gz AAJLYCAEXBVCSW-MLGOLLRUSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1csc2ccccc12 ZINC000035555063 172261743 /nfs/dbraw/zinc/26/17/43/172261743.db2.gz AAJLYCAEXBVCSW-BLLLJJGKSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@@H](CCC(C)C)c1csc2ccccc21 ZINC000035555066 172261691 /nfs/dbraw/zinc/26/16/91/172261691.db2.gz AQGLCKKZZOKRGJ-HNNXBMFYSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@H](CCC(C)C)c1csc2ccccc21 ZINC000035555069 172261967 /nfs/dbraw/zinc/26/19/67/172261967.db2.gz AQGLCKKZZOKRGJ-OAHLLOKOSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@@H](CC(C)(C)C)c1csc2ccccc12 ZINC000035555190 172262106 /nfs/dbraw/zinc/26/21/06/172262106.db2.gz XYWIGJKOBYSXBU-AWEZNQCLSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@H](CC(C)(C)C)c1csc2ccccc12 ZINC000035555193 172261469 /nfs/dbraw/zinc/26/14/69/172261469.db2.gz XYWIGJKOBYSXBU-CQSZACIVSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@@H](c1csc2ccccc12)C1CCCC1 ZINC000035555355 172262051 /nfs/dbraw/zinc/26/20/51/172262051.db2.gz UDKQWAKSDYJRDJ-MRXNPFEDSA-N 1 0 259.418 4.742 10 0 CJAERO CC[NH2+][C@H](c1csc2ccccc12)C1CCCC1 ZINC000035555358 172261778 /nfs/dbraw/zinc/26/17/78/172261778.db2.gz UDKQWAKSDYJRDJ-INIZCTEOSA-N 1 0 259.418 4.742 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1csc2ccccc12 ZINC000035555366 172261448 /nfs/dbraw/zinc/26/14/48/172261448.db2.gz OCVUTGXXQOHLCZ-NSHDSACASA-N 1 0 273.323 4.504 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1csc2ccccc12 ZINC000035555369 172261534 /nfs/dbraw/zinc/26/15/34/172261534.db2.gz OCVUTGXXQOHLCZ-LLVKDONJSA-N 1 0 273.323 4.504 10 0 CJAERO CC[NH2+][C@H](c1csc2ccccc21)C(CC)CC ZINC000035555401 172261973 /nfs/dbraw/zinc/26/19/73/172261973.db2.gz QQTAFFHXURKETN-INIZCTEOSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@@H](c1csc2ccccc21)C(CC)CC ZINC000035555404 172261511 /nfs/dbraw/zinc/26/15/11/172261511.db2.gz QQTAFFHXURKETN-MRXNPFEDSA-N 1 0 261.434 4.988 10 0 CJAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035557871 172263629 /nfs/dbraw/zinc/26/36/29/172263629.db2.gz PPLWMRPSWOSQHP-AWEZNQCLSA-N 1 0 284.186 4.594 10 0 CJAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035557873 172263269 /nfs/dbraw/zinc/26/32/69/172263269.db2.gz PPLWMRPSWOSQHP-CQSZACIVSA-N 1 0 284.186 4.594 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000035557876 172263254 /nfs/dbraw/zinc/26/32/54/172263254.db2.gz YZMDGIGYMDTUAR-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000035557878 172263800 /nfs/dbraw/zinc/26/38/00/172263800.db2.gz YZMDGIGYMDTUAR-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035557904 172263296 /nfs/dbraw/zinc/26/32/96/172263296.db2.gz VJHMVVHTTMGYNQ-ZDUSSCGKSA-N 1 0 284.186 4.594 10 0 CJAERO CC[NH2+][C@@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035557907 172263360 /nfs/dbraw/zinc/26/33/60/172263360.db2.gz VJHMVVHTTMGYNQ-CYBMUJFWSA-N 1 0 284.186 4.594 10 0 CJAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1 ZINC000035557910 172263110 /nfs/dbraw/zinc/26/31/10/172263110.db2.gz JEDYGKRBKPSQIF-HNNXBMFYSA-N 1 0 298.213 4.902 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1 ZINC000035557912 172263174 /nfs/dbraw/zinc/26/31/74/172263174.db2.gz JEDYGKRBKPSQIF-OAHLLOKOSA-N 1 0 298.213 4.902 10 0 CJAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(Cl)c(Cl)c1 ZINC000035557927 172263740 /nfs/dbraw/zinc/26/37/40/172263740.db2.gz ICYZVZSVVUUHAY-AWEZNQCLSA-N 1 0 284.186 4.594 10 0 CJAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(Cl)c(Cl)c1 ZINC000035557929 172263280 /nfs/dbraw/zinc/26/32/80/172263280.db2.gz ICYZVZSVVUUHAY-CQSZACIVSA-N 1 0 284.186 4.594 10 0 CJAERO CCCC[C@H]([NH2+]CC)c1ccc(Cl)c(Cl)c1 ZINC000035557965 172263856 /nfs/dbraw/zinc/26/38/56/172263856.db2.gz VTXVRWKNLAXJSV-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCCC[C@@H]([NH2+]CC)c1ccc(Cl)c(Cl)c1 ZINC000035557968 172263745 /nfs/dbraw/zinc/26/37/45/172263745.db2.gz VTXVRWKNLAXJSV-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000035557997 172263551 /nfs/dbraw/zinc/26/35/51/172263551.db2.gz INJSWAQPVRYKHT-LBPRGKRZSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000035558000 172263792 /nfs/dbraw/zinc/26/37/92/172263792.db2.gz INJSWAQPVRYKHT-GFCCVEGCSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H](C)CC ZINC000035558175 172263541 /nfs/dbraw/zinc/26/35/41/172263541.db2.gz JMWMTEWIFROLIU-RNCFNFMXSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C)CC ZINC000035558177 172263288 /nfs/dbraw/zinc/26/32/88/172263288.db2.gz JMWMTEWIFROLIU-ZANVPECISA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H](C)CC ZINC000035558180 172263413 /nfs/dbraw/zinc/26/34/13/172263413.db2.gz JMWMTEWIFROLIU-NOZJJQNGSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](C)CC ZINC000035558183 172263858 /nfs/dbraw/zinc/26/38/58/172263858.db2.gz JMWMTEWIFROLIU-TVQRCGJNSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000035558222 172263670 /nfs/dbraw/zinc/26/36/70/172263670.db2.gz PFRLOCSZBDGVFQ-HNNXBMFYSA-N 1 0 298.188 4.831 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000035558224 172263158 /nfs/dbraw/zinc/26/31/58/172263158.db2.gz PFRLOCSZBDGVFQ-OAHLLOKOSA-N 1 0 298.188 4.831 10 0 CJAERO CC[NH2+][C@@H](CC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000035558232 172263462 /nfs/dbraw/zinc/26/34/62/172263462.db2.gz LVWXJVBDJDGMFX-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](CC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000035558235 172263171 /nfs/dbraw/zinc/26/31/71/172263171.db2.gz LVWXJVBDJDGMFX-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035558248 172263316 /nfs/dbraw/zinc/26/33/16/172263316.db2.gz ASRFCQYATRZFPU-HNNXBMFYSA-N 1 0 298.188 4.831 10 0 CJAERO CC[NH2+][C@H](c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035558249 172263346 /nfs/dbraw/zinc/26/33/46/172263346.db2.gz ASRFCQYATRZFPU-OAHLLOKOSA-N 1 0 298.188 4.831 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000035558317 172263738 /nfs/dbraw/zinc/26/37/38/172263738.db2.gz FMUVFRPSGZLJOS-CQSZACIVSA-N 1 0 272.219 4.834 10 0 CJAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000035558319 172263882 /nfs/dbraw/zinc/26/38/82/172263882.db2.gz FMUVFRPSGZLJOS-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000035558331 172263189 /nfs/dbraw/zinc/26/31/89/172263189.db2.gz MEQBWVCDMODUIW-JTQLQIEISA-N 1 0 286.124 4.596 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000035558333 172263870 /nfs/dbraw/zinc/26/38/70/172263870.db2.gz MEQBWVCDMODUIW-SNVBAGLBSA-N 1 0 286.124 4.596 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1cc(Cl)ccc1Cl ZINC000035558634 172264832 /nfs/dbraw/zinc/26/48/32/172264832.db2.gz AYSHQNRJQGYLCU-ZDUSSCGKSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1cc(Cl)ccc1Cl ZINC000035558637 172264357 /nfs/dbraw/zinc/26/43/57/172264357.db2.gz AYSHQNRJQGYLCU-CYBMUJFWSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1cc(Cl)ccc1Cl ZINC000035558665 172264292 /nfs/dbraw/zinc/26/42/92/172264292.db2.gz OUYDHZCMMAOPEX-HNNXBMFYSA-N 1 0 298.213 4.902 10 0 CJAERO CC[NH2+][C@H](c1cc(C)oc1C)c1cc(Cl)ccc1Cl ZINC000035558668 172264088 /nfs/dbraw/zinc/26/40/88/172264088.db2.gz OUYDHZCMMAOPEX-OAHLLOKOSA-N 1 0 298.213 4.902 10 0 CJAERO CC[NH2+][C@@H](c1ccoc1C)c1cc(Cl)ccc1Cl ZINC000035558681 172264211 /nfs/dbraw/zinc/26/42/11/172264211.db2.gz GBRZSBUCEIAFEO-AWEZNQCLSA-N 1 0 284.186 4.594 10 0 CJAERO CC[NH2+][C@H](c1ccoc1C)c1cc(Cl)ccc1Cl ZINC000035558683 172264660 /nfs/dbraw/zinc/26/46/60/172264660.db2.gz GBRZSBUCEIAFEO-CQSZACIVSA-N 1 0 284.186 4.594 10 0 CJAERO CCCC[C@H]([NH2+]CC)c1cc(Cl)ccc1Cl ZINC000035558716 172264240 /nfs/dbraw/zinc/26/42/40/172264240.db2.gz APRRUOFGGGJOMD-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCCC[C@@H]([NH2+]CC)c1cc(Cl)ccc1Cl ZINC000035558718 172264203 /nfs/dbraw/zinc/26/42/03/172264203.db2.gz APRRUOFGGGJOMD-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C(C)(C)C ZINC000035558749 172264021 /nfs/dbraw/zinc/26/40/21/172264021.db2.gz XGQFMYHSFRCMLD-LBPRGKRZSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)C(C)(C)C ZINC000035558752 172264527 /nfs/dbraw/zinc/26/45/27/172264527.db2.gz XGQFMYHSFRCMLD-GFCCVEGCSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H](C)CC ZINC000035558933 172264362 /nfs/dbraw/zinc/26/43/62/172264362.db2.gz SYBFQPKFNOZLRS-RNCFNFMXSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H](C)CC ZINC000035558936 172264111 /nfs/dbraw/zinc/26/41/11/172264111.db2.gz SYBFQPKFNOZLRS-ZANVPECISA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H](C)CC ZINC000035558939 172264577 /nfs/dbraw/zinc/26/45/77/172264577.db2.gz SYBFQPKFNOZLRS-NOZJJQNGSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H](C)CC ZINC000035558942 172264616 /nfs/dbraw/zinc/26/46/16/172264616.db2.gz SYBFQPKFNOZLRS-TVQRCGJNSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](CC(C)C)c1cc(Cl)ccc1Cl ZINC000035558994 172264543 /nfs/dbraw/zinc/26/45/43/172264543.db2.gz NZNISIPXICALJL-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@H](CC(C)C)c1cc(Cl)ccc1Cl ZINC000035558997 172264093 /nfs/dbraw/zinc/26/40/93/172264093.db2.gz NZNISIPXICALJL-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000035559087 172264519 /nfs/dbraw/zinc/26/45/19/172264519.db2.gz CVKGOAHUERSDPW-CQSZACIVSA-N 1 0 272.219 4.834 10 0 CJAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000035559090 172264063 /nfs/dbraw/zinc/26/40/63/172264063.db2.gz CVKGOAHUERSDPW-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000035559104 172264078 /nfs/dbraw/zinc/26/40/78/172264078.db2.gz ZPXJTGMQDDVOOI-JTQLQIEISA-N 1 0 286.124 4.596 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000035559107 172264461 /nfs/dbraw/zinc/26/44/61/172264461.db2.gz ZPXJTGMQDDVOOI-SNVBAGLBSA-N 1 0 286.124 4.596 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1cc(Cl)sc1Cl ZINC000035559194 172264304 /nfs/dbraw/zinc/26/43/04/172264304.db2.gz GEABFCZTIZDCDS-JTQLQIEISA-N 1 0 292.256 4.815 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1cc(Cl)sc1Cl ZINC000035559197 172264692 /nfs/dbraw/zinc/26/46/92/172264692.db2.gz GEABFCZTIZDCDS-SNVBAGLBSA-N 1 0 292.256 4.815 10 0 CJAERO CC[NH2+][C@@H](c1cccs1)c1cc(Cl)sc1Cl ZINC000035559253 172264228 /nfs/dbraw/zinc/26/42/28/172264228.db2.gz IXQZJTJULWWEDE-SNVBAGLBSA-N 1 0 292.256 4.815 10 0 CJAERO CC[NH2+][C@H](c1cccs1)c1cc(Cl)sc1Cl ZINC000035559256 172264732 /nfs/dbraw/zinc/26/47/32/172264732.db2.gz IXQZJTJULWWEDE-JTQLQIEISA-N 1 0 292.256 4.815 10 0 CJAERO CC[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccccc1 ZINC000035559326 172264288 /nfs/dbraw/zinc/26/42/88/172264288.db2.gz GKTCWJFPDXIHNF-LBPRGKRZSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccccc1 ZINC000035559329 172264655 /nfs/dbraw/zinc/26/46/55/172264655.db2.gz GKTCWJFPDXIHNF-GFCCVEGCSA-N 1 0 286.227 4.754 10 0 CJAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)C1CCCC1 ZINC000035559836 172264277 /nfs/dbraw/zinc/26/42/77/172264277.db2.gz SCZRGBKERPPABO-LLVKDONJSA-N 1 0 278.248 4.896 10 0 CJAERO CC[NH2+][C@H](c1cc(Cl)sc1Cl)C1CCCC1 ZINC000035559839 172264050 /nfs/dbraw/zinc/26/40/50/172264050.db2.gz SCZRGBKERPPABO-NSHDSACASA-N 1 0 278.248 4.896 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(Cl)sc1Cl ZINC000035559854 172264426 /nfs/dbraw/zinc/26/44/26/172264426.db2.gz PWEKSOIPEASHSJ-LURJTMIESA-N 1 0 292.153 4.658 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(Cl)sc1Cl ZINC000035559857 172264803 /nfs/dbraw/zinc/26/48/03/172264803.db2.gz PWEKSOIPEASHSJ-ZCFIWIBFSA-N 1 0 292.153 4.658 10 0 CJAERO FC(F)(F)c1cc([C@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000035570810 172266533 /nfs/dbraw/zinc/26/65/33/172266533.db2.gz ZFVOGCUIGCWQJH-LLVKDONJSA-N 1 0 297.242 4.539 10 0 CJAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(C)c(C)c1 ZINC000035572736 172268781 /nfs/dbraw/zinc/26/87/81/172268781.db2.gz VRGDYEFSSGGFTK-INIZCTEOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(C)c(C)c1 ZINC000035572737 172268690 /nfs/dbraw/zinc/26/86/90/172268690.db2.gz VRGDYEFSSGGFTK-MRXNPFEDSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)c(C)c1 ZINC000035572738 172269265 /nfs/dbraw/zinc/26/92/65/172269265.db2.gz PDXMHYFZZUPACQ-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)c(C)c1 ZINC000035572739 172268932 /nfs/dbraw/zinc/26/89/32/172268932.db2.gz PDXMHYFZZUPACQ-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1sccc1C ZINC000035573020 172269356 /nfs/dbraw/zinc/26/93/56/172269356.db2.gz FMFVJNJWIROKHY-ZDUSSCGKSA-N 1 0 265.447 4.515 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1sccc1C ZINC000035573021 172269159 /nfs/dbraw/zinc/26/91/59/172269159.db2.gz FMFVJNJWIROKHY-CYBMUJFWSA-N 1 0 265.447 4.515 10 0 CJAERO CCC[NH2+]C(c1ccc(C)s1)c1ccc(C)s1 ZINC000035573022 172269302 /nfs/dbraw/zinc/26/93/02/172269302.db2.gz PDNZPAYPLHYPPA-UHFFFAOYSA-N 1 0 265.447 4.515 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035573023 172268904 /nfs/dbraw/zinc/26/89/04/172268904.db2.gz QBXOGPRADPOVCY-INIZCTEOSA-N 1 0 291.485 4.696 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035573024 172268889 /nfs/dbraw/zinc/26/88/89/172268889.db2.gz QBXOGPRADPOVCY-MRXNPFEDSA-N 1 0 291.485 4.696 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)s1 ZINC000035573045 172268715 /nfs/dbraw/zinc/26/87/15/172268715.db2.gz PSFRBCBTHOUHJX-HNNXBMFYSA-N 1 0 293.863 4.993 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035573061 172268774 /nfs/dbraw/zinc/26/87/74/172268774.db2.gz VBTDXQFLIGXJCN-HNNXBMFYSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035573062 172269359 /nfs/dbraw/zinc/26/93/59/172269359.db2.gz VBTDXQFLIGXJCN-OAHLLOKOSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(CC)cc1 ZINC000035573117 172268712 /nfs/dbraw/zinc/26/87/12/172268712.db2.gz NOPSNDNTBTYUEG-KRWDZBQOSA-N 1 0 273.445 4.708 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(CC)cc1 ZINC000035573118 172269155 /nfs/dbraw/zinc/26/91/55/172269155.db2.gz NOPSNDNTBTYUEG-QGZVFWFLSA-N 1 0 273.445 4.708 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1C)c1ccc(C)s1 ZINC000035573137 172269688 /nfs/dbraw/zinc/26/96/88/172269688.db2.gz LLMJORXWUNSNAQ-INIZCTEOSA-N 1 0 273.445 4.648 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1C)c1ccc(C)s1 ZINC000035573138 172269796 /nfs/dbraw/zinc/26/97/96/172269796.db2.gz LLMJORXWUNSNAQ-MRXNPFEDSA-N 1 0 273.445 4.648 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)s1 ZINC000035573141 172269993 /nfs/dbraw/zinc/26/99/93/172269993.db2.gz WCQPFCSLZYFCDK-HNNXBMFYSA-N 1 0 293.863 4.993 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)s1 ZINC000035573142 172269710 /nfs/dbraw/zinc/26/97/10/172269710.db2.gz WCQPFCSLZYFCDK-OAHLLOKOSA-N 1 0 293.863 4.993 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)cc(C)c1 ZINC000035573177 172269824 /nfs/dbraw/zinc/26/98/24/172269824.db2.gz CXBBGDCDGLPZHJ-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cc(C)cc(C)c1 ZINC000035573178 172269787 /nfs/dbraw/zinc/26/97/87/172269787.db2.gz CXBBGDCDGLPZHJ-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)C1CCCCC1 ZINC000035573185 172269575 /nfs/dbraw/zinc/26/95/75/172269575.db2.gz XTGKBAZKHCFYTI-OAHLLOKOSA-N 1 0 251.439 4.678 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)C1CCCCC1 ZINC000035573186 172269872 /nfs/dbraw/zinc/26/98/72/172269872.db2.gz XTGKBAZKHCFYTI-HNNXBMFYSA-N 1 0 251.439 4.678 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)c(F)c1 ZINC000035573195 172270024 /nfs/dbraw/zinc/27/00/24/172270024.db2.gz GKRHTLXYRWYAMT-INIZCTEOSA-N 1 0 277.408 4.593 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)c(F)c1 ZINC000035573196 172269959 /nfs/dbraw/zinc/26/99/59/172269959.db2.gz GKRHTLXYRWYAMT-MRXNPFEDSA-N 1 0 277.408 4.593 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cccc(C)c1C ZINC000035573217 172269662 /nfs/dbraw/zinc/26/96/62/172269662.db2.gz SNKZKPBOWWKBSC-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cccc(C)c1C ZINC000035573218 172269842 /nfs/dbraw/zinc/26/98/42/172269842.db2.gz SNKZKPBOWWKBSC-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035573223 172270053 /nfs/dbraw/zinc/27/00/53/172270053.db2.gz JEJFACFVAOMCBX-HNNXBMFYSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035573224 172269675 /nfs/dbraw/zinc/26/96/75/172269675.db2.gz JEJFACFVAOMCBX-OAHLLOKOSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)cc1C ZINC000035573233 172270100 /nfs/dbraw/zinc/27/01/00/172270100.db2.gz MXIVRSBUKBUICK-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)cc1C ZINC000035573234 172269648 /nfs/dbraw/zinc/26/96/48/172269648.db2.gz MXIVRSBUKBUICK-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035573239 172269828 /nfs/dbraw/zinc/26/98/28/172269828.db2.gz ZDEAYBFFHXNOQU-HNNXBMFYSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035573240 172269782 /nfs/dbraw/zinc/26/97/82/172269782.db2.gz ZDEAYBFFHXNOQU-OAHLLOKOSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H](C)CC ZINC000035573341 172269986 /nfs/dbraw/zinc/26/99/86/172269986.db2.gz KSVCSMYHANAGFC-MAUKXSAKSA-N 1 0 261.453 4.972 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@@H](C)CC ZINC000035573342 172269725 /nfs/dbraw/zinc/26/97/25/172269725.db2.gz KSVCSMYHANAGFC-YJBOKZPZSA-N 1 0 261.453 4.972 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@H](C)CC ZINC000035573343 172269582 /nfs/dbraw/zinc/26/95/82/172269582.db2.gz KSVCSMYHANAGFC-CRAIPNDOSA-N 1 0 261.453 4.972 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@H](C)CC ZINC000035573344 172270111 /nfs/dbraw/zinc/27/01/11/172270111.db2.gz KSVCSMYHANAGFC-QAPCUYQASA-N 1 0 261.453 4.972 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035573363 172269926 /nfs/dbraw/zinc/26/99/26/172269926.db2.gz FCOIBBQRBQEUAP-QGTPRVQTSA-N 1 0 259.437 4.582 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035573364 172269916 /nfs/dbraw/zinc/26/99/16/172269916.db2.gz FCOIBBQRBQEUAP-BMGDILEWSA-N 1 0 259.437 4.582 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035573365 172269699 /nfs/dbraw/zinc/26/96/99/172269699.db2.gz FCOIBBQRBQEUAP-WBAXXEDZSA-N 1 0 259.437 4.582 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC(C)C)cc1)[C@H]1C[C@@H]1C ZINC000035573366 172269821 /nfs/dbraw/zinc/26/98/21/172269821.db2.gz FCOIBBQRBQEUAP-JCGIZDLHSA-N 1 0 259.437 4.582 10 0 CJAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@@H](C)CC ZINC000035573417 172269742 /nfs/dbraw/zinc/26/97/42/172269742.db2.gz VPQSMKOGEAKWSJ-KBXCAEBGSA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@@H](C)CC ZINC000035573418 172270092 /nfs/dbraw/zinc/27/00/92/172270092.db2.gz VPQSMKOGEAKWSJ-KSSFIOAISA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@H](C)CC ZINC000035573419 172269908 /nfs/dbraw/zinc/26/99/08/172269908.db2.gz VPQSMKOGEAKWSJ-RDTXWAMCSA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)c1sccc1C ZINC000035573457 172270487 /nfs/dbraw/zinc/27/04/87/172270487.db2.gz YHIYWNYXXZFGDJ-AWEZNQCLSA-N 1 0 279.474 4.769 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1sccc1C ZINC000035573458 172270713 /nfs/dbraw/zinc/27/07/13/172270713.db2.gz YHIYWNYXXZFGDJ-CQSZACIVSA-N 1 0 279.474 4.769 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(CC)s1 ZINC000035573459 172270631 /nfs/dbraw/zinc/27/06/31/172270631.db2.gz CKTSKRKJXXWHND-HNNXBMFYSA-N 1 0 279.474 4.769 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1cc(C)oc1C ZINC000035573466 172270786 /nfs/dbraw/zinc/27/07/86/172270786.db2.gz NPMNWLGZWFDCPL-INIZCTEOSA-N 1 0 277.433 4.609 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(CC)s1 ZINC000035573515 172270678 /nfs/dbraw/zinc/27/06/78/172270678.db2.gz AYPBMDXEIHVCBC-AWEZNQCLSA-N 1 0 253.455 4.932 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1ccc(CC)s1 ZINC000035573516 172270638 /nfs/dbraw/zinc/27/06/38/172270638.db2.gz AYPBMDXEIHVCBC-CQSZACIVSA-N 1 0 253.455 4.932 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)[C@H](C)CCC ZINC000035573527 172270279 /nfs/dbraw/zinc/27/02/79/172270279.db2.gz QBLZZMFJRRKJKZ-DOMZBBRYSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)[C@@H](C)CCC ZINC000035573528 172270323 /nfs/dbraw/zinc/27/03/23/172270323.db2.gz QBLZZMFJRRKJKZ-WFASDCNBSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)[C@H](C)CCC ZINC000035573529 172270472 /nfs/dbraw/zinc/27/04/72/172270472.db2.gz QBLZZMFJRRKJKZ-IUODEOHRSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)[C@@H](C)CCC ZINC000035573530 172270540 /nfs/dbraw/zinc/27/05/40/172270540.db2.gz QBLZZMFJRRKJKZ-SWLSCSKDSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(CC)s1 ZINC000035573531 172270515 /nfs/dbraw/zinc/27/05/15/172270515.db2.gz JFKMSVBVUUHFHX-AWEZNQCLSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(CC)s1 ZINC000035573532 172270718 /nfs/dbraw/zinc/27/07/18/172270718.db2.gz JFKMSVBVUUHFHX-CQSZACIVSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(CC)s1 ZINC000035573593 172270438 /nfs/dbraw/zinc/27/04/38/172270438.db2.gz KWNCIFMGULFMRI-ZDUSSCGKSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(CC)s1 ZINC000035573594 172270523 /nfs/dbraw/zinc/27/05/23/172270523.db2.gz KWNCIFMGULFMRI-CYBMUJFWSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)C1CCCCC1 ZINC000035573603 172270501 /nfs/dbraw/zinc/27/05/01/172270501.db2.gz CPQIVTIZNBFVMO-MRXNPFEDSA-N 1 0 265.466 4.932 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)C1CCCCC1 ZINC000035573604 172270519 /nfs/dbraw/zinc/27/05/19/172270519.db2.gz CPQIVTIZNBFVMO-INIZCTEOSA-N 1 0 265.466 4.932 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1cccc(C)c1 ZINC000035573644 172270355 /nfs/dbraw/zinc/27/03/55/172270355.db2.gz GISOOWCZGRHQNA-KRWDZBQOSA-N 1 0 273.445 4.708 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)c1cccc(C)c1 ZINC000035573646 172270795 /nfs/dbraw/zinc/27/07/95/172270795.db2.gz GISOOWCZGRHQNA-QGZVFWFLSA-N 1 0 273.445 4.708 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1ccccc1C ZINC000035573695 172270547 /nfs/dbraw/zinc/27/05/47/172270547.db2.gz QFIQQQDSBQBQBH-KRWDZBQOSA-N 1 0 273.445 4.708 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)c1ccccc1C ZINC000035573697 172270565 /nfs/dbraw/zinc/27/05/65/172270565.db2.gz QFIQQQDSBQBQBH-QGZVFWFLSA-N 1 0 273.445 4.708 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)C1CCCC1 ZINC000035573699 172270715 /nfs/dbraw/zinc/27/07/15/172270715.db2.gz GIGNEJJOILRXHW-OAHLLOKOSA-N 1 0 251.439 4.541 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)C1CCCC1 ZINC000035573700 172270542 /nfs/dbraw/zinc/27/05/42/172270542.db2.gz GIGNEJJOILRXHW-HNNXBMFYSA-N 1 0 251.439 4.541 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)s1)C(CC)CC ZINC000035573742 172270733 /nfs/dbraw/zinc/27/07/33/172270733.db2.gz WZTVWNNXPWAXIR-OAHLLOKOSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CC)s1)C(CC)CC ZINC000035573744 172270580 /nfs/dbraw/zinc/27/05/80/172270580.db2.gz WZTVWNNXPWAXIR-HNNXBMFYSA-N 1 0 253.455 4.787 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(CC)s1 ZINC000035573761 172270719 /nfs/dbraw/zinc/27/07/19/172270719.db2.gz PZTGYQVRFAGJPN-INIZCTEOSA-N 1 0 273.445 4.594 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1)c1ccc(CC)s1 ZINC000035573763 172270755 /nfs/dbraw/zinc/27/07/55/172270755.db2.gz PZTGYQVRFAGJPN-MRXNPFEDSA-N 1 0 273.445 4.594 10 0 CJAERO CCCC[C@H]([NH2+]CCC)c1ccc(OC)c(Cl)c1 ZINC000035573882 172270462 /nfs/dbraw/zinc/27/04/62/172270462.db2.gz ZAILTFWMQKMOAH-AWEZNQCLSA-N 1 0 269.816 4.580 10 0 CJAERO CCCC[C@@H]([NH2+]CCC)c1ccc(OC)c(Cl)c1 ZINC000035573884 172270459 /nfs/dbraw/zinc/27/04/59/172270459.db2.gz ZAILTFWMQKMOAH-CQSZACIVSA-N 1 0 269.816 4.580 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035573950 172270309 /nfs/dbraw/zinc/27/03/09/172270309.db2.gz PGOSOJFXHCPKOU-HNNXBMFYSA-N 1 0 283.843 4.826 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035573952 172270729 /nfs/dbraw/zinc/27/07/29/172270729.db2.gz PGOSOJFXHCPKOU-OAHLLOKOSA-N 1 0 283.843 4.826 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000035573976 172270319 /nfs/dbraw/zinc/27/03/19/172270319.db2.gz IIARMNILYORRSP-AWEZNQCLSA-N 1 0 283.843 4.826 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000035573978 172270344 /nfs/dbraw/zinc/27/03/44/172270344.db2.gz IIARMNILYORRSP-CQSZACIVSA-N 1 0 283.843 4.826 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000035574039 172270480 /nfs/dbraw/zinc/27/04/80/172270480.db2.gz YCNFDJPIBLHLDP-MRXNPFEDSA-N 1 0 281.827 4.580 10 0 CJAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000035574041 172270441 /nfs/dbraw/zinc/27/04/41/172270441.db2.gz YCNFDJPIBLHLDP-INIZCTEOSA-N 1 0 281.827 4.580 10 0 CJAERO CCCC[C@H]([NH2+]CCC)c1ccc(Br)cc1 ZINC000035574143 172270289 /nfs/dbraw/zinc/27/02/89/172270289.db2.gz SZPCIXVIWQRLJB-AWEZNQCLSA-N 1 0 284.241 4.680 10 0 CJAERO CCCC[C@@H]([NH2+]CCC)c1ccc(Br)cc1 ZINC000035574145 172270635 /nfs/dbraw/zinc/27/06/35/172270635.db2.gz SZPCIXVIWQRLJB-CQSZACIVSA-N 1 0 284.241 4.680 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)C(C)(C)C ZINC000035574165 172270633 /nfs/dbraw/zinc/27/06/33/172270633.db2.gz WEIFNUUEHUUWKC-ZDUSSCGKSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)C(C)(C)C ZINC000035574167 172270341 /nfs/dbraw/zinc/27/03/41/172270341.db2.gz WEIFNUUEHUUWKC-CYBMUJFWSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H](C)CCC ZINC000035574201 172270622 /nfs/dbraw/zinc/27/06/22/172270622.db2.gz MQFKZOWXRBXEAX-DOMZBBRYSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H](C)CCC ZINC000035574203 172270570 /nfs/dbraw/zinc/27/05/70/172270570.db2.gz MQFKZOWXRBXEAX-WFASDCNBSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H](C)CCC ZINC000035574205 172270555 /nfs/dbraw/zinc/27/05/55/172270555.db2.gz MQFKZOWXRBXEAX-IUODEOHRSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H](C)CCC ZINC000035574207 172270527 /nfs/dbraw/zinc/27/05/27/172270527.db2.gz MQFKZOWXRBXEAX-SWLSCSKDSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(Br)cc1 ZINC000035574209 172270410 /nfs/dbraw/zinc/27/04/10/172270410.db2.gz HPAABPRBRBKHKE-HNNXBMFYSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(Br)cc1 ZINC000035574210 172270673 /nfs/dbraw/zinc/27/06/73/172270673.db2.gz HPAABPRBRBKHKE-OAHLLOKOSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H](C)CC ZINC000035574313 172270475 /nfs/dbraw/zinc/27/04/75/172270475.db2.gz GOXOPYFVXZMFTL-SMDDNHRTSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H](C)CC ZINC000035574316 172270529 /nfs/dbraw/zinc/27/05/29/172270529.db2.gz GOXOPYFVXZMFTL-FZMZJTMJSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H](C)CC ZINC000035574318 172270618 /nfs/dbraw/zinc/27/06/18/172270618.db2.gz GOXOPYFVXZMFTL-BXUZGUMPSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H](C)CC ZINC000035574320 172270389 /nfs/dbraw/zinc/27/03/89/172270389.db2.gz GOXOPYFVXZMFTL-RISCZKNCSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(Br)cc1 ZINC000035574332 172271155 /nfs/dbraw/zinc/27/11/55/172271155.db2.gz UFNQNIRDTFDGRA-AWEZNQCLSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(Br)cc1 ZINC000035574335 172271228 /nfs/dbraw/zinc/27/12/28/172271228.db2.gz UFNQNIRDTFDGRA-CQSZACIVSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(Br)cc1 ZINC000035574369 172271123 /nfs/dbraw/zinc/27/11/23/172271123.db2.gz TZZVAKUADFSDJD-AWEZNQCLSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@H](CC(C)C)c1ccc(Br)cc1 ZINC000035574371 172271444 /nfs/dbraw/zinc/27/14/44/172271444.db2.gz TZZVAKUADFSDJD-CQSZACIVSA-N 1 0 284.241 4.536 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCCC1 ZINC000035574453 172271162 /nfs/dbraw/zinc/27/11/62/172271162.db2.gz LMXWSVWCSVHFQK-OAHLLOKOSA-N 1 0 296.252 4.680 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCCC1 ZINC000035574456 172271379 /nfs/dbraw/zinc/27/13/79/172271379.db2.gz LMXWSVWCSVHFQK-HNNXBMFYSA-N 1 0 296.252 4.680 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)C(CC)CC ZINC000035574493 172271598 /nfs/dbraw/zinc/27/15/98/172271598.db2.gz AZOSJOKCBJNKLM-OAHLLOKOSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Br)cc1)C(CC)CC ZINC000035574495 172271356 /nfs/dbraw/zinc/27/13/56/172271356.db2.gz AZOSJOKCBJNKLM-HNNXBMFYSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000035574996 172271294 /nfs/dbraw/zinc/27/12/94/172271294.db2.gz AZTMEKCOVNNHIZ-INIZCTEOSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000035574998 172271089 /nfs/dbraw/zinc/27/10/89/172271089.db2.gz AZTMEKCOVNNHIZ-MRXNPFEDSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035575112 172271063 /nfs/dbraw/zinc/27/10/63/172271063.db2.gz YDICIDNHPKWHJO-AWEZNQCLSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035575114 172271287 /nfs/dbraw/zinc/27/12/87/172271287.db2.gz YDICIDNHPKWHJO-CQSZACIVSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)oc1C)c1ccc(Cl)cc1 ZINC000035575124 172271307 /nfs/dbraw/zinc/27/13/07/172271307.db2.gz ZYHKBMKUDVEYEB-INIZCTEOSA-N 1 0 277.795 4.639 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(Cl)cc1 ZINC000035575126 172271716 /nfs/dbraw/zinc/27/17/16/172271716.db2.gz ZYHKBMKUDVEYEB-MRXNPFEDSA-N 1 0 277.795 4.639 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(Cl)cc1 ZINC000035575202 172272183 /nfs/dbraw/zinc/27/21/83/172272183.db2.gz SITREUHPWPBYCR-HNNXBMFYSA-N 1 0 253.817 4.961 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1ccc(Cl)cc1 ZINC000035575203 172271790 /nfs/dbraw/zinc/27/17/90/172271790.db2.gz SITREUHPWPBYCR-OAHLLOKOSA-N 1 0 253.817 4.961 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H](C)CCC ZINC000035575221 172272261 /nfs/dbraw/zinc/27/22/61/172272261.db2.gz ICXPHYFVIBGOIS-DOMZBBRYSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H](C)CCC ZINC000035575222 172272242 /nfs/dbraw/zinc/27/22/42/172272242.db2.gz ICXPHYFVIBGOIS-WFASDCNBSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H](C)CCC ZINC000035575224 172271987 /nfs/dbraw/zinc/27/19/87/172271987.db2.gz ICXPHYFVIBGOIS-IUODEOHRSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H](C)CCC ZINC000035575226 172271767 /nfs/dbraw/zinc/27/17/67/172271767.db2.gz ICXPHYFVIBGOIS-SWLSCSKDSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000035575228 172271927 /nfs/dbraw/zinc/27/19/27/172271927.db2.gz NXFHIKMJXRGTSC-HNNXBMFYSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000035575230 172271709 /nfs/dbraw/zinc/27/17/09/172271709.db2.gz NXFHIKMJXRGTSC-OAHLLOKOSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000035575343 172272104 /nfs/dbraw/zinc/27/21/04/172272104.db2.gz LPGFTCVZJFKOEX-AWEZNQCLSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000035575345 172272175 /nfs/dbraw/zinc/27/21/75/172272175.db2.gz LPGFTCVZJFKOEX-CQSZACIVSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000035575363 172272169 /nfs/dbraw/zinc/27/21/69/172272169.db2.gz BYPPCMDHURUPNK-MRXNPFEDSA-N 1 0 265.828 4.961 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000035575364 172271725 /nfs/dbraw/zinc/27/17/25/172271725.db2.gz BYPPCMDHURUPNK-INIZCTEOSA-N 1 0 265.828 4.961 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1F ZINC000035575369 172271932 /nfs/dbraw/zinc/27/19/32/172271932.db2.gz LEPKQBZRFSSEGW-INIZCTEOSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1F ZINC000035575370 172272018 /nfs/dbraw/zinc/27/20/18/172272018.db2.gz LEPKQBZRFSSEGW-MRXNPFEDSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1C ZINC000035575441 172271867 /nfs/dbraw/zinc/27/18/67/172271867.db2.gz HTOVOCVYXBGOMG-KRWDZBQOSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1C ZINC000035575443 172271963 /nfs/dbraw/zinc/27/19/63/172271963.db2.gz HTOVOCVYXBGOMG-QGZVFWFLSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000035575444 172272068 /nfs/dbraw/zinc/27/20/68/172272068.db2.gz ICFLXGRMBIJZSK-OAHLLOKOSA-N 1 0 251.801 4.571 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000035575446 172272093 /nfs/dbraw/zinc/27/20/93/172272093.db2.gz ICFLXGRMBIJZSK-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)C(CC)CC ZINC000035575489 172271855 /nfs/dbraw/zinc/27/18/55/172271855.db2.gz RDNPKIXHOCKLKF-OAHLLOKOSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)C(CC)CC ZINC000035575492 172272131 /nfs/dbraw/zinc/27/21/31/172272131.db2.gz RDNPKIXHOCKLKF-HNNXBMFYSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035575649 172271834 /nfs/dbraw/zinc/27/18/34/172271834.db2.gz JMWNETLROGEXHS-KRWDZBQOSA-N 1 0 273.807 4.623 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035575652 172272041 /nfs/dbraw/zinc/27/20/41/172272041.db2.gz JMWNETLROGEXHS-QGZVFWFLSA-N 1 0 273.807 4.623 10 0 CJAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035575958 172273248 /nfs/dbraw/zinc/27/32/48/172273248.db2.gz KTZOGAVIJUSYNX-INIZCTEOSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035575961 172272858 /nfs/dbraw/zinc/27/28/58/172272858.db2.gz KTZOGAVIJUSYNX-MRXNPFEDSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000035576891 172273480 /nfs/dbraw/zinc/27/34/80/172273480.db2.gz BTKAALXHQITJRW-KRWDZBQOSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000035576894 172273831 /nfs/dbraw/zinc/27/38/31/172273831.db2.gz BTKAALXHQITJRW-QGZVFWFLSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035577298 172273647 /nfs/dbraw/zinc/27/36/47/172273647.db2.gz RKROXYFIHWZOJB-KRWDZBQOSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035577301 172273486 /nfs/dbraw/zinc/27/34/86/172273486.db2.gz RKROXYFIHWZOJB-QGZVFWFLSA-N 1 0 273.807 4.737 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(OCC)cc1 ZINC000035577551 172273394 /nfs/dbraw/zinc/27/33/94/172273394.db2.gz HCOXHWDLELMNJM-KRWDZBQOSA-N 1 0 263.425 4.706 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1ccc(OCC)cc1 ZINC000035577553 172273790 /nfs/dbraw/zinc/27/37/90/172273790.db2.gz HCOXHWDLELMNJM-QGZVFWFLSA-N 1 0 263.425 4.706 10 0 CJAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@H](C)CCC ZINC000035577575 172273932 /nfs/dbraw/zinc/27/39/32/172273932.db2.gz YGHSOWYMSXEEEM-PBHICJAKSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H](C)CCC ZINC000035577578 172274589 /nfs/dbraw/zinc/27/45/89/172274589.db2.gz YGHSOWYMSXEEEM-YOEHRIQHSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H](C)CCC ZINC000035577581 172274299 /nfs/dbraw/zinc/27/42/99/172274299.db2.gz YGHSOWYMSXEEEM-RHSMWYFYSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H](C)CCC ZINC000035577584 172274225 /nfs/dbraw/zinc/27/42/25/172274225.db2.gz YGHSOWYMSXEEEM-WMLDXEAASA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(OCC)cc1 ZINC000035577624 172274206 /nfs/dbraw/zinc/27/42/06/172274206.db2.gz GNEGEWNEKZETCO-INIZCTEOSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(OCC)cc1 ZINC000035577627 172274257 /nfs/dbraw/zinc/27/42/57/172274257.db2.gz GNEGEWNEKZETCO-MRXNPFEDSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)C(CC)CC ZINC000035577721 172274265 /nfs/dbraw/zinc/27/42/65/172274265.db2.gz IXCBHUPWGKHCGF-QGZVFWFLSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)C(CC)CC ZINC000035577724 172274419 /nfs/dbraw/zinc/27/44/19/172274419.db2.gz IXCBHUPWGKHCGF-KRWDZBQOSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(C)cc1C ZINC000035579413 172274868 /nfs/dbraw/zinc/27/48/68/172274868.db2.gz ZIKKWJFEFYEOJZ-INIZCTEOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(C)cc1C ZINC000035579415 172275125 /nfs/dbraw/zinc/27/51/25/172275125.db2.gz ZIKKWJFEFYEOJZ-MRXNPFEDSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)cc1C)C1CCCCC1 ZINC000035579630 172275612 /nfs/dbraw/zinc/27/56/12/172275612.db2.gz SFDMRZDZBSWSRU-GOSISDBHSA-N 1 0 259.437 4.924 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)cc1C)C1CCCCC1 ZINC000035579632 172275559 /nfs/dbraw/zinc/27/55/59/172275559.db2.gz SFDMRZDZBSWSRU-SFHVURJKSA-N 1 0 259.437 4.924 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1cc(F)ccc1F ZINC000035580139 172276047 /nfs/dbraw/zinc/27/60/47/172276047.db2.gz QGIWAPRQFRPSDC-HNNXBMFYSA-N 1 0 255.352 4.586 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1cc(F)ccc1F ZINC000035580141 172275528 /nfs/dbraw/zinc/27/55/28/172275528.db2.gz QGIWAPRQFRPSDC-OAHLLOKOSA-N 1 0 255.352 4.586 10 0 CJAERO CCC[NH2+][C@@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@@H]1C ZINC000035580714 172276166 /nfs/dbraw/zinc/27/61/66/172276166.db2.gz FXUKVDIQHYXGKM-ZZCKCESHSA-N 1 0 259.437 4.897 10 0 CJAERO CCC[NH2+][C@H](c1ccc([C@@H](C)CC)cc1)[C@@H]1C[C@@H]1C ZINC000035580716 172276475 /nfs/dbraw/zinc/27/64/75/172276475.db2.gz FXUKVDIQHYXGKM-LBTBCDHLSA-N 1 0 259.437 4.897 10 0 CJAERO CCC[NH2+][C@H](c1ccc([C@H](C)CC)cc1)[C@@H]1C[C@@H]1C ZINC000035580720 172276546 /nfs/dbraw/zinc/27/65/46/172276546.db2.gz FXUKVDIQHYXGKM-LTCOOKNTSA-N 1 0 259.437 4.897 10 0 CJAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H](C)CCC ZINC000035580850 172276389 /nfs/dbraw/zinc/27/63/89/172276389.db2.gz SHEMIXYCAJQKFD-BMIGLBTASA-N 1 0 273.342 4.581 10 0 CJAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@@H](C)CCC ZINC000035580851 172276341 /nfs/dbraw/zinc/27/63/41/172276341.db2.gz SHEMIXYCAJQKFD-BONVTDFDSA-N 1 0 273.342 4.581 10 0 CJAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H](C)CCC ZINC000035580853 172276396 /nfs/dbraw/zinc/27/63/96/172276396.db2.gz SHEMIXYCAJQKFD-MEBBXXQBSA-N 1 0 273.342 4.581 10 0 CJAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H](C)CCC ZINC000035580855 172276587 /nfs/dbraw/zinc/27/65/87/172276587.db2.gz SHEMIXYCAJQKFD-ZUZCIYMTSA-N 1 0 273.342 4.581 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1c(F)cc(F)cc1F ZINC000035580857 172276206 /nfs/dbraw/zinc/27/62/06/172276206.db2.gz GPPIFCYBBGFYSP-AWEZNQCLSA-N 1 0 273.342 4.581 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1c(F)cc(F)cc1F ZINC000035580858 172276406 /nfs/dbraw/zinc/27/64/06/172276406.db2.gz GPPIFCYBBGFYSP-CQSZACIVSA-N 1 0 273.342 4.581 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cccs1 ZINC000035581106 172277452 /nfs/dbraw/zinc/27/74/52/172277452.db2.gz FKLIYFTXPKASFA-AWEZNQCLSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccs1 ZINC000035581107 172277462 /nfs/dbraw/zinc/27/74/62/172277462.db2.gz FKLIYFTXPKASFA-CQSZACIVSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@@H](CC1CCCCC1)c1cccs1 ZINC000035581157 172277364 /nfs/dbraw/zinc/27/73/64/172277364.db2.gz OFTCLODGQAXUAZ-AWEZNQCLSA-N 1 0 251.439 4.759 10 0 CJAERO CCC[NH2+][C@H](CC1CCCCC1)c1cccs1 ZINC000035581158 172276939 /nfs/dbraw/zinc/27/69/39/172276939.db2.gz OFTCLODGQAXUAZ-CQSZACIVSA-N 1 0 251.439 4.759 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035581191 172277401 /nfs/dbraw/zinc/27/74/01/172277401.db2.gz BVMOGARBSVXJJA-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035581192 172277279 /nfs/dbraw/zinc/27/72/79/172277279.db2.gz BVMOGARBSVXJJA-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035581195 172277204 /nfs/dbraw/zinc/27/72/04/172277204.db2.gz PIFLQKXZSHEXAA-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035581196 172277157 /nfs/dbraw/zinc/27/71/57/172277157.db2.gz PIFLQKXZSHEXAA-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000035581207 172277406 /nfs/dbraw/zinc/27/74/06/172277406.db2.gz SNPXONMTDTUXEV-AWEZNQCLSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000035581208 172277543 /nfs/dbraw/zinc/27/75/43/172277543.db2.gz SNPXONMTDTUXEV-CQSZACIVSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1c(C)cc(C)cc1C ZINC000035581223 172277042 /nfs/dbraw/zinc/27/70/42/172277042.db2.gz LDLHIMRMHVWDAM-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1c(C)cc(C)cc1C ZINC000035581224 172277467 /nfs/dbraw/zinc/27/74/67/172277467.db2.gz LDLHIMRMHVWDAM-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035581241 172277387 /nfs/dbraw/zinc/27/73/87/172277387.db2.gz SQLILZGOQFGMSD-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035581242 172277414 /nfs/dbraw/zinc/27/74/14/172277414.db2.gz SQLILZGOQFGMSD-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1c(F)cccc1Cl ZINC000035581335 172278024 /nfs/dbraw/zinc/27/80/24/172278024.db2.gz OMMNTUSZINYQLU-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1c(F)cccc1Cl ZINC000035581336 172277992 /nfs/dbraw/zinc/27/79/92/172277992.db2.gz OMMNTUSZINYQLU-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@H](c1sccc1C)c1cc(C)ccc1C ZINC000035581539 172277732 /nfs/dbraw/zinc/27/77/32/172277732.db2.gz GIUCOTGOPWMJSQ-INIZCTEOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1sccc1C)c1cc(C)ccc1C ZINC000035581540 172277698 /nfs/dbraw/zinc/27/76/98/172277698.db2.gz GIUCOTGOPWMJSQ-MRXNPFEDSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)C1CCC1 ZINC000035581860 172278746 /nfs/dbraw/zinc/27/87/46/172278746.db2.gz WBNSJBFDNNNSKZ-GOSISDBHSA-N 1 0 259.437 4.761 10 0 CJAERO CCC[NH2+][C@H](c1c(C)c(C)cc(C)c1C)C1CCC1 ZINC000035581861 172278772 /nfs/dbraw/zinc/27/87/72/172278772.db2.gz WBNSJBFDNNNSKZ-SFHVURJKSA-N 1 0 259.437 4.761 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(F)cc1F ZINC000035581928 172278591 /nfs/dbraw/zinc/27/85/91/172278591.db2.gz UQZCYDIZIJJCFG-HNNXBMFYSA-N 1 0 255.352 4.586 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1ccc(F)cc1F ZINC000035581929 172278560 /nfs/dbraw/zinc/27/85/60/172278560.db2.gz UQZCYDIZIJJCFG-OAHLLOKOSA-N 1 0 255.352 4.586 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000035581991 172279337 /nfs/dbraw/zinc/27/93/37/172279337.db2.gz PJPJVFUVQKDCII-MRXNPFEDSA-N 1 0 267.363 4.586 10 0 CJAERO CCC[NH2+][C@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000035581992 172279445 /nfs/dbraw/zinc/27/94/45/172279445.db2.gz PJPJVFUVQKDCII-INIZCTEOSA-N 1 0 267.363 4.586 10 0 CJAERO CCC[NH2+][C@@H](c1c(C)cc(C)cc1C)C1CCCC1 ZINC000035582145 172279450 /nfs/dbraw/zinc/27/94/50/172279450.db2.gz QPDJDUOINXLMCM-GOSISDBHSA-N 1 0 259.437 4.843 10 0 CJAERO CCC[NH2+][C@H](c1c(C)cc(C)cc1C)C1CCCC1 ZINC000035582146 172279305 /nfs/dbraw/zinc/27/93/05/172279305.db2.gz QPDJDUOINXLMCM-SFHVURJKSA-N 1 0 259.437 4.843 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000035582295 172279273 /nfs/dbraw/zinc/27/92/73/172279273.db2.gz VVQOGDXWFPBIMR-QGZVFWFLSA-N 1 0 259.437 4.825 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000035582296 172279718 /nfs/dbraw/zinc/27/97/18/172279718.db2.gz VVQOGDXWFPBIMR-KRWDZBQOSA-N 1 0 259.437 4.825 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1ccc(F)c(F)c1 ZINC000035582402 172279907 /nfs/dbraw/zinc/27/99/07/172279907.db2.gz MQWTYZXFEFQGRZ-HNNXBMFYSA-N 1 0 255.352 4.586 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1ccc(F)c(F)c1 ZINC000035582403 172280250 /nfs/dbraw/zinc/28/02/50/172280250.db2.gz MQWTYZXFEFQGRZ-OAHLLOKOSA-N 1 0 255.352 4.586 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CCC)cc1)C1CCCC1 ZINC000035582880 172281267 /nfs/dbraw/zinc/28/12/67/172281267.db2.gz JPKAHNBHBZOMBD-GOSISDBHSA-N 1 0 259.437 4.870 10 0 CJAERO CCC[NH2+][C@H](c1ccc(CCC)cc1)C1CCCC1 ZINC000035582881 172281227 /nfs/dbraw/zinc/28/12/27/172281227.db2.gz JPKAHNBHBZOMBD-SFHVURJKSA-N 1 0 259.437 4.870 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1ccc2c(c1)CCC2 ZINC000035583088 172281256 /nfs/dbraw/zinc/28/12/56/172281256.db2.gz JDNLVIWPQOUFSV-SFHVURJKSA-N 1 0 259.437 4.796 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1ccc2c(c1)CCC2 ZINC000035583089 172281023 /nfs/dbraw/zinc/28/10/23/172281023.db2.gz JDNLVIWPQOUFSV-GOSISDBHSA-N 1 0 259.437 4.796 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000035583116 172280916 /nfs/dbraw/zinc/28/09/16/172280916.db2.gz BEFUVXILWRHBFT-KRWDZBQOSA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000035583117 172281075 /nfs/dbraw/zinc/28/10/75/172281075.db2.gz BEFUVXILWRHBFT-QGZVFWFLSA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)C(CC)CC ZINC000035583152 172280940 /nfs/dbraw/zinc/28/09/40/172280940.db2.gz RNRNIJPXECIUAO-GOSISDBHSA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)C(CC)CC ZINC000035583153 172281063 /nfs/dbraw/zinc/28/10/63/172281063.db2.gz RNRNIJPXECIUAO-SFHVURJKSA-N 1 0 259.437 4.652 10 0 CJAERO CCC[NH2+][C@@H](c1ccsc1)c1cc(C)sc1C ZINC000035583219 172281434 /nfs/dbraw/zinc/28/14/34/172281434.db2.gz OTIPGKATRFYJLJ-AWEZNQCLSA-N 1 0 265.447 4.515 10 0 CJAERO CCC[NH2+][C@H](c1ccsc1)c1cc(C)sc1C ZINC000035583220 172281574 /nfs/dbraw/zinc/28/15/74/172281574.db2.gz OTIPGKATRFYJLJ-CQSZACIVSA-N 1 0 265.447 4.515 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1sccc1C ZINC000035583225 172282052 /nfs/dbraw/zinc/28/20/52/172282052.db2.gz AFZYTEUDRXXWIQ-AWEZNQCLSA-N 1 0 279.474 4.824 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1sccc1C ZINC000035583226 172281421 /nfs/dbraw/zinc/28/14/21/172281421.db2.gz AFZYTEUDRXXWIQ-CQSZACIVSA-N 1 0 279.474 4.824 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)sc1C ZINC000035583227 172282048 /nfs/dbraw/zinc/28/20/48/172282048.db2.gz IORSKGDXFXHDHL-OAHLLOKOSA-N 1 0 279.474 4.824 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cc(C)sc1C ZINC000035583228 172281640 /nfs/dbraw/zinc/28/16/40/172281640.db2.gz IORSKGDXFXHDHL-HNNXBMFYSA-N 1 0 279.474 4.824 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1cc(C)sc1C ZINC000035583248 172282054 /nfs/dbraw/zinc/28/20/54/172282054.db2.gz BDJUTJCMESAIER-CQSZACIVSA-N 1 0 265.447 4.515 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1cc(C)sc1C ZINC000035583249 172281635 /nfs/dbraw/zinc/28/16/35/172281635.db2.gz BDJUTJCMESAIER-AWEZNQCLSA-N 1 0 265.447 4.515 10 0 CJAERO CCCCC[C@H]([NH2+]CCC)c1cc(C)sc1C ZINC000035583289 172281993 /nfs/dbraw/zinc/28/19/93/172281993.db2.gz LFVWCHQBJFBZFZ-HNNXBMFYSA-N 1 0 253.455 4.986 10 0 CJAERO CCCCC[C@@H]([NH2+]CCC)c1cc(C)sc1C ZINC000035583290 172281907 /nfs/dbraw/zinc/28/19/07/172281907.db2.gz LFVWCHQBJFBZFZ-OAHLLOKOSA-N 1 0 253.455 4.986 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)[C@H](C)CCC ZINC000035583301 172281505 /nfs/dbraw/zinc/28/15/05/172281505.db2.gz YSBIUKGNWLQORY-ABAIWWIYSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)[C@@H](C)CCC ZINC000035583302 172281602 /nfs/dbraw/zinc/28/16/02/172281602.db2.gz YSBIUKGNWLQORY-NHYWBVRUSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)[C@H](C)CCC ZINC000035583303 172281962 /nfs/dbraw/zinc/28/19/62/172281962.db2.gz YSBIUKGNWLQORY-IAQYHMDHSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)[C@@H](C)CCC ZINC000035583304 172281800 /nfs/dbraw/zinc/28/18/00/172281800.db2.gz YSBIUKGNWLQORY-XHDPSFHLSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1cc(C)sc1C ZINC000035583305 172281587 /nfs/dbraw/zinc/28/15/87/172281587.db2.gz ZAILHSHQNXWYBF-HNNXBMFYSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1cc(C)sc1C ZINC000035583306 172281449 /nfs/dbraw/zinc/28/14/49/172281449.db2.gz ZAILHSHQNXWYBF-OAHLLOKOSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1cc(C)sc1C ZINC000035583367 172281833 /nfs/dbraw/zinc/28/18/33/172281833.db2.gz DFVOBPGMWJHONU-AWEZNQCLSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1cc(C)sc1C ZINC000035583368 172281930 /nfs/dbraw/zinc/28/19/30/172281930.db2.gz DFVOBPGMWJHONU-CQSZACIVSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)C1CCCCC1 ZINC000035583379 172282128 /nfs/dbraw/zinc/28/21/28/172282128.db2.gz BRNBBWOAOPPQEM-MRXNPFEDSA-N 1 0 265.466 4.986 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)C1CCCCC1 ZINC000035583380 172281546 /nfs/dbraw/zinc/28/15/46/172281546.db2.gz BRNBBWOAOPPQEM-INIZCTEOSA-N 1 0 265.466 4.986 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1cccc(F)c1 ZINC000035583393 172281729 /nfs/dbraw/zinc/28/17/29/172281729.db2.gz OMZIFTIGDLYIBV-INIZCTEOSA-N 1 0 277.408 4.593 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1cccc(F)c1 ZINC000035583394 172281589 /nfs/dbraw/zinc/28/15/89/172281589.db2.gz OMZIFTIGDLYIBV-MRXNPFEDSA-N 1 0 277.408 4.593 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1cccc(C)c1 ZINC000035583403 172282116 /nfs/dbraw/zinc/28/21/16/172282116.db2.gz XQDBGXOUXIAXPP-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1cccc(C)c1 ZINC000035583404 172282122 /nfs/dbraw/zinc/28/21/22/172282122.db2.gz XQDBGXOUXIAXPP-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)C1CCCC1 ZINC000035583432 172281669 /nfs/dbraw/zinc/28/16/69/172281669.db2.gz SXDLLSZIPZVZDI-OAHLLOKOSA-N 1 0 251.439 4.596 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)C1CCCC1 ZINC000035583433 172281760 /nfs/dbraw/zinc/28/17/60/172281760.db2.gz SXDLLSZIPZVZDI-HNNXBMFYSA-N 1 0 251.439 4.596 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1ccc(C)cc1 ZINC000035583446 172281858 /nfs/dbraw/zinc/28/18/58/172281858.db2.gz SJFSKMBADUTOIU-KRWDZBQOSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(C)cc1 ZINC000035583447 172281734 /nfs/dbraw/zinc/28/17/34/172281734.db2.gz SJFSKMBADUTOIU-QGZVFWFLSA-N 1 0 273.445 4.762 10 0 CJAERO CCC[NH2+][C@@H](c1cc(C)sc1C)C(CC)CC ZINC000035583454 172281586 /nfs/dbraw/zinc/28/15/86/172281586.db2.gz XNFYSARRPFWBME-OAHLLOKOSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)sc1C)C(CC)CC ZINC000035583455 172282065 /nfs/dbraw/zinc/28/20/65/172282065.db2.gz XNFYSARRPFWBME-HNNXBMFYSA-N 1 0 253.455 4.842 10 0 CJAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(Cl)s1 ZINC000035583476 172281717 /nfs/dbraw/zinc/28/17/17/172281717.db2.gz VNBFOLLGYYSEFD-LBPRGKRZSA-N 1 0 271.838 4.552 10 0 CJAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(Cl)s1 ZINC000035583477 172281680 /nfs/dbraw/zinc/28/16/80/172281680.db2.gz VNBFOLLGYYSEFD-GFCCVEGCSA-N 1 0 271.838 4.552 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1sccc1C ZINC000035583482 172281519 /nfs/dbraw/zinc/28/15/19/172281519.db2.gz FYNYHHSYSSXWRO-LBPRGKRZSA-N 1 0 285.865 4.860 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1sccc1C ZINC000035583483 172281468 /nfs/dbraw/zinc/28/14/68/172281468.db2.gz FYNYHHSYSSXWRO-GFCCVEGCSA-N 1 0 285.865 4.860 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)s1 ZINC000035583484 172281809 /nfs/dbraw/zinc/28/18/09/172281809.db2.gz IAGPBZXOKCNFRT-ZDUSSCGKSA-N 1 0 285.865 4.860 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)s1 ZINC000035583485 172281409 /nfs/dbraw/zinc/28/14/09/172281409.db2.gz IAGPBZXOKCNFRT-CYBMUJFWSA-N 1 0 285.865 4.860 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035583490 172282087 /nfs/dbraw/zinc/28/20/87/172282087.db2.gz LLBFFERKYBPCTI-CQSZACIVSA-N 1 0 283.824 4.700 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035583491 172281651 /nfs/dbraw/zinc/28/16/51/172281651.db2.gz LLBFFERKYBPCTI-AWEZNQCLSA-N 1 0 283.824 4.700 10 0 CJAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000035583498 172281945 /nfs/dbraw/zinc/28/19/45/172281945.db2.gz JRWZLVNEQKPZFP-LBPRGKRZSA-N 1 0 271.838 4.552 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)c1ccc(Cl)s1 ZINC000035583499 172281932 /nfs/dbraw/zinc/28/19/32/172281932.db2.gz JRWZLVNEQKPZFP-GFCCVEGCSA-N 1 0 271.838 4.552 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)[C@H](C)CCC ZINC000035583560 172281515 /nfs/dbraw/zinc/28/15/15/172281515.db2.gz UNZGCGXRHUHFQR-MFKMUULPSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)[C@@H](C)CCC ZINC000035583561 172281868 /nfs/dbraw/zinc/28/18/68/172281868.db2.gz UNZGCGXRHUHFQR-GWCFXTLKSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)[C@H](C)CCC ZINC000035583562 172281991 /nfs/dbraw/zinc/28/19/91/172281991.db2.gz UNZGCGXRHUHFQR-ZWNOBZJWSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H](C)CCC ZINC000035583563 172281593 /nfs/dbraw/zinc/28/15/93/172281593.db2.gz UNZGCGXRHUHFQR-GXFFZTMASA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(Cl)s1 ZINC000035583564 172281784 /nfs/dbraw/zinc/28/17/84/172281784.db2.gz JIMLBJGWFPLUFI-NSHDSACASA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(Cl)s1 ZINC000035583565 172281672 /nfs/dbraw/zinc/28/16/72/172281672.db2.gz JIMLBJGWFPLUFI-LLVKDONJSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035583606 172281804 /nfs/dbraw/zinc/28/18/04/172281804.db2.gz FFCRSLDNJVVELR-ZDUSSCGKSA-N 1 0 297.826 4.824 10 0 CJAERO CCC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035583607 172281723 /nfs/dbraw/zinc/28/17/23/172281723.db2.gz FFCRSLDNJVVELR-CYBMUJFWSA-N 1 0 297.826 4.824 10 0 CJAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)s1 ZINC000035583636 172281887 /nfs/dbraw/zinc/28/18/87/172281887.db2.gz GBWXYONYYCVHOK-JTQLQIEISA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)s1 ZINC000035583637 172281914 /nfs/dbraw/zinc/28/19/14/172281914.db2.gz GBWXYONYYCVHOK-SNVBAGLBSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035583652 172281706 /nfs/dbraw/zinc/28/17/06/172281706.db2.gz VRZOCXKNCPADHE-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035583653 172282040 /nfs/dbraw/zinc/28/20/40/172282040.db2.gz VRZOCXKNCPADHE-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035583658 172281755 /nfs/dbraw/zinc/28/17/55/172281755.db2.gz XIKBWBLOTUBECZ-HNNXBMFYSA-N 1 0 297.826 4.938 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035583659 172281779 /nfs/dbraw/zinc/28/17/79/172281779.db2.gz XIKBWBLOTUBECZ-OAHLLOKOSA-N 1 0 297.826 4.938 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035583662 172282044 /nfs/dbraw/zinc/28/20/44/172282044.db2.gz HDHUCGFRERTKOR-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035583663 172281788 /nfs/dbraw/zinc/28/17/88/172281788.db2.gz HDHUCGFRERTKOR-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035583676 172282878 /nfs/dbraw/zinc/28/28/78/172282878.db2.gz NLBHMOIMLSQSOH-HNNXBMFYSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035583677 172282482 /nfs/dbraw/zinc/28/24/82/172282482.db2.gz NLBHMOIMLSQSOH-OAHLLOKOSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035583690 172282430 /nfs/dbraw/zinc/28/24/30/172282430.db2.gz KHSWXIGYXFJQBK-AWEZNQCLSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035583691 172282765 /nfs/dbraw/zinc/28/27/65/172282765.db2.gz KHSWXIGYXFJQBK-CQSZACIVSA-N 1 0 283.799 4.630 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1F)c1ccc(Cl)s1 ZINC000035583694 172282545 /nfs/dbraw/zinc/28/25/45/172282545.db2.gz SOVKLSDTFPLFKO-ZDUSSCGKSA-N 1 0 297.826 4.824 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1F)c1ccc(Cl)s1 ZINC000035583695 172282738 /nfs/dbraw/zinc/28/27/38/172282738.db2.gz SOVKLSDTFPLFKO-CYBMUJFWSA-N 1 0 297.826 4.824 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035583710 172282321 /nfs/dbraw/zinc/28/23/21/172282321.db2.gz CIRCCRZVUYHXAU-HNNXBMFYSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035583711 172282366 /nfs/dbraw/zinc/28/23/66/172282366.db2.gz CIRCCRZVUYHXAU-OAHLLOKOSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)C1CCCC1 ZINC000035583712 172282522 /nfs/dbraw/zinc/28/25/22/172282522.db2.gz YPJHPYMSVZKFQQ-CYBMUJFWSA-N 1 0 257.830 4.632 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)C1CCCC1 ZINC000035583713 172282477 /nfs/dbraw/zinc/28/24/77/172282477.db2.gz YPJHPYMSVZKFQQ-ZDUSSCGKSA-N 1 0 257.830 4.632 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035583728 172282502 /nfs/dbraw/zinc/28/25/02/172282502.db2.gz CRZRQOKBRCGOGB-HNNXBMFYSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035583729 172282492 /nfs/dbraw/zinc/28/24/92/172282492.db2.gz CRZRQOKBRCGOGB-OAHLLOKOSA-N 1 0 279.836 4.799 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)C(CC)CC ZINC000035583738 172282534 /nfs/dbraw/zinc/28/25/34/172282534.db2.gz LHFGSXHVFHYWLB-CYBMUJFWSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)C(CC)CC ZINC000035583739 172282846 /nfs/dbraw/zinc/28/28/46/172282846.db2.gz LHFGSXHVFHYWLB-ZDUSSCGKSA-N 1 0 259.846 4.878 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000035583750 172282632 /nfs/dbraw/zinc/28/26/32/172282632.db2.gz FXFGCIFKDJJMJG-ZDUSSCGKSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000035583751 172282823 /nfs/dbraw/zinc/28/28/23/172282823.db2.gz FXFGCIFKDJJMJG-CYBMUJFWSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C(C)(C)C ZINC000035583790 172282855 /nfs/dbraw/zinc/28/28/55/172282855.db2.gz ZTZAOYIQHBQCOP-INIZCTEOSA-N 1 0 263.425 4.561 10 0 CJAERO CCC[NH2+][C@H](c1ccc(OC(C)C)cc1)C(C)(C)C ZINC000035583791 172282393 /nfs/dbraw/zinc/28/23/93/172282393.db2.gz ZTZAOYIQHBQCOP-MRXNPFEDSA-N 1 0 263.425 4.561 10 0 CJAERO CCC[NH2+][C@@H](c1ccco1)c1csc2ccccc12 ZINC000035583964 172282804 /nfs/dbraw/zinc/28/28/04/172282804.db2.gz NBTIIBJGBHICBS-MRXNPFEDSA-N 1 0 271.385 4.583 10 0 CJAERO CCC[NH2+][C@H](c1ccco1)c1csc2ccccc12 ZINC000035583965 172282539 /nfs/dbraw/zinc/28/25/39/172282539.db2.gz NBTIIBJGBHICBS-INIZCTEOSA-N 1 0 271.385 4.583 10 0 CJAERO CCC[NH2+][C@@H](c1csc2ccccc12)C(C)(C)C ZINC000035584000 172282474 /nfs/dbraw/zinc/28/24/74/172282474.db2.gz YSHYSIVFIMBBQN-HNNXBMFYSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@H](c1csc2ccccc12)C(C)(C)C ZINC000035584001 172282562 /nfs/dbraw/zinc/28/25/62/172282562.db2.gz YSHYSIVFIMBBQN-OAHLLOKOSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@@H](c1csc2ccccc12)[C@@H](C)CC ZINC000035584032 172282320 /nfs/dbraw/zinc/28/23/20/172282320.db2.gz AUQFDIKNGHYXLE-BLLLJJGKSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@H](c1csc2ccccc12)[C@@H](C)CC ZINC000035584033 172282871 /nfs/dbraw/zinc/28/28/71/172282871.db2.gz AUQFDIKNGHYXLE-LRDDRELGSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@@H](c1csc2ccccc12)[C@H](C)CC ZINC000035584034 172282381 /nfs/dbraw/zinc/28/23/81/172282381.db2.gz AUQFDIKNGHYXLE-MLGOLLRUSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@H](c1csc2ccccc21)[C@H](C)CC ZINC000035584035 172282309 /nfs/dbraw/zinc/28/23/09/172282309.db2.gz AUQFDIKNGHYXLE-WBMJQRKESA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@@H](CC(C)C)c1csc2ccccc21 ZINC000035584046 172283398 /nfs/dbraw/zinc/28/33/98/172283398.db2.gz YJDQXSAUOIHWFD-HNNXBMFYSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@H](CC(C)C)c1csc2ccccc21 ZINC000035584047 172283269 /nfs/dbraw/zinc/28/32/69/172283269.db2.gz YJDQXSAUOIHWFD-OAHLLOKOSA-N 1 0 261.434 4.988 10 0 CJAERO CCC[NH2+][C@@H](c1csc2ccccc12)C1CCC1 ZINC000035584070 172283532 /nfs/dbraw/zinc/28/35/32/172283532.db2.gz FDKJXOSPUVPKAQ-MRXNPFEDSA-N 1 0 259.418 4.742 10 0 CJAERO CCC[NH2+][C@H](c1csc2ccccc12)C1CCC1 ZINC000035584071 172283047 /nfs/dbraw/zinc/28/30/47/172283047.db2.gz FDKJXOSPUVPKAQ-INIZCTEOSA-N 1 0 259.418 4.742 10 0 CJAERO CCC[NH2+][C@@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C ZINC000035584074 172283265 /nfs/dbraw/zinc/28/32/65/172283265.db2.gz JJZUOVWQXGYPJN-NORZTCDRSA-N 1 0 259.418 4.598 10 0 CJAERO CCC[NH2+][C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C ZINC000035584075 172283127 /nfs/dbraw/zinc/28/31/27/172283127.db2.gz JJZUOVWQXGYPJN-GHJWDPDVSA-N 1 0 259.418 4.598 10 0 CJAERO CCC[NH2+][C@@H](c1csc2ccccc12)[C@H]1C[C@@H]1C ZINC000035584076 172283232 /nfs/dbraw/zinc/28/32/32/172283232.db2.gz JJZUOVWQXGYPJN-DETPVDSQSA-N 1 0 259.418 4.598 10 0 CJAERO CCC[NH2+][C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C ZINC000035584077 172283184 /nfs/dbraw/zinc/28/31/84/172283184.db2.gz JJZUOVWQXGYPJN-RBOXIYTFSA-N 1 0 259.418 4.598 10 0 CJAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035584793 172283847 /nfs/dbraw/zinc/28/38/47/172283847.db2.gz FLJYIMKOPWSRAW-HNNXBMFYSA-N 1 0 298.213 4.984 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035584794 172283941 /nfs/dbraw/zinc/28/39/41/172283941.db2.gz FLJYIMKOPWSRAW-OAHLLOKOSA-N 1 0 298.213 4.984 10 0 CJAERO CCC[NH2+][C@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035584797 172284059 /nfs/dbraw/zinc/28/40/59/172284059.db2.gz VRJCDJNTLWTPNR-AWEZNQCLSA-N 1 0 284.186 4.675 10 0 CJAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035584798 172284013 /nfs/dbraw/zinc/28/40/13/172284013.db2.gz VRJCDJNTLWTPNR-CQSZACIVSA-N 1 0 284.186 4.675 10 0 CJAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035584799 172283979 /nfs/dbraw/zinc/28/39/79/172283979.db2.gz PREYOAHYANDMHM-AWEZNQCLSA-N 1 0 284.186 4.675 10 0 CJAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035584800 172284218 /nfs/dbraw/zinc/28/42/18/172284218.db2.gz PREYOAHYANDMHM-CQSZACIVSA-N 1 0 284.186 4.675 10 0 CJAERO CCC[NH2+][C@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035584805 172284381 /nfs/dbraw/zinc/28/43/81/172284381.db2.gz CVEAHQLSHCBTHT-AWEZNQCLSA-N 1 0 298.213 4.984 10 0 CJAERO CCC[NH2+][C@@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035584806 172284070 /nfs/dbraw/zinc/28/40/70/172284070.db2.gz CVEAHQLSHCBTHT-CQSZACIVSA-N 1 0 298.213 4.984 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000035584835 172283961 /nfs/dbraw/zinc/28/39/61/172283961.db2.gz YMDYOQXXNIXNQH-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000035584836 172284016 /nfs/dbraw/zinc/28/40/16/172284016.db2.gz YMDYOQXXNIXNQH-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[NH2+][C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000035584837 172283945 /nfs/dbraw/zinc/28/39/45/172283945.db2.gz HAWIBTHJMYXDJK-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCC[NH2+][C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC000035584838 172284362 /nfs/dbraw/zinc/28/43/62/172284362.db2.gz HAWIBTHJMYXDJK-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000035584940 172284018 /nfs/dbraw/zinc/28/40/18/172284018.db2.gz NMUCJYKTNCWWCN-CQSZACIVSA-N 1 0 272.219 4.834 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000035584941 172284379 /nfs/dbraw/zinc/28/43/79/172284379.db2.gz NMUCJYKTNCWWCN-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035584946 172284129 /nfs/dbraw/zinc/28/41/29/172284129.db2.gz UCNIERYGOZXLEB-PXWWUCIGSA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035584947 172284252 /nfs/dbraw/zinc/28/42/52/172284252.db2.gz UCNIERYGOZXLEB-DRCTWCGVSA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035584948 172284082 /nfs/dbraw/zinc/28/40/82/172284082.db2.gz UCNIERYGOZXLEB-CHIMOYNISA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035584949 172283808 /nfs/dbraw/zinc/28/38/08/172283808.db2.gz UCNIERYGOZXLEB-NURSFMCSSA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035585024 172284930 /nfs/dbraw/zinc/28/49/30/172284930.db2.gz ACZUDVMKLOIRKE-AWEZNQCLSA-N 1 0 284.186 4.675 10 0 CJAERO CCC[NH2+][C@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035585025 172284767 /nfs/dbraw/zinc/28/47/67/172284767.db2.gz ACZUDVMKLOIRKE-CQSZACIVSA-N 1 0 284.186 4.675 10 0 CJAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C(C)C ZINC000035585060 172284468 /nfs/dbraw/zinc/28/44/68/172284468.db2.gz TWFWPBYWVRSFHG-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)C(C)C ZINC000035585061 172284846 /nfs/dbraw/zinc/28/48/46/172284846.db2.gz TWFWPBYWVRSFHG-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CCC[NH2+][C@@H](CCC)c1cc(Cl)ccc1Cl ZINC000035585062 172285030 /nfs/dbraw/zinc/28/50/30/172285030.db2.gz YFFJVRVVPDHEET-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCC[NH2+][C@H](CCC)c1cc(Cl)ccc1Cl ZINC000035585063 172284939 /nfs/dbraw/zinc/28/49/39/172284939.db2.gz YFFJVRVVPDHEET-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CCC1 ZINC000035585229 172284973 /nfs/dbraw/zinc/28/49/73/172284973.db2.gz DOGIFLNKQMGOKX-CQSZACIVSA-N 1 0 272.219 4.834 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CCC1 ZINC000035585231 172285076 /nfs/dbraw/zinc/28/50/76/172285076.db2.gz DOGIFLNKQMGOKX-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]1C ZINC000035585241 172284561 /nfs/dbraw/zinc/28/45/61/172284561.db2.gz YTSLXMPVGOXBHY-DRCTWCGVSA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]1C ZINC000035585242 172284649 /nfs/dbraw/zinc/28/46/49/172284649.db2.gz YTSLXMPVGOXBHY-PXWWUCIGSA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1C[C@@H]1C ZINC000035585244 172284615 /nfs/dbraw/zinc/28/46/15/172284615.db2.gz YTSLXMPVGOXBHY-NURSFMCSSA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1C[C@@H]1C ZINC000035585245 172284528 /nfs/dbraw/zinc/28/45/28/172284528.db2.gz YTSLXMPVGOXBHY-CHIMOYNISA-N 1 0 272.219 4.690 10 0 CJAERO CCC[NH2+][C@@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000035585602 172284686 /nfs/dbraw/zinc/28/46/86/172284686.db2.gz KDKUAPJNEFJADA-LLVKDONJSA-N 1 0 278.248 4.896 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000035585604 172284654 /nfs/dbraw/zinc/28/46/54/172284654.db2.gz KDKUAPJNEFJADA-NSHDSACASA-N 1 0 278.248 4.896 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@@H]1C[C@@H]1C ZINC000035585619 172284440 /nfs/dbraw/zinc/28/44/40/172284440.db2.gz QWVGGDBSILVIEG-RNSXUZJQSA-N 1 0 278.248 4.752 10 0 CJAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@H]1C[C@@H]1C ZINC000035585623 172284793 /nfs/dbraw/zinc/28/47/93/172284793.db2.gz QWVGGDBSILVIEG-LAEOZQHASA-N 1 0 278.248 4.752 10 0 CJAERO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000035624804 172305013 /nfs/dbraw/zinc/30/50/13/172305013.db2.gz HRNBDESSHDCYKT-RNCFNFMXSA-N 1 0 260.208 4.833 10 0 CJAERO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000035624806 172304686 /nfs/dbraw/zinc/30/46/86/172304686.db2.gz HRNBDESSHDCYKT-ZANVPECISA-N 1 0 260.208 4.833 10 0 CJAERO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000035624808 172305042 /nfs/dbraw/zinc/30/50/42/172305042.db2.gz HRNBDESSHDCYKT-NOZJJQNGSA-N 1 0 260.208 4.833 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(Cl)cc1Cl ZINC000035624810 172304715 /nfs/dbraw/zinc/30/47/15/172304715.db2.gz HRNBDESSHDCYKT-TVQRCGJNSA-N 1 0 260.208 4.833 10 0 CJAERO CC[C@H]([NH2+]CC(C)C)c1ccc(Cl)cc1Cl ZINC000035624812 172304963 /nfs/dbraw/zinc/30/49/63/172304963.db2.gz JZUOUWFJRWGYRN-ZDUSSCGKSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@@H]([NH2+]CC(C)C)c1ccc(Cl)cc1Cl ZINC000035624814 172304660 /nfs/dbraw/zinc/30/46/60/172304660.db2.gz JZUOUWFJRWGYRN-CYBMUJFWSA-N 1 0 260.208 4.690 10 0 CJAERO CC[C@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1Cl ZINC000035624816 172305076 /nfs/dbraw/zinc/30/50/76/172305076.db2.gz VFIGMHQHCZCWFR-AWEZNQCLSA-N 1 0 272.219 4.977 10 0 CJAERO CC[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1Cl ZINC000035624818 172304884 /nfs/dbraw/zinc/30/48/84/172304884.db2.gz VFIGMHQHCZCWFR-CQSZACIVSA-N 1 0 272.219 4.977 10 0 CJAERO CCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000035624902 172305159 /nfs/dbraw/zinc/30/51/59/172305159.db2.gz VVWAYPZUFQQBKD-ZDUSSCGKSA-N 1 0 260.208 4.834 10 0 CJAERO CCCC[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000035624904 172304887 /nfs/dbraw/zinc/30/48/87/172304887.db2.gz VVWAYPZUFQQBKD-CYBMUJFWSA-N 1 0 260.208 4.834 10 0 CJAERO C=COCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000035625403 172304860 /nfs/dbraw/zinc/30/48/60/172304860.db2.gz AJUPBEOTJLMUNR-AWEZNQCLSA-N 1 0 288.218 4.584 10 0 CJAERO C=COCCC[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000035625405 172305128 /nfs/dbraw/zinc/30/51/28/172305128.db2.gz AJUPBEOTJLMUNR-CQSZACIVSA-N 1 0 288.218 4.584 10 0 CJAERO CC[C@H]([NH2+]CC1CCC1)c1ccc(Cl)cc1Cl ZINC000035625543 172304988 /nfs/dbraw/zinc/30/49/88/172304988.db2.gz SPVMWDMTPSDELR-AWEZNQCLSA-N 1 0 272.219 4.834 10 0 CJAERO Cc1ccc(OCc2ccc(C(C)C)cc2)c([C@H](C)[NH3+])c1 ZINC000035629269 172308730 /nfs/dbraw/zinc/30/87/30/172308730.db2.gz AUWCLRKPNKROPT-HNNXBMFYSA-N 1 0 283.415 4.717 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1cc(C)ccc1C ZINC000035630492 172311581 /nfs/dbraw/zinc/31/15/81/172311581.db2.gz ZCLGJTCNONSKMD-GOSISDBHSA-N 1 0 279.383 4.715 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1cc(C)ccc1C ZINC000035630493 172311466 /nfs/dbraw/zinc/31/14/66/172311466.db2.gz ZCLGJTCNONSKMD-SFHVURJKSA-N 1 0 279.383 4.715 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1ccc(C)cc1C ZINC000035630496 172311329 /nfs/dbraw/zinc/31/13/29/172311329.db2.gz QOLHYAHHSCMZGR-SFHVURJKSA-N 1 0 279.383 4.715 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1ccc(C)cc1C ZINC000035630497 172311812 /nfs/dbraw/zinc/31/18/12/172311812.db2.gz QOLHYAHHSCMZGR-GOSISDBHSA-N 1 0 279.383 4.715 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2oc3ccc(C)cc3c2C)cc1 ZINC000035630500 172311818 /nfs/dbraw/zinc/31/18/18/172311818.db2.gz BMUBRGTUGULLBE-SFHVURJKSA-N 1 0 279.383 4.660 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2oc3ccc(C)cc3c2C)cc1 ZINC000035630501 172311508 /nfs/dbraw/zinc/31/15/08/172311508.db2.gz BMUBRGTUGULLBE-GOSISDBHSA-N 1 0 279.383 4.660 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000035630508 172311307 /nfs/dbraw/zinc/31/13/07/172311307.db2.gz WQXKODHBJFNAEO-GOSISDBHSA-N 1 0 279.383 4.715 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000035630509 172311369 /nfs/dbraw/zinc/31/13/69/172311369.db2.gz WQXKODHBJFNAEO-SFHVURJKSA-N 1 0 279.383 4.715 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000035630544 172312357 /nfs/dbraw/zinc/31/23/57/172312357.db2.gz BDPJMELUVVFGFI-MRXNPFEDSA-N 1 0 285.774 4.751 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000035630545 172312053 /nfs/dbraw/zinc/31/20/53/172312053.db2.gz BDPJMELUVVFGFI-INIZCTEOSA-N 1 0 285.774 4.751 10 0 CJAERO CCCCCOc1ccc2ccccc2c1C[NH2+]CCC ZINC000035630681 172312129 /nfs/dbraw/zinc/31/21/29/172312129.db2.gz CHRDWEXHGRNMCQ-UHFFFAOYSA-N 1 0 285.431 4.908 10 0 CJAERO CCCCOc1ccc2ccccc2c1C[NH2+]CCC ZINC000035630682 172312179 /nfs/dbraw/zinc/31/21/79/172312179.db2.gz FGBJZXNXJHUGIB-UHFFFAOYSA-N 1 0 271.404 4.518 10 0 CJAERO CCC[NH2+]Cc1c(OCCC(C)C)ccc2ccccc21 ZINC000035630683 172312418 /nfs/dbraw/zinc/31/24/18/172312418.db2.gz VRLKSMJZSQFPBV-UHFFFAOYSA-N 1 0 285.431 4.764 10 0 CJAERO CCC[NH2+]Cc1c(O[C@@H](C)CC)ccc2ccccc21 ZINC000035630686 172312258 /nfs/dbraw/zinc/31/22/58/172312258.db2.gz GTZYRIFCUHXQAC-AWEZNQCLSA-N 1 0 271.404 4.517 10 0 CJAERO CCC[NH2+]Cc1c(O[C@H](C)CC)ccc2ccccc21 ZINC000035630687 172312084 /nfs/dbraw/zinc/31/20/84/172312084.db2.gz GTZYRIFCUHXQAC-CQSZACIVSA-N 1 0 271.404 4.517 10 0 CJAERO CCCCCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630698 172312155 /nfs/dbraw/zinc/31/21/55/172312155.db2.gz FNRFEIARROFAOY-UHFFFAOYSA-N 1 0 285.431 4.907 10 0 CJAERO CCCCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630699 172312328 /nfs/dbraw/zinc/31/23/28/172312328.db2.gz LWTFVXSBJOPMGX-UHFFFAOYSA-N 1 0 271.404 4.517 10 0 CJAERO CC(C)CCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630700 172311950 /nfs/dbraw/zinc/31/19/50/172311950.db2.gz DDCMSHMVQAXXTI-UHFFFAOYSA-N 1 0 285.431 4.763 10 0 CJAERO CC[C@@H](C)Oc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630703 172312289 /nfs/dbraw/zinc/31/22/89/172312289.db2.gz KRANNWMNAJZQTB-CQSZACIVSA-N 1 0 271.404 4.515 10 0 CJAERO CC[C@H](C)Oc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630704 172312466 /nfs/dbraw/zinc/31/24/66/172312466.db2.gz KRANNWMNAJZQTB-AWEZNQCLSA-N 1 0 271.404 4.515 10 0 CJAERO CCC[C@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1 ZINC000035661500 172339730 /nfs/dbraw/zinc/33/97/30/172339730.db2.gz RJSIHHMGRGHPLO-INIZCTEOSA-N 1 0 277.795 4.607 10 0 CJAERO CCC[C@@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1 ZINC000035661501 172339886 /nfs/dbraw/zinc/33/98/86/172339886.db2.gz RJSIHHMGRGHPLO-MRXNPFEDSA-N 1 0 277.795 4.607 10 0 CJAERO CCCCCCOc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661984 172340346 /nfs/dbraw/zinc/34/03/46/172340346.db2.gz RXXNFOTZTKRABC-UHFFFAOYSA-N 1 0 290.234 4.672 10 0 CJAERO CCCCCOc1c(Cl)cc(Cl)cc1C[NH2+]CC ZINC000035662032 172340613 /nfs/dbraw/zinc/34/06/13/172340613.db2.gz PMPRETACWAYRIU-UHFFFAOYSA-N 1 0 290.234 4.672 10 0 CJAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC(C)C ZINC000035662035 172340695 /nfs/dbraw/zinc/34/06/95/172340695.db2.gz DKKPIOQMHPBCQU-UHFFFAOYSA-N 1 0 290.234 4.528 10 0 CJAERO CCCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC ZINC000035662099 172340421 /nfs/dbraw/zinc/34/04/21/172340421.db2.gz IJQGMYLHNMWPKA-UHFFFAOYSA-N 1 0 290.234 4.672 10 0 CJAERO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(C)C ZINC000035662100 172340125 /nfs/dbraw/zinc/34/01/25/172340125.db2.gz RLZYCSBGBAXGKX-UHFFFAOYSA-N 1 0 290.234 4.528 10 0 CJAERO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)CC ZINC000035662132 172340245 /nfs/dbraw/zinc/34/02/45/172340245.db2.gz ISUOFPQKENSHSN-JTQLQIEISA-N 1 0 290.234 4.670 10 0 CJAERO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@H](C)CC ZINC000035662133 172340230 /nfs/dbraw/zinc/34/02/30/172340230.db2.gz ISUOFPQKENSHSN-SNVBAGLBSA-N 1 0 290.234 4.670 10 0 CJAERO [NH3+]Cc1ccc(Sc2cc(Cl)ccc2Cl)cc1 ZINC000035720053 172374940 /nfs/dbraw/zinc/37/49/40/172374940.db2.gz VTLDTMMAVYBLAL-UHFFFAOYSA-N 1 0 284.211 4.603 10 0 CJAERO [NH3+]Cc1ccccc1Sc1cc(Cl)ccc1Cl ZINC000035720060 172374685 /nfs/dbraw/zinc/37/46/85/172374685.db2.gz TUSCPTUJGIZFNZ-UHFFFAOYSA-N 1 0 284.211 4.603 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](SCC(C)C)C1 ZINC000035721890 172377557 /nfs/dbraw/zinc/37/75/57/172377557.db2.gz PKDFTHRUDDZROR-RBSFLKMASA-N 1 0 271.514 4.555 10 0 CJAERO CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](SCC(C)C)C1 ZINC000035721892 172377664 /nfs/dbraw/zinc/37/76/64/172377664.db2.gz PKDFTHRUDDZROR-RRFJBIMHSA-N 1 0 271.514 4.555 10 0 CJAERO CC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2cccs2)C1 ZINC000035722188 172377597 /nfs/dbraw/zinc/37/75/97/172377597.db2.gz ZNHANNLNPYOOQZ-JHJVBQTASA-N 1 0 283.506 4.630 10 0 CJAERO CC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2cccs2)C1 ZINC000035722190 172377333 /nfs/dbraw/zinc/37/73/33/172377333.db2.gz ZNHANNLNPYOOQZ-YNEHKIRRSA-N 1 0 283.506 4.630 10 0 CJAERO CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C[NH3+] ZINC000035722310 172378310 /nfs/dbraw/zinc/37/83/10/172378310.db2.gz YTDYRMXBPGDOJB-GBJTYRQASA-N 1 0 271.514 4.698 10 0 CJAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(Cl)cc2)C1 ZINC000035722540 172378193 /nfs/dbraw/zinc/37/81/93/172378193.db2.gz WUAWXIQBYCITFY-LALPHHSUSA-N 1 0 283.868 4.586 10 0 CJAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(Cl)cc2)C1 ZINC000035722542 172378023 /nfs/dbraw/zinc/37/80/23/172378023.db2.gz WUAWXIQBYCITFY-TYNCELHUSA-N 1 0 283.868 4.586 10 0 CJAERO [NH3+]Cc1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC000035723047 172378239 /nfs/dbraw/zinc/37/82/39/172378239.db2.gz SRVSCAMFJXPHBO-UHFFFAOYSA-N 1 0 298.238 4.744 10 0 CJAERO [NH3+]Cc1ccccc1CSc1cc(Cl)ccc1Cl ZINC000035723049 172378118 /nfs/dbraw/zinc/37/81/18/172378118.db2.gz CJCPELFCHKYITI-UHFFFAOYSA-N 1 0 298.238 4.744 10 0 CJAERO [NH3+]Cc1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC000035723050 172378370 /nfs/dbraw/zinc/37/83/70/172378370.db2.gz ADLLHPROELQKAT-UHFFFAOYSA-N 1 0 298.238 4.744 10 0 CJAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1cc(Cl)ccc1Cl ZINC000035723091 172378253 /nfs/dbraw/zinc/37/82/53/172378253.db2.gz MHKTYMYOVMTTBV-BXKDBHETSA-N 1 0 290.259 4.603 10 0 CJAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000035723093 172378285 /nfs/dbraw/zinc/37/82/85/172378285.db2.gz MHKTYMYOVMTTBV-SKDRFNHKSA-N 1 0 290.259 4.603 10 0 CJAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1cc(Cl)ccc1Cl ZINC000035723095 172378146 /nfs/dbraw/zinc/37/81/46/172378146.db2.gz MHKTYMYOVMTTBV-JOYOIKCWSA-N 1 0 290.259 4.603 10 0 CJAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000035723097 172378212 /nfs/dbraw/zinc/37/82/12/172378212.db2.gz MHKTYMYOVMTTBV-CABZTGNLSA-N 1 0 290.259 4.603 10 0 CJAERO CC(C)c1ccc(SCc2ccc(C[NH3+])cc2)cc1 ZINC000035723318 172378557 /nfs/dbraw/zinc/37/85/57/172378557.db2.gz ROVLEXVMFKVOBU-UHFFFAOYSA-N 1 0 271.429 4.561 10 0 CJAERO CC(C)c1ccc(S[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC000035723343 172378913 /nfs/dbraw/zinc/37/89/13/172378913.db2.gz KBKVUJNKIBWFQX-FRFSOERESA-N 1 0 277.477 4.666 10 0 CJAERO CC(C)c1ccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC000035723345 172378929 /nfs/dbraw/zinc/37/89/29/172378929.db2.gz KBKVUJNKIBWFQX-YSVLISHTSA-N 1 0 277.477 4.666 10 0 CJAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2Cl)C1 ZINC000035723411 172378482 /nfs/dbraw/zinc/37/84/82/172378482.db2.gz XKERYZFYLXEEPQ-LALPHHSUSA-N 1 0 283.868 4.586 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000035732737 172383805 /nfs/dbraw/zinc/38/38/05/172383805.db2.gz XLHCXKZEODGEAE-XPTSAGLGSA-N 1 0 272.219 4.833 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000035732738 172384008 /nfs/dbraw/zinc/38/40/08/172384008.db2.gz XLHCXKZEODGEAE-LKFCYVNXSA-N 1 0 272.219 4.833 10 0 CJAERO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000035732739 172384147 /nfs/dbraw/zinc/38/41/47/172384147.db2.gz XLHCXKZEODGEAE-OTYXRUKQSA-N 1 0 272.219 4.833 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000035732740 172383866 /nfs/dbraw/zinc/38/38/66/172383866.db2.gz XLHCXKZEODGEAE-YMTOWFKASA-N 1 0 272.219 4.833 10 0 CJAERO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000035732899 172384975 /nfs/dbraw/zinc/38/49/75/172384975.db2.gz STEGZVQRICYXCD-KSSFIOAISA-N 1 0 257.421 4.696 10 0 CJAERO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000035732900 172384539 /nfs/dbraw/zinc/38/45/39/172384539.db2.gz STEGZVQRICYXCD-KDOFPFPSSA-N 1 0 257.421 4.696 10 0 CJAERO C[C@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000035732901 172384761 /nfs/dbraw/zinc/38/47/61/172384761.db2.gz STEGZVQRICYXCD-KBXCAEBGSA-N 1 0 257.421 4.696 10 0 CJAERO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000035732902 172384529 /nfs/dbraw/zinc/38/45/29/172384529.db2.gz STEGZVQRICYXCD-RDTXWAMCSA-N 1 0 257.421 4.696 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000035732915 172385025 /nfs/dbraw/zinc/38/50/25/172385025.db2.gz NYQSUKJURZRODR-NHYWBVRUSA-N 1 0 251.801 4.569 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000035732916 172384423 /nfs/dbraw/zinc/38/44/23/172384423.db2.gz NYQSUKJURZRODR-XHDPSFHLSA-N 1 0 251.801 4.569 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000035732917 172384882 /nfs/dbraw/zinc/38/48/82/172384882.db2.gz NYQSUKJURZRODR-ABAIWWIYSA-N 1 0 251.801 4.569 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000035732918 172384801 /nfs/dbraw/zinc/38/48/01/172384801.db2.gz NYQSUKJURZRODR-IAQYHMDHSA-N 1 0 251.801 4.569 10 0 CJAERO CCc1ccc([C@@H](CC)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738468 172391302 /nfs/dbraw/zinc/39/13/02/172391302.db2.gz PGNOSBQVIALARC-XJKSGUPXSA-N 1 0 257.377 4.644 10 0 CJAERO CCc1ccc([C@H](CC)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738469 172391490 /nfs/dbraw/zinc/39/14/90/172391490.db2.gz PGNOSBQVIALARC-BBRMVZONSA-N 1 0 257.377 4.644 10 0 CJAERO CCc1ccc([C@@H](CC)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738470 172391754 /nfs/dbraw/zinc/39/17/54/172391754.db2.gz PGNOSBQVIALARC-CZUORRHYSA-N 1 0 257.377 4.644 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1C ZINC000035738666 172392357 /nfs/dbraw/zinc/39/23/57/172392357.db2.gz HUFFDXKHLNEMDC-CABCVRRESA-N 1 0 257.377 4.617 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1C ZINC000035738667 172392646 /nfs/dbraw/zinc/39/26/46/172392646.db2.gz HUFFDXKHLNEMDC-GJZGRUSLSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1C ZINC000035738668 172392499 /nfs/dbraw/zinc/39/24/99/172392499.db2.gz HUFFDXKHLNEMDC-HUUCEWRRSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccco2)cc1C ZINC000035738669 172392846 /nfs/dbraw/zinc/39/28/46/172392846.db2.gz HUFFDXKHLNEMDC-LSDHHAIUSA-N 1 0 257.377 4.617 10 0 CJAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738696 330250026 /nfs/dbraw/zinc/25/00/26/330250026.db2.gz XZYCVTDTNZPJCB-CABCVRRESA-N 1 0 287.403 4.726 10 0 CJAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738697 330250191 /nfs/dbraw/zinc/25/01/91/330250191.db2.gz XZYCVTDTNZPJCB-GJZGRUSLSA-N 1 0 287.403 4.726 10 0 CJAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738698 330250234 /nfs/dbraw/zinc/25/02/34/330250234.db2.gz XZYCVTDTNZPJCB-HUUCEWRRSA-N 1 0 287.403 4.726 10 0 CJAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738699 330250085 /nfs/dbraw/zinc/25/00/85/330250085.db2.gz XZYCVTDTNZPJCB-LSDHHAIUSA-N 1 0 287.403 4.726 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(OC(F)(F)F)cc1 ZINC000035738709 172392308 /nfs/dbraw/zinc/39/23/08/172392308.db2.gz SQEBNFHCSCADGU-MNOVXSKESA-N 1 0 299.292 4.590 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000035738711 330250101 /nfs/dbraw/zinc/25/01/01/330250101.db2.gz SQEBNFHCSCADGU-GHMZBOCLSA-N 1 0 299.292 4.590 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738736 172392736 /nfs/dbraw/zinc/39/27/36/172392736.db2.gz CGYCPMXDTZTZNP-KGLIPLIRSA-N 1 0 257.377 4.815 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738737 172392707 /nfs/dbraw/zinc/39/27/07/172392707.db2.gz CGYCPMXDTZTZNP-KBPBESRZSA-N 1 0 257.377 4.815 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738738 172392465 /nfs/dbraw/zinc/39/24/65/172392465.db2.gz CGYCPMXDTZTZNP-ZIAGYGMSSA-N 1 0 257.377 4.815 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738739 172392399 /nfs/dbraw/zinc/39/23/99/172392399.db2.gz CGYCPMXDTZTZNP-UONOGXRCSA-N 1 0 257.377 4.815 10 0 CJAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738811 172392710 /nfs/dbraw/zinc/39/27/10/172392710.db2.gz YQIBFGAJMGVKNU-KBPBESRZSA-N 1 0 257.377 4.644 10 0 CJAERO CCCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738812 172392747 /nfs/dbraw/zinc/39/27/47/172392747.db2.gz YQIBFGAJMGVKNU-ZIAGYGMSSA-N 1 0 257.377 4.644 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccco2)c(C)c1 ZINC000035738876 172392337 /nfs/dbraw/zinc/39/23/37/172392337.db2.gz OTDSDECQQCYKNQ-LSDHHAIUSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccco2)c(C)c1 ZINC000035738877 172392408 /nfs/dbraw/zinc/39/24/08/172392408.db2.gz OTDSDECQQCYKNQ-GJZGRUSLSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000035738878 172392649 /nfs/dbraw/zinc/39/26/49/172392649.db2.gz OTDSDECQQCYKNQ-HUUCEWRRSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccco2)c(C)c1 ZINC000035738879 172392766 /nfs/dbraw/zinc/39/27/66/172392766.db2.gz OTDSDECQQCYKNQ-CABCVRRESA-N 1 0 257.377 4.617 10 0 CJAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738888 172392517 /nfs/dbraw/zinc/39/25/17/172392517.db2.gz YDGSMFVFENNISB-CABCVRRESA-N 1 0 271.404 4.890 10 0 CJAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738889 172392619 /nfs/dbraw/zinc/39/26/19/172392619.db2.gz YDGSMFVFENNISB-GJZGRUSLSA-N 1 0 271.404 4.890 10 0 CJAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738890 172392589 /nfs/dbraw/zinc/39/25/89/172392589.db2.gz YDGSMFVFENNISB-HUUCEWRRSA-N 1 0 271.404 4.890 10 0 CJAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738891 330250049 /nfs/dbraw/zinc/25/00/49/330250049.db2.gz YDGSMFVFENNISB-LSDHHAIUSA-N 1 0 271.404 4.890 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000035738928 172392445 /nfs/dbraw/zinc/39/24/45/172392445.db2.gz KFQYSLKTKJKIFM-KBPBESRZSA-N 1 0 271.404 4.989 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000035738931 330250138 /nfs/dbraw/zinc/25/01/38/330250138.db2.gz KFQYSLKTKJKIFM-ZIAGYGMSSA-N 1 0 271.404 4.989 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccco1 ZINC000035739003 330250214 /nfs/dbraw/zinc/25/02/14/330250214.db2.gz GYPVCRZUHKSTCS-KBPBESRZSA-N 1 0 265.356 4.845 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc2ccccc2c1 ZINC000035739004 330250146 /nfs/dbraw/zinc/25/01/46/330250146.db2.gz GYPVCRZUHKSTCS-KGLIPLIRSA-N 1 0 265.356 4.845 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccco1 ZINC000035739005 330250132 /nfs/dbraw/zinc/25/01/32/330250132.db2.gz GYPVCRZUHKSTCS-UONOGXRCSA-N 1 0 265.356 4.845 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1ccco1 ZINC000035739006 330250247 /nfs/dbraw/zinc/25/02/47/330250247.db2.gz GYPVCRZUHKSTCS-ZIAGYGMSSA-N 1 0 265.356 4.845 10 0 CJAERO CC(C)[NH2+][C@@H]1CCSc2ccc(C(C)(C)C)cc21 ZINC000035760378 172398328 /nfs/dbraw/zinc/39/83/28/172398328.db2.gz OPRWSQCJPVOWGZ-CQSZACIVSA-N 1 0 263.450 4.519 10 0 CJAERO CC(C)[NH2+][C@H]1CCSc2ccc(C(C)(C)C)cc21 ZINC000035760379 172398789 /nfs/dbraw/zinc/39/87/89/172398789.db2.gz OPRWSQCJPVOWGZ-AWEZNQCLSA-N 1 0 263.450 4.519 10 0 CJAERO CC[NH2+][C@@H]1CCCSc2ccc(C(C)(C)C)cc21 ZINC000035760387 172398684 /nfs/dbraw/zinc/39/86/84/172398684.db2.gz UKMNNQMIYFSCGK-CQSZACIVSA-N 1 0 263.450 4.521 10 0 CJAERO CC[NH2+][C@H]1CCCSc2ccc(C(C)(C)C)cc21 ZINC000035760390 172398428 /nfs/dbraw/zinc/39/84/28/172398428.db2.gz UKMNNQMIYFSCGK-AWEZNQCLSA-N 1 0 263.450 4.521 10 0 CJAERO CC(C)[NH2+][C@@H]1CCCSc2ccc(C(C)(C)C)cc21 ZINC000035760393 172398691 /nfs/dbraw/zinc/39/86/91/172398691.db2.gz VJKDEMMCFKCQFW-OAHLLOKOSA-N 1 0 277.477 4.909 10 0 CJAERO CC(C)[NH2+][C@H]1CCCSc2ccc(C(C)(C)C)cc21 ZINC000035760395 172398551 /nfs/dbraw/zinc/39/85/51/172398551.db2.gz VJKDEMMCFKCQFW-HNNXBMFYSA-N 1 0 277.477 4.909 10 0 CJAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCCS2 ZINC000035760404 172398871 /nfs/dbraw/zinc/39/88/71/172398871.db2.gz WYGINCKTFODNLB-OAHLLOKOSA-N 1 0 275.461 4.663 10 0 CJAERO CC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCCS2 ZINC000035760407 172398541 /nfs/dbraw/zinc/39/85/41/172398541.db2.gz WYGINCKTFODNLB-HNNXBMFYSA-N 1 0 275.461 4.663 10 0 CJAERO CCC[NH2+][C@@H]1CCSc2ccc(C(C)(C)C)cc21 ZINC000035760410 172398468 /nfs/dbraw/zinc/39/84/68/172398468.db2.gz IJRXYXFUEWNILS-CQSZACIVSA-N 1 0 263.450 4.521 10 0 CJAERO CCC[NH2+][C@H]1CCSc2ccc(C(C)(C)C)cc21 ZINC000035760413 172398485 /nfs/dbraw/zinc/39/84/85/172398485.db2.gz IJRXYXFUEWNILS-AWEZNQCLSA-N 1 0 263.450 4.521 10 0 CJAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760470 172398841 /nfs/dbraw/zinc/39/88/41/172398841.db2.gz AUSGKSFRIOKBOV-SWLSCSKDSA-N 1 0 277.477 4.909 10 0 CJAERO CCC[NH2+][C@H]1C[C@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760473 172398701 /nfs/dbraw/zinc/39/87/01/172398701.db2.gz AUSGKSFRIOKBOV-WFASDCNBSA-N 1 0 277.477 4.909 10 0 CJAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760474 172398513 /nfs/dbraw/zinc/39/85/13/172398513.db2.gz AUSGKSFRIOKBOV-IUODEOHRSA-N 1 0 277.477 4.909 10 0 CJAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760477 172398782 /nfs/dbraw/zinc/39/87/82/172398782.db2.gz AUSGKSFRIOKBOV-DOMZBBRYSA-N 1 0 277.477 4.909 10 0 CJAERO CC[NH2+][C@@H]1C[C@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760479 172398850 /nfs/dbraw/zinc/39/88/50/172398850.db2.gz NCNWRSBTPDXKDC-SMDDNHRTSA-N 1 0 263.450 4.519 10 0 CJAERO CC[NH2+][C@H]1C[C@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760482 172398741 /nfs/dbraw/zinc/39/87/41/172398741.db2.gz NCNWRSBTPDXKDC-FZMZJTMJSA-N 1 0 263.450 4.519 10 0 CJAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760485 172398672 /nfs/dbraw/zinc/39/86/72/172398672.db2.gz NCNWRSBTPDXKDC-BXUZGUMPSA-N 1 0 263.450 4.519 10 0 CJAERO CC[NH2+][C@H]1C[C@@H](C)Sc2ccc(C(C)(C)C)cc21 ZINC000035760487 172398502 /nfs/dbraw/zinc/39/85/02/172398502.db2.gz NCNWRSBTPDXKDC-RISCZKNCSA-N 1 0 263.450 4.519 10 0 CJAERO CCC[NH2+][C@@H]1CCCSc2c(Cl)ccc(Cl)c21 ZINC000035761333 172399493 /nfs/dbraw/zinc/39/94/93/172399493.db2.gz KERRSTYIICZZHC-LLVKDONJSA-N 1 0 290.259 4.920 10 0 CJAERO CCC[NH2+][C@H]1CCCSc2c(Cl)ccc(Cl)c21 ZINC000035761337 172399259 /nfs/dbraw/zinc/39/92/59/172399259.db2.gz KERRSTYIICZZHC-NSHDSACASA-N 1 0 290.259 4.920 10 0 CJAERO CC(C)[NH2+][C@@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000035761373 172399383 /nfs/dbraw/zinc/39/93/83/172399383.db2.gz KMRDQOGLLNOQLA-SNVBAGLBSA-N 1 0 276.232 4.528 10 0 CJAERO CC(C)[NH2+][C@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000035761376 172399854 /nfs/dbraw/zinc/39/98/54/172399854.db2.gz KMRDQOGLLNOQLA-JTQLQIEISA-N 1 0 276.232 4.528 10 0 CJAERO CC[NH2+][C@@H]1CCCSc2c(Cl)ccc(Cl)c21 ZINC000035761385 172399641 /nfs/dbraw/zinc/39/96/41/172399641.db2.gz VHJCALBGTZBDCM-SNVBAGLBSA-N 1 0 276.232 4.530 10 0 CJAERO CC[NH2+][C@H]1CCCSc2c(Cl)ccc(Cl)c21 ZINC000035761387 172399757 /nfs/dbraw/zinc/39/97/57/172399757.db2.gz VHJCALBGTZBDCM-JTQLQIEISA-N 1 0 276.232 4.530 10 0 CJAERO CC(C)[NH2+][C@@H]1CCCSc2c(Cl)ccc(Cl)c21 ZINC000035761391 172399346 /nfs/dbraw/zinc/39/93/46/172399346.db2.gz PDGCTVPJCJYDBP-LLVKDONJSA-N 1 0 290.259 4.918 10 0 CJAERO CC(C)[NH2+][C@H]1CCCSc2c(Cl)ccc(Cl)c21 ZINC000035761393 172399817 /nfs/dbraw/zinc/39/98/17/172399817.db2.gz PDGCTVPJCJYDBP-NSHDSACASA-N 1 0 290.259 4.918 10 0 CJAERO Clc1ccc(Cl)c2c1SCCC[C@H]2[NH2+]C1CC1 ZINC000035761402 172399308 /nfs/dbraw/zinc/39/93/08/172399308.db2.gz GQAPUXDOXTYFHC-LLVKDONJSA-N 1 0 288.243 4.672 10 0 CJAERO Clc1ccc(Cl)c2c1SCCC[C@@H]2[NH2+]C1CC1 ZINC000035761403 172399504 /nfs/dbraw/zinc/39/95/04/172399504.db2.gz GQAPUXDOXTYFHC-NSHDSACASA-N 1 0 288.243 4.672 10 0 CJAERO CCC[NH2+][C@@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000035761406 172399742 /nfs/dbraw/zinc/39/97/42/172399742.db2.gz BFSNRFYGCHXNHU-SNVBAGLBSA-N 1 0 276.232 4.530 10 0 CJAERO CCC[NH2+][C@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000035761408 172399424 /nfs/dbraw/zinc/39/94/24/172399424.db2.gz BFSNRFYGCHXNHU-JTQLQIEISA-N 1 0 276.232 4.530 10 0 CJAERO CCC[NH2+][C@@H]1c2c(Cl)ccc(Cl)c2SC[C@@H]1C ZINC000035761421 172399207 /nfs/dbraw/zinc/39/92/07/172399207.db2.gz OMOPJBWFFUOJQJ-UFBFGSQYSA-N 1 0 290.259 4.776 10 0 CJAERO CCC[NH2+][C@H]1c2c(Cl)ccc(Cl)c2SC[C@@H]1C ZINC000035761423 172399246 /nfs/dbraw/zinc/39/92/46/172399246.db2.gz OMOPJBWFFUOJQJ-QPUJVOFHSA-N 1 0 290.259 4.776 10 0 CJAERO CCC[NH2+][C@@H]1c2c(Cl)ccc(Cl)c2SC[C@H]1C ZINC000035761425 172399118 /nfs/dbraw/zinc/39/91/18/172399118.db2.gz OMOPJBWFFUOJQJ-PELKAZGASA-N 1 0 290.259 4.776 10 0 CJAERO CCC[NH2+][C@H]1c2c(Cl)ccc(Cl)c2SC[C@H]1C ZINC000035761428 172399728 /nfs/dbraw/zinc/39/97/28/172399728.db2.gz OMOPJBWFFUOJQJ-PRHODGIISA-N 1 0 290.259 4.776 10 0 CJAERO C[C@@H]1C[C@H]([NH2+]C2CC2)c2c(Cl)ccc(Cl)c2S1 ZINC000035761451 172399676 /nfs/dbraw/zinc/39/96/76/172399676.db2.gz JVPSHWFKJMWJPX-HQJQHLMTSA-N 1 0 288.243 4.671 10 0 CJAERO C[C@H]1C[C@H]([NH2+]C2CC2)c2c(Cl)ccc(Cl)c2S1 ZINC000035761456 172399210 /nfs/dbraw/zinc/39/92/10/172399210.db2.gz JVPSHWFKJMWJPX-CPCISQLKSA-N 1 0 288.243 4.671 10 0 CJAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2c(Cl)ccc(Cl)c2S1 ZINC000035761459 172399138 /nfs/dbraw/zinc/39/91/38/172399138.db2.gz JVPSHWFKJMWJPX-RDDDGLTNSA-N 1 0 288.243 4.671 10 0 CJAERO C[C@H]1C[C@@H]([NH2+]C2CC2)c2c(Cl)ccc(Cl)c2S1 ZINC000035761461 172399722 /nfs/dbraw/zinc/39/97/22/172399722.db2.gz JVPSHWFKJMWJPX-WRWORJQWSA-N 1 0 288.243 4.671 10 0 CJAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761465 172399155 /nfs/dbraw/zinc/39/91/55/172399155.db2.gz FVWOBJFZMHPRKG-GZMMTYOYSA-N 1 0 290.259 4.918 10 0 CJAERO CCC[NH2+][C@H]1C[C@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761467 172399115 /nfs/dbraw/zinc/39/91/15/172399115.db2.gz FVWOBJFZMHPRKG-KWQFWETISA-N 1 0 290.259 4.918 10 0 CJAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761470 172399785 /nfs/dbraw/zinc/39/97/85/172399785.db2.gz FVWOBJFZMHPRKG-LDYMZIIASA-N 1 0 290.259 4.918 10 0 CJAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761471 172399379 /nfs/dbraw/zinc/39/93/79/172399379.db2.gz FVWOBJFZMHPRKG-KCJUWKMLSA-N 1 0 290.259 4.918 10 0 CJAERO CC[NH2+][C@@H]1C[C@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761475 172399797 /nfs/dbraw/zinc/39/97/97/172399797.db2.gz RMYNWOSLQGYJRL-OIBJUYFYSA-N 1 0 276.232 4.528 10 0 CJAERO CC[NH2+][C@H]1C[C@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761476 172399105 /nfs/dbraw/zinc/39/91/05/172399105.db2.gz RMYNWOSLQGYJRL-XVKPBYJWSA-N 1 0 276.232 4.528 10 0 CJAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761478 172399200 /nfs/dbraw/zinc/39/92/00/172399200.db2.gz RMYNWOSLQGYJRL-GMSGAONNSA-N 1 0 276.232 4.528 10 0 CJAERO CC[NH2+][C@H]1C[C@@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761481 172399802 /nfs/dbraw/zinc/39/98/02/172399802.db2.gz RMYNWOSLQGYJRL-XCBNKYQSSA-N 1 0 276.232 4.528 10 0 CJAERO CC(C)[NH2+][C@H]1C[C@@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761482 172399178 /nfs/dbraw/zinc/39/91/78/172399178.db2.gz UKACKHJMXRJJIA-KCJUWKMLSA-N 1 0 290.259 4.917 10 0 CJAERO CC(C)[NH2+][C@H]1C[C@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761484 172399451 /nfs/dbraw/zinc/39/94/51/172399451.db2.gz UKACKHJMXRJJIA-KWQFWETISA-N 1 0 290.259 4.917 10 0 CJAERO CC(C)[NH2+][C@@H]1C[C@@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761486 172399548 /nfs/dbraw/zinc/39/95/48/172399548.db2.gz UKACKHJMXRJJIA-LDYMZIIASA-N 1 0 290.259 4.917 10 0 CJAERO CC(C)[NH2+][C@@H]1C[C@H](C)Sc2c(Cl)ccc(Cl)c21 ZINC000035761488 172399339 /nfs/dbraw/zinc/39/93/39/172399339.db2.gz UKACKHJMXRJJIA-GZMMTYOYSA-N 1 0 290.259 4.917 10 0 CJAERO CCC[NH2+][C@H]1CCCSc2ccc(C(C)C)cc21 ZINC000035762334 172401784 /nfs/dbraw/zinc/40/17/84/172401784.db2.gz CSEIVNGBIWCUKL-HNNXBMFYSA-N 1 0 263.450 4.737 10 0 CJAERO CCC[NH2+][C@@H]1c2cc(C(C)C)ccc2SC[C@H]1C ZINC000035762365 172401321 /nfs/dbraw/zinc/40/13/21/172401321.db2.gz LCUNFRQFVMDBRH-WBMJQRKESA-N 1 0 263.450 4.593 10 0 CJAERO CCC[NH2+][C@H]1c2cc(C(C)C)ccc2SC[C@H]1C ZINC000035762366 172401969 /nfs/dbraw/zinc/40/19/69/172401969.db2.gz LCUNFRQFVMDBRH-MLGOLLRUSA-N 1 0 263.450 4.593 10 0 CJAERO CC(C)[NH2+][C@H]1C[C@@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762387 172402017 /nfs/dbraw/zinc/40/20/17/172402017.db2.gz LRIAYINHCKNVJL-DOMZBBRYSA-N 1 0 263.450 4.733 10 0 CJAERO CC(C)[NH2+][C@@H]1C[C@@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762389 172401443 /nfs/dbraw/zinc/40/14/43/172401443.db2.gz LRIAYINHCKNVJL-IUODEOHRSA-N 1 0 263.450 4.733 10 0 CJAERO CC(C)[NH2+][C@@H]1C[C@H](C)Sc2ccc(C(C)C)cc21 ZINC000035762390 172401448 /nfs/dbraw/zinc/40/14/48/172401448.db2.gz LRIAYINHCKNVJL-SWLSCSKDSA-N 1 0 263.450 4.733 10 0 CJAERO c1ccc(SCC[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000035940952 172425503 /nfs/dbraw/zinc/42/55/03/172425503.db2.gz DNTMILDAAXQKGN-SFHVURJKSA-N 1 0 283.440 4.520 10 0 CJAERO CCC(CC)C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000036325402 172609687 /nfs/dbraw/zinc/60/96/87/172609687.db2.gz XMAKBNLTQJIDSN-AWEZNQCLSA-N 1 0 263.425 4.561 10 0 CJAERO C[NH2+][C@@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000036430136 567003074 /nfs/dbraw/zinc/00/30/74/567003074.db2.gz SCPPXXMPTQHFGC-IBGZPJMESA-N 1 0 291.394 4.569 10 0 in-vitro CJAERO C[NH2+][C@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000036430137 567003060 /nfs/dbraw/zinc/00/30/60/567003060.db2.gz SCPPXXMPTQHFGC-LJQANCHMSA-N 1 0 291.394 4.569 10 0 in-vitro CJAERO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000036662985 172645215 /nfs/dbraw/zinc/64/52/15/172645215.db2.gz CKVSKDUOFLHCSE-LTIDMASMSA-N 1 0 253.474 4.862 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000036662986 172645596 /nfs/dbraw/zinc/64/55/96/172645596.db2.gz CKVSKDUOFLHCSE-LUKYLMHMSA-N 1 0 253.474 4.862 10 0 CJAERO [NH3+][C@@H](CCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000036683856 172653861 /nfs/dbraw/zinc/65/38/61/172653861.db2.gz XZZHZMAHGVJIPM-HNNXBMFYSA-N 1 0 280.198 4.626 10 0 CJAERO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000036792164 172710770 /nfs/dbraw/zinc/71/07/70/172710770.db2.gz RIYZBIASWDZLRV-CABCVRRESA-N 1 0 263.425 4.705 10 0 CJAERO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000036792165 172710980 /nfs/dbraw/zinc/71/09/80/172710980.db2.gz RIYZBIASWDZLRV-GJZGRUSLSA-N 1 0 263.425 4.705 10 0 CJAERO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000036792166 172710883 /nfs/dbraw/zinc/71/08/83/172710883.db2.gz RIYZBIASWDZLRV-HUUCEWRRSA-N 1 0 263.425 4.705 10 0 CJAERO CCCCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000036792331 172710485 /nfs/dbraw/zinc/71/04/85/172710485.db2.gz WDOBQRCMAWBCLY-LSDHHAIUSA-N 1 0 263.425 4.623 10 0 CJAERO CC1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000036842037 172746075 /nfs/dbraw/zinc/74/60/75/172746075.db2.gz QXQIBFJXIRMCBC-UHFFFAOYSA-N 1 0 277.839 4.754 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036842434 172746673 /nfs/dbraw/zinc/74/66/73/172746673.db2.gz FQKRRMPRXPRUEW-VWLISTAJSA-N 1 0 277.839 4.754 10 0 CJAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1cccs1 ZINC000036844182 330294195 /nfs/dbraw/zinc/29/41/95/330294195.db2.gz AEQOLGWBEGMNEK-ZOODHJKOSA-N 1 0 291.847 4.998 10 0 CJAERO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1cccs1 ZINC000036844186 330294243 /nfs/dbraw/zinc/29/42/43/330294243.db2.gz AEQOLGWBEGMNEK-NUYPLMSZSA-N 1 0 291.847 4.998 10 0 CJAERO Cc1cc([C@@H]([NH3+])C[C@@H](C)CC(C)(C)C)c(C)s1 ZINC000036889603 172784364 /nfs/dbraw/zinc/78/43/64/172784364.db2.gz OUTXBDPQXVSNSW-YGRLFVJLSA-N 1 0 253.455 4.827 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cccc(Cl)c1 ZINC000036921183 172804851 /nfs/dbraw/zinc/80/48/51/172804851.db2.gz RGGIQTNCJKJWCF-SWLSCSKDSA-N 1 0 283.843 4.584 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000036921647 172805147 /nfs/dbraw/zinc/80/51/47/172805147.db2.gz LGFVPWGRQSMJEN-KGLIPLIRSA-N 1 0 259.437 4.823 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C1(C)CC1 ZINC000036921648 172805151 /nfs/dbraw/zinc/80/51/51/172805151.db2.gz LGFVPWGRQSMJEN-UONOGXRCSA-N 1 0 259.437 4.823 10 0 CJAERO CCC[C@H](C)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000036921695 172805199 /nfs/dbraw/zinc/80/51/99/172805199.db2.gz JRZMKZFVXQQPBC-LSDHHAIUSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000036921697 172805378 /nfs/dbraw/zinc/80/53/78/172805378.db2.gz WYPFEFQCJWWTDV-ZNMIVQPWSA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000036921698 172805290 /nfs/dbraw/zinc/80/52/90/172805290.db2.gz WYPFEFQCJWWTDV-ILXRZTDVSA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000036921699 172805052 /nfs/dbraw/zinc/80/50/52/172805052.db2.gz WYPFEFQCJWWTDV-KKUMJFAQSA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000036921786 172805169 /nfs/dbraw/zinc/80/51/69/172805169.db2.gz MZLKJSPUMKCWCR-IINYFYTJSA-N 1 0 281.371 4.828 10 0 CJAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000036921923 172805337 /nfs/dbraw/zinc/80/53/37/172805337.db2.gz LMKUZGGLZLDZCV-OBJOEFQTSA-N 1 0 269.379 4.830 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccccc1 ZINC000036921997 330314068 /nfs/dbraw/zinc/31/40/68/330314068.db2.gz YZVPIESNKOPZIR-SJCJKPOMSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccccc1 ZINC000036921998 330313966 /nfs/dbraw/zinc/31/39/66/330313966.db2.gz YZVPIESNKOPZIR-YVEFUNNKSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccccc1 ZINC000036921999 330314012 /nfs/dbraw/zinc/31/40/12/330314012.db2.gz YZVPIESNKOPZIR-PXAZEXFGSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccccc1 ZINC000036922000 330313969 /nfs/dbraw/zinc/31/39/69/330313969.db2.gz YZVPIESNKOPZIR-SJKOYZFVSA-N 1 0 275.342 4.767 10 0 CJAERO CC(C)[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000036927686 172809673 /nfs/dbraw/zinc/80/96/73/172809673.db2.gz VWIVYKZBGIKSAT-KRWDZBQOSA-N 1 0 271.429 4.560 10 0 CJAERO CC(C)[C@H]([NH3+])c1ccc(-c2ccc(F)cc2Cl)s1 ZINC000036927738 172810257 /nfs/dbraw/zinc/81/02/57/172810257.db2.gz NETBABSRPHNYFB-AWEZNQCLSA-N 1 0 283.799 4.863 10 0 CJAERO CCC1CCC([NH2+][C@H](C)Cc2ccccc2Cl)CC1 ZINC000036936112 172815563 /nfs/dbraw/zinc/81/55/63/172815563.db2.gz RMELOHCRNMSRDD-VQCLRJIVSA-N 1 0 279.855 4.829 10 0 CJAERO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)c1ccccc1 ZINC000036936739 172815874 /nfs/dbraw/zinc/81/58/74/172815874.db2.gz OHZPMXGYPJWXJI-KBPBESRZSA-N 1 0 273.807 4.622 10 0 CJAERO C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)c1ccccc1 ZINC000036936745 172816103 /nfs/dbraw/zinc/81/61/03/172816103.db2.gz OHZPMXGYPJWXJI-ZIAGYGMSSA-N 1 0 273.807 4.622 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccs1 ZINC000036953039 517827773 /nfs/dbraw/zinc/82/77/73/517827773.db2.gz DFQGZXPJLBPHRA-HZMBPMFUSA-N 1 0 281.371 4.828 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000036953101 330322479 /nfs/dbraw/zinc/32/24/79/330322479.db2.gz FJQJZUCHDNAJJV-UWVGGRQHSA-N 1 0 297.295 4.655 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000036953102 330322355 /nfs/dbraw/zinc/32/23/55/330322355.db2.gz FJQJZUCHDNAJJV-AOOOYVTPSA-N 1 0 297.295 4.655 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1 ZINC000036953103 330322519 /nfs/dbraw/zinc/32/25/19/330322519.db2.gz FJQJZUCHDNAJJV-NXEZZACHSA-N 1 0 297.295 4.655 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1C ZINC000036953116 330322432 /nfs/dbraw/zinc/32/24/32/330322432.db2.gz CWRORVAMTXPGAR-KGLIPLIRSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1C ZINC000036953117 330322414 /nfs/dbraw/zinc/32/24/14/330322414.db2.gz CWRORVAMTXPGAR-KBPBESRZSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1C ZINC000036953118 330322475 /nfs/dbraw/zinc/32/24/75/330322475.db2.gz CWRORVAMTXPGAR-ZIAGYGMSSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1C ZINC000036953119 330322360 /nfs/dbraw/zinc/32/23/60/330322360.db2.gz CWRORVAMTXPGAR-UONOGXRCSA-N 1 0 289.369 4.993 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000036953204 330322720 /nfs/dbraw/zinc/32/27/20/330322720.db2.gz HYPPCABWWZZVRD-SJCJKPOMSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000036953205 330322564 /nfs/dbraw/zinc/32/25/64/330322564.db2.gz HYPPCABWWZZVRD-YVEFUNNKSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000036953206 330322651 /nfs/dbraw/zinc/32/26/51/330322651.db2.gz HYPPCABWWZZVRD-PXAZEXFGSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000036953207 330322709 /nfs/dbraw/zinc/32/27/09/330322709.db2.gz HYPPCABWWZZVRD-SJKOYZFVSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000036953209 172826141 /nfs/dbraw/zinc/82/61/41/172826141.db2.gz MGPNOTHMCMJMRZ-APPDUMDISA-N 1 0 293.332 4.906 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000036958502 326875640 /nfs/dbraw/zinc/87/56/40/326875640.db2.gz VSTOEKVCCNCKMC-KGLIPLIRSA-N 1 0 257.377 4.562 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000036958505 326875912 /nfs/dbraw/zinc/87/59/12/326875912.db2.gz VSTOEKVCCNCKMC-UONOGXRCSA-N 1 0 257.377 4.562 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)cc1 ZINC000036958566 326875655 /nfs/dbraw/zinc/87/56/55/326875655.db2.gz QWJFMYJWNWNPPM-KGLIPLIRSA-N 1 0 271.404 4.871 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)c(C)cc2C)o1 ZINC000036959895 326883321 /nfs/dbraw/zinc/88/33/21/326883321.db2.gz SDZCWQKGRVQCGJ-HZPDHXFCSA-N 1 0 271.404 4.925 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000036959959 333437396 /nfs/dbraw/zinc/43/73/96/333437396.db2.gz YOUAMNGSVNKEMX-WDEREUQCSA-N 1 0 281.758 4.792 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000036959961 333437327 /nfs/dbraw/zinc/43/73/27/333437327.db2.gz YOUAMNGSVNKEMX-GHMZBOCLSA-N 1 0 281.758 4.792 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000036959962 333437430 /nfs/dbraw/zinc/43/74/30/333437430.db2.gz YOUAMNGSVNKEMX-MNOVXSKESA-N 1 0 281.758 4.792 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2C)o1 ZINC000036960011 326885899 /nfs/dbraw/zinc/88/58/99/326885899.db2.gz IHBJDFFHYXFUPH-CABCVRRESA-N 1 0 257.377 4.617 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2C)o1 ZINC000036960013 326885859 /nfs/dbraw/zinc/88/58/59/326885859.db2.gz IHBJDFFHYXFUPH-HUUCEWRRSA-N 1 0 257.377 4.617 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000036960068 326888493 /nfs/dbraw/zinc/88/84/93/326888493.db2.gz HJWSSTLWEHNXBS-GJZGRUSLSA-N 1 0 287.403 4.789 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000036960069 326888400 /nfs/dbraw/zinc/88/84/00/326888400.db2.gz HJWSSTLWEHNXBS-HUUCEWRRSA-N 1 0 287.403 4.789 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)o1 ZINC000036960079 326888464 /nfs/dbraw/zinc/88/84/64/326888464.db2.gz RLQAUOBYWBMFCU-CABCVRRESA-N 1 0 257.377 4.617 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)o1 ZINC000036960081 326888651 /nfs/dbraw/zinc/88/86/51/326888651.db2.gz RLQAUOBYWBMFCU-HUUCEWRRSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000036960082 326888623 /nfs/dbraw/zinc/88/86/23/326888623.db2.gz RLQAUOBYWBMFCU-LSDHHAIUSA-N 1 0 257.377 4.617 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccc(F)cc1 ZINC000036960411 260057630 /nfs/dbraw/zinc/05/76/30/260057630.db2.gz PYZTWSCPIAPTMP-WFASDCNBSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccc(F)cc1 ZINC000036960413 260057925 /nfs/dbraw/zinc/05/79/25/260057925.db2.gz PYZTWSCPIAPTMP-SWLSCSKDSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccc(F)cc1 ZINC000036960415 260057914 /nfs/dbraw/zinc/05/79/14/260057914.db2.gz PYZTWSCPIAPTMP-DOMZBBRYSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccc(F)cc1 ZINC000036960417 260057649 /nfs/dbraw/zinc/05/76/49/260057649.db2.gz PYZTWSCPIAPTMP-IUODEOHRSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1OC)c1ccccc1 ZINC000036961243 327254411 /nfs/dbraw/zinc/25/44/11/327254411.db2.gz ALVRUKZKIYLMKT-YJBOKZPZSA-N 1 0 283.415 4.806 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1OC)c1ccccc1 ZINC000036961245 327254334 /nfs/dbraw/zinc/25/43/34/327254334.db2.gz ALVRUKZKIYLMKT-MAUKXSAKSA-N 1 0 283.415 4.806 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1OC)c1ccccc1 ZINC000036961247 327254382 /nfs/dbraw/zinc/25/43/82/327254382.db2.gz ALVRUKZKIYLMKT-QAPCUYQASA-N 1 0 283.415 4.806 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1OC)c1ccccc1 ZINC000036961249 327254379 /nfs/dbraw/zinc/25/43/79/327254379.db2.gz ALVRUKZKIYLMKT-CRAIPNDOSA-N 1 0 283.415 4.806 10 0 CJAERO CCCCC[C@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968361 172837053 /nfs/dbraw/zinc/83/70/53/172837053.db2.gz PYRKXJLUXULKHK-WFASDCNBSA-N 1 0 281.440 4.921 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000036968482 172837025 /nfs/dbraw/zinc/83/70/25/172837025.db2.gz FXNQMAJTVGRCQW-SWLSCSKDSA-N 1 0 281.440 4.777 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968486 172837009 /nfs/dbraw/zinc/83/70/09/172837009.db2.gz FXNQMAJTVGRCQW-WFASDCNBSA-N 1 0 281.440 4.777 10 0 CJAERO CCCC(CCC)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968530 172837074 /nfs/dbraw/zinc/83/70/74/172837074.db2.gz ZOFDUUQZNILLID-HNNXBMFYSA-N 1 0 281.440 4.921 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(Cl)cc2C)s1 ZINC000036984542 172850935 /nfs/dbraw/zinc/85/09/35/172850935.db2.gz GOSQNTFMDOLJLN-GFCCVEGCSA-N 1 0 265.809 4.787 10 0 CJAERO Cc1cc(Oc2ccc([C@H](C)[NH3+])cc2)cc(C)c1Cl ZINC000036988106 172852277 /nfs/dbraw/zinc/85/22/77/172852277.db2.gz HBDOSOFJTGDDAJ-LBPRGKRZSA-N 1 0 275.779 4.769 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccc(Cl)s1 ZINC000036992343 328639124 /nfs/dbraw/zinc/63/91/24/328639124.db2.gz DVATWAFRIGVOOP-UWVGGRQHSA-N 1 0 281.808 4.519 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cccc(O)c1 ZINC000036992344 328639134 /nfs/dbraw/zinc/63/91/34/328639134.db2.gz DVATWAFRIGVOOP-ZJUUUORDSA-N 1 0 281.808 4.519 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccc(Cl)s1 ZINC000036992346 328639196 /nfs/dbraw/zinc/63/91/96/328639196.db2.gz DVATWAFRIGVOOP-NXEZZACHSA-N 1 0 281.808 4.519 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccs2)cc1 ZINC000036992825 172854141 /nfs/dbraw/zinc/85/41/41/172854141.db2.gz ZDYVEXJRFBHFNT-KBPBESRZSA-N 1 0 273.445 4.592 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000036992827 172854635 /nfs/dbraw/zinc/85/46/35/172854635.db2.gz ZDYVEXJRFBHFNT-KGLIPLIRSA-N 1 0 273.445 4.592 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(C)cc1 ZINC000036993048 172854449 /nfs/dbraw/zinc/85/44/49/172854449.db2.gz GGFUQQNTBKMGET-YOEHRIQHSA-N 1 0 273.445 4.728 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(F)cc1 ZINC000036993067 172854431 /nfs/dbraw/zinc/85/44/31/172854431.db2.gz CXHBKBLCBFHLRD-BLLLJJGKSA-N 1 0 277.408 4.559 10 0 CJAERO CC[C@H]([NH2+][C@H](C)Cc1cccs1)c1ccc(F)cc1 ZINC000036993068 172854110 /nfs/dbraw/zinc/85/41/10/172854110.db2.gz CXHBKBLCBFHLRD-WBMJQRKESA-N 1 0 277.408 4.559 10 0 CJAERO CC(C)(C)[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000036994605 172855255 /nfs/dbraw/zinc/85/52/55/172855255.db2.gz AYEPWLTXRWGTHE-QGZVFWFLSA-N 1 0 259.437 4.944 10 0 CJAERO CC(C)(C)[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000036994606 172855122 /nfs/dbraw/zinc/85/51/22/172855122.db2.gz AYEPWLTXRWGTHE-KRWDZBQOSA-N 1 0 259.437 4.944 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1OC ZINC000036995069 172855056 /nfs/dbraw/zinc/85/50/56/172855056.db2.gz ZAOMBUYFCIEDMT-HOCLYGCPSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1OC ZINC000036995070 172855401 /nfs/dbraw/zinc/85/54/01/172855401.db2.gz ZAOMBUYFCIEDMT-GOEBONIOSA-N 1 0 263.425 4.561 10 0 CJAERO CCCC(CCC)[NH2+][C@@H](CC)c1ccccc1OC ZINC000036995095 172854998 /nfs/dbraw/zinc/85/49/98/172854998.db2.gz PKISUFWRXDKUSX-INIZCTEOSA-N 1 0 263.425 4.705 10 0 CJAERO CCC[C@@H](C)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997249 172857356 /nfs/dbraw/zinc/85/73/56/172857356.db2.gz AOCKZEHHALIEIJ-HUUCEWRRSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037031670 172899429 /nfs/dbraw/zinc/89/94/29/172899429.db2.gz YBWZSSJGYKFGFM-MQIPJXDCSA-N 1 0 267.363 4.584 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000037031742 517779631 /nfs/dbraw/zinc/77/96/31/517779631.db2.gz QKMFWSDNJLJKQW-LZLYRXPVSA-N 1 0 259.437 4.923 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000037031823 172899369 /nfs/dbraw/zinc/89/93/69/172899369.db2.gz AUUTXYOOLWOBPB-FHLIZLRMSA-N 1 0 257.421 4.622 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000037031929 172899191 /nfs/dbraw/zinc/89/91/91/172899191.db2.gz AJWNNZNFWKOJLV-OZVIIMIRSA-N 1 0 267.363 4.584 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000037031931 172899092 /nfs/dbraw/zinc/89/90/92/172899092.db2.gz AJWNNZNFWKOJLV-HWWQOWPSSA-N 1 0 267.363 4.584 10 0 CJAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000037032023 172899124 /nfs/dbraw/zinc/89/91/24/172899124.db2.gz ADICYMPOQFGVNY-SZMVWBNQSA-N 1 0 259.437 4.566 10 0 CJAERO CCC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000037062457 260066411 /nfs/dbraw/zinc/06/64/11/260066411.db2.gz KKJUPUBMKMZTLU-ZWKOTPCHSA-N 1 0 281.399 4.641 10 0 CJAERO CCC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000037062458 260066514 /nfs/dbraw/zinc/06/65/14/260066514.db2.gz KKJUPUBMKMZTLU-QZTJIDSGSA-N 1 0 281.399 4.641 10 0 CJAERO CCC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000037062459 260066382 /nfs/dbraw/zinc/06/63/82/260066382.db2.gz KKJUPUBMKMZTLU-ROUUACIJSA-N 1 0 281.399 4.641 10 0 CJAERO CCC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000037062460 260066467 /nfs/dbraw/zinc/06/64/67/260066467.db2.gz KKJUPUBMKMZTLU-MSOLQXFVSA-N 1 0 281.399 4.641 10 0 CJAERO CC[C@@H](C)C[C@H](CC)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000037067591 172930456 /nfs/dbraw/zinc/93/04/56/172930456.db2.gz RPUXCDSQFUVBKG-BWZWCVMUSA-N 1 0 263.469 4.616 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000037071065 172932097 /nfs/dbraw/zinc/93/20/97/172932097.db2.gz GEOAXGBRLLDNNH-RHSMWYFYSA-N 1 0 273.445 4.862 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000037071066 172931963 /nfs/dbraw/zinc/93/19/63/172931963.db2.gz GEOAXGBRLLDNNH-WMLDXEAASA-N 1 0 273.445 4.862 10 0 CJAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037071126 172931876 /nfs/dbraw/zinc/93/18/76/172931876.db2.gz HUOQXEXPHUKYIT-ZNMIVQPWSA-N 1 0 259.437 4.651 10 0 CJAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037071128 172932052 /nfs/dbraw/zinc/93/20/52/172932052.db2.gz HUOQXEXPHUKYIT-KKUMJFAQSA-N 1 0 259.437 4.651 10 0 CJAERO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cccs1 ZINC000037072834 172932572 /nfs/dbraw/zinc/93/25/72/172932572.db2.gz BDAAQYBWIZRSMV-LRDDRELGSA-N 1 0 275.417 4.502 10 0 CJAERO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1cccs1 ZINC000037072837 172932845 /nfs/dbraw/zinc/93/28/45/172932845.db2.gz BDAAQYBWIZRSMV-MLGOLLRUSA-N 1 0 275.417 4.502 10 0 CJAERO CCC[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000037074171 172933149 /nfs/dbraw/zinc/93/31/49/172933149.db2.gz WADXLVMLWCBCLE-RYUDHWBXSA-N 1 0 273.342 4.792 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092543 333478140 /nfs/dbraw/zinc/47/81/40/333478140.db2.gz ZOZCWATVYUZDCT-PNESKVBLSA-N 1 0 265.363 4.522 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000037092549 333478143 /nfs/dbraw/zinc/47/81/43/333478143.db2.gz MGCRBNKLFLQMDN-XUJLQICISA-N 1 0 297.364 4.775 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000037092550 333478096 /nfs/dbraw/zinc/47/80/96/333478096.db2.gz MGCRBNKLFLQMDN-ZBCRRDGASA-N 1 0 297.364 4.775 10 0 CJAERO CCCC(CCC)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092563 328415935 /nfs/dbraw/zinc/41/59/35/328415935.db2.gz JUEPKYQRBLMSLR-UHFFFAOYSA-N 1 0 265.363 4.666 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)s1 ZINC000037092566 333478148 /nfs/dbraw/zinc/47/81/48/333478148.db2.gz UAQUIYSJCHVJAC-VOMCLLRMSA-N 1 0 291.382 4.828 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)s1 ZINC000037092567 333478127 /nfs/dbraw/zinc/47/81/27/333478127.db2.gz UAQUIYSJCHVJAC-UNXYVOJBSA-N 1 0 291.382 4.828 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092578 333478092 /nfs/dbraw/zinc/47/80/92/333478092.db2.gz MYFTVVIELXBOPT-IYXRBSQSSA-N 1 0 285.353 4.767 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092579 333478153 /nfs/dbraw/zinc/47/81/53/333478153.db2.gz MYFTVVIELXBOPT-HSBZDZAISA-N 1 0 285.353 4.767 10 0 CJAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000037092584 525290268 /nfs/dbraw/zinc/29/02/68/525290268.db2.gz WWMIXGVMVKJJCP-WHXUTIOJSA-N 1 0 277.355 4.520 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000037092585 525397107 /nfs/dbraw/zinc/39/71/07/525397107.db2.gz WWMIXGVMVKJJCP-KPPDAEKUSA-N 1 0 277.355 4.520 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092592 333478130 /nfs/dbraw/zinc/47/81/30/333478130.db2.gz KQZQHNHIDIQQHA-IUDNXUCKSA-N 1 0 299.380 4.718 10 0 CJAERO CC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000037092632 333478123 /nfs/dbraw/zinc/47/81/23/333478123.db2.gz QUTNVGPWCRZXBT-NRXISQOPSA-N 1 0 285.353 4.848 10 0 CJAERO CC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000037092633 333478119 /nfs/dbraw/zinc/47/81/19/333478119.db2.gz QUTNVGPWCRZXBT-YMAMQOFZSA-N 1 0 285.353 4.848 10 0 CJAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cccc(F)c1 ZINC000037099286 333481304 /nfs/dbraw/zinc/48/13/04/333481304.db2.gz CTDLVVHAXZRRBJ-JKDOVBDQSA-N 1 0 289.316 4.597 10 0 CJAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cccc(F)c1 ZINC000037099287 333481410 /nfs/dbraw/zinc/48/14/10/333481410.db2.gz CTDLVVHAXZRRBJ-PWQPVHBWSA-N 1 0 289.316 4.597 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccs1 ZINC000037099547 172954278 /nfs/dbraw/zinc/95/42/78/172954278.db2.gz UFQQRYLOXQOQQE-SDDRHHMPSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccs1 ZINC000037099548 172953949 /nfs/dbraw/zinc/95/39/49/172953949.db2.gz UFQQRYLOXQOQQE-QJPTWQEYSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)c1cccs1 ZINC000037099549 172953993 /nfs/dbraw/zinc/95/39/93/172953993.db2.gz UFQQRYLOXQOQQE-SRVKXCTJSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)c1cccs1 ZINC000037099550 172953953 /nfs/dbraw/zinc/95/39/53/172953953.db2.gz UFQQRYLOXQOQQE-TUAOUCFPSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099775 172954153 /nfs/dbraw/zinc/95/41/53/172954153.db2.gz UVMFQSQUSVEJFR-RFQIPJPRSA-N 1 0 279.390 4.912 10 0 CJAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000037099978 333481612 /nfs/dbraw/zinc/48/16/12/333481612.db2.gz JGSHPGSSPQQAMN-FJBKBRRZSA-N 1 0 297.364 4.643 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000037100752 172954954 /nfs/dbraw/zinc/95/49/54/172954954.db2.gz FFYABXAUGSFFKC-MRXNPFEDSA-N 1 0 259.437 4.868 10 0 CJAERO COc1cccc([C@H](C)[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000037100860 172954812 /nfs/dbraw/zinc/95/48/12/172954812.db2.gz KSAQLVGNSINTNA-ZDUSSCGKSA-N 1 0 263.425 4.561 10 0 CJAERO COc1cccc([C@@H](C)[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000037100861 172955233 /nfs/dbraw/zinc/95/52/33/172955233.db2.gz KSAQLVGNSINTNA-CYBMUJFWSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000037117911 172968179 /nfs/dbraw/zinc/96/81/79/172968179.db2.gz BLIMFOFKEHMKQS-MAZHCROVSA-N 1 0 265.828 4.959 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037118155 328508158 /nfs/dbraw/zinc/50/81/58/328508158.db2.gz OBAKXEOIWDOLKT-NEPJUHHUSA-N 1 0 284.241 4.534 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037118156 328508072 /nfs/dbraw/zinc/50/80/72/328508072.db2.gz OBAKXEOIWDOLKT-RYUDHWBXSA-N 1 0 284.241 4.534 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037118157 328508182 /nfs/dbraw/zinc/50/81/82/328508182.db2.gz OBAKXEOIWDOLKT-VXGBXAGGSA-N 1 0 284.241 4.534 10 0 CJAERO CCC(CC)C[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118474 172968528 /nfs/dbraw/zinc/96/85/28/172968528.db2.gz AQUDHCAZSBVOCL-OAHLLOKOSA-N 1 0 263.425 4.627 10 0 CJAERO CCC(CC)C[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118475 172968201 /nfs/dbraw/zinc/96/82/01/172968201.db2.gz AQUDHCAZSBVOCL-HNNXBMFYSA-N 1 0 263.425 4.627 10 0 CJAERO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)CC(C)C ZINC000037118541 172967839 /nfs/dbraw/zinc/96/78/39/172967839.db2.gz GNCRAYQMPBBQLZ-SWLSCSKDSA-N 1 0 263.425 4.626 10 0 CJAERO CCC(CC)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119092 172968570 /nfs/dbraw/zinc/96/85/70/172968570.db2.gz QGACERQOOCIFMY-INIZCTEOSA-N 1 0 265.416 4.939 10 0 CJAERO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1(C)CC1 ZINC000037119127 172967923 /nfs/dbraw/zinc/96/79/23/172967923.db2.gz QUSRBDQROVKFMV-IUODEOHRSA-N 1 0 263.400 4.691 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119158 172968060 /nfs/dbraw/zinc/96/80/60/172968060.db2.gz GYFJEIBEGHVAOP-CJNGLKHVSA-N 1 0 265.416 4.937 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000037141569 522713380 /nfs/dbraw/zinc/71/33/80/522713380.db2.gz RODJSKSWQKIEIC-TUAOUCFPSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000037141571 522753487 /nfs/dbraw/zinc/75/34/87/522753487.db2.gz RODJSKSWQKIEIC-SRVKXCTJSA-N 1 0 291.382 4.910 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141797 333497693 /nfs/dbraw/zinc/49/76/93/333497693.db2.gz ADVOMXDBTKHYCR-AVGNSLFASA-N 1 0 265.363 4.522 10 0 CJAERO CCCC(CCC)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141840 333497725 /nfs/dbraw/zinc/49/77/25/333497725.db2.gz GEJFPSBTEXFTGH-AAEUAGOBSA-N 1 0 265.363 4.666 10 0 CJAERO CCCC(CCC)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141842 333497679 /nfs/dbraw/zinc/49/76/79/333497679.db2.gz GEJFPSBTEXFTGH-YPMHNXCESA-N 1 0 265.363 4.666 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000037141913 525560544 /nfs/dbraw/zinc/56/05/44/525560544.db2.gz ICPPZEUKHFARQT-GARJFASQSA-N 1 0 277.355 4.520 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000037141915 525612113 /nfs/dbraw/zinc/61/21/13/525612113.db2.gz ICPPZEUKHFARQT-DCAQKATOSA-N 1 0 277.355 4.520 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141943 333497778 /nfs/dbraw/zinc/49/77/78/333497778.db2.gz ATFCHJJVZZUSOM-KBMXLJTQSA-N 1 0 299.380 4.718 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000037142061 333497798 /nfs/dbraw/zinc/49/77/98/333497798.db2.gz RPTBNTFFMVQWMB-ZNMIVQPWSA-N 1 0 285.353 4.848 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000037142063 333497687 /nfs/dbraw/zinc/49/76/87/333497687.db2.gz RPTBNTFFMVQWMB-KKUMJFAQSA-N 1 0 285.353 4.848 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000037142161 333497688 /nfs/dbraw/zinc/49/76/88/333497688.db2.gz UQUJGEQBYJHFNB-VHRBIJSZSA-N 1 0 289.316 4.597 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000037142163 333497724 /nfs/dbraw/zinc/49/77/24/333497724.db2.gz UQUJGEQBYJHFNB-JKOKRWQUSA-N 1 0 289.316 4.597 10 0 CJAERO CCC(CC)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000037186995 173017172 /nfs/dbraw/zinc/01/71/72/173017172.db2.gz STSRCRHPJVQYEW-QMMMGPOBSA-N 1 0 278.198 4.972 10 0 CJAERO CCC(CC)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000037186996 173017134 /nfs/dbraw/zinc/01/71/34/173017134.db2.gz STSRCRHPJVQYEW-MRVPVSSYSA-N 1 0 278.198 4.972 10 0 CJAERO CCC(CC)[NH2+][C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000037187012 173017166 /nfs/dbraw/zinc/01/71/66/173017166.db2.gz TZEYLMWXYIPYBV-AWEZNQCLSA-N 1 0 283.824 4.862 10 0 CJAERO CCC(CC)[NH2+][C@H](c1ccco1)c1ccc(Cl)s1 ZINC000037187013 173017447 /nfs/dbraw/zinc/01/74/47/173017447.db2.gz TZEYLMWXYIPYBV-CQSZACIVSA-N 1 0 283.824 4.862 10 0 CJAERO CCC(CC)[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037187035 173017371 /nfs/dbraw/zinc/01/73/71/173017371.db2.gz MXKHBUBJYCFOLO-CYBMUJFWSA-N 1 0 288.218 4.595 10 0 CJAERO CCC(CC)[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037187036 173017357 /nfs/dbraw/zinc/01/73/57/173017357.db2.gz MXKHBUBJYCFOLO-ZDUSSCGKSA-N 1 0 288.218 4.595 10 0 CJAERO CCC(CC)[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000037187056 173017342 /nfs/dbraw/zinc/01/73/42/173017342.db2.gz RJRAESNRVWGJTD-AWEZNQCLSA-N 1 0 279.474 4.872 10 0 CJAERO CCC(CC)[NH2+][C@H](Cc1cccs1)c1cccs1 ZINC000037187057 173017622 /nfs/dbraw/zinc/01/76/22/173017622.db2.gz RJRAESNRVWGJTD-CQSZACIVSA-N 1 0 279.474 4.872 10 0 CJAERO CCCCC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037188881 173019228 /nfs/dbraw/zinc/01/92/28/173019228.db2.gz PHEHLSTZVNUJIU-CYBMUJFWSA-N 1 0 288.218 4.597 10 0 CJAERO CCCCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037188882 173019153 /nfs/dbraw/zinc/01/91/53/173019153.db2.gz PHEHLSTZVNUJIU-ZDUSSCGKSA-N 1 0 288.218 4.597 10 0 CJAERO CCCC[C@H]([NH2+]CCc1cccs1)c1ccccc1 ZINC000037211849 173033673 /nfs/dbraw/zinc/03/36/73/173033673.db2.gz ZIYPQRBSATXLOI-KRWDZBQOSA-N 1 0 273.445 4.812 10 0 CJAERO CCCC[C@@H]([NH2+]CCc1cccs1)c1ccccc1 ZINC000037211850 173033598 /nfs/dbraw/zinc/03/35/98/173033598.db2.gz ZIYPQRBSATXLOI-QGZVFWFLSA-N 1 0 273.445 4.812 10 0 CJAERO Clc1ccc([C@H]([NH2+]CCc2cccs2)C2CC2)cc1 ZINC000037211856 173033763 /nfs/dbraw/zinc/03/37/63/173033763.db2.gz BJRQDIRNKSLGPE-MRXNPFEDSA-N 1 0 291.847 4.685 10 0 CJAERO Clc1ccc([C@@H]([NH2+]CCc2cccs2)C2CC2)cc1 ZINC000037211857 173033616 /nfs/dbraw/zinc/03/36/16/173033616.db2.gz BJRQDIRNKSLGPE-INIZCTEOSA-N 1 0 291.847 4.685 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)cc1 ZINC000037214573 333515682 /nfs/dbraw/zinc/51/56/82/333515682.db2.gz JLFVNWOPRVFRCH-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1ccc([C@H]([NH2+][C@@H](C)CCC(C)C)C2CC2)cc1 ZINC000037218566 173037197 /nfs/dbraw/zinc/03/71/97/173037197.db2.gz FXEIXLZYJZGKFY-YJBOKZPZSA-N 1 0 259.437 4.860 10 0 CJAERO Cc1ccc([C@@H]([NH2+][C@@H](C)CCC(C)C)C2CC2)cc1 ZINC000037218567 173036820 /nfs/dbraw/zinc/03/68/20/173036820.db2.gz FXEIXLZYJZGKFY-MAUKXSAKSA-N 1 0 259.437 4.860 10 0 CJAERO Cc1ccc([C@H]([NH2+][C@H](C)CCC(C)C)C2CC2)cc1 ZINC000037218568 173037180 /nfs/dbraw/zinc/03/71/80/173037180.db2.gz FXEIXLZYJZGKFY-QAPCUYQASA-N 1 0 259.437 4.860 10 0 CJAERO Cc1ccc([C@@H]([NH2+][C@H](C)CCC(C)C)C2CC2)cc1 ZINC000037218569 173036721 /nfs/dbraw/zinc/03/67/21/173036721.db2.gz FXEIXLZYJZGKFY-CRAIPNDOSA-N 1 0 259.437 4.860 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037218708 173036897 /nfs/dbraw/zinc/03/68/97/173036897.db2.gz VAKWCTLCUBZFQI-CXAGYDPISA-N 1 0 263.400 4.691 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037218709 173036822 /nfs/dbraw/zinc/03/68/22/173036822.db2.gz VAKWCTLCUBZFQI-SUMWQHHRSA-N 1 0 263.400 4.691 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037218710 173037173 /nfs/dbraw/zinc/03/71/73/173037173.db2.gz VAKWCTLCUBZFQI-DYVFJYSZSA-N 1 0 263.400 4.691 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037218711 173036791 /nfs/dbraw/zinc/03/67/91/173036791.db2.gz VAKWCTLCUBZFQI-GUYCJALGSA-N 1 0 263.400 4.691 10 0 CJAERO CCCC[C@@H](CC)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037219650 173037120 /nfs/dbraw/zinc/03/71/20/173037120.db2.gz WMRYNWGQIQJRRJ-RHSMWYFYSA-N 1 0 277.477 4.781 10 0 CJAERO CCCC[C@H](CC)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037219651 173037325 /nfs/dbraw/zinc/03/73/25/173037325.db2.gz WMRYNWGQIQJRRJ-WMLDXEAASA-N 1 0 277.477 4.781 10 0 CJAERO CCCC[C@@H](CC)C[NH2+][C@H]1CSCc2ccccc21 ZINC000037219652 173036762 /nfs/dbraw/zinc/03/67/62/173036762.db2.gz WMRYNWGQIQJRRJ-PBHICJAKSA-N 1 0 277.477 4.781 10 0 CJAERO CCCC[C@H](CC)C[NH2+][C@H]1CSCc2ccccc21 ZINC000037219653 173036793 /nfs/dbraw/zinc/03/67/93/173036793.db2.gz WMRYNWGQIQJRRJ-YOEHRIQHSA-N 1 0 277.477 4.781 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037220742 333516195 /nfs/dbraw/zinc/51/61/95/333516195.db2.gz XSBKYDWJBMXMIQ-INIZCTEOSA-N 1 0 283.415 4.633 10 0 CJAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C)c(F)c1 ZINC000037220844 333516241 /nfs/dbraw/zinc/51/62/41/333516241.db2.gz IAUDTBDIWYZDKZ-KGLIPLIRSA-N 1 0 287.378 4.555 10 0 CJAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c(F)c1 ZINC000037220846 333516202 /nfs/dbraw/zinc/51/62/02/333516202.db2.gz IAUDTBDIWYZDKZ-KBPBESRZSA-N 1 0 287.378 4.555 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000037220852 333516268 /nfs/dbraw/zinc/51/62/68/333516268.db2.gz QTYWVFVOYBEEFM-CVEARBPZSA-N 1 0 253.389 4.715 10 0 CJAERO CCc1ccc([C@@H](CC)[NH2+]C2CCC(C)CC2)cc1 ZINC000037223735 173043831 /nfs/dbraw/zinc/04/38/31/173043831.db2.gz XZBPNANVNKZFKY-IUPXNIOVSA-N 1 0 259.437 4.868 10 0 CJAERO CCc1ccc([C@H](CC)[NH2+]C2CCC(C)CC2)cc1 ZINC000037223736 173044050 /nfs/dbraw/zinc/04/40/50/173044050.db2.gz XZBPNANVNKZFKY-UYJHFMRCSA-N 1 0 259.437 4.868 10 0 CJAERO CCc1ccc([C@@H](CC)[NH2+]CCc2cccs2)cc1 ZINC000037223815 173044932 /nfs/dbraw/zinc/04/49/32/173044932.db2.gz NRNCQROKNDDSMY-QGZVFWFLSA-N 1 0 273.445 4.594 10 0 CJAERO CCc1ccc([C@H](CC)[NH2+]CCc2cccs2)cc1 ZINC000037223816 173044821 /nfs/dbraw/zinc/04/48/21/173044821.db2.gz NRNCQROKNDDSMY-KRWDZBQOSA-N 1 0 273.445 4.594 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)cc1Cl ZINC000037229926 333519835 /nfs/dbraw/zinc/51/98/35/333519835.db2.gz FYPKOWAQISKPGD-PIGZYNQJSA-N 1 0 289.781 4.817 10 0 CJAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037231604 173049734 /nfs/dbraw/zinc/04/97/34/173049734.db2.gz RBVSRDPCUJPRBH-HOTGVXAUSA-N 1 0 259.437 4.566 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037231605 173049825 /nfs/dbraw/zinc/04/98/25/173049825.db2.gz RBVSRDPCUJPRBH-CVEARBPZSA-N 1 0 259.437 4.566 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C1CCCCC1 ZINC000037231606 173050106 /nfs/dbraw/zinc/05/01/06/173050106.db2.gz RBVSRDPCUJPRBH-JKSUJKDBSA-N 1 0 259.437 4.566 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@H](C)C1CCCCC1 ZINC000037231607 173050321 /nfs/dbraw/zinc/05/03/21/173050321.db2.gz RBVSRDPCUJPRBH-HZPDHXFCSA-N 1 0 259.437 4.566 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037231922 173050816 /nfs/dbraw/zinc/05/08/16/173050816.db2.gz LPLHLPZLNWJQDR-RHSMWYFYSA-N 1 0 277.477 4.779 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037231923 173050858 /nfs/dbraw/zinc/05/08/58/173050858.db2.gz LPLHLPZLNWJQDR-WMLDXEAASA-N 1 0 277.477 4.779 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037231924 173050968 /nfs/dbraw/zinc/05/09/68/173050968.db2.gz LPLHLPZLNWJQDR-PBHICJAKSA-N 1 0 277.477 4.779 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037231925 173051724 /nfs/dbraw/zinc/05/17/24/173051724.db2.gz LPLHLPZLNWJQDR-YOEHRIQHSA-N 1 0 277.477 4.779 10 0 CJAERO CCCCCC(CCCCC)[NH2+]Cc1ccncc1 ZINC000037232089 173051742 /nfs/dbraw/zinc/05/17/42/173051742.db2.gz KFGDKRIMGPZRPY-UHFFFAOYSA-N 1 0 262.441 4.700 10 0 CJAERO CCCCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037232604 173051402 /nfs/dbraw/zinc/05/14/02/173051402.db2.gz BVROUQFFCKCUSG-QZTJIDSGSA-N 1 0 259.437 4.883 10 0 CJAERO CCCCCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037232605 173051251 /nfs/dbraw/zinc/05/12/51/173051251.db2.gz BVROUQFFCKCUSG-MSOLQXFVSA-N 1 0 259.437 4.883 10 0 CJAERO CCCCCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037232606 173051337 /nfs/dbraw/zinc/05/13/37/173051337.db2.gz BVROUQFFCKCUSG-ZWKOTPCHSA-N 1 0 259.437 4.883 10 0 CJAERO CCCCCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037232607 173050901 /nfs/dbraw/zinc/05/09/01/173050901.db2.gz BVROUQFFCKCUSG-ROUUACIJSA-N 1 0 259.437 4.883 10 0 CJAERO CCCCCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037232661 173051466 /nfs/dbraw/zinc/05/14/66/173051466.db2.gz NVQJNHLMDUDLNM-AWEZNQCLSA-N 1 0 273.342 4.850 10 0 CJAERO CCCCCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037232662 173051591 /nfs/dbraw/zinc/05/15/91/173051591.db2.gz NVQJNHLMDUDLNM-CQSZACIVSA-N 1 0 273.342 4.850 10 0 CJAERO CCc1cc(Oc2ccc(F)cc2C[NH2+]C)ccc1Cl ZINC000037238447 173054999 /nfs/dbraw/zinc/05/49/99/173054999.db2.gz YPHRWQVQSQXYJT-UHFFFAOYSA-N 1 0 293.769 4.553 10 0 CJAERO C[NH2+][C@@H](CC1CCCCC1)c1nc2ccccc2s1 ZINC000037239455 173056299 /nfs/dbraw/zinc/05/62/99/173056299.db2.gz AVHBQCBHJHNDQN-AWEZNQCLSA-N 1 0 274.433 4.527 10 0 CJAERO C[NH2+][C@H](CC1CCCCC1)c1nc2ccccc2s1 ZINC000037239457 173056050 /nfs/dbraw/zinc/05/60/50/173056050.db2.gz AVHBQCBHJHNDQN-CQSZACIVSA-N 1 0 274.433 4.527 10 0 CJAERO CSCc1ccc(C[NH2+]CCCCCCC(C)C)o1 ZINC000037239555 173056281 /nfs/dbraw/zinc/05/62/81/173056281.db2.gz DVNBYBQKHNEILA-UHFFFAOYSA-N 1 0 283.481 4.839 10 0 CJAERO CCCCCC(CCCCC)[NH2+]CCCOC(C)C ZINC000037239687 173056351 /nfs/dbraw/zinc/05/63/51/173056351.db2.gz LNIBCBQIZXRYIN-UHFFFAOYSA-N 1 0 271.489 4.920 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000037243235 333522607 /nfs/dbraw/zinc/52/26/07/333522607.db2.gz HMKATLLXFACOHN-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO Clc1ccc(C[NH2+]CC2CCCCC2)cc1Cl ZINC000037247755 173060455 /nfs/dbraw/zinc/06/04/55/173060455.db2.gz FFZXKLSJWCXULJ-UHFFFAOYSA-N 1 0 272.219 4.663 10 0 CJAERO Clc1cccc(Cl)c1C[NH2+]CC1CCCCC1 ZINC000037247777 173059943 /nfs/dbraw/zinc/05/99/43/173059943.db2.gz XYMHGJXNEXDZPL-UHFFFAOYSA-N 1 0 272.219 4.663 10 0 CJAERO Clc1ccc(C[NH2+]CC2CCCCC2)c(Cl)c1 ZINC000037248311 173061362 /nfs/dbraw/zinc/06/13/62/173061362.db2.gz HXJIQQQYHBCAHH-UHFFFAOYSA-N 1 0 272.219 4.663 10 0 CJAERO Clc1cccc(C[NH2+]CC2CCCCC2)c1Cl ZINC000037248313 173061406 /nfs/dbraw/zinc/06/14/06/173061406.db2.gz RKQUAPMKBYXSKQ-UHFFFAOYSA-N 1 0 272.219 4.663 10 0 CJAERO CC(C)(C)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000037248327 173061189 /nfs/dbraw/zinc/06/11/89/173061189.db2.gz QINZTGILEITQKP-UHFFFAOYSA-N 1 0 251.458 4.761 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037248413 173061147 /nfs/dbraw/zinc/06/11/47/173061147.db2.gz XJFCHKQUXBYXRW-MFKMUULPSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037248415 173061337 /nfs/dbraw/zinc/06/13/37/173061337.db2.gz XJFCHKQUXBYXRW-GWCFXTLKSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037248417 173060720 /nfs/dbraw/zinc/06/07/20/173060720.db2.gz XJFCHKQUXBYXRW-ZWNOBZJWSA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037248419 173060909 /nfs/dbraw/zinc/06/09/09/173060909.db2.gz XJFCHKQUXBYXRW-GXFFZTMASA-N 1 0 272.219 4.662 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)c1ccccc1Br ZINC000037248503 173061377 /nfs/dbraw/zinc/06/13/77/173061377.db2.gz DJNFWRQYVWMPBJ-LBPRGKRZSA-N 1 0 296.252 4.680 10 0 CJAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccccc1Br ZINC000037248505 173061097 /nfs/dbraw/zinc/06/10/97/173061097.db2.gz DJNFWRQYVWMPBJ-GFCCVEGCSA-N 1 0 296.252 4.680 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)c1ccc(Br)cc1 ZINC000037248850 173060929 /nfs/dbraw/zinc/06/09/29/173060929.db2.gz MSDCMCAYTMDTKD-LBPRGKRZSA-N 1 0 296.252 4.680 10 0 CJAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(Br)cc1 ZINC000037248852 173060981 /nfs/dbraw/zinc/06/09/81/173060981.db2.gz MSDCMCAYTMDTKD-GFCCVEGCSA-N 1 0 296.252 4.680 10 0 CJAERO CC(C)C[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000037249062 173060693 /nfs/dbraw/zinc/06/06/93/173060693.db2.gz GDJSLNKDMTZWCL-SFHVURJKSA-N 1 0 259.437 4.944 10 0 CJAERO CC(C)C[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000037249064 173061417 /nfs/dbraw/zinc/06/14/17/173061417.db2.gz GDJSLNKDMTZWCL-GOSISDBHSA-N 1 0 259.437 4.944 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000037252583 173064690 /nfs/dbraw/zinc/06/46/90/173064690.db2.gz FEQBKEVUNXXNPG-PBHICJAKSA-N 1 0 253.389 4.508 10 0 CJAERO C[C@H]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000037252585 173064802 /nfs/dbraw/zinc/06/48/02/173064802.db2.gz FEQBKEVUNXXNPG-YOEHRIQHSA-N 1 0 253.389 4.508 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000037252587 173064401 /nfs/dbraw/zinc/06/44/01/173064401.db2.gz FEQBKEVUNXXNPG-RHSMWYFYSA-N 1 0 253.389 4.508 10 0 CJAERO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000037252589 173064294 /nfs/dbraw/zinc/06/42/94/173064294.db2.gz FEQBKEVUNXXNPG-WMLDXEAASA-N 1 0 253.389 4.508 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000037253878 173064398 /nfs/dbraw/zinc/06/43/98/173064398.db2.gz BCXVEGQRMYPVLT-MDZLAQPJSA-N 1 0 269.791 4.708 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000037253882 173064414 /nfs/dbraw/zinc/06/44/14/173064414.db2.gz BCXVEGQRMYPVLT-NTZNESFSSA-N 1 0 269.791 4.708 10 0 CJAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000037254852 173066089 /nfs/dbraw/zinc/06/60/89/173066089.db2.gz HNXYEWGNJHOQQM-CYBMUJFWSA-N 1 0 257.377 4.582 10 0 CJAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1CCCC1 ZINC000037254854 173066039 /nfs/dbraw/zinc/06/60/39/173066039.db2.gz HNXYEWGNJHOQQM-ZDUSSCGKSA-N 1 0 257.377 4.582 10 0 CJAERO CC(C)(C)C[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037255117 173066201 /nfs/dbraw/zinc/06/62/01/173066201.db2.gz KBICYYYTXVLBOM-KRWDZBQOSA-N 1 0 259.437 4.944 10 0 CJAERO CC(C)(C)C[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037255119 173066307 /nfs/dbraw/zinc/06/63/07/173066307.db2.gz KBICYYYTXVLBOM-QGZVFWFLSA-N 1 0 259.437 4.944 10 0 CJAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037255443 173065967 /nfs/dbraw/zinc/06/59/67/173065967.db2.gz DEKLHBAYDGUGRF-GXTWGEPZSA-N 1 0 259.393 4.826 10 0 CJAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037255445 173066206 /nfs/dbraw/zinc/06/62/06/173066206.db2.gz DEKLHBAYDGUGRF-JSGCOSHPSA-N 1 0 259.393 4.826 10 0 CJAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037255447 173065995 /nfs/dbraw/zinc/06/59/95/173065995.db2.gz DEKLHBAYDGUGRF-TZMCWYRMSA-N 1 0 259.393 4.826 10 0 CJAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037255449 173065929 /nfs/dbraw/zinc/06/59/29/173065929.db2.gz DEKLHBAYDGUGRF-OCCSQVGLSA-N 1 0 259.393 4.826 10 0 CJAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037255979 173067239 /nfs/dbraw/zinc/06/72/39/173067239.db2.gz CSKCNXUPOIOCSS-NWDGAFQWSA-N 1 0 282.497 4.834 10 0 CJAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037255981 173066802 /nfs/dbraw/zinc/06/68/02/173066802.db2.gz CSKCNXUPOIOCSS-RYUDHWBXSA-N 1 0 282.497 4.834 10 0 CJAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037255983 173067165 /nfs/dbraw/zinc/06/71/65/173067165.db2.gz CSKCNXUPOIOCSS-VXGBXAGGSA-N 1 0 282.497 4.834 10 0 CJAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037255985 173066667 /nfs/dbraw/zinc/06/66/67/173066667.db2.gz CSKCNXUPOIOCSS-NEPJUHHUSA-N 1 0 282.497 4.834 10 0 CJAERO C[C@H]([NH2+]CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037257693 173068378 /nfs/dbraw/zinc/06/83/78/173068378.db2.gz YYDDLKPPQKDJAO-JTQLQIEISA-N 1 0 272.219 4.834 10 0 CJAERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037257695 173068411 /nfs/dbraw/zinc/06/84/11/173068411.db2.gz YYDDLKPPQKDJAO-SNVBAGLBSA-N 1 0 272.219 4.834 10 0 CJAERO CC[C@H]([NH2+]CC1CCCC1)c1ccc(Br)cc1 ZINC000037257883 173068321 /nfs/dbraw/zinc/06/83/21/173068321.db2.gz BZYOOUUZWIVPRR-HNNXBMFYSA-N 1 0 296.252 4.680 10 0 CJAERO CC[C@@H]([NH2+]CC1CCCC1)c1ccc(Br)cc1 ZINC000037257885 173068435 /nfs/dbraw/zinc/06/84/35/173068435.db2.gz BZYOOUUZWIVPRR-OAHLLOKOSA-N 1 0 296.252 4.680 10 0 CJAERO C[C@H]([NH2+]CC1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000037257953 173068682 /nfs/dbraw/zinc/06/86/82/173068682.db2.gz UVEOEBVQAJWGSA-AWEZNQCLSA-N 1 0 259.437 4.825 10 0 CJAERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC000037257955 173068413 /nfs/dbraw/zinc/06/84/13/173068413.db2.gz UVEOEBVQAJWGSA-CQSZACIVSA-N 1 0 259.437 4.825 10 0 CJAERO CC[C@H]([NH2+]CC1CCCC1)c1ccc(Cl)cc1 ZINC000037257981 173068552 /nfs/dbraw/zinc/06/85/52/173068552.db2.gz HGLIBCBUXUCFBD-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO CC[C@@H]([NH2+]CC1CCCC1)c1ccc(Cl)cc1 ZINC000037257983 173068425 /nfs/dbraw/zinc/06/84/25/173068425.db2.gz HGLIBCBUXUCFBD-OAHLLOKOSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]CC1CCCC1)c1ccc(Cl)cc1Cl ZINC000037257993 173068689 /nfs/dbraw/zinc/06/86/89/173068689.db2.gz FOBOMMJVFNTXRY-JTQLQIEISA-N 1 0 272.219 4.834 10 0 CJAERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(Cl)cc1Cl ZINC000037257995 173068727 /nfs/dbraw/zinc/06/87/27/173068727.db2.gz FOBOMMJVFNTXRY-SNVBAGLBSA-N 1 0 272.219 4.834 10 0 CJAERO C[C@H]([NH2+]CC1CCCC1)c1cc(Cl)ccc1Cl ZINC000037257997 173068530 /nfs/dbraw/zinc/06/85/30/173068530.db2.gz LGFXGPSQRWJLFG-JTQLQIEISA-N 1 0 272.219 4.834 10 0 CJAERO C[C@@H]([NH2+]CC1CCCC1)c1cc(Cl)ccc1Cl ZINC000037257999 173068239 /nfs/dbraw/zinc/06/82/39/173068239.db2.gz LGFXGPSQRWJLFG-SNVBAGLBSA-N 1 0 272.219 4.834 10 0 CJAERO C[C@H]([NH2+]CC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000037258001 173068481 /nfs/dbraw/zinc/06/84/81/173068481.db2.gz SGFWWSMRHRKICG-NSHDSACASA-N 1 0 271.326 4.546 10 0 CJAERO C[C@@H]([NH2+]CC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000037258003 173068743 /nfs/dbraw/zinc/06/87/43/173068743.db2.gz SGFWWSMRHRKICG-LLVKDONJSA-N 1 0 271.326 4.546 10 0 CJAERO CC[C@H]([NH2+]CC1CCCC1)c1cccc(Cl)c1 ZINC000037258028 173068695 /nfs/dbraw/zinc/06/86/95/173068695.db2.gz ZAMATPDVVWLXFK-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO CC[C@@H]([NH2+]CC1CCCC1)c1cccc(Cl)c1 ZINC000037258030 173068806 /nfs/dbraw/zinc/06/88/06/173068806.db2.gz ZAMATPDVVWLXFK-OAHLLOKOSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]CC1CCCC1)c1ccccc1C(F)(F)F ZINC000037258086 173068741 /nfs/dbraw/zinc/06/87/41/173068741.db2.gz XYVMYEIIIBBXLS-NSHDSACASA-N 1 0 271.326 4.546 10 0 CJAERO C[C@@H]([NH2+]CC1CCCC1)c1ccccc1C(F)(F)F ZINC000037258088 173068776 /nfs/dbraw/zinc/06/87/76/173068776.db2.gz XYVMYEIIIBBXLS-LLVKDONJSA-N 1 0 271.326 4.546 10 0 CJAERO CC[C@H]([NH2+]CCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000037258968 173069024 /nfs/dbraw/zinc/06/90/24/173069024.db2.gz FPJRARNXQHXBNO-HNNXBMFYSA-N 1 0 298.213 4.870 10 0 CJAERO CC[C@@H]([NH2+]CCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000037258970 173069394 /nfs/dbraw/zinc/06/93/94/173069394.db2.gz FPJRARNXQHXBNO-OAHLLOKOSA-N 1 0 298.213 4.870 10 0 CJAERO CCCCCC(CCCCC)[NH2+]CCc1ccco1 ZINC000037259045 173069022 /nfs/dbraw/zinc/06/90/22/173069022.db2.gz YSVRBRZJHWQWFH-UHFFFAOYSA-N 1 0 265.441 4.941 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]CC2CCCCC2)cc1C ZINC000037259356 173069921 /nfs/dbraw/zinc/06/99/21/173069921.db2.gz RWBLMPQUIMTHHF-MRXNPFEDSA-N 1 0 259.437 4.843 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]CC2CCCCC2)cc1C ZINC000037259358 173069858 /nfs/dbraw/zinc/06/98/58/173069858.db2.gz RWBLMPQUIMTHHF-INIZCTEOSA-N 1 0 259.437 4.843 10 0 CJAERO C[C@H]([NH2+]CC1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000037259378 173069940 /nfs/dbraw/zinc/06/99/40/173069940.db2.gz FJWSHPHOPZDCBE-NSHDSACASA-N 1 0 269.791 4.710 10 0 CJAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000037259380 173070228 /nfs/dbraw/zinc/07/02/28/173070228.db2.gz FJWSHPHOPZDCBE-LLVKDONJSA-N 1 0 269.791 4.710 10 0 CJAERO CCCc1ccc([C@@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000037259443 173069974 /nfs/dbraw/zinc/06/99/74/173069974.db2.gz QHHXCQBSCVHKHM-OAHLLOKOSA-N 1 0 259.437 4.870 10 0 CJAERO CCCc1ccc([C@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000037259444 173070198 /nfs/dbraw/zinc/07/01/98/173070198.db2.gz QHHXCQBSCVHKHM-HNNXBMFYSA-N 1 0 259.437 4.870 10 0 CJAERO CC[C@H]([NH2+]CC1CCCCC1)c1cccc(Cl)c1 ZINC000037259536 173069728 /nfs/dbraw/zinc/06/97/28/173069728.db2.gz MVRNFEXUDLBOHT-INIZCTEOSA-N 1 0 265.828 4.961 10 0 CJAERO CC[C@@H]([NH2+]CC1CCCCC1)c1cccc(Cl)c1 ZINC000037259537 173070240 /nfs/dbraw/zinc/07/02/40/173070240.db2.gz MVRNFEXUDLBOHT-MRXNPFEDSA-N 1 0 265.828 4.961 10 0 CJAERO CCCC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000037260345 173070964 /nfs/dbraw/zinc/07/09/64/173070964.db2.gz NHFYJTYGBBETFG-HOCLYGCPSA-N 1 0 257.377 4.862 10 0 CJAERO CCCC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1 ZINC000037260347 173070944 /nfs/dbraw/zinc/07/09/44/173070944.db2.gz NHFYJTYGBBETFG-GOEBONIOSA-N 1 0 257.377 4.862 10 0 CJAERO CCCC[C@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000037260349 173070646 /nfs/dbraw/zinc/07/06/46/173070646.db2.gz NHFYJTYGBBETFG-ZBFHGGJFSA-N 1 0 257.377 4.862 10 0 CJAERO CCCC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccccc1 ZINC000037260351 173070557 /nfs/dbraw/zinc/07/05/57/173070557.db2.gz NHFYJTYGBBETFG-GDBMZVCRSA-N 1 0 257.377 4.862 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037260783 173070605 /nfs/dbraw/zinc/07/06/05/173070605.db2.gz ZGGBDHQBOHHDET-MNOVXSKESA-N 1 0 257.780 4.564 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037260785 173070626 /nfs/dbraw/zinc/07/06/26/173070626.db2.gz ZGGBDHQBOHHDET-QWRGUYRKSA-N 1 0 257.780 4.564 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037260787 173070698 /nfs/dbraw/zinc/07/06/98/173070698.db2.gz ZGGBDHQBOHHDET-GHMZBOCLSA-N 1 0 257.780 4.564 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037260789 173070922 /nfs/dbraw/zinc/07/09/22/173070922.db2.gz ZGGBDHQBOHHDET-WDEREUQCSA-N 1 0 257.780 4.564 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037261032 173070948 /nfs/dbraw/zinc/07/09/48/173070948.db2.gz KNNDNNGQMJXKML-LSDHHAIUSA-N 1 0 263.425 4.561 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037261034 173070726 /nfs/dbraw/zinc/07/07/26/173070726.db2.gz KNNDNNGQMJXKML-GJZGRUSLSA-N 1 0 263.425 4.561 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000037261036 173070510 /nfs/dbraw/zinc/07/05/10/173070510.db2.gz KNNDNNGQMJXKML-HUUCEWRRSA-N 1 0 263.425 4.561 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000037261038 173070472 /nfs/dbraw/zinc/07/04/72/173070472.db2.gz KNNDNNGQMJXKML-CABCVRRESA-N 1 0 263.425 4.561 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000037264286 173073187 /nfs/dbraw/zinc/07/31/87/173073187.db2.gz SJHCZXXUOMNGQT-CABCVRRESA-N 1 0 255.405 4.925 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000037264287 173073485 /nfs/dbraw/zinc/07/34/85/173073485.db2.gz SJHCZXXUOMNGQT-GJZGRUSLSA-N 1 0 255.405 4.925 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000037264288 173073627 /nfs/dbraw/zinc/07/36/27/173073627.db2.gz SJHCZXXUOMNGQT-HUUCEWRRSA-N 1 0 255.405 4.925 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000037264289 173073610 /nfs/dbraw/zinc/07/36/10/173073610.db2.gz SJHCZXXUOMNGQT-LSDHHAIUSA-N 1 0 255.405 4.925 10 0 CJAERO CC[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(C)C ZINC000037271795 173083028 /nfs/dbraw/zinc/08/30/28/173083028.db2.gz HMXTXRLBLQAALW-ABHNRTSZSA-N 1 0 259.437 4.737 10 0 CJAERO CC[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C(C)C ZINC000037271798 173083692 /nfs/dbraw/zinc/08/36/92/173083692.db2.gz HMXTXRLBLQAALW-DAWZGUTISA-N 1 0 259.437 4.737 10 0 CJAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000037271978 173083199 /nfs/dbraw/zinc/08/31/99/173083199.db2.gz GLHYLJRZMUFRES-HZSPNIEDSA-N 1 0 280.481 4.707 10 0 CJAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000037271980 173083214 /nfs/dbraw/zinc/08/32/14/173083214.db2.gz GLHYLJRZMUFRES-MELADBBJSA-N 1 0 280.481 4.707 10 0 CJAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000037271982 173083434 /nfs/dbraw/zinc/08/34/34/173083434.db2.gz GLHYLJRZMUFRES-RDBSUJKOSA-N 1 0 280.481 4.707 10 0 CJAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000037271984 173083687 /nfs/dbraw/zinc/08/36/87/173083687.db2.gz GLHYLJRZMUFRES-IHRRRGAJSA-N 1 0 280.481 4.707 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)c1 ZINC000037272385 333528106 /nfs/dbraw/zinc/52/81/06/333528106.db2.gz FFVMTKGWBAOYGL-OLZOCXBDSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)c1 ZINC000037272387 333528112 /nfs/dbraw/zinc/52/81/12/333528112.db2.gz FFVMTKGWBAOYGL-STQMWFEESA-N 1 0 275.342 4.685 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)c1 ZINC000037272391 333528094 /nfs/dbraw/zinc/52/80/94/333528094.db2.gz FFVMTKGWBAOYGL-QWHCGFSZSA-N 1 0 275.342 4.685 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000037274268 173086338 /nfs/dbraw/zinc/08/63/38/173086338.db2.gz HTYDQLKLFHLUSP-NEPJUHHUSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000037274270 173086392 /nfs/dbraw/zinc/08/63/92/173086392.db2.gz HTYDQLKLFHLUSP-RYUDHWBXSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000037274272 173086236 /nfs/dbraw/zinc/08/62/36/173086236.db2.gz HTYDQLKLFHLUSP-VXGBXAGGSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000037274274 173086454 /nfs/dbraw/zinc/08/64/54/173086454.db2.gz HTYDQLKLFHLUSP-NWDGAFQWSA-N 1 0 271.351 4.517 10 0 CJAERO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccc(F)cc1F ZINC000037277288 173088452 /nfs/dbraw/zinc/08/84/52/173088452.db2.gz ALZMRXHGDPAHLP-RYUDHWBXSA-N 1 0 267.363 4.584 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccc(F)cc1F ZINC000037277290 173088251 /nfs/dbraw/zinc/08/82/51/173088251.db2.gz ALZMRXHGDPAHLP-NWDGAFQWSA-N 1 0 267.363 4.584 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1CCCCC1 ZINC000037277292 173088475 /nfs/dbraw/zinc/08/84/75/173088475.db2.gz ALZMRXHGDPAHLP-NEPJUHHUSA-N 1 0 267.363 4.584 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccc(F)cc1F ZINC000037277293 173088141 /nfs/dbraw/zinc/08/81/41/173088141.db2.gz ALZMRXHGDPAHLP-VXGBXAGGSA-N 1 0 267.363 4.584 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000037277435 333529781 /nfs/dbraw/zinc/52/97/81/333529781.db2.gz PZACTBVKSNGTLB-STQMWFEESA-N 1 0 275.342 4.685 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000037277437 333529864 /nfs/dbraw/zinc/52/98/64/333529864.db2.gz PZACTBVKSNGTLB-CHWSQXEVSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000037277438 333529895 /nfs/dbraw/zinc/52/98/95/333529895.db2.gz PZACTBVKSNGTLB-QWHCGFSZSA-N 1 0 275.342 4.685 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)cc1 ZINC000037279630 333530551 /nfs/dbraw/zinc/53/05/51/333530551.db2.gz OFTPOTOOOYKQHT-CVEARBPZSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)cc1 ZINC000037279632 333530438 /nfs/dbraw/zinc/53/04/38/333530438.db2.gz OFTPOTOOOYKQHT-HOTGVXAUSA-N 1 0 267.416 4.969 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)cc1 ZINC000037279634 333530502 /nfs/dbraw/zinc/53/05/02/333530502.db2.gz OFTPOTOOOYKQHT-HZPDHXFCSA-N 1 0 267.416 4.969 10 0 CJAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000037280987 173089242 /nfs/dbraw/zinc/08/92/42/173089242.db2.gz ADMYNSLNJXOHLU-CVEARBPZSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037280989 173089469 /nfs/dbraw/zinc/08/94/69/173089469.db2.gz ADMYNSLNJXOHLU-HOTGVXAUSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000037280990 173088788 /nfs/dbraw/zinc/08/87/88/173088788.db2.gz ADMYNSLNJXOHLU-HZPDHXFCSA-N 1 0 283.415 4.724 10 0 CJAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037280992 173089092 /nfs/dbraw/zinc/08/90/92/173089092.db2.gz ADMYNSLNJXOHLU-JKSUJKDBSA-N 1 0 283.415 4.724 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1scnc1C)c1ccc(Cl)cc1 ZINC000037283077 173090899 /nfs/dbraw/zinc/09/08/99/173090899.db2.gz VDMYASGRYFTKGU-FZMZJTMJSA-N 1 0 294.851 4.907 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1scnc1C)c1ccc(Cl)cc1 ZINC000037283078 173090825 /nfs/dbraw/zinc/09/08/25/173090825.db2.gz VDMYASGRYFTKGU-SMDDNHRTSA-N 1 0 294.851 4.907 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1scnc1C)c1ccc(Cl)cc1 ZINC000037283079 173090870 /nfs/dbraw/zinc/09/08/70/173090870.db2.gz VDMYASGRYFTKGU-RISCZKNCSA-N 1 0 294.851 4.907 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1scnc1C)c1ccc(Cl)cc1 ZINC000037283080 173091003 /nfs/dbraw/zinc/09/10/03/173091003.db2.gz VDMYASGRYFTKGU-BXUZGUMPSA-N 1 0 294.851 4.907 10 0 CJAERO CC(C)[C@H]([NH2+][C@@H](C)Cc1cccs1)c1ccccc1 ZINC000037291792 173097100 /nfs/dbraw/zinc/09/71/00/173097100.db2.gz LDNIXZXSRQBNAW-YOEHRIQHSA-N 1 0 273.445 4.666 10 0 CJAERO CC(C)[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccccc1 ZINC000037291793 173096945 /nfs/dbraw/zinc/09/69/45/173096945.db2.gz LDNIXZXSRQBNAW-WMLDXEAASA-N 1 0 273.445 4.666 10 0 CJAERO CC(C)[C@H]([NH2+][C@H](C)Cc1cccs1)c1ccccc1 ZINC000037291794 173096835 /nfs/dbraw/zinc/09/68/35/173096835.db2.gz LDNIXZXSRQBNAW-PBHICJAKSA-N 1 0 273.445 4.666 10 0 CJAERO CC(C)[C@@H]([NH2+][C@H](C)Cc1cccs1)c1ccccc1 ZINC000037291795 173097181 /nfs/dbraw/zinc/09/71/81/173097181.db2.gz LDNIXZXSRQBNAW-RHSMWYFYSA-N 1 0 273.445 4.666 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@H](C)c2scnc2C)cc1 ZINC000037292241 173096904 /nfs/dbraw/zinc/09/69/04/173096904.db2.gz VROJKQQQEWVOSC-CMPLNLGQSA-N 1 0 292.473 4.585 10 0 CJAERO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2scnc2C)cc1 ZINC000037292242 173096844 /nfs/dbraw/zinc/09/68/44/173096844.db2.gz VROJKQQQEWVOSC-JQWIXIFHSA-N 1 0 292.473 4.585 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2scnc2C)cc1 ZINC000037292243 173096705 /nfs/dbraw/zinc/09/67/05/173096705.db2.gz VROJKQQQEWVOSC-ZYHUDNBSSA-N 1 0 292.473 4.585 10 0 CJAERO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2scnc2C)cc1 ZINC000037292244 173096772 /nfs/dbraw/zinc/09/67/72/173096772.db2.gz VROJKQQQEWVOSC-PWSUYJOCSA-N 1 0 292.473 4.585 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccc(OC(C)C)c1)C(C)C ZINC000037292819 173097689 /nfs/dbraw/zinc/09/76/89/173097689.db2.gz FLTRDTXQFKWFFJ-YOEHRIQHSA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC(C)C)c1)C(C)C ZINC000037292820 173097303 /nfs/dbraw/zinc/09/73/03/173097303.db2.gz FLTRDTXQFKWFFJ-WMLDXEAASA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccc(OC(C)C)c1)C(C)C ZINC000037292821 173097755 /nfs/dbraw/zinc/09/77/55/173097755.db2.gz FLTRDTXQFKWFFJ-PBHICJAKSA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccc(OC(C)C)c1)C(C)C ZINC000037292822 173097900 /nfs/dbraw/zinc/09/79/00/173097900.db2.gz FLTRDTXQFKWFFJ-RHSMWYFYSA-N 1 0 263.425 4.559 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037294786 173098337 /nfs/dbraw/zinc/09/83/37/173098337.db2.gz WNUUCMREIZBWCH-BPQIPLTHSA-N 1 0 259.437 4.942 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037294788 173098823 /nfs/dbraw/zinc/09/88/23/173098823.db2.gz WNUUCMREIZBWCH-KBAYOESNSA-N 1 0 259.437 4.942 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1scnc1C)c1ccccc1 ZINC000037300144 173106124 /nfs/dbraw/zinc/10/61/24/173106124.db2.gz YZXVBOPAYQDSRC-ZFWWWQNUSA-N 1 0 274.433 4.644 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)c1scnc1C)c1ccccc1 ZINC000037300146 173106333 /nfs/dbraw/zinc/10/63/33/173106333.db2.gz YZXVBOPAYQDSRC-DZGCQCFKSA-N 1 0 274.433 4.644 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)c1scnc1C)c1ccccc1 ZINC000037300148 173106191 /nfs/dbraw/zinc/10/61/91/173106191.db2.gz YZXVBOPAYQDSRC-HIFRSBDPSA-N 1 0 274.433 4.644 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)c1scnc1C)c1ccccc1 ZINC000037300150 173106422 /nfs/dbraw/zinc/10/64/22/173106422.db2.gz YZXVBOPAYQDSRC-UKRRQHHQSA-N 1 0 274.433 4.644 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037301760 173107573 /nfs/dbraw/zinc/10/75/73/173107573.db2.gz JUDSYIQQCZJTNH-CABCVRRESA-N 1 0 259.437 4.795 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037301762 173106990 /nfs/dbraw/zinc/10/69/90/173106990.db2.gz JUDSYIQQCZJTNH-GJZGRUSLSA-N 1 0 259.437 4.795 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000037301764 173107615 /nfs/dbraw/zinc/10/76/15/173107615.db2.gz JUDSYIQQCZJTNH-HUUCEWRRSA-N 1 0 259.437 4.795 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000037301766 173106971 /nfs/dbraw/zinc/10/69/71/173106971.db2.gz JUDSYIQQCZJTNH-LSDHHAIUSA-N 1 0 259.437 4.795 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(C)C ZINC000037301768 173107477 /nfs/dbraw/zinc/10/74/77/173107477.db2.gz HBLGUNGZDZEWCO-KSSFIOAISA-N 1 0 259.437 4.651 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(C)C ZINC000037301770 173107189 /nfs/dbraw/zinc/10/71/89/173107189.db2.gz HBLGUNGZDZEWCO-KBXCAEBGSA-N 1 0 259.437 4.651 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)C(C)C ZINC000037301772 173107023 /nfs/dbraw/zinc/10/70/23/173107023.db2.gz HBLGUNGZDZEWCO-KDOFPFPSSA-N 1 0 259.437 4.651 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)C(C)C ZINC000037301774 173107041 /nfs/dbraw/zinc/10/70/41/173107041.db2.gz HBLGUNGZDZEWCO-RDTXWAMCSA-N 1 0 259.437 4.651 10 0 CJAERO CSCc1ccc(C[NH2+][C@H](c2cccs2)C(C)C)o1 ZINC000037302743 173108037 /nfs/dbraw/zinc/10/80/37/173108037.db2.gz OVGATNWCFJDXQD-HNNXBMFYSA-N 1 0 295.473 4.691 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037304744 173109496 /nfs/dbraw/zinc/10/94/96/173109496.db2.gz PQVKGKBPAXKTSC-NEPJUHHUSA-N 1 0 273.342 4.935 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037304745 173109600 /nfs/dbraw/zinc/10/96/00/173109600.db2.gz PQVKGKBPAXKTSC-RYUDHWBXSA-N 1 0 273.342 4.935 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037304746 173109516 /nfs/dbraw/zinc/10/95/16/173109516.db2.gz PQVKGKBPAXKTSC-VXGBXAGGSA-N 1 0 273.342 4.935 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037304747 173109711 /nfs/dbraw/zinc/10/97/11/173109711.db2.gz PQVKGKBPAXKTSC-NWDGAFQWSA-N 1 0 273.342 4.935 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000037305908 326844649 /nfs/dbraw/zinc/84/46/49/326844649.db2.gz PSDZVRLLLINVCN-LRVUVFPRSA-N 1 0 285.353 4.767 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000037305997 173110558 /nfs/dbraw/zinc/11/05/58/173110558.db2.gz ILLSPJZGJZZYBM-FPMFFAJLSA-N 1 0 277.374 4.666 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000037305998 173110638 /nfs/dbraw/zinc/11/06/38/173110638.db2.gz ILLSPJZGJZZYBM-KWCYVHTRSA-N 1 0 277.374 4.666 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000037305999 173110595 /nfs/dbraw/zinc/11/05/95/173110595.db2.gz ILLSPJZGJZZYBM-UBHSHLNASA-N 1 0 277.374 4.666 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000037306000 173110427 /nfs/dbraw/zinc/11/04/27/173110427.db2.gz ILLSPJZGJZZYBM-XBFCOCLRSA-N 1 0 277.374 4.666 10 0 CJAERO C[C@@H](C[C@H]([NH3+])c1c(F)cc(F)cc1F)CC(C)(C)C ZINC000037307044 173110372 /nfs/dbraw/zinc/11/03/72/173110372.db2.gz ZTMZNJXEILOVLD-ZANVPECISA-N 1 0 273.342 4.566 10 0 CJAERO C[C@H](C[C@H]([NH3+])c1c(F)cc(F)cc1F)CC(C)(C)C ZINC000037307045 173110212 /nfs/dbraw/zinc/11/02/12/173110212.db2.gz ZTMZNJXEILOVLD-RNCFNFMXSA-N 1 0 273.342 4.566 10 0 CJAERO C[C@@H](C[C@@H]([NH3+])c1c(F)cc(F)cc1F)CC(C)(C)C ZINC000037307046 173110596 /nfs/dbraw/zinc/11/05/96/173110596.db2.gz ZTMZNJXEILOVLD-TVQRCGJNSA-N 1 0 273.342 4.566 10 0 CJAERO C[C@H](C[C@@H]([NH3+])c1c(F)cc(F)cc1F)CC(C)(C)C ZINC000037307047 173110483 /nfs/dbraw/zinc/11/04/83/173110483.db2.gz ZTMZNJXEILOVLD-NOZJJQNGSA-N 1 0 273.342 4.566 10 0 CJAERO COc1ccc([C@@H]([NH3+])C[C@H](C)CC(C)(C)C)cc1Cl ZINC000037307072 173110131 /nfs/dbraw/zinc/11/01/31/173110131.db2.gz BUGGBNWFOMCPHC-FZMZJTMJSA-N 1 0 283.843 4.811 10 0 CJAERO COc1ccc([C@@H]([NH3+])C[C@@H](C)CC(C)(C)C)cc1Cl ZINC000037307073 173110311 /nfs/dbraw/zinc/11/03/11/173110311.db2.gz BUGGBNWFOMCPHC-RISCZKNCSA-N 1 0 283.843 4.811 10 0 CJAERO COc1ccc([C@H]([NH3+])C[C@H](C)CC(C)(C)C)cc1Cl ZINC000037307074 173110564 /nfs/dbraw/zinc/11/05/64/173110564.db2.gz BUGGBNWFOMCPHC-SMDDNHRTSA-N 1 0 283.843 4.811 10 0 CJAERO COc1ccc([C@H]([NH3+])C[C@@H](C)CC(C)(C)C)cc1Cl ZINC000037307075 173110536 /nfs/dbraw/zinc/11/05/36/173110536.db2.gz BUGGBNWFOMCPHC-BXUZGUMPSA-N 1 0 283.843 4.811 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037312639 173114997 /nfs/dbraw/zinc/11/49/97/173114997.db2.gz AFCYPLSJCMYAPF-OAHLLOKOSA-N 1 0 277.477 4.779 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037312640 173114918 /nfs/dbraw/zinc/11/49/18/173114918.db2.gz AFCYPLSJCMYAPF-HNNXBMFYSA-N 1 0 277.477 4.779 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000037313320 173114698 /nfs/dbraw/zinc/11/46/98/173114698.db2.gz BZLIPBCSRZIEHL-JKSUJKDBSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000037313321 173114721 /nfs/dbraw/zinc/11/47/21/173114721.db2.gz BZLIPBCSRZIEHL-HOTGVXAUSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)C2CCCCC2)c1 ZINC000037313322 173114631 /nfs/dbraw/zinc/11/46/31/173114631.db2.gz BZLIPBCSRZIEHL-HZPDHXFCSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)C2CCCCC2)c1 ZINC000037313323 173115217 /nfs/dbraw/zinc/11/52/17/173115217.db2.gz BZLIPBCSRZIEHL-CVEARBPZSA-N 1 0 259.437 4.923 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21)C(C)C ZINC000037314214 173115873 /nfs/dbraw/zinc/11/58/73/173115873.db2.gz JJTXAKXOQMJBJZ-LSDHHAIUSA-N 1 0 263.425 4.626 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21)C(C)C ZINC000037314215 173115697 /nfs/dbraw/zinc/11/56/97/173115697.db2.gz JJTXAKXOQMJBJZ-HUUCEWRRSA-N 1 0 263.425 4.626 10 0 CJAERO CC[C@H]([NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21)C(C)C ZINC000037314216 173115546 /nfs/dbraw/zinc/11/55/46/173115546.db2.gz JJTXAKXOQMJBJZ-GJZGRUSLSA-N 1 0 263.425 4.626 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21)C(C)C ZINC000037314217 173115932 /nfs/dbraw/zinc/11/59/32/173115932.db2.gz JJTXAKXOQMJBJZ-CABCVRRESA-N 1 0 263.425 4.626 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000037316049 173117612 /nfs/dbraw/zinc/11/76/12/173117612.db2.gz XUUDVAHFNUGKPO-XJKSGUPXSA-N 1 0 275.461 4.782 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000037316050 173117521 /nfs/dbraw/zinc/11/75/21/173117521.db2.gz XUUDVAHFNUGKPO-CZUORRHYSA-N 1 0 275.461 4.782 10 0 CJAERO C[C@H]([NH2+][C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000037316051 173117724 /nfs/dbraw/zinc/11/77/24/173117724.db2.gz XUUDVAHFNUGKPO-BBRMVZONSA-N 1 0 275.461 4.782 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000037316052 173117445 /nfs/dbraw/zinc/11/74/45/173117445.db2.gz XUUDVAHFNUGKPO-CJNGLKHVSA-N 1 0 275.461 4.782 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000037318761 173118949 /nfs/dbraw/zinc/11/89/49/173118949.db2.gz BZWCTFZGHPPFJS-KWCYVHTRSA-N 1 0 277.374 4.666 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000037318763 173119069 /nfs/dbraw/zinc/11/90/69/173119069.db2.gz BZWCTFZGHPPFJS-XBFCOCLRSA-N 1 0 277.374 4.666 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000037318771 333531849 /nfs/dbraw/zinc/53/18/49/333531849.db2.gz OAVJOLBAYVKIPL-QEJZJMRPSA-N 1 0 285.353 4.767 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)s1 ZINC000037335532 173136848 /nfs/dbraw/zinc/13/68/48/173136848.db2.gz JQTQHVHXEPDFCF-NSHDSACASA-N 1 0 285.334 4.844 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)s1 ZINC000037335534 173136376 /nfs/dbraw/zinc/13/63/76/173136376.db2.gz JQTQHVHXEPDFCF-LLVKDONJSA-N 1 0 285.334 4.844 10 0 CJAERO CCCc1ccc(-c2ccc([C@H]([NH3+])C3CC3)s2)cc1 ZINC000037335578 173136790 /nfs/dbraw/zinc/13/67/90/173136790.db2.gz MCJMISSIOSXQAO-QGZVFWFLSA-N 1 0 271.429 4.777 10 0 CJAERO CCCc1ccc(-c2ccc([C@@H]([NH3+])C3CC3)s2)cc1 ZINC000037335580 173136702 /nfs/dbraw/zinc/13/67/02/173136702.db2.gz MCJMISSIOSXQAO-KRWDZBQOSA-N 1 0 271.429 4.777 10 0 CJAERO CCC[C@H]([NH3+])c1ccc(-c2ccc(F)c(F)c2F)s1 ZINC000037335638 173136799 /nfs/dbraw/zinc/13/67/99/173136799.db2.gz JVCOYLJCSPUVGP-JTQLQIEISA-N 1 0 285.334 4.632 10 0 CJAERO CCC[C@@H]([NH3+])c1ccc(-c2ccc(F)c(F)c2F)s1 ZINC000037335640 173136810 /nfs/dbraw/zinc/13/68/10/173136810.db2.gz JVCOYLJCSPUVGP-SNVBAGLBSA-N 1 0 285.334 4.632 10 0 CJAERO CCC[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000037335646 173136806 /nfs/dbraw/zinc/13/68/06/173136806.db2.gz CHCJVLCIKVGJQU-HNNXBMFYSA-N 1 0 271.429 4.704 10 0 CJAERO CCC[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000037335648 173137065 /nfs/dbraw/zinc/13/70/65/173137065.db2.gz CHCJVLCIKVGJQU-OAHLLOKOSA-N 1 0 271.429 4.704 10 0 CJAERO CC(C)c1ccc(-c2ccc([C@H]([NH3+])C3CC3)s2)cc1 ZINC000037335662 173136915 /nfs/dbraw/zinc/13/69/15/173136915.db2.gz UQWTZHDPSMIBAR-QGZVFWFLSA-N 1 0 271.429 4.948 10 0 CJAERO CC(C)c1ccc(-c2ccc([C@@H]([NH3+])C3CC3)s2)cc1 ZINC000037335664 173137077 /nfs/dbraw/zinc/13/70/77/173137077.db2.gz UQWTZHDPSMIBAR-KRWDZBQOSA-N 1 0 271.429 4.948 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])C1CCCCC1 ZINC000037367325 173156639 /nfs/dbraw/zinc/15/66/39/173156639.db2.gz SRHIIYIKCUTKGE-MRXNPFEDSA-N 1 0 257.377 4.630 10 0 CJAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])C1CCCCC1 ZINC000037367327 173156961 /nfs/dbraw/zinc/15/69/61/173156961.db2.gz SRHIIYIKCUTKGE-INIZCTEOSA-N 1 0 257.377 4.630 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000037377581 173166501 /nfs/dbraw/zinc/16/65/01/173166501.db2.gz KDEABXKJERKYRR-CYBMUJFWSA-N 1 0 258.192 4.574 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000037377583 173166318 /nfs/dbraw/zinc/16/63/18/173166318.db2.gz KDEABXKJERKYRR-ZDUSSCGKSA-N 1 0 258.192 4.574 10 0 CJAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000037377657 173166114 /nfs/dbraw/zinc/16/61/14/173166114.db2.gz DFFSQIWPDIZAEQ-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000037377660 173166003 /nfs/dbraw/zinc/16/60/03/173166003.db2.gz DFFSQIWPDIZAEQ-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000037377680 173166441 /nfs/dbraw/zinc/16/64/41/173166441.db2.gz LBAMBJHOPYYLSS-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000037377683 173165894 /nfs/dbraw/zinc/16/58/94/173165894.db2.gz LBAMBJHOPYYLSS-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO CC(C)(c1ccccc1)[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377914 173166498 /nfs/dbraw/zinc/16/64/98/173166498.db2.gz GAGXYIMDBWAKMW-OAHLLOKOSA-N 1 0 294.225 4.971 10 0 CJAERO CC(C)(c1ccccc1)[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377917 173165902 /nfs/dbraw/zinc/16/59/02/173165902.db2.gz GAGXYIMDBWAKMW-HNNXBMFYSA-N 1 0 294.225 4.971 10 0 CJAERO [NH3+][C@@H](c1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000037378356 173166245 /nfs/dbraw/zinc/16/62/45/173166245.db2.gz JKMPLSAALKTONV-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000037378359 173165920 /nfs/dbraw/zinc/16/59/20/173165920.db2.gz JKMPLSAALKTONV-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@@H](c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000037378379 173166083 /nfs/dbraw/zinc/16/60/83/173166083.db2.gz CCNNFVXRTOJDGB-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000037378382 173166416 /nfs/dbraw/zinc/16/64/16/173166416.db2.gz CCNNFVXRTOJDGB-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO Cc1ccccc1C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378606 173166080 /nfs/dbraw/zinc/16/60/80/173166080.db2.gz RAKWVJYXYOQPFW-HNNXBMFYSA-N 1 0 280.198 4.544 10 0 CJAERO Cc1ccccc1C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037378609 173167118 /nfs/dbraw/zinc/16/71/18/173167118.db2.gz RAKWVJYXYOQPFW-OAHLLOKOSA-N 1 0 280.198 4.544 10 0 CJAERO [NH3+][C@H](CCC1CCCC1)c1cc(Cl)ccc1Cl ZINC000037378688 173166896 /nfs/dbraw/zinc/16/68/96/173166896.db2.gz JUXWQNSIAMGBTI-CQSZACIVSA-N 1 0 272.219 4.964 10 0 CJAERO [NH3+][C@@H](CCC1CCCC1)c1cc(Cl)ccc1Cl ZINC000037378692 173167153 /nfs/dbraw/zinc/16/71/53/173167153.db2.gz JUXWQNSIAMGBTI-AWEZNQCLSA-N 1 0 272.219 4.964 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)sc2Cl)cc1F ZINC000037379123 173166958 /nfs/dbraw/zinc/16/69/58/173166958.db2.gz GLPYYABAOXDUBM-NSHDSACASA-N 1 0 290.190 4.551 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)cc1F ZINC000037379126 173167115 /nfs/dbraw/zinc/16/71/15/173167115.db2.gz GLPYYABAOXDUBM-LLVKDONJSA-N 1 0 290.190 4.551 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)sc2Cl)c(C)c1 ZINC000037379209 173166868 /nfs/dbraw/zinc/16/68/68/173166868.db2.gz WARHEGMWGCQNAQ-LBPRGKRZSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)c(C)c1 ZINC000037379211 173167333 /nfs/dbraw/zinc/16/73/33/173167333.db2.gz WARHEGMWGCQNAQ-GFCCVEGCSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)sc2Cl)cc1C ZINC000037379305 173167421 /nfs/dbraw/zinc/16/74/21/173167421.db2.gz IZZBMVIUCGHZMB-LBPRGKRZSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)cc1C ZINC000037379308 173167128 /nfs/dbraw/zinc/16/71/28/173167128.db2.gz IZZBMVIUCGHZMB-GFCCVEGCSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1ccc(C[C@H]([NH3+])c2cc(Cl)sc2Cl)cc1 ZINC000037379369 173167383 /nfs/dbraw/zinc/16/73/83/173167383.db2.gz KZKJDUGEKVJBFD-NSHDSACASA-N 1 0 286.227 4.606 10 0 CJAERO Cc1ccc(C[C@@H]([NH3+])c2cc(Cl)sc2Cl)cc1 ZINC000037379372 173166916 /nfs/dbraw/zinc/16/69/16/173166916.db2.gz KZKJDUGEKVJBFD-LLVKDONJSA-N 1 0 286.227 4.606 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)sc2Cl)cc1 ZINC000037379489 173167390 /nfs/dbraw/zinc/16/73/90/173167390.db2.gz GBNZIQFLSNCBSE-LBPRGKRZSA-N 1 0 286.227 4.665 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)cc1 ZINC000037379492 173167108 /nfs/dbraw/zinc/16/71/08/173167108.db2.gz GBNZIQFLSNCBSE-GFCCVEGCSA-N 1 0 286.227 4.665 10 0 CJAERO Cc1ccccc1C[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379527 173166911 /nfs/dbraw/zinc/16/69/11/173166911.db2.gz ZEIQPQGQXURBDY-NSHDSACASA-N 1 0 286.227 4.606 10 0 CJAERO Cc1ccccc1C[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037379530 173166988 /nfs/dbraw/zinc/16/69/88/173166988.db2.gz ZEIQPQGQXURBDY-LLVKDONJSA-N 1 0 286.227 4.606 10 0 CJAERO Cc1cc(C)cc([C@H]([NH3+])c2cc(Cl)sc2Cl)c1 ZINC000037379632 173167407 /nfs/dbraw/zinc/16/74/07/173167407.db2.gz KCTRAKYRTAYYRU-LBPRGKRZSA-N 1 0 286.227 4.720 10 0 CJAERO Cc1cc(C)cc([C@@H]([NH3+])c2cc(Cl)sc2Cl)c1 ZINC000037379636 173167156 /nfs/dbraw/zinc/16/71/56/173167156.db2.gz KCTRAKYRTAYYRU-GFCCVEGCSA-N 1 0 286.227 4.720 10 0 CJAERO CC(C)c1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000037409585 173185850 /nfs/dbraw/zinc/18/58/50/173185850.db2.gz LUZKKQYOOCSMKF-INIZCTEOSA-N 1 0 259.780 4.512 10 0 CJAERO CC(C)c1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000037409586 173185645 /nfs/dbraw/zinc/18/56/45/173185645.db2.gz LUZKKQYOOCSMKF-MRXNPFEDSA-N 1 0 259.780 4.512 10 0 CJAERO CCC[C@@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037414203 173191145 /nfs/dbraw/zinc/19/11/45/173191145.db2.gz SHVWIFZUVOVLIS-IUODEOHRSA-N 1 0 251.439 4.758 10 0 CJAERO CCC[C@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037414205 173190918 /nfs/dbraw/zinc/19/09/18/173190918.db2.gz SHVWIFZUVOVLIS-SWLSCSKDSA-N 1 0 251.439 4.758 10 0 CJAERO CCC[C@@H](C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037414207 173190925 /nfs/dbraw/zinc/19/09/25/173190925.db2.gz SHVWIFZUVOVLIS-DOMZBBRYSA-N 1 0 251.439 4.758 10 0 CJAERO CCC[C@H](C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037414209 173191330 /nfs/dbraw/zinc/19/13/30/173191330.db2.gz SHVWIFZUVOVLIS-WFASDCNBSA-N 1 0 251.439 4.758 10 0 CJAERO CCC(CC)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037414219 173191337 /nfs/dbraw/zinc/19/13/37/173191337.db2.gz OAGOEZVGXZBRAK-OAHLLOKOSA-N 1 0 251.439 4.758 10 0 CJAERO CCC(CC)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037414221 173191079 /nfs/dbraw/zinc/19/10/79/173191079.db2.gz OAGOEZVGXZBRAK-HNNXBMFYSA-N 1 0 251.439 4.758 10 0 CJAERO CCC(CC)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037414404 173191234 /nfs/dbraw/zinc/19/12/34/173191234.db2.gz CCAJRIMVYWGLCA-OAHLLOKOSA-N 1 0 251.801 4.569 10 0 CJAERO CCC(CC)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037414406 173190940 /nfs/dbraw/zinc/19/09/40/173190940.db2.gz CCAJRIMVYWGLCA-HNNXBMFYSA-N 1 0 251.801 4.569 10 0 CJAERO Clc1cc(Cl)cc(C[NH2+]CCC2=CCCCC2)c1 ZINC000037423524 173198982 /nfs/dbraw/zinc/19/89/82/173198982.db2.gz KLBBREXXJUIRBL-UHFFFAOYSA-N 1 0 284.230 4.974 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2cccc(C(C)(C)C)c2)cc1 ZINC000037428877 173200018 /nfs/dbraw/zinc/20/00/18/173200018.db2.gz RMJGYCBNJIQYJK-ZDUSSCGKSA-N 1 0 269.388 4.796 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Oc2cccc(C(C)(C)C)c2)cc1 ZINC000037428878 173200021 /nfs/dbraw/zinc/20/00/21/173200021.db2.gz RMJGYCBNJIQYJK-CYBMUJFWSA-N 1 0 269.388 4.796 10 0 CJAERO Cc1cc(Cl)c(C(C)C)cc1OCCC[NH2+]C(C)C ZINC000037429158 173200060 /nfs/dbraw/zinc/20/00/60/173200060.db2.gz GKHMETBIGCZNSE-UHFFFAOYSA-N 1 0 283.843 4.539 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000037467463 173227457 /nfs/dbraw/zinc/22/74/57/173227457.db2.gz ZOSVOMZOVMWMTO-ZETCQYMHSA-N 1 0 272.200 4.742 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000037467465 173227138 /nfs/dbraw/zinc/22/71/38/173227138.db2.gz ZOSVOMZOVMWMTO-SSDOTTSWSA-N 1 0 272.200 4.742 10 0 CJAERO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)cc1Cl ZINC000037467842 173227178 /nfs/dbraw/zinc/22/71/78/173227178.db2.gz IXQDGQQBEOALCN-UWVGGRQHSA-N 1 0 272.219 4.833 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)cc1Cl ZINC000037467844 173227650 /nfs/dbraw/zinc/22/76/50/173227650.db2.gz IXQDGQQBEOALCN-ZJUUUORDSA-N 1 0 272.219 4.833 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C1(C)CC1 ZINC000037467846 173227309 /nfs/dbraw/zinc/22/73/09/173227309.db2.gz IXQDGQQBEOALCN-VHSXEESVSA-N 1 0 272.219 4.833 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(Cl)cc1Cl ZINC000037467848 173227027 /nfs/dbraw/zinc/22/70/27/173227027.db2.gz IXQDGQQBEOALCN-NXEZZACHSA-N 1 0 272.219 4.833 10 0 CJAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000037487149 333533405 /nfs/dbraw/zinc/53/34/05/333533405.db2.gz YRVKAVYKEZZQRL-CYBMUJFWSA-N 1 0 291.822 4.982 10 0 CJAERO C[C@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ccco1 ZINC000037506799 173241604 /nfs/dbraw/zinc/24/16/04/173241604.db2.gz FNKGDRVIJMDFDC-HIFPTAJRSA-N 1 0 275.779 4.530 10 0 CJAERO C[C@@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ccco1 ZINC000037506800 173241513 /nfs/dbraw/zinc/24/15/13/173241513.db2.gz FNKGDRVIJMDFDC-PNESKVBLSA-N 1 0 275.779 4.530 10 0 CJAERO C[C@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000037506813 173241447 /nfs/dbraw/zinc/24/14/47/173241447.db2.gz CRLDYXLWVQMLJK-ZOODHJKOSA-N 1 0 275.779 4.530 10 0 CJAERO C[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccco1 ZINC000037506814 173241668 /nfs/dbraw/zinc/24/16/68/173241668.db2.gz CRLDYXLWVQMLJK-NUYPLMSZSA-N 1 0 275.779 4.530 10 0 CJAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1ccco1 ZINC000037506821 173241311 /nfs/dbraw/zinc/24/13/11/173241311.db2.gz WRSJEBGTUMGOQX-ZOODHJKOSA-N 1 0 275.779 4.530 10 0 CJAERO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1ccco1 ZINC000037506822 173241399 /nfs/dbraw/zinc/24/13/99/173241399.db2.gz WRSJEBGTUMGOQX-NUYPLMSZSA-N 1 0 275.779 4.530 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)c(C)c1 ZINC000037507803 333534247 /nfs/dbraw/zinc/53/42/47/333534247.db2.gz LJFVRWRQTVIJQO-ZIAGYGMSSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)c(C)c1 ZINC000037507804 333534473 /nfs/dbraw/zinc/53/44/73/333534473.db2.gz LJFVRWRQTVIJQO-UONOGXRCSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(C)c1 ZINC000037508053 333534428 /nfs/dbraw/zinc/53/44/28/333534428.db2.gz GEAOZILYVKDUDI-ZIAGYGMSSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c(C)c1 ZINC000037508054 333534487 /nfs/dbraw/zinc/53/44/87/333534487.db2.gz GEAOZILYVKDUDI-UONOGXRCSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000037508069 333534267 /nfs/dbraw/zinc/53/42/67/333534267.db2.gz BZTALBBZIIMUPA-KBPBESRZSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000037508071 333534258 /nfs/dbraw/zinc/53/42/58/333534258.db2.gz BZTALBBZIIMUPA-KGLIPLIRSA-N 1 0 289.369 4.993 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000037508174 333534384 /nfs/dbraw/zinc/53/43/84/333534384.db2.gz JSDRUXLSITWYBK-LSDHHAIUSA-N 1 0 257.377 4.617 10 0 CJAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000037509856 173243318 /nfs/dbraw/zinc/24/33/18/173243318.db2.gz XRLGTEMLHWWWHB-CYBMUJFWSA-N 1 0 257.377 4.725 10 0 CJAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CCCCC1 ZINC000037509858 173243509 /nfs/dbraw/zinc/24/35/09/173243509.db2.gz XRLGTEMLHWWWHB-ZDUSSCGKSA-N 1 0 257.377 4.725 10 0 CJAERO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000037509878 173243285 /nfs/dbraw/zinc/24/32/85/173243285.db2.gz RIRNMHRDVDSRGM-ROUUACIJSA-N 1 0 257.421 4.635 10 0 CJAERO c1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000037509880 173243780 /nfs/dbraw/zinc/24/37/80/173243780.db2.gz RIRNMHRDVDSRGM-MSOLQXFVSA-N 1 0 257.421 4.635 10 0 CJAERO c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000037509882 173243573 /nfs/dbraw/zinc/24/35/73/173243573.db2.gz RIRNMHRDVDSRGM-ZWKOTPCHSA-N 1 0 257.421 4.635 10 0 CJAERO c1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCCCC2)cc1 ZINC000037509884 173243782 /nfs/dbraw/zinc/24/37/82/173243782.db2.gz RIRNMHRDVDSRGM-QZTJIDSGSA-N 1 0 257.421 4.635 10 0 CJAERO CCC(C)(C)C1CCC([NH3+])(c2ccc(C)cc2)CC1 ZINC000037529450 173252800 /nfs/dbraw/zinc/25/28/00/173252800.db2.gz RHRRHEGSVBNXAN-UHFFFAOYSA-N 1 0 259.437 4.775 10 0 CJAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ccccc1Cl ZINC000037530117 173252733 /nfs/dbraw/zinc/25/27/33/173252733.db2.gz RVBNSNUXGODQPZ-FRFSOERESA-N 1 0 279.855 4.672 10 0 CJAERO CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1ccccc1Cl ZINC000037530118 173252791 /nfs/dbraw/zinc/25/27/91/173252791.db2.gz RVBNSNUXGODQPZ-YSVLISHTSA-N 1 0 279.855 4.672 10 0 CJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ccccc1Cl ZINC000037530119 173253062 /nfs/dbraw/zinc/25/30/62/173253062.db2.gz RVBNSNUXGODQPZ-UKPHBRMFSA-N 1 0 279.855 4.672 10 0 CJAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1ccccc1Cl ZINC000037530120 173252875 /nfs/dbraw/zinc/25/28/75/173252875.db2.gz RVBNSNUXGODQPZ-JLJPHGGASA-N 1 0 279.855 4.672 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])Cc1ccc(Cl)cc1 ZINC000037530736 173252803 /nfs/dbraw/zinc/25/28/03/173252803.db2.gz KTNUZFNWLAWHIN-RDJZCZTQSA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])Cc1ccc(Cl)cc1 ZINC000037530737 173252929 /nfs/dbraw/zinc/25/29/29/173252929.db2.gz KTNUZFNWLAWHIN-WBVHZDCISA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])Cc1ccc(Cl)cc1 ZINC000037530738 173252681 /nfs/dbraw/zinc/25/26/81/173252681.db2.gz KTNUZFNWLAWHIN-DOTOQJQBSA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])Cc1ccc(Cl)cc1 ZINC000037530739 173252904 /nfs/dbraw/zinc/25/29/04/173252904.db2.gz KTNUZFNWLAWHIN-NVXWUHKLSA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])Cc1cccc(Cl)c1 ZINC000037530744 173253000 /nfs/dbraw/zinc/25/30/00/173253000.db2.gz FAOANZVBQFLTHM-RDJZCZTQSA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])Cc1cccc(Cl)c1 ZINC000037530745 173252756 /nfs/dbraw/zinc/25/27/56/173252756.db2.gz FAOANZVBQFLTHM-WBVHZDCISA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])Cc1cccc(Cl)c1 ZINC000037530746 173253027 /nfs/dbraw/zinc/25/30/27/173253027.db2.gz FAOANZVBQFLTHM-DOTOQJQBSA-N 1 0 279.855 4.816 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])Cc1cccc(Cl)c1 ZINC000037530747 173252849 /nfs/dbraw/zinc/25/28/49/173252849.db2.gz FAOANZVBQFLTHM-NVXWUHKLSA-N 1 0 279.855 4.816 10 0 CJAERO CCC[C@@]([NH3+])(Cc1ccccc1Cl)c1ccccc1 ZINC000037531620 173253218 /nfs/dbraw/zinc/25/32/18/173253218.db2.gz LWGCXPYYGCFASQ-QGZVFWFLSA-N 1 0 273.807 4.537 10 0 CJAERO CCC[C@]([NH3+])(Cc1ccccc1Cl)c1ccccc1 ZINC000037531621 173253462 /nfs/dbraw/zinc/25/34/62/173253462.db2.gz LWGCXPYYGCFASQ-KRWDZBQOSA-N 1 0 273.807 4.537 10 0 CJAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000037533629 173254613 /nfs/dbraw/zinc/25/46/13/173254613.db2.gz SFCFGNDZFMTNAV-INIZCTEOSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000037533630 173254576 /nfs/dbraw/zinc/25/45/76/173254576.db2.gz SFCFGNDZFMTNAV-MRXNPFEDSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037534090 173254673 /nfs/dbraw/zinc/25/46/73/173254673.db2.gz YMMCKXCEKXCSNP-INIZCTEOSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037534091 173254657 /nfs/dbraw/zinc/25/46/57/173254657.db2.gz YMMCKXCEKXCSNP-MRXNPFEDSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000037534092 173254527 /nfs/dbraw/zinc/25/45/27/173254527.db2.gz CJNBOLJOHIDUIF-INIZCTEOSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000037534093 173254336 /nfs/dbraw/zinc/25/43/36/173254336.db2.gz CJNBOLJOHIDUIF-MRXNPFEDSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1cccc(Cl)c1 ZINC000037534100 173254685 /nfs/dbraw/zinc/25/46/85/173254685.db2.gz QJOFIJODZKPOQC-KRWDZBQOSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1cccc(Cl)c1 ZINC000037534101 173254531 /nfs/dbraw/zinc/25/45/31/173254531.db2.gz QJOFIJODZKPOQC-QGZVFWFLSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1cccc(Cl)c1 ZINC000037534110 173254692 /nfs/dbraw/zinc/25/46/92/173254692.db2.gz LWBZQRWJANQJRJ-KRWDZBQOSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1cccc(Cl)c1 ZINC000037534111 173254453 /nfs/dbraw/zinc/25/44/53/173254453.db2.gz LWBZQRWJANQJRJ-QGZVFWFLSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@@H](CCc1ccccc1)c1cccc(Cl)c1 ZINC000037534118 173254544 /nfs/dbraw/zinc/25/45/44/173254544.db2.gz UCCWWTNDQVNVFN-KRWDZBQOSA-N 1 0 273.807 4.623 10 0 CJAERO CC[NH2+][C@H](CCc1ccccc1)c1cccc(Cl)c1 ZINC000037534119 173254595 /nfs/dbraw/zinc/25/45/95/173254595.db2.gz UCCWWTNDQVNVFN-QGZVFWFLSA-N 1 0 273.807 4.623 10 0 CJAERO CCC[NH2+][C@@H](c1cccc(C)c1)c1cccc(Cl)c1 ZINC000037534148 173254485 /nfs/dbraw/zinc/25/44/85/173254485.db2.gz QWCMWPWTNPEDNN-KRWDZBQOSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@H](c1cccc(C)c1)c1cccc(Cl)c1 ZINC000037534149 173254554 /nfs/dbraw/zinc/25/45/54/173254554.db2.gz QWCMWPWTNPEDNN-QGZVFWFLSA-N 1 0 273.807 4.737 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cccc(C)c1 ZINC000037534829 173254628 /nfs/dbraw/zinc/25/46/28/173254628.db2.gz DEBITVJDWYDGRG-KRWDZBQOSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccc(C)c1 ZINC000037534830 173254630 /nfs/dbraw/zinc/25/46/30/173254630.db2.gz DEBITVJDWYDGRG-QGZVFWFLSA-N 1 0 273.807 4.542 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000037534843 173254508 /nfs/dbraw/zinc/25/45/08/173254508.db2.gz WFZUZRHLAYGRFS-KRWDZBQOSA-N 1 0 279.855 4.831 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000037534844 173254664 /nfs/dbraw/zinc/25/46/64/173254664.db2.gz WFZUZRHLAYGRFS-QGZVFWFLSA-N 1 0 279.855 4.831 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000037535499 173255006 /nfs/dbraw/zinc/25/50/06/173255006.db2.gz LBOSJIUIDWDQOT-HNNXBMFYSA-N 1 0 286.246 4.704 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000037535500 173255189 /nfs/dbraw/zinc/25/51/89/173255189.db2.gz LBOSJIUIDWDQOT-OAHLLOKOSA-N 1 0 286.246 4.704 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000037535517 173255074 /nfs/dbraw/zinc/25/50/74/173255074.db2.gz LGVXLXJTHDYBTP-HNNXBMFYSA-N 1 0 298.188 4.636 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000037535518 173255025 /nfs/dbraw/zinc/25/50/25/173255025.db2.gz LGVXLXJTHDYBTP-OAHLLOKOSA-N 1 0 298.188 4.636 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1C ZINC000037535541 173255001 /nfs/dbraw/zinc/25/50/01/173255001.db2.gz RQRNCBYMFASSTR-MRXNPFEDSA-N 1 0 294.225 4.805 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1C ZINC000037535542 173254888 /nfs/dbraw/zinc/25/48/88/173254888.db2.gz RQRNCBYMFASSTR-INIZCTEOSA-N 1 0 294.225 4.805 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000037535600 173255286 /nfs/dbraw/zinc/25/52/86/173255286.db2.gz AOMIFMGAUXVVSF-AWEZNQCLSA-N 1 0 274.235 4.560 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000037535601 173255300 /nfs/dbraw/zinc/25/53/00/173255300.db2.gz AOMIFMGAUXVVSF-CQSZACIVSA-N 1 0 274.235 4.560 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1cccc(C)c1 ZINC000037535731 173254965 /nfs/dbraw/zinc/25/49/65/173254965.db2.gz NXEXOTNMCXHLDY-KRWDZBQOSA-N 1 0 273.807 4.542 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1cccc(C)c1 ZINC000037535732 173255075 /nfs/dbraw/zinc/25/50/75/173255075.db2.gz NXEXOTNMCXHLDY-QGZVFWFLSA-N 1 0 273.807 4.542 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(SC2CCCCC2)c(F)c1 ZINC000037685906 570411677 /nfs/dbraw/zinc/41/16/77/570411677.db2.gz ULBSQEDDGTWKNR-NSHDSACASA-N 1 0 267.413 4.531 10 0 CJAERO C[NH2+][C@H](C)c1ccc(SC2CCCCC2)c(F)c1 ZINC000037685907 570411737 /nfs/dbraw/zinc/41/17/37/570411737.db2.gz ULBSQEDDGTWKNR-LLVKDONJSA-N 1 0 267.413 4.531 10 0 CJAERO C[C@H]([NH3+])c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000037698243 173622641 /nfs/dbraw/zinc/62/26/41/173622641.db2.gz UEIVAIFFIYKBIS-JTQLQIEISA-N 1 0 296.197 4.592 10 0 CJAERO Fc1cccc2c1SCC[C@H]2[NH2+]CCC1CCCC1 ZINC000037739752 173660211 /nfs/dbraw/zinc/66/02/11/173660211.db2.gz FSRFYBOTYZZAPA-OAHLLOKOSA-N 1 0 279.424 4.533 10 0 CJAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)cc1 ZINC000037772076 333538755 /nfs/dbraw/zinc/53/87/55/333538755.db2.gz YLMSCZGFYGRGBO-INIZCTEOSA-N 1 0 267.416 4.717 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000037772123 333538725 /nfs/dbraw/zinc/53/87/25/333538725.db2.gz HARHZOJRKQPQEW-QGZVFWFLSA-N 1 0 267.416 4.771 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2C)s1 ZINC000037777108 173708295 /nfs/dbraw/zinc/70/82/95/173708295.db2.gz YUGVOAKSWBFJPY-ZFWWWQNUSA-N 1 0 273.445 4.647 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2C)s1 ZINC000037777110 173708486 /nfs/dbraw/zinc/70/84/86/173708486.db2.gz YUGVOAKSWBFJPY-DZGCQCFKSA-N 1 0 273.445 4.647 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1C)c1cccs1 ZINC000037777312 173708561 /nfs/dbraw/zinc/70/85/61/173708561.db2.gz HXGHZPFGHXSQCL-GOEBONIOSA-N 1 0 273.445 4.728 10 0 CJAERO CC[C@H]([NH2+][C@H](C)Cc1ccccc1C)c1cccs1 ZINC000037777313 173708586 /nfs/dbraw/zinc/70/85/86/173708586.db2.gz HXGHZPFGHXSQCL-ZBFHGGJFSA-N 1 0 273.445 4.728 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(F)cc2Cl)cc1 ZINC000037902303 173833332 /nfs/dbraw/zinc/83/33/32/173833332.db2.gz WQRUJJQFLHSZEO-JTQLQIEISA-N 1 0 279.742 4.552 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Oc2ccc(F)cc2Cl)cc1 ZINC000037902304 173833308 /nfs/dbraw/zinc/83/33/08/173833308.db2.gz WQRUJJQFLHSZEO-SNVBAGLBSA-N 1 0 279.742 4.552 10 0 CJAERO C[NH2+][C@@H](C)c1ccccc1Oc1ccc(F)cc1Cl ZINC000037902307 173833369 /nfs/dbraw/zinc/83/33/69/173833369.db2.gz UAVIFGBAADDGJI-JTQLQIEISA-N 1 0 279.742 4.552 10 0 CJAERO CC(C)[C@H]([NH2+]CCSc1ccccc1)c1cccs1 ZINC000037904208 173835948 /nfs/dbraw/zinc/83/59/48/173835948.db2.gz HUZHQRKLWCIENV-INIZCTEOSA-N 1 0 291.485 4.827 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccccc2)s1 ZINC000037934714 173875500 /nfs/dbraw/zinc/87/55/00/173875500.db2.gz AJCLCLYVPUIZLW-CQSZACIVSA-N 1 0 273.445 4.685 10 0 CJAERO CC[C@H]([NH2+]CC(C)(C)c1ccccc1)c1cccs1 ZINC000037934823 173875314 /nfs/dbraw/zinc/87/53/14/173875314.db2.gz BILINKLCLDMMCF-HNNXBMFYSA-N 1 0 273.445 4.767 10 0 CJAERO C[NH2+][C@@H](CCc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000037948412 173889421 /nfs/dbraw/zinc/88/94/21/173889421.db2.gz QSEAGHWPASSPPU-ZDUSSCGKSA-N 1 0 274.235 4.560 10 0 CJAERO Cc1ccc([C@H](C)Nc2cc(C)[nH+]c3ccccc23)o1 ZINC000037980431 173939652 /nfs/dbraw/zinc/93/96/52/173939652.db2.gz JVHRCPAMBXHYSO-ZDUSSCGKSA-N 1 0 266.344 4.618 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000037992759 173952758 /nfs/dbraw/zinc/95/27/58/173952758.db2.gz DVMRRPMZTGTYFS-HNNXBMFYSA-N 1 0 279.836 4.685 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000037992760 173952796 /nfs/dbraw/zinc/95/27/96/173952796.db2.gz DVMRRPMZTGTYFS-OAHLLOKOSA-N 1 0 279.836 4.685 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002256 173964438 /nfs/dbraw/zinc/96/44/38/173964438.db2.gz PYTGEIYHWNXATA-ZJUUUORDSA-N 1 0 290.270 4.596 10 0 CJAERO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002257 173964516 /nfs/dbraw/zinc/96/45/16/173964516.db2.gz PYTGEIYHWNXATA-UWVGGRQHSA-N 1 0 290.270 4.596 10 0 CJAERO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002258 173964848 /nfs/dbraw/zinc/96/48/48/173964848.db2.gz PYTGEIYHWNXATA-NXEZZACHSA-N 1 0 290.270 4.596 10 0 CJAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccncc1 ZINC000038030730 174022469 /nfs/dbraw/zinc/02/24/69/174022469.db2.gz GYEJPRMMEAEJNV-AWEZNQCLSA-N 1 0 294.423 4.661 10 0 CJAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccncc1 ZINC000038030731 174022159 /nfs/dbraw/zinc/02/21/59/174022159.db2.gz GYEJPRMMEAEJNV-CQSZACIVSA-N 1 0 294.423 4.661 10 0 CJAERO CC(C)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030772 174023241 /nfs/dbraw/zinc/02/32/41/174023241.db2.gz FZPHTEFZWDRIHU-CYBMUJFWSA-N 1 0 259.418 4.549 10 0 CJAERO CC(C)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030773 174023090 /nfs/dbraw/zinc/02/30/90/174023090.db2.gz FZPHTEFZWDRIHU-ZDUSSCGKSA-N 1 0 259.418 4.549 10 0 CJAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccco1 ZINC000038030791 174022776 /nfs/dbraw/zinc/02/27/76/174022776.db2.gz JEKUACADBLMJTM-ZDUSSCGKSA-N 1 0 283.396 4.859 10 0 CJAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)c1ccco1 ZINC000038030792 174023895 /nfs/dbraw/zinc/02/38/95/174023895.db2.gz JEKUACADBLMJTM-CYBMUJFWSA-N 1 0 283.396 4.859 10 0 CJAERO Cc1cc(Nc2cc(N)ccc2Cl)c2ccccc2[nH+]1 ZINC000038033861 174032494 /nfs/dbraw/zinc/03/24/94/174032494.db2.gz GRGXOGMZGJCLHJ-UHFFFAOYSA-N 1 0 283.762 4.522 10 0 CJAERO Cc1ccc2c(c1)nc([C@H]([NH3+])C1CCCCC1)n2C(C)C ZINC000038036788 174036073 /nfs/dbraw/zinc/03/60/73/174036073.db2.gz NAZPDNJDKNMVRJ-QGZVFWFLSA-N 1 0 285.435 4.506 10 0 CJAERO Cc1ccc2c(c1)nc([C@@H]([NH3+])C1CCCCC1)n2C(C)C ZINC000038036789 174035791 /nfs/dbraw/zinc/03/57/91/174035791.db2.gz NAZPDNJDKNMVRJ-KRWDZBQOSA-N 1 0 285.435 4.506 10 0 CJAERO [NH3+][C@@H](c1nc2cc(Cl)ccc2s1)C1CCCCC1 ZINC000038036876 174036491 /nfs/dbraw/zinc/03/64/91/174036491.db2.gz NCRVGSBUTALKEC-CYBMUJFWSA-N 1 0 280.824 4.530 10 0 CJAERO [NH3+][C@H](c1nc2cc(Cl)ccc2s1)C1CCCCC1 ZINC000038036877 174036957 /nfs/dbraw/zinc/03/69/57/174036957.db2.gz NCRVGSBUTALKEC-ZDUSSCGKSA-N 1 0 280.824 4.530 10 0 CJAERO [NH3+][C@@H](c1nc2cccc(Cl)c2s1)C1CCCCC1 ZINC000038036890 174036566 /nfs/dbraw/zinc/03/65/66/174036566.db2.gz QSXUGAQWYQCKER-GFCCVEGCSA-N 1 0 280.824 4.530 10 0 CJAERO [NH3+][C@H](c1nc2cccc(Cl)c2s1)C1CCCCC1 ZINC000038036891 174036609 /nfs/dbraw/zinc/03/66/09/174036609.db2.gz QSXUGAQWYQCKER-LBPRGKRZSA-N 1 0 280.824 4.530 10 0 CJAERO CC(C)(C)c1ccc2oc([C@H]([NH3+])C3CCCCC3)nc2c1 ZINC000038037078 174036617 /nfs/dbraw/zinc/03/66/17/174036617.db2.gz UZCZSPLUPPSBKS-MRXNPFEDSA-N 1 0 286.419 4.705 10 0 CJAERO CC(C)(C)c1ccc2oc([C@@H]([NH3+])C3CCCCC3)nc2c1 ZINC000038037079 174036672 /nfs/dbraw/zinc/03/66/72/174036672.db2.gz UZCZSPLUPPSBKS-INIZCTEOSA-N 1 0 286.419 4.705 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1nc2ccccc2n1CCC ZINC000038046791 174055761 /nfs/dbraw/zinc/05/57/61/174055761.db2.gz OCPLWUZUJDTKSR-OAHLLOKOSA-N 1 0 287.451 4.505 10 0 CJAERO CCCCC[C@H](C)[NH2+]Cc1nc2ccccc2n1CCC ZINC000038046792 174056272 /nfs/dbraw/zinc/05/62/72/174056272.db2.gz OCPLWUZUJDTKSR-HNNXBMFYSA-N 1 0 287.451 4.505 10 0 CJAERO Cc1ccc(C(C)C)cc1O[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000038052976 174064663 /nfs/dbraw/zinc/06/46/63/174064663.db2.gz PKBKGJHVWFKNGM-KXBFYZLASA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc(C(C)C)cc1O[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000038052977 174064601 /nfs/dbraw/zinc/06/46/01/174064601.db2.gz PKBKGJHVWFKNGM-BEFAXECRSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc(C(C)C)cc1O[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000038052978 174064904 /nfs/dbraw/zinc/06/49/04/174064904.db2.gz PKBKGJHVWFKNGM-HNAYVOBHSA-N 1 0 283.415 4.586 10 0 CJAERO Cc1ccc(C(C)C)cc1O[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000038052979 174064516 /nfs/dbraw/zinc/06/45/16/174064516.db2.gz PKBKGJHVWFKNGM-DNVCBOLYSA-N 1 0 283.415 4.586 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1-c1cc(C)cc(C)c1 ZINC000038069794 174081090 /nfs/dbraw/zinc/08/10/90/174081090.db2.gz QVYPBSNMDNOGGK-HNNXBMFYSA-N 1 0 253.389 4.641 10 0 CJAERO CC[NH2+][C@H](C)c1ccccc1-c1cc(C)cc(C)c1 ZINC000038069795 174081183 /nfs/dbraw/zinc/08/11/83/174081183.db2.gz QVYPBSNMDNOGGK-OAHLLOKOSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000038069856 174081040 /nfs/dbraw/zinc/08/10/40/174081040.db2.gz HZZQOPVUHVXTAZ-SFHVURJKSA-N 1 0 276.383 4.572 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000038069857 174080980 /nfs/dbraw/zinc/08/09/80/174080980.db2.gz HZZQOPVUHVXTAZ-GOSISDBHSA-N 1 0 276.383 4.572 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069950 174081233 /nfs/dbraw/zinc/08/12/33/174081233.db2.gz DZTCQFURTYFZTL-LBPRGKRZSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069951 174080844 /nfs/dbraw/zinc/08/08/44/174080844.db2.gz DZTCQFURTYFZTL-GFCCVEGCSA-N 1 0 259.780 4.678 10 0 CJAERO CC(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069953 174081155 /nfs/dbraw/zinc/08/11/55/174081155.db2.gz HJWKONBNAXLVHF-UHFFFAOYSA-N 1 0 259.780 4.505 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000038069969 174080933 /nfs/dbraw/zinc/08/09/33/174080933.db2.gz XIVDDMOPAUKYFB-LBPRGKRZSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000038069970 174081132 /nfs/dbraw/zinc/08/11/32/174081132.db2.gz XIVDDMOPAUKYFB-GFCCVEGCSA-N 1 0 259.780 4.678 10 0 CJAERO CC(C)[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069972 174080979 /nfs/dbraw/zinc/08/09/79/174080979.db2.gz ZGJXLYBJUFNABJ-UHFFFAOYSA-N 1 0 259.780 4.505 10 0 CJAERO CC[NH2+][C@@H](C)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069976 174081186 /nfs/dbraw/zinc/08/11/86/174081186.db2.gz KSMUCEHDOIWEHW-LBPRGKRZSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069977 174080926 /nfs/dbraw/zinc/08/09/26/174080926.db2.gz KSMUCEHDOIWEHW-GFCCVEGCSA-N 1 0 259.780 4.678 10 0 CJAERO CCC[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000038069980 174081082 /nfs/dbraw/zinc/08/10/82/174081082.db2.gz NTEQOQTVBHHWLF-UHFFFAOYSA-N 1 0 259.780 4.507 10 0 CJAERO CC(C)[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000038069981 174081033 /nfs/dbraw/zinc/08/10/33/174081033.db2.gz AMORUOYBYNUMFC-UHFFFAOYSA-N 1 0 259.780 4.505 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069986 174081165 /nfs/dbraw/zinc/08/11/65/174081165.db2.gz VWVPLBAPGSREPK-INIZCTEOSA-N 1 0 259.780 4.678 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000038069987 174080937 /nfs/dbraw/zinc/08/09/37/174080937.db2.gz VWVPLBAPGSREPK-MRXNPFEDSA-N 1 0 259.780 4.678 10 0 CJAERO CC[C@H]([NH2+]C)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069991 174081226 /nfs/dbraw/zinc/08/12/26/174081226.db2.gz PZEWFVGFGBTQMM-INIZCTEOSA-N 1 0 259.780 4.678 10 0 CJAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000038069992 174080982 /nfs/dbraw/zinc/08/09/82/174080982.db2.gz PZEWFVGFGBTQMM-MRXNPFEDSA-N 1 0 259.780 4.678 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1-c1ccc(C)cc1 ZINC000038070026 174080867 /nfs/dbraw/zinc/08/08/67/174080867.db2.gz BXOSSTWEXPRMSF-HNNXBMFYSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1-c1ccc(C)cc1 ZINC000038070027 174080915 /nfs/dbraw/zinc/08/09/15/174080915.db2.gz BXOSSTWEXPRMSF-OAHLLOKOSA-N 1 0 253.389 4.723 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000038070169 174080936 /nfs/dbraw/zinc/08/09/36/174080936.db2.gz RMLASXXXIVATOS-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000038070170 174081062 /nfs/dbraw/zinc/08/10/62/174081062.db2.gz RMLASXXXIVATOS-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO CC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000038070172 174081077 /nfs/dbraw/zinc/08/10/77/174081077.db2.gz YSWDGZLIUJKTTG-UHFFFAOYSA-N 1 0 280.198 4.770 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000038070175 174081046 /nfs/dbraw/zinc/08/10/46/174081046.db2.gz YWIJUHQWNYTPFB-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000038070176 174080975 /nfs/dbraw/zinc/08/09/75/174080975.db2.gz YWIJUHQWNYTPFB-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1ccccc1-c1cccc(Cl)c1Cl ZINC000038070177 174080826 /nfs/dbraw/zinc/08/08/26/174080826.db2.gz MXEVLKNZRRBHBZ-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1-c1cccc(Cl)c1Cl ZINC000038070178 174081074 /nfs/dbraw/zinc/08/10/74/174081074.db2.gz MXEVLKNZRRBHBZ-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000038070179 174080834 /nfs/dbraw/zinc/08/08/34/174080834.db2.gz FJUPZHJWMPYHHE-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000038070180 174081020 /nfs/dbraw/zinc/08/10/20/174081020.db2.gz FJUPZHJWMPYHHE-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[NH2+][C@@H](C)c1ccccc1-c1cccc(Cl)c1Cl ZINC000038070189 174081238 /nfs/dbraw/zinc/08/12/38/174081238.db2.gz HZZHKVFVOSKTGO-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccccc1-c1cccc(Cl)c1Cl ZINC000038070190 174080859 /nfs/dbraw/zinc/08/08/59/174080859.db2.gz HZZHKVFVOSKTGO-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO CC[NH2+]Cc1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000038070194 174080994 /nfs/dbraw/zinc/08/09/94/174080994.db2.gz ABGLWBIFIOWXIW-UHFFFAOYSA-N 1 0 280.198 4.770 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000038070195 174081586 /nfs/dbraw/zinc/08/15/86/174081586.db2.gz UELHPLNHKXGSET-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000038070196 174081634 /nfs/dbraw/zinc/08/16/34/174081634.db2.gz UELHPLNHKXGSET-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO CC[NH2+]Cc1ccccc1-c1cccc(Cl)c1Cl ZINC000038070198 174081451 /nfs/dbraw/zinc/08/14/51/174081451.db2.gz VGJQMOAVWGOFHC-UHFFFAOYSA-N 1 0 280.198 4.770 10 0 CJAERO Clc1cccc(-c2ccccc2C[NH2+]C2CC2)c1Cl ZINC000038070200 174081363 /nfs/dbraw/zinc/08/13/63/174081363.db2.gz ZXKQLFMHFNTQSO-UHFFFAOYSA-N 1 0 292.209 4.912 10 0 CJAERO C[NH2+]Cc1cc(-c2cccc(Cl)c2Cl)ccc1F ZINC000038070201 174081547 /nfs/dbraw/zinc/08/15/47/174081547.db2.gz CFLNKUZEUPFVBS-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)cc1F ZINC000038070202 174081561 /nfs/dbraw/zinc/08/15/61/174081561.db2.gz YIAJMYZYCNRFRN-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO C[NH2+]Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1 ZINC000038070203 174081573 /nfs/dbraw/zinc/08/15/73/174081573.db2.gz HAGXVDUNINLERX-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2C)cc1 ZINC000038070665 174081543 /nfs/dbraw/zinc/08/15/43/174081543.db2.gz IKVJEVREYJHTIS-HNNXBMFYSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2ccccc2C)cc1 ZINC000038070666 174081617 /nfs/dbraw/zinc/08/16/17/174081617.db2.gz IKVJEVREYJHTIS-OAHLLOKOSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1-c1ccccc1C ZINC000038070690 174081462 /nfs/dbraw/zinc/08/14/62/174081462.db2.gz DTYYLLGPGUUGKG-HNNXBMFYSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1-c1ccccc1C ZINC000038070691 174081433 /nfs/dbraw/zinc/08/14/33/174081433.db2.gz DTYYLLGPGUUGKG-OAHLLOKOSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@@H](C)c1cccc(-c2ccccc2C)c1 ZINC000038070701 174081578 /nfs/dbraw/zinc/08/15/78/174081578.db2.gz SJJYPGSYYKDHCK-HNNXBMFYSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@H](C)c1cccc(-c2ccccc2C)c1 ZINC000038070702 174081673 /nfs/dbraw/zinc/08/16/73/174081673.db2.gz SJJYPGSYYKDHCK-OAHLLOKOSA-N 1 0 253.389 4.723 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccccc2C)cc1 ZINC000038070715 174081553 /nfs/dbraw/zinc/08/15/53/174081553.db2.gz DBLGREZWGARONS-SFHVURJKSA-N 1 0 253.389 4.723 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2ccccc2C)cc1 ZINC000038070716 174081605 /nfs/dbraw/zinc/08/16/05/174081605.db2.gz DBLGREZWGARONS-GOSISDBHSA-N 1 0 253.389 4.723 10 0 CJAERO CC[NH2+][C@@H](CC)c1cccc(-c2ccccc2C)c1 ZINC000038070724 174081516 /nfs/dbraw/zinc/08/15/16/174081516.db2.gz RVSXTUCYSMRUHR-SFHVURJKSA-N 1 0 253.389 4.723 10 0 CJAERO CC[NH2+][C@H](CC)c1cccc(-c2ccccc2C)c1 ZINC000038070725 174081616 /nfs/dbraw/zinc/08/16/16/174081616.db2.gz RVSXTUCYSMRUHR-GOSISDBHSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1-c1ccc(F)cc1 ZINC000038070763 174081651 /nfs/dbraw/zinc/08/16/51/174081651.db2.gz JPLZFSBERVHJPM-ZDUSSCGKSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1-c1ccc(F)cc1 ZINC000038070764 174081485 /nfs/dbraw/zinc/08/14/85/174081485.db2.gz JPLZFSBERVHJPM-CYBMUJFWSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@@H](C)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070774 174081475 /nfs/dbraw/zinc/08/14/75/174081475.db2.gz FTNDPQFVHYJCIY-ZDUSSCGKSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@H](C)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070775 174081684 /nfs/dbraw/zinc/08/16/84/174081684.db2.gz FTNDPQFVHYJCIY-CYBMUJFWSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(F)cc2)cc1 ZINC000038070787 174081662 /nfs/dbraw/zinc/08/16/62/174081662.db2.gz BLZQXWJGJIHWLK-KRWDZBQOSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(F)cc2)cc1 ZINC000038070788 174081413 /nfs/dbraw/zinc/08/14/13/174081413.db2.gz BLZQXWJGJIHWLK-QGZVFWFLSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@@H](CC)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070796 174081600 /nfs/dbraw/zinc/08/16/00/174081600.db2.gz GPZSKIADWYFLEF-KRWDZBQOSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@H](CC)c1cccc(-c2ccc(F)cc2)c1 ZINC000038070797 174081405 /nfs/dbraw/zinc/08/14/05/174081405.db2.gz GPZSKIADWYFLEF-QGZVFWFLSA-N 1 0 257.352 4.553 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038071048 174081913 /nfs/dbraw/zinc/08/19/13/174081913.db2.gz UWUFQVZLRQJLMY-INIZCTEOSA-N 1 0 289.806 4.686 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038071049 174081890 /nfs/dbraw/zinc/08/18/90/174081890.db2.gz UWUFQVZLRQJLMY-MRXNPFEDSA-N 1 0 289.806 4.686 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000038071132 174082290 /nfs/dbraw/zinc/08/22/90/174082290.db2.gz BPAYKUFKPVGIQA-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000038071133 174082107 /nfs/dbraw/zinc/08/21/07/174082107.db2.gz BPAYKUFKPVGIQA-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[C@H]([NH3+])c1ccccc1-c1cc(Cl)ccc1Cl ZINC000038071137 174082211 /nfs/dbraw/zinc/08/22/11/174082211.db2.gz JWNCBTRZXWBTGE-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1-c1cc(Cl)ccc1Cl ZINC000038071138 174082014 /nfs/dbraw/zinc/08/20/14/174082014.db2.gz JWNCBTRZXWBTGE-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000038071139 174082277 /nfs/dbraw/zinc/08/22/77/174082277.db2.gz JFZVDXJVRWXXOX-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000038071140 174081973 /nfs/dbraw/zinc/08/19/73/174081973.db2.gz JFZVDXJVRWXXOX-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[NH2+][C@@H](C)c1ccccc1-c1cc(Cl)ccc1Cl ZINC000038071148 174082086 /nfs/dbraw/zinc/08/20/86/174082086.db2.gz PSZRTLJCLFMRAO-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccccc1-c1cc(Cl)ccc1Cl ZINC000038071149 174082221 /nfs/dbraw/zinc/08/22/21/174082221.db2.gz PSZRTLJCLFMRAO-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000038071151 174081785 /nfs/dbraw/zinc/08/17/85/174081785.db2.gz CDGCSOBDMXSDLN-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000038071152 174081790 /nfs/dbraw/zinc/08/17/90/174081790.db2.gz CDGCSOBDMXSDLN-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO CC[NH2+]Cc1ccccc1-c1cc(Cl)ccc1Cl ZINC000038071154 174081873 /nfs/dbraw/zinc/08/18/73/174081873.db2.gz YFURGXGTBFRLGH-UHFFFAOYSA-N 1 0 280.198 4.770 10 0 CJAERO Clc1ccc(Cl)c(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038071155 174081877 /nfs/dbraw/zinc/08/18/77/174081877.db2.gz LIEWFGAVLYMBHP-UHFFFAOYSA-N 1 0 292.209 4.912 10 0 CJAERO C[NH2+]Cc1cc(-c2cc(Cl)ccc2Cl)ccc1F ZINC000038071156 174082066 /nfs/dbraw/zinc/08/20/66/174082066.db2.gz GULLJHQMYOKETP-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)cc1F ZINC000038071157 174082266 /nfs/dbraw/zinc/08/22/66/174082266.db2.gz CNXQMZGWKRETHA-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO C[NH2+]Cc1ccc(F)c(-c2cc(Cl)ccc2Cl)c1 ZINC000038071158 174081780 /nfs/dbraw/zinc/08/17/80/174081780.db2.gz IOOKCLDWXXNVHM-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO C[C@H]([NH3+])c1ccccc1-c1ccc(SC(F)F)cc1 ZINC000038071242 174081893 /nfs/dbraw/zinc/08/18/93/174081893.db2.gz ZEKRKNMMUGHFGM-JTQLQIEISA-N 1 0 279.355 4.688 10 0 CJAERO C[C@@H]([NH3+])c1ccccc1-c1ccc(SC(F)F)cc1 ZINC000038071243 174082217 /nfs/dbraw/zinc/08/22/17/174082217.db2.gz ZEKRKNMMUGHFGM-SNVBAGLBSA-N 1 0 279.355 4.688 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1-c1cccc(C)c1 ZINC000038071533 174081789 /nfs/dbraw/zinc/08/17/89/174081789.db2.gz KNIDFHTUFYZLOX-HNNXBMFYSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1-c1cccc(C)c1 ZINC000038071534 174081898 /nfs/dbraw/zinc/08/18/98/174081898.db2.gz KNIDFHTUFYZLOX-OAHLLOKOSA-N 1 0 253.389 4.723 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1-c1cccc(F)c1 ZINC000038071603 174082518 /nfs/dbraw/zinc/08/25/18/174082518.db2.gz SZJRENUFNOSFNF-CYBMUJFWSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@@H](C)c1cccc(-c2cccc(F)c2)c1 ZINC000038071613 174082678 /nfs/dbraw/zinc/08/26/78/174082678.db2.gz ZFGOURCPWKHRFD-ZDUSSCGKSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@H](C)c1cccc(-c2cccc(F)c2)c1 ZINC000038071614 174082577 /nfs/dbraw/zinc/08/25/77/174082577.db2.gz ZFGOURCPWKHRFD-CYBMUJFWSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2cccc(F)c2)cc1 ZINC000038071627 174082556 /nfs/dbraw/zinc/08/25/56/174082556.db2.gz KIEGQLUPWOFZHS-KRWDZBQOSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2cccc(F)c2)cc1 ZINC000038071628 174082952 /nfs/dbraw/zinc/08/29/52/174082952.db2.gz KIEGQLUPWOFZHS-QGZVFWFLSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@@H](CC)c1cccc(-c2cccc(F)c2)c1 ZINC000038071636 174082832 /nfs/dbraw/zinc/08/28/32/174082832.db2.gz MADPRAQSVXCEFC-KRWDZBQOSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@H](CC)c1cccc(-c2cccc(F)c2)c1 ZINC000038071637 174082622 /nfs/dbraw/zinc/08/26/22/174082622.db2.gz MADPRAQSVXCEFC-QGZVFWFLSA-N 1 0 257.352 4.553 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1-c1cc(C)ccc1C ZINC000038072075 174082692 /nfs/dbraw/zinc/08/26/92/174082692.db2.gz YNFIZMIDJXWCDJ-HNNXBMFYSA-N 1 0 253.389 4.641 10 0 CJAERO CC[NH2+][C@H](C)c1ccccc1-c1cc(C)ccc1C ZINC000038072076 174082809 /nfs/dbraw/zinc/08/28/09/174082809.db2.gz YNFIZMIDJXWCDJ-OAHLLOKOSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@H]([NH2+]C)c1cccc(-c2cc(C)ccc2C)c1 ZINC000038072098 174082980 /nfs/dbraw/zinc/08/29/80/174082980.db2.gz HMHUJOLCUGQKAH-SFHVURJKSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@@H]([NH2+]C)c1cccc(-c2cc(C)ccc2C)c1 ZINC000038072099 174082508 /nfs/dbraw/zinc/08/25/08/174082508.db2.gz HMHUJOLCUGQKAH-GOSISDBHSA-N 1 0 253.389 4.641 10 0 CJAERO Cc1cc(C)c(C)c(-c2ccccc2[C@@H](C)[NH3+])c1C ZINC000038072113 174082620 /nfs/dbraw/zinc/08/26/20/174082620.db2.gz ZOJMGCFBFLWRNV-OAHLLOKOSA-N 1 0 253.389 4.607 10 0 CJAERO Cc1cc(C)c(C)c(-c2ccccc2[C@H](C)[NH3+])c1C ZINC000038072114 174082714 /nfs/dbraw/zinc/08/27/14/174082714.db2.gz ZOJMGCFBFLWRNV-HNNXBMFYSA-N 1 0 253.389 4.607 10 0 CJAERO Cc1cc(C)c(C)c(-c2cccc([C@@H](C)[NH3+])c2)c1C ZINC000038072116 174082594 /nfs/dbraw/zinc/08/25/94/174082594.db2.gz SCJLRRJMCZJLLZ-OAHLLOKOSA-N 1 0 253.389 4.607 10 0 CJAERO Cc1cc(C)c(C)c(-c2cccc([C@H](C)[NH3+])c2)c1C ZINC000038072117 174082591 /nfs/dbraw/zinc/08/25/91/174082591.db2.gz SCJLRRJMCZJLLZ-HNNXBMFYSA-N 1 0 253.389 4.607 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2c(C)cc(C)cc2C)cc1 ZINC000038072280 174082589 /nfs/dbraw/zinc/08/25/89/174082589.db2.gz TVCROKAHDZYRKL-OAHLLOKOSA-N 1 0 253.389 4.559 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2c(C)cc(C)cc2C)cc1 ZINC000038072281 174082893 /nfs/dbraw/zinc/08/28/93/174082893.db2.gz TVCROKAHDZYRKL-HNNXBMFYSA-N 1 0 253.389 4.559 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2c(C)cc(C)cc2C)cc1 ZINC000038072295 174082553 /nfs/dbraw/zinc/08/25/53/174082553.db2.gz JNKWKIQEYHBMOJ-KRWDZBQOSA-N 1 0 253.389 4.689 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2c(C)cc(C)cc2C)cc1 ZINC000038072296 174082905 /nfs/dbraw/zinc/08/29/05/174082905.db2.gz JNKWKIQEYHBMOJ-QGZVFWFLSA-N 1 0 253.389 4.689 10 0 CJAERO CC[C@H]([NH3+])c1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038072298 174082705 /nfs/dbraw/zinc/08/27/05/174082705.db2.gz MHDTTWLDQNCLOH-KRWDZBQOSA-N 1 0 253.389 4.689 10 0 CJAERO CC[C@@H]([NH3+])c1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038072299 174082641 /nfs/dbraw/zinc/08/26/41/174082641.db2.gz MHDTTWLDQNCLOH-QGZVFWFLSA-N 1 0 253.389 4.689 10 0 CJAERO C[NH2+][C@H](C)c1ccccc1-c1c(C)cc(C)cc1C ZINC000038072301 174082844 /nfs/dbraw/zinc/08/28/44/174082844.db2.gz FKABEVOVCATCIR-OAHLLOKOSA-N 1 0 253.389 4.559 10 0 CJAERO C[NH2+][C@@H](C)c1ccccc1-c1c(C)cc(C)cc1C ZINC000038072302 174082653 /nfs/dbraw/zinc/08/26/53/174082653.db2.gz FKABEVOVCATCIR-HNNXBMFYSA-N 1 0 253.389 4.559 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038072308 174082747 /nfs/dbraw/zinc/08/27/47/174082747.db2.gz LCIQOGSDZHHPMY-OAHLLOKOSA-N 1 0 253.389 4.559 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038072309 174082501 /nfs/dbraw/zinc/08/25/01/174082501.db2.gz LCIQOGSDZHHPMY-HNNXBMFYSA-N 1 0 253.389 4.559 10 0 CJAERO CC[C@@H](C)c1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000038072411 174082978 /nfs/dbraw/zinc/08/29/78/174082978.db2.gz IXQGVHMLIYHPCJ-ZIAGYGMSSA-N 1 0 253.389 4.887 10 0 CJAERO CC[C@H](C)c1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000038072412 174082660 /nfs/dbraw/zinc/08/26/60/174082660.db2.gz IXQGVHMLIYHPCJ-UONOGXRCSA-N 1 0 253.389 4.887 10 0 CJAERO CC[C@@H](C)c1ccc(-c2ccccc2[C@H](C)[NH3+])cc1 ZINC000038072413 174082549 /nfs/dbraw/zinc/08/25/49/174082549.db2.gz IXQGVHMLIYHPCJ-KGLIPLIRSA-N 1 0 253.389 4.887 10 0 CJAERO CC[C@H](C)c1ccc(-c2ccccc2[C@H](C)[NH3+])cc1 ZINC000038072414 174082976 /nfs/dbraw/zinc/08/29/76/174082976.db2.gz IXQGVHMLIYHPCJ-KBPBESRZSA-N 1 0 253.389 4.887 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(C)cc1C ZINC000038072480 174082958 /nfs/dbraw/zinc/08/29/58/174082958.db2.gz WXWAGEGZGPXQHL-HNNXBMFYSA-N 1 0 253.389 4.641 10 0 CJAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(C)cc1C ZINC000038072481 174082758 /nfs/dbraw/zinc/08/27/58/174082758.db2.gz WXWAGEGZGPXQHL-OAHLLOKOSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@H]([NH2+]C)c1cccc(-c2ccc(C)cc2C)c1 ZINC000038072503 174083001 /nfs/dbraw/zinc/08/30/01/174083001.db2.gz SRCLUQDJHWKIAF-SFHVURJKSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(C)cc2C)c1 ZINC000038072504 174082681 /nfs/dbraw/zinc/08/26/81/174082681.db2.gz SRCLUQDJHWKIAF-GOSISDBHSA-N 1 0 253.389 4.641 10 0 CJAERO CC(C)Cc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000038072535 174082523 /nfs/dbraw/zinc/08/25/23/174082523.db2.gz XMAUTDGIVNUAIL-CQSZACIVSA-N 1 0 253.389 4.572 10 0 CJAERO CC(C)Cc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1 ZINC000038072536 174082945 /nfs/dbraw/zinc/08/29/45/174082945.db2.gz XMAUTDGIVNUAIL-AWEZNQCLSA-N 1 0 253.389 4.572 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073299 174083311 /nfs/dbraw/zinc/08/33/11/174083311.db2.gz BDNKJVAWDSAHQD-INIZCTEOSA-N 1 0 289.806 4.686 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073300 174083382 /nfs/dbraw/zinc/08/33/82/174083382.db2.gz BDNKJVAWDSAHQD-MRXNPFEDSA-N 1 0 289.806 4.686 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000038073484 174083989 /nfs/dbraw/zinc/08/39/89/174083989.db2.gz NELWDNDYEHSSJJ-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000038073485 174083828 /nfs/dbraw/zinc/08/38/28/174083828.db2.gz NELWDNDYEHSSJJ-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000038073488 174084036 /nfs/dbraw/zinc/08/40/36/174084036.db2.gz HJRGNZVVLHQFGU-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000038073493 174084130 /nfs/dbraw/zinc/08/41/30/174084130.db2.gz GTXRCCXFBXXQKY-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000038073494 174083891 /nfs/dbraw/zinc/08/38/91/174083891.db2.gz GTXRCCXFBXXQKY-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+]Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1F ZINC000038073499 174084000 /nfs/dbraw/zinc/08/40/00/174084000.db2.gz NGIVFNSUASBRCR-UHFFFAOYSA-N 1 0 284.161 4.519 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccccc2Cl)cc1 ZINC000038078190 174087865 /nfs/dbraw/zinc/08/78/65/174087865.db2.gz ANOXHFADOJUZDV-INIZCTEOSA-N 1 0 259.780 4.678 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccccc2Cl)cc1 ZINC000038078191 174088280 /nfs/dbraw/zinc/08/82/80/174088280.db2.gz ANOXHFADOJUZDV-MRXNPFEDSA-N 1 0 259.780 4.678 10 0 CJAERO CC(C)[NH2+]Cc1ccc(-c2ccccc2Cl)cc1F ZINC000038078196 174088303 /nfs/dbraw/zinc/08/83/03/174088303.db2.gz NLXVKFIGYQQZSK-UHFFFAOYSA-N 1 0 277.770 4.644 10 0 CJAERO CC[C@H]([NH2+]C)c1cccc(-c2ccccc2Cl)c1 ZINC000038078198 174088155 /nfs/dbraw/zinc/08/81/55/174088155.db2.gz JOWNVGRXQBLBOT-INIZCTEOSA-N 1 0 259.780 4.678 10 0 CJAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccccc2Cl)c1 ZINC000038078199 174087949 /nfs/dbraw/zinc/08/79/49/174087949.db2.gz JOWNVGRXQBLBOT-MRXNPFEDSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)cc1 ZINC000038078221 174088103 /nfs/dbraw/zinc/08/81/03/174088103.db2.gz MNNIRXUKJCMTET-LBPRGKRZSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)cc1 ZINC000038078222 174088188 /nfs/dbraw/zinc/08/81/88/174088188.db2.gz MNNIRXUKJCMTET-GFCCVEGCSA-N 1 0 259.780 4.678 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2ccccc2Cl)cc1 ZINC000038078224 174088289 /nfs/dbraw/zinc/08/82/89/174088289.db2.gz RJBDNXGZSGKCQK-UHFFFAOYSA-N 1 0 259.780 4.507 10 0 CJAERO CC(C)[NH2+]Cc1ccc(-c2ccccc2Cl)cc1 ZINC000038078225 174088096 /nfs/dbraw/zinc/08/80/96/174088096.db2.gz CLAHCFYHCIJUGG-UHFFFAOYSA-N 1 0 259.780 4.505 10 0 CJAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccccc1Cl ZINC000038078229 174087929 /nfs/dbraw/zinc/08/79/29/174087929.db2.gz VIAJCTAETZYIRE-LBPRGKRZSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@H](C)c1ccccc1-c1ccccc1Cl ZINC000038078230 174088325 /nfs/dbraw/zinc/08/83/25/174088325.db2.gz VIAJCTAETZYIRE-GFCCVEGCSA-N 1 0 259.780 4.678 10 0 CJAERO CCC[NH2+]Cc1cccc(-c2ccccc2Cl)c1 ZINC000038078235 174088195 /nfs/dbraw/zinc/08/81/95/174088195.db2.gz OYQRUGMHCINXAX-UHFFFAOYSA-N 1 0 259.780 4.507 10 0 CJAERO CC(C)[NH2+]Cc1cccc(-c2ccccc2Cl)c1 ZINC000038078236 174087996 /nfs/dbraw/zinc/08/79/96/174087996.db2.gz FZTFYIKKDNAFHJ-UHFFFAOYSA-N 1 0 259.780 4.505 10 0 CJAERO CC[NH2+][C@@H](C)c1cccc(-c2ccccc2Cl)c1 ZINC000038078240 174088261 /nfs/dbraw/zinc/08/82/61/174088261.db2.gz GCBYCRWVDOOTQA-LBPRGKRZSA-N 1 0 259.780 4.678 10 0 CJAERO CC[NH2+][C@H](C)c1cccc(-c2ccccc2Cl)c1 ZINC000038078241 174088110 /nfs/dbraw/zinc/08/81/10/174088110.db2.gz GCBYCRWVDOOTQA-GFCCVEGCSA-N 1 0 259.780 4.678 10 0 CJAERO CCC[NH2+]Cc1ccccc1-c1ccccc1Cl ZINC000038078244 174088275 /nfs/dbraw/zinc/08/82/75/174088275.db2.gz XRTQWEQEWNOBIJ-UHFFFAOYSA-N 1 0 259.780 4.507 10 0 CJAERO CC(C)[NH2+]Cc1ccccc1-c1ccccc1Cl ZINC000038078245 174088035 /nfs/dbraw/zinc/08/80/35/174088035.db2.gz PUFYSCPQFXRKRJ-UHFFFAOYSA-N 1 0 259.780 4.505 10 0 CJAERO CC(C)[NH2+]Cc1cc(-c2ccccc2Cl)ccc1F ZINC000038078249 174088181 /nfs/dbraw/zinc/08/81/81/174088181.db2.gz FSOITUZDLINMDJ-UHFFFAOYSA-N 1 0 277.770 4.644 10 0 CJAERO CC(C)[NH2+]Cc1ccc(F)c(-c2ccccc2Cl)c1 ZINC000038078251 174088342 /nfs/dbraw/zinc/08/83/42/174088342.db2.gz ZDUUEQGHHVXHHY-UHFFFAOYSA-N 1 0 277.770 4.644 10 0 CJAERO CCC[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000038090853 174104806 /nfs/dbraw/zinc/10/48/06/174104806.db2.gz FYQVOOBRDIEHKN-AWEZNQCLSA-N 1 0 294.851 4.736 10 0 CJAERO CCC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000038090854 174104786 /nfs/dbraw/zinc/10/47/86/174104786.db2.gz FYQVOOBRDIEHKN-CQSZACIVSA-N 1 0 294.851 4.736 10 0 CJAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCC(C)C ZINC000038093732 174107550 /nfs/dbraw/zinc/10/75/50/174107550.db2.gz PPNPVBLOHFDFTP-GFCCVEGCSA-N 1 0 282.497 4.836 10 0 CJAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCC(C)C ZINC000038093733 174107662 /nfs/dbraw/zinc/10/76/62/174107662.db2.gz PPNPVBLOHFDFTP-LBPRGKRZSA-N 1 0 282.497 4.836 10 0 CJAERO CC(C)CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000038093734 174107557 /nfs/dbraw/zinc/10/75/57/174107557.db2.gz UHQWUPFAIBPBKR-AWEZNQCLSA-N 1 0 273.342 4.706 10 0 CJAERO CC(C)CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000038093735 174107637 /nfs/dbraw/zinc/10/76/37/174107637.db2.gz UHQWUPFAIBPBKR-CQSZACIVSA-N 1 0 273.342 4.706 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1sccc1C ZINC000038130645 174131461 /nfs/dbraw/zinc/13/14/61/174131461.db2.gz VFNCJTFGMVTCSU-AWEZNQCLSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1sccc1C ZINC000038130646 174131654 /nfs/dbraw/zinc/13/16/54/174131654.db2.gz VFNCJTFGMVTCSU-CQSZACIVSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)c1sccc1C ZINC000038131743 174132514 /nfs/dbraw/zinc/13/25/14/174132514.db2.gz ORIJBAZMRITRIM-AWEZNQCLSA-N 1 0 297.826 4.742 10 0 CJAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)c1sccc1C ZINC000038131744 174132559 /nfs/dbraw/zinc/13/25/59/174132559.db2.gz ORIJBAZMRITRIM-CQSZACIVSA-N 1 0 297.826 4.742 10 0 CJAERO CCC[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccsc1 ZINC000038131793 174132418 /nfs/dbraw/zinc/13/24/18/174132418.db2.gz LJXWGDWQRSBCBO-HNNXBMFYSA-N 1 0 297.826 4.824 10 0 CJAERO CCC[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccsc1 ZINC000038131794 174132563 /nfs/dbraw/zinc/13/25/63/174132563.db2.gz LJXWGDWQRSBCBO-OAHLLOKOSA-N 1 0 297.826 4.824 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1sccc1C ZINC000038134421 174132643 /nfs/dbraw/zinc/13/26/43/174132643.db2.gz ADBHIPDYEKZKCL-AWEZNQCLSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1sccc1C ZINC000038134422 174132145 /nfs/dbraw/zinc/13/21/45/174132145.db2.gz ADBHIPDYEKZKCL-CQSZACIVSA-N 1 0 279.836 4.603 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000038134455 174132462 /nfs/dbraw/zinc/13/24/62/174132462.db2.gz SINVQFFWPUGJKR-HNNXBMFYSA-N 1 0 277.795 4.525 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000038134456 174132585 /nfs/dbraw/zinc/13/25/85/174132585.db2.gz SINVQFFWPUGJKR-OAHLLOKOSA-N 1 0 277.795 4.525 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1C)c1sccc1C ZINC000038136101 174133114 /nfs/dbraw/zinc/13/31/14/174133114.db2.gz VIEMGVMGUPTPFZ-INIZCTEOSA-N 1 0 273.445 4.648 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1C)c1sccc1C ZINC000038136102 174132805 /nfs/dbraw/zinc/13/28/05/174132805.db2.gz VIEMGVMGUPTPFZ-MRXNPFEDSA-N 1 0 273.445 4.648 10 0 CJAERO c1ccc2cc(OCCC[NH2+]C3CCCCC3)ccc2c1 ZINC000038779591 174155188 /nfs/dbraw/zinc/15/51/88/174155188.db2.gz LFSGXDXRJJBBFJ-UHFFFAOYSA-N 1 0 283.415 4.531 10 0 CJAERO CCC1(CC)CC(C)(C)C[C@@](C)([NH+]2CCCC2)C1 ZINC000038814381 174155980 /nfs/dbraw/zinc/15/59/80/174155980.db2.gz JURFVVKQIRIWBJ-MRXNPFEDSA-N 1 0 251.458 4.857 10 0 CJAERO CCC1(CC)CC(C)(C)C[C@](C)([NH+]2CCCC2)C1 ZINC000038814383 174156628 /nfs/dbraw/zinc/15/66/28/174156628.db2.gz JURFVVKQIRIWBJ-INIZCTEOSA-N 1 0 251.458 4.857 10 0 CJAERO CC(C)(C)c1ccc([C@H](C[NH3+])CCc2ccccc2)cc1 ZINC000039173595 174164952 /nfs/dbraw/zinc/16/49/52/174164952.db2.gz AQHDVBLLRGCOLZ-SFHVURJKSA-N 1 0 281.443 4.659 10 0 CJAERO CC(C)(C)c1ccc([C@@H](C[NH3+])CCc2ccccc2)cc1 ZINC000039173596 174165076 /nfs/dbraw/zinc/16/50/76/174165076.db2.gz AQHDVBLLRGCOLZ-GOSISDBHSA-N 1 0 281.443 4.659 10 0 CJAERO C[C@H]1CCCC[C@]1(c1cccs1)[NH+]1CCCCC1 ZINC000040163004 174196716 /nfs/dbraw/zinc/19/67/16/174196716.db2.gz DKFAAPPUYWQKKF-HOCLYGCPSA-N 1 0 263.450 4.639 10 0 CJAERO Cc1cc(Nc2cccc(C)c2C)c2ccccc2[nH+]1 ZINC000040400769 174253204 /nfs/dbraw/zinc/25/32/04/174253204.db2.gz AELRXWVREOLLRB-UHFFFAOYSA-N 1 0 262.356 4.904 10 0 CJAERO Cc1cc(C)cc(Nc2cc(C)[nH+]c3ccccc23)c1 ZINC000040400771 174253493 /nfs/dbraw/zinc/25/34/93/174253493.db2.gz DJAKFSBOYAXTJD-UHFFFAOYSA-N 1 0 262.356 4.904 10 0 CJAERO Cc1cc(Nc2ccc(F)cc2F)c2ccccc2[nH+]1 ZINC000040400788 174253229 /nfs/dbraw/zinc/25/32/29/174253229.db2.gz FVNFVQPPDOPACS-UHFFFAOYSA-N 1 0 270.282 4.565 10 0 CJAERO CCc1ccccc1Nc1cc(C)[nH+]c2ccccc12 ZINC000040400801 174253168 /nfs/dbraw/zinc/25/31/68/174253168.db2.gz WABJCDBAOOQCRS-UHFFFAOYSA-N 1 0 262.356 4.849 10 0 CJAERO CCc1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000040400803 174253310 /nfs/dbraw/zinc/25/33/10/174253310.db2.gz GLABCCNZQCQQRC-UHFFFAOYSA-N 1 0 262.356 4.849 10 0 CJAERO C[NH+](C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1 ZINC000040430722 174259919 /nfs/dbraw/zinc/25/99/19/174259919.db2.gz RVVDMQMBQDIWKD-UHFFFAOYSA-N 1 0 294.225 4.646 10 0 CJAERO Cc1nc(C)c([C@@H](C)[NH2+]C2CCCCCCC2)s1 ZINC000040445758 174264918 /nfs/dbraw/zinc/26/49/18/174264918.db2.gz APSMSGYAGACAKR-GFCCVEGCSA-N 1 0 266.454 4.523 10 0 CJAERO Cc1nc(C)c([C@H](C)[NH2+]C2CCCCCCC2)s1 ZINC000040445759 174265113 /nfs/dbraw/zinc/26/51/13/174265113.db2.gz APSMSGYAGACAKR-LBPRGKRZSA-N 1 0 266.454 4.523 10 0 CJAERO FC(F)(F)c1ccc(Cl)c(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC000040449996 174265752 /nfs/dbraw/zinc/26/57/52/174265752.db2.gz RWCIBMPIGBNZLQ-UHFFFAOYSA-N 1 0 297.707 4.629 10 0 CJAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](c2cccs2)C(C)C)s1 ZINC000040518232 174307737 /nfs/dbraw/zinc/30/77/37/174307737.db2.gz AHNACDFQPJZMBB-BXUZGUMPSA-N 1 0 294.489 4.869 10 0 CJAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H](c2cccs2)C(C)C)s1 ZINC000040518233 174307652 /nfs/dbraw/zinc/30/76/52/174307652.db2.gz AHNACDFQPJZMBB-SMDDNHRTSA-N 1 0 294.489 4.869 10 0 CJAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](c2cccs2)C(C)C)s1 ZINC000040518234 174307748 /nfs/dbraw/zinc/30/77/48/174307748.db2.gz AHNACDFQPJZMBB-RISCZKNCSA-N 1 0 294.489 4.869 10 0 CJAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](c2cccs2)C(C)C)s1 ZINC000040518235 174307786 /nfs/dbraw/zinc/30/77/86/174307786.db2.gz AHNACDFQPJZMBB-FZMZJTMJSA-N 1 0 294.489 4.869 10 0 CJAERO CCCCN(C)c1cc(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040570835 174338603 /nfs/dbraw/zinc/33/86/03/174338603.db2.gz HGMGGZBDXCDOFQ-UHFFFAOYSA-N 1 0 296.336 4.798 10 0 CJAERO CCCCNc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC000040570844 174338571 /nfs/dbraw/zinc/33/85/71/174338571.db2.gz SDKMVIQVZZYGMV-UHFFFAOYSA-N 1 0 282.309 4.774 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000040933934 174436522 /nfs/dbraw/zinc/43/65/22/174436522.db2.gz SFXXHLHABMUHPX-CYBMUJFWSA-N 1 0 258.192 4.574 10 0 CJAERO C[C@@H]([NH3+])c1cccc(-c2ccc(Cl)cc2Cl)c1 ZINC000040940997 174437570 /nfs/dbraw/zinc/43/75/70/174437570.db2.gz BXCNPZDWJSWIKM-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO CC(C)c1ccc(-c2csc(C3([NH3+])CCCC3)n2)cc1 ZINC000041164093 328028858 /nfs/dbraw/zinc/02/88/58/328028858.db2.gz VRRQVYNHAZADAU-UHFFFAOYSA-N 1 0 286.444 4.662 10 0 CJAERO [NH3+]C1(c2nc(-c3ccc4ccccc4c3)cs2)CCCC1 ZINC000041164210 328029032 /nfs/dbraw/zinc/02/90/32/328029032.db2.gz FCRKJTZZUAPXBY-UHFFFAOYSA-N 1 0 294.423 4.691 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC)s1 ZINC000041202673 328030164 /nfs/dbraw/zinc/03/01/64/328030164.db2.gz GCRMUJJPBSATBI-QWHCGFSZSA-N 1 0 289.444 4.731 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2OC)s1 ZINC000041202676 328030150 /nfs/dbraw/zinc/03/01/50/328030150.db2.gz GCRMUJJPBSATBI-STQMWFEESA-N 1 0 289.444 4.731 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC)s1 ZINC000041202678 328030009 /nfs/dbraw/zinc/03/00/09/328030009.db2.gz GCRMUJJPBSATBI-CHWSQXEVSA-N 1 0 289.444 4.731 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2OC)s1 ZINC000041202681 328030108 /nfs/dbraw/zinc/03/01/08/328030108.db2.gz GCRMUJJPBSATBI-OLZOCXBDSA-N 1 0 289.444 4.731 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)s1 ZINC000041202904 328029961 /nfs/dbraw/zinc/02/99/61/328029961.db2.gz ZKZURSWBPXJASW-MLGOLLRUSA-N 1 0 271.429 4.649 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)s1 ZINC000041202907 328029947 /nfs/dbraw/zinc/02/99/47/328029947.db2.gz ZKZURSWBPXJASW-BLLLJJGKSA-N 1 0 271.429 4.649 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)s1 ZINC000041202909 328030219 /nfs/dbraw/zinc/03/02/19/328030219.db2.gz ZKZURSWBPXJASW-WBMJQRKESA-N 1 0 271.429 4.649 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)s1 ZINC000041202912 328030094 /nfs/dbraw/zinc/03/00/94/328030094.db2.gz ZKZURSWBPXJASW-LRDDRELGSA-N 1 0 271.429 4.649 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)s1 ZINC000041203105 328030020 /nfs/dbraw/zinc/03/00/20/328030020.db2.gz KUMCBRRBCSBKKH-WDEREUQCSA-N 1 0 265.447 4.784 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)s1 ZINC000041203108 328029985 /nfs/dbraw/zinc/02/99/85/328029985.db2.gz KUMCBRRBCSBKKH-QWRGUYRKSA-N 1 0 265.447 4.784 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)s1 ZINC000041203111 328029978 /nfs/dbraw/zinc/02/99/78/328029978.db2.gz KUMCBRRBCSBKKH-GHMZBOCLSA-N 1 0 265.447 4.784 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)s1 ZINC000041203114 328030177 /nfs/dbraw/zinc/03/01/77/328030177.db2.gz KUMCBRRBCSBKKH-MNOVXSKESA-N 1 0 265.447 4.784 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)s1 ZINC000041203793 328030172 /nfs/dbraw/zinc/03/01/72/328030172.db2.gz PFEROHSSMPUJTF-NWDGAFQWSA-N 1 0 263.406 4.624 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)s1 ZINC000041203796 328029957 /nfs/dbraw/zinc/02/99/57/328029957.db2.gz PFEROHSSMPUJTF-RYUDHWBXSA-N 1 0 263.406 4.624 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)s1 ZINC000041203799 328029951 /nfs/dbraw/zinc/02/99/51/328029951.db2.gz PFEROHSSMPUJTF-VXGBXAGGSA-N 1 0 263.406 4.624 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)s1 ZINC000041203802 328030133 /nfs/dbraw/zinc/03/01/33/328030133.db2.gz PFEROHSSMPUJTF-NEPJUHHUSA-N 1 0 263.406 4.624 10 0 CJAERO CC(C)c1ccc(CCC[NH2+]C2CCCCC2)cc1 ZINC000041345924 174528234 /nfs/dbraw/zinc/52/82/34/174528234.db2.gz RJFKVEQGELDEQK-UHFFFAOYSA-N 1 0 259.437 4.665 10 0 CJAERO CCc1ccc([C@@H](CC[NH2+]C)C2CCCCC2)cc1 ZINC000041345997 174528028 /nfs/dbraw/zinc/52/80/28/174528028.db2.gz ZIOZAYOYVRACGJ-SFHVURJKSA-N 1 0 259.437 4.522 10 0 CJAERO CCc1ccc([C@H](CC[NH2+]C)C2CCCCC2)cc1 ZINC000041346000 174527987 /nfs/dbraw/zinc/52/79/87/174527987.db2.gz ZIOZAYOYVRACGJ-GOSISDBHSA-N 1 0 259.437 4.522 10 0 CJAERO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000041406013 174547512 /nfs/dbraw/zinc/54/75/12/174547512.db2.gz LNUOLEXUNZLVEP-CYBMUJFWSA-N 1 0 272.219 4.616 10 0 CJAERO Cc1ccc(OCc2c(C)cc(C)cc2C)c([C@H](C)[NH3+])c1 ZINC000041441421 174553638 /nfs/dbraw/zinc/55/36/38/174553638.db2.gz SCGQNXVYBFJFQY-INIZCTEOSA-N 1 0 283.415 4.519 10 0 CJAERO C[NH2+]C[C@H](c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000041462479 174556069 /nfs/dbraw/zinc/55/60/69/174556069.db2.gz QKVFBTVIZFSKQA-AWEZNQCLSA-N 1 0 286.246 4.877 10 0 CJAERO CC(C)(C)c1ccc(OCCC[NH2+]C2CCCCC2)cc1 ZINC000041466526 174556839 /nfs/dbraw/zinc/55/68/39/174556839.db2.gz FCICJCXCQXYFLA-UHFFFAOYSA-N 1 0 289.463 4.675 10 0 CJAERO Cc1ccc(C)c(COc2ccc(Cl)cc2[C@@H](C)[NH3+])c1 ZINC000041466777 174557374 /nfs/dbraw/zinc/55/73/74/174557374.db2.gz BKYAHGOMMUYPBA-CYBMUJFWSA-N 1 0 289.806 4.556 10 0 CJAERO Cc1ccc(C)c(COc2ccc(Cl)cc2[C@H](C)[NH3+])c1 ZINC000041466778 174557339 /nfs/dbraw/zinc/55/73/39/174557339.db2.gz BKYAHGOMMUYPBA-ZDUSSCGKSA-N 1 0 289.806 4.556 10 0 CJAERO Cc1cc(OCC[NH2+]CC2CCCCC2)cc(C)c1Cl ZINC000041485753 174560975 /nfs/dbraw/zinc/56/09/75/174560975.db2.gz SPCKZFPGGIANKN-UHFFFAOYSA-N 1 0 295.854 4.506 10 0 CJAERO C[C@H]([NH3+])c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000041485930 174561038 /nfs/dbraw/zinc/56/10/38/174561038.db2.gz LTLSLYCRHAPBLR-JTQLQIEISA-N 1 0 296.197 4.592 10 0 CJAERO C[C@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000041582280 174571313 /nfs/dbraw/zinc/57/13/13/174571313.db2.gz GVNABFFCLMNBGF-INIZCTEOSA-N 1 0 297.442 4.714 10 0 CJAERO C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000041582370 519099665 /nfs/dbraw/zinc/09/96/65/519099665.db2.gz LBBNMBRBCNLLJD-CRAIPNDOSA-N 1 0 289.463 4.531 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2C)c(C)c1 ZINC000042243952 327235624 /nfs/dbraw/zinc/23/56/24/327235624.db2.gz LEPSOSDCBIJSHD-QGZVFWFLSA-N 1 0 267.416 4.771 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000042313640 328765390 /nfs/dbraw/zinc/76/53/90/328765390.db2.gz AWPXEFFUWILONK-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO C[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)[C@@H]1C ZINC000042328633 174686721 /nfs/dbraw/zinc/68/67/21/174686721.db2.gz BVPMSMHZUWNTQK-UNIGVISCSA-N 1 0 263.450 4.614 10 0 CJAERO c1csc([C@@H]([NH2+]CCC2=CCCCC2)C2CC2)c1 ZINC000042328708 174686400 /nfs/dbraw/zinc/68/64/00/174686400.db2.gz ZBQVWMNRIVBUNK-INIZCTEOSA-N 1 0 261.434 4.679 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042328826 174686644 /nfs/dbraw/zinc/68/66/44/174686644.db2.gz UQSXORFSTDEJHZ-SWLSCSKDSA-N 1 0 251.439 4.614 10 0 CJAERO CC(C)CC[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328829 174686370 /nfs/dbraw/zinc/68/63/70/174686370.db2.gz UQSXORFSTDEJHZ-DOMZBBRYSA-N 1 0 251.439 4.614 10 0 CJAERO CC[C@H]([NH2+]Cc1ccc(SC)cc1)c1cccs1 ZINC000042342259 522648225 /nfs/dbraw/zinc/64/82/25/522648225.db2.gz HUDMPMYAMINSJV-AWEZNQCLSA-N 1 0 277.458 4.711 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(SC)cc1)c1cccs1 ZINC000042342262 522878408 /nfs/dbraw/zinc/87/84/08/522878408.db2.gz HUDMPMYAMINSJV-CQSZACIVSA-N 1 0 277.458 4.711 10 0 CJAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000042552883 174791089 /nfs/dbraw/zinc/79/10/89/174791089.db2.gz GKLZKZGPAWBRQP-MXWKQRLJSA-N 1 0 257.780 4.564 10 0 CJAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000042553492 174791313 /nfs/dbraw/zinc/79/13/13/174791313.db2.gz VWJWYQQAHQKTRV-AVHCAHFISA-N 1 0 265.828 4.610 10 0 CJAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000042553578 174791546 /nfs/dbraw/zinc/79/15/46/174791546.db2.gz IAUIHENWNNUNQJ-IWMBGFJWSA-N 1 0 265.828 4.610 10 0 CJAERO CC[C@@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000042553584 174791418 /nfs/dbraw/zinc/79/14/18/174791418.db2.gz IAUIHENWNNUNQJ-KBHBFKLGSA-N 1 0 265.828 4.610 10 0 CJAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000042553587 174791409 /nfs/dbraw/zinc/79/14/09/174791409.db2.gz IAUIHENWNNUNQJ-FEPKRQSRSA-N 1 0 265.828 4.610 10 0 CJAERO CC(C)[C@@H]([NH3+])c1ccc(-c2ccc(Cl)c(F)c2)s1 ZINC000042581755 174805716 /nfs/dbraw/zinc/80/57/16/174805716.db2.gz VDQFTNMTMHJFPN-CQSZACIVSA-N 1 0 283.799 4.863 10 0 CJAERO CC(C)[NH2+]Cc1ccc(-c2ccc(Cl)c(F)c2)s1 ZINC000042581780 174805919 /nfs/dbraw/zinc/80/59/19/174805919.db2.gz FQYVJGFXHNAWPU-UHFFFAOYSA-N 1 0 283.799 4.706 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(Cl)c(F)c2)s1 ZINC000042581801 174805316 /nfs/dbraw/zinc/80/53/16/174805316.db2.gz QYTUOEIOVFIOPG-LBPRGKRZSA-N 1 0 283.799 4.878 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)C(C)C ZINC000042585137 174807982 /nfs/dbraw/zinc/80/79/82/174807982.db2.gz KETZNUCZFHLJQI-YGRLFVJLSA-N 1 0 257.780 4.564 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)C(C)C ZINC000042586085 174808419 /nfs/dbraw/zinc/80/84/19/174808419.db2.gz GSLGAEIRRBXSAP-QMTHXVAHSA-N 1 0 257.780 4.564 10 0 CJAERO CC[C@H]([NH2+]C(c1cccs1)c1cccs1)C(C)C ZINC000042586120 174808573 /nfs/dbraw/zinc/80/85/73/174808573.db2.gz SYGLEJRKRQNRAX-LBPRGKRZSA-N 1 0 279.474 4.923 10 0 CJAERO CC[C@H]([NH2+]CCc1ccsc1)c1ccc(Cl)cc1 ZINC000042599142 174815559 /nfs/dbraw/zinc/81/55/59/174815559.db2.gz OMIGPAZSTXTRBD-HNNXBMFYSA-N 1 0 279.836 4.685 10 0 CJAERO C[NH2+][C@@H](c1cc2c(s1)CCCCC2)c1sccc1C ZINC000042729064 174858255 /nfs/dbraw/zinc/85/82/55/174858255.db2.gz ZIMKBWAAVSRSIQ-HNNXBMFYSA-N 1 0 291.485 4.696 10 0 CJAERO C[NH2+][C@H](c1cc2ccccc2s1)c1sccc1C ZINC000042729121 174858918 /nfs/dbraw/zinc/85/89/18/174858918.db2.gz OSLZNWBQUODKAO-CQSZACIVSA-N 1 0 273.426 4.580 10 0 CJAERO C[NH2+][C@H](c1sccc1C)c1cccc2ccccc21 ZINC000042729155 174858875 /nfs/dbraw/zinc/85/88/75/174858875.db2.gz JFENKABSCFIXLM-INIZCTEOSA-N 1 0 267.397 4.519 10 0 CJAERO CC[C@H](c1ccccc1)[C@H]([NH2+]C)c1sccc1C ZINC000042729158 174858659 /nfs/dbraw/zinc/85/86/59/174858659.db2.gz YTVZVAQNOOYSCA-CABCVRRESA-N 1 0 259.418 4.511 10 0 CJAERO CC[NH2+][C@@H](c1cc2ccccc2s1)c1sccc1C ZINC000042729653 174858714 /nfs/dbraw/zinc/85/87/14/174858714.db2.gz UHKSFMURUURBRR-HNNXBMFYSA-N 1 0 287.453 4.970 10 0 CJAERO CC[NH2+][C@H](c1sccc1C)[C@@H](CC)c1ccccc1 ZINC000042729707 174858447 /nfs/dbraw/zinc/85/84/47/174858447.db2.gz FMOAUIWGIDCTHW-HOTGVXAUSA-N 1 0 273.445 4.901 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2csc3ccccc32)s1 ZINC000042890622 174902654 /nfs/dbraw/zinc/90/26/54/174902654.db2.gz VMLZJEDKFGCOAC-OAHLLOKOSA-N 1 0 273.426 4.573 10 0 CJAERO CC[NH2+][C@@H](Cc1ccsc1)c1csc2ccccc12 ZINC000042891521 174902732 /nfs/dbraw/zinc/90/27/32/174902732.db2.gz UJIVXYHYGVJOIA-HNNXBMFYSA-N 1 0 287.453 4.856 10 0 CJAERO CC[NH2+][C@H](Cc1ccsc1)c1csc2ccccc12 ZINC000042891526 174902447 /nfs/dbraw/zinc/90/24/47/174902447.db2.gz UJIVXYHYGVJOIA-OAHLLOKOSA-N 1 0 287.453 4.856 10 0 CJAERO CC(C)c1ccc(S[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000042900283 174905110 /nfs/dbraw/zinc/90/51/10/174905110.db2.gz SWMYPGNSYSLNBS-KRWDZBQOSA-N 1 0 271.429 4.602 10 0 CJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000042904509 174907396 /nfs/dbraw/zinc/90/73/96/174907396.db2.gz WFKNVWHHIMXQQL-NHYWBVRUSA-N 1 0 277.820 4.521 10 0 CJAERO Cc1ccc([C@H](Sc2ccc(Cl)cc2)[C@@H](C)[NH3+])cc1 ZINC000042911804 174910738 /nfs/dbraw/zinc/91/07/38/174910738.db2.gz IJSSIUAUDVNYPW-MLGOLLRUSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccc([C@H](Sc2ccccc2Cl)[C@H](C)[NH3+])cc1 ZINC000042911926 174910639 /nfs/dbraw/zinc/91/06/39/174910639.db2.gz IZJOYHNRMLPOPS-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccc(C)cc1 ZINC000042942860 174918519 /nfs/dbraw/zinc/91/85/19/174918519.db2.gz ISVQFDYVSXFSDN-SJORKVTESA-N 1 0 271.429 4.566 10 0 CJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1Cl)c1ccc(F)cc1 ZINC000042943078 174918809 /nfs/dbraw/zinc/91/88/09/174918809.db2.gz VUEDASIDBCMLSP-BONVTDFDSA-N 1 0 295.810 4.660 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](Sc1cccs1)c1ccc(C)cc1 ZINC000042943480 174918959 /nfs/dbraw/zinc/91/89/59/174918959.db2.gz KURQISPQILQLNQ-HIFRSBDPSA-N 1 0 277.458 4.627 10 0 CJAERO CC[C@H]([NH3+])[C@H](SC1CCCCC1)c1ccc(F)cc1 ZINC000042943908 174919225 /nfs/dbraw/zinc/91/92/25/174919225.db2.gz OYKWZPQIMSPOCZ-JKSUJKDBSA-N 1 0 281.440 4.670 10 0 CJAERO CC[C@@H]([NH3+])[C@H](SC1CCCCC1)c1ccc(F)cc1 ZINC000042943910 174919335 /nfs/dbraw/zinc/91/93/35/174919335.db2.gz OYKWZPQIMSPOCZ-HZPDHXFCSA-N 1 0 281.440 4.670 10 0 CJAERO [NH3+]C[C@@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000042949935 174923160 /nfs/dbraw/zinc/92/31/60/174923160.db2.gz XHVXRTLJRGQBTD-CQSZACIVSA-N 1 0 298.238 4.786 10 0 CJAERO [NH3+]C[C@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000042949938 174923154 /nfs/dbraw/zinc/92/31/54/174923154.db2.gz XHVXRTLJRGQBTD-AWEZNQCLSA-N 1 0 298.238 4.786 10 0 CJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000042949961 174923368 /nfs/dbraw/zinc/92/33/68/174923368.db2.gz LXDLTQOMVJNXQD-ABAIWWIYSA-N 1 0 277.820 4.521 10 0 CJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000042949967 174923366 /nfs/dbraw/zinc/92/33/66/174923366.db2.gz LXDLTQOMVJNXQD-IAQYHMDHSA-N 1 0 277.820 4.521 10 0 CJAERO [NH3+]C[C@H](Sc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000042950157 174923547 /nfs/dbraw/zinc/92/35/47/174923547.db2.gz QLJIJBAFXAMCGT-AWEZNQCLSA-N 1 0 298.238 4.786 10 0 CJAERO [NH3+]C[C@@H](Sc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000042950159 174923518 /nfs/dbraw/zinc/92/35/18/174923518.db2.gz QLJIJBAFXAMCGT-CQSZACIVSA-N 1 0 298.238 4.786 10 0 CJAERO Cc1ccc(S[C@H](C[NH3+])c2ccc(Cl)cc2)c(C)c1 ZINC000042950175 174923452 /nfs/dbraw/zinc/92/34/52/174923452.db2.gz LJPGZRPAAOIXMH-MRXNPFEDSA-N 1 0 291.847 4.749 10 0 CJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000042950187 174923565 /nfs/dbraw/zinc/92/35/65/174923565.db2.gz SDYXSPIMASQCRO-BMIGLBTASA-N 1 0 295.810 4.660 10 0 CJAERO Cc1ccc(C)c(S[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000042950542 174923777 /nfs/dbraw/zinc/92/37/77/174923777.db2.gz AHFZFWUPANHUOX-MRXNPFEDSA-N 1 0 291.847 4.749 10 0 CJAERO CC[C@H]([NH3+])[C@H](SCc1ccco1)c1ccc(Cl)cc1 ZINC000042950761 174923486 /nfs/dbraw/zinc/92/34/86/174923486.db2.gz QBALBVHTWXRDRV-LSDHHAIUSA-N 1 0 295.835 4.645 10 0 CJAERO CC[C@@H]([NH3+])[C@H](SCc1ccco1)c1ccc(Cl)cc1 ZINC000042950765 174923444 /nfs/dbraw/zinc/92/34/44/174923444.db2.gz QBALBVHTWXRDRV-HUUCEWRRSA-N 1 0 295.835 4.645 10 0 CJAERO CC[C@H]([NH3+])[C@@H](SCc1ccco1)c1ccc(Cl)cc1 ZINC000042950769 174923503 /nfs/dbraw/zinc/92/35/03/174923503.db2.gz QBALBVHTWXRDRV-GJZGRUSLSA-N 1 0 295.835 4.645 10 0 CJAERO CCCCS[C@@H](c1ccc(Cl)cc1)[C@H]([NH3+])CC ZINC000042951027 174923543 /nfs/dbraw/zinc/92/35/43/174923543.db2.gz IOJHXKXVUWMREQ-KGLIPLIRSA-N 1 0 271.857 4.652 10 0 CJAERO Cc1ccccc1S[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042951212 174923673 /nfs/dbraw/zinc/92/36/73/174923673.db2.gz HWROCOVNQCUKCW-MLGOLLRUSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccccc1S[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042951216 174923587 /nfs/dbraw/zinc/92/35/87/174923587.db2.gz HWROCOVNQCUKCW-WBMJQRKESA-N 1 0 291.847 4.829 10 0 CJAERO Cc1cccc([C@@H](Sc2ccc(Cl)cc2)[C@H](C)[NH3+])c1 ZINC000042969510 174933103 /nfs/dbraw/zinc/93/31/03/174933103.db2.gz VDBACLSORIMAGJ-LRDDRELGSA-N 1 0 291.847 4.829 10 0 CJAERO CC[C@@H]([NH3+])[C@H](Sc1ccccc1)c1cccc(C)c1 ZINC000042969526 174933110 /nfs/dbraw/zinc/93/31/10/174933110.db2.gz YAXIFLJGSTVXHZ-IAGOWNOFSA-N 1 0 271.429 4.566 10 0 CJAERO Cc1cccc([C@H](Sc2ccccc2Cl)[C@H](C)[NH3+])c1 ZINC000042969680 174933095 /nfs/dbraw/zinc/93/30/95/174933095.db2.gz LUXGUFGTKSJOEW-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO CC[C@@H]([NH3+])[C@H](SC1CCCCC1)c1cccc(F)c1 ZINC000042974772 174937887 /nfs/dbraw/zinc/93/78/87/174937887.db2.gz ZHKAMTSTJYSOPW-HZPDHXFCSA-N 1 0 281.440 4.670 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC(C)C)c1cccc(Cl)c1 ZINC000043018048 174943996 /nfs/dbraw/zinc/94/39/96/174943996.db2.gz NVZXOMSHWFYYAD-MAZHCROVSA-N 1 0 283.843 4.570 10 0 CJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1)c1cccc(Cl)c1 ZINC000043018894 174944461 /nfs/dbraw/zinc/94/44/61/174944461.db2.gz MOEMJMFCKTVVES-NHYWBVRUSA-N 1 0 277.820 4.521 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1cccc(Cl)c1 ZINC000043018905 174944291 /nfs/dbraw/zinc/94/42/91/174944291.db2.gz LEADIFKSTDDMSD-CVEARBPZSA-N 1 0 291.847 4.911 10 0 CJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1F)c1cccc(Cl)c1 ZINC000043018997 174944264 /nfs/dbraw/zinc/94/42/64/174944264.db2.gz LCLSBFQYSVZDOA-MEBBXXQBSA-N 1 0 295.810 4.660 10 0 CJAERO [NH3+]C[C@H](Sc1ccccc1Cl)c1cccc(Cl)c1 ZINC000043019026 174944535 /nfs/dbraw/zinc/94/45/35/174944535.db2.gz MIVJDKZXUOLAQG-AWEZNQCLSA-N 1 0 298.238 4.786 10 0 CJAERO Cc1ccc(S[C@H](C[NH3+])c2cccc(Cl)c2)cc1C ZINC000043019163 174944438 /nfs/dbraw/zinc/94/44/38/174944438.db2.gz GNWDADWWRIDLDA-MRXNPFEDSA-N 1 0 291.847 4.749 10 0 CJAERO CC[C@@H]([NH3+])[C@H](SCc1ccco1)c1cccc(Cl)c1 ZINC000043019350 174944466 /nfs/dbraw/zinc/94/44/66/174944466.db2.gz GGOVAHLMTPVAHF-HUUCEWRRSA-N 1 0 295.835 4.645 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](SCc1ccco1)c1cccc(Cl)c1 ZINC000043019354 174944227 /nfs/dbraw/zinc/94/42/27/174944227.db2.gz GGOVAHLMTPVAHF-CABCVRRESA-N 1 0 295.835 4.645 10 0 CJAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1cccc(Cl)c1 ZINC000043019385 174944462 /nfs/dbraw/zinc/94/44/62/174944462.db2.gz BAUULGGVZVJFPN-ZIAGYGMSSA-N 1 0 271.857 4.508 10 0 CJAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1cccc(Cl)c1 ZINC000043019387 174944354 /nfs/dbraw/zinc/94/43/54/174944354.db2.gz BAUULGGVZVJFPN-KBPBESRZSA-N 1 0 271.857 4.508 10 0 CJAERO Cc1ccccc1S[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043019572 174944854 /nfs/dbraw/zinc/94/48/54/174944854.db2.gz GSUCZEFIWJLUKZ-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO C[C@@H]([NH3+])[C@H](SC1CCCCC1)c1cccc(Cl)c1 ZINC000043019598 174944738 /nfs/dbraw/zinc/94/47/38/174944738.db2.gz ZZZRPKNQZLNKQL-ABAIWWIYSA-N 1 0 283.868 4.794 10 0 CJAERO C[C@@H]([NH3+])[C@@H](SC1CCCCC1)c1cccc(Cl)c1 ZINC000043019601 174945111 /nfs/dbraw/zinc/94/51/11/174945111.db2.gz ZZZRPKNQZLNKQL-IAQYHMDHSA-N 1 0 283.868 4.794 10 0 CJAERO Cc1cccc(S[C@@H](c2cccc(Cl)c2)[C@H](C)[NH3+])c1 ZINC000043019662 174944960 /nfs/dbraw/zinc/94/49/60/174944960.db2.gz NRWKPHCSPVHCRV-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1cccc(S[C@H](c2cccc(Cl)c2)[C@H](C)[NH3+])c1 ZINC000043019664 174944890 /nfs/dbraw/zinc/94/48/90/174944890.db2.gz NRWKPHCSPVHCRV-LRDDRELGSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccccc1[C@H](Sc1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000043040619 174953134 /nfs/dbraw/zinc/95/31/34/174953134.db2.gz IFOGTYKSHSUBRK-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccccc1[C@@H](Sc1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000043040622 174953308 /nfs/dbraw/zinc/95/33/08/174953308.db2.gz IFOGTYKSHSUBRK-LRDDRELGSA-N 1 0 291.847 4.829 10 0 CJAERO CC[C@@H]([NH3+])[C@H](Sc1ccccc1)c1ccccc1C ZINC000043040645 174953282 /nfs/dbraw/zinc/95/32/82/174953282.db2.gz AVJINLRCKXSPJE-IAGOWNOFSA-N 1 0 271.429 4.566 10 0 CJAERO CC[C@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1C ZINC000043040647 174953378 /nfs/dbraw/zinc/95/33/78/174953378.db2.gz AVJINLRCKXSPJE-IRXDYDNUSA-N 1 0 271.429 4.566 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1C ZINC000043040650 174953195 /nfs/dbraw/zinc/95/31/95/174953195.db2.gz AVJINLRCKXSPJE-SJORKVTESA-N 1 0 271.429 4.566 10 0 CJAERO Cc1ccccc1[C@H](Sc1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043040870 174953129 /nfs/dbraw/zinc/95/31/29/174953129.db2.gz XBFQINIJWSJTON-MLGOLLRUSA-N 1 0 291.847 4.829 10 0 CJAERO CC[C@H]([NH3+])[C@H](Sc1cccs1)c1ccccc1C ZINC000043041338 174953827 /nfs/dbraw/zinc/95/38/27/174953827.db2.gz RDYYBGICIBCLFR-DZGCQCFKSA-N 1 0 277.458 4.627 10 0 CJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(Cl)cc1)c1ccccc1F ZINC000043048982 174958008 /nfs/dbraw/zinc/95/80/08/174958008.db2.gz FUJIUGXFKJOEPI-BMIGLBTASA-N 1 0 295.810 4.660 10 0 CJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1Cl)c1ccccc1F ZINC000043049245 174957782 /nfs/dbraw/zinc/95/77/82/174957782.db2.gz NFTQTXTXAFQFTL-BONVTDFDSA-N 1 0 295.810 4.660 10 0 CJAERO CC[C@H]([NH3+])[C@H](SC1CCCCC1)c1ccccc1F ZINC000043050206 174958313 /nfs/dbraw/zinc/95/83/13/174958313.db2.gz FAVCWMVJKJEYFA-JKSUJKDBSA-N 1 0 281.440 4.670 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](SC1CCCCC1)c1ccccc1F ZINC000043050215 174958271 /nfs/dbraw/zinc/95/82/71/174958271.db2.gz FAVCWMVJKJEYFA-CVEARBPZSA-N 1 0 281.440 4.670 10 0 CJAERO [NH3+]C[C@@H](Sc1ccc(Cl)cc1)c1ccccc1Cl ZINC000043088881 174963540 /nfs/dbraw/zinc/96/35/40/174963540.db2.gz BHQOTUYAXUVIAX-CQSZACIVSA-N 1 0 298.238 4.786 10 0 CJAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1Cl ZINC000043088911 174963617 /nfs/dbraw/zinc/96/36/17/174963617.db2.gz UKKLNCNFAFNOFW-XHDPSFHLSA-N 1 0 277.820 4.521 10 0 CJAERO CC[C@@H]([NH3+])[C@H](Sc1ccccc1)c1ccccc1Cl ZINC000043088920 174963717 /nfs/dbraw/zinc/96/37/17/174963717.db2.gz WRAMTUQTXRFXQI-HZPDHXFCSA-N 1 0 291.847 4.911 10 0 CJAERO C[C@H]([NH3+])[C@H](SCc1ccccc1)c1ccccc1Cl ZINC000043088992 174963585 /nfs/dbraw/zinc/96/35/85/174963585.db2.gz WSUODVOASYYSLR-LRDDRELGSA-N 1 0 291.847 4.662 10 0 CJAERO C[C@H]([NH3+])[C@@H](SCc1ccccc1)c1ccccc1Cl ZINC000043088997 174963556 /nfs/dbraw/zinc/96/35/56/174963556.db2.gz WSUODVOASYYSLR-BLLLJJGKSA-N 1 0 291.847 4.662 10 0 CJAERO Cc1ccc(S[C@@H](c2ccccc2Cl)[C@H](C)[NH3+])cc1 ZINC000043089049 174963799 /nfs/dbraw/zinc/96/37/99/174963799.db2.gz SSAZXDDCFQLJNN-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccc(S[C@H](c2ccccc2Cl)[C@H](C)[NH3+])cc1 ZINC000043089052 174963535 /nfs/dbraw/zinc/96/35/35/174963535.db2.gz SSAZXDDCFQLJNN-LRDDRELGSA-N 1 0 291.847 4.829 10 0 CJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1F)c1ccccc1Cl ZINC000043089064 174963557 /nfs/dbraw/zinc/96/35/57/174963557.db2.gz GBWMCZHMSXYRAW-BMIGLBTASA-N 1 0 295.810 4.660 10 0 CJAERO Cc1ccc(S[C@H](C[NH3+])c2ccccc2Cl)cc1C ZINC000043089341 174963760 /nfs/dbraw/zinc/96/37/60/174963760.db2.gz BLEFRPSUOGJZCU-MRXNPFEDSA-N 1 0 291.847 4.749 10 0 CJAERO CC[C@H]([NH3+])[C@@H](Sc1cccs1)c1ccccc1Cl ZINC000043089609 174963602 /nfs/dbraw/zinc/96/36/02/174963602.db2.gz VLTBTSVJBHBPTQ-JSGCOSHPSA-N 1 0 297.876 4.972 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](SCC(C)C)c1ccccc1Cl ZINC000043089696 174963807 /nfs/dbraw/zinc/96/38/07/174963807.db2.gz REBIJBZASPFKHW-KGLIPLIRSA-N 1 0 271.857 4.508 10 0 CJAERO Cc1ccccc1S[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043089957 174963937 /nfs/dbraw/zinc/96/39/37/174963937.db2.gz FTSYYGYRQRCXBZ-MLGOLLRUSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccccc1S[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043089963 174964149 /nfs/dbraw/zinc/96/41/49/174964149.db2.gz FTSYYGYRQRCXBZ-BLLLJJGKSA-N 1 0 291.847 4.829 10 0 CJAERO C[C@H]([NH3+])[C@H](SC1CCCCC1)c1ccccc1Cl ZINC000043090003 174964264 /nfs/dbraw/zinc/96/42/64/174964264.db2.gz OOQAWTIFGSLOPY-NHYWBVRUSA-N 1 0 283.868 4.794 10 0 CJAERO Cc1cccc(S[C@H](c2ccccc2Cl)[C@@H](C)[NH3+])c1 ZINC000043090112 174964250 /nfs/dbraw/zinc/96/42/50/174964250.db2.gz MSOISIFPWMZKKD-WBMJQRKESA-N 1 0 291.847 4.829 10 0 CJAERO CC[C@H]([NH3+])[C@H](Oc1ccc(Cl)cc1C)c1cccs1 ZINC000043108863 174973531 /nfs/dbraw/zinc/97/35/31/174973531.db2.gz VHECOUNWJPBPLK-WFASDCNBSA-N 1 0 295.835 4.567 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1CC)c1cccs1 ZINC000043109510 174973818 /nfs/dbraw/zinc/97/38/18/174973818.db2.gz DQFFHAKOZAEJBB-DSJMHWKBSA-N 1 0 281.465 4.512 10 0 CJAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)c(C)c1)c1cccs1 ZINC000043110188 174974019 /nfs/dbraw/zinc/97/40/19/174974019.db2.gz NLXVSAUXBVRPBR-UKRRQHHQSA-N 1 0 295.835 4.567 10 0 CJAERO CC[C@H]([NH3+])[C@@H](Oc1cc(C)ccc1Cl)c1cccs1 ZINC000043111386 174974381 /nfs/dbraw/zinc/97/43/81/174974381.db2.gz MQQGLNJEGAZEKP-SWLSCSKDSA-N 1 0 295.835 4.567 10 0 CJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(Cl)cc1)c1cccs1 ZINC000043112376 174974362 /nfs/dbraw/zinc/97/43/62/174974362.db2.gz DMOHMGORLANJCD-RNCFNFMXSA-N 1 0 283.849 4.582 10 0 CJAERO CC[C@@H]([NH3+])[C@H](Sc1ccc(Cl)cc1)c1cccs1 ZINC000043112390 174974340 /nfs/dbraw/zinc/97/43/40/174974340.db2.gz PRYZGEMCKUDWEZ-OCCSQVGLSA-N 1 0 297.876 4.972 10 0 CJAERO CC[C@H]([NH3+])[C@@H](Sc1ccc(Cl)cc1)c1cccs1 ZINC000043112394 174974386 /nfs/dbraw/zinc/97/43/86/174974386.db2.gz PRYZGEMCKUDWEZ-GXTWGEPZSA-N 1 0 297.876 4.972 10 0 CJAERO CC[C@H]([NH3+])[C@H](Sc1ccc(C)cc1)c1cccs1 ZINC000043112628 174974534 /nfs/dbraw/zinc/97/45/34/174974534.db2.gz IQMSBZNXOPKGQG-ZFWWWQNUSA-N 1 0 277.458 4.627 10 0 CJAERO CC[C@H]([NH3+])[C@H](Sc1ccccc1Cl)c1cccs1 ZINC000043112804 174974700 /nfs/dbraw/zinc/97/47/00/174974700.db2.gz OVDIMRQCMGYMMR-FZMZJTMJSA-N 1 0 297.876 4.972 10 0 CJAERO CC[C@H]([NH3+])[C@@H](Sc1ccccc1Cl)c1cccs1 ZINC000043112812 174974950 /nfs/dbraw/zinc/97/49/50/174974950.db2.gz OVDIMRQCMGYMMR-SMDDNHRTSA-N 1 0 297.876 4.972 10 0 CJAERO Cc1ccc(S[C@H](c2cccs2)[C@H](C)[NH3+])c(C)c1 ZINC000043112839 174974731 /nfs/dbraw/zinc/97/47/31/174974731.db2.gz LNSLALSHPDIEKT-WFASDCNBSA-N 1 0 277.458 4.546 10 0 CJAERO CC[C@H]([NH3+])[C@H](Sc1ccc(C)cc1C)c1cccs1 ZINC000043112843 174974924 /nfs/dbraw/zinc/97/49/24/174974924.db2.gz GTFZAQMGPPHSLZ-BBRMVZONSA-N 1 0 291.485 4.936 10 0 CJAERO CC[C@H]([NH3+])[C@@H](Sc1ccc(C)cc1C)c1cccs1 ZINC000043112851 174974998 /nfs/dbraw/zinc/97/49/98/174974998.db2.gz GTFZAQMGPPHSLZ-XJKSGUPXSA-N 1 0 291.485 4.936 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000043388437 328789308 /nfs/dbraw/zinc/78/93/08/328789308.db2.gz NZTDODDQFKMEIX-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1Cl ZINC000043388457 328789389 /nfs/dbraw/zinc/78/93/89/328789389.db2.gz VKEYNJMPQWUAID-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1cccc(Cl)c1 ZINC000043388461 328789312 /nfs/dbraw/zinc/78/93/12/328789312.db2.gz JGUHBTSNJYSKTR-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000043389241 328789144 /nfs/dbraw/zinc/78/91/44/328789144.db2.gz VUVNCUNKBQRCCA-LBPRGKRZSA-N 1 0 291.797 4.892 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)c(C)c1 ZINC000043389823 328789599 /nfs/dbraw/zinc/78/95/99/328789599.db2.gz CPOKBFGRUIUDJG-CYBMUJFWSA-N 1 0 291.797 4.947 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc2ccccc2n1 ZINC000043434791 328787928 /nfs/dbraw/zinc/78/79/28/328787928.db2.gz NLPCLBOEHAXFTB-UHFFFAOYSA-N 1 0 270.420 4.539 10 0 CJAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)sc2Cl)s1 ZINC000043639814 175084106 /nfs/dbraw/zinc/08/41/06/175084106.db2.gz QVFBAUDIPYKWDY-SNVBAGLBSA-N 1 0 292.256 4.727 10 0 CJAERO CCc1ccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)s1 ZINC000043639815 175084249 /nfs/dbraw/zinc/08/42/49/175084249.db2.gz QVFBAUDIPYKWDY-JTQLQIEISA-N 1 0 292.256 4.727 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000044367470 175168315 /nfs/dbraw/zinc/16/83/15/175168315.db2.gz DAAUGDKBPDQBQR-INIZCTEOSA-N 1 0 259.780 4.678 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000044367475 175168114 /nfs/dbraw/zinc/16/81/14/175168114.db2.gz DAAUGDKBPDQBQR-MRXNPFEDSA-N 1 0 259.780 4.678 10 0 CJAERO C[NH2+][C@@H](c1sccc1C)c1ccc(Cl)cc1Cl ZINC000044375198 175168791 /nfs/dbraw/zinc/16/87/91/175168791.db2.gz IBYIBDZNOKXFNO-GFCCVEGCSA-N 1 0 286.227 4.672 10 0 CJAERO C[NH2+][C@H](c1sccc1C)c1ccc(Cl)cc1Cl ZINC000044375202 175168616 /nfs/dbraw/zinc/16/86/16/175168616.db2.gz IBYIBDZNOKXFNO-LBPRGKRZSA-N 1 0 286.227 4.672 10 0 CJAERO C[C@H]([NH3+])Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000044410156 175171543 /nfs/dbraw/zinc/17/15/43/175171543.db2.gz BFIXBXUIEKRLFM-JTQLQIEISA-N 1 0 280.198 4.550 10 0 CJAERO C[C@@H]([NH3+])Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000044410159 175171541 /nfs/dbraw/zinc/17/15/41/175171541.db2.gz BFIXBXUIEKRLFM-SNVBAGLBSA-N 1 0 280.198 4.550 10 0 CJAERO C[C@H]([NH3+])Cc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000044460830 175177788 /nfs/dbraw/zinc/17/77/88/175177788.db2.gz BGMMYAVDOQJPGZ-JTQLQIEISA-N 1 0 296.197 4.675 10 0 CJAERO C[C@@H]([NH3+])Cc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000044460831 175177515 /nfs/dbraw/zinc/17/75/15/175177515.db2.gz BGMMYAVDOQJPGZ-SNVBAGLBSA-N 1 0 296.197 4.675 10 0 CJAERO C[C@H]([NH3+])Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000044461897 175177595 /nfs/dbraw/zinc/17/75/95/175177595.db2.gz ZREXVUQZWSKJKJ-JTQLQIEISA-N 1 0 280.198 4.550 10 0 CJAERO C[C@@H]([NH3+])Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000044461898 175177841 /nfs/dbraw/zinc/17/78/41/175177841.db2.gz ZREXVUQZWSKJKJ-SNVBAGLBSA-N 1 0 280.198 4.550 10 0 CJAERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000044675036 330331720 /nfs/dbraw/zinc/33/17/20/330331720.db2.gz AUXCPRHVBCBKGD-CYZMBNFOSA-N 1 0 277.820 4.608 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000044675039 330331762 /nfs/dbraw/zinc/33/17/62/330331762.db2.gz AUXCPRHVBCBKGD-UHTWSYAYSA-N 1 0 277.820 4.608 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729406 330331321 /nfs/dbraw/zinc/33/13/21/330331321.db2.gz NDLWLLOOJUAQPV-KGLIPLIRSA-N 1 0 287.403 4.707 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044729407 330331254 /nfs/dbraw/zinc/33/12/54/330331254.db2.gz NDLWLLOOJUAQPV-KBPBESRZSA-N 1 0 287.403 4.707 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729408 330331190 /nfs/dbraw/zinc/33/11/90/330331190.db2.gz NDLWLLOOJUAQPV-ZIAGYGMSSA-N 1 0 287.403 4.707 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000044729409 330331294 /nfs/dbraw/zinc/33/12/94/330331294.db2.gz NDLWLLOOJUAQPV-UONOGXRCSA-N 1 0 287.403 4.707 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)c(C)o1 ZINC000044729472 330331245 /nfs/dbraw/zinc/33/12/45/330331245.db2.gz MZVFWYJBJAWPNJ-CABCVRRESA-N 1 0 271.404 4.925 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2)c(C)o1 ZINC000044729473 330331240 /nfs/dbraw/zinc/33/12/40/330331240.db2.gz MZVFWYJBJAWPNJ-GJZGRUSLSA-N 1 0 271.404 4.925 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)c(C)o1 ZINC000044729474 330331282 /nfs/dbraw/zinc/33/12/82/330331282.db2.gz MZVFWYJBJAWPNJ-HUUCEWRRSA-N 1 0 271.404 4.925 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2)c(C)o1 ZINC000044729475 330331265 /nfs/dbraw/zinc/33/12/65/330331265.db2.gz MZVFWYJBJAWPNJ-LSDHHAIUSA-N 1 0 271.404 4.925 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C(C)C)cc2)c1 ZINC000045041352 330337344 /nfs/dbraw/zinc/33/73/44/330337344.db2.gz JCQUSETYGQRGSN-MRXNPFEDSA-N 1 0 267.416 4.969 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(C)C)cc2)c1 ZINC000045041355 330337387 /nfs/dbraw/zinc/33/73/87/330337387.db2.gz JCQUSETYGQRGSN-INIZCTEOSA-N 1 0 267.416 4.969 10 0 CJAERO CC(C)(C)[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1 ZINC000045358649 175362424 /nfs/dbraw/zinc/36/24/24/175362424.db2.gz PEQILCURPMLZOF-UHFFFAOYSA-N 1 0 295.426 4.560 10 0 CJAERO Cc1cccc(Nc2cc(C)[nH+]c3ccc(C)cc23)c1 ZINC000045919807 175386297 /nfs/dbraw/zinc/38/62/97/175386297.db2.gz YXTFMYQPYSRGBX-UHFFFAOYSA-N 1 0 262.356 4.904 10 0 CJAERO Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000047888692 327225278 /nfs/dbraw/zinc/22/52/78/327225278.db2.gz QJLXPVCWYDLRIR-LSDHHAIUSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000047888695 327225201 /nfs/dbraw/zinc/22/52/01/327225201.db2.gz QJLXPVCWYDLRIR-GJZGRUSLSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000047888698 327225173 /nfs/dbraw/zinc/22/51/73/327225173.db2.gz QJLXPVCWYDLRIR-HUUCEWRRSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000047888701 327225257 /nfs/dbraw/zinc/22/52/57/327225257.db2.gz QJLXPVCWYDLRIR-CABCVRRESA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000047888703 327225321 /nfs/dbraw/zinc/22/53/21/327225321.db2.gz PNLLQTCMXWWUDD-LSDHHAIUSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000047888706 327225177 /nfs/dbraw/zinc/22/51/77/327225177.db2.gz PNLLQTCMXWWUDD-GJZGRUSLSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000047888709 327225291 /nfs/dbraw/zinc/22/52/91/327225291.db2.gz PNLLQTCMXWWUDD-HUUCEWRRSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000047888712 327225233 /nfs/dbraw/zinc/22/52/33/327225233.db2.gz PNLLQTCMXWWUDD-CABCVRRESA-N 1 0 285.353 4.514 10 0 CJAERO Cc1ccc(C)c(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000047888782 327225327 /nfs/dbraw/zinc/22/53/27/327225327.db2.gz MZQPZCSOMDFHSN-UHFFFAOYSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1C ZINC000047888785 327225323 /nfs/dbraw/zinc/22/53/23/327225323.db2.gz WWKIWHVDYZNDGP-UHFFFAOYSA-N 1 0 285.353 4.514 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2C)cc1 ZINC000048298490 328048032 /nfs/dbraw/zinc/04/80/32/328048032.db2.gz NSIDKMCECCHYNS-MRXNPFEDSA-N 1 0 267.416 4.717 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2C)cc1 ZINC000048298493 328047960 /nfs/dbraw/zinc/04/79/60/328047960.db2.gz NSIDKMCECCHYNS-INIZCTEOSA-N 1 0 267.416 4.717 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2C)c(C)c1 ZINC000048329427 328051989 /nfs/dbraw/zinc/05/19/89/328051989.db2.gz MRMXZQLLPBRZMC-QGZVFWFLSA-N 1 0 267.416 4.771 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2C)c(C)c1 ZINC000048329429 328052014 /nfs/dbraw/zinc/05/20/14/328052014.db2.gz MRMXZQLLPBRZMC-KRWDZBQOSA-N 1 0 267.416 4.771 10 0 CJAERO CC[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cccs1 ZINC000048417039 260655607 /nfs/dbraw/zinc/65/56/07/260655607.db2.gz MBSFZSOCKKPZFS-CQSZACIVSA-N 1 0 271.385 4.735 10 0 CJAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049154437 524939836 /nfs/dbraw/zinc/93/98/36/524939836.db2.gz LWHRKGRKKANMOI-RYUDHWBXSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049154440 524762390 /nfs/dbraw/zinc/76/23/90/524762390.db2.gz LWHRKGRKKANMOI-NEPJUHHUSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(Cl)cc1 ZINC000049154443 525601828 /nfs/dbraw/zinc/60/18/28/525601828.db2.gz LWHRKGRKKANMOI-NWDGAFQWSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049154446 524763279 /nfs/dbraw/zinc/76/32/79/524763279.db2.gz LWHRKGRKKANMOI-VXGBXAGGSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000049154449 524938716 /nfs/dbraw/zinc/93/87/16/524938716.db2.gz JRZMVVUWGJWMMT-RYUDHWBXSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000049154452 524763602 /nfs/dbraw/zinc/76/36/02/524763602.db2.gz JRZMVVUWGJWMMT-NEPJUHHUSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccccc1Cl ZINC000049154454 525601268 /nfs/dbraw/zinc/60/12/68/525601268.db2.gz JRZMVVUWGJWMMT-NWDGAFQWSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccccc1Cl ZINC000049154456 524764203 /nfs/dbraw/zinc/76/42/03/524764203.db2.gz JRZMVVUWGJWMMT-VXGBXAGGSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049155302 524939309 /nfs/dbraw/zinc/93/93/09/524939309.db2.gz ZJIVCAIANZQQGS-RYUDHWBXSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049155306 524763390 /nfs/dbraw/zinc/76/33/90/524763390.db2.gz ZJIVCAIANZQQGS-NEPJUHHUSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cccc(Cl)c1 ZINC000049155309 525601729 /nfs/dbraw/zinc/60/17/29/525601729.db2.gz ZJIVCAIANZQQGS-NWDGAFQWSA-N 1 0 279.836 4.683 10 0 CJAERO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000049155313 524764510 /nfs/dbraw/zinc/76/45/10/524764510.db2.gz ZJIVCAIANZQQGS-VXGBXAGGSA-N 1 0 279.836 4.683 10 0 CJAERO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccsc1)c1cccs1 ZINC000049156583 519821400 /nfs/dbraw/zinc/82/14/00/519821400.db2.gz KMZCDZPQUHRVJU-WFASDCNBSA-N 1 0 279.474 4.728 10 0 CJAERO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cccs1 ZINC000049156586 519799668 /nfs/dbraw/zinc/79/96/68/519799668.db2.gz KMZCDZPQUHRVJU-SWLSCSKDSA-N 1 0 279.474 4.728 10 0 CJAERO CC(C)[C@H]([NH2+][C@H](C)Cc1ccsc1)c1cccs1 ZINC000049156589 519821667 /nfs/dbraw/zinc/82/16/67/519821667.db2.gz KMZCDZPQUHRVJU-DOMZBBRYSA-N 1 0 279.474 4.728 10 0 CJAERO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccsc1)c1cccs1 ZINC000049156592 519799696 /nfs/dbraw/zinc/79/96/96/519799696.db2.gz KMZCDZPQUHRVJU-IUODEOHRSA-N 1 0 279.474 4.728 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)s1 ZINC000049157403 524026593 /nfs/dbraw/zinc/02/65/93/524026593.db2.gz WRCIKRUKGJRVNS-NWDGAFQWSA-N 1 0 279.474 4.654 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccsc2)s1 ZINC000049157418 524047765 /nfs/dbraw/zinc/04/77/65/524047765.db2.gz WRCIKRUKGJRVNS-NEPJUHHUSA-N 1 0 279.474 4.654 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)s1 ZINC000049160780 525739621 /nfs/dbraw/zinc/73/96/21/525739621.db2.gz HJLLJHDLNJCFTL-QWHCGFSZSA-N 1 0 251.439 4.676 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCCC2)s1 ZINC000049160787 525932629 /nfs/dbraw/zinc/93/26/29/525932629.db2.gz HJLLJHDLNJCFTL-STQMWFEESA-N 1 0 251.439 4.676 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCCC2)s1 ZINC000049160792 525744355 /nfs/dbraw/zinc/74/43/55/525744355.db2.gz HJLLJHDLNJCFTL-CHWSQXEVSA-N 1 0 251.439 4.676 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCCC2)s1 ZINC000049160798 525940059 /nfs/dbraw/zinc/94/00/59/525940059.db2.gz HJLLJHDLNJCFTL-OLZOCXBDSA-N 1 0 251.439 4.676 10 0 CJAERO CCc1csc2c1CC[NH2+][C@@H]2c1ccc(C(C)(C)C)cc1 ZINC000049453906 175478961 /nfs/dbraw/zinc/47/89/61/175478961.db2.gz JJQCLQWAMVDHJN-QGZVFWFLSA-N 1 0 299.483 4.843 10 0 CJAERO Cc1ccccc1[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000049526246 328367666 /nfs/dbraw/zinc/36/76/66/328367666.db2.gz ZANHCYIGZXQAQI-CQSZACIVSA-N 1 0 262.356 4.716 10 0 CJAERO Cc1ccccc1[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000049526247 328367745 /nfs/dbraw/zinc/36/77/45/328367745.db2.gz ZANHCYIGZXQAQI-AWEZNQCLSA-N 1 0 262.356 4.716 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000049529049 328367697 /nfs/dbraw/zinc/36/76/97/328367697.db2.gz JBOSBMYFLCUQTD-ZFWWWQNUSA-N 1 0 289.444 4.949 10 0 CJAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000049529050 328367658 /nfs/dbraw/zinc/36/76/58/328367658.db2.gz JBOSBMYFLCUQTD-DZGCQCFKSA-N 1 0 289.444 4.949 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000049529051 328367775 /nfs/dbraw/zinc/36/77/75/328367775.db2.gz JBOSBMYFLCUQTD-HIFRSBDPSA-N 1 0 289.444 4.949 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000049529052 328367831 /nfs/dbraw/zinc/36/78/31/328367831.db2.gz JBOSBMYFLCUQTD-UKRRQHHQSA-N 1 0 289.444 4.949 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1nc(C)sc1C)c1cccs1 ZINC000049529298 522702289 /nfs/dbraw/zinc/70/22/89/522702289.db2.gz FJUOBTBIUUVDEC-CABZTGNLSA-N 1 0 280.462 4.623 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1nc(C)sc1C)c1cccs1 ZINC000049529299 522917057 /nfs/dbraw/zinc/91/70/57/522917057.db2.gz FJUOBTBIUUVDEC-JOYOIKCWSA-N 1 0 280.462 4.623 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1nc(C)sc1C)c1cccs1 ZINC000049529300 522744808 /nfs/dbraw/zinc/74/48/08/522744808.db2.gz FJUOBTBIUUVDEC-SKDRFNHKSA-N 1 0 280.462 4.623 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1nc(C)sc1C)c1cccs1 ZINC000049529301 522940032 /nfs/dbraw/zinc/94/00/32/522940032.db2.gz FJUOBTBIUUVDEC-BXKDBHETSA-N 1 0 280.462 4.623 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cccs1 ZINC000049529476 522689203 /nfs/dbraw/zinc/68/92/03/522689203.db2.gz VKCDUEJHZDPBNT-JSGCOSHPSA-N 1 0 251.439 4.758 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cccs1 ZINC000049529477 522906977 /nfs/dbraw/zinc/90/69/77/522906977.db2.gz VKCDUEJHZDPBNT-GXTWGEPZSA-N 1 0 251.439 4.758 10 0 CJAERO CC[C@H]([NH2+][C@H](C)C1CCCCC1)c1cccs1 ZINC000049529478 522730552 /nfs/dbraw/zinc/73/05/52/522730552.db2.gz VKCDUEJHZDPBNT-OCCSQVGLSA-N 1 0 251.439 4.758 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cccs1 ZINC000049529479 522933579 /nfs/dbraw/zinc/93/35/79/522933579.db2.gz VKCDUEJHZDPBNT-TZMCWYRMSA-N 1 0 251.439 4.758 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1cccs1 ZINC000049529484 522698656 /nfs/dbraw/zinc/69/86/56/522698656.db2.gz BKGHTVDRVOBTBH-ZFWWWQNUSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1cccs1 ZINC000049529485 522914982 /nfs/dbraw/zinc/91/49/82/522914982.db2.gz BKGHTVDRVOBTBH-DZGCQCFKSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1cccs1 ZINC000049529486 522737964 /nfs/dbraw/zinc/73/79/64/522737964.db2.gz BKGHTVDRVOBTBH-HIFRSBDPSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1cccs1 ZINC000049529487 522938413 /nfs/dbraw/zinc/93/84/13/522938413.db2.gz BKGHTVDRVOBTBH-UKRRQHHQSA-N 1 0 259.418 4.858 10 0 CJAERO CCC[C@H]([NH2+]Cc1ccc(F)cc1)c1cccs1 ZINC000049540861 521164022 /nfs/dbraw/zinc/16/40/22/521164022.db2.gz BZNMPGVZSQKMES-AWEZNQCLSA-N 1 0 263.381 4.518 10 0 CJAERO CCC[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccs1 ZINC000049540862 520780326 /nfs/dbraw/zinc/78/03/26/520780326.db2.gz BZNMPGVZSQKMES-CQSZACIVSA-N 1 0 263.381 4.518 10 0 CJAERO CCC[C@H]([NH2+]Cc1ccc(C)cc1)c1cccs1 ZINC000049540895 521163262 /nfs/dbraw/zinc/16/32/62/521163262.db2.gz OFECMTCCLAULQG-HNNXBMFYSA-N 1 0 259.418 4.688 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1ccccc1)c1cccs1 ZINC000049540969 521169793 /nfs/dbraw/zinc/16/97/93/521169793.db2.gz GYKZBAJWJNTYHH-ZFWWWQNUSA-N 1 0 259.418 4.940 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cccs1 ZINC000049540970 520789422 /nfs/dbraw/zinc/78/94/22/520789422.db2.gz GYKZBAJWJNTYHH-DZGCQCFKSA-N 1 0 259.418 4.940 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)c1ccccc1)c1cccs1 ZINC000049540971 521176395 /nfs/dbraw/zinc/17/63/95/521176395.db2.gz GYKZBAJWJNTYHH-HIFRSBDPSA-N 1 0 259.418 4.940 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)c1ccccc1)c1cccs1 ZINC000049540972 520792698 /nfs/dbraw/zinc/79/26/98/520792698.db2.gz GYKZBAJWJNTYHH-UKRRQHHQSA-N 1 0 259.418 4.940 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccs1 ZINC000049541073 521170694 /nfs/dbraw/zinc/17/06/94/521170694.db2.gz XENBXOVLLBYLLZ-STQMWFEESA-N 1 0 263.406 4.842 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccs1 ZINC000049541075 521175503 /nfs/dbraw/zinc/17/55/03/521175503.db2.gz XENBXOVLLBYLLZ-OLZOCXBDSA-N 1 0 263.406 4.842 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1scnc1C)c1cccs1 ZINC000049541782 521169781 /nfs/dbraw/zinc/16/97/81/521169781.db2.gz BLHNACXGHZLGHP-RYUDHWBXSA-N 1 0 280.462 4.705 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)c1scnc1C)c1cccs1 ZINC000049541783 520787565 /nfs/dbraw/zinc/78/75/65/520787565.db2.gz BLHNACXGHZLGHP-NWDGAFQWSA-N 1 0 280.462 4.705 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)c1scnc1C)c1cccs1 ZINC000049541785 520793958 /nfs/dbraw/zinc/79/39/58/520793958.db2.gz BLHNACXGHZLGHP-VXGBXAGGSA-N 1 0 280.462 4.705 10 0 CJAERO CCCc1ccccc1-c1ccc([C@H]([NH3+])CC)s1 ZINC000049559777 521430891 /nfs/dbraw/zinc/43/08/91/521430891.db2.gz ZDZLWDDWJBBUHQ-CQSZACIVSA-N 1 0 259.418 4.777 10 0 CJAERO CCCc1ccccc1-c1ccc([C@@H]([NH3+])CC)s1 ZINC000049559778 521429743 /nfs/dbraw/zinc/42/97/43/521429743.db2.gz ZDZLWDDWJBBUHQ-AWEZNQCLSA-N 1 0 259.418 4.777 10 0 CJAERO CCCc1ccccc1-c1ccc([C@@H](C)[NH2+]C)s1 ZINC000049559783 521430725 /nfs/dbraw/zinc/43/07/25/521430725.db2.gz WYBCZFSIEPZWDQ-GFCCVEGCSA-N 1 0 259.418 4.648 10 0 CJAERO CCCc1ccccc1-c1ccc([C@H](C)[NH2+]C)s1 ZINC000049559784 521430694 /nfs/dbraw/zinc/43/06/94/521430694.db2.gz WYBCZFSIEPZWDQ-LBPRGKRZSA-N 1 0 259.418 4.648 10 0 CJAERO Fc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1F ZINC000049577278 328372641 /nfs/dbraw/zinc/37/26/41/328372641.db2.gz XWWUHDJUUQBYFA-SFHVURJKSA-N 1 0 287.353 4.522 10 0 CJAERO Fc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1F ZINC000049577279 328372682 /nfs/dbraw/zinc/37/26/82/328372682.db2.gz XWWUHDJUUQBYFA-GOSISDBHSA-N 1 0 287.353 4.522 10 0 CJAERO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000049577387 328372657 /nfs/dbraw/zinc/37/26/57/328372657.db2.gz KXDGKPPNWOYOKP-VIFPVBQESA-N 1 0 299.723 4.608 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000049577388 328372718 /nfs/dbraw/zinc/37/27/18/328372718.db2.gz KXDGKPPNWOYOKP-SECBINFHSA-N 1 0 299.723 4.608 10 0 CJAERO C[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1=[NH2+] ZINC000049584016 526047479 /nfs/dbraw/zinc/04/74/79/526047479.db2.gz SJYAEWJKQNTVAG-VIFPVBQESA-N 1 0 271.191 4.518 10 0 CJAERO C[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1=[NH2+] ZINC000049584018 526052091 /nfs/dbraw/zinc/05/20/91/526052091.db2.gz SJYAEWJKQNTVAG-SECBINFHSA-N 1 0 271.191 4.518 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000049592764 328373641 /nfs/dbraw/zinc/37/36/41/328373641.db2.gz WGAHUERXYBDBPB-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000049592765 328373746 /nfs/dbraw/zinc/37/37/46/328373746.db2.gz WGAHUERXYBDBPB-SNVBAGLBSA-N 1 0 298.188 4.983 10 0 CJAERO Cc1cc(C)cc(C[NH2+][C@H](c2cccs2)C(C)C)c1 ZINC000049900735 524386701 /nfs/dbraw/zinc/38/67/01/524386701.db2.gz AOUJFMBZZJNMRS-KRWDZBQOSA-N 1 0 273.445 4.852 10 0 CJAERO C[C@H]([NH2+]Cc1csc2ccccc12)c1cccs1 ZINC000049943253 328379468 /nfs/dbraw/zinc/37/94/68/328379468.db2.gz VSYABOBPSAKKHE-NSHDSACASA-N 1 0 273.426 4.814 10 0 CJAERO C[C@@H]([NH2+]Cc1csc2ccccc12)c1cccs1 ZINC000049943254 328379587 /nfs/dbraw/zinc/37/95/87/328379587.db2.gz VSYABOBPSAKKHE-LLVKDONJSA-N 1 0 273.426 4.814 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000049943275 327299136 /nfs/dbraw/zinc/29/91/36/327299136.db2.gz UGZSQEYJAPNTDL-ZDUSSCGKSA-N 1 0 297.423 4.761 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000049943276 328379546 /nfs/dbraw/zinc/37/95/46/328379546.db2.gz UGZSQEYJAPNTDL-CYBMUJFWSA-N 1 0 297.423 4.761 10 0 CJAERO c1sc2ccccc2c1C[NH2+][C@H]1CCc2ccccc21 ZINC000049943351 328379557 /nfs/dbraw/zinc/37/95/57/328379557.db2.gz RZIGVWDZTGEYFF-KRWDZBQOSA-N 1 0 279.408 4.678 10 0 CJAERO c1sc2ccccc2c1C[NH2+][C@@H]1CCc2ccccc21 ZINC000049943352 328379553 /nfs/dbraw/zinc/37/95/53/328379553.db2.gz RZIGVWDZTGEYFF-QGZVFWFLSA-N 1 0 279.408 4.678 10 0 CJAERO CCC1CCC([NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000049956848 519856836 /nfs/dbraw/zinc/85/68/36/519856836.db2.gz YWUJFMNUEKUINR-LDZOIKDWSA-N 1 0 263.450 4.758 10 0 CJAERO CCCOc1cccc(C[NH2+][C@@H](CC)c2ccccc2)c1 ZINC000050198258 328391501 /nfs/dbraw/zinc/39/15/01/328391501.db2.gz CICSYUXQSSHBKV-IBGZPJMESA-N 1 0 283.415 4.716 10 0 CJAERO CCCOc1cccc(C[NH2+][C@H](CC)c2ccccc2)c1 ZINC000050198259 328391531 /nfs/dbraw/zinc/39/15/31/328391531.db2.gz CICSYUXQSSHBKV-LJQANCHMSA-N 1 0 283.415 4.716 10 0 CJAERO CC[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000050198266 328391535 /nfs/dbraw/zinc/39/15/35/328391535.db2.gz IEILHBOQWYUHBZ-INIZCTEOSA-N 1 0 277.770 4.720 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000050198268 328391464 /nfs/dbraw/zinc/39/14/64/328391464.db2.gz IEILHBOQWYUHBZ-MRXNPFEDSA-N 1 0 277.770 4.720 10 0 CJAERO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1C)c1ccccc1 ZINC000050198475 328391666 /nfs/dbraw/zinc/39/16/66/328391666.db2.gz ZEQHWRJBSWYHEU-IBGZPJMESA-N 1 0 267.416 4.853 10 0 CJAERO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1C)c1ccccc1 ZINC000050198476 328391466 /nfs/dbraw/zinc/39/14/66/328391466.db2.gz ZEQHWRJBSWYHEU-LJQANCHMSA-N 1 0 267.416 4.853 10 0 CJAERO CC[C@@H]([NH2+]Cc1cccc(C)c1C)c1ccccc1 ZINC000050198485 328391462 /nfs/dbraw/zinc/39/14/62/328391462.db2.gz SAHPIVQLGSVNMW-GOSISDBHSA-N 1 0 253.389 4.544 10 0 CJAERO CC[C@H]([NH2+]Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000050198487 522647235 /nfs/dbraw/zinc/64/72/35/522647235.db2.gz QQUWUABQFWMLMT-SFHVURJKSA-N 1 0 253.389 4.544 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000050198488 327310417 /nfs/dbraw/zinc/31/04/17/327310417.db2.gz QQUWUABQFWMLMT-GOSISDBHSA-N 1 0 253.389 4.544 10 0 CJAERO CC[C@@H]([NH2+]Cc1cc(C)ccc1C)c1ccccc1 ZINC000050198521 328391483 /nfs/dbraw/zinc/39/14/83/328391483.db2.gz FLUVTKBUFPQYRT-GOSISDBHSA-N 1 0 253.389 4.544 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1C ZINC000050198784 525732640 /nfs/dbraw/zinc/73/26/40/525732640.db2.gz LJAOOBTUESFUNJ-CQSZACIVSA-N 1 0 273.807 4.808 10 0 CJAERO CC[NH2+][C@@H](C1=CCCC1)c1ccc2ccccc2c1 ZINC000050327646 520081778 /nfs/dbraw/zinc/08/17/78/520081778.db2.gz LHBZTKRGGLOXDK-SFHVURJKSA-N 1 0 251.373 4.601 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Br)o1)C1=CCCCCC1 ZINC000050328550 520109025 /nfs/dbraw/zinc/10/90/25/520109025.db2.gz RIRODQQJRGKJLR-CQSZACIVSA-N 1 0 298.224 4.583 10 0 CJAERO CC(C)[C@H]([NH2+][C@@H](C)c1ccsc1)c1cccs1 ZINC000050342228 519821493 /nfs/dbraw/zinc/82/14/93/519821493.db2.gz MDHYTZTWQGQVHY-FZMZJTMJSA-N 1 0 265.447 4.858 10 0 CJAERO CC[NH2+]C(c1ccccc1Cl)c1ccccc1Cl ZINC000050438835 519908813 /nfs/dbraw/zinc/90/88/13/519908813.db2.gz ICYKXTLVXOZHBP-UHFFFAOYSA-N 1 0 280.198 4.692 10 0 CJAERO CCCCO[C@@H](C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC000050483027 520823610 /nfs/dbraw/zinc/82/36/10/520823610.db2.gz FPHGXOOJMVGFAK-HNNXBMFYSA-N 1 0 283.843 4.586 10 0 CJAERO CCCCO[C@H](C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC000050483028 520842698 /nfs/dbraw/zinc/84/26/98/520842698.db2.gz FPHGXOOJMVGFAK-OAHLLOKOSA-N 1 0 283.843 4.586 10 0 CJAERO CC(C)(C)[NH2+]C[C@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000050483790 518761263 /nfs/dbraw/zinc/76/12/63/518761263.db2.gz DFHJRULFOUKBKG-AWEZNQCLSA-N 1 0 283.843 4.584 10 0 CJAERO CC(C)(C)[NH2+]C[C@@H](OC(C)(C)C)c1ccc(Cl)cc1 ZINC000050483791 518758945 /nfs/dbraw/zinc/75/89/45/518758945.db2.gz DFHJRULFOUKBKG-CQSZACIVSA-N 1 0 283.843 4.584 10 0 CJAERO CC(C)(C)[NH2+]C[C@H](OC(C)(C)C)c1cccc(Cl)c1 ZINC000050484012 518760437 /nfs/dbraw/zinc/76/04/37/518760437.db2.gz UJENJUUXGOGFBY-AWEZNQCLSA-N 1 0 283.843 4.584 10 0 CJAERO CC(C)(C)[NH2+]C[C@@H](OC(C)(C)C)c1cccc(Cl)c1 ZINC000050484013 518759156 /nfs/dbraw/zinc/75/91/56/518759156.db2.gz UJENJUUXGOGFBY-CQSZACIVSA-N 1 0 283.843 4.584 10 0 CJAERO CCCCCO[C@@H](C[NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000050500765 520245239 /nfs/dbraw/zinc/24/52/39/520245239.db2.gz ATVCXEQZXZXUTL-INIZCTEOSA-N 1 0 283.843 4.586 10 0 CJAERO CCCCCO[C@H](C[NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000050500766 520248424 /nfs/dbraw/zinc/24/84/24/520248424.db2.gz ATVCXEQZXZXUTL-MRXNPFEDSA-N 1 0 283.843 4.586 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)ccc1F ZINC000050544667 328442419 /nfs/dbraw/zinc/44/24/19/328442419.db2.gz GNUMORYGBCGLSF-LBPRGKRZSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)ccc1F ZINC000050544668 328442455 /nfs/dbraw/zinc/44/24/55/328442455.db2.gz GNUMORYGBCGLSF-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)ccc1F ZINC000050544677 328442534 /nfs/dbraw/zinc/44/25/34/328442534.db2.gz FPHCYIGBJFOMMH-LBPRGKRZSA-N 1 0 277.770 4.638 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)cc1 ZINC000050545242 328442675 /nfs/dbraw/zinc/44/26/75/328442675.db2.gz VOMUJROTPVGUBW-CQSZACIVSA-N 1 0 271.379 4.547 10 0 CJAERO Cc1cc(C[NH2+][C@@H](c2cccs2)C(C)C)ccc1F ZINC000050545357 524769421 /nfs/dbraw/zinc/76/94/21/524769421.db2.gz YVMOXLPDHPISAH-MRXNPFEDSA-N 1 0 277.408 4.683 10 0 CJAERO Cc1cc(C[NH2+][C@H](c2cccs2)C(C)C)ccc1F ZINC000050545358 524780428 /nfs/dbraw/zinc/78/04/28/524780428.db2.gz YVMOXLPDHPISAH-INIZCTEOSA-N 1 0 277.408 4.683 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)c(C)c1 ZINC000050545558 328442873 /nfs/dbraw/zinc/44/28/73/328442873.db2.gz DZYIOAYDYXQDOI-OAHLLOKOSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)c(C)c1 ZINC000050545559 328442711 /nfs/dbraw/zinc/44/27/11/328442711.db2.gz DZYIOAYDYXQDOI-HNNXBMFYSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000050575238 524978788 /nfs/dbraw/zinc/97/87/88/524978788.db2.gz MCESWNWZRJWREW-JTQLQIEISA-N 1 0 283.799 4.700 10 0 CJAERO Cc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000050575241 524979030 /nfs/dbraw/zinc/97/90/30/524979030.db2.gz MCESWNWZRJWREW-SNVBAGLBSA-N 1 0 283.799 4.700 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000050887245 521011397 /nfs/dbraw/zinc/01/13/97/521011397.db2.gz SUZJUFKIRAKEMT-NEPJUHHUSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000050887246 521151771 /nfs/dbraw/zinc/15/17/71/521151771.db2.gz SUZJUFKIRAKEMT-RYUDHWBXSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000050887247 521011327 /nfs/dbraw/zinc/01/13/27/521011327.db2.gz SUZJUFKIRAKEMT-VXGBXAGGSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000050887248 521151847 /nfs/dbraw/zinc/15/18/47/521151847.db2.gz SUZJUFKIRAKEMT-NWDGAFQWSA-N 1 0 271.351 4.517 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000050887583 521011465 /nfs/dbraw/zinc/01/14/65/521011465.db2.gz LZYIWYDPMIJMBB-BXUZGUMPSA-N 1 0 267.413 4.531 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000050887584 521153073 /nfs/dbraw/zinc/15/30/73/521153073.db2.gz LZYIWYDPMIJMBB-SMDDNHRTSA-N 1 0 267.413 4.531 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000050887585 521010975 /nfs/dbraw/zinc/01/09/75/521010975.db2.gz LZYIWYDPMIJMBB-RISCZKNCSA-N 1 0 267.413 4.531 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000050887586 521153189 /nfs/dbraw/zinc/15/31/89/521153189.db2.gz LZYIWYDPMIJMBB-FZMZJTMJSA-N 1 0 267.413 4.531 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1sccc1Br ZINC000050887671 521011101 /nfs/dbraw/zinc/01/11/01/521011101.db2.gz IYYILISCYMZEJU-ZJUUUORDSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H](C)c1sccc1Br ZINC000050887672 521152820 /nfs/dbraw/zinc/15/28/20/521152820.db2.gz IYYILISCYMZEJU-UWVGGRQHSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H](C)c1sccc1Br ZINC000050887673 521010915 /nfs/dbraw/zinc/01/09/15/521010915.db2.gz IYYILISCYMZEJU-NXEZZACHSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H](C)c1sccc1Br ZINC000050887674 521152577 /nfs/dbraw/zinc/15/25/77/521152577.db2.gz IYYILISCYMZEJU-VHSXEESVSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000050887723 521012119 /nfs/dbraw/zinc/01/21/19/521012119.db2.gz UBNBYUUARZTLHW-ZJUUUORDSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000050887724 521153288 /nfs/dbraw/zinc/15/32/88/521153288.db2.gz UBNBYUUARZTLHW-UWVGGRQHSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000050887725 521011764 /nfs/dbraw/zinc/01/17/64/521011764.db2.gz UBNBYUUARZTLHW-NXEZZACHSA-N 1 0 290.270 4.740 10 0 CJAERO CCCC[C@H](C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000050887726 521153066 /nfs/dbraw/zinc/15/30/66/521153066.db2.gz UBNBYUUARZTLHW-VHSXEESVSA-N 1 0 290.270 4.740 10 0 CJAERO Fc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)c(F)c1 ZINC000051016605 328451863 /nfs/dbraw/zinc/45/18/63/328451863.db2.gz YXOLNWNOKJCYJN-GOSISDBHSA-N 1 0 287.353 4.522 10 0 CJAERO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1)c1cccs1 ZINC000051099939 519820641 /nfs/dbraw/zinc/82/06/41/519820641.db2.gz UPHSDQSWVVBCOY-BHMZLHOFSA-N 1 0 271.429 4.748 10 0 CJAERO CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1)c1cccs1 ZINC000051099941 519798890 /nfs/dbraw/zinc/79/88/90/519798890.db2.gz UPHSDQSWVVBCOY-DKISHCGFSA-N 1 0 271.429 4.748 10 0 CJAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000051626293 328626040 /nfs/dbraw/zinc/62/60/40/328626040.db2.gz BDXOXHUJSAXGIJ-QAPCUYQASA-N 1 0 283.415 4.887 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000051626735 328626123 /nfs/dbraw/zinc/62/61/23/328626123.db2.gz XBKNKFJSDXWXQR-YWZLYKJASA-N 1 0 279.427 4.977 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000051626736 328626081 /nfs/dbraw/zinc/62/60/81/328626081.db2.gz XBKNKFJSDXWXQR-MGPUTAFESA-N 1 0 279.427 4.977 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000051626738 328626034 /nfs/dbraw/zinc/62/60/34/328626034.db2.gz XBKNKFJSDXWXQR-QRWLVFNGSA-N 1 0 279.427 4.977 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)c1ccccc1 ZINC000051626979 328626087 /nfs/dbraw/zinc/62/60/87/328626087.db2.gz RKZMQSDIEXTLIK-SCLBCKFNSA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1ccccc1 ZINC000051626981 328625937 /nfs/dbraw/zinc/62/59/37/328625937.db2.gz RKZMQSDIEXTLIK-ACJLOTCBSA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1F)c1ccccc1 ZINC000051626983 328625935 /nfs/dbraw/zinc/62/59/35/328625935.db2.gz RKZMQSDIEXTLIK-FZKQIMNGSA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000051626985 328626114 /nfs/dbraw/zinc/62/61/14/328626114.db2.gz DDMHNKUXKPFRDA-YJBOKZPZSA-N 1 0 253.389 4.797 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000051626986 328625965 /nfs/dbraw/zinc/62/59/65/328625965.db2.gz DDMHNKUXKPFRDA-MAUKXSAKSA-N 1 0 253.389 4.797 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000051626988 328625945 /nfs/dbraw/zinc/62/59/45/328625945.db2.gz DDMHNKUXKPFRDA-QAPCUYQASA-N 1 0 253.389 4.797 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000051628222 328625955 /nfs/dbraw/zinc/62/59/55/328625955.db2.gz UYRYACRIOIYSIJ-MRXNPFEDSA-N 1 0 277.770 4.720 10 0 CJAERO c1ccc2c(c1)CCC[C@@H]2Nc1cc[nH+]c2ccccc12 ZINC000051632615 328626402 /nfs/dbraw/zinc/62/64/02/328626402.db2.gz UGOKKHILRSWAEW-SFHVURJKSA-N 1 0 274.367 4.724 10 0 CJAERO c1ccc2c(c1)CCC[C@H]2Nc1cc[nH+]c2ccccc12 ZINC000051632616 328626393 /nfs/dbraw/zinc/62/63/93/328626393.db2.gz UGOKKHILRSWAEW-GOSISDBHSA-N 1 0 274.367 4.724 10 0 CJAERO CCC[NH2+][C@H]1CC(C)(C)Cc2nc([C@H](C)CC)sc21 ZINC000051690611 520093115 /nfs/dbraw/zinc/09/31/15/520093115.db2.gz SGBZXQKPZABTER-NEPJUHHUSA-N 1 0 280.481 4.670 10 0 CJAERO C[C@H]([NH2+]C/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000051790109 328634066 /nfs/dbraw/zinc/63/40/66/328634066.db2.gz GZFQSYFAOVVMJJ-MRZGDXHCSA-N 1 0 271.791 4.704 10 0 CJAERO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(Cl)s1 ZINC000051790223 328634224 /nfs/dbraw/zinc/63/42/24/328634224.db2.gz DCPASNVIDYQMCC-FZKGZDJFSA-N 1 0 277.820 4.766 10 0 CJAERO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1Cl ZINC000051790283 328634104 /nfs/dbraw/zinc/63/41/04/328634104.db2.gz ROYBRGBZOASQRH-RNVIBTMRSA-N 1 0 271.791 4.704 10 0 CJAERO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1Cl ZINC000051790285 328634154 /nfs/dbraw/zinc/63/41/54/328634154.db2.gz ROYBRGBZOASQRH-DNGMOHDESA-N 1 0 271.791 4.704 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2cccc3ccccc32)c1 ZINC000052060649 328638254 /nfs/dbraw/zinc/63/82/54/328638254.db2.gz MVZNFKHPCLJMAG-INIZCTEOSA-N 1 0 275.395 4.999 10 0 CJAERO CCc1ccccc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000052200349 521843316 /nfs/dbraw/zinc/84/33/16/521843316.db2.gz PEBYBKSHONWJAD-ZDUSSCGKSA-N 1 0 273.807 4.753 10 0 CJAERO CCc1ccccc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000052200354 521842893 /nfs/dbraw/zinc/84/28/93/521842893.db2.gz PEBYBKSHONWJAD-CYBMUJFWSA-N 1 0 273.807 4.753 10 0 CJAERO Clc1ccc([C@@H]([NH2+]C2CCC2)c2cccs2)s1 ZINC000052208384 526961087 /nfs/dbraw/zinc/96/10/87/526961087.db2.gz HPYXGLHPGXWRBE-ZDUSSCGKSA-N 1 0 283.849 4.695 10 0 CJAERO Clc1ccc([C@H]([NH2+]C2CCC2)c2cccs2)s1 ZINC000052208387 526963514 /nfs/dbraw/zinc/96/35/14/526963514.db2.gz HPYXGLHPGXWRBE-CYBMUJFWSA-N 1 0 283.849 4.695 10 0 CJAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000052274514 525330054 /nfs/dbraw/zinc/33/00/54/525330054.db2.gz NMELIAMGYYYASR-ZDMBXUJBSA-N 1 0 283.849 4.550 10 0 CJAERO C[C@H]1C[C@@H]1[NH2+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000052274515 524855231 /nfs/dbraw/zinc/85/52/31/524855231.db2.gz NMELIAMGYYYASR-RVBZMBCESA-N 1 0 283.849 4.550 10 0 CJAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000052274517 525498927 /nfs/dbraw/zinc/49/89/27/525498927.db2.gz NMELIAMGYYYASR-KKFJDGPESA-N 1 0 283.849 4.550 10 0 CJAERO C[C@H]1C[C@H]1[NH2+][C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000052274519 524965972 /nfs/dbraw/zinc/96/59/72/524965972.db2.gz NMELIAMGYYYASR-RWEMILLDSA-N 1 0 283.849 4.550 10 0 CJAERO Cc1nc(-c2ccccc2Cl)sc1C[NH2+]C(C)(C)C ZINC000052331114 526605702 /nfs/dbraw/zinc/60/57/02/526605702.db2.gz XDICNPITSUPLGW-UHFFFAOYSA-N 1 0 294.851 4.660 10 0 CJAERO Cc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]CC(C)C ZINC000052331188 526573989 /nfs/dbraw/zinc/57/39/89/526573989.db2.gz QGWLACQBUVMUAJ-UHFFFAOYSA-N 1 0 294.851 4.518 10 0 CJAERO Cc1nc(-c2ccccc2Cl)sc1C[NH2+]CC(C)C ZINC000052331297 526606562 /nfs/dbraw/zinc/60/65/62/526606562.db2.gz BAXKZIMINJPJAZ-UHFFFAOYSA-N 1 0 294.851 4.518 10 0 CJAERO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CCCCC1 ZINC000052334496 525546825 /nfs/dbraw/zinc/54/68/25/525546825.db2.gz GUOHPDMQLCRXLH-BLLLJJGKSA-N 1 0 263.450 4.758 10 0 CJAERO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)C1CCCCC1 ZINC000052334499 525628594 /nfs/dbraw/zinc/62/85/94/525628594.db2.gz GUOHPDMQLCRXLH-MLGOLLRUSA-N 1 0 263.450 4.758 10 0 CJAERO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)C1CCCCC1 ZINC000052334501 525600392 /nfs/dbraw/zinc/60/03/92/525600392.db2.gz GUOHPDMQLCRXLH-LRDDRELGSA-N 1 0 263.450 4.758 10 0 CJAERO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)C1CCCCC1 ZINC000052334503 525672110 /nfs/dbraw/zinc/67/21/10/525672110.db2.gz GUOHPDMQLCRXLH-WBMJQRKESA-N 1 0 263.450 4.758 10 0 CJAERO CC[C@@H]1CCCC[C@@H]1OCCCCC[NH2+]C(C)(C)C ZINC000052622035 523205678 /nfs/dbraw/zinc/20/56/78/523205678.db2.gz XJGQOPNHRINSIK-CVEARBPZSA-N 1 0 269.473 4.530 10 0 CJAERO CC[C@H]1CCCC[C@@H]1OCCCCC[NH2+]C(C)(C)C ZINC000052622037 523050846 /nfs/dbraw/zinc/05/08/46/523050846.db2.gz XJGQOPNHRINSIK-HOTGVXAUSA-N 1 0 269.473 4.530 10 0 CJAERO CC[C@@H]1CCCC[C@H]1OCCCCC[NH2+]C(C)(C)C ZINC000052622039 523228355 /nfs/dbraw/zinc/22/83/55/523228355.db2.gz XJGQOPNHRINSIK-HZPDHXFCSA-N 1 0 269.473 4.530 10 0 CJAERO CC[C@H]1CCCC[C@H]1OCCCCC[NH2+]C(C)(C)C ZINC000052622041 523066540 /nfs/dbraw/zinc/06/65/40/523066540.db2.gz XJGQOPNHRINSIK-JKSUJKDBSA-N 1 0 269.473 4.530 10 0 CJAERO CCCCCC[C@@H](C)O[C@@H](C)CCC[NH2+]CCC ZINC000052630937 520120892 /nfs/dbraw/zinc/12/08/92/520120892.db2.gz HINZBSHLOGJBRB-CVEARBPZSA-N 1 0 257.462 4.530 10 0 CJAERO CCCCCC[C@H](C)O[C@@H](C)CCC[NH2+]CCC ZINC000052630938 520132696 /nfs/dbraw/zinc/13/26/96/520132696.db2.gz HINZBSHLOGJBRB-HOTGVXAUSA-N 1 0 257.462 4.530 10 0 CJAERO CCCCCC[C@@H](C)O[C@H](C)CCC[NH2+]CCC ZINC000052630939 520119841 /nfs/dbraw/zinc/11/98/41/520119841.db2.gz HINZBSHLOGJBRB-HZPDHXFCSA-N 1 0 257.462 4.530 10 0 CJAERO CCCCCC[C@H](C)O[C@H](C)CCC[NH2+]CCC ZINC000052630940 520132267 /nfs/dbraw/zinc/13/22/67/520132267.db2.gz HINZBSHLOGJBRB-JKSUJKDBSA-N 1 0 257.462 4.530 10 0 CJAERO CCCCCC[C@@H](C)O[C@@H](C)CCC[NH2+]CC(C)C ZINC000052630953 520120559 /nfs/dbraw/zinc/12/05/59/520120559.db2.gz JTLUHDHJYRZLDU-SJORKVTESA-N 1 0 271.489 4.776 10 0 CJAERO CCCCCC[C@H](C)O[C@@H](C)CCC[NH2+]CC(C)C ZINC000052630954 520132712 /nfs/dbraw/zinc/13/27/12/520132712.db2.gz JTLUHDHJYRZLDU-IRXDYDNUSA-N 1 0 271.489 4.776 10 0 CJAERO CCCCCC[C@@H](C)O[C@H](C)CCC[NH2+]CC(C)C ZINC000052630955 520120385 /nfs/dbraw/zinc/12/03/85/520120385.db2.gz JTLUHDHJYRZLDU-IAGOWNOFSA-N 1 0 271.489 4.776 10 0 CJAERO CCCCCC[C@H](C)O[C@H](C)CCC[NH2+]CC(C)C ZINC000052630956 520132023 /nfs/dbraw/zinc/13/20/23/520132023.db2.gz JTLUHDHJYRZLDU-DLBZAZTESA-N 1 0 271.489 4.776 10 0 CJAERO Cc1cc(O[C@@H](C)CCC[NH2+]C(C)C)cc(C)c1Cl ZINC000052700124 525380928 /nfs/dbraw/zinc/38/09/28/525380928.db2.gz NDKCEBKKXBPCMT-AWEZNQCLSA-N 1 0 283.843 4.502 10 0 CJAERO Cc1cc(O[C@H](C)CCC[NH2+]C(C)C)cc(C)c1Cl ZINC000052700126 525382000 /nfs/dbraw/zinc/38/20/00/525382000.db2.gz NDKCEBKKXBPCMT-CQSZACIVSA-N 1 0 283.843 4.502 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccccc1-c1ccccc1F ZINC000052887781 519990776 /nfs/dbraw/zinc/99/07/76/519990776.db2.gz BJECHHSRISXNFO-ZDUSSCGKSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@H](C)c1ccccc1-c1ccccc1F ZINC000052887782 520065293 /nfs/dbraw/zinc/06/52/93/520065293.db2.gz BJECHHSRISXNFO-CYBMUJFWSA-N 1 0 257.352 4.553 10 0 CJAERO CCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccc1F ZINC000052897896 520017919 /nfs/dbraw/zinc/01/79/19/520017919.db2.gz HFANJGLZZQAPDH-INIZCTEOSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccc1F ZINC000052897898 520090769 /nfs/dbraw/zinc/09/07/69/520090769.db2.gz HFANJGLZZQAPDH-MRXNPFEDSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@@H](c1ccccc1F)c1ccccc1Cl ZINC000052898359 520018559 /nfs/dbraw/zinc/01/85/59/520018559.db2.gz DRHCFMRNZPDCGW-MRXNPFEDSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1ccccc1F)c1ccccc1Cl ZINC000052898361 520091085 /nfs/dbraw/zinc/09/10/85/520091085.db2.gz DRHCFMRNZPDCGW-INIZCTEOSA-N 1 0 277.770 4.568 10 0 CJAERO [NH3+]Cc1c(Cl)cccc1Sc1ccc(Cl)cc1 ZINC000052905246 527243688 /nfs/dbraw/zinc/24/36/88/527243688.db2.gz WTXLUOHHYPVMDH-UHFFFAOYSA-N 1 0 284.211 4.603 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)o1 ZINC000052924086 520064732 /nfs/dbraw/zinc/06/47/32/520064732.db2.gz AGANGPAWEFOKPN-LLVKDONJSA-N 1 0 263.768 4.661 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000052924095 520075240 /nfs/dbraw/zinc/07/52/40/520075240.db2.gz RHPDXLWLVFDQRO-NSHDSACASA-N 1 0 263.768 4.579 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000052924096 520176775 /nfs/dbraw/zinc/17/67/75/520176775.db2.gz RHPDXLWLVFDQRO-LLVKDONJSA-N 1 0 263.768 4.579 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(-c2cccc(C)c2C)o1 ZINC000052924155 519989592 /nfs/dbraw/zinc/98/95/92/519989592.db2.gz HFWWQQKHFXIMAE-AWEZNQCLSA-N 1 0 257.377 4.624 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2cccc(C)c2C)o1 ZINC000052924156 520063180 /nfs/dbraw/zinc/06/31/80/520063180.db2.gz HFWWQQKHFXIMAE-CQSZACIVSA-N 1 0 257.377 4.624 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(-c2cccc(Cl)c2)o1 ZINC000052924165 519989385 /nfs/dbraw/zinc/98/93/85/519989385.db2.gz SYJOVWVTSLASFJ-NSHDSACASA-N 1 0 263.768 4.661 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2cccc(Cl)c2)o1 ZINC000052924166 520064384 /nfs/dbraw/zinc/06/43/84/520064384.db2.gz SYJOVWVTSLASFJ-LLVKDONJSA-N 1 0 263.768 4.661 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000052924179 522328726 /nfs/dbraw/zinc/32/87/26/522328726.db2.gz PYERSNIPNFKJKS-LBPRGKRZSA-N 1 0 257.377 4.525 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000052924180 522445260 /nfs/dbraw/zinc/44/52/60/522445260.db2.gz PYERSNIPNFKJKS-GFCCVEGCSA-N 1 0 257.377 4.525 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(C)cc2Cl)o1 ZINC000052924243 520074685 /nfs/dbraw/zinc/07/46/85/520074685.db2.gz PKTYTVMTWNUPOV-NSHDSACASA-N 1 0 263.768 4.579 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(C)cc2Cl)o1 ZINC000052924244 520176009 /nfs/dbraw/zinc/17/60/09/520176009.db2.gz PKTYTVMTWNUPOV-LLVKDONJSA-N 1 0 263.768 4.579 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000052924321 524862010 /nfs/dbraw/zinc/86/20/10/524862010.db2.gz SCWWMHBGSPUOHG-ZETCQYMHSA-N 1 0 289.684 4.639 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000052924322 525023253 /nfs/dbraw/zinc/02/32/53/525023253.db2.gz SCWWMHBGSPUOHG-SSDOTTSWSA-N 1 0 289.684 4.639 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000052924377 522329470 /nfs/dbraw/zinc/32/94/70/522329470.db2.gz MMASCOHDWWKGLI-QMMMGPOBSA-N 1 0 270.159 4.534 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000052924378 522447897 /nfs/dbraw/zinc/44/78/97/522447897.db2.gz MMASCOHDWWKGLI-MRVPVSSYSA-N 1 0 270.159 4.534 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000052924431 522329591 /nfs/dbraw/zinc/32/95/91/522329591.db2.gz WTNFFSWLSUOPLE-QMMMGPOBSA-N 1 0 270.159 4.534 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000052924432 522445773 /nfs/dbraw/zinc/44/57/73/522445773.db2.gz WTNFFSWLSUOPLE-MRVPVSSYSA-N 1 0 270.159 4.534 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000052924433 520074004 /nfs/dbraw/zinc/07/40/04/520074004.db2.gz SHPVVNUTVCHZAD-VIFPVBQESA-N 1 0 284.186 4.924 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000052924434 520176470 /nfs/dbraw/zinc/17/64/70/520176470.db2.gz SHPVVNUTVCHZAD-SECBINFHSA-N 1 0 284.186 4.924 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000052924441 520074279 /nfs/dbraw/zinc/07/42/79/520074279.db2.gz FDFHHIQPSVEAAN-VIFPVBQESA-N 1 0 284.186 4.924 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000052924442 520176933 /nfs/dbraw/zinc/17/69/33/520176933.db2.gz FDFHHIQPSVEAAN-SECBINFHSA-N 1 0 284.186 4.924 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000052924471 522329385 /nfs/dbraw/zinc/32/93/85/522329385.db2.gz SBYMGIWGNFAFOO-QMMMGPOBSA-N 1 0 270.159 4.534 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000052924472 522443893 /nfs/dbraw/zinc/44/38/93/522443893.db2.gz SBYMGIWGNFAFOO-MRVPVSSYSA-N 1 0 270.159 4.534 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000052924479 524861828 /nfs/dbraw/zinc/86/18/28/524861828.db2.gz CHVCSUNAKXEPLI-LURJTMIESA-N 1 0 290.577 4.927 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000052924480 525023879 /nfs/dbraw/zinc/02/38/79/525023879.db2.gz CHVCSUNAKXEPLI-ZCFIWIBFSA-N 1 0 290.577 4.927 10 0 CJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1cc(C)sc1C ZINC000052944511 522473491 /nfs/dbraw/zinc/47/34/91/522473491.db2.gz IGMFJUUZPPWNLT-OAHLLOKOSA-N 1 0 279.836 4.522 10 0 CJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1cc(C)sc1C ZINC000052944512 522361392 /nfs/dbraw/zinc/36/13/92/522361392.db2.gz IGMFJUUZPPWNLT-HNNXBMFYSA-N 1 0 279.836 4.522 10 0 CJAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1sccc1C ZINC000052944583 520104419 /nfs/dbraw/zinc/10/44/19/520104419.db2.gz JWRBSRZLVARVQW-AWEZNQCLSA-N 1 0 279.836 4.603 10 0 CJAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1sccc1C ZINC000052944584 520202613 /nfs/dbraw/zinc/20/26/13/520202613.db2.gz JWRBSRZLVARVQW-CQSZACIVSA-N 1 0 279.836 4.603 10 0 CJAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1cc2ccccc2s1 ZINC000052944866 527388615 /nfs/dbraw/zinc/38/86/15/527388615.db2.gz QVSRHKZDWQSXTD-CQSZACIVSA-N 1 0 287.815 4.797 10 0 CJAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1cc2ccccc2s1 ZINC000052944867 527335963 /nfs/dbraw/zinc/33/59/63/527335963.db2.gz QVSRHKZDWQSXTD-AWEZNQCLSA-N 1 0 287.815 4.797 10 0 CJAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1cc2c(s1)CCCC2 ZINC000052944924 527335699 /nfs/dbraw/zinc/33/56/99/527335699.db2.gz QLURYDUQQNFWAI-AWEZNQCLSA-N 1 0 291.847 4.523 10 0 CJAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1cc2c(s1)CCCC2 ZINC000052944925 527388598 /nfs/dbraw/zinc/38/85/98/527388598.db2.gz QLURYDUQQNFWAI-CQSZACIVSA-N 1 0 291.847 4.523 10 0 CJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1cc(Cl)ccc1F ZINC000052945066 522361649 /nfs/dbraw/zinc/36/16/49/522361649.db2.gz DRPTTZUYFKVJAX-HNNXBMFYSA-N 1 0 298.188 4.636 10 0 CJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1cc(Cl)ccc1F ZINC000052945067 522472971 /nfs/dbraw/zinc/47/29/71/522472971.db2.gz DRPTTZUYFKVJAX-OAHLLOKOSA-N 1 0 298.188 4.636 10 0 CJAERO C[C@H](C[NH2+]C(C)(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000052966911 524479987 /nfs/dbraw/zinc/47/99/87/524479987.db2.gz SDEJHVLNYHBPHV-JTQLQIEISA-N 1 0 274.235 4.560 10 0 CJAERO C[C@@H](C[NH2+]C(C)(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000052966913 524733505 /nfs/dbraw/zinc/73/35/05/524733505.db2.gz SDEJHVLNYHBPHV-SNVBAGLBSA-N 1 0 274.235 4.560 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cc(C)ccc1F ZINC000052982384 520206464 /nfs/dbraw/zinc/20/64/64/520206464.db2.gz KXUQIANJFPYPDK-MRXNPFEDSA-N 1 0 277.408 4.511 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cc(C)ccc1F ZINC000052982385 520108504 /nfs/dbraw/zinc/10/85/04/520108504.db2.gz KXUQIANJFPYPDK-INIZCTEOSA-N 1 0 277.408 4.511 10 0 CJAERO CCC[NH2+][C@H](c1sccc1C)c1cc(C)ccc1F ZINC000052982677 520092859 /nfs/dbraw/zinc/09/28/59/520092859.db2.gz XROXMZHUTUCWNJ-HNNXBMFYSA-N 1 0 277.408 4.593 10 0 CJAERO CCC[NH2+][C@@H](c1sccc1C)c1cc(C)ccc1F ZINC000052982679 520020183 /nfs/dbraw/zinc/02/01/83/520020183.db2.gz XROXMZHUTUCWNJ-OAHLLOKOSA-N 1 0 277.408 4.593 10 0 CJAERO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)cc1Cl ZINC000053147641 328663286 /nfs/dbraw/zinc/66/32/86/328663286.db2.gz ALRCWMACFOCLNM-JTQLQIEISA-N 1 0 298.188 4.983 10 0 CJAERO Clc1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000053148768 328663294 /nfs/dbraw/zinc/66/32/94/328663294.db2.gz HAGCBXWMXRTSHP-SFHVURJKSA-N 1 0 285.818 4.897 10 0 CJAERO Clc1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000053148770 328663304 /nfs/dbraw/zinc/66/33/04/328663304.db2.gz HAGCBXWMXRTSHP-GOSISDBHSA-N 1 0 285.818 4.897 10 0 CJAERO C[NH+](C)CCCCN1c2ccccc2Sc2ccccc21 ZINC000053156334 524052400 /nfs/dbraw/zinc/05/24/00/524052400.db2.gz GULBNCLSXNTDGC-UHFFFAOYSA-N 1 0 298.455 4.631 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000053712802 522329332 /nfs/dbraw/zinc/32/93/32/522329332.db2.gz OBIROZRMHRRRLQ-NSHDSACASA-N 1 0 279.305 4.653 10 0 CJAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000053755648 525751262 /nfs/dbraw/zinc/75/12/62/525751262.db2.gz MTIUXIUFYJXKOZ-OAHLLOKOSA-N 1 0 298.188 4.549 10 0 CJAERO CCC[C@@]([NH3+])(Cc1ccc(Cl)s1)c1ccccc1 ZINC000053759605 520939216 /nfs/dbraw/zinc/93/92/16/520939216.db2.gz WNYRJISYSADTHC-OAHLLOKOSA-N 1 0 279.836 4.598 10 0 CJAERO CCC[C@]([NH3+])(Cc1ccc(Cl)s1)c1ccccc1 ZINC000053759608 521297011 /nfs/dbraw/zinc/29/70/11/521297011.db2.gz WNYRJISYSADTHC-HNNXBMFYSA-N 1 0 279.836 4.598 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000053790578 522360807 /nfs/dbraw/zinc/36/08/07/522360807.db2.gz MNYCWHXDFLWXQY-HNNXBMFYSA-N 1 0 273.445 4.549 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C(C)C)cc1)c1cccs1 ZINC000053790733 520202069 /nfs/dbraw/zinc/20/20/69/520202069.db2.gz HISMTEOVXLXLGU-MRXNPFEDSA-N 1 0 273.445 4.765 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000053822701 522360212 /nfs/dbraw/zinc/36/02/12/522360212.db2.gz REONWKYJTTTZBP-ZDUSSCGKSA-N 1 0 286.227 4.558 10 0 CJAERO CC[NH2+][C@@H](CCc1ccccc1)Cc1ccc(Cl)s1 ZINC000053832005 520096882 /nfs/dbraw/zinc/09/68/82/520096882.db2.gz NSWKSFSVOFKDFB-AWEZNQCLSA-N 1 0 293.863 4.555 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000054077544 328686857 /nfs/dbraw/zinc/68/68/57/328686857.db2.gz SASTUGZEULDANJ-NWDGAFQWSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C1CCCC1 ZINC000054077545 328686842 /nfs/dbraw/zinc/68/68/42/328686842.db2.gz SASTUGZEULDANJ-NEPJUHHUSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000054077546 328686895 /nfs/dbraw/zinc/68/68/95/328686895.db2.gz SASTUGZEULDANJ-VXGBXAGGSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1Cl ZINC000054077575 328686810 /nfs/dbraw/zinc/68/68/10/328686810.db2.gz BQFLZDBMCHNHPT-RYUDHWBXSA-N 1 0 251.801 4.569 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1Cl ZINC000054077578 328686812 /nfs/dbraw/zinc/68/68/12/328686812.db2.gz BQFLZDBMCHNHPT-VXGBXAGGSA-N 1 0 251.801 4.569 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2ccc(C)cc2C)o1 ZINC000054107055 520185246 /nfs/dbraw/zinc/18/52/46/520185246.db2.gz FENZRAUJHWTWTA-OAHLLOKOSA-N 1 0 257.377 4.624 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2cc(C)ccc2C)o1 ZINC000054107070 517668934 /nfs/dbraw/zinc/66/89/34/517668934.db2.gz XMDIYTOYLXZWRR-HNNXBMFYSA-N 1 0 257.377 4.624 10 0 CJAERO CC[NH2+][C@H](CC)c1ccc(-c2cc(C)ccc2C)o1 ZINC000054107071 520185557 /nfs/dbraw/zinc/18/55/57/520185557.db2.gz XMDIYTOYLXZWRR-OAHLLOKOSA-N 1 0 257.377 4.624 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000054107192 522346019 /nfs/dbraw/zinc/34/60/19/522346019.db2.gz LSRKONSCXONKML-NSHDSACASA-N 1 0 270.159 4.663 10 0 CJAERO CCC[NH2+][C@H](C)c1cnc(-c2cc(Cl)ccc2F)s1 ZINC000054159919 520065677 /nfs/dbraw/zinc/06/56/77/520065677.db2.gz SIURFAYXGHVXJT-SECBINFHSA-N 1 0 298.814 4.663 10 0 CJAERO CCC[NH2+][C@H](C)c1cnc(-c2ccc(Cl)c(F)c2)s1 ZINC000054160395 520065723 /nfs/dbraw/zinc/06/57/23/520065723.db2.gz GYQMXZDTSJOOAG-SECBINFHSA-N 1 0 298.814 4.663 10 0 CJAERO C[C@H]([NH3+])[C@@H](Sc1cccc(Cl)c1)c1ccccc1 ZINC000054185310 524837189 /nfs/dbraw/zinc/83/71/89/524837189.db2.gz XWVYDJKAKTWNEK-XHDPSFHLSA-N 1 0 277.820 4.521 10 0 CJAERO C[C@@H]([NH3+])[C@@H](Sc1cccc(Cl)c1)c1ccccc1 ZINC000054185311 525003960 /nfs/dbraw/zinc/00/39/60/525003960.db2.gz XWVYDJKAKTWNEK-IAQYHMDHSA-N 1 0 277.820 4.521 10 0 CJAERO Cc1ccccc1[C@@H](Sc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000054185325 525377377 /nfs/dbraw/zinc/37/73/77/525377377.db2.gz QLQHRUIRSKNRJB-LRDDRELGSA-N 1 0 291.847 4.829 10 0 CJAERO Cc1ccc([C@H](C[NH3+])Sc2cccc(Cl)c2)s1 ZINC000054185343 525953547 /nfs/dbraw/zinc/95/35/47/525953547.db2.gz WAQWHDYVKBJYGJ-ZDUSSCGKSA-N 1 0 283.849 4.502 10 0 CJAERO Cc1ccsc1C[NH2+]CCSc1cccc(Cl)c1 ZINC000054186623 525860133 /nfs/dbraw/zinc/86/01/33/525860133.db2.gz SVXGKWBYEUCVSR-UHFFFAOYSA-N 1 0 297.876 4.592 10 0 CJAERO CCC(C)(C)[NH2+]C[C@H](C)Sc1cccc(Cl)c1 ZINC000054186649 521352073 /nfs/dbraw/zinc/35/20/73/521352073.db2.gz IFETUPOKKMFRHB-NSHDSACASA-N 1 0 271.857 4.599 10 0 CJAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2F)c(Cl)c1 ZINC000054351603 525476555 /nfs/dbraw/zinc/47/65/55/525476555.db2.gz XZWJAWBIBHLANH-SNVBAGLBSA-N 1 0 279.742 4.600 10 0 CJAERO C[NH2+][C@H](C)c1ccccc1Oc1ccc(C)cc1Cl ZINC000054351644 522454059 /nfs/dbraw/zinc/45/40/59/522454059.db2.gz WXEVUMIKUOJPMV-GFCCVEGCSA-N 1 0 275.779 4.721 10 0 CJAERO Cc1ccc(O[C@@H](C)CCC[NH2+]C(C)(C)C)c(Cl)c1 ZINC000054353145 525459494 /nfs/dbraw/zinc/45/94/94/525459494.db2.gz JJVCQCMNDVHCTR-ZDUSSCGKSA-N 1 0 283.843 4.584 10 0 CJAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccc2ccccc2c1 ZINC000054440465 527339150 /nfs/dbraw/zinc/33/91/50/527339150.db2.gz XTCDOWSIHNWGRF-KRWDZBQOSA-N 1 0 267.759 4.541 10 0 CJAERO CC(C)[NH2+]Cc1cnc(-c2csc3ccccc23)s1 ZINC000054462973 519728736 /nfs/dbraw/zinc/72/87/36/519728736.db2.gz MZDBMIRVXISTKI-UHFFFAOYSA-N 1 0 288.441 4.523 10 0 CJAERO CC[C@@H](C)C[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000054468820 522000224 /nfs/dbraw/zinc/00/02/24/522000224.db2.gz MRAFDKGQFVEFAJ-OCCSQVGLSA-N 1 0 279.474 4.729 10 0 CJAERO CC[C@@H](C)C[NH2+][C@H](Cc1cccs1)c1cccs1 ZINC000054468824 521999408 /nfs/dbraw/zinc/99/94/08/521999408.db2.gz MRAFDKGQFVEFAJ-TZMCWYRMSA-N 1 0 279.474 4.729 10 0 CJAERO CC(C)C1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000054554527 519567546 /nfs/dbraw/zinc/56/75/46/519567546.db2.gz FTQHLQTXQPWOAY-HSBZDZAISA-N 1 0 251.439 4.614 10 0 CJAERO CC(C)C1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000054554528 519566793 /nfs/dbraw/zinc/56/67/93/519566793.db2.gz FTQHLQTXQPWOAY-IYXRBSQSSA-N 1 0 251.439 4.614 10 0 CJAERO CC(C)C1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000054555890 328697412 /nfs/dbraw/zinc/69/74/12/328697412.db2.gz MHCNXOJBFQWYLY-SHWKFHJASA-N 1 0 291.401 4.912 10 0 CJAERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000054555891 328697433 /nfs/dbraw/zinc/69/74/33/328697433.db2.gz MHCNXOJBFQWYLY-HXSCFSKGSA-N 1 0 291.401 4.912 10 0 CJAERO CC(C)C1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000054555892 328697453 /nfs/dbraw/zinc/69/74/53/328697453.db2.gz MHCNXOJBFQWYLY-JYVUQVBGSA-N 1 0 291.401 4.912 10 0 CJAERO Cc1nc(C)c([C@@H](C)[NH2+]C2CCC(C(C)C)CC2)s1 ZINC000054556267 526744764 /nfs/dbraw/zinc/74/47/64/526744764.db2.gz CCTMLJZHGYRJPX-LRVUVFPRSA-N 1 0 280.481 4.625 10 0 CJAERO Cc1nc(C)c([C@H](C)[NH2+]C2CCC(C(C)C)CC2)s1 ZINC000054556268 526751795 /nfs/dbraw/zinc/75/17/95/526751795.db2.gz CCTMLJZHGYRJPX-GRTSSRMGSA-N 1 0 280.481 4.625 10 0 CJAERO CC(C)(C)[NH2+]CC1(Cc2cccs2)CCCCC1 ZINC000054655097 518753447 /nfs/dbraw/zinc/75/34/47/518753447.db2.gz BIZFZIRBINVWEJ-UHFFFAOYSA-N 1 0 265.466 4.629 10 0 CJAERO CCCC[C@@](CC)(CCc1scnc1C)C[NH2+]CC ZINC000054657861 521120144 /nfs/dbraw/zinc/12/01/44/521120144.db2.gz HNTPPJIXXPABAR-INIZCTEOSA-N 1 0 282.497 4.580 10 0 CJAERO CCCC[C@](CC)(CCc1scnc1C)C[NH2+]CC ZINC000054657863 521253965 /nfs/dbraw/zinc/25/39/65/521253965.db2.gz HNTPPJIXXPABAR-MRXNPFEDSA-N 1 0 282.497 4.580 10 0 CJAERO CCCC[C@](CC)(C[NH2+]C(C)(C)C)Cc1cscn1 ZINC000054658174 521255579 /nfs/dbraw/zinc/25/55/79/521255579.db2.gz GYMWKWRGFGKBHJ-INIZCTEOSA-N 1 0 282.497 4.660 10 0 CJAERO CCCC[C@@](CC)(C[NH2+]C(C)(C)C)Cc1cscn1 ZINC000054658176 521121546 /nfs/dbraw/zinc/12/15/46/521121546.db2.gz GYMWKWRGFGKBHJ-MRXNPFEDSA-N 1 0 282.497 4.660 10 0 CJAERO CCC(CC)(C[NH2+]C1CC1)Cc1ccc(Cl)s1 ZINC000054658759 521440019 /nfs/dbraw/zinc/44/00/19/521440019.db2.gz BCBUMWNXRUSGRQ-UHFFFAOYSA-N 1 0 271.857 4.502 10 0 CJAERO CCC(CC)(CCc1scnc1C)C[NH2+]C(C)(C)C ZINC000054658864 521421303 /nfs/dbraw/zinc/42/13/03/521421303.db2.gz IMHNTQHDCWYXCY-UHFFFAOYSA-N 1 0 282.497 4.579 10 0 CJAERO CCC(CC)(CCOCCC(C)C)C[NH2+]C(C)(C)C ZINC000054658871 521421260 /nfs/dbraw/zinc/42/12/60/521421260.db2.gz NKLKGIZCDOTWQN-UHFFFAOYSA-N 1 0 271.489 4.634 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCCc2ccccc21 ZINC000054668816 522367348 /nfs/dbraw/zinc/36/73/48/522367348.db2.gz GAAUYDYADJCJQD-CZUORRHYSA-N 1 0 291.847 4.782 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCCc2ccccc21 ZINC000054668817 522479705 /nfs/dbraw/zinc/47/97/05/522479705.db2.gz GAAUYDYADJCJQD-CJNGLKHVSA-N 1 0 291.847 4.782 10 0 CJAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCCc2ccccc21 ZINC000054668818 522366958 /nfs/dbraw/zinc/36/69/58/522366958.db2.gz GAAUYDYADJCJQD-XJKSGUPXSA-N 1 0 291.847 4.782 10 0 CJAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCCc2ccccc21 ZINC000054668819 522480989 /nfs/dbraw/zinc/48/09/89/522480989.db2.gz GAAUYDYADJCJQD-BBRMVZONSA-N 1 0 291.847 4.782 10 0 CJAERO [NH3+][C@@H](Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000054681099 527334114 /nfs/dbraw/zinc/33/41/14/527334114.db2.gz LZKLZPJNDCWXKS-FQEVSTJZSA-N 1 0 273.379 4.596 10 0 CJAERO [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000054681103 527388194 /nfs/dbraw/zinc/38/81/94/527388194.db2.gz LZKLZPJNDCWXKS-HXUWFJFHSA-N 1 0 273.379 4.596 10 0 CJAERO C[C@@H]([NH3+])[C@@H](S[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000054690145 525004365 /nfs/dbraw/zinc/00/43/65/525004365.db2.gz LUBIAJFBGVELTO-CZPYZCIJSA-N 1 0 281.440 4.526 10 0 CJAERO C[C@@H]([NH3+])[C@@H](S[C@@H]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000054690185 525004877 /nfs/dbraw/zinc/00/48/77/525004877.db2.gz DKDPPKKMBBBLTB-CZPYZCIJSA-N 1 0 281.440 4.526 10 0 CJAERO C[C@@H]([NH3+])[C@@H](S[C@@H]1CCC[C@@H](C)C1)c1ccccc1F ZINC000054690229 525004864 /nfs/dbraw/zinc/00/48/64/525004864.db2.gz BXGFXTTXSUWQJJ-BRXULGCHSA-N 1 0 281.440 4.526 10 0 CJAERO Cc1ccsc1[C@H](S[C@@H]1CCC[C@H](C)C1)[C@@H](C)[NH3+] ZINC000054690364 525891032 /nfs/dbraw/zinc/89/10/32/525891032.db2.gz JRXXWHWNZGTTBF-XTWPYSKKSA-N 1 0 283.506 4.757 10 0 CJAERO Cc1ccsc1[C@H](S[C@@H]1CCC[C@H](C)C1)[C@H](C)[NH3+] ZINC000054690369 525890513 /nfs/dbraw/zinc/89/05/13/525890513.db2.gz JRXXWHWNZGTTBF-MUYACECFSA-N 1 0 283.506 4.757 10 0 CJAERO C[C@@H]([NH3+])c1ccc(S[C@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000054691665 525030494 /nfs/dbraw/zinc/03/04/94/525030494.db2.gz IQQNDPLUCFVKNN-WZRBSPASSA-N 1 0 267.413 4.516 10 0 CJAERO C[C@@H]([NH3+])c1ccc(S[C@H]2CCC[C@H](C)C2)c(F)c1 ZINC000054691668 525030602 /nfs/dbraw/zinc/03/06/02/525030602.db2.gz IQQNDPLUCFVKNN-LOWVWBTDSA-N 1 0 267.413 4.516 10 0 CJAERO C[C@@H]([NH3+])c1ccc(S[C@@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000054691671 525030423 /nfs/dbraw/zinc/03/04/23/525030423.db2.gz IQQNDPLUCFVKNN-NQBHXWOUSA-N 1 0 267.413 4.516 10 0 CJAERO C[C@@H]([NH3+])c1ccc(S[C@@H]2CCC[C@H](C)C2)c(F)c1 ZINC000054691673 525029934 /nfs/dbraw/zinc/02/99/34/525029934.db2.gz IQQNDPLUCFVKNN-DMDPSCGWSA-N 1 0 267.413 4.516 10 0 CJAERO Cc1ccccc1CS[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000054963897 525183063 /nfs/dbraw/zinc/18/30/63/525183063.db2.gz OLDHQKMRQAKATJ-INIZCTEOSA-N 1 0 291.847 4.582 10 0 CJAERO Cc1ccccc1CS[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000054963898 525185428 /nfs/dbraw/zinc/18/54/28/525185428.db2.gz OLDHQKMRQAKATJ-MRXNPFEDSA-N 1 0 291.847 4.582 10 0 CJAERO C[NH2+][C@H](C)c1ccc(SCc2ccccc2C)cc1 ZINC000054964185 522451845 /nfs/dbraw/zinc/45/18/45/522451845.db2.gz LPWVFKFAVHPSLO-CQSZACIVSA-N 1 0 271.429 4.568 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(SCc2ccccc2C)cc1 ZINC000054964186 522335508 /nfs/dbraw/zinc/33/55/08/522335508.db2.gz LPWVFKFAVHPSLO-AWEZNQCLSA-N 1 0 271.429 4.568 10 0 CJAERO Cc1cccc(CS[C@@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000054965526 524460153 /nfs/dbraw/zinc/46/01/53/524460153.db2.gz RAKNVVQOVVEENG-INIZCTEOSA-N 1 0 291.847 4.582 10 0 CJAERO Cc1cccc(CS[C@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000054965528 524461167 /nfs/dbraw/zinc/46/11/67/524461167.db2.gz RAKNVVQOVVEENG-MRXNPFEDSA-N 1 0 291.847 4.582 10 0 CJAERO C[NH2+][C@H](C)c1ccc(SCc2cccc(C)c2)cc1 ZINC000054965826 522452167 /nfs/dbraw/zinc/45/21/67/522452167.db2.gz ZZNZLUMNSUEJQH-CQSZACIVSA-N 1 0 271.429 4.568 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(SCc2cccc(C)c2)cc1 ZINC000054965827 522334637 /nfs/dbraw/zinc/33/46/37/522334637.db2.gz ZZNZLUMNSUEJQH-AWEZNQCLSA-N 1 0 271.429 4.568 10 0 CJAERO [NH3+]CC[C@@H](Sc1cccc(Cl)c1)c1ccccc1 ZINC000055019599 527190779 /nfs/dbraw/zinc/19/07/79/527190779.db2.gz UZLOTMKEGQXICC-OAHLLOKOSA-N 1 0 277.820 4.522 10 0 CJAERO [NH3+]CC[C@H](Sc1cccc(Cl)c1)c1ccccc1 ZINC000055019601 527193194 /nfs/dbraw/zinc/19/31/94/527193194.db2.gz UZLOTMKEGQXICC-HNNXBMFYSA-N 1 0 277.820 4.522 10 0 CJAERO Cc1ccccc1[C@](C)([NH3+])c1cccc(Cl)c1Cl ZINC000055194927 525448737 /nfs/dbraw/zinc/44/87/37/525448737.db2.gz PUWRTCBTXLNQSZ-HNNXBMFYSA-N 1 0 280.198 4.524 10 0 CJAERO Cc1ccccc1[C@@](C)([NH3+])c1cccc(Cl)c1Cl ZINC000055194931 525396842 /nfs/dbraw/zinc/39/68/42/525396842.db2.gz PUWRTCBTXLNQSZ-OAHLLOKOSA-N 1 0 280.198 4.524 10 0 CJAERO CC[C@@]([NH3+])(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000055197633 523684642 /nfs/dbraw/zinc/68/46/42/523684642.db2.gz CHLBINHNPTVLCY-OAHLLOKOSA-N 1 0 280.198 4.606 10 0 CJAERO CC[C@]([NH3+])(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000055197637 523525560 /nfs/dbraw/zinc/52/55/60/523525560.db2.gz CHLBINHNPTVLCY-HNNXBMFYSA-N 1 0 280.198 4.606 10 0 CJAERO Cc1cc(F)ccc1[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000055206107 525007654 /nfs/dbraw/zinc/00/76/54/525007654.db2.gz TYUHGCWVZUSSLN-OAHLLOKOSA-N 1 0 298.188 4.683 10 0 CJAERO Cc1cc(F)ccc1[C@@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000055206111 525004217 /nfs/dbraw/zinc/00/42/17/525004217.db2.gz TYUHGCWVZUSSLN-HNNXBMFYSA-N 1 0 298.188 4.683 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)c1ccc2ccccc2c1 ZINC000055223336 520211258 /nfs/dbraw/zinc/21/12/58/520211258.db2.gz LCXFOQGMTMPASK-KRWDZBQOSA-N 1 0 267.397 4.600 10 0 CJAERO CC[NH2+][C@@H](c1ccsc1)c1ccc2ccccc2c1 ZINC000055223338 520113689 /nfs/dbraw/zinc/11/36/89/520113689.db2.gz LCXFOQGMTMPASK-QGZVFWFLSA-N 1 0 267.397 4.600 10 0 CJAERO C[NH2+][C@@H](c1cccc(C)c1)c1cccc(Cl)c1Cl ZINC000055224029 522372749 /nfs/dbraw/zinc/37/27/49/522372749.db2.gz KXNUEFLXVAVPGH-HNNXBMFYSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@H](c1cccc(C)c1)c1cccc(Cl)c1Cl ZINC000055224031 522484361 /nfs/dbraw/zinc/48/43/61/522484361.db2.gz KXNUEFLXVAVPGH-OAHLLOKOSA-N 1 0 280.198 4.611 10 0 CJAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000055224241 522367704 /nfs/dbraw/zinc/36/77/04/522367704.db2.gz MFWCUPCOZSMQBL-CQSZACIVSA-N 1 0 271.326 4.546 10 0 CJAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000055224243 522478935 /nfs/dbraw/zinc/47/89/35/522478935.db2.gz MFWCUPCOZSMQBL-AWEZNQCLSA-N 1 0 271.326 4.546 10 0 CJAERO C[NH2+][C@@H](c1ccc(F)c(C)c1)c1cc(Cl)ccc1Cl ZINC000055225118 522368085 /nfs/dbraw/zinc/36/80/85/522368085.db2.gz GBCXDOOYSAUCGU-HNNXBMFYSA-N 1 0 298.188 4.750 10 0 CJAERO C[NH2+][C@H](c1ccc(F)c(C)c1)c1cc(Cl)ccc1Cl ZINC000055225120 522479413 /nfs/dbraw/zinc/47/94/13/522479413.db2.gz GBCXDOOYSAUCGU-OAHLLOKOSA-N 1 0 298.188 4.750 10 0 CJAERO [NH3+][C@@H](CCc1ccccc1)c1cccc(Cl)c1Cl ZINC000055225418 527330480 /nfs/dbraw/zinc/33/04/80/527330480.db2.gz LIQQEPUPBRAKSL-AWEZNQCLSA-N 1 0 280.198 4.626 10 0 CJAERO [NH3+][C@H](CCc1ccccc1)c1cccc(Cl)c1Cl ZINC000055225421 527386011 /nfs/dbraw/zinc/38/60/11/527386011.db2.gz LIQQEPUPBRAKSL-CQSZACIVSA-N 1 0 280.198 4.626 10 0 CJAERO CC[NH2+][C@@H](CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000055225594 520082276 /nfs/dbraw/zinc/08/22/76/520082276.db2.gz HXMVHLDMMWTCEP-VIFPVBQESA-N 1 0 286.124 4.596 10 0 CJAERO CC[NH2+][C@H](CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000055225597 520182486 /nfs/dbraw/zinc/18/24/86/520182486.db2.gz HXMVHLDMMWTCEP-SECBINFHSA-N 1 0 286.124 4.596 10 0 CJAERO [NH3+][C@@H](c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000055228224 527339303 /nfs/dbraw/zinc/33/93/03/527339303.db2.gz IEZWSTKSBQYENX-ZDUSSCGKSA-N 1 0 286.589 4.695 10 0 CJAERO [NH3+][C@H](c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000055228227 527391994 /nfs/dbraw/zinc/39/19/94/527391994.db2.gz IEZWSTKSBQYENX-CYBMUJFWSA-N 1 0 286.589 4.695 10 0 CJAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055232060 520022978 /nfs/dbraw/zinc/02/29/78/520022978.db2.gz OLIHMQKRRRLYTQ-BXUZGUMPSA-N 1 0 272.219 4.629 10 0 CJAERO CCC[NH2+][C@H]1CCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055232061 520091823 /nfs/dbraw/zinc/09/18/23/520091823.db2.gz OLIHMQKRRRLYTQ-RISCZKNCSA-N 1 0 272.219 4.629 10 0 CJAERO CCC[NH2+][C@@H]1CCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055232062 520023106 /nfs/dbraw/zinc/02/31/06/520023106.db2.gz OLIHMQKRRRLYTQ-SMDDNHRTSA-N 1 0 272.219 4.629 10 0 CJAERO CCC[NH2+][C@H]1CCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055232063 520093673 /nfs/dbraw/zinc/09/36/73/520093673.db2.gz OLIHMQKRRRLYTQ-FZMZJTMJSA-N 1 0 272.219 4.629 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000055233517 522330419 /nfs/dbraw/zinc/33/04/19/522330419.db2.gz ZALYUGHJLSMNHS-NSHDSACASA-N 1 0 279.305 4.653 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000055233518 522447424 /nfs/dbraw/zinc/44/74/24/522447424.db2.gz ZALYUGHJLSMNHS-LLVKDONJSA-N 1 0 279.305 4.653 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000055233563 522347087 /nfs/dbraw/zinc/34/70/87/522347087.db2.gz DVXVOWXTOFDVOL-HNNXBMFYSA-N 1 0 279.305 4.782 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000055233564 522655847 /nfs/dbraw/zinc/65/58/47/522655847.db2.gz DVXVOWXTOFDVOL-OAHLLOKOSA-N 1 0 279.305 4.782 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000055233607 522334309 /nfs/dbraw/zinc/33/43/09/522334309.db2.gz RNTJXNLNLVFXMA-NSHDSACASA-N 1 0 279.305 4.653 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000055233609 522452116 /nfs/dbraw/zinc/45/21/16/522452116.db2.gz RNTJXNLNLVFXMA-LLVKDONJSA-N 1 0 279.305 4.653 10 0 CJAERO CCC[NH2+][C@@H](CCC)c1ccccc1C(F)(F)F ZINC000055233959 519993717 /nfs/dbraw/zinc/99/37/17/519993717.db2.gz LGGBCOCCEUAIKJ-ZDUSSCGKSA-N 1 0 259.315 4.546 10 0 CJAERO CCC[NH2+][C@H](CCC)c1ccccc1C(F)(F)F ZINC000055233961 520068930 /nfs/dbraw/zinc/06/89/30/520068930.db2.gz LGGBCOCCEUAIKJ-CYBMUJFWSA-N 1 0 259.315 4.546 10 0 CJAERO CCC[C@H]([NH3+])c1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000055265475 521121660 /nfs/dbraw/zinc/12/16/60/521121660.db2.gz HHFFLSUVFHGBMM-AWEZNQCLSA-N 1 0 274.433 4.535 10 0 CJAERO CCC[C@@H]([NH3+])c1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000055265477 520726829 /nfs/dbraw/zinc/72/68/29/520726829.db2.gz HHFFLSUVFHGBMM-CQSZACIVSA-N 1 0 274.433 4.535 10 0 CJAERO CC(C)c1ccc([C@H](C[NH3+])Nc2ccccc2Cl)cc1 ZINC000057600695 519840145 /nfs/dbraw/zinc/84/01/45/519840145.db2.gz MSJYWFVNQJMAPE-KRWDZBQOSA-N 1 0 288.822 4.575 10 0 CJAERO CC(C)c1ccc([C@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057600699 519840203 /nfs/dbraw/zinc/84/02/03/519840203.db2.gz ZZKDFUGQDWPTOC-KRWDZBQOSA-N 1 0 288.822 4.575 10 0 CJAERO CC(C)c1ccc([C@H](C[NH3+])Nc2ccc(Cl)cc2)cc1 ZINC000057600703 519839942 /nfs/dbraw/zinc/83/99/42/519839942.db2.gz NQFWLSUCEAWXRT-KRWDZBQOSA-N 1 0 288.822 4.575 10 0 CJAERO CC[NH+](CC)c1ccc(N[C@H]2CCC[C@H](C)C2)cc1 ZINC000057671104 520919703 /nfs/dbraw/zinc/91/97/03/520919703.db2.gz KHNCQCLXOKTWKV-HOCLYGCPSA-N 1 0 260.425 4.523 10 0 CJAERO Cc1cc(C)c(C[C@H](C[NH3+])c2ccccc2Cl)c(C)c1 ZINC000057760883 524274199 /nfs/dbraw/zinc/27/41/99/524274199.db2.gz WVNBWLQKDZUUKL-OAHLLOKOSA-N 1 0 287.834 4.550 10 0 CJAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2)c(Cl)c1 ZINC000058826208 567217564 /nfs/dbraw/zinc/21/75/64/567217564.db2.gz PJRDDUOBJPKQRJ-JTQLQIEISA-N 1 0 263.793 4.511 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2)c(Cl)c1 ZINC000058826210 567217926 /nfs/dbraw/zinc/21/79/26/567217926.db2.gz PJRDDUOBJPKQRJ-SNVBAGLBSA-N 1 0 263.793 4.511 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000058828691 330392932 /nfs/dbraw/zinc/39/29/32/330392932.db2.gz GODYIGHQFNXHHD-HNNXBMFYSA-N 1 0 297.442 4.844 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180770 262386949 /nfs/dbraw/zinc/38/69/49/262386949.db2.gz OZVAFDOWZFUEFS-CYBMUJFWSA-N 1 0 288.460 4.600 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180771 262386868 /nfs/dbraw/zinc/38/68/68/262386868.db2.gz OZVAFDOWZFUEFS-ZDUSSCGKSA-N 1 0 288.460 4.600 10 0 CJAERO CC[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cccs1 ZINC000059181116 262387083 /nfs/dbraw/zinc/38/70/83/262387083.db2.gz HUNKDHYRURAHJN-LBPRGKRZSA-N 1 0 294.489 4.743 10 0 CJAERO CC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cccs1 ZINC000059181117 262386722 /nfs/dbraw/zinc/38/67/22/262386722.db2.gz HUNKDHYRURAHJN-GFCCVEGCSA-N 1 0 294.489 4.743 10 0 CJAERO C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)c1ccccc1 ZINC000060394197 524498152 /nfs/dbraw/zinc/49/81/52/524498152.db2.gz GSCBKECCHUYYCD-LBPRGKRZSA-N 1 0 279.836 4.685 10 0 CJAERO Cc1ccc(F)cc1[C@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000060704458 524874668 /nfs/dbraw/zinc/87/46/68/524874668.db2.gz BNBHZIREDSCQNZ-OAHLLOKOSA-N 1 0 298.188 4.683 10 0 CJAERO Cc1ccc(F)cc1[C@@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000060704460 524873955 /nfs/dbraw/zinc/87/39/55/524873955.db2.gz BNBHZIREDSCQNZ-HNNXBMFYSA-N 1 0 298.188 4.683 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)c1cc(F)ccc1C ZINC000060704981 520104344 /nfs/dbraw/zinc/10/43/44/520104344.db2.gz IRUIVQCMXSDFJV-AWEZNQCLSA-N 1 0 297.826 4.742 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)c1cc(F)ccc1C ZINC000060704983 520202892 /nfs/dbraw/zinc/20/28/92/520202892.db2.gz IRUIVQCMXSDFJV-CQSZACIVSA-N 1 0 297.826 4.742 10 0 CJAERO C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000060716706 522377660 /nfs/dbraw/zinc/37/76/60/522377660.db2.gz VHKHZTRLJNDXLJ-SMDDNHRTSA-N 1 0 272.219 4.629 10 0 CJAERO Cc1cc(-c2ccc([C@@H]([NH3+])C(C)C)s2)ccc1F ZINC000061120808 526042215 /nfs/dbraw/zinc/04/22/15/526042215.db2.gz PJJJNUSQWLZIRB-HNNXBMFYSA-N 1 0 263.381 4.518 10 0 CJAERO c1cc2c(s1)CCC[C@H]2[NH2+]CCSc1ccccc1 ZINC000061328509 526446769 /nfs/dbraw/zinc/44/67/69/526446769.db2.gz FJURUCLEIUYWNS-OAHLLOKOSA-N 1 0 289.469 4.507 10 0 CJAERO c1cc2c(s1)CCC[C@@H]2[NH2+]CCSc1ccccc1 ZINC000061328511 526445928 /nfs/dbraw/zinc/44/59/28/526445928.db2.gz FJURUCLEIUYWNS-HNNXBMFYSA-N 1 0 289.469 4.507 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccsc1 ZINC000061360739 330435856 /nfs/dbraw/zinc/43/58/56/330435856.db2.gz DGJIMPRRARUGAN-SUMWQHHRSA-N 1 0 271.429 4.866 10 0 CJAERO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)c1ccsc1 ZINC000061361663 525543186 /nfs/dbraw/zinc/54/31/86/525543186.db2.gz BSYPWASAOIDLHP-MEDUHNTESA-N 1 0 275.392 4.689 10 0 CJAERO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)c1ccsc1 ZINC000061361664 525630016 /nfs/dbraw/zinc/63/00/16/525630016.db2.gz BSYPWASAOIDLHP-BDJLRTHQSA-N 1 0 275.392 4.689 10 0 CJAERO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)c1ccsc1 ZINC000061361665 525598880 /nfs/dbraw/zinc/59/88/80/525598880.db2.gz BSYPWASAOIDLHP-ZBEGNZNMSA-N 1 0 275.392 4.689 10 0 CJAERO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)c1ccsc1 ZINC000061361666 525670767 /nfs/dbraw/zinc/67/07/67/525670767.db2.gz BSYPWASAOIDLHP-BZNIZROVSA-N 1 0 275.392 4.689 10 0 CJAERO Cc1cc(N[C@@H](C)c2ccsc2)c2ccccc2[nH+]1 ZINC000061364658 525293691 /nfs/dbraw/zinc/29/36/91/525293691.db2.gz DDXPNEFZNLEGBK-LBPRGKRZSA-N 1 0 268.385 4.778 10 0 CJAERO Cc1cc(N[C@H](C)c2ccsc2)c2ccccc2[nH+]1 ZINC000061364659 525302461 /nfs/dbraw/zinc/30/24/61/525302461.db2.gz DDXPNEFZNLEGBK-GFCCVEGCSA-N 1 0 268.385 4.778 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(C(C)(C)C)cc1 ZINC000061573598 525558100 /nfs/dbraw/zinc/55/81/00/525558100.db2.gz CMLJDBCWDVFHKJ-XJKSGUPXSA-N 1 0 277.477 4.530 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(C(C)(C)C)cc1 ZINC000061573602 525637623 /nfs/dbraw/zinc/63/76/23/525637623.db2.gz CMLJDBCWDVFHKJ-CZUORRHYSA-N 1 0 277.477 4.530 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(C(C)(C)C)cc1 ZINC000061573604 525611044 /nfs/dbraw/zinc/61/10/44/525611044.db2.gz CMLJDBCWDVFHKJ-BBRMVZONSA-N 1 0 277.477 4.530 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(C(C)(C)C)cc1 ZINC000061573606 525679314 /nfs/dbraw/zinc/67/93/14/525679314.db2.gz CMLJDBCWDVFHKJ-CJNGLKHVSA-N 1 0 277.477 4.530 10 0 CJAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CC1 ZINC000061617796 527391508 /nfs/dbraw/zinc/39/15/08/527391508.db2.gz XSTPJMNTVQISLS-OAHLLOKOSA-N 1 0 292.209 4.725 10 0 CJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CC1 ZINC000061617797 527338399 /nfs/dbraw/zinc/33/83/99/527338399.db2.gz XSTPJMNTVQISLS-HNNXBMFYSA-N 1 0 292.209 4.725 10 0 CJAERO CC(C)C[NH+](Cc1nc(Cl)ccc1Cl)CC(C)C ZINC000061630501 519718876 /nfs/dbraw/zinc/71/88/76/519718876.db2.gz IDYPZIUBUOUOOE-UHFFFAOYSA-N 1 0 289.250 4.502 10 0 CJAERO CCCC[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H](C)CC ZINC000061631130 520549888 /nfs/dbraw/zinc/54/98/88/520549888.db2.gz KEINCSYUMHCGGG-NSHDSACASA-N 1 0 289.250 4.789 10 0 CJAERO CCCC[N@H+](Cc1nc(Cl)ccc1Cl)[C@H](C)CC ZINC000061631131 520550637 /nfs/dbraw/zinc/55/06/37/520550637.db2.gz KEINCSYUMHCGGG-LLVKDONJSA-N 1 0 289.250 4.789 10 0 CJAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2Cl)c(C)c1 ZINC000061699045 525477188 /nfs/dbraw/zinc/47/71/88/525477188.db2.gz CPJKNHJDAFLUDV-GFCCVEGCSA-N 1 0 275.779 4.769 10 0 CJAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2Cl)c(C)c1 ZINC000061699046 525477132 /nfs/dbraw/zinc/47/71/32/525477132.db2.gz CPJKNHJDAFLUDV-LBPRGKRZSA-N 1 0 275.779 4.769 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2ccccc2F)c(Cl)c1 ZINC000061699077 522334617 /nfs/dbraw/zinc/33/46/17/522334617.db2.gz YYESVTGPZJGXGA-JTQLQIEISA-N 1 0 279.742 4.552 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Oc2ccccc2F)c(Cl)c1 ZINC000061699078 522449992 /nfs/dbraw/zinc/44/99/92/522449992.db2.gz YYESVTGPZJGXGA-SNVBAGLBSA-N 1 0 279.742 4.552 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2Cl)c(Cl)c1 ZINC000061699093 524866232 /nfs/dbraw/zinc/86/62/32/524866232.db2.gz OIENWKUSQNUYMU-VIFPVBQESA-N 1 0 282.170 4.805 10 0 CJAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2Cl)cc1C ZINC000061699103 525475816 /nfs/dbraw/zinc/47/58/16/525475816.db2.gz OLQPSHPEYIKRQS-GFCCVEGCSA-N 1 0 275.779 4.769 10 0 CJAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2Cl)cc1C ZINC000061699104 525476899 /nfs/dbraw/zinc/47/68/99/525476899.db2.gz OLQPSHPEYIKRQS-LBPRGKRZSA-N 1 0 275.779 4.769 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(F)cc2)c(Cl)c1 ZINC000061699119 522335064 /nfs/dbraw/zinc/33/50/64/522335064.db2.gz XQJWHQLKSDYYEU-JTQLQIEISA-N 1 0 279.742 4.552 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Oc2ccc(F)cc2)c(Cl)c1 ZINC000061699120 522448645 /nfs/dbraw/zinc/44/86/45/522448645.db2.gz XQJWHQLKSDYYEU-SNVBAGLBSA-N 1 0 279.742 4.552 10 0 CJAERO C[C@H]([NH3+])c1ccc(Oc2cccc(Cl)c2)c(Cl)c1 ZINC000061699151 524866811 /nfs/dbraw/zinc/86/68/11/524866811.db2.gz ZKGUXKZHILNRBR-VIFPVBQESA-N 1 0 282.170 4.805 10 0 CJAERO C[NH2+][C@H](C)c1ccc(O[C@H]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000061699275 522449326 /nfs/dbraw/zinc/44/93/26/522449326.db2.gz ZBCGLYVVZGPLJJ-BZPMIXESSA-N 1 0 281.827 4.578 10 0 CJAERO C[NH2+][C@H](C)c1ccc(O[C@H]2CCC[C@H](C)C2)c(Cl)c1 ZINC000061699276 522449817 /nfs/dbraw/zinc/44/98/17/522449817.db2.gz ZBCGLYVVZGPLJJ-SCRDCRAPSA-N 1 0 281.827 4.578 10 0 CJAERO C[NH2+][C@H](C)c1ccc(O[C@@H]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000061699277 522449345 /nfs/dbraw/zinc/44/93/45/522449345.db2.gz ZBCGLYVVZGPLJJ-YRGRVCCFSA-N 1 0 281.827 4.578 10 0 CJAERO C[NH2+][C@H](C)c1ccc(O[C@@H]2CCC[C@H](C)C2)c(Cl)c1 ZINC000061699278 522449531 /nfs/dbraw/zinc/44/95/31/522449531.db2.gz ZBCGLYVVZGPLJJ-OUCADQQQSA-N 1 0 281.827 4.578 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(SC(C)(C)C)c(Cl)c1 ZINC000061699897 520078581 /nfs/dbraw/zinc/07/85/81/520078581.db2.gz FCUWDVKJVKJTBI-JTQLQIEISA-N 1 0 271.857 4.901 10 0 CJAERO CC[NH2+][C@H](C)c1ccc(SC(C)(C)C)c(Cl)c1 ZINC000061699898 520179520 /nfs/dbraw/zinc/17/95/20/520179520.db2.gz FCUWDVKJVKJTBI-SNVBAGLBSA-N 1 0 271.857 4.901 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(SCc2ccccc2)c(Cl)c1 ZINC000061699955 522334847 /nfs/dbraw/zinc/33/48/47/522334847.db2.gz USWQGGNJZQUGML-LBPRGKRZSA-N 1 0 291.847 4.913 10 0 CJAERO C[NH2+][C@H](C)c1ccc(SCc2ccccc2)c(Cl)c1 ZINC000061699956 522451999 /nfs/dbraw/zinc/45/19/99/522451999.db2.gz USWQGGNJZQUGML-GFCCVEGCSA-N 1 0 291.847 4.913 10 0 CJAERO C[C@@H]([NH3+])c1ccc(SCc2ccccc2)c(Cl)c1 ZINC000061699958 525030942 /nfs/dbraw/zinc/03/09/42/525030942.db2.gz NXSLWYXISVDGHH-LLVKDONJSA-N 1 0 277.820 4.652 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccccc2F)c(Cl)c1 ZINC000061699980 525030175 /nfs/dbraw/zinc/03/01/75/525030175.db2.gz WKGWRZIDOLGSBI-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO COc1cccc(Sc2ccc([C@H](C)[NH3+])cc2Cl)c1 ZINC000061699985 526245712 /nfs/dbraw/zinc/24/57/12/526245712.db2.gz CBRRSHAYCNRBOD-JTQLQIEISA-N 1 0 293.819 4.520 10 0 CJAERO COc1cccc(Sc2ccc([C@@H](C)[NH3+])cc2Cl)c1 ZINC000061699986 526245960 /nfs/dbraw/zinc/24/59/60/526245960.db2.gz CBRRSHAYCNRBOD-SNVBAGLBSA-N 1 0 293.819 4.520 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(F)cc2)c(Cl)c1 ZINC000061699990 525030402 /nfs/dbraw/zinc/03/04/02/525030402.db2.gz SKLVMUIZESMHJN-SECBINFHSA-N 1 0 281.783 4.650 10 0 CJAERO COc1ccc(Sc2ccc([C@H](C)[NH3+])cc2Cl)cc1 ZINC000061700005 525112408 /nfs/dbraw/zinc/11/24/08/525112408.db2.gz TYGAROZUQNNFPY-JTQLQIEISA-N 1 0 293.819 4.520 10 0 CJAERO COc1ccc(Sc2ccc([C@@H](C)[NH3+])cc2Cl)cc1 ZINC000061700006 525113238 /nfs/dbraw/zinc/11/32/38/525113238.db2.gz TYGAROZUQNNFPY-SNVBAGLBSA-N 1 0 293.819 4.520 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000061700101 522451582 /nfs/dbraw/zinc/45/15/82/522451582.db2.gz GRVJHVHGXHLXFV-SECBINFHSA-N 1 0 298.864 4.537 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Sc2nc(C)cs2)c(Cl)c1 ZINC000061700102 522334147 /nfs/dbraw/zinc/33/41/47/522334147.db2.gz GRVJHVHGXHLXFV-VIFPVBQESA-N 1 0 298.864 4.537 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Sc2cccs2)c(Cl)c1 ZINC000061700129 522334747 /nfs/dbraw/zinc/33/47/47/522334747.db2.gz DFQMUMXPINLWAR-VIFPVBQESA-N 1 0 283.849 4.833 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Sc2cccs2)c(Cl)c1 ZINC000061700130 522452264 /nfs/dbraw/zinc/45/22/64/522452264.db2.gz DFQMUMXPINLWAR-SECBINFHSA-N 1 0 283.849 4.833 10 0 CJAERO C[C@H]([NH3+])c1ccc(Sc2ccc(F)cc2F)c(Cl)c1 ZINC000061700165 524866262 /nfs/dbraw/zinc/86/62/62/524866262.db2.gz GHMATOOWCLQIGE-QMMMGPOBSA-N 1 0 299.773 4.789 10 0 CJAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(F)cc2F)c(Cl)c1 ZINC000061700166 525030961 /nfs/dbraw/zinc/03/09/61/525030961.db2.gz GHMATOOWCLQIGE-MRVPVSSYSA-N 1 0 299.773 4.789 10 0 CJAERO Cc1cccc(CSc2ccc([C@@H](C)[NH3+])cc2Cl)c1 ZINC000061700463 524462421 /nfs/dbraw/zinc/46/24/21/524462421.db2.gz SFCCCQGXRACMOI-GFCCVEGCSA-N 1 0 291.847 4.960 10 0 CJAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1ccc(F)cc1Cl ZINC000061846948 520209834 /nfs/dbraw/zinc/20/98/34/520209834.db2.gz LNGPPKSUJWBLBX-OAHLLOKOSA-N 1 0 298.188 4.831 10 0 CJAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000062038368 524698108 /nfs/dbraw/zinc/69/81/08/524698108.db2.gz WSLYYKWOYODPIX-GHMZBOCLSA-N 1 0 297.826 4.822 10 0 CJAERO C[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000062169540 524913337 /nfs/dbraw/zinc/91/33/37/524913337.db2.gz AUUDPMHQGMZWKR-KBPBESRZSA-N 1 0 273.807 4.622 10 0 CJAERO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1Cl ZINC000062257532 326792148 /nfs/dbraw/zinc/79/21/48/326792148.db2.gz PDSPMGIQNJNSBY-INIZCTEOSA-N 1 0 292.209 4.771 10 0 CJAERO CCCC[NH+](CCCC)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000062357253 520495901 /nfs/dbraw/zinc/49/59/01/520495901.db2.gz FOTJUHKQKCDPJH-GOSISDBHSA-N 1 0 291.479 4.547 10 0 CJAERO CCCCC1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000062435045 519919050 /nfs/dbraw/zinc/91/90/50/519919050.db2.gz KSJHPGOKIWJBOU-UHFFFAOYSA-N 1 0 251.458 4.905 10 0 CJAERO CCC[NH2+][C@@H](C)c1cnc(-c2cccc(Cl)c2F)s1 ZINC000062606512 519990885 /nfs/dbraw/zinc/99/08/85/519990885.db2.gz GNEJSTPHOAKVCZ-VIFPVBQESA-N 1 0 298.814 4.663 10 0 CJAERO CCC[NH2+][C@H](C)c1cnc(-c2cccc(Cl)c2F)s1 ZINC000062606516 520066195 /nfs/dbraw/zinc/06/61/95/520066195.db2.gz GNEJSTPHOAKVCZ-SECBINFHSA-N 1 0 298.814 4.663 10 0 CJAERO CC(C)(C)c1ccc([C@@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000062655618 519047616 /nfs/dbraw/zinc/04/76/16/519047616.db2.gz ZIRLYKVSYJDIBD-WBVHZDCISA-N 1 0 259.437 4.607 10 0 CJAERO CC(C)(C)c1ccc([C@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000062655621 519051507 /nfs/dbraw/zinc/05/15/07/519051507.db2.gz ZIRLYKVSYJDIBD-NVXWUHKLSA-N 1 0 259.437 4.607 10 0 CJAERO CC(C)(C)c1ccc([C@@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000062655624 519048897 /nfs/dbraw/zinc/04/88/97/519048897.db2.gz ZIRLYKVSYJDIBD-RDJZCZTQSA-N 1 0 259.437 4.607 10 0 CJAERO CC(C)(C)c1ccc([C@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000062655626 519051773 /nfs/dbraw/zinc/05/17/73/519051773.db2.gz ZIRLYKVSYJDIBD-DOTOQJQBSA-N 1 0 259.437 4.607 10 0 CJAERO C[NH2+][C@H]1CCCCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000062655628 522491130 /nfs/dbraw/zinc/49/11/30/522491130.db2.gz NYXMTYRRCBQXEN-IRXDYDNUSA-N 1 0 259.437 4.620 10 0 CJAERO C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000062655630 522490395 /nfs/dbraw/zinc/49/03/95/522490395.db2.gz NYXMTYRRCBQXEN-SJORKVTESA-N 1 0 259.437 4.620 10 0 CJAERO C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000062655633 522377736 /nfs/dbraw/zinc/37/77/36/522377736.db2.gz NYXMTYRRCBQXEN-DLBZAZTESA-N 1 0 259.437 4.620 10 0 CJAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000062655636 522377047 /nfs/dbraw/zinc/37/70/47/522377047.db2.gz NYXMTYRRCBQXEN-IAGOWNOFSA-N 1 0 259.437 4.620 10 0 CJAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cc(F)ccc1C ZINC000062665352 520108353 /nfs/dbraw/zinc/10/83/53/520108353.db2.gz UVDKDJOCYBJYDH-MRXNPFEDSA-N 1 0 277.408 4.511 10 0 CJAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cc(F)ccc1C ZINC000062665354 520205241 /nfs/dbraw/zinc/20/52/41/520205241.db2.gz UVDKDJOCYBJYDH-INIZCTEOSA-N 1 0 277.408 4.511 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)ccc1C ZINC000062665380 520018775 /nfs/dbraw/zinc/01/87/75/520018775.db2.gz IWVSVIJYPCXPFE-OAHLLOKOSA-N 1 0 297.826 4.938 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)ccc1C ZINC000062665382 520089200 /nfs/dbraw/zinc/08/92/00/520089200.db2.gz IWVSVIJYPCXPFE-HNNXBMFYSA-N 1 0 297.826 4.938 10 0 CJAERO C[NH2+][C@@H](c1cc(F)ccc1C)c1ccc(Cl)cc1Cl ZINC000062665450 522368578 /nfs/dbraw/zinc/36/85/78/522368578.db2.gz BWNOYVOFNGHWDI-OAHLLOKOSA-N 1 0 298.188 4.750 10 0 CJAERO C[NH2+][C@H](c1cc(F)ccc1C)c1ccc(Cl)cc1Cl ZINC000062665452 522477323 /nfs/dbraw/zinc/47/73/23/522477323.db2.gz BWNOYVOFNGHWDI-HNNXBMFYSA-N 1 0 298.188 4.750 10 0 CJAERO [NH3+]C[C@H]1CCCCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062666018 527230838 /nfs/dbraw/zinc/23/08/38/527230838.db2.gz VOMZEMOQXUCRFY-NEPJUHHUSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@H]1CCCCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062666020 527230429 /nfs/dbraw/zinc/23/04/29/527230429.db2.gz VOMZEMOQXUCRFY-VXGBXAGGSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@@H]1CCCCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062666022 527207266 /nfs/dbraw/zinc/20/72/66/527207266.db2.gz VOMZEMOQXUCRFY-RYUDHWBXSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@@H]1CCCCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062666025 527207282 /nfs/dbraw/zinc/20/72/82/527207282.db2.gz VOMZEMOQXUCRFY-NWDGAFQWSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@H]1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000062666043 527230057 /nfs/dbraw/zinc/23/00/57/527230057.db2.gz AOEDTWXSTCQSNS-ZYHUDNBSSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@H]1CCCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000062666045 527230861 /nfs/dbraw/zinc/23/08/61/527230861.db2.gz AOEDTWXSTCQSNS-PWSUYJOCSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@@H]1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000062666046 527207723 /nfs/dbraw/zinc/20/77/23/527207723.db2.gz AOEDTWXSTCQSNS-CMPLNLGQSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@@H]1CCCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000062666048 527207807 /nfs/dbraw/zinc/20/78/07/527207807.db2.gz AOEDTWXSTCQSNS-JQWIXIFHSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@H]1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000062666066 527230126 /nfs/dbraw/zinc/23/01/26/527230126.db2.gz KRKPDWMPSYTBRR-GHMZBOCLSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@H]1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000062666068 527230599 /nfs/dbraw/zinc/23/05/99/527230599.db2.gz KRKPDWMPSYTBRR-MNOVXSKESA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@@H]1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000062666070 527207566 /nfs/dbraw/zinc/20/75/66/527207566.db2.gz KRKPDWMPSYTBRR-WDEREUQCSA-N 1 0 272.219 4.616 10 0 CJAERO [NH3+]C[C@@H]1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000062666071 527208005 /nfs/dbraw/zinc/20/80/05/527208005.db2.gz KRKPDWMPSYTBRR-QWRGUYRKSA-N 1 0 272.219 4.616 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)c(C)c1 ZINC000062707951 327894352 /nfs/dbraw/zinc/89/43/52/327894352.db2.gz BCCGJIPOQQZWIJ-LBPRGKRZSA-N 1 0 293.332 4.572 10 0 CJAERO CC(C)=CCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730258 519439867 /nfs/dbraw/zinc/43/98/67/519439867.db2.gz UXOSUVAAKUYZFI-UHFFFAOYSA-N 1 0 281.827 4.573 10 0 CJAERO CC[NH2+][C@@H](C)Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000062770751 520072383 /nfs/dbraw/zinc/07/23/83/520072383.db2.gz UIPOCRVWLXGFFX-JTQLQIEISA-N 1 0 298.213 4.794 10 0 CJAERO CC[NH2+][C@H](C)Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000062770752 520174035 /nfs/dbraw/zinc/17/40/35/520174035.db2.gz UIPOCRVWLXGFFX-SNVBAGLBSA-N 1 0 298.213 4.794 10 0 CJAERO [NH3+][C@H](c1cccc(Cl)c1Cl)C1(c2ccccc2)CC1 ZINC000062781093 527391909 /nfs/dbraw/zinc/39/19/09/527391909.db2.gz OKICKYISTYUQET-OAHLLOKOSA-N 1 0 292.209 4.725 10 0 CJAERO [NH3+][C@@H](c1cccc(Cl)c1Cl)C1(c2ccccc2)CC1 ZINC000062781094 527338759 /nfs/dbraw/zinc/33/87/59/527338759.db2.gz OKICKYISTYUQET-HNNXBMFYSA-N 1 0 292.209 4.725 10 0 CJAERO C[NH2+][C@@H](c1cccs1)C1(c2ccccc2)CCCC1 ZINC000062782828 522371932 /nfs/dbraw/zinc/37/19/32/522371932.db2.gz BJRWORZOGCYABH-INIZCTEOSA-N 1 0 271.429 4.521 10 0 CJAERO C[NH2+][C@H](c1cccs1)C1(c2ccccc2)CCCC1 ZINC000062782829 522484851 /nfs/dbraw/zinc/48/48/51/522484851.db2.gz BJRWORZOGCYABH-MRXNPFEDSA-N 1 0 271.429 4.521 10 0 CJAERO [NH3+][C@H](c1cccs1)C1(c2ccccc2)CCCCC1 ZINC000062782918 527392813 /nfs/dbraw/zinc/39/28/13/527392813.db2.gz OYZRVMLUXSORPU-MRXNPFEDSA-N 1 0 271.429 4.650 10 0 CJAERO [NH3+][C@@H](c1cccs1)C1(c2ccccc2)CCCCC1 ZINC000062782919 527338490 /nfs/dbraw/zinc/33/84/90/527338490.db2.gz OYZRVMLUXSORPU-INIZCTEOSA-N 1 0 271.429 4.650 10 0 CJAERO CCc1ccc(C[C@H]([NH2+]C)c2ccc(Cl)cc2F)s1 ZINC000062786278 523951024 /nfs/dbraw/zinc/95/10/24/523951024.db2.gz YHPYDFZOPGOCLZ-HNNXBMFYSA-N 1 0 297.826 4.606 10 0 CJAERO CCc1ccc(C[C@@H]([NH2+]C)c2ccc(Cl)cc2F)s1 ZINC000062786279 523951581 /nfs/dbraw/zinc/95/15/81/523951581.db2.gz YHPYDFZOPGOCLZ-OAHLLOKOSA-N 1 0 297.826 4.606 10 0 CJAERO CC[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2F)nc1C ZINC000062786636 520082453 /nfs/dbraw/zinc/08/24/53/520082453.db2.gz KCDKBQWJWMPABK-QMMMGPOBSA-N 1 0 298.814 4.582 10 0 CJAERO CC[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2F)nc1C ZINC000062786637 520183578 /nfs/dbraw/zinc/18/35/78/520183578.db2.gz KCDKBQWJWMPABK-MRVPVSSYSA-N 1 0 298.814 4.582 10 0 CJAERO CCc1ccc(C[C@H]([NH2+]C)c2ccc(F)c(Cl)c2)s1 ZINC000062792481 523951616 /nfs/dbraw/zinc/95/16/16/523951616.db2.gz ICPMYIWWQSRAJR-HNNXBMFYSA-N 1 0 297.826 4.606 10 0 CJAERO CCc1ccc(C[C@@H]([NH2+]C)c2ccc(F)c(Cl)c2)s1 ZINC000062792482 523951187 /nfs/dbraw/zinc/95/11/87/523951187.db2.gz ICPMYIWWQSRAJR-OAHLLOKOSA-N 1 0 297.826 4.606 10 0 CJAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062792699 520018101 /nfs/dbraw/zinc/01/81/01/520018101.db2.gz QFWIWPYPWVBLAR-INIZCTEOSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@H](c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062792700 520089812 /nfs/dbraw/zinc/08/98/12/520089812.db2.gz QFWIWPYPWVBLAR-MRXNPFEDSA-N 1 0 277.770 4.568 10 0 CJAERO CCC[NH2+][C@@H](C)c1cnc(-c2ccc(F)c(Cl)c2)s1 ZINC000062792788 519990289 /nfs/dbraw/zinc/99/02/89/519990289.db2.gz BHQNFZTVYXTVIS-VIFPVBQESA-N 1 0 298.814 4.663 10 0 CJAERO CCC[NH2+][C@H](C)c1cnc(-c2ccc(F)c(Cl)c2)s1 ZINC000062792789 520065249 /nfs/dbraw/zinc/06/52/49/520065249.db2.gz BHQNFZTVYXTVIS-SECBINFHSA-N 1 0 298.814 4.663 10 0 CJAERO Cc1cc(Cl)ccc1Oc1ccc(C[NH3+])cc1Cl ZINC000062793321 524910824 /nfs/dbraw/zinc/91/08/24/524910824.db2.gz GBMMDXRQYYRXJC-UHFFFAOYSA-N 1 0 282.170 4.553 10 0 CJAERO Cc1ccc(Oc2ccc(C[NH3+])cc2Cl)c(Cl)c1 ZINC000062793343 525473886 /nfs/dbraw/zinc/47/38/86/525473886.db2.gz JGFKNUGLZBVPES-UHFFFAOYSA-N 1 0 282.170 4.553 10 0 CJAERO [NH3+]Cc1ccc(Sc2ccccc2Cl)c(Cl)c1 ZINC000062793376 527257797 /nfs/dbraw/zinc/25/77/97/527257797.db2.gz MQHDISWBPMNIRX-UHFFFAOYSA-N 1 0 284.211 4.603 10 0 CJAERO [NH3+]Cc1ccc(Sc2cccc(Cl)c2)c(Cl)c1 ZINC000062793413 527257606 /nfs/dbraw/zinc/25/76/06/527257606.db2.gz XRRBAXUHCVFNQN-UHFFFAOYSA-N 1 0 284.211 4.603 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000062797755 522359796 /nfs/dbraw/zinc/35/97/96/522359796.db2.gz UOJIOPMYTMXGQU-LBPRGKRZSA-N 1 0 291.803 4.651 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000062797756 522473900 /nfs/dbraw/zinc/47/39/00/522473900.db2.gz UOJIOPMYTMXGQU-GFCCVEGCSA-N 1 0 291.803 4.651 10 0 CJAERO CC[C@@H]([NH3+])[C@H](SC1CCCC1)c1ccc(C)s1 ZINC000062829372 522650670 /nfs/dbraw/zinc/65/06/70/522650670.db2.gz TXLDQNDKBOHGFW-OCCSQVGLSA-N 1 0 269.479 4.511 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(SCC2CCCC2)cc1 ZINC000062836218 520078621 /nfs/dbraw/zinc/07/86/21/520078621.db2.gz ZTIMDNCHWJDPHI-ZDUSSCGKSA-N 1 0 263.450 4.639 10 0 CJAERO Cc1c(Cl)cccc1NC(=[NH2+])C1CCCCC1 ZINC000062988546 525759758 /nfs/dbraw/zinc/75/97/58/525759758.db2.gz BXHSJUDSOOUDAR-UHFFFAOYSA-N 1 0 250.773 4.618 10 0 CJAERO CC(C)N(Cc1cccs1)C(=[NH2+])C1CCCCC1 ZINC000062992884 175680155 /nfs/dbraw/zinc/68/01/55/175680155.db2.gz AJLUUICUDCSOPZ-UHFFFAOYSA-N 1 0 264.438 4.516 10 0 CJAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=[NH2+])C1CCCC1 ZINC000062994250 175680220 /nfs/dbraw/zinc/68/02/20/175680220.db2.gz BQGJLDIPMLCQLW-NSHDSACASA-N 1 0 264.800 4.500 10 0 CJAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)cc1Cl ZINC000063022071 525765758 /nfs/dbraw/zinc/76/57/58/525765758.db2.gz LKYZEKRLZGBIMF-HNNXBMFYSA-N 1 0 280.198 4.544 10 0 CJAERO CC[NH2+][C@@H](Cc1ccsc1)c1ccc(C)c(Cl)c1 ZINC000063022086 520106531 /nfs/dbraw/zinc/10/65/31/520106531.db2.gz IMDCDWRGYXQRPR-HNNXBMFYSA-N 1 0 279.836 4.603 10 0 CJAERO Cc1ccc([C@@H]([NH3+])Cc2cccc(Cl)c2)cc1Cl ZINC000063022113 525765633 /nfs/dbraw/zinc/76/56/33/525765633.db2.gz DEQQPTUWBYKOMV-HNNXBMFYSA-N 1 0 280.198 4.544 10 0 CJAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000063099557 525991714 /nfs/dbraw/zinc/99/17/14/525991714.db2.gz PQDYHXFFHQOFCE-SNVBAGLBSA-N 1 0 287.350 4.813 10 0 CJAERO CCc1ccc2[nH+]ccc(Nc3ccc(F)cc3)c2c1 ZINC000065005413 524060673 /nfs/dbraw/zinc/06/06/73/524060673.db2.gz IYMRVYSYIZOGCI-UHFFFAOYSA-N 1 0 266.319 4.680 10 0 CJAERO C[NH2+]CC1(c2ccc(-c3ccccc3)cc2)CCCCC1 ZINC000066075945 521971992 /nfs/dbraw/zinc/97/19/92/521971992.db2.gz FVJRSFJCTCDWPN-UHFFFAOYSA-N 1 0 279.427 4.775 10 0 CJAERO CCCCCCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000066115531 520109040 /nfs/dbraw/zinc/10/90/40/520109040.db2.gz RUSGVOOGHAEOIH-UHFFFAOYSA-N 1 0 263.425 4.534 10 0 CJAERO CCCCCCOc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000066116138 520107794 /nfs/dbraw/zinc/10/77/94/520107794.db2.gz XMQPGYWNKNTFEP-HNNXBMFYSA-N 1 0 263.425 4.534 10 0 CJAERO CCCCCCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000066162531 520105386 /nfs/dbraw/zinc/10/53/86/520105386.db2.gz SRIHIJYAEHULDP-UHFFFAOYSA-N 1 0 263.425 4.534 10 0 CJAERO C[C@H]([NH2+]CCCc1ccccc1Cl)c1ccccc1 ZINC000066162826 525343748 /nfs/dbraw/zinc/34/37/48/525343748.db2.gz WDMUAHNIKXPANJ-AWEZNQCLSA-N 1 0 273.807 4.623 10 0 CJAERO CCCCCCOc1ccccc1C[NH2+][C@H](C)CC ZINC000066170156 520108533 /nfs/dbraw/zinc/10/85/33/520108533.db2.gz UEEKOZCRZIAYSO-OAHLLOKOSA-N 1 0 263.425 4.534 10 0 CJAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000066180576 333615972 /nfs/dbraw/zinc/61/59/72/333615972.db2.gz SSQGWNFTRTXYND-QGZVFWFLSA-N 1 0 297.442 4.962 10 0 CJAERO CC(C)CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000066180577 333616089 /nfs/dbraw/zinc/61/60/89/333616089.db2.gz SSQGWNFTRTXYND-KRWDZBQOSA-N 1 0 297.442 4.962 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000066181132 333615818 /nfs/dbraw/zinc/61/58/18/333615818.db2.gz GODYIGHQFNXHHD-OAHLLOKOSA-N 1 0 297.442 4.844 10 0 CJAERO CCCCCC[NH2+]Cc1cccc(OCCCC)c1 ZINC000066182379 520093609 /nfs/dbraw/zinc/09/36/09/520093609.db2.gz GFGQQVLEDMWKJG-UHFFFAOYSA-N 1 0 263.425 4.535 10 0 CJAERO CCCCCC[NH2+]Cc1ccccc1OCCCC ZINC000066182387 520093088 /nfs/dbraw/zinc/09/30/88/520093088.db2.gz FEVSXCZJIQMALB-UHFFFAOYSA-N 1 0 263.425 4.535 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cnc2ccsc2c1 ZINC000068690575 525633167 /nfs/dbraw/zinc/63/31/67/525633167.db2.gz OVWIEKXYXRZBKX-LRDDRELGSA-N 1 0 294.423 4.634 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cnc2ccsc2c1 ZINC000068690576 525692014 /nfs/dbraw/zinc/69/20/14/525692014.db2.gz OVWIEKXYXRZBKX-WBMJQRKESA-N 1 0 294.423 4.634 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnc3ccsc3c2)o1 ZINC000068690834 525740734 /nfs/dbraw/zinc/74/07/34/525740734.db2.gz YHFCSJWNJJPGNT-NWDGAFQWSA-N 1 0 286.400 4.610 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnc3ccsc3c2)o1 ZINC000068690835 525935674 /nfs/dbraw/zinc/93/56/74/525935674.db2.gz YHFCSJWNJJPGNT-RYUDHWBXSA-N 1 0 286.400 4.610 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnc3ccsc3c2)o1 ZINC000068690836 525747563 /nfs/dbraw/zinc/74/75/63/525747563.db2.gz YHFCSJWNJJPGNT-VXGBXAGGSA-N 1 0 286.400 4.610 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnc3ccsc3c2)o1 ZINC000068690837 525943113 /nfs/dbraw/zinc/94/31/13/525943113.db2.gz YHFCSJWNJJPGNT-NEPJUHHUSA-N 1 0 286.400 4.610 10 0 CJAERO CCCC[C@@H](CC)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000069375023 333758347 /nfs/dbraw/zinc/75/83/47/333758347.db2.gz NQWLDNZJJRNBSX-OTTFEQOBSA-N 1 0 265.363 4.666 10 0 CJAERO CCCC[C@H](CC)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000069375026 333758279 /nfs/dbraw/zinc/75/82/79/333758279.db2.gz NQWLDNZJJRNBSX-CPCZMJQVSA-N 1 0 265.363 4.666 10 0 CJAERO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069376345 333758302 /nfs/dbraw/zinc/75/83/02/333758302.db2.gz DJDBVYXOCXCNLN-RWMBFGLXSA-N 1 0 265.363 4.666 10 0 CJAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381777 333760080 /nfs/dbraw/zinc/76/00/80/333760080.db2.gz TXFSLXAUTWHGHV-CWRNSKLLSA-N 1 0 299.380 4.637 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000069636087 525870742 /nfs/dbraw/zinc/87/07/42/525870742.db2.gz IETHZJPUSNYUKI-WDEREUQCSA-N 1 0 251.420 4.530 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000069636088 525888504 /nfs/dbraw/zinc/88/85/04/525888504.db2.gz IETHZJPUSNYUKI-QWRGUYRKSA-N 1 0 251.420 4.530 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000069636091 525870455 /nfs/dbraw/zinc/87/04/55/525870455.db2.gz IETHZJPUSNYUKI-GHMZBOCLSA-N 1 0 251.420 4.530 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000069636092 525888672 /nfs/dbraw/zinc/88/86/72/525888672.db2.gz IETHZJPUSNYUKI-MNOVXSKESA-N 1 0 251.420 4.530 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000070089929 328382753 /nfs/dbraw/zinc/38/27/53/328382753.db2.gz YSJVGJWOQVCHTL-KGLIPLIRSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000070089930 328382757 /nfs/dbraw/zinc/38/27/57/328382757.db2.gz YSJVGJWOQVCHTL-KBPBESRZSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000070089931 328382793 /nfs/dbraw/zinc/38/27/93/328382793.db2.gz YSJVGJWOQVCHTL-ZIAGYGMSSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000070089932 328383116 /nfs/dbraw/zinc/38/31/16/328383116.db2.gz YSJVGJWOQVCHTL-UONOGXRCSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000070090493 328385778 /nfs/dbraw/zinc/38/57/78/328385778.db2.gz AHBWNLVNOUNENG-MNOVXSKESA-N 1 0 281.371 4.747 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000070091171 333798939 /nfs/dbraw/zinc/79/89/39/333798939.db2.gz DGZUHVGZYQZRFP-UNXYVOJBSA-N 1 0 291.382 4.828 10 0 CJAERO CCCCCC[NH2+]CCOc1c(Cl)cccc1Cl ZINC000070137201 520094646 /nfs/dbraw/zinc/09/46/46/520094646.db2.gz UMJBVCYYOJWOBW-UHFFFAOYSA-N 1 0 290.234 4.542 10 0 CJAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000070137669 524143758 /nfs/dbraw/zinc/14/37/58/524143758.db2.gz GKCTVAXGMZEALV-DOMZBBRYSA-N 1 0 283.868 4.600 10 0 CJAERO C[C@H]1CCCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000070137670 526258261 /nfs/dbraw/zinc/25/82/61/526258261.db2.gz GKCTVAXGMZEALV-WFASDCNBSA-N 1 0 283.868 4.600 10 0 CJAERO CC(C)(C)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000070138908 518653759 /nfs/dbraw/zinc/65/37/59/518653759.db2.gz MBKZVUZVIRXPQG-UHFFFAOYSA-N 1 0 267.416 4.802 10 0 CJAERO CC(C)[C@H](C)[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000070139122 519813039 /nfs/dbraw/zinc/81/30/39/519813039.db2.gz HBEGEWYYLDYAHB-JTQLQIEISA-N 1 0 292.275 4.720 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)cc1C ZINC000070216381 333801975 /nfs/dbraw/zinc/80/19/75/333801975.db2.gz SHCRWRCXRIWUOF-GFCCVEGCSA-N 1 0 279.836 4.869 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)s2)cc1C ZINC000070216383 333802069 /nfs/dbraw/zinc/80/20/69/333802069.db2.gz SHCRWRCXRIWUOF-LBPRGKRZSA-N 1 0 279.836 4.869 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000070305119 333806396 /nfs/dbraw/zinc/80/63/96/333806396.db2.gz VPMXXWMPFKCQCG-NWDGAFQWSA-N 1 0 283.362 4.517 10 0 CJAERO C[C@H]([NH2+]Cc1csc2ccccc12)C1CCCC1 ZINC000070306323 328593085 /nfs/dbraw/zinc/59/30/85/328593085.db2.gz WQVBOESZCZARAP-LBPRGKRZSA-N 1 0 259.418 4.570 10 0 CJAERO CCC[NH2+][C@@H](CCC)CCc1ccc(Br)cc1 ZINC000070533220 175974581 /nfs/dbraw/zinc/97/45/81/175974581.db2.gz GNDWPNNGALOEGG-HNNXBMFYSA-N 1 0 298.268 4.550 10 0 CJAERO CC1CCC(CC[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000070538321 567888700 /nfs/dbraw/zinc/88/87/00/567888700.db2.gz UBDKSTQGLBYJFY-UHFFFAOYSA-N 1 0 283.818 4.785 10 0 CJAERO CC1CCC(CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000070538322 567888767 /nfs/dbraw/zinc/88/87/67/567888767.db2.gz PEBFFJFUEWYRSQ-UHFFFAOYSA-N 1 0 265.828 4.646 10 0 CJAERO Cc1cccc(C[NH2+]CCC2CCC(C)CC2)c1C ZINC000070538337 567888671 /nfs/dbraw/zinc/88/86/71/567888671.db2.gz ZWWQOVYXIQWMQB-UHFFFAOYSA-N 1 0 259.437 4.609 10 0 CJAERO Cc1ccc(C[NH2+]CCC2CCC(C)CC2)c(C)c1 ZINC000070538350 567888849 /nfs/dbraw/zinc/88/88/49/567888849.db2.gz NGFWQJOGEZUFPH-UHFFFAOYSA-N 1 0 259.437 4.609 10 0 CJAERO Cc1cc(C)cc(C[NH2+]CCC2CCC(C)CC2)c1 ZINC000070538459 567888682 /nfs/dbraw/zinc/88/86/82/567888682.db2.gz ICAVDNPLHVFLAN-UHFFFAOYSA-N 1 0 259.437 4.609 10 0 CJAERO Cc1ccc(C[NH2+]CCC2CCC(C)CC2)cc1C ZINC000070538563 567888642 /nfs/dbraw/zinc/88/86/42/567888642.db2.gz VOBJKFKEMPIALB-UHFFFAOYSA-N 1 0 259.437 4.609 10 0 CJAERO CC1CCC(CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000070538615 567888788 /nfs/dbraw/zinc/88/87/88/567888788.db2.gz ULOJVMYSMKCMSX-UHFFFAOYSA-N 1 0 265.828 4.646 10 0 CJAERO CC1CCC(CC[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000070539309 567888584 /nfs/dbraw/zinc/88/85/84/567888584.db2.gz RNRIJCNAYGXWFT-UHFFFAOYSA-N 1 0 283.818 4.785 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccoc1 ZINC000070579398 175994328 /nfs/dbraw/zinc/99/43/28/175994328.db2.gz XTHGYLDYKJHHEF-OAHLLOKOSA-N 1 0 298.213 4.870 10 0 CJAERO CCC[NH2+][C@@H](CC(C)C)c1cccc2ccccc21 ZINC000070941288 176015375 /nfs/dbraw/zinc/01/53/75/176015375.db2.gz ZQYBPMJIMFEUSQ-SFHVURJKSA-N 1 0 255.405 4.927 10 0 CJAERO CCC[NH2+][C@H](CC(C)C)c1cccc2ccccc21 ZINC000070941289 176015114 /nfs/dbraw/zinc/01/51/14/176015114.db2.gz ZQYBPMJIMFEUSQ-GOSISDBHSA-N 1 0 255.405 4.927 10 0 CJAERO CC[NH2+][C@@H](c1cccc2ccccc21)C1CCCC1 ZINC000070941306 176015461 /nfs/dbraw/zinc/01/54/61/176015461.db2.gz RGDBEAQFEODIHL-GOSISDBHSA-N 1 0 253.389 4.681 10 0 CJAERO CC[NH2+][C@H](c1cccc2ccccc21)C1CCCC1 ZINC000070941307 176015236 /nfs/dbraw/zinc/01/52/36/176015236.db2.gz RGDBEAQFEODIHL-SFHVURJKSA-N 1 0 253.389 4.681 10 0 CJAERO CC[NH2+][C@H](c1ccccc1Cl)[C@@H]1CCC[C@H](C)C1 ZINC000070941391 176015128 /nfs/dbraw/zinc/01/51/28/176015128.db2.gz BXUKCIHEFUWPQN-ZENOOKHLSA-N 1 0 265.828 4.817 10 0 CJAERO CC[NH2+][C@H](c1ccccc1Cl)[C@H]1CCC[C@H](C)C1 ZINC000070941393 176014922 /nfs/dbraw/zinc/01/49/22/176014922.db2.gz BXUKCIHEFUWPQN-XEZPLFJOSA-N 1 0 265.828 4.817 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCC[C@H](C)C1 ZINC000070941407 176015343 /nfs/dbraw/zinc/01/53/43/176015343.db2.gz SJXLIFRELMUTLZ-YSVLISHTSA-N 1 0 279.855 4.687 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCC[C@H](C)C1 ZINC000070941409 176014988 /nfs/dbraw/zinc/01/49/88/176014988.db2.gz SJXLIFRELMUTLZ-JLJPHGGASA-N 1 0 279.855 4.687 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)[C@@H]1CCC[C@H](C)C1 ZINC000070941427 176015019 /nfs/dbraw/zinc/01/50/19/176015019.db2.gz YVTRMAFIAGFARO-GUTXKFCHSA-N 1 0 251.439 4.615 10 0 CJAERO CCC[NH2+][C@H](c1cccs1)[C@H]1CCC[C@H](C)C1 ZINC000070941429 176015377 /nfs/dbraw/zinc/01/53/77/176015377.db2.gz YVTRMAFIAGFARO-YDHLFZDLSA-N 1 0 251.439 4.615 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000070941545 176015028 /nfs/dbraw/zinc/01/50/28/176015028.db2.gz YATKORIOBSOAFA-WHHARQNVSA-N 1 0 263.469 4.760 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000070941546 176015052 /nfs/dbraw/zinc/01/50/52/176015052.db2.gz YATKORIOBSOAFA-RRLIJXGGSA-N 1 0 263.469 4.760 10 0 CJAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000071114688 333843834 /nfs/dbraw/zinc/84/38/34/333843834.db2.gz MPSGTDWSRJYFKL-BLYZHGLHSA-N 1 0 277.374 4.666 10 0 CJAERO CCC[C@H]([NH2+]Cc1scnc1C)c1ccc(Cl)cc1 ZINC000071212561 176084436 /nfs/dbraw/zinc/08/44/36/176084436.db2.gz DANNNALGDMWCQY-AWEZNQCLSA-N 1 0 294.851 4.736 10 0 CJAERO CCC[C@@H]([NH2+]Cc1scnc1C)c1ccc(Cl)cc1 ZINC000071212562 176084386 /nfs/dbraw/zinc/08/43/86/176084386.db2.gz DANNNALGDMWCQY-CQSZACIVSA-N 1 0 294.851 4.736 10 0 CJAERO Cc1cccnc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000071339516 333855100 /nfs/dbraw/zinc/85/51/00/333855100.db2.gz NSCDLACEZLFFRV-LLVKDONJSA-N 1 0 295.213 4.548 10 0 CJAERO Cc1ccc2oc([C@H]([NH3+])c3ccc(C(C)C)cc3)cc2c1 ZINC000071406743 176156218 /nfs/dbraw/zinc/15/62/18/176156218.db2.gz MEAWGBGESHLPDH-LJQANCHMSA-N 1 0 279.383 4.913 10 0 CJAERO Cc1ccc2oc([C@@H]([NH3+])c3ccc(C(C)C)cc3)cc2c1 ZINC000071406744 176156241 /nfs/dbraw/zinc/15/62/41/176156241.db2.gz MEAWGBGESHLPDH-IBGZPJMESA-N 1 0 279.383 4.913 10 0 CJAERO Cc1ccc2[nH]c(Nc3ccc(C(C)(C)C)cc3)[nH+]c2c1 ZINC000071418295 176160505 /nfs/dbraw/zinc/16/05/05/176160505.db2.gz XGCUGKHLGDBCHK-UHFFFAOYSA-N 1 0 279.387 4.912 10 0 CJAERO C[C@@H](CCCC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000071575007 176202199 /nfs/dbraw/zinc/20/21/99/176202199.db2.gz KRKGZOWDCPUCEA-HNNXBMFYSA-N 1 0 253.389 4.586 10 0 CJAERO C[C@H](CCCC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000071575008 176202409 /nfs/dbraw/zinc/20/24/09/176202409.db2.gz KRKGZOWDCPUCEA-OAHLLOKOSA-N 1 0 253.389 4.586 10 0 CJAERO CC(C)/C(=C\CCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000071585801 176211864 /nfs/dbraw/zinc/21/18/64/176211864.db2.gz JNHXXDXVLDAUKZ-CAOOACKPSA-N 1 0 259.437 4.762 10 0 CJAERO C[C@@H](CCCC[NH3+])c1ccc(C2CCCCC2)cc1 ZINC000071585812 176211980 /nfs/dbraw/zinc/21/19/80/176211980.db2.gz KLUPBYVOBVMKOE-HNNXBMFYSA-N 1 0 259.437 4.967 10 0 CJAERO C[C@H](CCCC[NH3+])c1ccc(C2CCCCC2)cc1 ZINC000071585813 176212038 /nfs/dbraw/zinc/21/20/38/176212038.db2.gz KLUPBYVOBVMKOE-OAHLLOKOSA-N 1 0 259.437 4.967 10 0 CJAERO Cc1ccc(C(C)(C)C)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071588225 176215936 /nfs/dbraw/zinc/21/59/36/176215936.db2.gz UBAYRXWGYFPRRB-INIZCTEOSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1ccc(C(C)(C)C)cc1[C@H](CCC[NH3+])C(C)C ZINC000071588226 176216218 /nfs/dbraw/zinc/21/62/18/176216218.db2.gz UBAYRXWGYFPRRB-MRXNPFEDSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1cc(C)c(C)c([C@@H](CCCC[NH3+])C(C)C)c1C ZINC000071588227 176215997 /nfs/dbraw/zinc/21/59/97/176215997.db2.gz WYTUNLCGOCKSGM-KRWDZBQOSA-N 1 0 261.453 4.789 10 0 CJAERO Cc1cc(C)c(C)c([C@H](CCCC[NH3+])C(C)C)c1C ZINC000071588228 176216226 /nfs/dbraw/zinc/21/62/26/176216226.db2.gz WYTUNLCGOCKSGM-QGZVFWFLSA-N 1 0 261.453 4.789 10 0 CJAERO Cc1cc(C(C)(C)C)cc(C)c1[C@@H](C)CCCC[NH3+] ZINC000071588229 176215912 /nfs/dbraw/zinc/21/59/12/176215912.db2.gz UPYHNJXHOAMHIF-ZDUSSCGKSA-N 1 0 261.453 4.833 10 0 CJAERO Cc1cc(C(C)(C)C)cc(C)c1[C@H](C)CCCC[NH3+] ZINC000071588230 176215891 /nfs/dbraw/zinc/21/58/91/176215891.db2.gz UPYHNJXHOAMHIF-CYBMUJFWSA-N 1 0 261.453 4.833 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc3c(c2)CCCC3)cc1 ZINC000071631868 176236898 /nfs/dbraw/zinc/23/68/98/176236898.db2.gz ZWWIAMXMSGLOAR-AWEZNQCLSA-N 1 0 281.399 4.638 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Oc2ccc3c(c2)CCCC3)cc1 ZINC000071631869 176236868 /nfs/dbraw/zinc/23/68/68/176236868.db2.gz ZWWIAMXMSGLOAR-CQSZACIVSA-N 1 0 281.399 4.638 10 0 CJAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2C1CCCCC1 ZINC000071653427 176242206 /nfs/dbraw/zinc/24/22/06/176242206.db2.gz JNRVWUKFQSKZDR-LJQANCHMSA-N 1 0 299.458 4.732 10 0 CJAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2C1CCCCC1 ZINC000071653428 176242072 /nfs/dbraw/zinc/24/20/72/176242072.db2.gz JNRVWUKFQSKZDR-IBGZPJMESA-N 1 0 299.458 4.732 10 0 CJAERO c1oc(-c2ccccc2)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000071864160 176280663 /nfs/dbraw/zinc/28/06/63/176280663.db2.gz BMWMRXNYWYRLCU-UHFFFAOYSA-N 1 0 289.378 4.505 10 0 CJAERO CC[N@@H+]1C[C@H]2CCCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072113757 176318096 /nfs/dbraw/zinc/31/80/96/176318096.db2.gz KVTPLEPXMVVCIZ-CJNGLKHVSA-N 1 0 298.257 4.757 10 0 CJAERO CC[N@@H+]1C[C@@H]2CCCC[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072113758 176318259 /nfs/dbraw/zinc/31/82/59/176318259.db2.gz KVTPLEPXMVVCIZ-XJKSGUPXSA-N 1 0 298.257 4.757 10 0 CJAERO Cc1ccc(C(C)(C)C)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000076322688 176987285 /nfs/dbraw/zinc/98/72/85/176987285.db2.gz CGIWCOGXQPQNNQ-AWEZNQCLSA-N 1 0 259.437 4.538 10 0 CJAERO C[C@@H](CC[NH2+]C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000076372843 177009119 /nfs/dbraw/zinc/00/91/19/177009119.db2.gz SNJXHIMFMCBZBH-HNNXBMFYSA-N 1 0 265.400 4.599 10 0 CJAERO C[C@H](CC[NH2+]C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000076372846 177009167 /nfs/dbraw/zinc/00/91/67/177009167.db2.gz SNJXHIMFMCBZBH-OAHLLOKOSA-N 1 0 265.400 4.599 10 0 CJAERO CC(C)(C)c1ccc(C2(C[NH3+])CC3(C2)CCCC3)cc1 ZINC000076412634 177020843 /nfs/dbraw/zinc/02/08/43/177020843.db2.gz AUBXLTIQKSIFST-UHFFFAOYSA-N 1 0 271.448 4.535 10 0 CJAERO CC(C)c1ccc(C2(C[NH3+])CC3(C2)CCCCC3)cc1 ZINC000076412636 177021019 /nfs/dbraw/zinc/02/10/19/177021019.db2.gz IOGCFSPZUCNDOL-UHFFFAOYSA-N 1 0 271.448 4.751 10 0 CJAERO [NH3+]CC1(c2ccc(Cl)cc2Cl)CC2(C1)CCCC2 ZINC000076489796 177028237 /nfs/dbraw/zinc/02/82/37/177028237.db2.gz IYFJHECZMPWBEF-UHFFFAOYSA-N 1 0 284.230 4.544 10 0 CJAERO [NH3+]CC1(c2ccc(Cl)c(Cl)c2)CC2(C1)CCCC2 ZINC000076489800 177028129 /nfs/dbraw/zinc/02/81/29/177028129.db2.gz VNGDZSQRUQRZLL-UHFFFAOYSA-N 1 0 284.230 4.544 10 0 CJAERO CC(C)(C)c1ccc(C2(C[NH3+])CC3(C2)CCCCC3)cc1 ZINC000076496800 177029020 /nfs/dbraw/zinc/02/90/20/177029020.db2.gz KOKXZYCGUMRHHR-UHFFFAOYSA-N 1 0 285.475 4.925 10 0 CJAERO C[C@H]([NH3+])Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000076568335 177039819 /nfs/dbraw/zinc/03/98/19/177039819.db2.gz HTZGLLUOKOANFR-JTQLQIEISA-N 1 0 296.197 4.675 10 0 CJAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000076568339 177039921 /nfs/dbraw/zinc/03/99/21/177039921.db2.gz HTZGLLUOKOANFR-SNVBAGLBSA-N 1 0 296.197 4.675 10 0 CJAERO [NH3+]CC1(c2ccc(Cl)cc2Cl)CC2(C1)CCCCC2 ZINC000076574432 177041100 /nfs/dbraw/zinc/04/11/00/177041100.db2.gz ISQHBFRLZIXABC-UHFFFAOYSA-N 1 0 298.257 4.934 10 0 CJAERO [NH3+]CC1(c2ccc(Cl)c(Cl)c2)CC2(C1)CCCCC2 ZINC000076574437 177041277 /nfs/dbraw/zinc/04/12/77/177041277.db2.gz CQQNNEZVXGIWRR-UHFFFAOYSA-N 1 0 298.257 4.934 10 0 CJAERO CC(C)Cc1ccc([C@@H](CC[NH3+])C2CCCC2)cc1 ZINC000076669424 177052925 /nfs/dbraw/zinc/05/29/25/177052925.db2.gz AKHQETGIQMWRBP-SFHVURJKSA-N 1 0 259.437 4.508 10 0 CJAERO CC(C)Cc1ccc([C@H](CC[NH3+])C2CCCC2)cc1 ZINC000076669426 177052939 /nfs/dbraw/zinc/05/29/39/177052939.db2.gz AKHQETGIQMWRBP-GOSISDBHSA-N 1 0 259.437 4.508 10 0 CJAERO CCCc1ccc([C@@H](CC[NH3+])C2CCCCC2)cc1 ZINC000076669435 177052813 /nfs/dbraw/zinc/05/28/13/177052813.db2.gz CQASIWUGJYEQTG-SFHVURJKSA-N 1 0 259.437 4.652 10 0 CJAERO CCCc1ccc([C@H](CC[NH3+])C2CCCCC2)cc1 ZINC000076669437 177052787 /nfs/dbraw/zinc/05/27/87/177052787.db2.gz CQASIWUGJYEQTG-GOSISDBHSA-N 1 0 259.437 4.652 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H](CC[NH3+])C2CCCC2)cc1 ZINC000076669441 177052846 /nfs/dbraw/zinc/05/28/46/177052846.db2.gz XGAIMLQVQWEJNJ-KDOFPFPSSA-N 1 0 259.437 4.823 10 0 CJAERO CC[C@H](C)c1ccc([C@@H](CC[NH3+])C2CCCC2)cc1 ZINC000076669443 177052761 /nfs/dbraw/zinc/05/27/61/177052761.db2.gz XGAIMLQVQWEJNJ-KSSFIOAISA-N 1 0 259.437 4.823 10 0 CJAERO CC[C@@H](C)c1ccc([C@H](CC[NH3+])C2CCCC2)cc1 ZINC000076669446 177052788 /nfs/dbraw/zinc/05/27/88/177052788.db2.gz XGAIMLQVQWEJNJ-RDTXWAMCSA-N 1 0 259.437 4.823 10 0 CJAERO CC[C@H](C)c1ccc([C@H](CC[NH3+])C2CCCC2)cc1 ZINC000076669449 177052784 /nfs/dbraw/zinc/05/27/84/177052784.db2.gz XGAIMLQVQWEJNJ-KBXCAEBGSA-N 1 0 259.437 4.823 10 0 CJAERO Cc1ccc(C(C)(C)C)cc1[C@@H](CC[NH3+])CC(C)C ZINC000076673604 177055121 /nfs/dbraw/zinc/05/51/21/177055121.db2.gz HQVKQKMYZBKEFI-HNNXBMFYSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1ccc(C(C)(C)C)cc1[C@H](CC[NH3+])CC(C)C ZINC000076673607 177054929 /nfs/dbraw/zinc/05/49/29/177054929.db2.gz HQVKQKMYZBKEFI-OAHLLOKOSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1cc(C(C)(C)C)ccc1[C@@H](CC[NH3+])CC(C)C ZINC000076673618 177055230 /nfs/dbraw/zinc/05/52/30/177055230.db2.gz KGXGECQXDMOROA-HNNXBMFYSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1cc(C(C)(C)C)ccc1[C@H](CC[NH3+])CC(C)C ZINC000076673624 177055072 /nfs/dbraw/zinc/05/50/72/177055072.db2.gz KGXGECQXDMOROA-OAHLLOKOSA-N 1 0 261.453 4.771 10 0 CJAERO CC[C@@H](CC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000076679040 177057507 /nfs/dbraw/zinc/05/75/07/177057507.db2.gz YIEKAQTVMFEEFE-ZDUSSCGKSA-N 1 0 263.450 4.564 10 0 CJAERO CC[C@H](CC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000076679042 177057561 /nfs/dbraw/zinc/05/75/61/177057561.db2.gz YIEKAQTVMFEEFE-CYBMUJFWSA-N 1 0 263.450 4.564 10 0 CJAERO CC(C)Sc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076681938 177059552 /nfs/dbraw/zinc/05/95/52/177059552.db2.gz PNGSSGZCIZIMPX-OAHLLOKOSA-N 1 0 265.466 4.666 10 0 CJAERO CC(C)Sc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076681939 177059336 /nfs/dbraw/zinc/05/93/36/177059336.db2.gz PNGSSGZCIZIMPX-HNNXBMFYSA-N 1 0 265.466 4.666 10 0 CJAERO CC[C@@H](C)c1ccc([C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076718378 177069371 /nfs/dbraw/zinc/06/93/71/177069371.db2.gz YAOGYKDPFZXTIG-CZUORRHYSA-N 1 0 273.445 4.742 10 0 CJAERO CC[C@H](C)c1ccc([C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076718382 177069604 /nfs/dbraw/zinc/06/96/04/177069604.db2.gz YAOGYKDPFZXTIG-XJKSGUPXSA-N 1 0 273.445 4.742 10 0 CJAERO CC[C@@H](C)c1ccc([C@H](CC[NH3+])c2cccs2)cc1 ZINC000076718385 177069545 /nfs/dbraw/zinc/06/95/45/177069545.db2.gz YAOGYKDPFZXTIG-CJNGLKHVSA-N 1 0 273.445 4.742 10 0 CJAERO CC[C@H](C)c1ccc([C@H](CC[NH3+])c2cccs2)cc1 ZINC000076718388 177069323 /nfs/dbraw/zinc/06/93/23/177069323.db2.gz YAOGYKDPFZXTIG-BBRMVZONSA-N 1 0 273.445 4.742 10 0 CJAERO CCC[NH2+][C@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000076784255 177091566 /nfs/dbraw/zinc/09/15/66/177091566.db2.gz YHLXSVNCDXXSIL-SNVBAGLBSA-N 1 0 280.824 4.524 10 0 CJAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000076784257 177091678 /nfs/dbraw/zinc/09/16/78/177091678.db2.gz JDSKWOJZFILOGI-JTQLQIEISA-N 1 0 280.824 4.524 10 0 CJAERO CCC[NH2+][C@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000076784258 177091992 /nfs/dbraw/zinc/09/19/92/177091992.db2.gz JDSKWOJZFILOGI-SNVBAGLBSA-N 1 0 280.824 4.524 10 0 CJAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000076784367 177091885 /nfs/dbraw/zinc/09/18/85/177091885.db2.gz JHXYVEMZIOOEIJ-ZDUSSCGKSA-N 1 0 288.460 4.994 10 0 CJAERO CCC[NH2+][C@H](C)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000076784368 177091869 /nfs/dbraw/zinc/09/18/69/177091869.db2.gz JHXYVEMZIOOEIJ-CYBMUJFWSA-N 1 0 288.460 4.994 10 0 CJAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000076784565 177091578 /nfs/dbraw/zinc/09/15/78/177091578.db2.gz CILNPERFIIWDNW-LBPRGKRZSA-N 1 0 274.433 4.604 10 0 CJAERO CC[NH2+][C@H](C)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000076784568 177091981 /nfs/dbraw/zinc/09/19/81/177091981.db2.gz CILNPERFIIWDNW-GFCCVEGCSA-N 1 0 274.433 4.604 10 0 CJAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000076784569 177091535 /nfs/dbraw/zinc/09/15/35/177091535.db2.gz YSNMZDUXSSVYNC-LBPRGKRZSA-N 1 0 288.460 4.778 10 0 CJAERO CC[NH2+][C@H](C)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000076784571 177091965 /nfs/dbraw/zinc/09/19/65/177091965.db2.gz YSNMZDUXSSVYNC-GFCCVEGCSA-N 1 0 288.460 4.778 10 0 CJAERO Cc1cccc2c1oc(C[NH2+]CC(C)C)c2C(C)C ZINC000077068657 177183206 /nfs/dbraw/zinc/18/32/06/177183206.db2.gz VXIQIGZGJJYDMR-UHFFFAOYSA-N 1 0 259.393 4.610 10 0 CJAERO Cc1cccc2c1oc(C[NH2+]CC(C)C)c2C(C)(C)C ZINC000077068714 177183548 /nfs/dbraw/zinc/18/35/48/177183548.db2.gz PKUAQQQMAHXZOO-UHFFFAOYSA-N 1 0 273.420 4.784 10 0 CJAERO CC(C)[NH2+]Cc1oc2c(cccc2Cl)c1C(C)C ZINC000077068961 177183657 /nfs/dbraw/zinc/18/36/57/177183657.db2.gz XOZJVMHFEMXSOG-UHFFFAOYSA-N 1 0 265.784 4.708 10 0 CJAERO CCC[NH2+]Cc1oc2c(cccc2Cl)c1C(C)C ZINC000077068962 177183687 /nfs/dbraw/zinc/18/36/87/177183687.db2.gz OTVBYXWTXOEDBJ-UHFFFAOYSA-N 1 0 265.784 4.709 10 0 CJAERO CC(C)C[NH2+]Cc1oc2c(cccc2Cl)c1C(C)C ZINC000077068965 177183720 /nfs/dbraw/zinc/18/37/20/177183720.db2.gz AJYHYRDZBIRAJO-UHFFFAOYSA-N 1 0 279.811 4.955 10 0 CJAERO CCCc1c2cccc(Cl)c2oc1C[NH2+]C(C)C ZINC000077069003 177183943 /nfs/dbraw/zinc/18/39/43/177183943.db2.gz KRTXNRNXROUPEH-UHFFFAOYSA-N 1 0 265.784 4.537 10 0 CJAERO CCC[NH2+]Cc1oc2c(cccc2Cl)c1CCC ZINC000077069004 177183868 /nfs/dbraw/zinc/18/38/68/177183868.db2.gz HHGPNYICCFJQHC-UHFFFAOYSA-N 1 0 265.784 4.538 10 0 CJAERO CC(C)C[NH2+]Cc1oc2c(cccc2Cl)c1C1CC1 ZINC000077069048 177183818 /nfs/dbraw/zinc/18/38/18/177183818.db2.gz BDOVQAZJCQNOJB-UHFFFAOYSA-N 1 0 277.795 4.709 10 0 CJAERO Cc1ccc2oc(C[NH2+]CC(C)C)c(C(C)C)c2c1 ZINC000077069488 177184561 /nfs/dbraw/zinc/18/45/61/177184561.db2.gz YFCSYOMAGLMVIR-UHFFFAOYSA-N 1 0 259.393 4.610 10 0 CJAERO Cc1ccc2oc(C[NH2+]CC(C)C)c(C(C)(C)C)c2c1 ZINC000077069598 177184475 /nfs/dbraw/zinc/18/44/75/177184475.db2.gz KSVFNWRNUIKJIT-UHFFFAOYSA-N 1 0 273.420 4.784 10 0 CJAERO CC(C)[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)C ZINC000077069724 177184809 /nfs/dbraw/zinc/18/48/09/177184809.db2.gz BUORHSUUAVEQSR-UHFFFAOYSA-N 1 0 265.784 4.708 10 0 CJAERO CCC[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)C ZINC000077069725 177184747 /nfs/dbraw/zinc/18/47/47/177184747.db2.gz DYLFURGNWYLUIR-UHFFFAOYSA-N 1 0 265.784 4.709 10 0 CJAERO CC(C)C[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)C ZINC000077069728 177184968 /nfs/dbraw/zinc/18/49/68/177184968.db2.gz XRPZIRXSWBYUIX-UHFFFAOYSA-N 1 0 279.811 4.955 10 0 CJAERO CC(C)C[NH2+]Cc1oc2ccc(Cl)cc2c1C1CC1 ZINC000077069854 177184908 /nfs/dbraw/zinc/18/49/08/177184908.db2.gz FTJGHLAJHFNRBU-UHFFFAOYSA-N 1 0 277.795 4.709 10 0 CJAERO CCCc1c2cc(Cl)ccc2oc1C[NH2+]C(C)C ZINC000077069889 177184919 /nfs/dbraw/zinc/18/49/19/177184919.db2.gz GXMXCVWZJMJLIR-UHFFFAOYSA-N 1 0 265.784 4.537 10 0 CJAERO CCC[NH2+]Cc1oc2ccc(Cl)cc2c1CCC ZINC000077069890 177185042 /nfs/dbraw/zinc/18/50/42/177185042.db2.gz GXXDEVGEONNUEP-UHFFFAOYSA-N 1 0 265.784 4.538 10 0 CJAERO Cc1ccc2c(oc(C[NH2+]C(C)C)c2C(C)C)c1C ZINC000077070191 177185548 /nfs/dbraw/zinc/18/55/48/177185548.db2.gz UABRBLNDOHSXJX-UHFFFAOYSA-N 1 0 259.393 4.671 10 0 CJAERO CCC[NH2+]Cc1oc2c(ccc(C)c2C)c1C(C)C ZINC000077070192 177185234 /nfs/dbraw/zinc/18/52/34/177185234.db2.gz VUKUHWTXHKVRLN-UHFFFAOYSA-N 1 0 259.393 4.673 10 0 CJAERO Cc1ccc2c(oc(C[NH2+]CC(C)C)c2C(C)C)c1C ZINC000077070195 177185344 /nfs/dbraw/zinc/18/53/44/177185344.db2.gz OKHYXEOAHHKHPG-UHFFFAOYSA-N 1 0 273.420 4.919 10 0 CJAERO Cc1ccc2c(oc(C[NH2+]CC(C)C)c2C2CC2)c1C ZINC000077070271 177185477 /nfs/dbraw/zinc/18/54/77/177185477.db2.gz NBEKMFGFXYGHHN-UHFFFAOYSA-N 1 0 271.404 4.673 10 0 CJAERO CCCc1c2ccc(C)c(C)c2oc1C[NH2+]C(C)C ZINC000077070313 177185394 /nfs/dbraw/zinc/18/53/94/177185394.db2.gz YJKODOFLOPKOHE-UHFFFAOYSA-N 1 0 259.393 4.500 10 0 CJAERO CCC[NH2+]Cc1oc2c(ccc(C)c2C)c1CCC ZINC000077070314 177185530 /nfs/dbraw/zinc/18/55/30/177185530.db2.gz TXBHOKFZFSBARY-UHFFFAOYSA-N 1 0 259.393 4.502 10 0 CJAERO CCc1ccc2oc(C[NH2+]C(C)C)c(C(C)C)c2c1 ZINC000077070550 177185787 /nfs/dbraw/zinc/18/57/87/177185787.db2.gz VCVSKFWEHRJFGU-UHFFFAOYSA-N 1 0 259.393 4.617 10 0 CJAERO CCC[NH2+]Cc1oc2ccc(CC)cc2c1C(C)C ZINC000077070551 177186174 /nfs/dbraw/zinc/18/61/74/177186174.db2.gz APTFFUZNQGHEIU-UHFFFAOYSA-N 1 0 259.393 4.618 10 0 CJAERO CCc1ccc2oc(C[NH2+]CC(C)C)c(C(C)C)c2c1 ZINC000077070554 177185764 /nfs/dbraw/zinc/18/57/64/177185764.db2.gz WOOBCPPNKLBWRI-UHFFFAOYSA-N 1 0 273.420 4.864 10 0 CJAERO CCc1ccc2oc(C[NH2+]CC(C)C)c(C3CC3)c2c1 ZINC000077070638 177185898 /nfs/dbraw/zinc/18/58/98/177185898.db2.gz PVYRQUROYIEFCA-UHFFFAOYSA-N 1 0 271.404 4.618 10 0 CJAERO Cc1cc2c(oc(C[NH2+]C(C)C)c2C(C)C)c(C)c1 ZINC000077070912 177186782 /nfs/dbraw/zinc/18/67/82/177186782.db2.gz DXKSUXRDOUXEBW-UHFFFAOYSA-N 1 0 259.393 4.671 10 0 CJAERO CCC[NH2+]Cc1oc2c(cc(C)cc2C)c1C(C)C ZINC000077070913 177186453 /nfs/dbraw/zinc/18/64/53/177186453.db2.gz QRUDUZQXUYVKQZ-UHFFFAOYSA-N 1 0 259.393 4.673 10 0 CJAERO Cc1cc2c(oc(C[NH2+]CC(C)C)c2C(C)C)c(C)c1 ZINC000077070916 177186352 /nfs/dbraw/zinc/18/63/52/177186352.db2.gz JJWVWDGRSUQVPT-UHFFFAOYSA-N 1 0 273.420 4.919 10 0 CJAERO CCCc1c2cc(C)cc(C)c2oc1C[NH2+]C(C)C ZINC000077070953 177186519 /nfs/dbraw/zinc/18/65/19/177186519.db2.gz DOMCDHLAQGDJBO-UHFFFAOYSA-N 1 0 259.393 4.500 10 0 CJAERO CCC[NH2+]Cc1oc2c(cc(C)cc2C)c1CCC ZINC000077070954 177186697 /nfs/dbraw/zinc/18/66/97/177186697.db2.gz DONBVBAVZPIWJF-UHFFFAOYSA-N 1 0 259.393 4.502 10 0 CJAERO Cc1cc2c(oc(C[NH2+]CC(C)C)c2C2CC2)c(C)c1 ZINC000077070998 177186677 /nfs/dbraw/zinc/18/66/77/177186677.db2.gz LREVXUGWMKMLRQ-UHFFFAOYSA-N 1 0 271.404 4.673 10 0 CJAERO Cc1cc2oc(C[NH2+]C(C)C)c(C(C)C)c2c(C)c1 ZINC000077071274 177187307 /nfs/dbraw/zinc/18/73/07/177187307.db2.gz CDCJGPMBWBYIRI-UHFFFAOYSA-N 1 0 259.393 4.671 10 0 CJAERO CCC[NH2+]Cc1oc2cc(C)cc(C)c2c1C(C)C ZINC000077071275 177187236 /nfs/dbraw/zinc/18/72/36/177187236.db2.gz NOTVYGMHXGRXTQ-UHFFFAOYSA-N 1 0 259.393 4.673 10 0 CJAERO Cc1cc2oc(C[NH2+]CC(C)C)c(C(C)C)c2c(C)c1 ZINC000077071278 177187316 /nfs/dbraw/zinc/18/73/16/177187316.db2.gz ZVUKHIDLYRBWGK-UHFFFAOYSA-N 1 0 273.420 4.919 10 0 CJAERO CCCc1c(C[NH2+]C(C)C)oc2cc(C)cc(C)c21 ZINC000077071319 177187287 /nfs/dbraw/zinc/18/72/87/177187287.db2.gz UHYACLIVGHJYRZ-UHFFFAOYSA-N 1 0 259.393 4.500 10 0 CJAERO CCC[NH2+]Cc1oc2cc(C)cc(C)c2c1CCC ZINC000077071320 177187164 /nfs/dbraw/zinc/18/71/64/177187164.db2.gz BAJSVQPEBOIBAF-UHFFFAOYSA-N 1 0 259.393 4.502 10 0 CJAERO Cc1cc2oc(C[NH2+]CC(C)C)c(C3CC3)c2c(C)c1 ZINC000077071368 177187011 /nfs/dbraw/zinc/18/70/11/177187011.db2.gz MULZBGHVNIZPHD-UHFFFAOYSA-N 1 0 271.404 4.673 10 0 CJAERO Cc1c(C[NH2+]C(C)C)oc2cc(C)c(Cl)c(C)c12 ZINC000077071520 177187667 /nfs/dbraw/zinc/18/76/67/177187667.db2.gz OIXXGWRUBQAZEO-UHFFFAOYSA-N 1 0 265.784 4.509 10 0 CJAERO CCC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C ZINC000077071521 177187507 /nfs/dbraw/zinc/18/75/07/177187507.db2.gz JLTYLDLJQQWHTI-UHFFFAOYSA-N 1 0 265.784 4.511 10 0 CJAERO Cc1c(C[NH2+]CC(C)C)oc2cc(C)c(Cl)c(C)c12 ZINC000077071524 177187504 /nfs/dbraw/zinc/18/75/04/177187504.db2.gz AIHCELGOTCVKBH-UHFFFAOYSA-N 1 0 279.811 4.757 10 0 CJAERO CCc1c(C[NH2+]C(C)C)oc2cc(C)c(Cl)c(C)c21 ZINC000077071556 177187839 /nfs/dbraw/zinc/18/78/39/177187839.db2.gz PLQGDVAARDDKQC-UHFFFAOYSA-N 1 0 279.811 4.763 10 0 CJAERO CCC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1CC ZINC000077071557 177187722 /nfs/dbraw/zinc/18/77/22/177187722.db2.gz XREHKVHGXDZQQI-UHFFFAOYSA-N 1 0 279.811 4.765 10 0 CJAERO CCc1c(C[NH2+]C2CC2)oc2cc(C)c(Cl)c(C)c21 ZINC000077071558 177187674 /nfs/dbraw/zinc/18/76/74/177187674.db2.gz OQYOKHGPWWAORX-UHFFFAOYSA-N 1 0 277.795 4.517 10 0 CJAERO C[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C(C)C ZINC000077071586 177187447 /nfs/dbraw/zinc/18/74/47/177187447.db2.gz KWZFFCQZDQVECK-UHFFFAOYSA-N 1 0 265.784 4.546 10 0 CJAERO CC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C(C)C ZINC000077071587 177187593 /nfs/dbraw/zinc/18/75/93/177187593.db2.gz OIMCXPXUOIOQLO-UHFFFAOYSA-N 1 0 279.811 4.936 10 0 CJAERO CCCc1c(C[NH2+]CC)oc2cc(C)c(Cl)c(C)c21 ZINC000077071613 177187701 /nfs/dbraw/zinc/18/77/01/177187701.db2.gz QUDRWHWYRWDPAY-UHFFFAOYSA-N 1 0 279.811 4.765 10 0 CJAERO CCCc1c(C[NH2+]C2CC2)oc2cc(C)c(Cl)c(C)c21 ZINC000077071616 177187633 /nfs/dbraw/zinc/18/76/33/177187633.db2.gz LRBLGXBUPFUHAV-UHFFFAOYSA-N 1 0 291.822 4.908 10 0 CJAERO CC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C1CC1 ZINC000077071638 177187595 /nfs/dbraw/zinc/18/75/95/177187595.db2.gz FYKYNOAIWOIRDE-UHFFFAOYSA-N 1 0 277.795 4.690 10 0 CJAERO Cc1cc2oc(C[NH2+]C3CC3)c(C3CC3)c2c(C)c1Cl ZINC000077071641 177187841 /nfs/dbraw/zinc/18/78/41/177187841.db2.gz FBHPADDUGVZOGB-UHFFFAOYSA-N 1 0 289.806 4.832 10 0 CJAERO C[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C(C)(C)C ZINC000077071663 177187469 /nfs/dbraw/zinc/18/74/69/177187469.db2.gz XWSHLVKWIFHTDJ-UHFFFAOYSA-N 1 0 279.811 4.720 10 0 CJAERO C[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C(C)(C)C ZINC000077071741 177187548 /nfs/dbraw/zinc/18/75/48/177187548.db2.gz HPKQJSUGZAYVLM-UHFFFAOYSA-N 1 0 286.202 4.757 10 0 CJAERO CC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C1CC1 ZINC000077071757 177187552 /nfs/dbraw/zinc/18/75/52/177187552.db2.gz NMXKDVXCJCPNFL-UHFFFAOYSA-N 1 0 284.186 4.727 10 0 CJAERO Clc1cc2c(oc(C[NH2+]C3CC3)c2C2CC2)c(Cl)c1 ZINC000077071760 177187510 /nfs/dbraw/zinc/18/75/10/177187510.db2.gz GPDQTPGSXQORPD-UHFFFAOYSA-N 1 0 296.197 4.869 10 0 CJAERO CCCc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]CC ZINC000077071778 177187971 /nfs/dbraw/zinc/18/79/71/177187971.db2.gz NHXBKWFMUZRVSD-UHFFFAOYSA-N 1 0 286.202 4.802 10 0 CJAERO CCCc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C1CC1 ZINC000077071781 177188154 /nfs/dbraw/zinc/18/81/54/177188154.db2.gz QZZQIRZQJUUMLQ-UHFFFAOYSA-N 1 0 298.213 4.944 10 0 CJAERO C[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C(C)C ZINC000077071798 177188026 /nfs/dbraw/zinc/18/80/26/177188026.db2.gz AZFNZIJKXKYZGM-UHFFFAOYSA-N 1 0 272.175 4.582 10 0 CJAERO CC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C(C)C ZINC000077071799 177187931 /nfs/dbraw/zinc/18/79/31/177187931.db2.gz RIDIZBBFXJAFSV-UHFFFAOYSA-N 1 0 286.202 4.973 10 0 CJAERO CCc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C(C)C ZINC000077071821 177188238 /nfs/dbraw/zinc/18/82/38/177188238.db2.gz SHSWLQNVVBICGS-UHFFFAOYSA-N 1 0 286.202 4.800 10 0 CJAERO CCC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1CC ZINC000077071822 177188190 /nfs/dbraw/zinc/18/81/90/177188190.db2.gz ADBLJCFDTWKIIK-UHFFFAOYSA-N 1 0 286.202 4.802 10 0 CJAERO CCc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C1CC1 ZINC000077071823 177187885 /nfs/dbraw/zinc/18/78/85/177187885.db2.gz OBKZGMXXLUYMAP-UHFFFAOYSA-N 1 0 284.186 4.554 10 0 CJAERO Cc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C(C)C ZINC000077071848 177187970 /nfs/dbraw/zinc/18/79/70/177187970.db2.gz JLHXMIJVIBQJSP-UHFFFAOYSA-N 1 0 272.175 4.546 10 0 CJAERO CCC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C ZINC000077071849 177187884 /nfs/dbraw/zinc/18/78/84/177187884.db2.gz NJCPQIKIRRBUCH-UHFFFAOYSA-N 1 0 272.175 4.548 10 0 CJAERO Cc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]CC(C)C ZINC000077071852 177188065 /nfs/dbraw/zinc/18/80/65/177188065.db2.gz JPOCMQCOEDFOAL-UHFFFAOYSA-N 1 0 286.202 4.794 10 0 CJAERO CC[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1C ZINC000077071914 177187994 /nfs/dbraw/zinc/18/79/94/177187994.db2.gz HOXPKHLKCNRFOA-UHFFFAOYSA-N 1 0 265.356 4.518 10 0 CJAERO Cc1c2cc(-c3ccccc3)ccc2oc1C[NH2+]C(C)C ZINC000077071915 177187993 /nfs/dbraw/zinc/18/79/93/177187993.db2.gz JEFKJZZQOGVYHV-UHFFFAOYSA-N 1 0 279.383 4.906 10 0 CJAERO CCC[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1C ZINC000077071916 177188022 /nfs/dbraw/zinc/18/80/22/177188022.db2.gz OKOMVSHTBAAIND-UHFFFAOYSA-N 1 0 279.383 4.908 10 0 CJAERO Cc1c2cc(-c3ccccc3)ccc2oc1C[NH2+]C1CC1 ZINC000077071917 177188132 /nfs/dbraw/zinc/18/81/32/177188132.db2.gz OAFQJTFTQYGRRG-UHFFFAOYSA-N 1 0 277.367 4.660 10 0 CJAERO CC[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1CC ZINC000077071944 177188046 /nfs/dbraw/zinc/18/80/46/177188046.db2.gz ITAHDMAJYNUPMK-UHFFFAOYSA-N 1 0 279.383 4.772 10 0 CJAERO C[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1C(C)C ZINC000077071970 177188143 /nfs/dbraw/zinc/18/81/43/177188143.db2.gz PCZUUYZJVRIADZ-UHFFFAOYSA-N 1 0 279.383 4.943 10 0 CJAERO CCCc1c2cc(-c3ccccc3)ccc2oc1C[NH2+]C ZINC000077071991 177188250 /nfs/dbraw/zinc/18/82/50/177188250.db2.gz DPUZRUDMGVCWNA-UHFFFAOYSA-N 1 0 279.383 4.772 10 0 CJAERO CCCc1c2cc(-c3ccccc3)ccc2oc1C[NH3+] ZINC000077072001 177188072 /nfs/dbraw/zinc/18/80/72/177188072.db2.gz SBAJDWFSSJHVCV-UHFFFAOYSA-N 1 0 265.356 4.511 10 0 CJAERO C[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1C1CC1 ZINC000077072013 177187943 /nfs/dbraw/zinc/18/79/43/177187943.db2.gz OGMVBZBNNDZUKV-UHFFFAOYSA-N 1 0 277.367 4.697 10 0 CJAERO CC(C)(C)c1c2cc(-c3ccccc3)ccc2oc1C[NH3+] ZINC000077072042 177188187 /nfs/dbraw/zinc/18/81/87/177188187.db2.gz YWFWKAQCNIVARQ-UHFFFAOYSA-N 1 0 279.383 4.856 10 0 CJAERO Cc1c2ccc3ccccc3c2oc1C[NH2+]CC(C)C ZINC000077072080 177188483 /nfs/dbraw/zinc/18/84/83/177188483.db2.gz XJTIIRBKNXEUCD-UHFFFAOYSA-N 1 0 267.372 4.640 10 0 CJAERO CCc1c2ccc3ccccc3c2oc1C[NH2+]C(C)C ZINC000077072122 177188717 /nfs/dbraw/zinc/18/87/17/177188717.db2.gz RXUWXFUSPLOADV-UHFFFAOYSA-N 1 0 267.372 4.646 10 0 CJAERO CCC[NH2+]Cc1oc2c(ccc3ccccc23)c1CC ZINC000077072123 177188552 /nfs/dbraw/zinc/18/85/52/177188552.db2.gz YNDYQNDYSQHRPC-UHFFFAOYSA-N 1 0 267.372 4.648 10 0 CJAERO CCc1c2ccc3ccccc3c2oc1C[NH2+]CC(C)C ZINC000077072126 177188436 /nfs/dbraw/zinc/18/84/36/177188436.db2.gz ULEWGHNISONENM-UHFFFAOYSA-N 1 0 281.399 4.894 10 0 CJAERO CC[NH2+]Cc1oc2c(ccc3ccccc23)c1C(C)C ZINC000077072164 177188640 /nfs/dbraw/zinc/18/86/40/177188640.db2.gz CPLHYTJHRUXNEQ-UHFFFAOYSA-N 1 0 267.372 4.819 10 0 CJAERO CC(C)c1c2ccc3ccccc3c2oc1C[NH2+]C1CC1 ZINC000077072167 177188445 /nfs/dbraw/zinc/18/84/45/177188445.db2.gz FIKKVTIFVGHKJX-UHFFFAOYSA-N 1 0 279.383 4.961 10 0 CJAERO CCCc1c2ccc3ccccc3c2oc1C[NH2+]CC ZINC000077072199 177188637 /nfs/dbraw/zinc/18/86/37/177188637.db2.gz FZBKWXDDJSHEEQ-UHFFFAOYSA-N 1 0 267.372 4.648 10 0 CJAERO CCCc1c2ccc3ccccc3c2oc1C[NH2+]C1CC1 ZINC000077072202 177188529 /nfs/dbraw/zinc/18/85/29/177188529.db2.gz LHCQMZMBEXZFFT-UHFFFAOYSA-N 1 0 279.383 4.791 10 0 CJAERO CC[NH2+]Cc1oc2c(ccc3ccccc23)c1C1CC1 ZINC000077072234 177188676 /nfs/dbraw/zinc/18/86/76/177188676.db2.gz SXEOLPUMVMYUME-UHFFFAOYSA-N 1 0 265.356 4.573 10 0 CJAERO CC(C)[NH2+]Cc1oc2c(ccc3ccccc23)c1C1CC1 ZINC000077072235 177188722 /nfs/dbraw/zinc/18/87/22/177188722.db2.gz DQROKSMAMNDOIT-UHFFFAOYSA-N 1 0 279.383 4.961 10 0 CJAERO CCC[NH2+]Cc1oc2c(ccc3ccccc23)c1C1CC1 ZINC000077072236 177188585 /nfs/dbraw/zinc/18/85/85/177188585.db2.gz JQJQKSFTQFPOTA-UHFFFAOYSA-N 1 0 279.383 4.963 10 0 CJAERO c1ccc2c3oc(C[NH2+]C4CC4)c(C4CC4)c3ccc2c1 ZINC000077072237 177188531 /nfs/dbraw/zinc/18/85/31/177188531.db2.gz ZGUHFVRSOYINRH-UHFFFAOYSA-N 1 0 277.367 4.715 10 0 CJAERO C[NH2+]Cc1oc2c(ccc3ccccc23)c1C(C)(C)C ZINC000077072268 177188738 /nfs/dbraw/zinc/18/87/38/177188738.db2.gz HNHSMPFJSZEMEV-UHFFFAOYSA-N 1 0 267.372 4.603 10 0 CJAERO CC[NH2+]Cc1oc2c(ccc3ccccc23)c1C(C)(C)C ZINC000077072269 177188756 /nfs/dbraw/zinc/18/87/56/177188756.db2.gz HFNVWWDZXLIOQS-UHFFFAOYSA-N 1 0 281.399 4.993 10 0 CJAERO C[NH+]1CCC(=C2c3ccsc3C=Cc3ccccc32)CC1 ZINC000077286775 177249517 /nfs/dbraw/zinc/24/95/17/177249517.db2.gz HRIKDQASFPAXJS-UHFFFAOYSA-N 1 0 293.435 4.759 10 0 in-vitro CJAERO COc1ccc(C)cc1[C@@H](CC[NH2+]C(C)C)c1ccccc1 ZINC000077287150 177249026 /nfs/dbraw/zinc/24/90/26/177249026.db2.gz DPTHIYCZGOKIDH-SFHVURJKSA-N 1 0 297.442 4.524 10 0 in-vitro CJAERO COc1ccc(C)cc1[C@H](CC[NH2+]C(C)C)c1ccccc1 ZINC000077287153 177249493 /nfs/dbraw/zinc/24/94/93/177249493.db2.gz DPTHIYCZGOKIDH-GOSISDBHSA-N 1 0 297.442 4.524 10 0 in-vitro CJAERO CC[C@H]1CC[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)CC1 ZINC000077319815 177252032 /nfs/dbraw/zinc/25/20/32/177252032.db2.gz MFPNEOANQKGCEC-BXUZGUMPSA-N 1 0 271.326 4.546 10 0 in-vitro CJAERO CC[C@@H]1CC[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)CC1 ZINC000077319816 177252114 /nfs/dbraw/zinc/25/21/14/177252114.db2.gz MFPNEOANQKGCEC-SMDDNHRTSA-N 1 0 271.326 4.546 10 0 in-vitro CJAERO CC[C@H]1CC[NH2+][C@H](c2ccc(C(F)(F)F)cc2)CC1 ZINC000077319819 177252105 /nfs/dbraw/zinc/25/21/05/177252105.db2.gz MFPNEOANQKGCEC-RISCZKNCSA-N 1 0 271.326 4.546 10 0 in-vitro CJAERO CC[C@@H]1CC[NH2+][C@H](c2ccc(C(F)(F)F)cc2)CC1 ZINC000077319823 177251996 /nfs/dbraw/zinc/25/19/96/177251996.db2.gz MFPNEOANQKGCEC-FZMZJTMJSA-N 1 0 271.326 4.546 10 0 in-vitro CJAERO CC1(C)CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000079626798 330252834 /nfs/dbraw/zinc/25/28/34/330252834.db2.gz LXDFFPQCRLMPDD-WCQYABFASA-N 1 0 277.374 4.666 10 0 CJAERO CC1(C)CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000079626800 330252805 /nfs/dbraw/zinc/25/28/05/330252805.db2.gz LXDFFPQCRLMPDD-AAEUAGOBSA-N 1 0 277.374 4.666 10 0 CJAERO CC1(C)CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000079626802 330252807 /nfs/dbraw/zinc/25/28/07/330252807.db2.gz LXDFFPQCRLMPDD-DGCLKSJQSA-N 1 0 277.374 4.666 10 0 CJAERO CC1(C)CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000079626803 330252743 /nfs/dbraw/zinc/25/27/43/330252743.db2.gz LXDFFPQCRLMPDD-YPMHNXCESA-N 1 0 277.374 4.666 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081633832 334201132 /nfs/dbraw/zinc/20/11/32/334201132.db2.gz NRXDAGVJGKFXIB-VXGQWTEUSA-N 1 0 289.385 4.666 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081633835 334201210 /nfs/dbraw/zinc/20/12/10/334201210.db2.gz NRXDAGVJGKFXIB-XSCHDIRWSA-N 1 0 289.385 4.666 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081633841 334201167 /nfs/dbraw/zinc/20/11/67/334201167.db2.gz NRXDAGVJGKFXIB-PPWQZUPISA-N 1 0 289.385 4.666 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081633842 334201183 /nfs/dbraw/zinc/20/11/83/334201183.db2.gz NRXDAGVJGKFXIB-URGYJCLVSA-N 1 0 289.385 4.666 10 0 CJAERO CCC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1CC ZINC000082422864 177996759 /nfs/dbraw/zinc/99/67/59/177996759.db2.gz HSCNHBGZSAQNQZ-UHFFFAOYSA-N 1 0 294.851 4.526 10 0 CJAERO CCCc1nc(-c2ccccc2C)sc1C[NH2+]C(C)C ZINC000082426574 178002226 /nfs/dbraw/zinc/00/22/26/178002226.db2.gz CRCBIJAHYCSPMN-UHFFFAOYSA-N 1 0 288.460 4.569 10 0 CJAERO CCC[NH2+]Cc1sc(-c2ccccc2C)nc1CCC ZINC000082426576 178002163 /nfs/dbraw/zinc/00/21/63/178002163.db2.gz CUWLSOMWFJPJNH-UHFFFAOYSA-N 1 0 288.460 4.571 10 0 CJAERO CCCc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]CC ZINC000082427072 178002819 /nfs/dbraw/zinc/00/28/19/178002819.db2.gz SIIOUSJYRZSOMR-UHFFFAOYSA-N 1 0 294.851 4.526 10 0 CJAERO CCCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C(C)C ZINC000082427119 178003155 /nfs/dbraw/zinc/00/31/55/178003155.db2.gz QTGOXXIXKWVAQY-UHFFFAOYSA-N 1 0 288.460 4.569 10 0 CJAERO CCC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1CCC ZINC000082427122 178002829 /nfs/dbraw/zinc/00/28/29/178002829.db2.gz BTWCDXMRQDJQJP-UHFFFAOYSA-N 1 0 288.460 4.571 10 0 CJAERO CCCc1nc(-c2cccc(C)c2)sc1C[NH2+]C(C)C ZINC000082427160 178002903 /nfs/dbraw/zinc/00/29/03/178002903.db2.gz DHNLHKCZEFFXKO-UHFFFAOYSA-N 1 0 288.460 4.569 10 0 CJAERO CCC[NH2+]Cc1sc(-c2cccc(C)c2)nc1CCC ZINC000082427162 178002968 /nfs/dbraw/zinc/00/29/68/178002968.db2.gz KFOZLTOCHJQKRU-UHFFFAOYSA-N 1 0 288.460 4.571 10 0 CJAERO CCCc1nc(C2CCCCC2)sc1C[NH2+]C(C)C ZINC000082428151 178003321 /nfs/dbraw/zinc/00/33/21/178003321.db2.gz ILNUOVMYWCJDPH-UHFFFAOYSA-N 1 0 280.481 4.641 10 0 CJAERO CCC[NH2+]Cc1sc(C2CCCCC2)nc1CCC ZINC000082428152 178003569 /nfs/dbraw/zinc/00/35/69/178003569.db2.gz XVPOMHFXVAAESY-UHFFFAOYSA-N 1 0 280.481 4.643 10 0 CJAERO Cc1ccccc1-c1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082429419 178006942 /nfs/dbraw/zinc/00/69/42/178006942.db2.gz XUKBHLHETIHRKH-UHFFFAOYSA-N 1 0 288.460 4.740 10 0 CJAERO CCC[NH2+]Cc1sc(-c2ccccc2C)nc1C(C)C ZINC000082429420 178006920 /nfs/dbraw/zinc/00/69/20/178006920.db2.gz VVRXZORLNTWNBZ-UHFFFAOYSA-N 1 0 288.460 4.742 10 0 CJAERO CC[NH2+]Cc1sc(-c2ccccc2Cl)nc1C(C)C ZINC000082429670 178006910 /nfs/dbraw/zinc/00/69/10/178006910.db2.gz IIURCSMOOAGYAC-UHFFFAOYSA-N 1 0 294.851 4.696 10 0 CJAERO CC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C(C)C ZINC000082429690 178006926 /nfs/dbraw/zinc/00/69/26/178006926.db2.gz YBTCCBMPYUJRAI-UHFFFAOYSA-N 1 0 294.851 4.696 10 0 CJAERO Cc1ccc(-c2nc(C(C)C)c(C[NH2+]C(C)C)s2)cc1 ZINC000082429711 178007206 /nfs/dbraw/zinc/00/72/06/178007206.db2.gz XGGSYDPNLKKGTE-UHFFFAOYSA-N 1 0 288.460 4.740 10 0 CJAERO CCC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C(C)C ZINC000082429712 178007660 /nfs/dbraw/zinc/00/76/60/178007660.db2.gz DZZVHVPCAYDANR-UHFFFAOYSA-N 1 0 288.460 4.742 10 0 CJAERO Cc1cccc(-c2nc(C(C)C)c(C[NH2+]C(C)C)s2)c1 ZINC000082429737 178007526 /nfs/dbraw/zinc/00/75/26/178007526.db2.gz UKWDTJXHKFIFBM-UHFFFAOYSA-N 1 0 288.460 4.740 10 0 CJAERO CCC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C(C)C ZINC000082429738 178007208 /nfs/dbraw/zinc/00/72/08/178007208.db2.gz SHKXODKVQMSBRZ-UHFFFAOYSA-N 1 0 288.460 4.742 10 0 CJAERO CC(C)[NH2+]Cc1sc(C2CCCCC2)nc1C(C)C ZINC000082430760 178008419 /nfs/dbraw/zinc/00/84/19/178008419.db2.gz DCUGUYVTRKRVNS-UHFFFAOYSA-N 1 0 280.481 4.812 10 0 CJAERO CCC[NH2+]Cc1sc(C2CCCCC2)nc1C(C)C ZINC000082430763 178008032 /nfs/dbraw/zinc/00/80/32/178008032.db2.gz JXAGOOIIDBENIF-UHFFFAOYSA-N 1 0 280.481 4.814 10 0 CJAERO CC(C)c1nc(C2CCCCC2)sc1C[NH2+]C1CC1 ZINC000082430764 178008533 /nfs/dbraw/zinc/00/85/33/178008533.db2.gz RLYKUWWLJLDIOA-UHFFFAOYSA-N 1 0 278.465 4.566 10 0 CJAERO CC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1C(C)C ZINC000082431286 178008755 /nfs/dbraw/zinc/00/87/55/178008755.db2.gz YUSCUXQUPBZYRK-UHFFFAOYSA-N 1 0 288.460 4.605 10 0 CJAERO CCCc1nc(-c2ccccc2Cl)sc1C[NH2+]CC ZINC000082432085 178010938 /nfs/dbraw/zinc/01/09/38/178010938.db2.gz VAULCYHKYCRIAY-UHFFFAOYSA-N 1 0 294.851 4.526 10 0 CJAERO CCCCCC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000082434249 178010436 /nfs/dbraw/zinc/01/04/36/178010436.db2.gz XUTMEIXTXYYMHP-AWEZNQCLSA-N 1 0 284.241 4.680 10 0 CJAERO CCCCCC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000082434250 178010581 /nfs/dbraw/zinc/01/05/81/178010581.db2.gz XUTMEIXTXYYMHP-CQSZACIVSA-N 1 0 284.241 4.680 10 0 CJAERO CC(C)[NH2+]Cc1sc(C2CCCCC2)nc1C1CC1 ZINC000082436438 178014197 /nfs/dbraw/zinc/01/41/97/178014197.db2.gz KQGCZJNVIDTWJE-UHFFFAOYSA-N 1 0 278.465 4.566 10 0 CJAERO CC[NH2+]Cc1sc(-c2ccccc2C)nc1C(C)(C)C ZINC000082438657 178017004 /nfs/dbraw/zinc/01/70/04/178017004.db2.gz AEFVPLXPWCLSLD-UHFFFAOYSA-N 1 0 288.460 4.526 10 0 CJAERO CC(C)[NH2+]Cc1sc(-c2ccccc2)nc1C(C)(C)C ZINC000082438764 178016892 /nfs/dbraw/zinc/01/68/92/178016892.db2.gz KMVRRRFPHIBJNX-UHFFFAOYSA-N 1 0 288.460 4.606 10 0 CJAERO CCC[NH2+]Cc1sc(-c2ccccc2)nc1C(C)(C)C ZINC000082438766 178017341 /nfs/dbraw/zinc/01/73/41/178017341.db2.gz NGEWESAQSRXAMQ-UHFFFAOYSA-N 1 0 288.460 4.607 10 0 CJAERO CC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000082439083 178016864 /nfs/dbraw/zinc/01/68/64/178016864.db2.gz OPFZWGZXGCRGFB-UHFFFAOYSA-N 1 0 288.460 4.526 10 0 CJAERO CC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C(C)(C)C ZINC000082439119 178016802 /nfs/dbraw/zinc/01/68/02/178016802.db2.gz ZSGJXWYQYKEPDU-UHFFFAOYSA-N 1 0 288.460 4.526 10 0 CJAERO CC[NH2+]Cc1sc(C2CCCCC2)nc1C(C)(C)C ZINC000082440227 178018403 /nfs/dbraw/zinc/01/84/03/178018403.db2.gz WEOSWJRFVFCAQI-UHFFFAOYSA-N 1 0 280.481 4.598 10 0 CJAERO CC(C)[NH2+]Cc1sc(C2CCCCC2)nc1C(C)(C)C ZINC000082440229 178018516 /nfs/dbraw/zinc/01/85/16/178018516.db2.gz FTCBSHWEVLZQOY-UHFFFAOYSA-N 1 0 294.508 4.986 10 0 CJAERO CCC[NH2+]Cc1sc(C2CCCCC2)nc1C(C)(C)C ZINC000082440231 178018528 /nfs/dbraw/zinc/01/85/28/178018528.db2.gz FFPIOFPFILXIEP-UHFFFAOYSA-N 1 0 294.508 4.988 10 0 CJAERO CC(C)(C)c1nc(C2CCCCC2)sc1C[NH2+]C1CC1 ZINC000082440233 178018445 /nfs/dbraw/zinc/01/84/45/178018445.db2.gz CYPGDVVSDZXZJU-UHFFFAOYSA-N 1 0 292.492 4.740 10 0 CJAERO CC(C)[NH2+]Cc1sc(-c2cccs2)nc1C(C)(C)C ZINC000082440550 178018469 /nfs/dbraw/zinc/01/84/69/178018469.db2.gz UMZWZJWFHAVENA-UHFFFAOYSA-N 1 0 294.489 4.667 10 0 CJAERO CCC[NH2+]Cc1sc(-c2cccs2)nc1C(C)(C)C ZINC000082440551 178018566 /nfs/dbraw/zinc/01/85/66/178018566.db2.gz MBQQOIYYDOETNS-UHFFFAOYSA-N 1 0 294.489 4.669 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1)C1CCCCCC1 ZINC000082442010 178021643 /nfs/dbraw/zinc/02/16/43/178021643.db2.gz QZUBQEOXISVZKU-SFHVURJKSA-N 1 0 259.437 4.568 10 0 CJAERO CCC[NH2+][C@H](Cc1ccccc1)C1CCCCCC1 ZINC000082442011 178021701 /nfs/dbraw/zinc/02/17/01/178021701.db2.gz QZUBQEOXISVZKU-GOSISDBHSA-N 1 0 259.437 4.568 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082708059 178216427 /nfs/dbraw/zinc/21/64/27/178216427.db2.gz HPFWDTXHTOMTKU-OAHLLOKOSA-N 1 0 263.743 4.556 10 0 CJAERO CC[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082708108 178217293 /nfs/dbraw/zinc/21/72/93/178217293.db2.gz HBUBAOUCDJCIRO-IBGZPJMESA-N 1 0 265.400 4.642 10 0 CJAERO CC[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082708109 178217216 /nfs/dbraw/zinc/21/72/16/178217216.db2.gz HBUBAOUCDJCIRO-LJQANCHMSA-N 1 0 265.400 4.642 10 0 CJAERO C[C@H]([NH3+])c1cccc(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082708160 178216995 /nfs/dbraw/zinc/21/69/95/178216995.db2.gz YRNOQERBMRVXRW-ZDUSSCGKSA-N 1 0 253.389 4.671 10 0 CJAERO C[C@@H]([NH3+])c1cccc(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082708161 178216894 /nfs/dbraw/zinc/21/68/94/178216894.db2.gz YRNOQERBMRVXRW-CYBMUJFWSA-N 1 0 253.389 4.671 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 ZINC000082708162 178217307 /nfs/dbraw/zinc/21/73/07/178217307.db2.gz BXQXDGPLSZVDAI-ZDUSSCGKSA-N 1 0 253.389 4.671 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 ZINC000082708163 178217312 /nfs/dbraw/zinc/21/73/12/178217312.db2.gz BXQXDGPLSZVDAI-CYBMUJFWSA-N 1 0 253.389 4.671 10 0 CJAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082708170 178216790 /nfs/dbraw/zinc/21/67/90/178216790.db2.gz MEVWYPVKUSJIOA-LBPRGKRZSA-N 1 0 271.379 4.810 10 0 CJAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082708171 178217018 /nfs/dbraw/zinc/21/70/18/178217018.db2.gz MEVWYPVKUSJIOA-GFCCVEGCSA-N 1 0 271.379 4.810 10 0 CJAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccccc2C(F)(F)F)c1 ZINC000082708372 178217573 /nfs/dbraw/zinc/21/75/73/178217573.db2.gz SDUSXYJSVVRHAM-VIFPVBQESA-N 1 0 283.268 4.531 10 0 CJAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccccc2C(F)(F)F)c1 ZINC000082708373 178217500 /nfs/dbraw/zinc/21/75/00/178217500.db2.gz SDUSXYJSVVRHAM-SECBINFHSA-N 1 0 283.268 4.531 10 0 CJAERO C[C@H]([NH3+])c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000082708390 178217939 /nfs/dbraw/zinc/21/79/39/178217939.db2.gz UAKNFWTXTMETLC-VIFPVBQESA-N 1 0 283.268 4.531 10 0 CJAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000082708391 178217962 /nfs/dbraw/zinc/21/79/62/178217962.db2.gz UAKNFWTXTMETLC-SECBINFHSA-N 1 0 283.268 4.531 10 0 CJAERO C[C@H]([NH3+])c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082708404 178217733 /nfs/dbraw/zinc/21/77/33/178217733.db2.gz VKENHBIWCUYMLW-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082708405 178217652 /nfs/dbraw/zinc/21/76/52/178217652.db2.gz VKENHBIWCUYMLW-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000082708406 178217995 /nfs/dbraw/zinc/21/79/95/178217995.db2.gz PVURTZSYQWHCBG-VIFPVBQESA-N 1 0 266.171 4.680 10 0 CJAERO C[C@@H]([NH3+])c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000082708407 178218065 /nfs/dbraw/zinc/21/80/65/178218065.db2.gz PVURTZSYQWHCBG-SECBINFHSA-N 1 0 266.171 4.680 10 0 CJAERO C[C@H]([NH3+])c1ccc(F)c(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082708412 178217621 /nfs/dbraw/zinc/21/76/21/178217621.db2.gz AXSOGKDFNQBXKT-QMMMGPOBSA-N 1 0 284.161 4.819 10 0 CJAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082708413 178217676 /nfs/dbraw/zinc/21/76/76/178217676.db2.gz AXSOGKDFNQBXKT-MRVPVSSYSA-N 1 0 284.161 4.819 10 0 CJAERO C[C@H]([NH3+])Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000082708426 178217919 /nfs/dbraw/zinc/21/79/19/178217919.db2.gz XEONYYGXGVOLHT-JTQLQIEISA-N 1 0 280.198 4.550 10 0 CJAERO C[C@@H]([NH3+])Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000082708427 178218035 /nfs/dbraw/zinc/21/80/35/178218035.db2.gz XEONYYGXGVOLHT-SNVBAGLBSA-N 1 0 280.198 4.550 10 0 CJAERO C[C@H]([NH3+])c1ccc(F)c(-c2cccc(Cl)c2Cl)c1 ZINC000082708428 178217867 /nfs/dbraw/zinc/21/78/67/178217867.db2.gz WDHSOPPXGCQYPB-QMMMGPOBSA-N 1 0 284.161 4.819 10 0 CJAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cccc(Cl)c2Cl)c1 ZINC000082708429 178217970 /nfs/dbraw/zinc/21/79/70/178217970.db2.gz WDHSOPPXGCQYPB-MRVPVSSYSA-N 1 0 284.161 4.819 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000082709671 178220203 /nfs/dbraw/zinc/22/02/03/178220203.db2.gz FWVNZUXLFVEOBK-SFHVURJKSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000082709672 178219791 /nfs/dbraw/zinc/21/97/91/178219791.db2.gz FWVNZUXLFVEOBK-GOSISDBHSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082710301 178221867 /nfs/dbraw/zinc/22/18/67/178221867.db2.gz AQCDVHPAIBGVBS-KRWDZBQOSA-N 1 0 276.383 4.572 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082710302 178221617 /nfs/dbraw/zinc/22/16/17/178221617.db2.gz AQCDVHPAIBGVBS-QGZVFWFLSA-N 1 0 276.383 4.572 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000082710351 178221629 /nfs/dbraw/zinc/22/16/29/178221629.db2.gz GXZCQGRFSZVRML-SFHVURJKSA-N 1 0 276.383 4.572 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000082710352 178221692 /nfs/dbraw/zinc/22/16/92/178221692.db2.gz GXZCQGRFSZVRML-GOSISDBHSA-N 1 0 276.383 4.572 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082710383 178221658 /nfs/dbraw/zinc/22/16/58/178221658.db2.gz XPWKWWZTWYKLRF-INIZCTEOSA-N 1 0 277.770 4.817 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082710384 178221642 /nfs/dbraw/zinc/22/16/42/178221642.db2.gz XPWKWWZTWYKLRF-MRXNPFEDSA-N 1 0 277.770 4.817 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(F)c(Cl)c2)c1 ZINC000082710385 178221588 /nfs/dbraw/zinc/22/15/88/178221588.db2.gz OOZRPXMBBDVTMV-VIFPVBQESA-N 1 0 281.733 4.566 10 0 CJAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(F)c(Cl)c2)c1 ZINC000082710386 178221860 /nfs/dbraw/zinc/22/18/60/178221860.db2.gz OOZRPXMBBDVTMV-SECBINFHSA-N 1 0 281.733 4.566 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2ccc3c(c2)CCCC3)c1 ZINC000082710421 178222565 /nfs/dbraw/zinc/22/25/65/178222565.db2.gz XJSKQHAWYTZMBF-AWEZNQCLSA-N 1 0 265.400 4.513 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2ccc3c(c2)CCCC3)c1 ZINC000082710422 178222249 /nfs/dbraw/zinc/22/22/49/178222249.db2.gz XJSKQHAWYTZMBF-CQSZACIVSA-N 1 0 265.400 4.513 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082710423 178222222 /nfs/dbraw/zinc/22/22/22/178222222.db2.gz VWTGPWFYCPRPDY-AWEZNQCLSA-N 1 0 265.400 4.513 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082710424 178222535 /nfs/dbraw/zinc/22/25/35/178222535.db2.gz VWTGPWFYCPRPDY-CQSZACIVSA-N 1 0 265.400 4.513 10 0 CJAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082710431 178222183 /nfs/dbraw/zinc/22/21/83/178222183.db2.gz YBAYWHFWEUNYSU-FQEVSTJZSA-N 1 0 279.427 4.903 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000082710432 178222485 /nfs/dbraw/zinc/22/24/85/178222485.db2.gz YBAYWHFWEUNYSU-HXUWFJFHSA-N 1 0 279.427 4.903 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc3c(c2)CCCC3)c1 ZINC000082710433 178222356 /nfs/dbraw/zinc/22/23/56/178222356.db2.gz UXDDNXQRJCIXCG-ZDUSSCGKSA-N 1 0 283.390 4.652 10 0 CJAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc3c(c2)CCCC3)c1 ZINC000082710434 178222309 /nfs/dbraw/zinc/22/23/09/178222309.db2.gz UXDDNXQRJCIXCG-CYBMUJFWSA-N 1 0 283.390 4.652 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082710473 178222335 /nfs/dbraw/zinc/22/23/35/178222335.db2.gz YSBBTALJKRLRBV-AWEZNQCLSA-N 1 0 267.416 4.932 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2ccc(C(C)(C)C)cc2)c1 ZINC000082710474 178222375 /nfs/dbraw/zinc/22/23/75/178222375.db2.gz YSBBTALJKRLRBV-CQSZACIVSA-N 1 0 267.416 4.932 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 ZINC000082710475 178222474 /nfs/dbraw/zinc/22/24/74/178222474.db2.gz YCKHPSYICDVBEC-AWEZNQCLSA-N 1 0 267.416 4.932 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 ZINC000082710476 178222407 /nfs/dbraw/zinc/22/24/07/178222407.db2.gz YCKHPSYICDVBEC-CQSZACIVSA-N 1 0 267.416 4.932 10 0 CJAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccccc2C(F)(F)F)c1 ZINC000082710636 178222831 /nfs/dbraw/zinc/22/28/31/178222831.db2.gz QKOPLEFWVCXDHN-SNVBAGLBSA-N 1 0 297.295 4.792 10 0 CJAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000082710646 178223173 /nfs/dbraw/zinc/22/31/73/178223173.db2.gz MDTNECQQXWAWRO-SNVBAGLBSA-N 1 0 297.295 4.792 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082710649 178222763 /nfs/dbraw/zinc/22/27/63/178222763.db2.gz VJUSKZIUODBNDF-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000082710650 178222873 /nfs/dbraw/zinc/22/28/73/178222873.db2.gz VJUSKZIUODBNDF-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000082710651 178223140 /nfs/dbraw/zinc/22/31/40/178223140.db2.gz OFFWRZCCGACRQK-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000082710652 178223220 /nfs/dbraw/zinc/22/32/20/178223220.db2.gz OFFWRZCCGACRQK-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000082710669 178222725 /nfs/dbraw/zinc/22/27/25/178222725.db2.gz MQXPOMFVZIGBDZ-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000082710670 178223275 /nfs/dbraw/zinc/22/32/75/178223275.db2.gz MQXPOMFVZIGBDZ-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000082710671 178223280 /nfs/dbraw/zinc/22/32/80/178223280.db2.gz MJXGMKRRKWEJSM-JTQLQIEISA-N 1 0 280.198 4.941 10 0 CJAERO C[NH2+][C@H](C)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000082710672 178222914 /nfs/dbraw/zinc/22/29/14/178222914.db2.gz MJXGMKRRKWEJSM-SNVBAGLBSA-N 1 0 280.198 4.941 10 0 CJAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000082713390 178226487 /nfs/dbraw/zinc/22/64/87/178226487.db2.gz JDRJTGKYHIHTMK-QMMMGPOBSA-N 1 0 284.161 4.819 10 0 CJAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000082713391 178226669 /nfs/dbraw/zinc/22/66/69/178226669.db2.gz JDRJTGKYHIHTMK-MRVPVSSYSA-N 1 0 284.161 4.819 10 0 CJAERO Cc1cc([C@@H](C)[NH2+]CCc2cccc(Cl)c2)c(C)s1 ZINC000083251445 178369430 /nfs/dbraw/zinc/36/94/30/178369430.db2.gz ZXZUODVQWOKXIP-GFCCVEGCSA-N 1 0 293.863 4.912 10 0 CJAERO Cc1cc([C@H](C)[NH2+]CCc2cccc(Cl)c2)c(C)s1 ZINC000083251446 178369526 /nfs/dbraw/zinc/36/95/26/178369526.db2.gz ZXZUODVQWOKXIP-LBPRGKRZSA-N 1 0 293.863 4.912 10 0 CJAERO Cc1ccccc1Oc1ccc(C[NH2+]CC(C)C)cc1 ZINC000083514900 178545191 /nfs/dbraw/zinc/54/51/91/178545191.db2.gz WQXDYPUKSSANBX-UHFFFAOYSA-N 1 0 269.388 4.533 10 0 CJAERO CCC[C@H]([NH3+])c1cc2c(o1)c(Cl)ccc2Cl ZINC000083821449 567027567 /nfs/dbraw/zinc/02/75/67/567027567.db2.gz UGYCPRLACWQLTO-JTQLQIEISA-N 1 0 258.148 4.540 10 0 CJAERO CCC[C@@H]([NH3+])c1cc2c(o1)c(Cl)ccc2Cl ZINC000083821450 567028402 /nfs/dbraw/zinc/02/84/02/567028402.db2.gz UGYCPRLACWQLTO-SNVBAGLBSA-N 1 0 258.148 4.540 10 0 CJAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126121 330489012 /nfs/dbraw/zinc/48/90/12/330489012.db2.gz SXKFJUDOWAAPFF-IWMBGFJWSA-N 1 0 277.374 4.523 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1cccs1 ZINC000085433258 525536919 /nfs/dbraw/zinc/53/69/19/525536919.db2.gz ONGJOAVBCBYMAK-QWRGUYRKSA-N 1 0 288.441 4.770 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1cccs1 ZINC000085433262 525619557 /nfs/dbraw/zinc/61/95/57/525619557.db2.gz ONGJOAVBCBYMAK-WDEREUQCSA-N 1 0 288.441 4.770 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cnc2ccsc2c1 ZINC000085433264 525617539 /nfs/dbraw/zinc/61/75/39/525617539.db2.gz ONGJOAVBCBYMAK-MNOVXSKESA-N 1 0 288.441 4.770 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cnc2ccsc2c1)c1cccs1 ZINC000085433266 525665418 /nfs/dbraw/zinc/66/54/18/525665418.db2.gz ONGJOAVBCBYMAK-GHMZBOCLSA-N 1 0 288.441 4.770 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)C1CCCC1 ZINC000085434117 330490164 /nfs/dbraw/zinc/49/01/64/330490164.db2.gz OYQKQIJKLDEOAZ-NEPJUHHUSA-N 1 0 274.433 4.526 10 0 CJAERO C[C@@H](c1ccco1)[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000086233172 330369222 /nfs/dbraw/zinc/36/92/22/330369222.db2.gz IOICWIQAGBFBLY-AWEZNQCLSA-N 1 0 292.382 4.553 10 0 CJAERO C[C@H](c1ccco1)[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000086233174 330369208 /nfs/dbraw/zinc/36/92/08/330369208.db2.gz IOICWIQAGBFBLY-CQSZACIVSA-N 1 0 292.382 4.553 10 0 CJAERO C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccc(Cl)s1 ZINC000086332404 330494842 /nfs/dbraw/zinc/49/48/42/330494842.db2.gz PBYJXVSJDRASBT-SSDOTTSWSA-N 1 0 292.256 4.967 10 0 CJAERO CC[C@@H]([NH2+]Cc1cc(Cl)cs1)c1cccs1 ZINC000086332628 522872185 /nfs/dbraw/zinc/87/21/85/522872185.db2.gz XBRKZRZOEGDTBR-LLVKDONJSA-N 1 0 271.838 4.704 10 0 CJAERO CC[NH2+]CCCCc1ccc(C2CCCCC2)cc1 ZINC000087730181 179479087 /nfs/dbraw/zinc/47/90/87/179479087.db2.gz SHEDHDWIXURKJD-UHFFFAOYSA-N 1 0 259.437 4.667 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1cccs1 ZINC000087816131 260231137 /nfs/dbraw/zinc/23/11/37/260231137.db2.gz OENCLKKZFZPTCY-BLLLJJGKSA-N 1 0 296.439 4.958 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1cccs1 ZINC000087816132 260231255 /nfs/dbraw/zinc/23/12/55/260231255.db2.gz OENCLKKZFZPTCY-MLGOLLRUSA-N 1 0 296.439 4.958 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)c1cccs1 ZINC000087816133 260231069 /nfs/dbraw/zinc/23/10/69/260231069.db2.gz OENCLKKZFZPTCY-LRDDRELGSA-N 1 0 296.439 4.958 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)c1cccs1 ZINC000087816134 260231018 /nfs/dbraw/zinc/23/10/18/260231018.db2.gz OENCLKKZFZPTCY-WBMJQRKESA-N 1 0 296.439 4.958 10 0 CJAERO CC(C)(C)[NH2+]CCCc1ccc(-c2ccccc2)cc1 ZINC000088150535 179557447 /nfs/dbraw/zinc/55/74/47/179557447.db2.gz GPTBTUAJXIBJLZ-UHFFFAOYSA-N 1 0 267.416 4.674 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)o1 ZINC000089213337 333095660 /nfs/dbraw/zinc/09/56/60/333095660.db2.gz CDDCWOVBORZREE-NXEZZACHSA-N 1 0 283.824 4.969 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)o1 ZINC000089213339 333095605 /nfs/dbraw/zinc/09/56/05/333095605.db2.gz CDDCWOVBORZREE-VHSXEESVSA-N 1 0 283.824 4.969 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)o1 ZINC000089216208 260130718 /nfs/dbraw/zinc/13/07/18/260130718.db2.gz CDDCWOVBORZREE-UWVGGRQHSA-N 1 0 283.824 4.969 10 0 CJAERO CCCn1ccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2)c1 ZINC000091010277 260264806 /nfs/dbraw/zinc/26/48/06/260264806.db2.gz WDDSNWAGBFMVAJ-KRWDZBQOSA-N 1 0 290.838 4.792 10 0 CJAERO CCCn1ccc(C[NH2+][C@H](CC)c2cccc(Cl)c2)c1 ZINC000091010278 260264438 /nfs/dbraw/zinc/26/44/38/260264438.db2.gz WDDSNWAGBFMVAJ-QGZVFWFLSA-N 1 0 290.838 4.792 10 0 CJAERO CCCn1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000091010666 327165392 /nfs/dbraw/zinc/16/53/92/327165392.db2.gz WOODNAUTTVSHDY-GOSISDBHSA-N 1 0 288.410 4.524 10 0 CJAERO CCCn1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000091010667 327165406 /nfs/dbraw/zinc/16/54/06/327165406.db2.gz WOODNAUTTVSHDY-SFHVURJKSA-N 1 0 288.410 4.524 10 0 CJAERO CCCn1ccc(C[NH2+][C@@H](CC)c2ccc(Cl)cc2)c1 ZINC000091010768 327165346 /nfs/dbraw/zinc/16/53/46/327165346.db2.gz JIFYZEXZNQRKEG-KRWDZBQOSA-N 1 0 290.838 4.792 10 0 CJAERO CCCn1ccc(C[NH2+][C@H](CC)c2ccc(Cl)cc2)c1 ZINC000091010769 327165228 /nfs/dbraw/zinc/16/52/28/327165228.db2.gz JIFYZEXZNQRKEG-QGZVFWFLSA-N 1 0 290.838 4.792 10 0 CJAERO CCCn1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c1 ZINC000091010899 327165402 /nfs/dbraw/zinc/16/54/02/327165402.db2.gz GWMUHQZVBRQBDH-SFHVURJKSA-N 1 0 284.447 4.775 10 0 CJAERO CCCn1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)c1 ZINC000091010900 327165369 /nfs/dbraw/zinc/16/53/69/327165369.db2.gz GWMUHQZVBRQBDH-GOSISDBHSA-N 1 0 284.447 4.775 10 0 CJAERO CCC[C@H]([NH2+]Cc1ccn(CCC)c1)c1ccccc1 ZINC000091011276 260264865 /nfs/dbraw/zinc/26/48/65/260264865.db2.gz WGQAICRLHAIFDE-SFHVURJKSA-N 1 0 270.420 4.529 10 0 CJAERO CCC[C@@H]([NH2+]Cc1ccn(CCC)c1)c1ccccc1 ZINC000091011277 260264776 /nfs/dbraw/zinc/26/47/76/260264776.db2.gz WGQAICRLHAIFDE-GOSISDBHSA-N 1 0 270.420 4.529 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000093093277 328507935 /nfs/dbraw/zinc/50/79/35/328507935.db2.gz AIRVXCUPNGYGFP-LLVKDONJSA-N 1 0 265.809 4.561 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000093093279 328507888 /nfs/dbraw/zinc/50/78/88/328507888.db2.gz AIRVXCUPNGYGFP-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000093094521 328507901 /nfs/dbraw/zinc/50/79/01/328507901.db2.gz NULYCJUBTXFCFT-SCZZXKLOSA-N 1 0 297.773 4.612 10 0 CJAERO Cc1ccccc1[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000093248909 263512824 /nfs/dbraw/zinc/51/28/24/263512824.db2.gz WBNWLRISOCQCGD-MRXNPFEDSA-N 1 0 293.332 4.626 10 0 CJAERO Cc1ccccc1[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000093248910 263513267 /nfs/dbraw/zinc/51/32/67/263513267.db2.gz WBNWLRISOCQCGD-INIZCTEOSA-N 1 0 293.332 4.626 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094826207 265259385 /nfs/dbraw/zinc/25/93/85/265259385.db2.gz USTLMPNEKHYITG-QWHCGFSZSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000094826208 265259395 /nfs/dbraw/zinc/25/93/95/265259395.db2.gz USTLMPNEKHYITG-STQMWFEESA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094826209 265260207 /nfs/dbraw/zinc/26/02/07/265260207.db2.gz USTLMPNEKHYITG-CHWSQXEVSA-N 1 0 275.342 4.685 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000094826210 265260419 /nfs/dbraw/zinc/26/04/19/265260419.db2.gz USTLMPNEKHYITG-OLZOCXBDSA-N 1 0 275.342 4.685 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000094826551 265259337 /nfs/dbraw/zinc/25/93/37/265259337.db2.gz AHNCCKGIPIIIPC-UWVGGRQHSA-N 1 0 297.295 4.655 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000094826552 265259636 /nfs/dbraw/zinc/25/96/36/265259636.db2.gz AHNCCKGIPIIIPC-ZJUUUORDSA-N 1 0 297.295 4.655 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000094826553 265259539 /nfs/dbraw/zinc/25/95/39/265259539.db2.gz AHNCCKGIPIIIPC-VHSXEESVSA-N 1 0 297.295 4.655 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000094826554 265260402 /nfs/dbraw/zinc/26/04/02/265260402.db2.gz AHNCCKGIPIIIPC-NXEZZACHSA-N 1 0 297.295 4.655 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000094827401 265260185 /nfs/dbraw/zinc/26/01/85/265260185.db2.gz PWKUECIUTKFKQR-SJCJKPOMSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000094827402 265260440 /nfs/dbraw/zinc/26/04/40/265260440.db2.gz PWKUECIUTKFKQR-YVEFUNNKSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000094827403 265259555 /nfs/dbraw/zinc/25/95/55/265259555.db2.gz PWKUECIUTKFKQR-PXAZEXFGSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1ccccc1 ZINC000094827404 265259354 /nfs/dbraw/zinc/25/93/54/265259354.db2.gz PWKUECIUTKFKQR-SJKOYZFVSA-N 1 0 275.342 4.767 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1cccs1 ZINC000094837709 265263253 /nfs/dbraw/zinc/26/32/53/265263253.db2.gz NZZDLBDUGOZLRX-WFASDCNBSA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1cccs1 ZINC000094837710 265264066 /nfs/dbraw/zinc/26/40/66/265264066.db2.gz NZZDLBDUGOZLRX-SWLSCSKDSA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1cccs1 ZINC000094837711 265263664 /nfs/dbraw/zinc/26/36/64/265263664.db2.gz NZZDLBDUGOZLRX-DOMZBBRYSA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1cccs1 ZINC000094837712 265263533 /nfs/dbraw/zinc/26/35/33/265263533.db2.gz NZZDLBDUGOZLRX-IUODEOHRSA-N 1 0 277.408 4.998 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)c(C)o1 ZINC000094837793 265264221 /nfs/dbraw/zinc/26/42/21/265264221.db2.gz WOJWSNYGWDSKSS-OLZOCXBDSA-N 1 0 275.367 4.756 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c(C)o1 ZINC000094837794 265263641 /nfs/dbraw/zinc/26/36/41/265263641.db2.gz WOJWSNYGWDSKSS-STQMWFEESA-N 1 0 275.367 4.756 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)c(C)o1 ZINC000094837795 265263298 /nfs/dbraw/zinc/26/32/98/265263298.db2.gz WOJWSNYGWDSKSS-CHWSQXEVSA-N 1 0 275.367 4.756 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c(C)o1 ZINC000094837796 265264374 /nfs/dbraw/zinc/26/43/74/265264374.db2.gz WOJWSNYGWDSKSS-QWHCGFSZSA-N 1 0 275.367 4.756 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1ccccc1 ZINC000094837865 265263711 /nfs/dbraw/zinc/26/37/11/265263711.db2.gz HRNMIKMXEDTRMF-KSSFIOAISA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1ccccc1 ZINC000094837866 265263956 /nfs/dbraw/zinc/26/39/56/265263956.db2.gz HRNMIKMXEDTRMF-KBXCAEBGSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1ccccc1 ZINC000094837867 265264139 /nfs/dbraw/zinc/26/41/39/265264139.db2.gz HRNMIKMXEDTRMF-KDOFPFPSSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1ccccc1 ZINC000094837868 265264421 /nfs/dbraw/zinc/26/44/21/265264421.db2.gz HRNMIKMXEDTRMF-RDTXWAMCSA-N 1 0 271.379 4.936 10 0 CJAERO CSc1ccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094952338 265277499 /nfs/dbraw/zinc/27/74/99/265277499.db2.gz VNYCLVGEGWMMSU-CYBMUJFWSA-N 1 0 289.419 4.707 10 0 CJAERO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094952339 265277617 /nfs/dbraw/zinc/27/76/17/265277617.db2.gz VNYCLVGEGWMMSU-ZDUSSCGKSA-N 1 0 289.419 4.707 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094952569 265277980 /nfs/dbraw/zinc/27/79/80/265277980.db2.gz SVZJBWOJSPRYAN-OLZOCXBDSA-N 1 0 277.408 4.916 10 0 CJAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094952570 265277669 /nfs/dbraw/zinc/27/76/69/265277669.db2.gz SVZJBWOJSPRYAN-STQMWFEESA-N 1 0 277.408 4.916 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094952571 265277887 /nfs/dbraw/zinc/27/78/87/265277887.db2.gz SVZJBWOJSPRYAN-CHWSQXEVSA-N 1 0 277.408 4.916 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094952572 265277436 /nfs/dbraw/zinc/27/74/36/265277436.db2.gz SVZJBWOJSPRYAN-QWHCGFSZSA-N 1 0 277.408 4.916 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)cc1F ZINC000094952687 265277643 /nfs/dbraw/zinc/27/76/43/265277643.db2.gz PMBGBWCXQJXKSP-LLVKDONJSA-N 1 0 295.760 4.777 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)cc1F ZINC000094952688 265277406 /nfs/dbraw/zinc/27/74/06/265277406.db2.gz PMBGBWCXQJXKSP-NSHDSACASA-N 1 0 295.760 4.777 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cs2)cc1F ZINC000094952963 265277930 /nfs/dbraw/zinc/27/79/30/265277930.db2.gz SCVDDUSGPNTVCG-SNVBAGLBSA-N 1 0 283.799 4.700 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cs2)cc1F ZINC000094952964 265277367 /nfs/dbraw/zinc/27/73/67/265277367.db2.gz SCVDDUSGPNTVCG-JTQLQIEISA-N 1 0 283.799 4.700 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1F ZINC000094952979 265277881 /nfs/dbraw/zinc/27/78/81/265277881.db2.gz KTXYQMOLXMZDBU-NEPJUHHUSA-N 1 0 293.332 4.824 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1F ZINC000094952980 265277294 /nfs/dbraw/zinc/27/72/94/265277294.db2.gz KTXYQMOLXMZDBU-RYUDHWBXSA-N 1 0 293.332 4.824 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1F ZINC000094952981 265277955 /nfs/dbraw/zinc/27/79/55/265277955.db2.gz KTXYQMOLXMZDBU-VXGBXAGGSA-N 1 0 293.332 4.824 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1F ZINC000094952982 265277829 /nfs/dbraw/zinc/27/78/29/265277829.db2.gz KTXYQMOLXMZDBU-NWDGAFQWSA-N 1 0 293.332 4.824 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000094953033 265277239 /nfs/dbraw/zinc/27/72/39/265277239.db2.gz WAESMKUSTGPRFD-CABCVRRESA-N 1 0 271.379 4.854 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000094953034 265277748 /nfs/dbraw/zinc/27/77/48/265277748.db2.gz WAESMKUSTGPRFD-GJZGRUSLSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000094953035 265277773 /nfs/dbraw/zinc/27/77/73/265277773.db2.gz WAESMKUSTGPRFD-HUUCEWRRSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000094953036 265278827 /nfs/dbraw/zinc/27/88/27/265278827.db2.gz WAESMKUSTGPRFD-LSDHHAIUSA-N 1 0 271.379 4.854 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2Cl)cc1F ZINC000094955549 265279181 /nfs/dbraw/zinc/27/91/81/265279181.db2.gz SMVMEAXMMRHJKT-LLVKDONJSA-N 1 0 295.760 4.777 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2Cl)cc1F ZINC000094955550 265279247 /nfs/dbraw/zinc/27/92/47/265279247.db2.gz SMVMEAXMMRHJKT-NSHDSACASA-N 1 0 295.760 4.777 10 0 CJAERO C[C@H]([NH2+]C1CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095089169 184940206 /nfs/dbraw/zinc/94/02/06/184940206.db2.gz QHGGSWAUFGOUJN-ZDUSSCGKSA-N 1 0 271.448 4.849 10 0 CJAERO C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1[C@@H]1CCCC(F)(F)C1 ZINC000095831266 185029671 /nfs/dbraw/zinc/02/96/71/185029671.db2.gz RLROUSFMKCIHFB-GVDBMIGSSA-N 1 0 293.401 4.690 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000096496818 265366231 /nfs/dbraw/zinc/36/62/31/265366231.db2.gz QKZKHQMZSXCORN-ZWKOTPCHSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000096496820 265366350 /nfs/dbraw/zinc/36/63/50/265366350.db2.gz QKZKHQMZSXCORN-QZTJIDSGSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000096496822 265365956 /nfs/dbraw/zinc/36/59/56/265365956.db2.gz QKZKHQMZSXCORN-ROUUACIJSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000096496824 265366418 /nfs/dbraw/zinc/36/64/18/265366418.db2.gz QKZKHQMZSXCORN-MSOLQXFVSA-N 1 0 269.363 4.554 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(Cl)cc1 ZINC000096496857 265366495 /nfs/dbraw/zinc/36/64/95/265366495.db2.gz KWTHCXIJJBAWOU-APPDUMDISA-N 1 0 289.781 4.817 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(Cl)cc1 ZINC000096496859 265366531 /nfs/dbraw/zinc/36/65/31/265366531.db2.gz KWTHCXIJJBAWOU-PIGZYNQJSA-N 1 0 289.781 4.817 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(Cl)cc1 ZINC000096496861 265366655 /nfs/dbraw/zinc/36/66/55/265366655.db2.gz KWTHCXIJJBAWOU-GTNSWQLSSA-N 1 0 289.781 4.817 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(Cl)cc1 ZINC000096496863 265366376 /nfs/dbraw/zinc/36/63/76/265366376.db2.gz KWTHCXIJJBAWOU-DIFFPNOSSA-N 1 0 289.781 4.817 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cccc(Cl)c1 ZINC000096496865 265366394 /nfs/dbraw/zinc/36/63/94/265366394.db2.gz BBWOFRVGYGABIE-APPDUMDISA-N 1 0 289.781 4.817 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cccc(Cl)c1 ZINC000096496869 265366125 /nfs/dbraw/zinc/36/61/25/265366125.db2.gz BBWOFRVGYGABIE-GTNSWQLSSA-N 1 0 289.781 4.817 10 0 CJAERO Cc1ccc(C(C)C)cc1/C(=C/CCC[NH3+])C(C)C ZINC000096890739 185123629 /nfs/dbraw/zinc/12/36/29/185123629.db2.gz CUYDISKJFJPURK-CAOOACKPSA-N 1 0 259.437 4.897 10 0 CJAERO C[C@@H](CCC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000096890991 185124627 /nfs/dbraw/zinc/12/46/27/185124627.db2.gz CVJBKWBZMBYDKD-ZDUSSCGKSA-N 1 0 263.450 4.564 10 0 CJAERO C[C@H](CCC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000096890992 185125029 /nfs/dbraw/zinc/12/50/29/185125029.db2.gz CVJBKWBZMBYDKD-CYBMUJFWSA-N 1 0 263.450 4.564 10 0 CJAERO CC(C)Sc1ccc(/C(=C/CC[NH3+])C(C)C)cc1 ZINC000096891020 185125075 /nfs/dbraw/zinc/12/50/75/185125075.db2.gz CGYAPUCQPCYFFE-OMCISZLKSA-N 1 0 263.450 4.575 10 0 CJAERO Cc1cc(C(C)(C)C)ccc1[C@@H](CCC[NH3+])C(C)C ZINC000096891509 185125108 /nfs/dbraw/zinc/12/51/08/185125108.db2.gz SFJNBNYUUPUHFW-INIZCTEOSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1cc(C(C)(C)C)ccc1[C@H](CCC[NH3+])C(C)C ZINC000096891510 185124696 /nfs/dbraw/zinc/12/46/96/185124696.db2.gz SFJNBNYUUPUHFW-MRXNPFEDSA-N 1 0 261.453 4.771 10 0 CJAERO Cc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000097849104 265638679 /nfs/dbraw/zinc/63/86/79/265638679.db2.gz IPKDIPQFRWDXEI-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO C[NH2+]CCCCCCCCCCCCCCN=O ZINC000098090388 185686424 /nfs/dbraw/zinc/68/64/24/185686424.db2.gz CCJBWZSHFIWLCE-UHFFFAOYSA-N 1 0 256.434 4.653 10 0 CJAERO CCCCc1ccc([C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000098160079 185695060 /nfs/dbraw/zinc/69/50/60/185695060.db2.gz HPISYGQFRUDNMP-SFHVURJKSA-N 1 0 259.437 4.652 10 0 CJAERO Cc1cc(C(C)(C)C)cc(C)c1CCC[NH2+]C(C)C ZINC000098160205 185694690 /nfs/dbraw/zinc/69/46/90/185694690.db2.gz JBZWGGIPYLUSLF-UHFFFAOYSA-N 1 0 261.453 4.532 10 0 CJAERO CC[C@@H]([NH2+]C)c1ccc(-c2cccc3cccnc32)cc1 ZINC000098169800 185696382 /nfs/dbraw/zinc/69/63/82/185696382.db2.gz YQDWXQGISAXLKB-GOSISDBHSA-N 1 0 276.383 4.572 10 0 CJAERO c1cc(C2CCCCC2)ccc1C[NH+]1CCCCC1 ZINC000098178603 185698649 /nfs/dbraw/zinc/69/86/49/185698649.db2.gz BOBQKIWBOQNKEQ-UHFFFAOYSA-N 1 0 257.421 4.720 10 0 CJAERO Cc1[nH+]c(-c2ccc(Cl)c(Cl)c2)c(N)n1C(C)(C)C ZINC000103500229 185846277 /nfs/dbraw/zinc/84/62/77/185846277.db2.gz CDXJSMFNDUUGFK-UHFFFAOYSA-N 1 0 298.217 4.503 10 0 CJAERO CCC[NH2+][C@@H](c1cccc(F)c1)C1CCC(C)CC1 ZINC000103929779 185863112 /nfs/dbraw/zinc/86/31/12/185863112.db2.gz CCBIPHOZDCYFKE-MQBCKMQZSA-N 1 0 263.400 4.693 10 0 CJAERO CCCC[C@H](CC)C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000103930353 185863424 /nfs/dbraw/zinc/86/34/24/185863424.db2.gz JVNDQQBSZJJNFI-YXJHDRRASA-N 1 0 259.437 4.726 10 0 CJAERO Cc1ccc([C@](C)([NH3+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000103930674 185863448 /nfs/dbraw/zinc/86/34/48/185863448.db2.gz VISCMYUKTGUNTN-MRXNPFEDSA-N 1 0 294.225 4.718 10 0 CJAERO Cc1ccc([C@@](C)([NH3+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000103930677 185863213 /nfs/dbraw/zinc/86/32/13/185863213.db2.gz VISCMYUKTGUNTN-INIZCTEOSA-N 1 0 294.225 4.718 10 0 CJAERO Cc1cccc([C@@H]([NH3+])Cc2ccc(Cl)cc2Cl)c1C ZINC000103930886 185863719 /nfs/dbraw/zinc/86/37/19/185863719.db2.gz JVSWRWGECYPYHG-INIZCTEOSA-N 1 0 294.225 4.853 10 0 CJAERO CC[NH2+][C@H](Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000103930935 185863963 /nfs/dbraw/zinc/86/39/63/185863963.db2.gz JHHXIWJYLLLPAC-MRXNPFEDSA-N 1 0 294.225 4.887 10 0 CJAERO CCC[NH2+][C@H](CCc1cc(C)ccc1C)C(C)(C)C ZINC000103931726 185864030 /nfs/dbraw/zinc/86/40/30/185864030.db2.gz GIEHCLMFEYGREM-QGZVFWFLSA-N 1 0 261.453 4.650 10 0 CJAERO CCc1ccc(C[C@]2([NH3+])C[C@@H](C)CC[C@@H]2C(C)C)s1 ZINC000103932100 185864006 /nfs/dbraw/zinc/86/40/06/185864006.db2.gz XHBYELIHJYRPRN-IAOVAPTHSA-N 1 0 279.493 4.643 10 0 CJAERO CCC[NH2+][C@H](CCC(C)(C)C)c1cccc(F)c1 ZINC000103932338 185863750 /nfs/dbraw/zinc/86/37/50/185863750.db2.gz YVPKGIJFLPAEDK-OAHLLOKOSA-N 1 0 251.389 4.693 10 0 CJAERO CCC[NH2+][C@H](Cc1cc(C)ccc1C)c1ccsc1 ZINC000103932367 185864032 /nfs/dbraw/zinc/86/40/32/185864032.db2.gz ZYXDJWDWZBQBQW-QGZVFWFLSA-N 1 0 273.445 4.648 10 0 CJAERO CC[NH2+][C@@H](CCC(C)(C)C)c1ccccc1Br ZINC000103932479 185863956 /nfs/dbraw/zinc/86/39/56/185863956.db2.gz MCKNTOSAUIMEAH-AWEZNQCLSA-N 1 0 298.268 4.926 10 0 CJAERO CC[NH2+][C@@H](c1cc(F)ccc1C)C1CCC(C)CC1 ZINC000103932538 185864262 /nfs/dbraw/zinc/86/42/62/185864262.db2.gz BTWZPFGPTKBLNU-MKTAYPAQSA-N 1 0 263.400 4.611 10 0 CJAERO CC[NH2+][C@@H](c1ccccc1Cl)C1CCC(C)CC1 ZINC000103932549 185864035 /nfs/dbraw/zinc/86/40/35/185864035.db2.gz ZLKXLNHCLJUYOF-SEEARECTSA-N 1 0 265.828 4.817 10 0 CJAERO CC[NH2+][C@H](c1ccccc1Cl)C1CCC(C)CC1 ZINC000103932554 185864356 /nfs/dbraw/zinc/86/43/56/185864356.db2.gz ZLKXLNHCLJUYOF-ZUEPYMLJSA-N 1 0 265.828 4.817 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)C1CCC(C)CC1 ZINC000103932562 185864397 /nfs/dbraw/zinc/86/43/97/185864397.db2.gz UXWLLAPQGOHRLH-YIZWMMSDSA-N 1 0 285.884 4.748 10 0 CJAERO CC[NH2+][C@@H](c1ccc(Cl)cc1F)C1CCCCC1 ZINC000103932611 185864424 /nfs/dbraw/zinc/86/44/24/185864424.db2.gz SUPXMHIHQHBPIF-OAHLLOKOSA-N 1 0 269.791 4.710 10 0 CJAERO CCCC[C@H]([NH2+]CCC)c1ccc(Cl)cc1F ZINC000103932633 185864164 /nfs/dbraw/zinc/86/41/64/185864164.db2.gz ZHYQGOFNKLRTRV-AWEZNQCLSA-N 1 0 257.780 4.710 10 0 CJAERO CC[NH2+][C@H](C)c1oc2c(cccc2[C@H](C)CC)c1C ZINC000103933154 185863758 /nfs/dbraw/zinc/86/37/58/185863758.db2.gz PQZUBXRFSZCZGM-DGCLKSJQSA-N 1 0 259.393 4.925 10 0 CJAERO C[NH2+][C@@H](C)c1oc2c(cc(C(C)(C)C)cc2C)c1C ZINC000103933178 185864160 /nfs/dbraw/zinc/86/41/60/185864160.db2.gz ADDQTPRCLCJYAR-LBPRGKRZSA-N 1 0 259.393 4.628 10 0 CJAERO CCC[NH2+][C@@H](CCc1ccc(Cl)s1)C(C)(C)C ZINC000103933285 185863950 /nfs/dbraw/zinc/86/39/50/185863950.db2.gz OHJCSBBTDCGGGE-LBPRGKRZSA-N 1 0 273.873 4.748 10 0 CJAERO CCC[NH2+][C@H](CCc1ccc(Cl)s1)C(C)(C)C ZINC000103933288 185864249 /nfs/dbraw/zinc/86/42/49/185864249.db2.gz OHJCSBBTDCGGGE-GFCCVEGCSA-N 1 0 273.873 4.748 10 0 CJAERO CCC[NH2+][C@@H](C[C@H](C)CCC)c1ccc(F)c(F)c1 ZINC000103933885 185864247 /nfs/dbraw/zinc/86/42/47/185864247.db2.gz OLPAKWJGLGAJFO-WBMJQRKESA-N 1 0 269.379 4.832 10 0 CJAERO CCC[NH2+][C@H](C[C@H](C)CCC)c1ccc(F)c(F)c1 ZINC000103933893 185864012 /nfs/dbraw/zinc/86/40/12/185864012.db2.gz OLPAKWJGLGAJFO-MLGOLLRUSA-N 1 0 269.379 4.832 10 0 CJAERO CCC[NH2+][C@H](C[C@@H](C)CCC)c1ccc(F)c(F)c1 ZINC000103933898 185864384 /nfs/dbraw/zinc/86/43/84/185864384.db2.gz OLPAKWJGLGAJFO-BLLLJJGKSA-N 1 0 269.379 4.832 10 0 CJAERO C[NH2+][C@@H](CCC(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC000103933988 185864100 /nfs/dbraw/zinc/86/41/00/185864100.db2.gz GYFFLFODKXMIQY-KRWDZBQOSA-N 1 0 261.453 4.551 10 0 CJAERO CCC[NH2+][C@H](CC1CCCC1)C1CCC(C)CC1 ZINC000103934097 185864390 /nfs/dbraw/zinc/86/43/90/185864390.db2.gz PJZHCURCZSBBJD-BDVYOWHSSA-N 1 0 251.458 4.761 10 0 CJAERO C[NH2+][C@@H](CCC(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000103934114 185864308 /nfs/dbraw/zinc/86/43/08/185864308.db2.gz AKNWEXNNRWYJAF-ZDUSSCGKSA-N 1 0 257.780 4.566 10 0 CJAERO CC[NH2+][C@H](CC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000103934149 185863807 /nfs/dbraw/zinc/86/38/07/185863807.db2.gz WSGIJLNBEYYMOF-OAHLLOKOSA-N 1 0 269.791 4.710 10 0 CJAERO CCC[NH2+][C@@H](C)c1oc2c(cc(C)cc2Cl)c1C ZINC000103934631 185864158 /nfs/dbraw/zinc/86/41/58/185864158.db2.gz XMHVLJBVRZICSO-NSHDSACASA-N 1 0 265.784 4.764 10 0 CJAERO CCC[NH2+][C@H](C)c1sc2ccc(Cl)cc2c1C ZINC000103934642 185864049 /nfs/dbraw/zinc/86/40/49/185864049.db2.gz IKMOYAGHLIUAOJ-SNVBAGLBSA-N 1 0 267.825 4.924 10 0 CJAERO CCC[NH2+][C@H](C)c1sc2cc3c(cc2c1C)CCC3 ZINC000103934649 185863733 /nfs/dbraw/zinc/86/37/33/185863733.db2.gz UDIWLDDVUCXNMT-GFCCVEGCSA-N 1 0 273.445 4.759 10 0 CJAERO CC[NH2+][C@@H](CC)c1ccc(-c2ccc(Cl)cc2C)o1 ZINC000103934653 185864421 /nfs/dbraw/zinc/86/44/21/185864421.db2.gz NKMPMUAHOUEQNA-AWEZNQCLSA-N 1 0 277.795 4.969 10 0 CJAERO CCC[NH2+][C@H](C[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000103935230 185864834 /nfs/dbraw/zinc/86/48/34/185864834.db2.gz ASLRAYDSXWMHIE-SWLSCSKDSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@H](C[C@H](C)CC)c1ccc(Cl)cc1 ZINC000103935234 185864936 /nfs/dbraw/zinc/86/49/36/185864936.db2.gz ASLRAYDSXWMHIE-IUODEOHRSA-N 1 0 253.817 4.817 10 0 CJAERO CCC[NH2+][C@@H](c1ccccc1C(F)(F)F)C(C)(C)C ZINC000103935350 185865140 /nfs/dbraw/zinc/86/51/40/185865140.db2.gz OLQDYHSUNBVTIG-ZDUSSCGKSA-N 1 0 273.342 4.792 10 0 CJAERO CC[NH2+][C@H](CCC(C)C)c1ccccc1C(F)(F)F ZINC000103935370 185864990 /nfs/dbraw/zinc/86/49/90/185864990.db2.gz CWYLVGURHATVGV-CQSZACIVSA-N 1 0 273.342 4.792 10 0 CJAERO CCC[NH2+][C@H](CC)CCc1ccc(Cl)c(Cl)c1 ZINC000103936016 185865233 /nfs/dbraw/zinc/86/52/33/185865233.db2.gz RQLCCUSXHUOQSK-GFCCVEGCSA-N 1 0 274.235 4.704 10 0 CJAERO CCC[NH2+][C@H](CC)CCc1ccc(C(C)(C)C)cc1 ZINC000103936020 185865120 /nfs/dbraw/zinc/86/51/20/185865120.db2.gz JXIDNOILECTICW-QGZVFWFLSA-N 1 0 261.453 4.695 10 0 CJAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1C[C@@H](C)CC ZINC000103936028 185864768 /nfs/dbraw/zinc/86/47/68/185864768.db2.gz YTICUSDCQYTYII-QILLFSRXSA-N 1 0 259.437 4.726 10 0 CJAERO CCC1CCC([NH3+])(Cc2ccc(Cl)cc2Cl)CC1 ZINC000103936263 185864934 /nfs/dbraw/zinc/86/49/34/185864934.db2.gz JFGHIXBMWSSSCU-UHFFFAOYSA-N 1 0 286.246 4.834 10 0 CJAERO CCC[C@@H](C)C[C@@](C)([NH3+])c1ccc2c(c1)CCCC2 ZINC000103936295 185865158 /nfs/dbraw/zinc/86/51/58/185865158.db2.gz JILPGGQJWRHKEK-RDTXWAMCSA-N 1 0 259.437 4.566 10 0 CJAERO CCC[C@H](C)C[C@@](C)([NH3+])c1ccc2c(c1)CCCC2 ZINC000103936297 185865196 /nfs/dbraw/zinc/86/51/96/185865196.db2.gz JILPGGQJWRHKEK-KBXCAEBGSA-N 1 0 259.437 4.566 10 0 CJAERO CCC[NH2+][C@H](CC1CCCCC1)c1ccccc1F ZINC000103936580 185864740 /nfs/dbraw/zinc/86/47/40/185864740.db2.gz TXZJMSCDJHBZBP-QGZVFWFLSA-N 1 0 263.400 4.837 10 0 CJAERO Cc1ccc([C@H]([NH3+])Cc2ccc(Cl)c(Cl)c2)cc1C ZINC000103936650 185864688 /nfs/dbraw/zinc/86/46/88/185864688.db2.gz NMDWDKNDFMOCEW-MRXNPFEDSA-N 1 0 294.225 4.853 10 0 CJAERO CCC1CCC([NH3+])(c2cccc3ccccc32)CC1 ZINC000103937710 185864767 /nfs/dbraw/zinc/86/47/67/185864767.db2.gz CXGRGPRBWHBICL-UHFFFAOYSA-N 1 0 253.389 4.594 10 0 CJAERO CCC[NH2+][C@@H](C[C@@H](C)CC)c1ccc(Br)cc1 ZINC000103937914 185864581 /nfs/dbraw/zinc/86/45/81/185864581.db2.gz CCQIDUQZGDAWFP-WFASDCNBSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@H](C[C@H](C)CC)c1ccc(Br)cc1 ZINC000103937930 185864821 /nfs/dbraw/zinc/86/48/21/185864821.db2.gz CCQIDUQZGDAWFP-IUODEOHRSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[C@H](C)C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC ZINC000103937960 185864903 /nfs/dbraw/zinc/86/49/03/185864903.db2.gz XKXWUHWNDNONJF-BBRMVZONSA-N 1 0 267.844 4.687 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(C(C)C)cc1)C(C)(C)C ZINC000103938038 185865200 /nfs/dbraw/zinc/86/52/00/185865200.db2.gz AAEAANZCFQEKLV-QGZVFWFLSA-N 1 0 261.453 4.767 10 0 CJAERO CC[NH2+][C@@H](CCC(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000103938053 185864911 /nfs/dbraw/zinc/86/49/11/185864911.db2.gz MFZKXKDDXFQLED-ZDUSSCGKSA-N 1 0 288.262 4.950 10 0 CJAERO CC[NH2+][C@H](CCC(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000103938055 185864748 /nfs/dbraw/zinc/86/47/48/185864748.db2.gz MFZKXKDDXFQLED-CYBMUJFWSA-N 1 0 288.262 4.950 10 0 CJAERO CCCOc1ccc([C@H](CCC(C)C)[NH2+]CC)cc1 ZINC000103938072 185864636 /nfs/dbraw/zinc/86/46/36/185864636.db2.gz QIDPEEWXSCGPRW-KRWDZBQOSA-N 1 0 263.425 4.562 10 0 CJAERO C[NH2+][C@H](Cc1cccc(C)c1)c1cc(Cl)ccc1Cl ZINC000103938080 185864862 /nfs/dbraw/zinc/86/48/62/185864862.db2.gz XWBGHMPMAUKDGY-MRXNPFEDSA-N 1 0 294.225 4.805 10 0 CJAERO CCCC[C@H](CC)C[C@H]([NH3+])c1ccccc1Cl ZINC000103938198 185865090 /nfs/dbraw/zinc/86/50/90/185865090.db2.gz RYNDMNMMSMFUKT-WFASDCNBSA-N 1 0 253.817 4.946 10 0 CJAERO CCCC[C@@H](CC)C[C@@H]([NH3+])c1ccccc1Cl ZINC000103938202 185864849 /nfs/dbraw/zinc/86/48/49/185864849.db2.gz RYNDMNMMSMFUKT-IUODEOHRSA-N 1 0 253.817 4.946 10 0 CJAERO C[NH2+][C@H]1CCCCC[C@H]1Cc1c(Cl)cccc1Cl ZINC000103938895 185864746 /nfs/dbraw/zinc/86/47/46/185864746.db2.gz QMVARKPQEZQHSH-NHYWBVRUSA-N 1 0 286.246 4.704 10 0 CJAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccsc1 ZINC000103939003 185864615 /nfs/dbraw/zinc/86/46/15/185864615.db2.gz WTUPOFLZIYUVSA-IKGGRYGDSA-N 1 0 279.493 4.731 10 0 CJAERO CCCCCC[C@@](C)([NH2+]C)c1nc(C(C)(C)C)cs1 ZINC000103939223 185865136 /nfs/dbraw/zinc/86/51/36/185865136.db2.gz RTGWBDNMTROTEV-MRXNPFEDSA-N 1 0 282.497 4.846 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)(C)C)Cc1cccc(C)c1 ZINC000103939574 185864982 /nfs/dbraw/zinc/86/49/82/185864982.db2.gz RKZLYKXNZAROOV-KRWDZBQOSA-N 1 0 261.453 4.732 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1CCC[C@H](C)C1 ZINC000103939596 185864568 /nfs/dbraw/zinc/86/45/68/185864568.db2.gz LAVPKYXQYULGOC-SGMGOOAPSA-N 1 0 285.884 4.748 10 0 CJAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000103940191 185864999 /nfs/dbraw/zinc/86/49/99/185864999.db2.gz JOYWWGNZMNFJPS-MLGOLLRUSA-N 1 0 283.818 4.580 10 0 CJAERO CC[NH2+][C@@H]1CCCCC[C@H]1Cc1c(F)cccc1Cl ZINC000103940194 185865072 /nfs/dbraw/zinc/86/50/72/185865072.db2.gz JOYWWGNZMNFJPS-BLLLJJGKSA-N 1 0 283.818 4.580 10 0 CJAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cccs1 ZINC000103940243 185865888 /nfs/dbraw/zinc/86/58/88/185865888.db2.gz WMJJXVNMKQJSGL-UXLLHSPISA-N 1 0 279.493 4.731 10 0 CJAERO CCCCCC[C@H]([NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000103940637 185865636 /nfs/dbraw/zinc/86/56/36/185865636.db2.gz FVVCQSSHJJMFJF-AWEZNQCLSA-N 1 0 273.342 4.936 10 0 CJAERO C[NH2+][C@@H](CC1CCCCC1)c1cccc(Br)c1 ZINC000103940704 185865866 /nfs/dbraw/zinc/86/58/66/185865866.db2.gz MJAKZQVFNBGPTA-HNNXBMFYSA-N 1 0 296.252 4.680 10 0 CJAERO C[NH2+][C@H](CC1CCCCC1)c1cccc(Br)c1 ZINC000103940705 185865424 /nfs/dbraw/zinc/86/54/24/185865424.db2.gz MJAKZQVFNBGPTA-OAHLLOKOSA-N 1 0 296.252 4.680 10 0 CJAERO CCCCCC[C@H]([NH2+]CC)c1ccc(F)c(C)c1 ZINC000103940746 185865646 /nfs/dbraw/zinc/86/56/46/185865646.db2.gz GYGPBZVZCNWBMT-INIZCTEOSA-N 1 0 251.389 4.755 10 0 CJAERO CCC[NH2+][C@H](C[C@H](C)CC)c1cc(F)ccc1C ZINC000103940837 185865630 /nfs/dbraw/zinc/86/56/30/185865630.db2.gz KYJKVHRUQYQCFQ-MLGOLLRUSA-N 1 0 251.389 4.611 10 0 CJAERO CCC[NH2+][C@H](Cc1cccs1)c1ccc(C)cc1C ZINC000103940851 185865899 /nfs/dbraw/zinc/86/58/99/185865899.db2.gz BUACWYUSAFHSJM-QGZVFWFLSA-N 1 0 273.445 4.648 10 0 CJAERO CC[NH2+][C@@H](C)[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000103941673 185865995 /nfs/dbraw/zinc/86/59/95/185865995.db2.gz AOLUIXZKKYKJBX-SMDDNHRTSA-N 1 0 288.262 4.806 10 0 CJAERO CCC[NH2+]C(CCC)(CCC)c1nc(CC)c(C)s1 ZINC000103941782 185865844 /nfs/dbraw/zinc/86/58/44/185865844.db2.gz PYTSGXQSORKKQO-UHFFFAOYSA-N 1 0 282.497 4.809 10 0 CJAERO CCC[C@@H](C)C[C@H]([NH2+]CC)c1ccc(C)c(F)c1 ZINC000103942087 185865738 /nfs/dbraw/zinc/86/57/38/185865738.db2.gz HYLNOZQQYNTZOS-WBMJQRKESA-N 1 0 251.389 4.611 10 0 CJAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1ccc(C)c(F)c1 ZINC000103942093 185865622 /nfs/dbraw/zinc/86/56/22/185865622.db2.gz HYLNOZQQYNTZOS-MLGOLLRUSA-N 1 0 251.389 4.611 10 0 CJAERO CCC[C@@H](C)C[C@H]([NH2+]C)c1cccc2ccccc21 ZINC000103942253 185865524 /nfs/dbraw/zinc/86/55/24/185865524.db2.gz GIYBARXSJKZMJA-KDOFPFPSSA-N 1 0 255.405 4.927 10 0 CJAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000103942806 185865527 /nfs/dbraw/zinc/86/55/27/185865527.db2.gz FGASNBJEOCXOGJ-JQWIXIFHSA-N 1 0 274.235 4.560 10 0 CJAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(C(C)C)cc1 ZINC000103942812 185866053 /nfs/dbraw/zinc/86/60/53/185866053.db2.gz CMKCDPRAHQNXSR-RDJZCZTQSA-N 1 0 261.453 4.767 10 0 CJAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(C(C)C)cc1 ZINC000103942816 185866080 /nfs/dbraw/zinc/86/60/80/185866080.db2.gz CMKCDPRAHQNXSR-DOTOQJQBSA-N 1 0 261.453 4.767 10 0 CJAERO Cc1cc(C)cc(C2([NH3+])CCC(C(C)(C)C)CC2)c1 ZINC000103943090 185865538 /nfs/dbraw/zinc/86/55/38/185865538.db2.gz KEDUTRMQUGXDRQ-UHFFFAOYSA-N 1 0 259.437 4.694 10 0 CJAERO CCC[C@H](C)C[C@H]([NH2+]CC)c1cccc(Br)c1 ZINC000103943345 185865901 /nfs/dbraw/zinc/86/59/01/185865901.db2.gz XBLNEYJPEOZCBM-WFASDCNBSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1cccc(Br)c1 ZINC000103943349 185865840 /nfs/dbraw/zinc/86/58/40/185865840.db2.gz XBLNEYJPEOZCBM-IUODEOHRSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[C@H](C)C[C@@H]([NH2+]CC)c1cccc(Br)c1 ZINC000103943351 185865377 /nfs/dbraw/zinc/86/53/77/185865377.db2.gz XBLNEYJPEOZCBM-SWLSCSKDSA-N 1 0 298.268 4.926 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)Cc1ccccc1Cl ZINC000103943436 185865761 /nfs/dbraw/zinc/86/57/61/185865761.db2.gz CQOHBMMTZRJXQQ-HNNXBMFYSA-N 1 0 267.844 4.687 10 0 CJAERO [NH3+][C@@H](c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000103943514 185865614 /nfs/dbraw/zinc/86/56/14/185865614.db2.gz SMPVMRPMYZTIMM-JPVQUXCTSA-N 1 0 275.823 4.556 10 0 CJAERO C[NH2+][C@@H](CCC(C)(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000103943555 185865770 /nfs/dbraw/zinc/86/57/70/185865770.db2.gz FATNGZZHDWOJLZ-KUNBBXKYSA-N 1 0 263.469 4.617 10 0 CJAERO CC[NH2+][C@@H](C[C@H](C)CC)C12CC3CC(CC(C3)C1)C2 ZINC000103943566 185866000 /nfs/dbraw/zinc/86/60/00/185866000.db2.gz NMFDORGQGGCEQI-JRHYKELJSA-N 1 0 263.469 4.617 10 0 CJAERO CC[NH2+][C@@H](C[C@@H](C)CC)C12CC3CC(CC(C3)C1)C2 ZINC000103943568 185865414 /nfs/dbraw/zinc/86/54/14/185865414.db2.gz NMFDORGQGGCEQI-OKUQKKEKSA-N 1 0 263.469 4.617 10 0 CJAERO CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(F)c2)s1 ZINC000103944062 185865604 /nfs/dbraw/zinc/86/56/04/185865604.db2.gz OCFFRNQOGYZYDR-UHFFFAOYSA-N 1 0 283.799 4.707 10 0 CJAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccc(Cl)c1 ZINC000103944175 185865949 /nfs/dbraw/zinc/86/59/49/185865949.db2.gz GTPYUGYQQOXBBJ-NVXWUHKLSA-N 1 0 279.855 4.831 10 0 CJAERO CCC[NH2+][C@H]1CCCCC[C@@H]1Cc1cccc(Cl)c1 ZINC000103944179 185865610 /nfs/dbraw/zinc/86/56/10/185865610.db2.gz GTPYUGYQQOXBBJ-WBVHZDCISA-N 1 0 279.855 4.831 10 0 CJAERO CCC[NH2+][C@@H]1CCCCC[C@H]1Cc1cccc(Cl)c1 ZINC000103944183 185865827 /nfs/dbraw/zinc/86/58/27/185865827.db2.gz GTPYUGYQQOXBBJ-DOTOQJQBSA-N 1 0 279.855 4.831 10 0 CJAERO CCC[NH2+][C@H]1CCCCC[C@H]1Cc1cccc(Cl)c1 ZINC000103944186 185865741 /nfs/dbraw/zinc/86/57/41/185865741.db2.gz GTPYUGYQQOXBBJ-RDJZCZTQSA-N 1 0 279.855 4.831 10 0 CJAERO CCC[NH2+][C@@H](C)[C@@H](Cc1ccc(C)c(C)c1)C(C)C ZINC000103944270 185866093 /nfs/dbraw/zinc/86/60/93/185866093.db2.gz CSDHECSUNQLVRU-WMZOPIPTSA-N 1 0 261.453 4.506 10 0 CJAERO CCC[NH2+][C@@H](C)[C@H](Cc1ccc(C)c(C)c1)C(C)C ZINC000103944277 185865985 /nfs/dbraw/zinc/86/59/85/185865985.db2.gz CSDHECSUNQLVRU-FUHWJXTLSA-N 1 0 261.453 4.506 10 0 CJAERO CCC[NH2+][C@H](C)[C@H](Cc1ccc(C)c(C)c1)C(C)C ZINC000103944280 185865700 /nfs/dbraw/zinc/86/57/00/185865700.db2.gz CSDHECSUNQLVRU-SJLPKXTDSA-N 1 0 261.453 4.506 10 0 CJAERO CCC[NH2+][C@@H](C[C@@H](C)CCC)c1ccccc1OC ZINC000103944648 185865463 /nfs/dbraw/zinc/86/54/63/185865463.db2.gz WNJLYAJJRMIVQZ-HOCLYGCPSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](Cc1c(F)cccc1Cl)C1CCCC1 ZINC000103944779 185865355 /nfs/dbraw/zinc/86/53/55/185865355.db2.gz STMCGOUHUNAZLW-INIZCTEOSA-N 1 0 283.818 4.580 10 0 CJAERO Cc1ccc(C[C@H]([NH3+])c2ccc(Cl)c(Cl)c2)cc1C ZINC000103944998 185865609 /nfs/dbraw/zinc/86/56/09/185865609.db2.gz QNHOJWMZAPHEMA-INIZCTEOSA-N 1 0 294.225 4.853 10 0 CJAERO Cc1ccc(C[C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)cc1C ZINC000103945002 185865379 /nfs/dbraw/zinc/86/53/79/185865379.db2.gz QNHOJWMZAPHEMA-MRXNPFEDSA-N 1 0 294.225 4.853 10 0 CJAERO CCC[NH2+][C@@H](C)[C@@H](Cc1ccc(Cl)cc1)C(C)C ZINC000103945770 185866414 /nfs/dbraw/zinc/86/64/14/185866414.db2.gz ROQKVRWAKYEKQD-BBRMVZONSA-N 1 0 267.844 4.543 10 0 CJAERO CCC[NH2+][C@H](C)[C@@H](Cc1ccc(Cl)cc1)C(C)C ZINC000103945772 185866824 /nfs/dbraw/zinc/86/68/24/185866824.db2.gz ROQKVRWAKYEKQD-CJNGLKHVSA-N 1 0 267.844 4.543 10 0 CJAERO CCC[NH2+][C@@H](C)[C@H](Cc1ccc(Cl)cc1)C(C)C ZINC000103945777 185866814 /nfs/dbraw/zinc/86/68/14/185866814.db2.gz ROQKVRWAKYEKQD-XJKSGUPXSA-N 1 0 267.844 4.543 10 0 CJAERO CCC[NH2+][C@H](C)[C@@H](Cc1ccc(F)cc1Cl)C(C)C ZINC000103945787 185866735 /nfs/dbraw/zinc/86/67/35/185866735.db2.gz VTLVGFSSSUTNCC-DOMZBBRYSA-N 1 0 285.834 4.682 10 0 CJAERO CCC[NH2+][C@H](C)[C@H](Cc1ccc(F)cc1Cl)C(C)C ZINC000103945793 185866869 /nfs/dbraw/zinc/86/68/69/185866869.db2.gz VTLVGFSSSUTNCC-IUODEOHRSA-N 1 0 285.834 4.682 10 0 CJAERO CCC[NH2+][C@H](C[C@@H](C)CCC)c1cccc(OC)c1 ZINC000103946364 185866320 /nfs/dbraw/zinc/86/63/20/185866320.db2.gz LMGDXKSSGLJBPP-WMLDXEAASA-N 1 0 263.425 4.562 10 0 CJAERO CC[NH2+][C@H](c1ccccc1Cl)C1CCCCC1 ZINC000103946456 185866955 /nfs/dbraw/zinc/86/69/55/185866955.db2.gz CIIICGZBRVEHPZ-HNNXBMFYSA-N 1 0 251.801 4.571 10 0 CJAERO CCCCCC[C@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000103946580 185866728 /nfs/dbraw/zinc/86/67/28/185866728.db2.gz DEKHZUPYGWTSOY-NSHDSACASA-N 1 0 274.235 4.834 10 0 CJAERO CCCCC[C@@H]([NH2+]CC)c1ccc(F)cc1Cl ZINC000103946691 185866924 /nfs/dbraw/zinc/86/69/24/185866924.db2.gz DXNNIISSVGTKPT-CQSZACIVSA-N 1 0 257.780 4.710 10 0 CJAERO CCCCC[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCC ZINC000103946782 185866461 /nfs/dbraw/zinc/86/64/61/185866461.db2.gz CSRXYAAZJPLTNE-ZDUSSCGKSA-N 1 0 285.834 4.970 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000103947328 185866496 /nfs/dbraw/zinc/86/64/96/185866496.db2.gz SPLDOPQMTGNIQM-LBPRGKRZSA-N 1 0 277.795 4.969 10 0 CJAERO CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(C(C)C)cc1 ZINC000103947402 185866545 /nfs/dbraw/zinc/86/65/45/185866545.db2.gz XUNUIHQWDKOEQZ-QZTJIDSGSA-N 1 0 259.437 4.521 10 0 CJAERO Cc1ccc(F)c([C@]2([NH3+])CCCC[C@@H]2C(C)(C)C)c1 ZINC000103947944 185866743 /nfs/dbraw/zinc/86/67/43/185866743.db2.gz HNVIVASXUIFCCX-NVXWUHKLSA-N 1 0 263.400 4.524 10 0 CJAERO CCC[C@H](C)C[C@H]([NH2+]CC)c1cccc(OCC)c1 ZINC000103948184 185866354 /nfs/dbraw/zinc/86/63/54/185866354.db2.gz QMNDKZVEVHFTCG-YOEHRIQHSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[C@@H](C)C[C@@H]([NH2+]CC)c1cccc(OCC)c1 ZINC000103948187 185866231 /nfs/dbraw/zinc/86/62/31/185866231.db2.gz QMNDKZVEVHFTCG-RHSMWYFYSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[C@H](C)C[C@@H]([NH2+]CC)c1cccc(OCC)c1 ZINC000103948194 185866901 /nfs/dbraw/zinc/86/69/01/185866901.db2.gz QMNDKZVEVHFTCG-WMLDXEAASA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](C[C@H](C)CC)c1cccc(OCC)c1 ZINC000103948212 185866636 /nfs/dbraw/zinc/86/66/36/185866636.db2.gz RNMPSAMTXAHADN-PBHICJAKSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](C[C@H](C)CC)c1cccc(OCC)c1 ZINC000103948218 185866596 /nfs/dbraw/zinc/86/65/96/185866596.db2.gz RNMPSAMTXAHADN-RHSMWYFYSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)Cc1cccc(Cl)c1 ZINC000103948274 185866708 /nfs/dbraw/zinc/86/67/08/185866708.db2.gz NQYXEXBGDCUKQG-MRXNPFEDSA-N 1 0 267.844 4.687 10 0 CJAERO CCCC[C@@H](CC)C[C@@H](C[C@@H]1CCCO1)[NH2+]CCC ZINC000103948313 185866199 /nfs/dbraw/zinc/86/61/99/185866199.db2.gz SZYCCZXLORHWLR-IKGGRYGDSA-N 1 0 269.473 4.530 10 0 CJAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)C1CCCCC1 ZINC000103948368 185866341 /nfs/dbraw/zinc/86/63/41/185866341.db2.gz YFLLZMKKFWGFQI-INIZCTEOSA-N 1 0 267.363 4.586 10 0 CJAERO CCC[C@H](C)C[C@H]([NH2+]C)C1(c2ccccc2)CCC1 ZINC000103948573 185866948 /nfs/dbraw/zinc/86/69/48/185866948.db2.gz SVGNDAMEQNWXOS-RDJZCZTQSA-N 1 0 259.437 4.523 10 0 CJAERO CC[C@H](C)C[C@@H]([NH2+]C)C1(c2ccccc2)CCCC1 ZINC000103948614 185866798 /nfs/dbraw/zinc/86/67/98/185866798.db2.gz YZZMKQCRRYGUNQ-DOTOQJQBSA-N 1 0 259.437 4.523 10 0 CJAERO CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(C(C)C)cc1 ZINC000103949198 185866263 /nfs/dbraw/zinc/86/62/63/185866263.db2.gz ZJRLQTKPCFAFRC-MSOLQXFVSA-N 1 0 259.437 4.521 10 0 CJAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(C(C)C)cc1 ZINC000103949202 185866486 /nfs/dbraw/zinc/86/64/86/185866486.db2.gz ZJRLQTKPCFAFRC-ZWKOTPCHSA-N 1 0 259.437 4.521 10 0 CJAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(Cc2ccc(F)cc2Cl)C1 ZINC000103949534 185866919 /nfs/dbraw/zinc/86/69/19/185866919.db2.gz KMTJVRMSPKMBSZ-ZBEGNZNMSA-N 1 0 283.818 4.565 10 0 CJAERO CCC[NH2+][C@H](c1cc(C)ccc1F)C1CCCCC1 ZINC000103949867 185866215 /nfs/dbraw/zinc/86/62/15/185866215.db2.gz MLVMMJDBHOKQHC-KRWDZBQOSA-N 1 0 263.400 4.755 10 0 CJAERO CCC[NH2+][C@H](Cc1cccc(F)c1)C[C@H](C)CCC ZINC000103949894 185866871 /nfs/dbraw/zinc/86/68/71/185866871.db2.gz LFGDHMGEPYXBTI-PBHICJAKSA-N 1 0 265.416 4.563 10 0 CJAERO CCC[NH2+][C@H](Cc1cccc(F)c1)C[C@@H](C)CCC ZINC000103949897 185866944 /nfs/dbraw/zinc/86/69/44/185866944.db2.gz LFGDHMGEPYXBTI-YOEHRIQHSA-N 1 0 265.416 4.563 10 0 CJAERO CCCCCC[C@@H](Cc1cccc(F)c1)[NH2+]CCC ZINC000103949909 185866847 /nfs/dbraw/zinc/86/68/47/185866847.db2.gz ZSZQSVLHRAZOEN-KRWDZBQOSA-N 1 0 265.416 4.707 10 0 CJAERO CC[NH2+][C@@H](Cc1c(Cl)cccc1Cl)C[C@@H](C)CC ZINC000103949975 185866454 /nfs/dbraw/zinc/86/64/54/185866454.db2.gz MAAGXLUGJNVLCA-NWDGAFQWSA-N 1 0 288.262 4.950 10 0 CJAERO CC1CCC([C@H]([NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC000103950012 185866857 /nfs/dbraw/zinc/86/68/57/185866857.db2.gz XOORXGMIZQFQJR-QKFMDRJYSA-N 1 0 286.246 4.690 10 0 CJAERO CCC(CC)(c1ccccc1)[C@H]([NH2+]C)C1CCCC1 ZINC000103950048 185866339 /nfs/dbraw/zinc/86/63/39/185866339.db2.gz MCJILKCKEBJRSW-QGZVFWFLSA-N 1 0 259.437 4.523 10 0 CJAERO CCC(CC)(c1ccccc1)[C@@H]([NH2+]C)C1CCCC1 ZINC000103950051 185866283 /nfs/dbraw/zinc/86/62/83/185866283.db2.gz MCJILKCKEBJRSW-KRWDZBQOSA-N 1 0 259.437 4.523 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000103950742 185867204 /nfs/dbraw/zinc/86/72/04/185867204.db2.gz ZQIGPQZMSKSIEP-CQSZACIVSA-N 1 0 257.377 4.624 10 0 CJAERO CCC[NH2+][C@H](CCC)CCc1ccccc1Br ZINC000103950804 185867304 /nfs/dbraw/zinc/86/73/04/185867304.db2.gz NYLILVJUQCXFOP-CQSZACIVSA-N 1 0 298.268 4.550 10 0 CJAERO C[NH2+][C@H](CCc1ccc(Cl)cc1Cl)C(C)(C)C ZINC000103950810 185867323 /nfs/dbraw/zinc/86/73/23/185867323.db2.gz IHVDFHUPIZZDFM-CYBMUJFWSA-N 1 0 274.235 4.560 10 0 CJAERO C[NH2+][C@@H](CCc1ccc(Cl)cc1Cl)C(C)(C)C ZINC000103950813 185867479 /nfs/dbraw/zinc/86/74/79/185867479.db2.gz IHVDFHUPIZZDFM-ZDUSSCGKSA-N 1 0 274.235 4.560 10 0 CJAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1c(Cl)cccc1Cl ZINC000103950830 185867466 /nfs/dbraw/zinc/86/74/66/185867466.db2.gz SJQGPLMPVOQMPN-XHDPSFHLSA-N 1 0 286.246 4.704 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2cccc(Cl)c2Cl)C1 ZINC000103951246 185867599 /nfs/dbraw/zinc/86/75/99/185867599.db2.gz SLJSRUBCZQBZKG-MEBBXXQBSA-N 1 0 286.246 4.994 10 0 CJAERO CC[C@@]([NH3+])(Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000103951302 185867815 /nfs/dbraw/zinc/86/78/15/185867815.db2.gz JXMIFEDLBVOPHT-MRXNPFEDSA-N 1 0 294.225 4.800 10 0 CJAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2cccc(Cl)c2Cl)C1 ZINC000103951683 185867893 /nfs/dbraw/zinc/86/78/93/185867893.db2.gz FMRQLPQPGLCKPD-RULNRJAQSA-N 1 0 272.219 4.820 10 0 CJAERO CCCC[C@H]([NH2+]CCC)[C@@H]1CCCc2ccccc21 ZINC000103951918 185867527 /nfs/dbraw/zinc/86/75/27/185867527.db2.gz BTNJHKGJZOKCBU-MSOLQXFVSA-N 1 0 259.437 4.665 10 0 CJAERO CCCC[C@H]([NH2+]CCC)[C@H]1CCCc2ccccc21 ZINC000103951926 185867701 /nfs/dbraw/zinc/86/77/01/185867701.db2.gz BTNJHKGJZOKCBU-ROUUACIJSA-N 1 0 259.437 4.665 10 0 CJAERO CC[NH2+][C@@H](CCc1ccc(C(C)C)cc1)C(C)(C)C ZINC000103952507 185867624 /nfs/dbraw/zinc/86/76/24/185867624.db2.gz WWMOGPSMSHNRTM-KRWDZBQOSA-N 1 0 261.453 4.767 10 0 CJAERO CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000103952548 185867537 /nfs/dbraw/zinc/86/75/37/185867537.db2.gz XKIRDRBSTRUKML-MLGOLLRUSA-N 1 0 283.818 4.580 10 0 CJAERO CCC[NH2+][C@H]1CCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000103952552 185867288 /nfs/dbraw/zinc/86/72/88/185867288.db2.gz XKIRDRBSTRUKML-WBMJQRKESA-N 1 0 283.818 4.580 10 0 CJAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Cc1cccc(Cl)c1 ZINC000103952619 185867830 /nfs/dbraw/zinc/86/78/30/185867830.db2.gz PYPYHCBITSEUNL-YSVLISHTSA-N 1 0 279.855 4.687 10 0 CJAERO CCCCCCO[C@@H](C[NH2+]CC)c1ccc(Cl)cc1 ZINC000103967650 185870351 /nfs/dbraw/zinc/87/03/51/185870351.db2.gz MXKKNGZXECCVSS-INIZCTEOSA-N 1 0 283.843 4.588 10 0 CJAERO CCC1CCC(C[NH2+]Cc2cccc(C)c2C)CC1 ZINC000103968037 185870140 /nfs/dbraw/zinc/87/01/40/185870140.db2.gz RSWLFDSXCRFKTH-UHFFFAOYSA-N 1 0 259.437 4.609 10 0 CJAERO CC[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1cccs1 ZINC000103968203 185869951 /nfs/dbraw/zinc/86/99/51/185869951.db2.gz GZBCXQGIIPYSNZ-MELADBBJSA-N 1 0 251.439 4.615 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000103968304 185871422 /nfs/dbraw/zinc/87/14/22/185871422.db2.gz ZGFFJHOJXOOWHL-IAQYHMDHSA-N 1 0 296.252 4.605 10 0 CJAERO CCCC[C@@H](C)[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000103968312 185871350 /nfs/dbraw/zinc/87/13/50/185871350.db2.gz ZGFFJHOJXOOWHL-ABAIWWIYSA-N 1 0 296.252 4.605 10 0 CJAERO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000103968338 185870688 /nfs/dbraw/zinc/87/06/88/185870688.db2.gz VBZUFWHGNKNDAU-LLVKDONJSA-N 1 0 269.791 4.538 10 0 CJAERO CCCCC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000103968343 185870671 /nfs/dbraw/zinc/87/06/71/185870671.db2.gz GIJZOZMPEUHZBO-LLVKDONJSA-N 1 0 257.780 4.538 10 0 CJAERO CC1CCC(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000103968407 185870915 /nfs/dbraw/zinc/87/09/15/185870915.db2.gz FCNKMGNZXNURHB-UHFFFAOYSA-N 1 0 273.445 4.817 10 0 CJAERO CCC1CCC(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000103969791 185871235 /nfs/dbraw/zinc/87/12/35/185871235.db2.gz ZAVIHDZOGAMDOZ-XUJLQICISA-N 1 0 277.477 4.932 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000103969939 185871256 /nfs/dbraw/zinc/87/12/56/185871256.db2.gz QATMUQQMIGCISE-BHYGNILZSA-N 1 0 259.437 4.780 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000103970013 185870937 /nfs/dbraw/zinc/87/09/37/185870937.db2.gz PXHOUOZRKAZAAC-SJORKVTESA-N 1 0 257.421 4.619 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000103970025 185871576 /nfs/dbraw/zinc/87/15/76/185871576.db2.gz PXHOUOZRKAZAAC-DLBZAZTESA-N 1 0 257.421 4.619 10 0 CJAERO CC(C)C[C@H](C)OC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000103971108 185870763 /nfs/dbraw/zinc/87/07/63/185870763.db2.gz BGZFZVWZTXSEGF-HNNXBMFYSA-N 1 0 269.473 4.529 10 0 CJAERO CC(C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000103971487 185870804 /nfs/dbraw/zinc/87/08/04/185870804.db2.gz PXUJGOYMJSQSPR-MSOLQXFVSA-N 1 0 259.437 4.739 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)C(C)C ZINC000103971554 185871271 /nfs/dbraw/zinc/87/12/71/185871271.db2.gz KCLSFZBGTMQJCJ-MRXNPFEDSA-N 1 0 273.445 4.939 10 0 CJAERO CCCC1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000103971584 185872515 /nfs/dbraw/zinc/87/25/15/185872515.db2.gz XLLDSLMKZXVSBB-JEYLPNPQSA-N 1 0 263.425 4.906 10 0 CJAERO CCCC1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000103971588 185871810 /nfs/dbraw/zinc/87/18/10/185871810.db2.gz XLLDSLMKZXVSBB-IUDNXUCKSA-N 1 0 263.425 4.906 10 0 CJAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000103971619 185871729 /nfs/dbraw/zinc/87/17/29/185871729.db2.gz HJAHCLUHSFTPHF-VNHYZAJKSA-N 1 0 265.828 4.817 10 0 CJAERO CCCCCCO[C@@H](c1ccccc1Cl)[C@H]([NH3+])CC ZINC000103971998 185872464 /nfs/dbraw/zinc/87/24/64/185872464.db2.gz MZYBXFVOXICVTC-CVEARBPZSA-N 1 0 283.843 4.715 10 0 CJAERO CCCCCCO[C@@H](c1ccccc1Cl)[C@@H]([NH3+])CC ZINC000103972007 185872295 /nfs/dbraw/zinc/87/22/95/185872295.db2.gz MZYBXFVOXICVTC-HOTGVXAUSA-N 1 0 283.843 4.715 10 0 CJAERO CCCCCCO[C@H](c1ccccc1Cl)[C@@H]([NH3+])CC ZINC000103972009 185872349 /nfs/dbraw/zinc/87/23/49/185872349.db2.gz MZYBXFVOXICVTC-JKSUJKDBSA-N 1 0 283.843 4.715 10 0 CJAERO CCCCCOC1(C[NH2+]CCC)CCC(CC)CC1 ZINC000103972486 185872564 /nfs/dbraw/zinc/87/25/64/185872564.db2.gz HHNZNYJHOVQURA-UHFFFAOYSA-N 1 0 269.473 4.532 10 0 CJAERO CCCCCO[C@@H]1C[C@H](CCC)CC[C@@H]1[NH2+]CCC ZINC000103972525 185872191 /nfs/dbraw/zinc/87/21/91/185872191.db2.gz BPHFJKAUCWNTKC-IXDOHACOSA-N 1 0 269.473 4.530 10 0 CJAERO CCCCCO[C@H]1C[C@@H](CCC)CC[C@@H]1[NH2+]CCC ZINC000103972533 185871833 /nfs/dbraw/zinc/87/18/33/185871833.db2.gz BPHFJKAUCWNTKC-ULQDDVLXSA-N 1 0 269.473 4.530 10 0 CJAERO CCCCCC[C@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000103972708 185872066 /nfs/dbraw/zinc/87/20/66/185872066.db2.gz DZJUFEZSQCAWRN-ZDUSSCGKSA-N 1 0 253.455 4.759 10 0 CJAERO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000103973091 185871907 /nfs/dbraw/zinc/87/19/07/185871907.db2.gz FTRNZAGZGCZPKP-YOEHRIQHSA-N 1 0 259.437 4.528 10 0 CJAERO Cc1cc(C)c(C[NH2+]C[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000103973094 185871814 /nfs/dbraw/zinc/87/18/14/185871814.db2.gz FTRNZAGZGCZPKP-WMLDXEAASA-N 1 0 259.437 4.528 10 0 CJAERO CCCCCC(CCCCC)[NH2+][C@H]1CCC[C@H]1OC ZINC000103973166 185872080 /nfs/dbraw/zinc/87/20/80/185872080.db2.gz MIRICDGUBXVRTB-DLBZAZTESA-N 1 0 269.473 4.673 10 0 CJAERO C[C@H]([NH2+]Cc1csc2ccccc12)C1CCCCC1 ZINC000103973215 185872494 /nfs/dbraw/zinc/87/24/94/185872494.db2.gz SHVSKOIFRIRAQV-ZDUSSCGKSA-N 1 0 273.445 4.960 10 0 CJAERO CCCCCC[C@@H](C)O[C@@H](CC)[C@@H](CCC)[NH2+]C ZINC000103974288 185871787 /nfs/dbraw/zinc/87/17/87/185871787.db2.gz DPZKUCOELXBWNI-OAGGEKHMSA-N 1 0 257.462 4.529 10 0 CJAERO CCCCCC[C@H](C)O[C@@H](CC)[C@@H](CCC)[NH2+]C ZINC000103974292 185871918 /nfs/dbraw/zinc/87/19/18/185871918.db2.gz DPZKUCOELXBWNI-XHSDSOJGSA-N 1 0 257.462 4.529 10 0 CJAERO CCCCCC[C@H](C)O[C@H](CC)[C@@H](CCC)[NH2+]C ZINC000103974298 185872535 /nfs/dbraw/zinc/87/25/35/185872535.db2.gz DPZKUCOELXBWNI-ARFHVFGLSA-N 1 0 257.462 4.529 10 0 CJAERO CCCc1ccc2[nH+]c(C)c(C(C)C)c(NC)c2c1 ZINC000103974363 185872588 /nfs/dbraw/zinc/87/25/88/185872588.db2.gz CSZNTMKZTOHQRP-UHFFFAOYSA-N 1 0 256.393 4.661 10 0 CJAERO Fc1cc(C[NH2+]CCC2CCCCC2)ccc1Cl ZINC000103974490 185871872 /nfs/dbraw/zinc/87/18/72/185871872.db2.gz KBPVGUNZEHKHQR-UHFFFAOYSA-N 1 0 269.791 4.539 10 0 CJAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000103974775 185872963 /nfs/dbraw/zinc/87/29/63/185872963.db2.gz WQDRYXDADRTTAM-VXGBXAGGSA-N 1 0 286.246 4.909 10 0 CJAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000103974791 185873054 /nfs/dbraw/zinc/87/30/54/185873054.db2.gz CYIXIDBZYVAZKB-VNHYZAJKSA-N 1 0 265.828 4.817 10 0 CJAERO CCC[C@@H](CC)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000103974847 185873201 /nfs/dbraw/zinc/87/32/01/185873201.db2.gz OYRZDLFPGIZUCU-KURKYZTESA-N 1 0 259.437 4.881 10 0 CJAERO CCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000103974853 185873513 /nfs/dbraw/zinc/87/35/13/185873513.db2.gz OYRZDLFPGIZUCU-KSZLIROESA-N 1 0 259.437 4.881 10 0 CJAERO CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000103974945 185873025 /nfs/dbraw/zinc/87/30/25/185873025.db2.gz HCFZNFGTCFCLQG-DJIMGWMZSA-N 1 0 251.458 4.761 10 0 CJAERO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000103974948 185873430 /nfs/dbraw/zinc/87/34/30/185873430.db2.gz HCFZNFGTCFCLQG-USXIJHARSA-N 1 0 251.458 4.761 10 0 CJAERO CC[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000103974951 185873516 /nfs/dbraw/zinc/87/35/16/185873516.db2.gz HCFZNFGTCFCLQG-OIISXLGYSA-N 1 0 251.458 4.761 10 0 CJAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCCc2sccc21 ZINC000103974977 185873010 /nfs/dbraw/zinc/87/30/10/185873010.db2.gz JDJHKEVYABHETO-VNHYZAJKSA-N 1 0 265.466 4.930 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1ccsc1 ZINC000103974985 185873100 /nfs/dbraw/zinc/87/31/00/185873100.db2.gz PXQVCLQAMYHEBV-DYEKYZERSA-N 1 0 251.439 4.614 10 0 CJAERO Cc1cc([C@@H](C)[NH2+]CC2CCC(C)CC2)c(C)s1 ZINC000103975032 185873132 /nfs/dbraw/zinc/87/31/32/185873132.db2.gz FKLFACPOVCVZAD-GLWUULTISA-N 1 0 265.466 4.842 10 0 CJAERO CCCCCO[C@@H](C[NH2+]CCC)c1ccccc1Cl ZINC000103976010 185873006 /nfs/dbraw/zinc/87/30/06/185873006.db2.gz JJHMNZRLWDSWTH-INIZCTEOSA-N 1 0 283.843 4.588 10 0 CJAERO CCCCCO[C@H](C[NH2+]CCC)c1ccccc1Cl ZINC000103976014 185873254 /nfs/dbraw/zinc/87/32/54/185873254.db2.gz JJHMNZRLWDSWTH-MRXNPFEDSA-N 1 0 283.843 4.588 10 0 CJAERO CC(C)CCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000103976521 185873080 /nfs/dbraw/zinc/87/30/80/185873080.db2.gz XQENZQXLDUFQTR-UHFFFAOYSA-N 1 0 265.828 4.612 10 0 CJAERO CCC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000103976618 185873360 /nfs/dbraw/zinc/87/33/60/185873360.db2.gz FPIMPRMNHJEKTP-JQHSSLGASA-N 1 0 259.437 4.944 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1C ZINC000103976753 185872835 /nfs/dbraw/zinc/87/28/35/185872835.db2.gz WPWPVRSSYYNLMY-JKSUJKDBSA-N 1 0 259.437 4.923 10 0 CJAERO Clc1cccc(Cl)c1C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000103980536 185874312 /nfs/dbraw/zinc/87/43/12/185874312.db2.gz WRZLUXGVZUPINY-LRDDRELGSA-N 1 0 292.209 4.639 10 0 CJAERO CCC[C@@H](CC)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000103980575 185873944 /nfs/dbraw/zinc/87/39/44/185873944.db2.gz UQUZSDQNXWZZFN-HZPDHXFCSA-N 1 0 265.828 4.959 10 0 CJAERO CCC[C@H](CC)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000103980577 185874297 /nfs/dbraw/zinc/87/42/97/185874297.db2.gz UQUZSDQNXWZZFN-JKSUJKDBSA-N 1 0 265.828 4.959 10 0 CJAERO CC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C1CCCCC1 ZINC000103980637 185874544 /nfs/dbraw/zinc/87/45/44/185874544.db2.gz XMMIMSRGMJRHCH-SFHVURJKSA-N 1 0 259.437 4.752 10 0 CJAERO CC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C1CCCCC1 ZINC000103980641 185874679 /nfs/dbraw/zinc/87/46/79/185874679.db2.gz XMMIMSRGMJRHCH-GOSISDBHSA-N 1 0 259.437 4.752 10 0 CJAERO CC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)C1CCCCC1 ZINC000103980666 185874324 /nfs/dbraw/zinc/87/43/24/185874324.db2.gz ZJXXAWUREBRHPP-QGZVFWFLSA-N 1 0 263.400 4.583 10 0 CJAERO CCC[NH2+][C@@H](CCC)[C@H](CC)OCC1CCCCC1 ZINC000103981811 185874362 /nfs/dbraw/zinc/87/43/62/185874362.db2.gz QMHPFQCYSWIVOH-IRXDYDNUSA-N 1 0 269.473 4.530 10 0 CJAERO CCC[NH2+][C@H](CCC)[C@H](CC)OCC1CCCCC1 ZINC000103981814 185874229 /nfs/dbraw/zinc/87/42/29/185874229.db2.gz QMHPFQCYSWIVOH-SJORKVTESA-N 1 0 269.473 4.530 10 0 CJAERO CCC[NH2+][C@@H](C)c1ccc(OC[C@H](C)CCC)cc1 ZINC000103981835 185874042 /nfs/dbraw/zinc/87/40/42/185874042.db2.gz BQJVSWHKZWFGJU-CABCVRRESA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@H](C)c1cccc(OCCC(C)(C)C)c1 ZINC000103981844 185874289 /nfs/dbraw/zinc/87/42/89/185874289.db2.gz WGFMANUSPYOKGD-CQSZACIVSA-N 1 0 263.425 4.562 10 0 CJAERO CCC[NH2+][C@@H](CC)c1ccc(OC[C@@H](C)CC)cc1 ZINC000103981848 185873779 /nfs/dbraw/zinc/87/37/79/185873779.db2.gz VDJGTGOHDWCODQ-YOEHRIQHSA-N 1 0 263.425 4.562 10 0 CJAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000103983530 185874921 /nfs/dbraw/zinc/87/49/21/185874921.db2.gz ZIERVCAEWKBGLO-RWMBFGLXSA-N 1 0 269.379 4.830 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000103983570 185875295 /nfs/dbraw/zinc/87/52/95/185875295.db2.gz FEYYJEZMOHBCLC-DZKIICNBSA-N 1 0 259.437 4.779 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]C2[C@H](C)CCC[C@@H]2C)s1 ZINC000103983758 185875525 /nfs/dbraw/zinc/87/55/25/185875525.db2.gz QDAJTLUZJZEKJJ-GVJPBBDUSA-N 1 0 251.439 4.532 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)s1 ZINC000103983761 185875189 /nfs/dbraw/zinc/87/51/89/185875189.db2.gz QDAJTLUZJZEKJJ-GMXVVIOVSA-N 1 0 251.439 4.532 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C1CCCC1 ZINC000103983782 185874966 /nfs/dbraw/zinc/87/49/66/185874966.db2.gz NZLPHFWRBMATEA-NEPJUHHUSA-N 1 0 296.252 4.678 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(Br)cc1 ZINC000103983785 185875576 /nfs/dbraw/zinc/87/55/76/185875576.db2.gz NZLPHFWRBMATEA-VXGBXAGGSA-N 1 0 296.252 4.678 10 0 CJAERO CCC[C@@H](CC)[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000103983853 185875526 /nfs/dbraw/zinc/87/55/26/185875526.db2.gz CVSCTZKXDLOIPA-HUUCEWRRSA-N 1 0 253.817 4.959 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]CC2CCC(C)CC2)cc1 ZINC000103984040 185875358 /nfs/dbraw/zinc/87/53/58/185875358.db2.gz LTJJJDMUKKBTJT-ISXOHVOVSA-N 1 0 259.437 4.726 10 0 CJAERO CCCC[C@@H](CC)CO[C@@H]1CCCCC[C@@H]1[NH2+]CC ZINC000103984822 185875302 /nfs/dbraw/zinc/87/53/02/185875302.db2.gz FOHPXAVWYJWRRX-IXDOHACOSA-N 1 0 269.473 4.530 10 0 CJAERO CCCC[C@H](CC)CO[C@@H]1CCCCC[C@@H]1[NH2+]CC ZINC000103984826 185875470 /nfs/dbraw/zinc/87/54/70/185875470.db2.gz FOHPXAVWYJWRRX-YESZJQIVSA-N 1 0 269.473 4.530 10 0 CJAERO CCCC[C@H](CC)CO[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000103984834 185874988 /nfs/dbraw/zinc/87/49/88/185874988.db2.gz FOHPXAVWYJWRRX-ULQDDVLXSA-N 1 0 269.473 4.530 10 0 CJAERO CC(C)(C[NH2+]C1CCCCCCC1)c1ccccc1 ZINC000103985310 185875001 /nfs/dbraw/zinc/87/50/01/185875001.db2.gz XZMGZZLDCHRANG-UHFFFAOYSA-N 1 0 259.437 4.667 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000103985371 185875529 /nfs/dbraw/zinc/87/55/29/185875529.db2.gz GVXXIBOYFWVBRK-ZNMIVQPWSA-N 1 0 263.425 4.561 10 0 CJAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000103985397 185874873 /nfs/dbraw/zinc/87/48/73/185874873.db2.gz ILOANRBAINISFB-GHMZBOCLSA-N 1 0 291.382 4.823 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](CC)CCC)cc1 ZINC000103985569 185875360 /nfs/dbraw/zinc/87/53/60/185875360.db2.gz MYBYZCCPQSJIJZ-HOCLYGCPSA-N 1 0 263.425 4.705 10 0 CJAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000103985734 185874915 /nfs/dbraw/zinc/87/49/15/185874915.db2.gz BIOSSJDJEHZOKQ-ZQIUZPCESA-N 1 0 265.416 4.561 10 0 CJAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000103985748 185875280 /nfs/dbraw/zinc/87/52/80/185875280.db2.gz YLWRHZKKCVFPMQ-PWSUYJOCSA-N 1 0 279.836 4.833 10 0 CJAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000103985751 185874991 /nfs/dbraw/zinc/87/49/91/185874991.db2.gz YLWRHZKKCVFPMQ-JQWIXIFHSA-N 1 0 279.836 4.833 10 0 CJAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000103985754 185875178 /nfs/dbraw/zinc/87/51/78/185875178.db2.gz YLWRHZKKCVFPMQ-ZYHUDNBSSA-N 1 0 279.836 4.833 10 0 CJAERO C[C@H]1CCC[C@H]1[NH2+]Cc1sc2ccccc2c1Cl ZINC000103985759 185874897 /nfs/dbraw/zinc/87/48/97/185874897.db2.gz YLWRHZKKCVFPMQ-CMPLNLGQSA-N 1 0 279.836 4.833 10 0 CJAERO CCCC[C@@H](CC)COC1(C[NH3+])CCC(CC)CC1 ZINC000103986625 185876045 /nfs/dbraw/zinc/87/60/45/185876045.db2.gz BYFWHJPNNYBIMR-AQFXKWCLSA-N 1 0 269.473 4.517 10 0 CJAERO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)c1ccccc1 ZINC000103987054 185876292 /nfs/dbraw/zinc/87/62/92/185876292.db2.gz VWBFYGVXESZPEY-NVXWUHKLSA-N 1 0 261.453 4.769 10 0 CJAERO CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)c1ccccc1 ZINC000103987060 185876482 /nfs/dbraw/zinc/87/64/82/185876482.db2.gz VWBFYGVXESZPEY-DOTOQJQBSA-N 1 0 261.453 4.769 10 0 CJAERO C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000103987474 185875741 /nfs/dbraw/zinc/87/57/41/185875741.db2.gz JTZVJMNNHVGNHL-LBPRGKRZSA-N 1 0 294.225 4.714 10 0 CJAERO C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000103987479 185876462 /nfs/dbraw/zinc/87/64/62/185876462.db2.gz JTZVJMNNHVGNHL-GFCCVEGCSA-N 1 0 294.225 4.714 10 0 CJAERO CCC1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000103988906 185876599 /nfs/dbraw/zinc/87/65/99/185876599.db2.gz BSBGXMKSBZOENV-PIMMBPRGSA-N 1 0 263.450 4.684 10 0 CJAERO C[C@H](CC[NH2+]C[C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000103988964 185875989 /nfs/dbraw/zinc/87/59/89/185875989.db2.gz IOMNZZKSWLPBCR-LZLYRXPVSA-N 1 0 259.437 4.596 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000103989055 185875790 /nfs/dbraw/zinc/87/57/90/185875790.db2.gz YKTXHJDLVDVSHN-OLZOCXBDSA-N 1 0 272.219 4.833 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1F)C1CCCCC1 ZINC000103989122 185876580 /nfs/dbraw/zinc/87/65/80/185876580.db2.gz UOXPDEMYJJZXCM-DYVFJYSZSA-N 1 0 263.400 4.835 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1F)C1CCCCC1 ZINC000103989126 185875722 /nfs/dbraw/zinc/87/57/22/185875722.db2.gz UOXPDEMYJJZXCM-CXAGYDPISA-N 1 0 263.400 4.835 10 0 CJAERO CCC1CCC(C[NH2+]C(C)(C)C)(OC(C)(C)C)CC1 ZINC000103990052 185876804 /nfs/dbraw/zinc/87/68/04/185876804.db2.gz FTGSAXREFNFOFM-UHFFFAOYSA-N 1 0 269.473 4.529 10 0 CJAERO CCC[NH2+]Cc1ccc(OC[C@H](C)CCC)c(Cl)c1 ZINC000103990235 185877366 /nfs/dbraw/zinc/87/73/66/185877366.db2.gz XAUXKTXKHHEYTQ-CYBMUJFWSA-N 1 0 283.843 4.655 10 0 CJAERO CCCC1CCC([NH2+]C2CCC(CC)CC2)CC1 ZINC000103990609 185877001 /nfs/dbraw/zinc/87/70/01/185877001.db2.gz JBGFKPBSZYGIIZ-UHFFFAOYSA-N 1 0 251.458 4.904 10 0 CJAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000103990661 185877522 /nfs/dbraw/zinc/87/75/22/185877522.db2.gz SVAYYFCNVOFCQQ-GZBFAFLISA-N 1 0 263.450 4.541 10 0 CJAERO CCCCc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000103990960 185877058 /nfs/dbraw/zinc/87/70/58/185877058.db2.gz DYGNPUFXNDPYQU-DAYGRLMNSA-N 1 0 259.437 4.868 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc(Cl)ccc1Cl ZINC000103990983 185876839 /nfs/dbraw/zinc/87/68/39/185876839.db2.gz WDJPGCDNRSPHRX-BFVZDQMLSA-N 1 0 272.219 4.833 10 0 CJAERO CC(C)(C)c1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000103991227 185877168 /nfs/dbraw/zinc/87/71/68/185877168.db2.gz GAYYYUCCMVVXQR-HNNXBMFYSA-N 1 0 277.477 4.608 10 0 CJAERO CC[C@H](C)OC1(C[NH2+]C(C)(C)C)CCC(CC)CC1 ZINC000103991735 185876939 /nfs/dbraw/zinc/87/69/39/185876939.db2.gz GFXHJSRBRBOCTD-UQPPLGOBSA-N 1 0 269.473 4.529 10 0 CJAERO CC(C)[NH2+]Cc1ccc(OCCC(C)(C)C)c(Cl)c1 ZINC000103991858 185876708 /nfs/dbraw/zinc/87/67/08/185876708.db2.gz JVBKDSIIHISSBJ-UHFFFAOYSA-N 1 0 283.843 4.653 10 0 CJAERO Cc1ccc([C@@H]([NH2+]CCC2CCCC2)C2CC2)cc1 ZINC000103991947 185877471 /nfs/dbraw/zinc/87/74/71/185877471.db2.gz UWNYWZZLSSWVRG-GOSISDBHSA-N 1 0 257.421 4.616 10 0 CJAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1cccs1 ZINC000103992200 185876937 /nfs/dbraw/zinc/87/69/37/185876937.db2.gz JHJSVAMFXXMPEA-MJBXVCDLSA-N 1 0 251.439 4.758 10 0 CJAERO Clc1cccc(C2CC([NH2+]CCC3CCCC3)C2)c1 ZINC000103993800 185876830 /nfs/dbraw/zinc/87/68/30/185876830.db2.gz ZQUPPHUEUYSISM-UHFFFAOYSA-N 1 0 277.839 4.756 10 0 CJAERO CCC1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000103994073 185877095 /nfs/dbraw/zinc/87/70/95/185877095.db2.gz KIOMZUUFPGKAQG-HSBZDZAISA-N 1 0 251.439 4.676 10 0 CJAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000103994168 185878295 /nfs/dbraw/zinc/87/82/95/185878295.db2.gz HGCCQRTYJWZRRF-OBJOEFQTSA-N 1 0 283.818 4.956 10 0 CJAERO CCCC[C@@H](CC)[C@H]([NH3+])c1cc(C)ccc1OCC ZINC000103995217 185878460 /nfs/dbraw/zinc/87/84/60/185878460.db2.gz LREMQHUNVBXQSB-PBHICJAKSA-N 1 0 263.425 4.610 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1cc(C)ccc1OCC ZINC000103995225 185878468 /nfs/dbraw/zinc/87/84/68/185878468.db2.gz LREMQHUNVBXQSB-RHSMWYFYSA-N 1 0 263.425 4.610 10 0 CJAERO CC(C)(C)[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000103995494 185878121 /nfs/dbraw/zinc/87/81/21/185878121.db2.gz GTIADJZOCHIWMP-UHFFFAOYSA-N 1 0 265.828 4.540 10 0 CJAERO CC(C)[C@@H](CCCc1ccccc1)C[NH2+]C(C)(C)C ZINC000103996207 185878505 /nfs/dbraw/zinc/87/85/05/185878505.db2.gz YWECVCSUZMJRDI-KRWDZBQOSA-N 1 0 261.453 4.670 10 0 CJAERO C[NH2+]CC1(Cc2ccc(Cl)cc2Cl)CCCCC1 ZINC000103996377 185877967 /nfs/dbraw/zinc/87/79/67/185877967.db2.gz YJRRXHBVXOJVRP-UHFFFAOYSA-N 1 0 286.246 4.706 10 0 CJAERO CCC[C@](C)(C[NH2+]C(C)C)Cc1cc(C)cc(C)c1 ZINC000103996424 185877938 /nfs/dbraw/zinc/87/79/38/185877938.db2.gz WAIONMULEPQECQ-SFHVURJKSA-N 1 0 261.453 4.650 10 0 CJAERO CCC[NH2+][C@H](c1ccc(Cl)cc1)C1=CCCCC1 ZINC000103996768 185877873 /nfs/dbraw/zinc/87/78/73/185877873.db2.gz UYMGGVPMZWYKLB-INIZCTEOSA-N 1 0 263.812 4.881 10 0 CJAERO CCCCCC[C@@H](C)OCC[NH2+]C1CCCCCC1 ZINC000103996877 185878595 /nfs/dbraw/zinc/87/85/95/185878595.db2.gz RBIBSVOJRPOBBC-MRXNPFEDSA-N 1 0 269.473 4.674 10 0 CJAERO CCCCCC[C@@H](C)O[C@H](C)C[NH2+]C(C)(C)CC ZINC000103996903 185878585 /nfs/dbraw/zinc/87/85/85/185878585.db2.gz FTRDPOJPESLCCO-HUUCEWRRSA-N 1 0 257.462 4.529 10 0 CJAERO CCCCCC[C@H](C)O[C@H](C)C[NH2+]C(C)(C)CC ZINC000103996906 185877825 /nfs/dbraw/zinc/87/78/25/185877825.db2.gz FTRDPOJPESLCCO-LSDHHAIUSA-N 1 0 257.462 4.529 10 0 CJAERO CCC(C)(C)[NH2+]C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000103996949 185878696 /nfs/dbraw/zinc/87/86/96/185878696.db2.gz PXOKNRWWPPYQPW-SNVBAGLBSA-N 1 0 290.234 4.539 10 0 CJAERO CCC(C)(C)[NH2+]C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000103996954 185878284 /nfs/dbraw/zinc/87/82/84/185878284.db2.gz PXOKNRWWPPYQPW-JTQLQIEISA-N 1 0 290.234 4.539 10 0 CJAERO CC(C)C[NH2+]CC1(c2ccccc2)CCCCCC1 ZINC000103997073 185878546 /nfs/dbraw/zinc/87/85/46/185878546.db2.gz JXOBKGXYEPXZRI-UHFFFAOYSA-N 1 0 259.437 4.524 10 0 CJAERO CCC(CC)(C[NH2+]C(C)(C)C)c1cc(C)cc(C)c1 ZINC000103997117 185877837 /nfs/dbraw/zinc/87/78/37/185877837.db2.gz RFXDJWFEIPKKKB-UHFFFAOYSA-N 1 0 261.453 4.749 10 0 CJAERO CCC[NH2+]C[C@@H](Cc1cccc(C)c1)C[C@@H](C)CC ZINC000103997771 185877890 /nfs/dbraw/zinc/87/78/90/185877890.db2.gz YAZVTFQOFPSZQL-MAUKXSAKSA-N 1 0 261.453 4.590 10 0 CJAERO CCC[NH2+]C[C@H](Cc1cccc(C)c1)C[C@H](C)CC ZINC000103997781 185877765 /nfs/dbraw/zinc/87/77/65/185877765.db2.gz YAZVTFQOFPSZQL-QAPCUYQASA-N 1 0 261.453 4.590 10 0 CJAERO C[NH2+]CC1(Cc2c(Cl)cccc2Cl)CCCCC1 ZINC000103997879 185878524 /nfs/dbraw/zinc/87/85/24/185878524.db2.gz YKOGSISUKIVXPJ-UHFFFAOYSA-N 1 0 286.246 4.706 10 0 CJAERO CCCC[C@](CC)(C[NH2+]C)Cc1ccc(CC)cc1 ZINC000103997946 185877889 /nfs/dbraw/zinc/87/78/89/185877889.db2.gz QZPAJFSELOIGTB-SFHVURJKSA-N 1 0 261.453 4.598 10 0 CJAERO CCCC[C@@](CC)(C[NH2+]C)Cc1ccc(CC)cc1 ZINC000103997950 185878663 /nfs/dbraw/zinc/87/86/63/185878663.db2.gz QZPAJFSELOIGTB-GOSISDBHSA-N 1 0 261.453 4.598 10 0 CJAERO CCCC[C@@](CC)(C[NH2+]C)Cc1ccc(C)c(C)c1 ZINC000103997974 185878135 /nfs/dbraw/zinc/87/81/35/185878135.db2.gz ZJTHKOZJDQAVBU-GOSISDBHSA-N 1 0 261.453 4.652 10 0 CJAERO CC[C@@](CCC(C)C)(C[NH2+]C(C)C)c1ccccc1 ZINC000103998024 185877963 /nfs/dbraw/zinc/87/79/63/185877963.db2.gz NVONZBOXUCEXSP-GOSISDBHSA-N 1 0 261.453 4.769 10 0 CJAERO CC[C@](CCC(C)C)(C[NH2+]C(C)C)c1ccccc1 ZINC000103998028 185878580 /nfs/dbraw/zinc/87/85/80/185878580.db2.gz NVONZBOXUCEXSP-SFHVURJKSA-N 1 0 261.453 4.769 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH2+]CC)c1cc(C)oc1C ZINC000103998238 185877888 /nfs/dbraw/zinc/87/78/88/185877888.db2.gz CTBPAKVXXFXPPV-HOCLYGCPSA-N 1 0 251.414 4.763 10 0 CJAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)C1=CCCCC1 ZINC000103998269 185878551 /nfs/dbraw/zinc/87/85/51/185878551.db2.gz IVUOMJVGZUDHDU-GOSISDBHSA-N 1 0 257.421 4.790 10 0 CJAERO CCc1oc2ccccc2c1[C@@H](CCC(C)C)[NH2+]C ZINC000103998349 185878393 /nfs/dbraw/zinc/87/83/93/185878393.db2.gz GSSNQLGSOBVICX-CQSZACIVSA-N 1 0 259.393 4.692 10 0 CJAERO CCC[NH2+]CC1(c2ccccc2Cl)CCCCCC1 ZINC000103998580 185878359 /nfs/dbraw/zinc/87/83/59/185878359.db2.gz MTUWYBDHFGFPLD-UHFFFAOYSA-N 1 0 279.855 4.932 10 0 CJAERO CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC000103998694 185878506 /nfs/dbraw/zinc/87/85/06/185878506.db2.gz IXSNUHIJSFMCCQ-ROUUACIJSA-N 1 0 259.437 4.836 10 0 CJAERO CCC[C@](C)(C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000103999485 185878938 /nfs/dbraw/zinc/87/89/38/185878938.db2.gz XNMGINJDJLUAJT-INIZCTEOSA-N 1 0 267.844 4.687 10 0 CJAERO CCC[NH2+]CC(CC)(CC)Cc1ccc(CC)cc1 ZINC000103999514 185879654 /nfs/dbraw/zinc/87/96/54/185879654.db2.gz OQBJECMNIJFMOP-UHFFFAOYSA-N 1 0 261.453 4.598 10 0 CJAERO CCC(C)(C)[NH2+]C[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000103999955 185878837 /nfs/dbraw/zinc/87/88/37/185878837.db2.gz UEDZFTXVASEBMD-JTQLQIEISA-N 1 0 290.234 4.539 10 0 CJAERO C[NH2+][C@@H]1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000104000119 185879151 /nfs/dbraw/zinc/87/91/51/185879151.db2.gz OHRFNJQEVIYFPM-SMDDNHRTSA-N 1 0 272.219 4.629 10 0 CJAERO CCC[C@](C)(C[NH2+]C(C)C)Cc1ccc(F)cc1Cl ZINC000104000928 185878987 /nfs/dbraw/zinc/87/89/87/185878987.db2.gz QEVUCKBFKNGLDA-INIZCTEOSA-N 1 0 285.834 4.826 10 0 CJAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)c1ccc(Cl)s1 ZINC000104001007 185879043 /nfs/dbraw/zinc/87/90/43/185879043.db2.gz RZGFDMXWFLNFEX-CQSZACIVSA-N 1 0 293.863 4.912 10 0 CJAERO CC[NH2+][C@H](C1=CCCC1)C1CCC(C(C)(C)C)CC1 ZINC000104001183 185879116 /nfs/dbraw/zinc/87/91/16/185879116.db2.gz GUQNQBAIODVAND-OFLPRAFFSA-N 1 0 263.469 4.927 10 0 CJAERO CC[NH2+][C@@H](C1=CCCC1)C1CCC(C(C)(C)C)CC1 ZINC000104001186 185878814 /nfs/dbraw/zinc/87/88/14/185878814.db2.gz GUQNQBAIODVAND-JCYILVPMSA-N 1 0 263.469 4.927 10 0 CJAERO CCCC[C@@H]([NH2+]CC)c1c2ccccc2oc1CC ZINC000104001283 185879464 /nfs/dbraw/zinc/87/94/64/185879464.db2.gz XWXBVJMLELGMPM-CQSZACIVSA-N 1 0 259.393 4.836 10 0 CJAERO Cc1ccc(C)c(S[C@H](C[NH2+]C(C)(C)C)C(C)C)c1 ZINC000104001416 185879033 /nfs/dbraw/zinc/87/90/33/185879033.db2.gz QONBJZRCEBXOIQ-MRXNPFEDSA-N 1 0 279.493 4.808 10 0 CJAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1cccc(C)c1C ZINC000104001558 185879280 /nfs/dbraw/zinc/87/92/80/185879280.db2.gz BUMOLUMNCDLZIF-ZWKOTPCHSA-N 1 0 259.437 4.719 10 0 CJAERO CCC[NH2+][C@H]1CCCCC[C@@H]1c1cc(C)cc(C)c1 ZINC000104001579 185879370 /nfs/dbraw/zinc/87/93/70/185879370.db2.gz CDHHGFYMHDWCRG-MSOLQXFVSA-N 1 0 259.437 4.719 10 0 CJAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1cc(C)cc(C)c1 ZINC000104001582 185878907 /nfs/dbraw/zinc/87/89/07/185878907.db2.gz CDHHGFYMHDWCRG-ZWKOTPCHSA-N 1 0 259.437 4.719 10 0 CJAERO CC[NH2+]C[C@](C)(CC)Cc1c(Cl)cccc1Cl ZINC000104002465 185880774 /nfs/dbraw/zinc/88/07/74/185880774.db2.gz HWHJONZEDBEPQJ-CQSZACIVSA-N 1 0 274.235 4.562 10 0 CJAERO CC(C)C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000104002853 185880136 /nfs/dbraw/zinc/88/01/36/185880136.db2.gz CVBNBBFUGCBCIP-UHFFFAOYSA-N 1 0 286.246 4.661 10 0 CJAERO CCC[NH2+]C[C@H](CC)Cc1c(Cl)cccc1Cl ZINC000104003446 185880645 /nfs/dbraw/zinc/88/06/45/185880645.db2.gz QSEJHZVVQNEFLH-LLVKDONJSA-N 1 0 274.235 4.562 10 0 CJAERO Cc1cc(C)c(C)c([C@H]([NH3+])C2CCCCCC2)c1C ZINC000104003512 185880268 /nfs/dbraw/zinc/88/02/68/185880268.db2.gz DCNBKQBBIPFPQN-GOSISDBHSA-N 1 0 259.437 4.890 10 0 CJAERO C[NH2+][C@H](c1cccs1)C1CCC(C(C)(C)C)CC1 ZINC000104003547 185880520 /nfs/dbraw/zinc/88/05/20/185880520.db2.gz DIPFXDTZQBXXSJ-PIMMBPRGSA-N 1 0 265.466 4.861 10 0 CJAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(C)c(Cl)c1 ZINC000104003804 185880475 /nfs/dbraw/zinc/88/04/75/185880475.db2.gz KSTORXSBCMOECZ-INIZCTEOSA-N 1 0 263.812 4.799 10 0 CJAERO CCC(CC)[NH2+]C[C@H](C)Sc1cc(C)ccc1C ZINC000104004045 185880631 /nfs/dbraw/zinc/88/06/31/185880631.db2.gz OLARVUJNAQXERX-AWEZNQCLSA-N 1 0 265.466 4.562 10 0 CJAERO Clc1cccc(Cl)c1C1(C[NH2+]C2CC2)CCCC1 ZINC000104004108 185880619 /nfs/dbraw/zinc/88/06/19/185880619.db2.gz MNWXSCDWUACACI-UHFFFAOYSA-N 1 0 284.230 4.557 10 0 CJAERO CC(C)(C)[NH2+]CC(C)(C)c1c(Cl)cccc1Cl ZINC000104004112 185880450 /nfs/dbraw/zinc/88/04/50/185880450.db2.gz RBTPJNAJVUJXTD-UHFFFAOYSA-N 1 0 274.235 4.659 10 0 CJAERO CC(C)C[C@@H](C[NH2+]C(C)C)Cc1cccc(Cl)c1 ZINC000104004716 185880464 /nfs/dbraw/zinc/88/04/64/185880464.db2.gz JQKZGVVOLFLMGW-OAHLLOKOSA-N 1 0 267.844 4.543 10 0 CJAERO C[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCCCCC1 ZINC000104004863 185880307 /nfs/dbraw/zinc/88/03/07/185880307.db2.gz XNJHBYANRLJECA-MRXNPFEDSA-N 1 0 281.827 4.580 10 0 CJAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCCCCC1 ZINC000104004866 185880401 /nfs/dbraw/zinc/88/04/01/185880401.db2.gz XNJHBYANRLJECA-INIZCTEOSA-N 1 0 281.827 4.580 10 0 CJAERO CCC[NH2+]CC1(Cc2cccc(Cl)c2)CCCCC1 ZINC000104004870 185880363 /nfs/dbraw/zinc/88/03/63/185880363.db2.gz MOGILAPSEUPKOT-UHFFFAOYSA-N 1 0 279.855 4.833 10 0 CJAERO Cc1ccsc1[C@H]([NH3+])C1CCC(C(C)(C)C)CC1 ZINC000104005158 185880657 /nfs/dbraw/zinc/88/06/57/185880657.db2.gz GKVBKGXKGJZBPO-JXQTWKCFSA-N 1 0 265.466 4.909 10 0 CJAERO Cc1ccsc1[C@@H]([NH3+])C1CCC(C(C)(C)C)CC1 ZINC000104005162 185879849 /nfs/dbraw/zinc/87/98/49/185879849.db2.gz GKVBKGXKGJZBPO-RUXDESIVSA-N 1 0 265.466 4.909 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)CC(C)(C)C)c1sccc1C ZINC000104005174 185879843 /nfs/dbraw/zinc/87/98/43/185879843.db2.gz ORPALLNIVFQMJM-AAEUAGOBSA-N 1 0 253.455 4.779 10 0 CJAERO CCC[NH2+][C@H](C1=CCCC1)c1c(C)cc(C)cc1C ZINC000104006516 185881017 /nfs/dbraw/zinc/88/10/17/185881017.db2.gz OALQGNRTEZYITO-GOSISDBHSA-N 1 0 257.421 4.763 10 0 CJAERO CC[C@](C)(C[NH2+]C(C)C)Cc1c(Cl)cccc1Cl ZINC000104009146 185882004 /nfs/dbraw/zinc/88/20/04/185882004.db2.gz KDAIHFBVNPJSQG-HNNXBMFYSA-N 1 0 288.262 4.950 10 0 CJAERO CC[C@@](C)(C[NH2+]C(C)C)Cc1c(Cl)cccc1Cl ZINC000104009148 185881751 /nfs/dbraw/zinc/88/17/51/185881751.db2.gz KDAIHFBVNPJSQG-OAHLLOKOSA-N 1 0 288.262 4.950 10 0 CJAERO C[C@@H](C[NH2+]C1CCCCC1)S[C@@H]1CCC[C@@H](C)C1 ZINC000104009693 185881760 /nfs/dbraw/zinc/88/17/60/185881760.db2.gz GIHOUFBLMHSAKO-IJEWVQPXSA-N 1 0 269.498 4.609 10 0 CJAERO C[C@@H]1CCC[C@H](SCC[NH2+]C2CCCCCC2)C1 ZINC000104009720 185881507 /nfs/dbraw/zinc/88/15/07/185881507.db2.gz VYZSRRDPSLYZIV-ZBFHGGJFSA-N 1 0 269.498 4.611 10 0 CJAERO C[C@H]1CCC[C@H](SCC[NH2+]C2CCCCCC2)C1 ZINC000104009723 185881992 /nfs/dbraw/zinc/88/19/92/185881992.db2.gz VYZSRRDPSLYZIV-HOCLYGCPSA-N 1 0 269.498 4.611 10 0 CJAERO CC(C)(C)[NH2+]CC1(CC2CCCC2)CCCCC1 ZINC000104010653 185881349 /nfs/dbraw/zinc/88/13/49/185881349.db2.gz MNAIXTCUBGNVER-UHFFFAOYSA-N 1 0 251.458 4.905 10 0 CJAERO CCCC[C@](CC)(C[NH2+]C(C)C)Cc1cccs1 ZINC000104010750 185881329 /nfs/dbraw/zinc/88/13/29/185881329.db2.gz AYQQECXISOFCAA-INIZCTEOSA-N 1 0 267.482 4.875 10 0 CJAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1c(Cl)cccc1Cl ZINC000104010812 185881351 /nfs/dbraw/zinc/88/13/51/185881351.db2.gz CHDZDPQPSZUMKO-OAHLLOKOSA-N 1 0 286.246 4.704 10 0 CJAERO CC[NH2+][C@H](C[C@@H](C)CC(C)(C)C)C1=CCCCC1 ZINC000104011023 185881608 /nfs/dbraw/zinc/88/16/08/185881608.db2.gz JYFPWORSIYOFBB-GDBMZVCRSA-N 1 0 251.458 4.927 10 0 CJAERO CCC(CC)[NH2+]C[C@H](C)Sc1ccccc1Cl ZINC000104011298 185881150 /nfs/dbraw/zinc/88/11/50/185881150.db2.gz QVOFBPOQAWQMCL-NSHDSACASA-N 1 0 271.857 4.599 10 0 CJAERO CCC[NH2+]CC(CC)(CC)c1c(F)cccc1Cl ZINC000104011410 185881372 /nfs/dbraw/zinc/88/13/72/185881372.db2.gz LBZMBTGJCYVTIL-UHFFFAOYSA-N 1 0 271.807 4.537 10 0 CJAERO CC(C)C[NH2+]C[C@H](Cc1ccc(Cl)s1)CC(C)C ZINC000104012234 185882224 /nfs/dbraw/zinc/88/22/24/185882224.db2.gz QHYSRJMAIQIQSW-ZDUSSCGKSA-N 1 0 287.900 4.852 10 0 CJAERO CCC[NH2+]C[C@H](Cc1ccc(C)cc1)C[C@H](C)CC ZINC000104012329 185882496 /nfs/dbraw/zinc/88/24/96/185882496.db2.gz CDPYEHJIFYMWHR-QAPCUYQASA-N 1 0 261.453 4.590 10 0 CJAERO CCCCC[C@@H](C[NH2+]CCC)Cc1ccccc1F ZINC000104012351 185882951 /nfs/dbraw/zinc/88/29/51/185882951.db2.gz HMKVOJKDBRVEPJ-OAHLLOKOSA-N 1 0 265.416 4.564 10 0 CJAERO CCC[NH2+]CC(C)(C)Cc1c(Cl)cccc1Cl ZINC000104012376 185882720 /nfs/dbraw/zinc/88/27/20/185882720.db2.gz SVZHKEBBUVQFNW-UHFFFAOYSA-N 1 0 274.235 4.562 10 0 CJAERO CC[C@@](C)(C[NH2+]C(C)(C)C)Cc1c(F)cccc1Cl ZINC000104012594 185882715 /nfs/dbraw/zinc/88/27/15/185882715.db2.gz LMHMFOVPLWZFJU-MRXNPFEDSA-N 1 0 285.834 4.826 10 0 CJAERO CC[C@@H](C[NH2+]C(C)(C)C)Oc1cc(Cl)ccc1Cl ZINC000104014027 185882894 /nfs/dbraw/zinc/88/28/94/185882894.db2.gz JQWJFWQWCFFQAU-NSHDSACASA-N 1 0 290.234 4.539 10 0 CJAERO CC[C@H](C)C[C@@H](C[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000104014115 185882640 /nfs/dbraw/zinc/88/26/40/185882640.db2.gz XOOYQLDIXRGEOZ-DOTOQJQBSA-N 1 0 261.453 4.670 10 0 CJAERO CCCC[C@H](C[NH2+]C(C)(C)C)Cc1ccc(C)cc1 ZINC000104014216 185882215 /nfs/dbraw/zinc/88/22/15/185882215.db2.gz SMAQLXNKCDBNTL-KRWDZBQOSA-N 1 0 261.453 4.732 10 0 CJAERO CCCC[C@@H](C[NH2+]C(C)(C)C)Cc1ccc(C)cc1 ZINC000104014222 185882628 /nfs/dbraw/zinc/88/26/28/185882628.db2.gz SMAQLXNKCDBNTL-QGZVFWFLSA-N 1 0 261.453 4.732 10 0 CJAERO CCCC[C@H](C[NH2+]CCC)Cc1ccccc1Cl ZINC000104014277 185882127 /nfs/dbraw/zinc/88/21/27/185882127.db2.gz FNBANKQPCGQUEJ-AWEZNQCLSA-N 1 0 267.844 4.689 10 0 CJAERO CC(C)(C)[NH2+]CC(C)(C)Cc1c(Cl)cccc1Cl ZINC000104014294 185882251 /nfs/dbraw/zinc/88/22/51/185882251.db2.gz MPWCLDJPJNWTJU-UHFFFAOYSA-N 1 0 288.262 4.950 10 0 CJAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)C1=CCCCC1 ZINC000104014676 185882890 /nfs/dbraw/zinc/88/28/90/185882890.db2.gz LOZCNFSGWSISJX-KRWDZBQOSA-N 1 0 277.839 4.751 10 0 CJAERO CCC(CC)(C[NH2+]C(C)C)c1ccc(Br)cc1 ZINC000104015046 185882667 /nfs/dbraw/zinc/88/26/67/185882667.db2.gz DFRQHXRIRCEUFA-UHFFFAOYSA-N 1 0 298.268 4.505 10 0 CJAERO CCCNc1cc(C2CC2)[nH+]c2c(C)ccc(C)c12 ZINC000104015258 185882558 /nfs/dbraw/zinc/88/25/58/185882558.db2.gz ZVLOOVJLUJKXDO-UHFFFAOYSA-N 1 0 254.377 4.551 10 0 CJAERO CC[C@H](C[NH2+]C(C)(C)C)Oc1cc(C)c(Cl)c(C)c1 ZINC000104015743 185882973 /nfs/dbraw/zinc/88/29/73/185882973.db2.gz XQUZSQBDUKIIFW-CYBMUJFWSA-N 1 0 283.843 4.502 10 0 CJAERO CCCC[C@@H](C[NH2+]C(C)C)Cc1ccccc1Cl ZINC000104015954 185883873 /nfs/dbraw/zinc/88/38/73/185883873.db2.gz AZTUGVDZGONNOY-CQSZACIVSA-N 1 0 267.844 4.687 10 0 CJAERO [NH3+][C@@H](c1csc2ccccc12)C1CCCCCC1 ZINC000104016007 185883575 /nfs/dbraw/zinc/88/35/75/185883575.db2.gz ODINLUVRZXDKIY-MRXNPFEDSA-N 1 0 259.418 4.872 10 0 CJAERO CCC[NH2+]C[C@@](C)(CCC)Cc1cc(C)cc(C)c1 ZINC000104016059 185883834 /nfs/dbraw/zinc/88/38/34/185883834.db2.gz PDZSRKBPFILXQU-SFHVURJKSA-N 1 0 261.453 4.652 10 0 CJAERO CCC[NH2+]C[C@](C)(CCC)Cc1cc(C)cc(C)c1 ZINC000104016065 185883178 /nfs/dbraw/zinc/88/31/78/185883178.db2.gz PDZSRKBPFILXQU-GOSISDBHSA-N 1 0 261.453 4.652 10 0 CJAERO CCC[NH2+]C[C@@](C)(CCC)Cc1ccc(CC)cc1 ZINC000104016072 185883883 /nfs/dbraw/zinc/88/38/83/185883883.db2.gz HZYDCLCJFZCTTR-SFHVURJKSA-N 1 0 261.453 4.598 10 0 CJAERO CCc1ccc(CC(CC)(CC)C[NH2+]CC(C)C)s1 ZINC000104016161 185883131 /nfs/dbraw/zinc/88/31/31/185883131.db2.gz LKZXYTJYGSBNGE-UHFFFAOYSA-N 1 0 281.509 4.905 10 0 CJAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(Cl)cc1Cl ZINC000104016319 185883335 /nfs/dbraw/zinc/88/33/35/185883335.db2.gz YMQUCJXALRNFRJ-INIZCTEOSA-N 1 0 294.225 4.805 10 0 CJAERO CCC[NH2+][C@@H](c1cc(F)ccc1C)C1=CCCCC1 ZINC000104016389 185883124 /nfs/dbraw/zinc/88/31/24/185883124.db2.gz NFXAWCWAJUJZAY-QGZVFWFLSA-N 1 0 261.384 4.675 10 0 CJAERO CC[C@@H](C)[C@@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000104016579 185883214 /nfs/dbraw/zinc/88/32/14/185883214.db2.gz JMRLQVRPTUKANR-CRAIPNDOSA-N 1 0 259.437 4.739 10 0 CJAERO CCCNc1c2cc(C)ccc2[nH+]c(C)c1C(C)C ZINC000104017099 185883184 /nfs/dbraw/zinc/88/31/84/185883184.db2.gz VXFGZRJJVPMNQC-UHFFFAOYSA-N 1 0 256.393 4.797 10 0 CJAERO CCC[NH2+]C[C@H](Cc1ccc(Cl)cc1)C[C@H](C)CC ZINC000104017869 185883237 /nfs/dbraw/zinc/88/32/37/185883237.db2.gz GHIWEMKOKYTNIK-ZBFHGGJFSA-N 1 0 281.871 4.935 10 0 CJAERO CCCC[C@H](C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000104017874 185883232 /nfs/dbraw/zinc/88/32/32/185883232.db2.gz BNODFXHJKYHLFM-HNNXBMFYSA-N 1 0 267.844 4.687 10 0 CJAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1ccc(C)c(C)c1 ZINC000104018175 185883969 /nfs/dbraw/zinc/88/39/69/185883969.db2.gz HXCROJOBFMZCNF-SFHVURJKSA-N 1 0 261.453 4.508 10 0 CJAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1ccc(Cl)s1 ZINC000104018203 185883865 /nfs/dbraw/zinc/88/38/65/185883865.db2.gz UQUJSGHCQMTNJL-AWEZNQCLSA-N 1 0 273.873 4.606 10 0 CJAERO CC[C@@](C)(C[NH2+]CC(C)C)Cc1ccc(Cl)s1 ZINC000104018207 185883288 /nfs/dbraw/zinc/88/32/88/185883288.db2.gz UQUJSGHCQMTNJL-CQSZACIVSA-N 1 0 273.873 4.606 10 0 CJAERO CCC[C@@H](C)[NH2+]C[C@@H](C)Sc1ccc(Cl)cc1 ZINC000104018717 185883259 /nfs/dbraw/zinc/88/32/59/185883259.db2.gz MOQCPQBOZRENKO-VXGBXAGGSA-N 1 0 271.857 4.599 10 0 CJAERO CCNc1cc(C(C)C)[nH+]c2c(C)c(Cl)ccc12 ZINC000104019079 185883756 /nfs/dbraw/zinc/88/37/56/185883756.db2.gz GXUBQRLTZDILJY-UHFFFAOYSA-N 1 0 262.784 4.752 10 0 CJAERO C[NH2+]C[C@]1(Cc2ccc(Cl)cc2Cl)C[C@H]2CC[C@@H]1C2 ZINC000104019962 185883459 /nfs/dbraw/zinc/88/34/59/185883459.db2.gz YEHNHANYOYFBHX-NORZTCDRSA-N 1 0 298.257 4.562 10 0 CJAERO C[NH2+]C[C@@]1(Cc2ccc(Cl)cc2Cl)C[C@H]2CC[C@@H]1C2 ZINC000104019969 185883466 /nfs/dbraw/zinc/88/34/66/185883466.db2.gz YEHNHANYOYFBHX-GHJWDPDVSA-N 1 0 298.257 4.562 10 0 CJAERO C[NH2+]C[C@@]1(Cc2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1C2 ZINC000104019994 185883701 /nfs/dbraw/zinc/88/37/01/185883701.db2.gz SDISKVYCVDDWQS-GHJWDPDVSA-N 1 0 298.257 4.562 10 0 CJAERO CCC[NH2+]CC1(CCCc2ccccc2)CCCC1 ZINC000104020079 185883418 /nfs/dbraw/zinc/88/34/18/185883418.db2.gz NNJCUESOZHBZQG-UHFFFAOYSA-N 1 0 259.437 4.569 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)C1=CCCCC1 ZINC000104020494 185883249 /nfs/dbraw/zinc/88/32/49/185883249.db2.gz IRDUKGCJSPZPPO-KRWDZBQOSA-N 1 0 277.839 4.751 10 0 CJAERO C[NH2+][C@H](c1ccc(Br)cc1)C1=CCCCCC1 ZINC000104020534 185883507 /nfs/dbraw/zinc/88/35/07/185883507.db2.gz PHIHWCCBODFMHI-HNNXBMFYSA-N 1 0 294.236 4.600 10 0 CJAERO CCC[NH2+]Cc1ccc(F)c(-c2cccc(Cl)c2)c1 ZINC000104024005 185884264 /nfs/dbraw/zinc/88/42/64/185884264.db2.gz DWKDZTOREOOILC-UHFFFAOYSA-N 1 0 277.770 4.646 10 0 CJAERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000104027435 185884820 /nfs/dbraw/zinc/88/48/20/185884820.db2.gz HVEMVVKBFVDULF-AXRJEEMOSA-N 1 0 251.458 4.616 10 0 CJAERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000104027438 185884725 /nfs/dbraw/zinc/88/47/25/185884725.db2.gz HVEMVVKBFVDULF-WHHARQNVSA-N 1 0 251.458 4.616 10 0 CJAERO Clc1ccc(-c2cccc(C[NH2+]C3CC3)c2)cc1Cl ZINC000104027579 185884317 /nfs/dbraw/zinc/88/43/17/185884317.db2.gz SCOCKORZVIFHQG-UHFFFAOYSA-N 1 0 292.209 4.912 10 0 CJAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000104029221 185884376 /nfs/dbraw/zinc/88/43/76/185884376.db2.gz YOKVDCXGPANINQ-TZMCWYRMSA-N 1 0 259.418 4.570 10 0 CJAERO Cc1cc(C[NH2+]C2CCCCCCC2)c(C)s1 ZINC000104030844 185884096 /nfs/dbraw/zinc/88/40/96/185884096.db2.gz GGKNOQHTXLPPCI-UHFFFAOYSA-N 1 0 251.439 4.567 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]CC2CCCCC2)s1 ZINC000104031017 185884825 /nfs/dbraw/zinc/88/48/25/185884825.db2.gz SMDHTXMKDCFTSY-LBPRGKRZSA-N 1 0 251.439 4.541 10 0 CJAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(C)c(C)c2)c1 ZINC000104031065 185884488 /nfs/dbraw/zinc/88/44/88/185884488.db2.gz TUVVZXIACBTMEK-OAHLLOKOSA-N 1 0 253.389 4.641 10 0 CJAERO CC[C@H]([NH3+])c1cccc(-c2ccc(C(C)C)cc2)c1 ZINC000104035388 185884997 /nfs/dbraw/zinc/88/49/97/185884997.db2.gz QCATZAJHKOTWIJ-SFHVURJKSA-N 1 0 253.389 4.887 10 0 CJAERO CCCc1ccc(-c2ccc([C@@H](C)[NH2+]C)cc2)cc1 ZINC000104035398 185885263 /nfs/dbraw/zinc/88/52/63/185885263.db2.gz JTMKNPFKFGRFTH-CQSZACIVSA-N 1 0 253.389 4.587 10 0 CJAERO CCCc1ccc(-c2cccc([C@@H]([NH3+])CC)c2)cc1 ZINC000104035412 185885556 /nfs/dbraw/zinc/88/55/56/185885556.db2.gz OFAVLHYNOZGJFW-SFHVURJKSA-N 1 0 253.389 4.716 10 0 CJAERO C[C@H]([NH2+]CCC(C)(C)C)c1cccc2ccccc21 ZINC000104037233 185885649 /nfs/dbraw/zinc/88/56/49/185885649.db2.gz UGMVPEJVOIVQSS-AWEZNQCLSA-N 1 0 255.405 4.927 10 0 CJAERO C[C@@H]([NH2+]CCC(C)(C)C)c1cccc2ccccc21 ZINC000104037239 185885232 /nfs/dbraw/zinc/88/52/32/185885232.db2.gz UGMVPEJVOIVQSS-CQSZACIVSA-N 1 0 255.405 4.927 10 0 CJAERO CC[C@H]([NH2+]CCC(C)(C)C)c1ccc(Cl)cc1 ZINC000104037755 185885629 /nfs/dbraw/zinc/88/56/29/185885629.db2.gz XJUPLKCOKNZHQC-AWEZNQCLSA-N 1 0 253.817 4.817 10 0 CJAERO CC[C@@H]([NH2+]CCC(C)(C)C)c1ccc(Br)cc1 ZINC000104037900 185885042 /nfs/dbraw/zinc/88/50/42/185885042.db2.gz SHJQTPOBESTQRQ-CQSZACIVSA-N 1 0 298.268 4.926 10 0 CJAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000104039105 185884915 /nfs/dbraw/zinc/88/49/15/185884915.db2.gz HYHOPTCRDIFSPP-HNNXBMFYSA-N 1 0 253.389 4.641 10 0 CJAERO CC(C)[C@H]([NH2+]CC(C)(C)C)c1ccc(Cl)cc1 ZINC000104039559 185884929 /nfs/dbraw/zinc/88/49/29/185884929.db2.gz ZJAXUULCNZWCQW-AWEZNQCLSA-N 1 0 253.817 4.673 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000104040704 185885654 /nfs/dbraw/zinc/88/56/54/185885654.db2.gz GPHWNNOBMVPMFI-UKRRQHHQSA-N 1 0 265.466 4.930 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000104040707 185885461 /nfs/dbraw/zinc/88/54/61/185885461.db2.gz GPHWNNOBMVPMFI-DZGCQCFKSA-N 1 0 265.466 4.930 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000104040714 185885316 /nfs/dbraw/zinc/88/53/16/185885316.db2.gz GPHWNNOBMVPMFI-ZFWWWQNUSA-N 1 0 265.466 4.930 10 0 CJAERO CCCCCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000104042349 185885624 /nfs/dbraw/zinc/88/56/24/185885624.db2.gz RXGYNTJAIFLCHA-HNNXBMFYSA-N 1 0 296.252 4.606 10 0 CJAERO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000104042439 185885004 /nfs/dbraw/zinc/88/50/04/185885004.db2.gz NOPXYBDFFMBVEN-OLZOCXBDSA-N 1 0 253.455 4.930 10 0 CJAERO CCC[NH2+][C@H](C)c1ccc(-c2ccc(C)cc2)cc1 ZINC000104042462 185885487 /nfs/dbraw/zinc/88/54/87/185885487.db2.gz BSBCRYLHFNNQKV-OAHLLOKOSA-N 1 0 253.389 4.723 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]C2CCCCCC2)s1 ZINC000104044045 185885678 /nfs/dbraw/zinc/88/56/78/185885678.db2.gz JCHYEROWWIDUKZ-GFCCVEGCSA-N 1 0 251.439 4.684 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]C2CCCCCC2)s1 ZINC000104044050 185885474 /nfs/dbraw/zinc/88/54/74/185885474.db2.gz JCHYEROWWIDUKZ-LBPRGKRZSA-N 1 0 251.439 4.684 10 0 CJAERO CC(C)(C)CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000104045711 185885458 /nfs/dbraw/zinc/88/54/58/185885458.db2.gz LUIOQRZLGHJRPA-HNNXBMFYSA-N 1 0 265.416 4.939 10 0 CJAERO CCc1ccc([C@@H]([NH2+]CCC(C)(C)C)C(C)C)cc1 ZINC000104045940 185885019 /nfs/dbraw/zinc/88/50/19/185885019.db2.gz SLMXDBNDNRONGN-KRWDZBQOSA-N 1 0 261.453 4.972 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)s1 ZINC000104047918 185886352 /nfs/dbraw/zinc/88/63/52/185886352.db2.gz JGXDXEYTLJIKIO-QWHCGFSZSA-N 1 0 253.455 4.786 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)s1 ZINC000104047922 185885873 /nfs/dbraw/zinc/88/58/73/185885873.db2.gz JGXDXEYTLJIKIO-STQMWFEESA-N 1 0 253.455 4.786 10 0 CJAERO CCC[NH2+]C[C@H](CCC(C)C)Cc1ccc(C)cc1 ZINC000104146788 185912044 /nfs/dbraw/zinc/91/20/44/185912044.db2.gz URSANWWHFXJQJM-GOSISDBHSA-N 1 0 261.453 4.590 10 0 CJAERO CC(C)CC[C@H](C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000104147330 185911604 /nfs/dbraw/zinc/91/16/04/185911604.db2.gz LPZWLXVZSHSFPG-INIZCTEOSA-N 1 0 281.871 4.933 10 0 CJAERO CC(C)CC[C@@H](C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000104147332 185911437 /nfs/dbraw/zinc/91/14/37/185911437.db2.gz LPZWLXVZSHSFPG-MRXNPFEDSA-N 1 0 281.871 4.933 10 0 CJAERO CCCCC[C@H]1CCCc2ccccc2[C@H]1[NH2+]CC ZINC000104149221 185911997 /nfs/dbraw/zinc/91/19/97/185911997.db2.gz BMCYOBBQIWPMAV-WMZOPIPTSA-N 1 0 259.437 4.870 10 0 CJAERO CCCCCC[C@H]([NH2+]CC)C1(c2ccccc2)CC1 ZINC000104153344 185912707 /nfs/dbraw/zinc/91/27/07/185912707.db2.gz CEXYQAKXEKIYBN-KRWDZBQOSA-N 1 0 259.437 4.667 10 0 CJAERO CCCCC[C@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000104154015 185912819 /nfs/dbraw/zinc/91/28/19/185912819.db2.gz GIONVIBKYPIDNK-HNNXBMFYSA-N 1 0 279.855 4.831 10 0 CJAERO CCCCCCOc1ccc(C[C@@H]([NH3+])CC)cc1Cl ZINC000104154518 185912588 /nfs/dbraw/zinc/91/25/88/185912588.db2.gz ULSYQOCGKRSJFE-AWEZNQCLSA-N 1 0 283.843 4.579 10 0 CJAERO C[NH2+][C@H](c1ccc2ccccc2c1)C1CCCCC1 ZINC000104156744 185913845 /nfs/dbraw/zinc/91/38/45/185913845.db2.gz FRJCPANUALRLOH-SFHVURJKSA-N 1 0 253.389 4.681 10 0 CJAERO CCC[NH2+][C@@H](CC)[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000104157541 185913713 /nfs/dbraw/zinc/91/37/13/185913713.db2.gz MXJYYRDLJCOXQV-NHYWBVRUSA-N 1 0 288.262 4.950 10 0 CJAERO CCNc1c(C)c(CC)[nH+]c2ccc(C(C)C)cc21 ZINC000104160802 185914260 /nfs/dbraw/zinc/91/42/60/185914260.db2.gz VUXAQXQGXWILGM-UHFFFAOYSA-N 1 0 256.393 4.661 10 0 CJAERO CCCCCC[C@@H]([NH2+]CCC)c1cccc(F)c1 ZINC000104161245 185914745 /nfs/dbraw/zinc/91/47/45/185914745.db2.gz MYLATRCZRGGGMO-MRXNPFEDSA-N 1 0 251.389 4.837 10 0 CJAERO CCCCCC[C@H](Cc1ccc(Br)cc1)[NH2+]C ZINC000104162003 185914810 /nfs/dbraw/zinc/91/48/10/185914810.db2.gz ZSJQTBBNIJMWAS-OAHLLOKOSA-N 1 0 298.268 4.550 10 0 CJAERO CCC[NH2+][C@@H](CCC)CCc1ccc(F)cc1Cl ZINC000104166838 185915318 /nfs/dbraw/zinc/91/53/18/185915318.db2.gz RVVGKNRNLUNKEN-AWEZNQCLSA-N 1 0 271.807 4.580 10 0 CJAERO c1ccc2c(NC3CCCCCCC3)cc[nH+]c2c1 ZINC000104168606 185916043 /nfs/dbraw/zinc/91/60/43/185916043.db2.gz XZWKGMPCPKEJNY-UHFFFAOYSA-N 1 0 254.377 4.760 10 0 CJAERO CC[C@@H](C)c1ccc2c(c1)[C@@H]([NH2+]C)CC(C)(C)CC2 ZINC000104168775 185916274 /nfs/dbraw/zinc/91/62/74/185916274.db2.gz DSFCFJDDCBXPPL-DYVFJYSZSA-N 1 0 259.437 4.823 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000104169449 185916266 /nfs/dbraw/zinc/91/62/66/185916266.db2.gz HHOSUTGZYGVLQC-ZDUSSCGKSA-N 1 0 286.246 4.704 10 0 CJAERO CCC[NH2+][C@H]1CCCCc2c(Cl)cc(Cl)cc21 ZINC000104170135 185916079 /nfs/dbraw/zinc/91/60/79/185916079.db2.gz YDSFVPDJBKTWSO-AWEZNQCLSA-N 1 0 272.219 4.761 10 0 CJAERO CC[NH2+][C@H]1C[C@H](C)CCc2c(Cl)cc(Cl)cc21 ZINC000104170140 185916374 /nfs/dbraw/zinc/91/63/74/185916374.db2.gz XGFAVWJDNSFUDE-OTYXRUKQSA-N 1 0 272.219 4.616 10 0 CJAERO CCCC[C@H](CC)[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000104170822 185916023 /nfs/dbraw/zinc/91/60/23/185916023.db2.gz LOXZUOPSNFYMLB-DZGCQCFKSA-N 1 0 298.268 4.535 10 0 CJAERO CCCC[C@@H](CC)[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000104170824 185916106 /nfs/dbraw/zinc/91/61/06/185916106.db2.gz LOXZUOPSNFYMLB-HIFRSBDPSA-N 1 0 298.268 4.535 10 0 CJAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000104171424 185916272 /nfs/dbraw/zinc/91/62/72/185916272.db2.gz YUWYCYMFUVLSMT-WFASDCNBSA-N 1 0 286.246 4.517 10 0 CJAERO CC[C@H]([NH3+])[C@H](Sc1ccc(C)c(C)c1)C(C)(C)C ZINC000104172257 185916181 /nfs/dbraw/zinc/91/61/81/185916181.db2.gz FTACYAIEPUHMNH-GJZGRUSLSA-N 1 0 265.466 4.548 10 0 CJAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)CC(C)(C)C ZINC000104175744 185917230 /nfs/dbraw/zinc/91/72/30/185917230.db2.gz SUFPSWYVWOJIFO-HNNXBMFYSA-N 1 0 267.844 4.687 10 0 CJAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)CC(C)(C)C ZINC000104175749 185917028 /nfs/dbraw/zinc/91/70/28/185917028.db2.gz SUFPSWYVWOJIFO-OAHLLOKOSA-N 1 0 267.844 4.687 10 0 CJAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)C(CC)CC ZINC000104177163 185917391 /nfs/dbraw/zinc/91/73/91/185917391.db2.gz GZPLBLKABJVXJN-MRXNPFEDSA-N 1 0 267.844 4.687 10 0 CJAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)(C)C ZINC000104178401 185917540 /nfs/dbraw/zinc/91/75/40/185917540.db2.gz XBGXJKKJRWKPRD-OAHLLOKOSA-N 1 0 267.844 4.687 10 0 CJAERO Cc1ccc(C[C@@H]([NH3+])c2ccc(C)c(Cl)c2)cc1C ZINC000104178407 185917550 /nfs/dbraw/zinc/91/75/50/185917550.db2.gz SXUNCPZIYAXDHC-QGZVFWFLSA-N 1 0 273.807 4.508 10 0 CJAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1C)C(C)(C)CC ZINC000104183550 185917892 /nfs/dbraw/zinc/91/78/92/185917892.db2.gz ZPFBAKGIFUJDEB-KRWDZBQOSA-N 1 0 261.453 4.650 10 0 CJAERO CCC[NH2+][C@H](Cc1cc(C)ccc1C)C(C)(C)CC ZINC000104183552 185918301 /nfs/dbraw/zinc/91/83/01/185918301.db2.gz ZPFBAKGIFUJDEB-QGZVFWFLSA-N 1 0 261.453 4.650 10 0 CJAERO CCC[NH2+][C@H]1C[C@H](C)CCc2ccc(C(C)C)cc21 ZINC000104185876 185919287 /nfs/dbraw/zinc/91/92/87/185919287.db2.gz DNPUNWYQFUXKFJ-KDOFPFPSSA-N 1 0 259.437 4.823 10 0 CJAERO CCCCC1CCC([C@@H](Cc2cccs2)[NH2+]C)CC1 ZINC000104186414 185919490 /nfs/dbraw/zinc/91/94/90/185919490.db2.gz RWWMOGJOQLOFLG-VMBOVVBDSA-N 1 0 279.493 4.875 10 0 CJAERO CC[NH2+][C@H](CCC1CCCCC1)Cc1cccs1 ZINC000104186424 185918917 /nfs/dbraw/zinc/91/89/17/185918917.db2.gz HGJMFXPRHKCHIS-OAHLLOKOSA-N 1 0 265.466 4.629 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H](C)CC ZINC000104205245 185930764 /nfs/dbraw/zinc/93/07/64/185930764.db2.gz BUELUXLZNIKTLO-YGRLFVJLSA-N 1 0 274.235 4.560 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H](C)CC ZINC000104205251 185930696 /nfs/dbraw/zinc/93/06/96/185930696.db2.gz BUELUXLZNIKTLO-HZMBPMFUSA-N 1 0 274.235 4.560 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)CC ZINC000104208124 185931966 /nfs/dbraw/zinc/93/19/66/185931966.db2.gz FXTHZOMLVPCNOB-RHSMWYFYSA-N 1 0 261.453 4.551 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H](C)CC ZINC000104208129 185931520 /nfs/dbraw/zinc/93/15/20/185931520.db2.gz FXTHZOMLVPCNOB-WMLDXEAASA-N 1 0 261.453 4.551 10 0 CJAERO CCC[C@H](C[NH2+]C1CC1)Cc1csc2ccccc12 ZINC000104209264 185932055 /nfs/dbraw/zinc/93/20/55/185932055.db2.gz YDSUXGRVYRZJEI-ZDUSSCGKSA-N 1 0 273.445 4.612 10 0 CJAERO CCC[NH2+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H](C)CC ZINC000104211729 185933233 /nfs/dbraw/zinc/93/32/33/185933233.db2.gz BMGBEOVLZRWBRL-NHYWBVRUSA-N 1 0 288.262 4.950 10 0 CJAERO [NH3+][C@@H](Cc1csc2ccccc12)c1ccc(Cl)cc1 ZINC000104212830 185932586 /nfs/dbraw/zinc/93/25/86/185932586.db2.gz YSLFLKVNLQDTLQ-HNNXBMFYSA-N 1 0 287.815 4.797 10 0 CJAERO CCC[NH2+][C@@H](c1ccc2ccccc2c1)[C@@H](C)CC ZINC000104213402 185933029 /nfs/dbraw/zinc/93/30/29/185933029.db2.gz BFDGQANCPBOJHL-KBXCAEBGSA-N 1 0 255.405 4.927 10 0 CJAERO [NH3+][C@H](CCc1csc2ccccc12)c1ccccc1 ZINC000104221854 185935870 /nfs/dbraw/zinc/93/58/70/185935870.db2.gz ASWJWGPFUHDAJF-MRXNPFEDSA-N 1 0 267.397 4.534 10 0 CJAERO CCC[NH2+][C@H](CCC(C)(C)C)c1cc(F)ccc1F ZINC000104247535 185943421 /nfs/dbraw/zinc/94/34/21/185943421.db2.gz SLFFHQKAINEOIU-OAHLLOKOSA-N 1 0 269.379 4.832 10 0 CJAERO CCC[NH2+][C@@H](CCc1cccs1)c1ccc(C)cc1 ZINC000104259472 185947060 /nfs/dbraw/zinc/94/70/60/185947060.db2.gz UIVLVDFOHQAWDW-KRWDZBQOSA-N 1 0 273.445 4.730 10 0 CJAERO CCC[NH2+][C@H](CCc1cccs1)c1ccc(C)cc1 ZINC000104259476 185946764 /nfs/dbraw/zinc/94/67/64/185946764.db2.gz UIVLVDFOHQAWDW-QGZVFWFLSA-N 1 0 273.445 4.730 10 0 CJAERO CCC[NH2+][C@H]1CCCCC[C@H]1CCc1cccs1 ZINC000104277482 185952712 /nfs/dbraw/zinc/95/27/12/185952712.db2.gz XOZASKOXQNLNSH-HOCLYGCPSA-N 1 0 265.466 4.629 10 0 CJAERO [NH3+][C@H](CCc1cccs1)c1cccc2ccccc21 ZINC000104279657 185953596 /nfs/dbraw/zinc/95/35/96/185953596.db2.gz RQSSHMZLAHHQPN-QGZVFWFLSA-N 1 0 267.397 4.534 10 0 CJAERO CCC[C@@](C)(CCc1cccs1)C[NH2+]CC(C)C ZINC000104281488 185954518 /nfs/dbraw/zinc/95/45/18/185954518.db2.gz PNQHHKJVNQREBV-INIZCTEOSA-N 1 0 267.482 4.733 10 0 CJAERO Cc1cc(Oc2cccc(Cl)c2CC[NH3+])ccc1Cl ZINC000104284273 185955372 /nfs/dbraw/zinc/95/53/72/185955372.db2.gz KJQXOIMVVWHOCL-UHFFFAOYSA-N 1 0 296.197 4.595 10 0 CJAERO CC(C)(C)[NH2+]Cc1ccc(SCC2CCCC2)cc1 ZINC000104285154 185954734 /nfs/dbraw/zinc/95/47/34/185954734.db2.gz AKQATPLSTKMLDX-UHFFFAOYSA-N 1 0 277.477 4.857 10 0 CJAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1SC(C)(C)C ZINC000104285405 185955124 /nfs/dbraw/zinc/95/51/24/185955124.db2.gz JNPDYGXFISHUDJ-SNVBAGLBSA-N 1 0 271.857 4.510 10 0 CJAERO C[C@@H]([NH3+])Cc1c(Cl)cccc1Oc1cccc(Cl)c1 ZINC000104286772 185954982 /nfs/dbraw/zinc/95/49/82/185954982.db2.gz UDEHSYZFAMGZHS-SNVBAGLBSA-N 1 0 296.197 4.675 10 0 CJAERO C[C@@H]([NH3+])Cc1ccc(Sc2ccc(Cl)cc2)c(F)c1 ZINC000104287818 185956296 /nfs/dbraw/zinc/95/62/96/185956296.db2.gz KGPNLHOTAKQJIP-SNVBAGLBSA-N 1 0 295.810 4.520 10 0 CJAERO C[C@H]([NH3+])Cc1c(Cl)cccc1SC1CCCCC1 ZINC000104287873 185956504 /nfs/dbraw/zinc/95/65/04/185956504.db2.gz PKPAOEPLVXKWAA-NSHDSACASA-N 1 0 283.868 4.655 10 0 CJAERO Cc1cc(Sc2cccc(Cl)c2)ccc1C[C@H](C)[NH3+] ZINC000104288978 185956231 /nfs/dbraw/zinc/95/62/31/185956231.db2.gz WMAMEZZSVNEDDQ-LBPRGKRZSA-N 1 0 291.847 4.689 10 0 CJAERO CCC[NH2+]Cc1ccc(Sc2ccccc2Cl)cc1 ZINC000104289679 185956050 /nfs/dbraw/zinc/95/60/50/185956050.db2.gz UJKUIRMCNHLOAO-UHFFFAOYSA-N 1 0 291.847 4.991 10 0 CJAERO CC(C)(C)[NH2+]Cc1ccccc1SC1CCCC1 ZINC000104289839 185956303 /nfs/dbraw/zinc/95/63/03/185956303.db2.gz KKHFLGUSPQDLNF-UHFFFAOYSA-N 1 0 263.450 4.609 10 0 CJAERO Cc1cc(C[NH2+]C(C)(C)C)ccc1SC1CCCC1 ZINC000104289845 185955812 /nfs/dbraw/zinc/95/58/12/185955812.db2.gz IBAVONOADZWRDE-UHFFFAOYSA-N 1 0 277.477 4.918 10 0 CJAERO Clc1cccc(SC2CCCC2)c1C[NH2+]C1CC1 ZINC000104290996 185956972 /nfs/dbraw/zinc/95/69/72/185956972.db2.gz GRNWIHDKOLNKCA-UHFFFAOYSA-N 1 0 281.852 4.627 10 0 CJAERO CC[NH2+]Cc1ccc(Sc2ccc(C)cc2C)cc1 ZINC000104291902 185957010 /nfs/dbraw/zinc/95/70/10/185957010.db2.gz NKWYDJVSVKPJMD-UHFFFAOYSA-N 1 0 271.429 4.564 10 0 CJAERO Cc1cc(Sc2ccccc2Cl)ccc1C[C@@H](C)[NH3+] ZINC000104293816 185957275 /nfs/dbraw/zinc/95/72/75/185957275.db2.gz BJIBRDRYOUEKDU-GFCCVEGCSA-N 1 0 291.847 4.689 10 0 CJAERO C[C@@H]1CCC[C@@H](Sc2ccccc2C[NH2+]C2CC2)C1 ZINC000104295907 185957441 /nfs/dbraw/zinc/95/74/41/185957441.db2.gz YZRGZIKYIVEHTD-CZUORRHYSA-N 1 0 275.461 4.609 10 0 CJAERO C[C@@H]1CCC[C@H](Sc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000104297173 185958230 /nfs/dbraw/zinc/95/82/30/185958230.db2.gz SBHUOSZTIXXEGD-DYVFJYSZSA-N 1 0 275.461 4.609 10 0 CJAERO C[C@H]1CCC[C@@H](Sc2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000104297185 185958867 /nfs/dbraw/zinc/95/88/67/185958867.db2.gz SBHUOSZTIXXEGD-SUMWQHHRSA-N 1 0 275.461 4.609 10 0 CJAERO CC(C)(C)[NH2+]Cc1ccc(SC(C)(C)C)c(F)c1 ZINC000104298263 185958627 /nfs/dbraw/zinc/95/86/27/185958627.db2.gz OXIUOCTUMUVTAP-UHFFFAOYSA-N 1 0 269.429 4.604 10 0 CJAERO CC(C)[NH2+]Cc1ccccc1S[C@H]1CCC[C@H](C)C1 ZINC000104298432 185958570 /nfs/dbraw/zinc/95/85/70/185958570.db2.gz BKAILHFXZCJSSP-HOCLYGCPSA-N 1 0 277.477 4.855 10 0 CJAERO CC(C)[NH2+]Cc1ccccc1S[C@@H]1CCC[C@H](C)C1 ZINC000104298438 185958839 /nfs/dbraw/zinc/95/88/39/185958839.db2.gz BKAILHFXZCJSSP-GOEBONIOSA-N 1 0 277.477 4.855 10 0 CJAERO CC(C)[NH2+]Cc1ccc(SC2CCCCC2)c(F)c1 ZINC000104300679 185959317 /nfs/dbraw/zinc/95/93/17/185959317.db2.gz CRZPVTKSZKJAEJ-UHFFFAOYSA-N 1 0 281.440 4.749 10 0 CJAERO CC[NH2+]Cc1ccccc1Sc1cccc(Cl)c1 ZINC000104301832 185959335 /nfs/dbraw/zinc/95/93/35/185959335.db2.gz CQBADSVFFQTCLY-UHFFFAOYSA-N 1 0 277.820 4.601 10 0 CJAERO Cc1cc(C[NH2+]C(C)(C)C)ccc1SCC(C)C ZINC000104302850 185960352 /nfs/dbraw/zinc/96/03/52/185960352.db2.gz WFNKTZRYCUEUMR-UHFFFAOYSA-N 1 0 265.466 4.631 10 0 CJAERO CC[NH2+]Cc1ccc(Sc2cccc(Cl)c2)c(F)c1 ZINC000104302935 185960079 /nfs/dbraw/zinc/96/00/79/185960079.db2.gz QLVIYYQQWOEQIL-UHFFFAOYSA-N 1 0 295.810 4.740 10 0 CJAERO CCC[NH2+][C@@H](CCC)C[C@H]1CCCc2ccccc21 ZINC000104307743 185961394 /nfs/dbraw/zinc/96/13/94/185961394.db2.gz QHXQAZHJBQLJEZ-SJORKVTESA-N 1 0 259.437 4.665 10 0 CJAERO CCC1CCC(C[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000104319294 519083823 /nfs/dbraw/zinc/08/38/23/519083823.db2.gz KBADPRKJRKGLIY-VCANKDNSSA-N 1 0 280.481 4.627 10 0 CJAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)CCCC(C)C)s1 ZINC000104323959 185969193 /nfs/dbraw/zinc/96/91/93/185969193.db2.gz XFVADRWMSFDFOR-RYUDHWBXSA-N 1 0 268.470 4.625 10 0 CJAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)CCCC(C)C)s1 ZINC000104323966 185969191 /nfs/dbraw/zinc/96/91/91/185969191.db2.gz XFVADRWMSFDFOR-NEPJUHHUSA-N 1 0 268.470 4.625 10 0 CJAERO CCCCCOc1cc(C)ccc1[C@H](C)[NH2+]CCC ZINC000104338793 185974249 /nfs/dbraw/zinc/97/42/49/185974249.db2.gz MEOVUNBBKVWMIF-HNNXBMFYSA-N 1 0 263.425 4.625 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000104381597 185987364 /nfs/dbraw/zinc/98/73/64/185987364.db2.gz UFSOVYZZFHVODO-KCPJHIHWSA-N 1 0 296.252 4.665 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000104382301 185987036 /nfs/dbraw/zinc/98/70/36/185987036.db2.gz FLECUHGFYBFONB-KCPJHIHWSA-N 1 0 251.801 4.556 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)[C@H]1CCCC[C@H]1CC ZINC000104384426 185988306 /nfs/dbraw/zinc/98/83/06/185988306.db2.gz KKLRGQNYUNPSEX-VHDGCEQUSA-N 1 0 251.439 4.615 10 0 CJAERO CC[NH2+][C@H](c1ccsc1)[C@@H]1CCCC[C@@H]1CC ZINC000104384438 185987870 /nfs/dbraw/zinc/98/78/70/185987870.db2.gz KKLRGQNYUNPSEX-NWANDNLSSA-N 1 0 251.439 4.615 10 0 CJAERO CC[C@@H]1CCCC[C@H]1[C@@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC000104384447 185987940 /nfs/dbraw/zinc/98/79/40/185987940.db2.gz RREMXQJOKYPHMI-DJIMGWMZSA-N 1 0 279.855 4.687 10 0 CJAERO CC[C@H]1CCCC[C@@H]1C1([NH3+])CCC(C(C)C)CC1 ZINC000104385748 185988419 /nfs/dbraw/zinc/98/84/19/185988419.db2.gz LVTPRNUGTDAIFU-SOEBMCCKSA-N 1 0 251.458 4.747 10 0 CJAERO CCC[NH2+][C@H](Cc1cccs1)[C@H]1CCCC[C@@H]1CC ZINC000104389630 185989426 /nfs/dbraw/zinc/98/94/26/185989426.db2.gz SMDJEMIPTQSIIR-BHYGNILZSA-N 1 0 279.493 4.875 10 0 CJAERO C[NH2+][C@H](C)c1ccc(Oc2ccc(F)c(Cl)c2)cc1 ZINC000104420581 185996002 /nfs/dbraw/zinc/99/60/02/185996002.db2.gz RQOPFQJGZFCZIS-SNVBAGLBSA-N 1 0 279.742 4.552 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000104430258 185999864 /nfs/dbraw/zinc/99/98/64/185999864.db2.gz WRHCBGIJRYYPBW-OLZOCXBDSA-N 1 0 265.466 4.884 10 0 CJAERO C[C@H]([NH2+]CC1(C)CCCC1)c1cccc(Cl)c1 ZINC000104430776 185999298 /nfs/dbraw/zinc/99/92/98/185999298.db2.gz SFZXMMDZLOPPPX-LBPRGKRZSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@@H]([NH2+]CC1(C)CCCC1)c1cccc(Cl)c1 ZINC000104430777 185999401 /nfs/dbraw/zinc/99/94/01/185999401.db2.gz SFZXMMDZLOPPPX-GFCCVEGCSA-N 1 0 251.801 4.571 10 0 CJAERO C[C@H]([NH2+]CC1(C)CCCC1)c1cc2ccccc2o1 ZINC000104432271 186000561 /nfs/dbraw/zinc/00/05/61/186000561.db2.gz OLOUVYSHNWAZMO-ZDUSSCGKSA-N 1 0 257.377 4.664 10 0 CJAERO C[C@@H]([NH2+]CC1(C)CCCC1)c1cc2ccccc2o1 ZINC000104432276 186000097 /nfs/dbraw/zinc/00/00/97/186000097.db2.gz OLOUVYSHNWAZMO-CYBMUJFWSA-N 1 0 257.377 4.664 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000104433160 186000346 /nfs/dbraw/zinc/00/03/46/186000346.db2.gz ODBTWMYXGUAEEZ-OLZOCXBDSA-N 1 0 259.393 4.908 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000104433164 186000073 /nfs/dbraw/zinc/00/00/73/186000073.db2.gz ODBTWMYXGUAEEZ-STQMWFEESA-N 1 0 259.393 4.908 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000104433168 186000226 /nfs/dbraw/zinc/00/02/26/186000226.db2.gz ODBTWMYXGUAEEZ-CHWSQXEVSA-N 1 0 259.393 4.908 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000104433173 186000422 /nfs/dbraw/zinc/00/04/22/186000422.db2.gz ODBTWMYXGUAEEZ-QWHCGFSZSA-N 1 0 259.393 4.908 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@@H](C)C(C)(C)C ZINC000104434122 186000762 /nfs/dbraw/zinc/00/07/62/186000762.db2.gz SMBRHCFTDKFFHS-UKRRQHHQSA-N 1 0 281.871 4.933 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)C[C@@H](C)C(C)(C)C ZINC000104434127 186000803 /nfs/dbraw/zinc/00/08/03/186000803.db2.gz SMBRHCFTDKFFHS-HIFRSBDPSA-N 1 0 281.871 4.933 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@H](C)C(C)(C)C ZINC000104434132 186000391 /nfs/dbraw/zinc/00/03/91/186000391.db2.gz SMBRHCFTDKFFHS-DZGCQCFKSA-N 1 0 281.871 4.933 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)C[C@H](C)C(C)(C)C ZINC000104434135 186000412 /nfs/dbraw/zinc/00/04/12/186000412.db2.gz SMBRHCFTDKFFHS-ZFWWWQNUSA-N 1 0 281.871 4.933 10 0 CJAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@H](C)C(C)(C)C ZINC000104434142 186000613 /nfs/dbraw/zinc/00/06/13/186000613.db2.gz GXWIOOHXNMTMCU-RYUDHWBXSA-N 1 0 285.834 4.682 10 0 CJAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@@H](C)C(C)(C)C ZINC000104434146 186000776 /nfs/dbraw/zinc/00/07/76/186000776.db2.gz GXWIOOHXNMTMCU-NEPJUHHUSA-N 1 0 285.834 4.682 10 0 CJAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@H](C)C(C)(C)C ZINC000104434152 186000178 /nfs/dbraw/zinc/00/01/78/186000178.db2.gz GXWIOOHXNMTMCU-NWDGAFQWSA-N 1 0 285.834 4.682 10 0 CJAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@@H](C)C(C)(C)C ZINC000104434156 186000200 /nfs/dbraw/zinc/00/02/00/186000200.db2.gz GXWIOOHXNMTMCU-VXGBXAGGSA-N 1 0 285.834 4.682 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000104434536 186001120 /nfs/dbraw/zinc/00/11/20/186001120.db2.gz WRIMUEUNDIVWBL-DYVFJYSZSA-N 1 0 263.425 4.561 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000104434540 186001394 /nfs/dbraw/zinc/00/13/94/186001394.db2.gz WRIMUEUNDIVWBL-GUYCJALGSA-N 1 0 263.425 4.561 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000104434544 186001376 /nfs/dbraw/zinc/00/13/76/186001376.db2.gz WRIMUEUNDIVWBL-CXAGYDPISA-N 1 0 263.425 4.561 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000104434550 186001146 /nfs/dbraw/zinc/00/11/46/186001146.db2.gz WRIMUEUNDIVWBL-SUMWQHHRSA-N 1 0 263.425 4.561 10 0 CJAERO Cc1cc(C[C@@H](C)[NH3+])ccc1S[C@@H]1CCC[C@@H](C)C1 ZINC000104436156 186001795 /nfs/dbraw/zinc/00/17/95/186001795.db2.gz URVPVSWTKMRONN-XNRPHZJLSA-N 1 0 277.477 4.556 10 0 CJAERO Cc1cc(C[C@@H](C)[NH3+])ccc1S[C@H]1CCC[C@@H](C)C1 ZINC000104436160 186001235 /nfs/dbraw/zinc/00/12/35/186001235.db2.gz URVPVSWTKMRONN-XPKDYRNWSA-N 1 0 277.477 4.556 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)C[C@@H](C)C(C)(C)C ZINC000104436982 186001174 /nfs/dbraw/zinc/00/11/74/186001174.db2.gz BJSVYZDFZPLTJQ-NVXWUHKLSA-N 1 0 261.453 4.588 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C)cc1)C[C@@H](C)C(C)(C)C ZINC000104436985 186001355 /nfs/dbraw/zinc/00/13/55/186001355.db2.gz BJSVYZDFZPLTJQ-WBVHZDCISA-N 1 0 261.453 4.588 10 0 CJAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)C[C@H](C)C(C)(C)C ZINC000104436989 186001292 /nfs/dbraw/zinc/00/12/92/186001292.db2.gz BJSVYZDFZPLTJQ-DOTOQJQBSA-N 1 0 261.453 4.588 10 0 CJAERO CC[NH2+][C@H](Cc1ccc(C)cc1)C[C@H](C)C(C)(C)C ZINC000104436991 186001454 /nfs/dbraw/zinc/00/14/54/186001454.db2.gz BJSVYZDFZPLTJQ-RDJZCZTQSA-N 1 0 261.453 4.588 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000104437298 186001229 /nfs/dbraw/zinc/00/12/29/186001229.db2.gz XMAXWGWSROXJRJ-IUODEOHRSA-N 1 0 263.450 4.638 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000104437301 186001637 /nfs/dbraw/zinc/00/16/37/186001637.db2.gz XMAXWGWSROXJRJ-SWLSCSKDSA-N 1 0 263.450 4.638 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000104437303 186001434 /nfs/dbraw/zinc/00/14/34/186001434.db2.gz XMAXWGWSROXJRJ-DOMZBBRYSA-N 1 0 263.450 4.638 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000104437306 186001484 /nfs/dbraw/zinc/00/14/84/186001484.db2.gz XMAXWGWSROXJRJ-WFASDCNBSA-N 1 0 263.450 4.638 10 0 CJAERO Cc1cc(C)c(C)c([C@H]([NH3+])C[C@@H](C)C(C)(C)C)c1C ZINC000104438099 186002009 /nfs/dbraw/zinc/00/20/09/186002009.db2.gz WJNJBDFJGGWZAW-CZUORRHYSA-N 1 0 261.453 4.992 10 0 CJAERO Cc1cc(C)c(C)c([C@@H]([NH3+])C[C@@H](C)C(C)(C)C)c1C ZINC000104438102 186002289 /nfs/dbraw/zinc/00/22/89/186002289.db2.gz WJNJBDFJGGWZAW-CJNGLKHVSA-N 1 0 261.453 4.992 10 0 CJAERO Cc1cc(C)c(C)c([C@H]([NH3+])C[C@H](C)C(C)(C)C)c1C ZINC000104438104 186002027 /nfs/dbraw/zinc/00/20/27/186002027.db2.gz WJNJBDFJGGWZAW-XJKSGUPXSA-N 1 0 261.453 4.992 10 0 CJAERO Cc1cc(C)c(C)c([C@@H]([NH3+])C[C@H](C)C(C)(C)C)c1C ZINC000104438108 186002185 /nfs/dbraw/zinc/00/21/85/186002185.db2.gz WJNJBDFJGGWZAW-BBRMVZONSA-N 1 0 261.453 4.992 10 0 CJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)C[C@H](C)C(C)(C)C ZINC000104438137 186002466 /nfs/dbraw/zinc/00/24/66/186002466.db2.gz GDJWFDHIXKOKKM-WFASDCNBSA-N 1 0 267.844 4.543 10 0 CJAERO C[NH2+][C@H](Cc1cccc(Cl)c1)C[C@@H](C)C(C)(C)C ZINC000104438139 186002036 /nfs/dbraw/zinc/00/20/36/186002036.db2.gz GDJWFDHIXKOKKM-DOMZBBRYSA-N 1 0 267.844 4.543 10 0 CJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@H](C)C(C)(C)C ZINC000104438142 186002076 /nfs/dbraw/zinc/00/20/76/186002076.db2.gz GDJWFDHIXKOKKM-SWLSCSKDSA-N 1 0 267.844 4.543 10 0 CJAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@@H](C)C(C)(C)C ZINC000104438146 186002081 /nfs/dbraw/zinc/00/20/81/186002081.db2.gz GDJWFDHIXKOKKM-IUODEOHRSA-N 1 0 267.844 4.543 10 0 CJAERO C[C@@H](C[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000104438152 186001958 /nfs/dbraw/zinc/00/19/58/186001958.db2.gz MMUOQBNGDMJNPM-JQWIXIFHSA-N 1 0 288.262 4.936 10 0 CJAERO C[C@H](C[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000104438155 186002559 /nfs/dbraw/zinc/00/25/59/186002559.db2.gz MMUOQBNGDMJNPM-PWSUYJOCSA-N 1 0 288.262 4.936 10 0 CJAERO C[C@@H](C[C@@H]([NH3+])Cc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000104438159 186001947 /nfs/dbraw/zinc/00/19/47/186001947.db2.gz MMUOQBNGDMJNPM-CMPLNLGQSA-N 1 0 288.262 4.936 10 0 CJAERO C[C@H](C[C@@H]([NH3+])Cc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000104438160 186002114 /nfs/dbraw/zinc/00/21/14/186002114.db2.gz MMUOQBNGDMJNPM-ZYHUDNBSSA-N 1 0 288.262 4.936 10 0 CJAERO CC(C)Cc1ccc([C@H]([NH3+])C[C@@H](C)C(C)(C)C)cc1 ZINC000104439181 186002677 /nfs/dbraw/zinc/00/26/77/186002677.db2.gz KNGONJLTWDAADH-RHSMWYFYSA-N 1 0 261.453 4.957 10 0 CJAERO CC(C)Cc1ccc([C@@H]([NH3+])C[C@@H](C)C(C)(C)C)cc1 ZINC000104439185 186002684 /nfs/dbraw/zinc/00/26/84/186002684.db2.gz KNGONJLTWDAADH-PBHICJAKSA-N 1 0 261.453 4.957 10 0 CJAERO CC(C)Cc1ccc([C@H]([NH3+])C[C@H](C)C(C)(C)C)cc1 ZINC000104439190 186002134 /nfs/dbraw/zinc/00/21/34/186002134.db2.gz KNGONJLTWDAADH-WMLDXEAASA-N 1 0 261.453 4.957 10 0 CJAERO CC(C)Cc1ccc([C@@H]([NH3+])C[C@H](C)C(C)(C)C)cc1 ZINC000104439193 186002060 /nfs/dbraw/zinc/00/20/60/186002060.db2.gz KNGONJLTWDAADH-YOEHRIQHSA-N 1 0 261.453 4.957 10 0 CJAERO CCC(CC)[C@@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000104439705 186002667 /nfs/dbraw/zinc/00/26/67/186002667.db2.gz WEECIXIUEULYSC-CYBMUJFWSA-N 1 0 256.393 4.780 10 0 CJAERO CCC(CC)[C@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000104439708 186002173 /nfs/dbraw/zinc/00/21/73/186002173.db2.gz WEECIXIUEULYSC-ZDUSSCGKSA-N 1 0 256.393 4.780 10 0 CJAERO C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(F)c(Cl)c1 ZINC000104439941 186002868 /nfs/dbraw/zinc/00/28/68/186002868.db2.gz OVRMIBWJVAEWFU-NSHDSACASA-N 1 0 269.791 4.710 10 0 CJAERO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(F)c(Cl)c1 ZINC000104439943 186002767 /nfs/dbraw/zinc/00/27/67/186002767.db2.gz OVRMIBWJVAEWFU-LLVKDONJSA-N 1 0 269.791 4.710 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000104440734 186003154 /nfs/dbraw/zinc/00/31/54/186003154.db2.gz AENLCAMUCKUBRL-SNVBAGLBSA-N 1 0 274.235 4.908 10 0 CJAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000104440738 186003139 /nfs/dbraw/zinc/00/31/39/186003139.db2.gz AENLCAMUCKUBRL-JTQLQIEISA-N 1 0 274.235 4.908 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000104440759 186003298 /nfs/dbraw/zinc/00/32/98/186003298.db2.gz JWLDQPFXMUHFNQ-MNOVXSKESA-N 1 0 271.807 4.954 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000104440762 186003135 /nfs/dbraw/zinc/00/31/35/186003135.db2.gz JWLDQPFXMUHFNQ-QWRGUYRKSA-N 1 0 271.807 4.954 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000104440764 186003592 /nfs/dbraw/zinc/00/35/92/186003592.db2.gz JWLDQPFXMUHFNQ-GHMZBOCLSA-N 1 0 271.807 4.954 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000104440766 186003587 /nfs/dbraw/zinc/00/35/87/186003587.db2.gz JWLDQPFXMUHFNQ-WDEREUQCSA-N 1 0 271.807 4.954 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000104441610 186002829 /nfs/dbraw/zinc/00/28/29/186002829.db2.gz SGEQRUGTMCEOTN-FZMZJTMJSA-N 1 0 283.843 4.681 10 0 CJAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000104441613 186003562 /nfs/dbraw/zinc/00/35/62/186003562.db2.gz SGEQRUGTMCEOTN-RISCZKNCSA-N 1 0 283.843 4.681 10 0 CJAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000104441617 186003352 /nfs/dbraw/zinc/00/33/52/186003352.db2.gz SGEQRUGTMCEOTN-SMDDNHRTSA-N 1 0 283.843 4.681 10 0 CJAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000104441620 186003533 /nfs/dbraw/zinc/00/35/33/186003533.db2.gz SGEQRUGTMCEOTN-BXUZGUMPSA-N 1 0 283.843 4.681 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000104441919 186003112 /nfs/dbraw/zinc/00/31/12/186003112.db2.gz NVQUYSFQYUZRBP-NEPJUHHUSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000104441921 186003583 /nfs/dbraw/zinc/00/35/83/186003583.db2.gz NVQUYSFQYUZRBP-RYUDHWBXSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000104441924 186003410 /nfs/dbraw/zinc/00/34/10/186003410.db2.gz NVQUYSFQYUZRBP-VXGBXAGGSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000104441927 186003169 /nfs/dbraw/zinc/00/31/69/186003169.db2.gz NVQUYSFQYUZRBP-NWDGAFQWSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000104441933 186002804 /nfs/dbraw/zinc/00/28/04/186002804.db2.gz QZRKVBDXNLPCNU-NEPJUHHUSA-N 1 0 253.817 4.815 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000104441938 186003321 /nfs/dbraw/zinc/00/33/21/186003321.db2.gz QZRKVBDXNLPCNU-RYUDHWBXSA-N 1 0 253.817 4.815 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000104441941 186003567 /nfs/dbraw/zinc/00/35/67/186003567.db2.gz QZRKVBDXNLPCNU-VXGBXAGGSA-N 1 0 253.817 4.815 10 0 CJAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1cc(C)sc1C ZINC000104444062 186003727 /nfs/dbraw/zinc/00/37/27/186003727.db2.gz BBTAFVGZMYNCLP-QMTHXVAHSA-N 1 0 253.455 4.698 10 0 CJAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1cc(C)sc1C ZINC000104444067 186003890 /nfs/dbraw/zinc/00/38/90/186003890.db2.gz BBTAFVGZMYNCLP-YGRLFVJLSA-N 1 0 253.455 4.698 10 0 CJAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1cc(C)sc1C ZINC000104444071 186004002 /nfs/dbraw/zinc/00/40/02/186004002.db2.gz BBTAFVGZMYNCLP-IINYFYTJSA-N 1 0 253.455 4.698 10 0 CJAERO C[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1cc(C)sc1C ZINC000104444076 186003729 /nfs/dbraw/zinc/00/37/29/186003729.db2.gz BBTAFVGZMYNCLP-HZMBPMFUSA-N 1 0 253.455 4.698 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000104444400 186003720 /nfs/dbraw/zinc/00/37/20/186003720.db2.gz SFXQGKVQYDJRGN-IUODEOHRSA-N 1 0 253.455 4.860 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000104444402 186003739 /nfs/dbraw/zinc/00/37/39/186003739.db2.gz SFXQGKVQYDJRGN-SWLSCSKDSA-N 1 0 253.455 4.860 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000104444405 186004484 /nfs/dbraw/zinc/00/44/84/186004484.db2.gz SFXQGKVQYDJRGN-DOMZBBRYSA-N 1 0 253.455 4.860 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000104444409 186004384 /nfs/dbraw/zinc/00/43/84/186004384.db2.gz SFXQGKVQYDJRGN-WFASDCNBSA-N 1 0 253.455 4.860 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000104444833 186004701 /nfs/dbraw/zinc/00/47/01/186004701.db2.gz PIYCCHYSCNNXFG-LSDHHAIUSA-N 1 0 251.458 4.761 10 0 CJAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000104444838 186004873 /nfs/dbraw/zinc/00/48/73/186004873.db2.gz PIYCCHYSCNNXFG-GJZGRUSLSA-N 1 0 251.458 4.761 10 0 CJAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000104444844 186005460 /nfs/dbraw/zinc/00/54/60/186005460.db2.gz PIYCCHYSCNNXFG-CABCVRRESA-N 1 0 251.458 4.761 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000104445620 186004986 /nfs/dbraw/zinc/00/49/86/186004986.db2.gz PENMHPGTNVFQMN-CQSZACIVSA-N 1 0 261.453 4.898 10 0 CJAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000104445624 186005343 /nfs/dbraw/zinc/00/53/43/186005343.db2.gz PENMHPGTNVFQMN-AWEZNQCLSA-N 1 0 261.453 4.898 10 0 CJAERO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)CCCC2)c(C)c1 ZINC000104446070 186005361 /nfs/dbraw/zinc/00/53/61/186005361.db2.gz VNLGVMYHTXSXSI-MRXNPFEDSA-N 1 0 259.437 4.843 10 0 CJAERO Cc1cc(C)c([C@H](C)[NH2+]CC2(C)CCCC2)c(C)c1 ZINC000104446073 186005058 /nfs/dbraw/zinc/00/50/58/186005058.db2.gz VNLGVMYHTXSXSI-INIZCTEOSA-N 1 0 259.437 4.843 10 0 CJAERO CC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1cc(F)ccc1F ZINC000104446654 186004999 /nfs/dbraw/zinc/00/49/99/186004999.db2.gz RNXVGOHFFGLJPQ-ABAIWWIYSA-N 1 0 269.379 4.688 10 0 CJAERO CC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1cc(F)ccc1F ZINC000104446657 186004937 /nfs/dbraw/zinc/00/49/37/186004937.db2.gz RNXVGOHFFGLJPQ-IAQYHMDHSA-N 1 0 269.379 4.688 10 0 CJAERO CC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1cc(F)ccc1F ZINC000104446661 186004944 /nfs/dbraw/zinc/00/49/44/186004944.db2.gz RNXVGOHFFGLJPQ-NHYWBVRUSA-N 1 0 269.379 4.688 10 0 CJAERO CC[NH2+][C@H](C[C@H](C)C(C)(C)C)c1cc(F)ccc1F ZINC000104446667 186005435 /nfs/dbraw/zinc/00/54/35/186005435.db2.gz RNXVGOHFFGLJPQ-XHDPSFHLSA-N 1 0 269.379 4.688 10 0 CJAERO CC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(CC)cc1 ZINC000104446673 186005053 /nfs/dbraw/zinc/00/50/53/186005053.db2.gz FNFXWKPQQGCIBD-RHSMWYFYSA-N 1 0 261.453 4.972 10 0 CJAERO CC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(CC)cc1 ZINC000104446677 186004596 /nfs/dbraw/zinc/00/45/96/186004596.db2.gz FNFXWKPQQGCIBD-PBHICJAKSA-N 1 0 261.453 4.972 10 0 CJAERO CC[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(CC)cc1 ZINC000104446681 186004703 /nfs/dbraw/zinc/00/47/03/186004703.db2.gz FNFXWKPQQGCIBD-WMLDXEAASA-N 1 0 261.453 4.972 10 0 CJAERO CC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc(CC)cc1 ZINC000104446686 186004797 /nfs/dbraw/zinc/00/47/97/186004797.db2.gz FNFXWKPQQGCIBD-YOEHRIQHSA-N 1 0 261.453 4.972 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000104447030 186005355 /nfs/dbraw/zinc/00/53/55/186005355.db2.gz VCIPAHOGFYMKNZ-SNVBAGLBSA-N 1 0 291.407 4.650 10 0 CJAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000104447032 186004807 /nfs/dbraw/zinc/00/48/07/186004807.db2.gz VCIPAHOGFYMKNZ-JTQLQIEISA-N 1 0 291.407 4.650 10 0 CJAERO CC[C@H]([NH3+])Cc1ccc(SCC2CCCC2)cc1C ZINC000104448392 186005634 /nfs/dbraw/zinc/00/56/34/186005634.db2.gz GCYAPRMREPWNCG-INIZCTEOSA-N 1 0 277.477 4.557 10 0 CJAERO CC[C@@H]([NH3+])Cc1ccc(SCC2CCCC2)cc1C ZINC000104448394 186006236 /nfs/dbraw/zinc/00/62/36/186006236.db2.gz GCYAPRMREPWNCG-MRXNPFEDSA-N 1 0 277.477 4.557 10 0 CJAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1SCC1CCCC1 ZINC000104448398 186005912 /nfs/dbraw/zinc/00/59/12/186005912.db2.gz SNJLGXMPXWJLAY-ZDUSSCGKSA-N 1 0 297.895 4.902 10 0 CJAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1SCC1CCCC1 ZINC000104448400 186006266 /nfs/dbraw/zinc/00/62/66/186006266.db2.gz SNJLGXMPXWJLAY-CYBMUJFWSA-N 1 0 297.895 4.902 10 0 CJAERO CCC[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1cccs1 ZINC000104448951 186005941 /nfs/dbraw/zinc/00/59/41/186005941.db2.gz NFGNEMQZSHGQNK-OLZOCXBDSA-N 1 0 253.455 4.861 10 0 CJAERO CCC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1cccs1 ZINC000104448953 186005785 /nfs/dbraw/zinc/00/57/85/186005785.db2.gz NFGNEMQZSHGQNK-CHWSQXEVSA-N 1 0 253.455 4.861 10 0 CJAERO CCC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1cccs1 ZINC000104448956 186005593 /nfs/dbraw/zinc/00/55/93/186005593.db2.gz NFGNEMQZSHGQNK-STQMWFEESA-N 1 0 253.455 4.861 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000104449279 186005581 /nfs/dbraw/zinc/00/55/81/186005581.db2.gz ZUTIUMHDJJABIY-NEPJUHHUSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000104449282 186006123 /nfs/dbraw/zinc/00/61/23/186006123.db2.gz ZUTIUMHDJJABIY-RYUDHWBXSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000104449283 186005669 /nfs/dbraw/zinc/00/56/69/186005669.db2.gz ZUTIUMHDJJABIY-VXGBXAGGSA-N 1 0 298.268 4.924 10 0 CJAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000104449288 186005588 /nfs/dbraw/zinc/00/55/88/186005588.db2.gz ZUTIUMHDJJABIY-NWDGAFQWSA-N 1 0 298.268 4.924 10 0 CJAERO C#[N+]c1cc(Cl)c(Cl)cc1NC(=O)OC(C)(C)C ZINC000104899471 186030858 /nfs/dbraw/zinc/03/08/58/186030858.db2.gz QXJLHHZORXUTQL-UHFFFAOYSA-N 1 0 287.146 4.891 10 0 CJAERO C#[N+]c1c(Cl)cc(C(F)(F)F)cc1Br ZINC000104899885 186030894 /nfs/dbraw/zinc/03/08/94/186030894.db2.gz YLVFNNIYHFILBP-UHFFFAOYSA-N 1 0 284.462 4.672 10 0 CJAERO C#[N+]c1cc2ccccc2cc1NC(=O)OC(C)(C)C ZINC000104899938 186030414 /nfs/dbraw/zinc/03/04/14/186030414.db2.gz XHDKRUAKSHHTHP-UHFFFAOYSA-N 1 0 268.316 4.738 10 0 CJAERO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000105023328 328825970 /nfs/dbraw/zinc/82/59/70/328825970.db2.gz KCPNBZRDFGCXOT-QGZVFWFLSA-N 1 0 297.442 4.780 10 0 CJAERO Cc1ccccc1[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000105689784 330327937 /nfs/dbraw/zinc/32/79/37/330327937.db2.gz ZJZUPSCBCKRQAK-LJQANCHMSA-N 1 0 293.435 4.936 10 0 CJAERO Cc1ccccc1[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000105689785 330327979 /nfs/dbraw/zinc/32/79/79/330327979.db2.gz ZJZUPSCBCKRQAK-IBGZPJMESA-N 1 0 293.435 4.936 10 0 CJAERO C[C@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)CC1 ZINC000106270474 186105778 /nfs/dbraw/zinc/10/57/78/186105778.db2.gz FJRUCCWMOFQSAN-MQMHXKEQSA-N 1 0 259.418 4.570 10 0 CJAERO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCC(C)C ZINC000109666354 186268608 /nfs/dbraw/zinc/26/86/08/186268608.db2.gz HASYBZXBEZQBRR-HRCADAONSA-N 1 0 253.474 4.863 10 0 CJAERO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CCC(C)C ZINC000109666356 186269111 /nfs/dbraw/zinc/26/91/11/186269111.db2.gz HASYBZXBEZQBRR-JYJNAYRXSA-N 1 0 253.474 4.863 10 0 CJAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCC(C)C ZINC000109666359 186268269 /nfs/dbraw/zinc/26/82/69/186268269.db2.gz HASYBZXBEZQBRR-ARFHVFGLSA-N 1 0 253.474 4.863 10 0 CJAERO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CCC(C)C ZINC000109666361 186268967 /nfs/dbraw/zinc/26/89/67/186268967.db2.gz HASYBZXBEZQBRR-XHSDSOJGSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CCC(C)C ZINC000109668790 186269018 /nfs/dbraw/zinc/26/90/18/186269018.db2.gz ZQEGIOQYARJYPN-YESZJQIVSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CCC(C)C ZINC000109668794 186269175 /nfs/dbraw/zinc/26/91/75/186269175.db2.gz ZQEGIOQYARJYPN-ULQDDVLXSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CCC(C)C ZINC000109668798 186268522 /nfs/dbraw/zinc/26/85/22/186268522.db2.gz ZQEGIOQYARJYPN-IXDOHACOSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CCC(C)C ZINC000109668801 186269178 /nfs/dbraw/zinc/26/91/78/186269178.db2.gz ZQEGIOQYARJYPN-IKGGRYGDSA-N 1 0 253.474 4.863 10 0 CJAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)CC1CCCCC1 ZINC000109721001 186269904 /nfs/dbraw/zinc/26/99/04/186269904.db2.gz DTPZPIJDKWHEEK-QGZVFWFLSA-N 1 0 279.855 4.831 10 0 CJAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)CC1CCCCC1 ZINC000109721004 186270038 /nfs/dbraw/zinc/27/00/38/186270038.db2.gz DTPZPIJDKWHEEK-KRWDZBQOSA-N 1 0 279.855 4.831 10 0 CJAERO CCCCCC[C@@H](Cc1ccc(F)cc1)[NH2+]CCC ZINC000109724081 186269668 /nfs/dbraw/zinc/26/96/68/186269668.db2.gz HTSWIKBYEDSVSX-KRWDZBQOSA-N 1 0 265.416 4.707 10 0 CJAERO CCCCCC[C@H](Cc1ccc(F)cc1)[NH2+]CCC ZINC000109724084 186270054 /nfs/dbraw/zinc/27/00/54/186270054.db2.gz HTSWIKBYEDSVSX-QGZVFWFLSA-N 1 0 265.416 4.707 10 0 CJAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)CC1CCCC1 ZINC000109724835 186270099 /nfs/dbraw/zinc/27/00/99/186270099.db2.gz WRNMVRZVVHVGNK-CQSZACIVSA-N 1 0 286.246 4.704 10 0 CJAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)CC1CCCC1 ZINC000109724837 186269451 /nfs/dbraw/zinc/26/94/51/186269451.db2.gz WRNMVRZVVHVGNK-AWEZNQCLSA-N 1 0 286.246 4.704 10 0 CJAERO CCC[NH2+][C@@H](c1ccccc1C)c1ccccc1Cl ZINC000109725398 186269720 /nfs/dbraw/zinc/26/97/20/186269720.db2.gz APGUDDDZIWDFNV-KRWDZBQOSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@H](c1ccccc1C)c1ccccc1Cl ZINC000109725400 186270680 /nfs/dbraw/zinc/27/06/80/186270680.db2.gz APGUDDDZIWDFNV-QGZVFWFLSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@@H](c1cccc(C)c1)c1ccccc1Cl ZINC000109725747 186271095 /nfs/dbraw/zinc/27/10/95/186271095.db2.gz BVFCQLVJEQLOBE-KRWDZBQOSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@H](c1cccc(C)c1)c1ccccc1Cl ZINC000109725748 186271288 /nfs/dbraw/zinc/27/12/88/186271288.db2.gz BVFCQLVJEQLOBE-QGZVFWFLSA-N 1 0 273.807 4.737 10 0 CJAERO CCC[NH2+][C@@H](CC1CCCC1)c1ccc(C)c(F)c1 ZINC000109726264 186270613 /nfs/dbraw/zinc/27/06/13/186270613.db2.gz VHRUXKRNPPZXMN-KRWDZBQOSA-N 1 0 263.400 4.755 10 0 CJAERO CCC[NH2+][C@H](CC1CCCC1)c1ccc(C)c(F)c1 ZINC000109726267 186270659 /nfs/dbraw/zinc/27/06/59/186270659.db2.gz VHRUXKRNPPZXMN-QGZVFWFLSA-N 1 0 263.400 4.755 10 0 CJAERO CCC[NH2+][C@@H](CCC(C)C)Cc1cc(C)cc(C)c1 ZINC000109729803 186270490 /nfs/dbraw/zinc/27/04/90/186270490.db2.gz NZPCJHXGNCHGMU-SFHVURJKSA-N 1 0 261.453 4.650 10 0 CJAERO CCC[NH2+][C@H](CCC(C)C)Cc1cc(C)cc(C)c1 ZINC000109729807 186270329 /nfs/dbraw/zinc/27/03/29/186270329.db2.gz NZPCJHXGNCHGMU-GOSISDBHSA-N 1 0 261.453 4.650 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1Cl)CC1CCCCC1 ZINC000109732497 186270880 /nfs/dbraw/zinc/27/08/80/186270880.db2.gz QHKMNKWJHOMGKJ-MRXNPFEDSA-N 1 0 279.855 4.831 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1Cl)CC1CCCCC1 ZINC000109732500 186270265 /nfs/dbraw/zinc/27/02/65/186270265.db2.gz QHKMNKWJHOMGKJ-INIZCTEOSA-N 1 0 279.855 4.831 10 0 CJAERO CCC[NH2+][C@@H](Cc1cccs1)CC1CCCCC1 ZINC000109740598 186270651 /nfs/dbraw/zinc/27/06/51/186270651.db2.gz UGMQKVJOIVSQEP-OAHLLOKOSA-N 1 0 265.466 4.629 10 0 CJAERO CCC[NH2+][C@H](Cc1cccs1)CC1CCCCC1 ZINC000109740600 186270627 /nfs/dbraw/zinc/27/06/27/186270627.db2.gz UGMQKVJOIVSQEP-HNNXBMFYSA-N 1 0 265.466 4.629 10 0 CJAERO CCCCCC[C@@H](Cc1cc(C)cc(C)c1)[NH2+]CC ZINC000109741165 186270638 /nfs/dbraw/zinc/27/06/38/186270638.db2.gz VCPAEPUAGQHVTJ-SFHVURJKSA-N 1 0 261.453 4.794 10 0 CJAERO C[NH2+][C@@H](CC1CCCC1)c1ccc2ccccc2c1 ZINC000109742504 186270751 /nfs/dbraw/zinc/27/07/51/186270751.db2.gz FBNDPTWPKQJOGM-SFHVURJKSA-N 1 0 253.389 4.681 10 0 CJAERO C[NH2+][C@H](CC1CCCC1)c1ccc2ccccc2c1 ZINC000109742506 186270893 /nfs/dbraw/zinc/27/08/93/186270893.db2.gz FBNDPTWPKQJOGM-GOSISDBHSA-N 1 0 253.389 4.681 10 0 CJAERO CCC[C@H]([NH2+]CC)C1(c2ccccc2)CCCCC1 ZINC000109747466 186270998 /nfs/dbraw/zinc/27/09/98/186270998.db2.gz PWUXTDMYXMFTLU-KRWDZBQOSA-N 1 0 259.437 4.667 10 0 CJAERO CCC[C@@H]([NH2+]CC)C1(c2ccccc2)CCCCC1 ZINC000109747468 186271061 /nfs/dbraw/zinc/27/10/61/186271061.db2.gz PWUXTDMYXMFTLU-QGZVFWFLSA-N 1 0 259.437 4.667 10 0 CJAERO CCC[NH2+][C@@H](CCC)C(CC)(CC)c1ccccc1 ZINC000109748229 186270461 /nfs/dbraw/zinc/27/04/61/186270461.db2.gz AWYYDRFMZIOCKO-KRWDZBQOSA-N 1 0 261.453 4.913 10 0 CJAERO CCC[NH2+][C@H](CCC)C(CC)(CC)c1ccccc1 ZINC000109748232 186270281 /nfs/dbraw/zinc/27/02/81/186270281.db2.gz AWYYDRFMZIOCKO-QGZVFWFLSA-N 1 0 261.453 4.913 10 0 CJAERO CCCCCCOc1ccc(Cl)cc1C[C@H]([NH3+])CC ZINC000109763888 186271923 /nfs/dbraw/zinc/27/19/23/186271923.db2.gz MVUNYKNFMLQYET-OAHLLOKOSA-N 1 0 283.843 4.579 10 0 CJAERO CCCCCCOc1ccc(Cl)cc1C[C@@H]([NH3+])CC ZINC000109763891 186271764 /nfs/dbraw/zinc/27/17/64/186271764.db2.gz MVUNYKNFMLQYET-HNNXBMFYSA-N 1 0 283.843 4.579 10 0 CJAERO CCCCc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000109774324 186272038 /nfs/dbraw/zinc/27/20/38/186272038.db2.gz NZVIVMHGFLKLRN-CQSZACIVSA-N 1 0 253.389 4.716 10 0 CJAERO CCCCc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000109774325 186272740 /nfs/dbraw/zinc/27/27/40/186272740.db2.gz NZVIVMHGFLKLRN-AWEZNQCLSA-N 1 0 253.389 4.716 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)c(C)c1 ZINC000109902426 186279204 /nfs/dbraw/zinc/27/92/04/186279204.db2.gz YOTWZMSFMGLTTG-JKSUJKDBSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCCC2)c(C)c1 ZINC000109902429 186278670 /nfs/dbraw/zinc/27/86/70/186278670.db2.gz YOTWZMSFMGLTTG-HOTGVXAUSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCCCC2)c(C)c1 ZINC000109902432 186278666 /nfs/dbraw/zinc/27/86/66/186278666.db2.gz YOTWZMSFMGLTTG-HZPDHXFCSA-N 1 0 259.437 4.923 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCCCC2)c(C)c1 ZINC000109902436 186279287 /nfs/dbraw/zinc/27/92/87/186279287.db2.gz YOTWZMSFMGLTTG-CVEARBPZSA-N 1 0 259.437 4.923 10 0 CJAERO Clc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)s1 ZINC000110058507 328031490 /nfs/dbraw/zinc/03/14/90/328031490.db2.gz BAFAWDFIAHBSTQ-ZDUSSCGKSA-N 1 0 298.238 4.832 10 0 CJAERO Clc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000110058509 328031676 /nfs/dbraw/zinc/03/16/76/328031676.db2.gz BAFAWDFIAHBSTQ-CYBMUJFWSA-N 1 0 298.238 4.832 10 0 CJAERO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1Cl ZINC000110058555 328031668 /nfs/dbraw/zinc/03/16/68/328031668.db2.gz PDSPMGIQNJNSBY-MRXNPFEDSA-N 1 0 292.209 4.771 10 0 CJAERO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Cl)c1 ZINC000110058591 328031718 /nfs/dbraw/zinc/03/17/18/328031718.db2.gz WEJYXQIIDLBWIT-MRXNPFEDSA-N 1 0 292.209 4.771 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000110058689 328031644 /nfs/dbraw/zinc/03/16/44/328031644.db2.gz OGJCWVQFCAQTKT-LJQANCHMSA-N 1 0 283.390 4.726 10 0 CJAERO CC(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000110058692 328031616 /nfs/dbraw/zinc/03/16/16/328031616.db2.gz OGJCWVQFCAQTKT-IBGZPJMESA-N 1 0 283.390 4.726 10 0 CJAERO CC[NH2+][C@H](C)c1cc(Cl)ccc1OCC1CCCC1 ZINC000110096392 186284543 /nfs/dbraw/zinc/28/45/43/186284543.db2.gz MSOOAZTZJISFTQ-GFCCVEGCSA-N 1 0 281.827 4.580 10 0 CJAERO CCCNc1cc(C)[nH+]c2ccc(C(C)(C)C)cc12 ZINC000110114089 186286513 /nfs/dbraw/zinc/28/65/13/186286513.db2.gz CSJWMGSTFIQBNW-UHFFFAOYSA-N 1 0 256.393 4.663 10 0 CJAERO CCCCCC[C@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000110181024 186288206 /nfs/dbraw/zinc/28/82/06/186288206.db2.gz LFPNZZAJGKRIPO-AWEZNQCLSA-N 1 0 298.268 4.537 10 0 CJAERO CCCCCC[C@@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000110181027 186287757 /nfs/dbraw/zinc/28/77/57/186287757.db2.gz LFPNZZAJGKRIPO-CQSZACIVSA-N 1 0 298.268 4.537 10 0 CJAERO CCCCC[C@@H](C[NH2+]CC)Cc1ccccc1Cl ZINC000110192564 186287900 /nfs/dbraw/zinc/28/79/00/186287900.db2.gz XTFKDDKKUZSGBM-CQSZACIVSA-N 1 0 267.844 4.689 10 0 CJAERO CC(C)C[NH2+]CC1(CC2CCCC2)CCCCC1 ZINC000110200938 186287884 /nfs/dbraw/zinc/28/78/84/186287884.db2.gz RJMVPIJMNAVUSA-UHFFFAOYSA-N 1 0 251.458 4.763 10 0 CJAERO CCC(C)(C)C1CCC2(C[C@@H]2C[NH2+]C(C)C)CC1 ZINC000110267396 186289568 /nfs/dbraw/zinc/28/95/68/186289568.db2.gz ZUZZJOBFGNHRFZ-ISXOHVOVSA-N 1 0 251.458 4.617 10 0 CJAERO CCC(C)(C)C1CCC2(C[C@H]2C[NH2+]C(C)C)CC1 ZINC000110267399 186289553 /nfs/dbraw/zinc/28/95/53/186289553.db2.gz ZUZZJOBFGNHRFZ-CKDBGZEDSA-N 1 0 251.458 4.617 10 0 CJAERO CCCCC[C@@H](Cc1ccc2ccccc2c1)[NH2+]C ZINC000110328684 186292568 /nfs/dbraw/zinc/29/25/68/186292568.db2.gz ZKIAZHNAOCQMCG-SFHVURJKSA-N 1 0 255.405 4.551 10 0 CJAERO CCCCC[C@H](Cc1ccc2ccccc2c1)[NH2+]C ZINC000110328687 186292107 /nfs/dbraw/zinc/29/21/07/186292107.db2.gz ZKIAZHNAOCQMCG-GOSISDBHSA-N 1 0 255.405 4.551 10 0 CJAERO CC[NH2+][C@@H](Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000110334463 567219961 /nfs/dbraw/zinc/21/99/61/567219961.db2.gz CZITZXDNDKTQQK-INIZCTEOSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@H](Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000110334466 567220416 /nfs/dbraw/zinc/22/04/16/567220416.db2.gz CZITZXDNDKTQQK-MRXNPFEDSA-N 1 0 294.225 4.887 10 0 CJAERO CC[NH2+][C@H](CC(C)C)C(CC)(CC)c1ccccc1 ZINC000110446734 186296346 /nfs/dbraw/zinc/29/63/46/186296346.db2.gz OELDADSFWJIVLQ-QGZVFWFLSA-N 1 0 261.453 4.769 10 0 CJAERO CC[NH2+][C@@H](CC(C)C)C(CC)(CC)c1ccccc1 ZINC000110446736 186296455 /nfs/dbraw/zinc/29/64/55/186296455.db2.gz OELDADSFWJIVLQ-KRWDZBQOSA-N 1 0 261.453 4.769 10 0 CJAERO CCCCCC[C@@](CC)(CCCC)C[NH2+]CCOC ZINC000110449600 186297006 /nfs/dbraw/zinc/29/70/06/186297006.db2.gz RSPXVUBWDIIJQY-QGZVFWFLSA-N 1 0 271.489 4.779 10 0 CJAERO CCCCCC[C@](CC)(CCCC)C[NH2+]CCOC ZINC000110449603 186297610 /nfs/dbraw/zinc/29/76/10/186297610.db2.gz RSPXVUBWDIIJQY-KRWDZBQOSA-N 1 0 271.489 4.779 10 0 CJAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1CCC(C)C ZINC000110462485 186297525 /nfs/dbraw/zinc/29/75/25/186297525.db2.gz CPSSWFFEEZHRRR-SQNIBIBYSA-N 1 0 259.437 4.595 10 0 CJAERO C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1CCC(C)C ZINC000110462491 186297005 /nfs/dbraw/zinc/29/70/05/186297005.db2.gz CPSSWFFEEZHRRR-BZSNNMDCSA-N 1 0 259.437 4.595 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C1CCCCC1 ZINC000110463664 186297309 /nfs/dbraw/zinc/29/73/09/186297309.db2.gz HVMFYAUXUNYCGU-SWLSCSKDSA-N 1 0 263.450 4.684 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C1CCCCC1 ZINC000110463667 186297289 /nfs/dbraw/zinc/29/72/89/186297289.db2.gz HVMFYAUXUNYCGU-IUODEOHRSA-N 1 0 263.450 4.684 10 0 CJAERO C[C@H]([NH2+][C@H]1CCCc2sccc21)C1CCCCC1 ZINC000110463668 186297078 /nfs/dbraw/zinc/29/70/78/186297078.db2.gz HVMFYAUXUNYCGU-WFASDCNBSA-N 1 0 263.450 4.684 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCCc2sccc21)C1CCCCC1 ZINC000110463671 186296953 /nfs/dbraw/zinc/29/69/53/186296953.db2.gz HVMFYAUXUNYCGU-DOMZBBRYSA-N 1 0 263.450 4.684 10 0 CJAERO CC(C)CC[C@]1(C[NH2+]C(C)(C)C)C[C@H]2CC[C@@H]1C2 ZINC000110465016 186297382 /nfs/dbraw/zinc/29/73/82/186297382.db2.gz VFIQHCOWGVBINZ-ZMSDIMECSA-N 1 0 251.458 4.617 10 0 CJAERO CC(C)CC[C@@]1(C[NH2+]C(C)(C)C)C[C@H]2CC[C@@H]1C2 ZINC000110465018 186297280 /nfs/dbraw/zinc/29/72/80/186297280.db2.gz VFIQHCOWGVBINZ-UXLLHSPISA-N 1 0 251.458 4.617 10 0 CJAERO CCC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CC(C)C ZINC000110518035 186300988 /nfs/dbraw/zinc/30/09/88/186300988.db2.gz PNSFTQUQEBIXPY-HRCADAONSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CC(C)C ZINC000110518037 186300818 /nfs/dbraw/zinc/30/08/18/186300818.db2.gz PNSFTQUQEBIXPY-JYJNAYRXSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CC(C)C ZINC000110518040 186301197 /nfs/dbraw/zinc/30/11/97/186301197.db2.gz PNSFTQUQEBIXPY-ARFHVFGLSA-N 1 0 253.474 4.863 10 0 CJAERO CCC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CC(C)C ZINC000110518043 186301033 /nfs/dbraw/zinc/30/10/33/186301033.db2.gz PNSFTQUQEBIXPY-XHSDSOJGSA-N 1 0 253.474 4.863 10 0 CJAERO CC[NH2+][C@@H](CCC(C)C)C1(c2ccccc2)CCC1 ZINC000110518518 186300975 /nfs/dbraw/zinc/30/09/75/186300975.db2.gz WYJQUCLGLMGSEN-KRWDZBQOSA-N 1 0 259.437 4.523 10 0 CJAERO CC[NH2+][C@H](CCC(C)C)C1(c2ccccc2)CCC1 ZINC000110518520 186300724 /nfs/dbraw/zinc/30/07/24/186300724.db2.gz WYJQUCLGLMGSEN-QGZVFWFLSA-N 1 0 259.437 4.523 10 0 CJAERO CCCCC[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCC ZINC000110915670 186332196 /nfs/dbraw/zinc/33/21/96/186332196.db2.gz ZRMUILCXPKFTTL-SJLPKXTDSA-N 1 0 259.437 4.870 10 0 CJAERO CCCCC[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCC ZINC000110915672 186332643 /nfs/dbraw/zinc/33/26/43/186332643.db2.gz ZRMUILCXPKFTTL-FUHWJXTLSA-N 1 0 259.437 4.870 10 0 CJAERO CCCCC[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCC ZINC000110915676 186332433 /nfs/dbraw/zinc/33/24/33/186332433.db2.gz ZRMUILCXPKFTTL-AEFFLSMTSA-N 1 0 259.437 4.870 10 0 CJAERO CCCCC[C@H]1CCc2ccccc2[C@H]1[NH2+]CCC ZINC000110915681 186332441 /nfs/dbraw/zinc/33/24/41/186332441.db2.gz ZRMUILCXPKFTTL-WMZOPIPTSA-N 1 0 259.437 4.870 10 0 CJAERO Fc1ccc(F)c(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000111233205 328336791 /nfs/dbraw/zinc/33/67/91/328336791.db2.gz VGALJXYNKSJNLF-SFHVURJKSA-N 1 0 287.353 4.522 10 0 CJAERO Fc1ccc(F)c(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000111233206 328336888 /nfs/dbraw/zinc/33/68/88/328336888.db2.gz VGALJXYNKSJNLF-GOSISDBHSA-N 1 0 287.353 4.522 10 0 CJAERO Cc1cc(C[NH3+])ccc1Sc1ccc(C(C)C)cc1 ZINC000111235609 186372731 /nfs/dbraw/zinc/37/27/31/186372731.db2.gz PMRXCNWZRLIODA-UHFFFAOYSA-N 1 0 271.429 4.728 10 0 CJAERO CC(C)(C)[NH2+]CC(C)(C)Cc1csc2ccccc12 ZINC000111314632 186395580 /nfs/dbraw/zinc/39/55/80/186395580.db2.gz GJRNIJHBTKWFOS-UHFFFAOYSA-N 1 0 275.461 4.858 10 0 CJAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111763225 328377188 /nfs/dbraw/zinc/37/71/88/328377188.db2.gz RBGOOLYQDGKPIX-OAHLLOKOSA-N 1 0 270.420 4.539 10 0 CJAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111763227 328377106 /nfs/dbraw/zinc/37/71/06/328377106.db2.gz RBGOOLYQDGKPIX-HNNXBMFYSA-N 1 0 270.420 4.539 10 0 CJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccnc2ccccc12 ZINC000111763250 328377110 /nfs/dbraw/zinc/37/71/10/328377110.db2.gz KQMUONJHPMDPBA-OAHLLOKOSA-N 1 0 270.420 4.541 10 0 CJAERO CCCC[C@H](CC)C[NH2+]Cc1ccnc2ccccc12 ZINC000111763252 328377134 /nfs/dbraw/zinc/37/71/34/328377134.db2.gz KQMUONJHPMDPBA-HNNXBMFYSA-N 1 0 270.420 4.541 10 0 CJAERO CC[NH2+][C@@H](CCC(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000112898220 186539826 /nfs/dbraw/zinc/53/98/26/186539826.db2.gz SFFLUNXGRROFMG-LESVLKBLSA-N 1 0 263.469 4.617 10 0 CJAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000113650430 328628575 /nfs/dbraw/zinc/62/85/75/328628575.db2.gz JCAAIJPZEGFOQH-FUHWJXTLSA-N 1 0 282.431 4.539 10 0 CJAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000113650432 328628581 /nfs/dbraw/zinc/62/85/81/328628581.db2.gz JCAAIJPZEGFOQH-SJLPKXTDSA-N 1 0 282.431 4.539 10 0 CJAERO COc1ccc2oc(C[NH2+][C@H](C)c3ccccc3C)cc2c1 ZINC000122924345 330432351 /nfs/dbraw/zinc/43/23/51/330432351.db2.gz FTAIZJLRWKUZKX-CQSZACIVSA-N 1 0 295.382 4.601 10 0 CJAERO COc1ccc2oc(C[NH2+][C@@H](C)c3ccccc3C)cc2c1 ZINC000122924605 330432440 /nfs/dbraw/zinc/43/24/40/330432440.db2.gz FTAIZJLRWKUZKX-AWEZNQCLSA-N 1 0 295.382 4.601 10 0 CJAERO Cc1oc2ccccc2c1C[NH2+][C@H]1CCc2ccccc21 ZINC000123217014 330457504 /nfs/dbraw/zinc/45/75/04/330457504.db2.gz YDKZKMYXFQLYSY-SFHVURJKSA-N 1 0 277.367 4.518 10 0 CJAERO CC[C@H]([NH2+]Cc1cccc(F)c1Cl)c1ccccc1 ZINC000124382649 326889394 /nfs/dbraw/zinc/88/93/94/326889394.db2.gz GTEKKCRAFUKMRB-HNNXBMFYSA-N 1 0 277.770 4.720 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000125063585 328363611 /nfs/dbraw/zinc/36/36/11/328363611.db2.gz CLJMVEOCEHUUQQ-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000125063815 328363650 /nfs/dbraw/zinc/36/36/50/328363650.db2.gz CLJMVEOCEHUUQQ-LBPRGKRZSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000125088857 333563677 /nfs/dbraw/zinc/56/36/77/333563677.db2.gz MNDUPTAAOAXTAU-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000125089118 328374269 /nfs/dbraw/zinc/37/42/69/328374269.db2.gz MNDUPTAAOAXTAU-LBPRGKRZSA-N 1 0 277.770 4.638 10 0 CJAERO CC[C@H]([NH2+]Cc1cc(Cl)ccc1F)c1ccccc1 ZINC000125306524 330352873 /nfs/dbraw/zinc/35/28/73/330352873.db2.gz GDDREFCLSONEQV-INIZCTEOSA-N 1 0 277.770 4.720 10 0 CJAERO Cc1cc(NCCCCC(F)(F)F)c2ccccc2[nH+]1 ZINC000125844685 260343934 /nfs/dbraw/zinc/34/39/34/260343934.db2.gz PSQXMFUBOAOACA-UHFFFAOYSA-N 1 0 282.309 4.688 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)c3ccccc32)o1 ZINC000126459831 260352212 /nfs/dbraw/zinc/35/22/12/260352212.db2.gz GIZGDHKZBHYIDA-RVSPLBMKSA-N 1 0 269.388 4.877 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)c3ccccc32)o1 ZINC000126460173 260352102 /nfs/dbraw/zinc/35/21/02/260352102.db2.gz GIZGDHKZBHYIDA-JDFRZJQESA-N 1 0 269.388 4.877 10 0 CJAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000126641485 260355475 /nfs/dbraw/zinc/35/54/75/260355475.db2.gz IRVKCBFELVRMBX-XIKOKIGWSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000126641697 260355620 /nfs/dbraw/zinc/35/56/20/260355620.db2.gz IRVKCBFELVRMBX-SGTLLEGYSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000126641955 260355685 /nfs/dbraw/zinc/35/56/85/260355685.db2.gz IRVKCBFELVRMBX-KZULUSFZSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000126642201 260355181 /nfs/dbraw/zinc/35/51/81/260355181.db2.gz IRVKCBFELVRMBX-KPZWWZAWSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000126709366 260356183 /nfs/dbraw/zinc/35/61/83/260356183.db2.gz UWRRRABXHWITAJ-XIKOKIGWSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000126709550 260356226 /nfs/dbraw/zinc/35/62/26/260356226.db2.gz UWRRRABXHWITAJ-SGTLLEGYSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000126709778 260356381 /nfs/dbraw/zinc/35/63/81/260356381.db2.gz UWRRRABXHWITAJ-KZULUSFZSA-N 1 0 287.353 4.693 10 0 CJAERO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000126710029 260356336 /nfs/dbraw/zinc/35/63/36/260356336.db2.gz UWRRRABXHWITAJ-KPZWWZAWSA-N 1 0 287.353 4.693 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)nc1 ZINC000126936987 333614181 /nfs/dbraw/zinc/61/41/81/333614181.db2.gz ODKMVTRXDSOJNS-NSHDSACASA-N 1 0 295.213 4.548 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccccc1F ZINC000127334991 333627024 /nfs/dbraw/zinc/62/70/24/333627024.db2.gz QLCKYQBFMDUFAM-KBXCAEBGSA-N 1 0 271.379 4.936 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000127542337 333631117 /nfs/dbraw/zinc/63/11/17/333631117.db2.gz VNWQUMNTXLBACR-FZKQIMNGSA-N 1 0 285.818 4.987 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000127542825 333631199 /nfs/dbraw/zinc/63/11/99/333631199.db2.gz VNWQUMNTXLBACR-SCLBCKFNSA-N 1 0 285.818 4.987 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000127543033 333631383 /nfs/dbraw/zinc/63/13/83/333631383.db2.gz VNWQUMNTXLBACR-UGSOOPFHSA-N 1 0 285.818 4.987 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1 ZINC000128938099 333728943 /nfs/dbraw/zinc/72/89/43/333728943.db2.gz MIKRMRFEKQETMZ-RHSMWYFYSA-N 1 0 281.399 4.640 10 0 CJAERO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1ccccc1 ZINC000128938533 333728919 /nfs/dbraw/zinc/72/89/19/333728919.db2.gz MIKRMRFEKQETMZ-PBHICJAKSA-N 1 0 281.399 4.640 10 0 CJAERO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1cccs1 ZINC000128945675 518183398 /nfs/dbraw/zinc/18/33/98/518183398.db2.gz OODOBVZPNAPYJX-GXTWGEPZSA-N 1 0 287.428 4.701 10 0 CJAERO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1cccs1 ZINC000128946113 333730019 /nfs/dbraw/zinc/73/00/19/333730019.db2.gz OODOBVZPNAPYJX-JSGCOSHPSA-N 1 0 287.428 4.701 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)o1 ZINC000128952629 327154982 /nfs/dbraw/zinc/15/49/82/327154982.db2.gz BKFWZIINBKBMDQ-UKRRQHHQSA-N 1 0 285.387 4.541 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)o1 ZINC000128952814 327154987 /nfs/dbraw/zinc/15/49/87/327154987.db2.gz BKFWZIINBKBMDQ-DZGCQCFKSA-N 1 0 285.387 4.541 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccccc32)o1 ZINC000128953043 327154966 /nfs/dbraw/zinc/15/49/66/327154966.db2.gz BKFWZIINBKBMDQ-HIFRSBDPSA-N 1 0 285.387 4.541 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccccc32)o1 ZINC000128953262 327154761 /nfs/dbraw/zinc/15/47/61/327154761.db2.gz BKFWZIINBKBMDQ-ZFWWWQNUSA-N 1 0 285.387 4.541 10 0 CJAERO Cc1oncc1C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000129686070 333788048 /nfs/dbraw/zinc/78/80/48/333788048.db2.gz AXDKIEOHIAJPBZ-CQSZACIVSA-N 1 0 292.382 4.501 10 0 CJAERO Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000129870751 333797228 /nfs/dbraw/zinc/79/72/28/333797228.db2.gz IJLLHCONKIWYHX-ZWKOTPCHSA-N 1 0 283.802 4.604 10 0 CJAERO Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000129871124 333797176 /nfs/dbraw/zinc/79/71/76/333797176.db2.gz IJLLHCONKIWYHX-ROUUACIJSA-N 1 0 283.802 4.604 10 0 CJAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ccsc1 ZINC000130158200 333820013 /nfs/dbraw/zinc/82/00/13/333820013.db2.gz UXLMKSQGHGLCSL-MRXNPFEDSA-N 1 0 271.429 4.551 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)Sc3sccc32)o1 ZINC000130221884 525743879 /nfs/dbraw/zinc/74/38/79/525743879.db2.gz HUYCGZJJZJSZLL-DMDPSCGWSA-N 1 0 293.457 4.926 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)Sc3sccc32)o1 ZINC000130222138 525940798 /nfs/dbraw/zinc/94/07/98/525940798.db2.gz HUYCGZJJZJSZLL-GMXVVIOVSA-N 1 0 293.457 4.926 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)Sc3sccc32)o1 ZINC000130222332 525748953 /nfs/dbraw/zinc/74/89/53/525748953.db2.gz HUYCGZJJZJSZLL-LOWVWBTDSA-N 1 0 293.457 4.926 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)Sc3sccc32)o1 ZINC000130222546 525948198 /nfs/dbraw/zinc/94/81/98/525948198.db2.gz HUYCGZJJZJSZLL-GVXVVHGQSA-N 1 0 293.457 4.926 10 0 CJAERO C[C@H]([NH2+]C1CCSCC1)c1ccc(-c2ccccc2)cc1 ZINC000130692674 333867767 /nfs/dbraw/zinc/86/77/67/333867767.db2.gz XWYUXMUSHFXSSL-HNNXBMFYSA-N 1 0 297.467 4.900 10 0 CJAERO C[C@@H]([NH2+]C1CCSCC1)c1ccc(-c2ccccc2)cc1 ZINC000130692863 333867744 /nfs/dbraw/zinc/86/77/44/333867744.db2.gz XWYUXMUSHFXSSL-OAHLLOKOSA-N 1 0 297.467 4.900 10 0 CJAERO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000135129873 334116950 /nfs/dbraw/zinc/11/69/50/334116950.db2.gz OLQJMNFSWTYMJO-HNNXBMFYSA-N 1 0 271.404 4.637 10 0 CJAERO Cc1ccoc1C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000135129892 334117060 /nfs/dbraw/zinc/11/70/60/334117060.db2.gz OLQJMNFSWTYMJO-OAHLLOKOSA-N 1 0 271.404 4.637 10 0 CJAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccco1 ZINC000136974512 334166388 /nfs/dbraw/zinc/16/63/88/334166388.db2.gz BMWLFISDFWRJHY-WWGRRREGSA-N 1 0 255.361 4.569 10 0 CJAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ccco1 ZINC000136974570 334166431 /nfs/dbraw/zinc/16/64/31/334166431.db2.gz BMWLFISDFWRJHY-DVOMOZLQSA-N 1 0 255.361 4.569 10 0 CJAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccco1 ZINC000136974633 334166425 /nfs/dbraw/zinc/16/64/25/334166425.db2.gz BMWLFISDFWRJHY-IOASZLSFSA-N 1 0 255.361 4.569 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ccco1 ZINC000136974716 334166332 /nfs/dbraw/zinc/16/63/32/334166332.db2.gz BMWLFISDFWRJHY-XJKCOSOUSA-N 1 0 255.361 4.569 10 0 CJAERO C[NH2+][C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000141758962 187910216 /nfs/dbraw/zinc/91/02/16/187910216.db2.gz MEXOIGUXVRYUOT-VAMGGRTRSA-N 1 0 285.475 4.792 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000147690612 260766473 /nfs/dbraw/zinc/76/64/73/260766473.db2.gz WYDMDZCMRXMFQE-ZIAGYGMSSA-N 1 0 286.394 4.756 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000147702024 260777662 /nfs/dbraw/zinc/77/76/62/260777662.db2.gz UQUJGEQBYJHFNB-ZKYQVNSYSA-N 1 0 289.316 4.597 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000147702196 330527204 /nfs/dbraw/zinc/52/72/04/330527204.db2.gz UQUJGEQBYJHFNB-SUHUHFCYSA-N 1 0 289.316 4.597 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(Cl)s1 ZINC000149487507 329183215 /nfs/dbraw/zinc/18/32/15/329183215.db2.gz IGGLTVFNVSJYHY-RNCFNFMXSA-N 1 0 295.810 4.879 10 0 CJAERO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)s1 ZINC000153170519 334564858 /nfs/dbraw/zinc/56/48/58/334564858.db2.gz CGCSHLUXIAVEEW-QWHCGFSZSA-N 1 0 288.460 4.734 10 0 CJAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccccc2C)s1 ZINC000153170622 334565175 /nfs/dbraw/zinc/56/51/75/334565175.db2.gz CGCSHLUXIAVEEW-STQMWFEESA-N 1 0 288.460 4.734 10 0 CJAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccccc2C)s1 ZINC000153170704 334565227 /nfs/dbraw/zinc/56/52/27/334565227.db2.gz CGCSHLUXIAVEEW-CHWSQXEVSA-N 1 0 288.460 4.734 10 0 CJAERO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccccc2C)s1 ZINC000153170775 334565125 /nfs/dbraw/zinc/56/51/25/334565125.db2.gz CGCSHLUXIAVEEW-OLZOCXBDSA-N 1 0 288.460 4.734 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000153227010 334573809 /nfs/dbraw/zinc/57/38/09/334573809.db2.gz LCPGHARCRXYIIA-KBPBESRZSA-N 1 0 257.377 4.562 10 0 CJAERO c1csc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000156535032 334743796 /nfs/dbraw/zinc/74/37/96/334743796.db2.gz HMPKHZLAIAGVTG-MRXNPFEDSA-N 1 0 299.439 4.674 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]Cc2c(C)cc(C)cc2C)c1 ZINC000157179726 330769390 /nfs/dbraw/zinc/76/93/90/330769390.db2.gz JHBQGOKXJAKOQM-QGZVFWFLSA-N 1 0 267.416 4.771 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]C2CC(c3ccccc3F)C2)c1 ZINC000157191294 330770403 /nfs/dbraw/zinc/77/04/03/330770403.db2.gz ZINGCAINSWXNSX-ODIFPOPNSA-N 1 0 283.390 4.731 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000157196480 330770482 /nfs/dbraw/zinc/77/04/82/330770482.db2.gz QOEBPZQGWWQCOD-CVEARBPZSA-N 1 0 279.427 4.896 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000157218121 330771351 /nfs/dbraw/zinc/77/13/51/330771351.db2.gz LWRMIYKONBOPGR-VNCLNFNDSA-N 1 0 265.400 4.592 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]C2CC(c3ccc(F)cc3)C2)c1 ZINC000157220390 264239122 /nfs/dbraw/zinc/23/91/22/264239122.db2.gz PHLPDAOCLVZYES-ZCGYKAAXSA-N 1 0 283.390 4.731 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2c(C)cc(C)cc2C)c1 ZINC000157234600 261142834 /nfs/dbraw/zinc/14/28/34/261142834.db2.gz JHBQGOKXJAKOQM-KRWDZBQOSA-N 1 0 267.416 4.771 10 0 CJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c(F)c1 ZINC000157237973 334764426 /nfs/dbraw/zinc/76/44/26/334764426.db2.gz UUTZNOLRZMWLGR-UONOGXRCSA-N 1 0 287.378 4.555 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000157238605 264253529 /nfs/dbraw/zinc/25/35/29/264253529.db2.gz OAVJOLBAYVKIPL-NWANDNLSSA-N 1 0 285.353 4.767 10 0 CJAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000157238768 264255967 /nfs/dbraw/zinc/25/59/67/264255967.db2.gz OAVJOLBAYVKIPL-CFVMTHIKSA-N 1 0 285.353 4.767 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]C2CC(c3ccccc3F)C2)c1 ZINC000157245144 330771989 /nfs/dbraw/zinc/77/19/89/330771989.db2.gz ZINGCAINSWXNSX-OOHWJJMZSA-N 1 0 283.390 4.731 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)c1 ZINC000157253959 334764984 /nfs/dbraw/zinc/76/49/84/334764984.db2.gz ZVTGRCJFUKJZET-ZDUSSCGKSA-N 1 0 288.460 4.600 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]C2CC(c3ccc(F)cc3)C2)c1 ZINC000157272400 330772367 /nfs/dbraw/zinc/77/23/67/330772367.db2.gz PHLPDAOCLVZYES-STJZUHDESA-N 1 0 283.390 4.731 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccc(F)cc1 ZINC000157275195 334765730 /nfs/dbraw/zinc/76/57/30/334765730.db2.gz UHQYSNDVTGVSBT-KBXCAEBGSA-N 1 0 271.379 4.936 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2Cl)cc1F ZINC000157998181 327533317 /nfs/dbraw/zinc/53/33/17/327533317.db2.gz ZHEREMHBFIIVOS-NSHDSACASA-N 1 0 295.760 4.777 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccc(OC)cc1 ZINC000158103155 334792347 /nfs/dbraw/zinc/79/23/47/334792347.db2.gz SXRDRBGVXUWKRL-YOEHRIQHSA-N 1 0 287.403 4.789 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccc(OC)cc1 ZINC000158103295 334792201 /nfs/dbraw/zinc/79/22/01/334792201.db2.gz SXRDRBGVXUWKRL-WMLDXEAASA-N 1 0 287.403 4.789 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2sc(C(C)C)nc2C)o1 ZINC000158113024 261158247 /nfs/dbraw/zinc/15/82/47/261158247.db2.gz KNUJWQOFPPVGJD-NEPJUHHUSA-N 1 0 292.448 4.888 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2sc(C(C)C)nc2C)o1 ZINC000158113190 261158771 /nfs/dbraw/zinc/15/87/71/261158771.db2.gz KNUJWQOFPPVGJD-RYUDHWBXSA-N 1 0 292.448 4.888 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2sc(C(C)C)nc2C)o1 ZINC000158113322 261158311 /nfs/dbraw/zinc/15/83/11/261158311.db2.gz KNUJWQOFPPVGJD-VXGBXAGGSA-N 1 0 292.448 4.888 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2sc(C(C)C)nc2C)o1 ZINC000158113472 261158591 /nfs/dbraw/zinc/15/85/91/261158591.db2.gz KNUJWQOFPPVGJD-NWDGAFQWSA-N 1 0 292.448 4.888 10 0 CJAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160141603 327657197 /nfs/dbraw/zinc/65/71/97/327657197.db2.gz JIOVBXFUWLLTSZ-ZIAGYGMSSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2cc(Cl)cs2)c1 ZINC000160208209 327601651 /nfs/dbraw/zinc/60/16/51/327601651.db2.gz HZIZTQLIFRXHQO-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000160681370 261222716 /nfs/dbraw/zinc/22/27/16/261222716.db2.gz ICPPZEUKHFARQT-HBNTYKKESA-N 1 0 277.355 4.520 10 0 CJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000160681503 261222158 /nfs/dbraw/zinc/22/21/58/261222158.db2.gz ICPPZEUKHFARQT-AXFHLTTASA-N 1 0 277.355 4.520 10 0 CJAERO Cc1cc(N[C@@H](C)c2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000162713482 330952519 /nfs/dbraw/zinc/95/25/19/330952519.db2.gz QKMTWCQQWDBHSV-JTQLQIEISA-N 1 0 281.186 4.870 10 0 CJAERO Cc1ccccc1[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000166140054 331306673 /nfs/dbraw/zinc/30/66/73/331306673.db2.gz FNIJXPODXBAONU-LJQANCHMSA-N 1 0 297.467 4.570 10 0 CJAERO Cc1ccccc1[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000166140168 331306704 /nfs/dbraw/zinc/30/67/04/331306704.db2.gz FNIJXPODXBAONU-IBGZPJMESA-N 1 0 297.467 4.570 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)c1cccc(F)c1 ZINC000166418229 331307206 /nfs/dbraw/zinc/30/72/06/331307206.db2.gz MMZPSFKFHYUWSB-GUYCJALGSA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1cccc(F)c1 ZINC000166418349 331307123 /nfs/dbraw/zinc/30/71/23/331307123.db2.gz MMZPSFKFHYUWSB-SUMWQHHRSA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)c1cccc(F)c1 ZINC000166418469 331307240 /nfs/dbraw/zinc/30/72/40/331307240.db2.gz MMZPSFKFHYUWSB-DYVFJYSZSA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)c1cccc(F)c1 ZINC000166418574 331307132 /nfs/dbraw/zinc/30/71/32/331307132.db2.gz MMZPSFKFHYUWSB-CXAGYDPISA-N 1 0 287.378 4.636 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1cccc(F)c1 ZINC000166425102 331307250 /nfs/dbraw/zinc/30/72/50/331307250.db2.gz CMHNOUZYUAASBI-KSSFIOAISA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1cccc(F)c1 ZINC000166425214 331307136 /nfs/dbraw/zinc/30/71/36/331307136.db2.gz CMHNOUZYUAASBI-KBXCAEBGSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccccc1C)c1cccc(F)c1 ZINC000166425321 331307120 /nfs/dbraw/zinc/30/71/20/331307120.db2.gz CMHNOUZYUAASBI-KDOFPFPSSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)c1cccc(F)c1 ZINC000166425434 331307172 /nfs/dbraw/zinc/30/71/72/331307172.db2.gz CMHNOUZYUAASBI-RDTXWAMCSA-N 1 0 271.379 4.936 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000166427484 331307191 /nfs/dbraw/zinc/30/71/91/331307191.db2.gz RPDPERLTTBHJAE-ZWKOTPCHSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000166427597 331307151 /nfs/dbraw/zinc/30/71/51/331307151.db2.gz RPDPERLTTBHJAE-QZTJIDSGSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000166427718 331307169 /nfs/dbraw/zinc/30/71/69/331307169.db2.gz RPDPERLTTBHJAE-ROUUACIJSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000166427837 331307149 /nfs/dbraw/zinc/30/71/49/331307149.db2.gz RPDPERLTTBHJAE-MSOLQXFVSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1cccc(F)c1 ZINC000166436560 329580356 /nfs/dbraw/zinc/58/03/56/329580356.db2.gz IIYYCEWNSFRAHY-FZMZJTMJSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(F)c1 ZINC000166436670 331307193 /nfs/dbraw/zinc/30/71/93/331307193.db2.gz IIYYCEWNSFRAHY-SMDDNHRTSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1cccc(F)c1 ZINC000166436794 331307155 /nfs/dbraw/zinc/30/71/55/331307155.db2.gz IIYYCEWNSFRAHY-RISCZKNCSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1cccc(F)c1 ZINC000166436898 331307245 /nfs/dbraw/zinc/30/72/45/331307245.db2.gz IIYYCEWNSFRAHY-BXUZGUMPSA-N 1 0 263.381 4.689 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000166465755 331307288 /nfs/dbraw/zinc/30/72/88/331307288.db2.gz LMOAJZOKKOPOFV-GTNSWQLSSA-N 1 0 293.332 4.906 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000166465862 331307330 /nfs/dbraw/zinc/30/73/30/331307330.db2.gz LMOAJZOKKOPOFV-APPDUMDISA-N 1 0 293.332 4.906 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000166465969 331307290 /nfs/dbraw/zinc/30/72/90/331307290.db2.gz LMOAJZOKKOPOFV-DIFFPNOSSA-N 1 0 293.332 4.906 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000166466091 331307316 /nfs/dbraw/zinc/30/73/16/331307316.db2.gz LMOAJZOKKOPOFV-PIGZYNQJSA-N 1 0 293.332 4.906 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc(F)c1 ZINC000166470035 331307280 /nfs/dbraw/zinc/30/72/80/331307280.db2.gz WDFTURLEMASSMX-WFASDCNBSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc(F)c1 ZINC000166470153 331307292 /nfs/dbraw/zinc/30/72/92/331307292.db2.gz WDFTURLEMASSMX-SWLSCSKDSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc(F)c1 ZINC000166470272 331307298 /nfs/dbraw/zinc/30/72/98/331307298.db2.gz WDFTURLEMASSMX-DOMZBBRYSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc(F)c1 ZINC000166470387 331307325 /nfs/dbraw/zinc/30/73/25/331307325.db2.gz WDFTURLEMASSMX-IUODEOHRSA-N 1 0 261.340 4.529 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1F ZINC000168750404 260908901 /nfs/dbraw/zinc/90/89/01/260908901.db2.gz AMGWCQPALHKPDY-QZTJIDSGSA-N 1 0 269.363 4.554 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1F ZINC000168750575 260909009 /nfs/dbraw/zinc/90/90/09/260909009.db2.gz AMGWCQPALHKPDY-MSOLQXFVSA-N 1 0 269.363 4.554 10 0 CJAERO Cc1cccc(C(C)(C)[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000174409801 335153955 /nfs/dbraw/zinc/15/39/55/335153955.db2.gz VSLJJBVMLXSJDF-UHFFFAOYSA-N 1 0 290.410 4.568 10 0 CJAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccncc2Cl)cc1 ZINC000174809877 333007804 /nfs/dbraw/zinc/00/78/04/333007804.db2.gz ZNVCXVURZNJCIE-CYBMUJFWSA-N 1 0 288.822 4.709 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccncc2Cl)cc1 ZINC000174809885 333007701 /nfs/dbraw/zinc/00/77/01/333007701.db2.gz ZNVCXVURZNJCIE-ZDUSSCGKSA-N 1 0 288.822 4.709 10 0 CJAERO CC(C)n1ccnc1CS[C@@H]1CCc2ccc(F)cc21 ZINC000175302796 261220778 /nfs/dbraw/zinc/22/07/78/261220778.db2.gz BIFJAJLMHYIKQW-OAHLLOKOSA-N 1 0 290.407 4.524 10 0 CJAERO CC(C)n1ccnc1CS[C@H]1CCc2ccc(F)cc21 ZINC000175302816 261220641 /nfs/dbraw/zinc/22/06/41/261220641.db2.gz BIFJAJLMHYIKQW-HNNXBMFYSA-N 1 0 290.407 4.524 10 0 CJAERO Cc1nc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)sc1C ZINC000177690365 333061745 /nfs/dbraw/zinc/06/17/45/333061745.db2.gz GECJYOWWFLIKHZ-ZDUSSCGKSA-N 1 0 288.460 4.734 10 0 CJAERO Cc1nc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)sc1C ZINC000177690374 333061772 /nfs/dbraw/zinc/06/17/72/333061772.db2.gz GECJYOWWFLIKHZ-CYBMUJFWSA-N 1 0 288.460 4.734 10 0 CJAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc2O1 ZINC000178000624 261373766 /nfs/dbraw/zinc/37/37/66/261373766.db2.gz DXLLPSZZXNLDCY-CVEARBPZSA-N 1 0 297.398 4.549 10 0 CJAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc2O1 ZINC000178000633 261373723 /nfs/dbraw/zinc/37/37/23/261373723.db2.gz DXLLPSZZXNLDCY-HZPDHXFCSA-N 1 0 297.398 4.549 10 0 CJAERO CC1(C)C[C@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2O1 ZINC000178000644 261374079 /nfs/dbraw/zinc/37/40/79/261374079.db2.gz DXLLPSZZXNLDCY-HOTGVXAUSA-N 1 0 297.398 4.549 10 0 CJAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2O1 ZINC000178000655 261373938 /nfs/dbraw/zinc/37/39/38/261373938.db2.gz DXLLPSZZXNLDCY-JKSUJKDBSA-N 1 0 297.398 4.549 10 0 CJAERO c1cc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)cs1 ZINC000178025919 329191767 /nfs/dbraw/zinc/19/17/67/329191767.db2.gz CPZNWUGLXBEKNY-MRXNPFEDSA-N 1 0 299.439 4.674 10 0 CJAERO c1cc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)cs1 ZINC000178025928 329191716 /nfs/dbraw/zinc/19/17/16/329191716.db2.gz CPZNWUGLXBEKNY-INIZCTEOSA-N 1 0 299.439 4.674 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178148088 333068526 /nfs/dbraw/zinc/06/85/26/333068526.db2.gz JAELTPLTWDLUQQ-CVEARBPZSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178148100 333068519 /nfs/dbraw/zinc/06/85/19/333068519.db2.gz JAELTPLTWDLUQQ-HOTGVXAUSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178148115 333068543 /nfs/dbraw/zinc/06/85/43/333068543.db2.gz JAELTPLTWDLUQQ-HZPDHXFCSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178148122 333068479 /nfs/dbraw/zinc/06/84/79/333068479.db2.gz JAELTPLTWDLUQQ-JKSUJKDBSA-N 1 0 290.410 4.955 10 0 CJAERO CCC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccc(OC)cc1 ZINC000178173613 333068940 /nfs/dbraw/zinc/06/89/40/333068940.db2.gz LFAHTLMCJKZINU-BBRMVZONSA-N 1 0 289.444 4.949 10 0 CJAERO CCC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(OC)cc1 ZINC000178173626 333068907 /nfs/dbraw/zinc/06/89/07/333068907.db2.gz LFAHTLMCJKZINU-XJKSGUPXSA-N 1 0 289.444 4.949 10 0 CJAERO CCC[C@H]([NH2+][C@H](C)c1cccs1)c1ccc(OC)cc1 ZINC000178173637 333068891 /nfs/dbraw/zinc/06/88/91/333068891.db2.gz LFAHTLMCJKZINU-CJNGLKHVSA-N 1 0 289.444 4.949 10 0 CJAERO CCC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccc(OC)cc1 ZINC000178173650 333068875 /nfs/dbraw/zinc/06/88/75/333068875.db2.gz LFAHTLMCJKZINU-CZUORRHYSA-N 1 0 289.444 4.949 10 0 CJAERO C[C@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)c1cccs1 ZINC000178174847 333068986 /nfs/dbraw/zinc/06/89/86/333068986.db2.gz KMICNERIWMACAU-WCQYABFASA-N 1 0 275.417 4.705 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)c1cccs1 ZINC000178174854 333068850 /nfs/dbraw/zinc/06/88/50/333068850.db2.gz KMICNERIWMACAU-DGCLKSJQSA-N 1 0 275.417 4.705 10 0 CJAERO C[C@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)c1cccs1 ZINC000178174864 333068883 /nfs/dbraw/zinc/06/88/83/333068883.db2.gz KMICNERIWMACAU-AAEUAGOBSA-N 1 0 275.417 4.705 10 0 CJAERO C[C@@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)c1cccs1 ZINC000178174870 333068900 /nfs/dbraw/zinc/06/89/00/333068900.db2.gz KMICNERIWMACAU-YPMHNXCESA-N 1 0 275.417 4.705 10 0 CJAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000178177758 333069081 /nfs/dbraw/zinc/06/90/81/333069081.db2.gz REEWAOLQXLIRKN-QWRGUYRKSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000178177770 333069101 /nfs/dbraw/zinc/06/91/01/333069101.db2.gz REEWAOLQXLIRKN-WDEREUQCSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000178177778 333069076 /nfs/dbraw/zinc/06/90/76/333069076.db2.gz REEWAOLQXLIRKN-MNOVXSKESA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000178177790 333069134 /nfs/dbraw/zinc/06/91/34/333069134.db2.gz REEWAOLQXLIRKN-GHMZBOCLSA-N 1 0 295.835 4.822 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1cccs1 ZINC000178178241 333069071 /nfs/dbraw/zinc/06/90/71/333069071.db2.gz HFKXFKGTTQEAFP-STQMWFEESA-N 1 0 282.412 4.708 10 0 CJAERO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000178215634 333069459 /nfs/dbraw/zinc/06/94/59/333069459.db2.gz KHTNSZWPFJYCRB-UNXYVOJBSA-N 1 0 291.382 4.767 10 0 CJAERO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000178215645 333069529 /nfs/dbraw/zinc/06/95/29/333069529.db2.gz KHTNSZWPFJYCRB-VOMCLLRMSA-N 1 0 291.382 4.767 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]CC2CCC(C(F)(F)F)CC2)o1 ZINC000178216328 333069548 /nfs/dbraw/zinc/06/95/48/333069548.db2.gz MBOYUUVZYPBAMF-PNESKVBLSA-N 1 0 289.341 4.607 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]CC2CCC(C(F)(F)F)CC2)o1 ZINC000178216340 333069610 /nfs/dbraw/zinc/06/96/10/333069610.db2.gz MBOYUUVZYPBAMF-HIFPTAJRSA-N 1 0 289.341 4.607 10 0 CJAERO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607902 329201295 /nfs/dbraw/zinc/20/12/95/329201295.db2.gz NRFZKOGUEFHGFS-JXFKEZNVSA-N 1 0 288.394 4.522 10 0 CJAERO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607910 329201446 /nfs/dbraw/zinc/20/14/46/329201446.db2.gz NRFZKOGUEFHGFS-UZLBHIALSA-N 1 0 288.394 4.522 10 0 CJAERO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607921 329201456 /nfs/dbraw/zinc/20/14/56/329201456.db2.gz NRFZKOGUEFHGFS-OXJNMPFZSA-N 1 0 288.394 4.522 10 0 CJAERO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607930 329201390 /nfs/dbraw/zinc/20/13/90/329201390.db2.gz NRFZKOGUEFHGFS-OXQOHEQNSA-N 1 0 288.394 4.522 10 0 CJAERO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178608044 329201422 /nfs/dbraw/zinc/20/14/22/329201422.db2.gz QFUIHAVOMMWEBP-KSSFIOAISA-N 1 0 294.423 4.583 10 0 CJAERO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178608049 329201363 /nfs/dbraw/zinc/20/13/63/329201363.db2.gz QFUIHAVOMMWEBP-KDOFPFPSSA-N 1 0 294.423 4.583 10 0 CJAERO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178608061 329201303 /nfs/dbraw/zinc/20/13/03/329201303.db2.gz QFUIHAVOMMWEBP-KBXCAEBGSA-N 1 0 294.423 4.583 10 0 CJAERO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178608076 329201326 /nfs/dbraw/zinc/20/13/26/329201326.db2.gz QFUIHAVOMMWEBP-RDTXWAMCSA-N 1 0 294.423 4.583 10 0 CJAERO C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613327 329201476 /nfs/dbraw/zinc/20/14/76/329201476.db2.gz PWXMMGDSZCANDS-KSSFIOAISA-N 1 0 294.423 4.583 10 0 CJAERO C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613333 329201418 /nfs/dbraw/zinc/20/14/18/329201418.db2.gz PWXMMGDSZCANDS-KDOFPFPSSA-N 1 0 294.423 4.583 10 0 CJAERO C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613343 329201355 /nfs/dbraw/zinc/20/13/55/329201355.db2.gz PWXMMGDSZCANDS-KBXCAEBGSA-N 1 0 294.423 4.583 10 0 CJAERO C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccsc1 ZINC000178613353 329201269 /nfs/dbraw/zinc/20/12/69/329201269.db2.gz PWXMMGDSZCANDS-RDTXWAMCSA-N 1 0 294.423 4.583 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)nc1 ZINC000179093732 327799121 /nfs/dbraw/zinc/79/91/21/327799121.db2.gz RCSVYTGSPKGGQG-QWRGUYRKSA-N 1 0 295.213 4.800 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)nc1 ZINC000179093755 327799281 /nfs/dbraw/zinc/79/92/81/327799281.db2.gz RCSVYTGSPKGGQG-WDEREUQCSA-N 1 0 295.213 4.800 10 0 CJAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000179392915 260046119 /nfs/dbraw/zinc/04/61/19/260046119.db2.gz AOGWIKWBOVTJDK-OLMNPRSZSA-N 1 0 293.410 4.657 10 0 CJAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000179392942 260046185 /nfs/dbraw/zinc/04/61/85/260046185.db2.gz AOGWIKWBOVTJDK-ZTFGCOKTSA-N 1 0 293.410 4.657 10 0 CJAERO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccoc1 ZINC000181369890 335759181 /nfs/dbraw/zinc/75/91/81/335759181.db2.gz NBCCEHCNEGALEN-WMLDXEAASA-N 1 0 297.398 4.767 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccoc1 ZINC000181369909 335759107 /nfs/dbraw/zinc/75/91/07/335759107.db2.gz NBCCEHCNEGALEN-RHSMWYFYSA-N 1 0 297.398 4.767 10 0 CJAERO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1ccoc1 ZINC000181369933 335759167 /nfs/dbraw/zinc/75/91/67/335759167.db2.gz NBCCEHCNEGALEN-YOEHRIQHSA-N 1 0 297.398 4.767 10 0 CJAERO FC(F)c1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000183947081 333123771 /nfs/dbraw/zinc/12/37/71/333123771.db2.gz KHGXXORLGHAEDT-AWEZNQCLSA-N 1 0 277.314 4.554 10 0 CJAERO FC(F)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000183947096 333123980 /nfs/dbraw/zinc/12/39/80/333123980.db2.gz KHGXXORLGHAEDT-CQSZACIVSA-N 1 0 277.314 4.554 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000184247960 333126119 /nfs/dbraw/zinc/12/61/19/333126119.db2.gz CWPRDZAUHZUZEK-JKSUJKDBSA-N 1 0 282.431 4.925 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)C)cc2)c1 ZINC000184247984 333126009 /nfs/dbraw/zinc/12/60/09/333126009.db2.gz CWPRDZAUHZUZEK-HOTGVXAUSA-N 1 0 282.431 4.925 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)c1 ZINC000184248003 333125938 /nfs/dbraw/zinc/12/59/38/333125938.db2.gz CWPRDZAUHZUZEK-HZPDHXFCSA-N 1 0 282.431 4.925 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(C(C)C)cc2)c1 ZINC000184248026 328171317 /nfs/dbraw/zinc/17/13/17/328171317.db2.gz CWPRDZAUHZUZEK-CVEARBPZSA-N 1 0 282.431 4.925 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000184252993 262014141 /nfs/dbraw/zinc/01/41/41/262014141.db2.gz IMHAIISQQCTGDZ-JKSUJKDBSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000184253014 262014433 /nfs/dbraw/zinc/01/44/33/262014433.db2.gz IMHAIISQQCTGDZ-HOTGVXAUSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000184253036 262014090 /nfs/dbraw/zinc/01/40/90/262014090.db2.gz IMHAIISQQCTGDZ-HZPDHXFCSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000184253052 262014119 /nfs/dbraw/zinc/01/41/19/262014119.db2.gz IMHAIISQQCTGDZ-CVEARBPZSA-N 1 0 290.410 4.955 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000184267634 333126222 /nfs/dbraw/zinc/12/62/22/333126222.db2.gz KCOHHBBKTNDGHZ-MNOVXSKESA-N 1 0 280.824 4.517 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000184267653 333126266 /nfs/dbraw/zinc/12/62/66/333126266.db2.gz KCOHHBBKTNDGHZ-QWRGUYRKSA-N 1 0 280.824 4.517 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000184267668 333126256 /nfs/dbraw/zinc/12/62/56/333126256.db2.gz KCOHHBBKTNDGHZ-GHMZBOCLSA-N 1 0 280.824 4.517 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000184267686 333126216 /nfs/dbraw/zinc/12/62/16/333126216.db2.gz KCOHHBBKTNDGHZ-WDEREUQCSA-N 1 0 280.824 4.517 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000184297332 333126868 /nfs/dbraw/zinc/12/68/68/333126868.db2.gz AGZFHEACJFYYLV-NWDGAFQWSA-N 1 0 292.785 4.594 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000184297390 333126857 /nfs/dbraw/zinc/12/68/57/333126857.db2.gz AGZFHEACJFYYLV-NEPJUHHUSA-N 1 0 292.785 4.594 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)c3ccccc32)c1 ZINC000184421185 262020151 /nfs/dbraw/zinc/02/01/51/262020151.db2.gz NBPKVGFYWLHGAO-YZVOILCLSA-N 1 0 280.415 4.679 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@H]2CC[C@H](C)c3ccccc32)c1 ZINC000184421221 262020111 /nfs/dbraw/zinc/02/01/11/262020111.db2.gz NBPKVGFYWLHGAO-DOXZYTNZSA-N 1 0 280.415 4.679 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2c3ccccc3CCC2(C)C)c1 ZINC000184451648 333128939 /nfs/dbraw/zinc/12/89/39/333128939.db2.gz WCDTVCZCWWPPGU-DNVCBOLYSA-N 1 0 294.442 4.754 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@@H]2c3ccccc3CCC2(C)C)c1 ZINC000184451665 333128864 /nfs/dbraw/zinc/12/88/64/333128864.db2.gz WCDTVCZCWWPPGU-HNAYVOBHSA-N 1 0 294.442 4.754 10 0 CJAERO Cc1cncc([C@@H](C)[NH2+][C@H]2c3ccccc3CCC2(C)C)c1 ZINC000184451683 333128917 /nfs/dbraw/zinc/12/89/17/333128917.db2.gz WCDTVCZCWWPPGU-BEFAXECRSA-N 1 0 294.442 4.754 10 0 CJAERO Cc1cncc([C@H](C)[NH2+][C@H]2c3ccccc3CCC2(C)C)c1 ZINC000184451703 333128909 /nfs/dbraw/zinc/12/89/09/333128909.db2.gz WCDTVCZCWWPPGU-KXBFYZLASA-N 1 0 294.442 4.754 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1cccs1 ZINC000184640525 333130835 /nfs/dbraw/zinc/13/08/35/333130835.db2.gz CDPKJVVJNQZAJK-UWVGGRQHSA-N 1 0 283.799 4.952 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(Cl)c1F ZINC000184640547 333130898 /nfs/dbraw/zinc/13/08/98/333130898.db2.gz CDPKJVVJNQZAJK-ZJUUUORDSA-N 1 0 283.799 4.952 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1cccs1 ZINC000184640566 333130983 /nfs/dbraw/zinc/13/09/83/333130983.db2.gz CDPKJVVJNQZAJK-VHSXEESVSA-N 1 0 283.799 4.952 10 0 CJAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1F)c1cccs1 ZINC000184640585 333130952 /nfs/dbraw/zinc/13/09/52/333130952.db2.gz CDPKJVVJNQZAJK-NXEZZACHSA-N 1 0 283.799 4.952 10 0 CJAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000186192707 260041233 /nfs/dbraw/zinc/04/12/33/260041233.db2.gz YXJXRRNTHQIVJP-RYUDHWBXSA-N 1 0 293.407 4.616 10 0 CJAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000186192744 333156377 /nfs/dbraw/zinc/15/63/77/333156377.db2.gz YXJXRRNTHQIVJP-NWDGAFQWSA-N 1 0 293.407 4.616 10 0 CJAERO C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(Cl)s1 ZINC000186967548 333166854 /nfs/dbraw/zinc/16/68/54/333166854.db2.gz PNHZZOGZPXLIKX-UWVGGRQHSA-N 1 0 289.897 4.584 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(Cl)s1 ZINC000186967567 333166775 /nfs/dbraw/zinc/16/67/75/333166775.db2.gz PNHZZOGZPXLIKX-VHSXEESVSA-N 1 0 289.897 4.584 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C1CCSCC1 ZINC000186967583 333166727 /nfs/dbraw/zinc/16/67/27/333166727.db2.gz PNHZZOGZPXLIKX-ZJUUUORDSA-N 1 0 289.897 4.584 10 0 CJAERO C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1ccc(Cl)s1 ZINC000186967601 333166900 /nfs/dbraw/zinc/16/69/00/333166900.db2.gz PNHZZOGZPXLIKX-NXEZZACHSA-N 1 0 289.897 4.584 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)c(C)n1 ZINC000187401804 333170317 /nfs/dbraw/zinc/17/03/17/333170317.db2.gz PJJDBCGUYWGSNU-HNNXBMFYSA-N 1 0 290.410 4.702 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2)c(C)n1 ZINC000187401821 333170219 /nfs/dbraw/zinc/17/02/19/333170219.db2.gz PJJDBCGUYWGSNU-OAHLLOKOSA-N 1 0 290.410 4.702 10 0 CJAERO Cc1ccc2cc(C[NH2+][C@H](C)c3ccccc3C)ccc2n1 ZINC000187635750 263262796 /nfs/dbraw/zinc/26/27/96/263262796.db2.gz LHRBQIFKBSOHJQ-MRXNPFEDSA-N 1 0 290.410 4.702 10 0 CJAERO Cc1ccc2cc(C[NH2+][C@@H](C)c3ccccc3C)ccc2n1 ZINC000187635771 263262963 /nfs/dbraw/zinc/26/29/63/263262963.db2.gz LHRBQIFKBSOHJQ-INIZCTEOSA-N 1 0 290.410 4.702 10 0 CJAERO CC(C)Oc1ccc(C[N+](C)(C)C2CCCC2)cc1Cl ZINC000189373045 717157533 /nfs/dbraw/zinc/15/75/33/717157533.db2.gz NZFBAVSIUOJACC-UHFFFAOYSA-N 1 0 296.862 4.646 10 0 CJAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189919195 264338866 /nfs/dbraw/zinc/33/88/66/264338866.db2.gz MPTNUQCECUXDLQ-BJRSVTDJSA-N 1 0 298.455 4.692 10 0 CJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1csc(Cl)c1 ZINC000191122376 533526503 /nfs/dbraw/zinc/52/65/03/533526503.db2.gz VBOSYHDBCWNBNQ-ZWNOBZJWSA-N 1 0 293.819 4.576 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192978363 333240912 /nfs/dbraw/zinc/24/09/12/333240912.db2.gz ZRSAVJCTGYTIFJ-CYBMUJFWSA-N 1 0 298.411 4.562 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192978373 333240857 /nfs/dbraw/zinc/24/08/57/333240857.db2.gz ZRSAVJCTGYTIFJ-ZDUSSCGKSA-N 1 0 298.411 4.562 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000192997946 333241190 /nfs/dbraw/zinc/24/11/90/333241190.db2.gz WVNYIUSAOQUNOR-DTWKUNHWSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000192997957 333241150 /nfs/dbraw/zinc/24/11/50/333241150.db2.gz WVNYIUSAOQUNOR-IUCAKERBSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000192997968 333241152 /nfs/dbraw/zinc/24/11/52/333241152.db2.gz WVNYIUSAOQUNOR-RKDXNWHRSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000192997979 333241239 /nfs/dbraw/zinc/24/12/39/333241239.db2.gz WVNYIUSAOQUNOR-BDAKNGLRSA-N 1 0 297.773 4.612 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)cc1Cl ZINC000193730997 262227106 /nfs/dbraw/zinc/22/71/06/262227106.db2.gz UZKYSFQBEKQOEB-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO Cc1ccc(C[NH2+][C@H](C)c2cccs2)cc1Cl ZINC000193731011 329061520 /nfs/dbraw/zinc/06/15/20/329061520.db2.gz UZKYSFQBEKQOEB-LLVKDONJSA-N 1 0 265.809 4.561 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000195614694 331178430 /nfs/dbraw/zinc/17/84/30/331178430.db2.gz RPTBNTFFMVQWMB-KFWWJZLASA-N 1 0 285.353 4.848 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000195614697 331178445 /nfs/dbraw/zinc/17/84/45/331178445.db2.gz RPTBNTFFMVQWMB-ILXRZTDVSA-N 1 0 285.353 4.848 10 0 CJAERO Cc1ccsc1C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000211855939 525862639 /nfs/dbraw/zinc/86/26/39/525862639.db2.gz ZFFMUNOUMOEOOI-BLLLJJGKSA-N 1 0 271.429 4.785 10 0 CJAERO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000215822232 327212441 /nfs/dbraw/zinc/21/24/41/327212441.db2.gz TYDPXUPVTVZEOE-UONOGXRCSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000215822280 327212590 /nfs/dbraw/zinc/21/25/90/327212590.db2.gz TYDPXUPVTVZEOE-KBPBESRZSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000215822324 327212517 /nfs/dbraw/zinc/21/25/17/327212517.db2.gz TYDPXUPVTVZEOE-ZIAGYGMSSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000215822372 327212578 /nfs/dbraw/zinc/21/25/78/327212578.db2.gz TYDPXUPVTVZEOE-KGLIPLIRSA-N 1 0 285.353 4.514 10 0 CJAERO Cc1cccc(C)c1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000215826514 327212421 /nfs/dbraw/zinc/21/24/21/327212421.db2.gz WNVSKMXAMDXEKV-UHFFFAOYSA-N 1 0 285.353 4.514 10 0 CJAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000219483144 333150977 /nfs/dbraw/zinc/15/09/77/333150977.db2.gz QTUILKQYKVIMFZ-LBPRGKRZSA-N 1 0 291.797 4.892 10 0 CJAERO CCc1ccc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000219483210 333151038 /nfs/dbraw/zinc/15/10/38/333151038.db2.gz QTUILKQYKVIMFZ-GFCCVEGCSA-N 1 0 291.797 4.892 10 0 CJAERO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1Cl ZINC000220544972 260129643 /nfs/dbraw/zinc/12/96/43/260129643.db2.gz ROYBRGBZOASQRH-JKEYDSJLSA-N 1 0 271.791 4.704 10 0 CJAERO C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000220545689 333167583 /nfs/dbraw/zinc/16/75/83/333167583.db2.gz KBBJXLGVVLOTCL-PODYEWJSSA-N 1 0 271.791 4.704 10 0 CJAERO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000220545753 260129601 /nfs/dbraw/zinc/12/96/01/260129601.db2.gz KBBJXLGVVLOTCL-BMWLXYDHSA-N 1 0 271.791 4.704 10 0 CJAERO C[C@H]([NH2+]C/C=C\c1ccccc1)c1ccc(Cl)s1 ZINC000220562034 333167578 /nfs/dbraw/zinc/16/75/78/333167578.db2.gz DCPASNVIDYQMCC-JECSTDCCSA-N 1 0 277.820 4.766 10 0 CJAERO C[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccc(Cl)s1 ZINC000220562115 333167425 /nfs/dbraw/zinc/16/74/25/333167425.db2.gz DCPASNVIDYQMCC-VVEJJEBESA-N 1 0 277.820 4.766 10 0 CJAERO CCC(C)(C)C1CCC([NH2+][C@@H](C)c2ncc(C)o2)CC1 ZINC000220895685 333170183 /nfs/dbraw/zinc/17/01/83/333170183.db2.gz SYNAKPQYPDVKOU-NFOMZHRRSA-N 1 0 278.440 4.629 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000221784254 262296253 /nfs/dbraw/zinc/29/62/53/262296253.db2.gz GIZGDHKZBHYIDA-HACGYAERSA-N 1 0 269.388 4.877 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000221784371 262296355 /nfs/dbraw/zinc/29/63/55/262296355.db2.gz GIZGDHKZBHYIDA-IFIJOSMWSA-N 1 0 269.388 4.877 10 0 CJAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222435467 333193559 /nfs/dbraw/zinc/19/35/59/333193559.db2.gz TXFSLXAUTWHGHV-NUEKZKHPSA-N 1 0 299.380 4.637 10 0 CJAERO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222435586 333193568 /nfs/dbraw/zinc/19/35/68/333193568.db2.gz TXFSLXAUTWHGHV-IMJJTQAJSA-N 1 0 299.380 4.637 10 0 CJAERO CCc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000223252902 333206102 /nfs/dbraw/zinc/20/61/02/333206102.db2.gz AFFUDWVVAURMIE-SFHVURJKSA-N 1 0 285.818 4.680 10 0 CJAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000223992620 333215080 /nfs/dbraw/zinc/21/50/80/333215080.db2.gz CBNVGZWDPHAKNM-INIZCTEOSA-N 1 0 267.416 4.717 10 0 CJAERO CCc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000223992675 333214882 /nfs/dbraw/zinc/21/48/82/333214882.db2.gz CBNVGZWDPHAKNM-MRXNPFEDSA-N 1 0 267.416 4.717 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224104551 333216398 /nfs/dbraw/zinc/21/63/98/333216398.db2.gz ADVOMXDBTKHYCR-YNEHKIRRSA-N 1 0 265.363 4.522 10 0 CJAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224104657 333216665 /nfs/dbraw/zinc/21/66/65/333216665.db2.gz ADVOMXDBTKHYCR-XQQFMLRXSA-N 1 0 265.363 4.522 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224108502 333216928 /nfs/dbraw/zinc/21/69/28/333216928.db2.gz ATFCHJJVZZUSOM-FVQBIDKESA-N 1 0 299.380 4.718 10 0 CJAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224108609 333216771 /nfs/dbraw/zinc/21/67/71/333216771.db2.gz ATFCHJJVZZUSOM-BMFZPTHFSA-N 1 0 299.380 4.718 10 0 CJAERO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000225941357 333243258 /nfs/dbraw/zinc/24/32/58/333243258.db2.gz DJDBVYXOCXCNLN-FRRDWIJNSA-N 1 0 265.363 4.666 10 0 CJAERO CCCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000225941384 333243263 /nfs/dbraw/zinc/24/32/63/333243263.db2.gz DJDBVYXOCXCNLN-AGIUHOORSA-N 1 0 265.363 4.666 10 0 CJAERO CCCC[N@H+]1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000226250940 567039348 /nfs/dbraw/zinc/03/93/48/567039348.db2.gz JWJGMNWTXMIHHG-UHFFFAOYSA-N 1 0 298.430 4.840 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000226582525 333265280 /nfs/dbraw/zinc/26/52/80/333265280.db2.gz XKMAPCPGIYJWPD-KFKAGJAMSA-N 1 0 289.463 4.664 10 0 CJAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000226582532 333265263 /nfs/dbraw/zinc/26/52/63/333265263.db2.gz XKMAPCPGIYJWPD-ZYSHUDEJSA-N 1 0 289.463 4.664 10 0 CJAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000227139538 333276907 /nfs/dbraw/zinc/27/69/07/333276907.db2.gz YNFBSJUGWNBCJB-YIYPIFLZSA-N 1 0 277.374 4.666 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000227178832 333277669 /nfs/dbraw/zinc/27/76/69/333277669.db2.gz CHBRADLSVGTORS-YJNKXOJESA-N 1 0 289.385 4.666 10 0 CJAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000227280859 333279232 /nfs/dbraw/zinc/27/92/32/333279232.db2.gz IDBTXGHEIWATAT-LBPRGKRZSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000227280894 333279265 /nfs/dbraw/zinc/27/92/65/333279265.db2.gz WMVJMIAPLINAPC-LBPRGKRZSA-N 1 0 277.770 4.638 10 0 CJAERO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000227280900 333279286 /nfs/dbraw/zinc/27/92/86/333279286.db2.gz WMVJMIAPLINAPC-GFCCVEGCSA-N 1 0 277.770 4.638 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2F)cc1 ZINC000227280940 333279463 /nfs/dbraw/zinc/27/94/63/333279463.db2.gz ZUICKPCMBBTLPI-CQSZACIVSA-N 1 0 271.379 4.547 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2F)cc1 ZINC000227280943 333279354 /nfs/dbraw/zinc/27/93/54/333279354.db2.gz ZUICKPCMBBTLPI-AWEZNQCLSA-N 1 0 271.379 4.547 10 0 CJAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000227282839 333279359 /nfs/dbraw/zinc/27/93/59/333279359.db2.gz XGZMYSLGTDURSY-JTQLQIEISA-N 1 0 283.799 4.700 10 0 CJAERO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000227282843 333279247 /nfs/dbraw/zinc/27/92/47/333279247.db2.gz XGZMYSLGTDURSY-SNVBAGLBSA-N 1 0 283.799 4.700 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2F)c(C)c1 ZINC000227284453 333279655 /nfs/dbraw/zinc/27/96/55/333279655.db2.gz CNLSSLHGWINZGL-OAHLLOKOSA-N 1 0 271.379 4.602 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2F)c(C)c1 ZINC000227284459 333279640 /nfs/dbraw/zinc/27/96/40/333279640.db2.gz CNLSSLHGWINZGL-HNNXBMFYSA-N 1 0 271.379 4.602 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227870609 333289482 /nfs/dbraw/zinc/28/94/82/333289482.db2.gz CHBRADLSVGTORS-TUVASFSCSA-N 1 0 289.385 4.666 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407102 333317615 /nfs/dbraw/zinc/31/76/15/333317615.db2.gz OGYLQKLSYFSOHR-WDEREUQCSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407105 333317555 /nfs/dbraw/zinc/31/75/55/333317555.db2.gz OGYLQKLSYFSOHR-QWRGUYRKSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230407108 333317506 /nfs/dbraw/zinc/31/75/06/333317506.db2.gz OGYLQKLSYFSOHR-GHMZBOCLSA-N 1 0 295.835 4.822 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230407110 333317523 /nfs/dbraw/zinc/31/75/23/333317523.db2.gz OGYLQKLSYFSOHR-MNOVXSKESA-N 1 0 295.835 4.822 10 0 CJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1csc(Cl)c1 ZINC000230407602 333317688 /nfs/dbraw/zinc/31/76/88/333317688.db2.gz GETSFAIDYYWWDL-YGRLFVJLSA-N 1 0 277.820 4.740 10 0 CJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1csc(Cl)c1 ZINC000230407605 333317865 /nfs/dbraw/zinc/31/78/65/333317865.db2.gz GETSFAIDYYWWDL-HZMBPMFUSA-N 1 0 277.820 4.740 10 0 CJAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000231525900 333325807 /nfs/dbraw/zinc/32/58/07/333325807.db2.gz CAGYMXHSJAQDAI-RRFJBIMHSA-N 1 0 278.440 4.629 10 0 CJAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)o1 ZINC000231525940 333325747 /nfs/dbraw/zinc/32/57/47/333325747.db2.gz CAGYMXHSJAQDAI-ZNMIVQPWSA-N 1 0 278.440 4.629 10 0 CJAERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000234886004 333362730 /nfs/dbraw/zinc/36/27/30/333362730.db2.gz OTWYBWRGYUUUON-CYBMUJFWSA-N 1 0 289.806 4.508 10 0 CJAERO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000234900832 333362960 /nfs/dbraw/zinc/36/29/60/333362960.db2.gz OTWYBWRGYUUUON-ZDUSSCGKSA-N 1 0 289.806 4.508 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000235230514 333367016 /nfs/dbraw/zinc/36/70/16/333367016.db2.gz NVNNIGMTIXHOKS-LPWJVIDDSA-N 1 0 277.374 4.522 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000235286974 333367287 /nfs/dbraw/zinc/36/72/87/333367287.db2.gz IHYIVNOVDGUKON-XVSSEFHLSA-N 1 0 277.374 4.522 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000235297161 333367396 /nfs/dbraw/zinc/36/73/96/333367396.db2.gz IHYIVNOVDGUKON-IKWCTNDRSA-N 1 0 277.374 4.522 10 0 CJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1Cl ZINC000235522008 333370475 /nfs/dbraw/zinc/37/04/75/333370475.db2.gz LDLJKELEIOJJEO-NSHDSACASA-N 1 0 295.760 4.777 10 0 CJAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000235574048 333370885 /nfs/dbraw/zinc/37/08/85/333370885.db2.gz IHYIVNOVDGUKON-YWPUVAFDSA-N 1 0 277.374 4.522 10 0 CJAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000235586264 333370829 /nfs/dbraw/zinc/37/08/29/333370829.db2.gz IHYIVNOVDGUKON-WTIISPKJSA-N 1 0 277.374 4.522 10 0 CJAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000238853794 566965535 /nfs/dbraw/zinc/96/55/35/566965535.db2.gz LDFZMJRVNWWMIX-MHORFTMASA-N 1 0 265.485 5.006 10 0 CJAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000238853795 256869194 /nfs/dbraw/zinc/86/91/94/256869194.db2.gz LDFZMJRVNWWMIX-XLAORIBOSA-N 1 0 265.485 5.006 10 0 CJAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000238853796 256869202 /nfs/dbraw/zinc/86/92/02/256869202.db2.gz LDFZMJRVNWWMIX-XSLAGTTESA-N 1 0 265.485 5.006 10 0 CJAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000245500537 334198255 /nfs/dbraw/zinc/19/82/55/334198255.db2.gz AOGWIKWBOVTJDK-FHLIZLRMSA-N 1 0 293.410 4.657 10 0 CJAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000245500538 334198225 /nfs/dbraw/zinc/19/82/25/334198225.db2.gz AOGWIKWBOVTJDK-JLSDUUJJSA-N 1 0 293.410 4.657 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000246917012 334271869 /nfs/dbraw/zinc/27/18/69/334271869.db2.gz GNWGJUGVXFEXRO-QJPTWQEYSA-N 1 0 289.341 4.614 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000246917053 334271782 /nfs/dbraw/zinc/27/17/82/334271782.db2.gz GNWGJUGVXFEXRO-TUAOUCFPSA-N 1 0 289.341 4.614 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250629095 334347409 /nfs/dbraw/zinc/34/74/09/334347409.db2.gz CHBRADLSVGTORS-KBXIAJHMSA-N 1 0 289.385 4.666 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250629097 334347485 /nfs/dbraw/zinc/34/74/85/334347485.db2.gz CHBRADLSVGTORS-XGUBFFRZSA-N 1 0 289.385 4.666 10 0 CJAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000251439604 334361574 /nfs/dbraw/zinc/36/15/74/334361574.db2.gz AUXCPRHVBCBKGD-DRZSPHRISA-N 1 0 277.820 4.608 10 0 CJAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000251439606 334361666 /nfs/dbraw/zinc/36/16/66/334361666.db2.gz AUXCPRHVBCBKGD-WCFLWFBJSA-N 1 0 277.820 4.608 10 0 CJAERO C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[C@@H](C)C1 ZINC000251708972 334367667 /nfs/dbraw/zinc/36/76/67/334367667.db2.gz BNYHCQSJPPIYQW-RLEFABKSSA-N 1 0 277.374 4.522 10 0 CJAERO C[C@@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[C@H]1C ZINC000251877880 334371282 /nfs/dbraw/zinc/37/12/82/334371282.db2.gz QZMAFVNQQRBPMD-AYZDXNEBSA-N 1 0 277.374 4.522 10 0 CJAERO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[C@H]1C ZINC000251877883 334371220 /nfs/dbraw/zinc/37/12/20/334371220.db2.gz QZMAFVNQQRBPMD-KPHYFBGPSA-N 1 0 277.374 4.522 10 0 CJAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000251921289 334372072 /nfs/dbraw/zinc/37/20/72/334372072.db2.gz YNFBSJUGWNBCJB-MQYQWHSLSA-N 1 0 277.374 4.666 10 0 CJAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000252197365 334376223 /nfs/dbraw/zinc/37/62/23/334376223.db2.gz SPGMPPUHHAAMCI-RLEFABKSSA-N 1 0 277.374 4.522 10 0 CJAERO C[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1[C@@H]1CCCC(F)(F)C1 ZINC000255189696 131145212 /nfs/dbraw/zinc/14/52/12/131145212.db2.gz RLROUSFMKCIHFB-BBWFWOEESA-N 1 0 293.401 4.690 10 0 CJAERO C[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1[C@H]1CCCC(F)(F)C1 ZINC000255189698 131145143 /nfs/dbraw/zinc/14/51/43/131145143.db2.gz RLROUSFMKCIHFB-YESZJQIVSA-N 1 0 293.401 4.690 10 0 CJAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1cccc(Cl)c1 ZINC000274947767 525530295 /nfs/dbraw/zinc/53/02/95/525530295.db2.gz USPNNEKJVBIKGN-QWRGUYRKSA-N 1 0 295.213 4.800 10 0 CJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)cn1 ZINC000274947769 525611495 /nfs/dbraw/zinc/61/14/95/525611495.db2.gz USPNNEKJVBIKGN-WDEREUQCSA-N 1 0 295.213 4.800 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cs1 ZINC000294335832 334895211 /nfs/dbraw/zinc/89/52/11/334895211.db2.gz YDRSTOSPARPHDI-MNOVXSKESA-N 1 0 251.420 4.530 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000300138871 518179037 /nfs/dbraw/zinc/17/90/37/518179037.db2.gz NVNNIGMTIXHOKS-NDBYEHHHSA-N 1 0 277.374 4.522 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300138873 332795509 /nfs/dbraw/zinc/79/55/09/332795509.db2.gz NVNNIGMTIXHOKS-VOAKCMCISA-N 1 0 277.374 4.522 10 0 CJAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300139249 332795521 /nfs/dbraw/zinc/79/55/21/332795521.db2.gz NVNNIGMTIXHOKS-XQHKEYJVSA-N 1 0 277.374 4.522 10 0 CJAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)o1 ZINC000300416187 332815140 /nfs/dbraw/zinc/81/51/40/332815140.db2.gz CAGYMXHSJAQDAI-KKUMJFAQSA-N 1 0 278.440 4.629 10 0 CJAERO Cc1ccc2[nH+]ccc(N[C@H](C)c3cccs3)c2c1 ZINC000302157682 328830860 /nfs/dbraw/zinc/83/08/60/328830860.db2.gz NLAWLMDEEAASQS-GFCCVEGCSA-N 1 0 268.385 4.778 10 0 CJAERO Cc1nc(CNc2c(C)c(C)[nH+]c3ccccc32)c(C)s1 ZINC000302180366 328831505 /nfs/dbraw/zinc/83/15/05/328831505.db2.gz RSJDXTQHWOBEFE-UHFFFAOYSA-N 1 0 297.427 4.537 10 0 CJAERO C[C@@H]([NH2+]Cc1sccc1Cl)c1ccc(Cl)cc1 ZINC000306074489 260114479 /nfs/dbraw/zinc/11/44/79/260114479.db2.gz FEIOTDXRVRWPAT-SECBINFHSA-N 1 0 286.227 4.906 10 0 CJAERO C[C@H]([NH2+]Cc1sccc1Cl)c1ccc(Cl)cc1 ZINC000306074496 260114450 /nfs/dbraw/zinc/11/44/50/260114450.db2.gz FEIOTDXRVRWPAT-VIFPVBQESA-N 1 0 286.227 4.906 10 0 CJAERO C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)c1cccs1 ZINC000309919653 333051341 /nfs/dbraw/zinc/05/13/41/333051341.db2.gz RGHZMZLKTIHQKR-SSDOTTSWSA-N 1 0 292.256 4.967 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2sccc2Cl)c1 ZINC000310276796 333056301 /nfs/dbraw/zinc/05/63/01/333056301.db2.gz FZGLNSWTBAVECN-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO C[C@@H]([NH2+]CCCCF)c1c(Cl)ccc(F)c1Cl ZINC000310283429 333056717 /nfs/dbraw/zinc/05/67/17/333056717.db2.gz PYSIQCKAOXHZJG-MRVPVSSYSA-N 1 0 282.161 4.533 10 0 CJAERO C[C@H]([NH2+]CCCCF)c1c(Cl)ccc(F)c1Cl ZINC000310283433 333056720 /nfs/dbraw/zinc/05/67/20/333056720.db2.gz PYSIQCKAOXHZJG-QMMMGPOBSA-N 1 0 282.161 4.533 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2sccc2Cl)cc1F ZINC000310610068 333060317 /nfs/dbraw/zinc/06/03/17/333060317.db2.gz AMYZZMQRHUCFOS-JTQLQIEISA-N 1 0 283.799 4.700 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2sccc2Cl)cc1F ZINC000310610070 260222004 /nfs/dbraw/zinc/22/20/04/260222004.db2.gz AMYZZMQRHUCFOS-SNVBAGLBSA-N 1 0 283.799 4.700 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2sccc2Cl)cc1 ZINC000310676470 333060758 /nfs/dbraw/zinc/06/07/58/333060758.db2.gz KEDWLJLZJLUYMQ-LLVKDONJSA-N 1 0 279.836 4.815 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2sccc2Cl)cc1 ZINC000310676476 333060829 /nfs/dbraw/zinc/06/08/29/333060829.db2.gz KEDWLJLZJLUYMQ-NSHDSACASA-N 1 0 279.836 4.815 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(C)c1 ZINC000310804101 260229120 /nfs/dbraw/zinc/22/91/20/260229120.db2.gz UIIPYKCVCWWTDD-DZGCQCFKSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1cccc(C)c1 ZINC000310804102 260229216 /nfs/dbraw/zinc/22/92/16/260229216.db2.gz UIIPYKCVCWWTDD-HIFRSBDPSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1cccc(C)c1 ZINC000310804103 260229278 /nfs/dbraw/zinc/22/92/78/260229278.db2.gz UIIPYKCVCWWTDD-UKRRQHHQSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1cccc(C)c1 ZINC000310804104 260229187 /nfs/dbraw/zinc/22/91/87/260229187.db2.gz UIIPYKCVCWWTDD-ZFWWWQNUSA-N 1 0 259.418 4.858 10 0 CJAERO C[C@H]([NH2+]CCCCC1CCOCC1)c1cccc(Cl)c1 ZINC000312279916 333079426 /nfs/dbraw/zinc/07/94/26/333079426.db2.gz HPDIUKYBWINOPA-AWEZNQCLSA-N 1 0 295.854 4.588 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2Cl)c(C)c1 ZINC000312560500 260149348 /nfs/dbraw/zinc/14/93/48/260149348.db2.gz SEQVLIZZFYUDCT-GFCCVEGCSA-N 1 0 279.836 4.869 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccsc2Cl)c(C)c1 ZINC000312560502 260149568 /nfs/dbraw/zinc/14/95/68/260149568.db2.gz SEQVLIZZFYUDCT-LBPRGKRZSA-N 1 0 279.836 4.869 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccsc2Cl)cc1 ZINC000312561351 260149390 /nfs/dbraw/zinc/14/93/90/260149390.db2.gz TYRDMTZWJXUVDV-LLVKDONJSA-N 1 0 279.836 4.815 10 0 CJAERO CCc1ccc([C@H](C)[NH2+]Cc2ccsc2Cl)cc1 ZINC000312561352 260149474 /nfs/dbraw/zinc/14/94/74/260149474.db2.gz TYRDMTZWJXUVDV-NSHDSACASA-N 1 0 279.836 4.815 10 0 CJAERO C[C@@H]([NH2+]Cc1ccsc1Cl)c1ccc(Cl)cc1 ZINC000312563411 260149821 /nfs/dbraw/zinc/14/98/21/260149821.db2.gz WJQWSISIHDLXOA-SECBINFHSA-N 1 0 286.227 4.906 10 0 CJAERO C[C@H]([NH2+]Cc1ccsc1Cl)c1ccc(Cl)cc1 ZINC000312563414 260150068 /nfs/dbraw/zinc/15/00/68/260150068.db2.gz WJQWSISIHDLXOA-VIFPVBQESA-N 1 0 286.227 4.906 10 0 CJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000312582882 260158394 /nfs/dbraw/zinc/15/83/94/260158394.db2.gz NMIVRGATZRJPIS-LLVKDONJSA-N 1 0 265.809 4.561 10 0 CJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000312582883 260158369 /nfs/dbraw/zinc/15/83/69/260158369.db2.gz NMIVRGATZRJPIS-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccsc2Cl)c1 ZINC000312588385 260162758 /nfs/dbraw/zinc/16/27/58/260162758.db2.gz UIOBKJBPIONDOW-LLVKDONJSA-N 1 0 265.809 4.561 10 0 CJAERO Cc1cccc([C@H](C)[NH2+]Cc2ccsc2Cl)c1 ZINC000312588388 260162558 /nfs/dbraw/zinc/16/25/58/260162558.db2.gz UIOBKJBPIONDOW-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(C)c1 ZINC000312609413 260180954 /nfs/dbraw/zinc/18/09/54/260180954.db2.gz OCVBODREIUFXPA-MOPGFXCFSA-N 1 0 265.400 4.723 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(C)c1 ZINC000312609417 260180867 /nfs/dbraw/zinc/18/08/67/260180867.db2.gz OCVBODREIUFXPA-OALUTQOASA-N 1 0 265.400 4.723 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(C)c1 ZINC000312609421 260180723 /nfs/dbraw/zinc/18/07/23/260180723.db2.gz OCVBODREIUFXPA-RBUKOAKNSA-N 1 0 265.400 4.723 10 0 CJAERO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(C)c1 ZINC000312609425 260180857 /nfs/dbraw/zinc/18/08/57/260180857.db2.gz OCVBODREIUFXPA-RTBURBONSA-N 1 0 265.400 4.723 10 0 CJAERO FC(F)(F)C1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000312609986 260181438 /nfs/dbraw/zinc/18/14/38/260181438.db2.gz GWWUIRVMVBTOTM-UHFFFAOYSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000312621414 260183833 /nfs/dbraw/zinc/18/38/33/260183833.db2.gz WFRHEDDGFRLTQI-NXEZZACHSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000312621420 260183866 /nfs/dbraw/zinc/18/38/66/260183866.db2.gz WFRHEDDGFRLTQI-UWVGGRQHSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000312621424 260183887 /nfs/dbraw/zinc/18/38/87/260183887.db2.gz WFRHEDDGFRLTQI-VHSXEESVSA-N 1 0 297.773 4.612 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000312621429 260183913 /nfs/dbraw/zinc/18/39/13/260183913.db2.gz WFRHEDDGFRLTQI-ZJUUUORDSA-N 1 0 297.773 4.612 10 0 CJAERO Cc1ccc([C@@H](C)NCc2ccsc2Cl)cc1F ZINC000312686526 260191000 /nfs/dbraw/zinc/19/10/00/260191000.db2.gz SJEOCQGQGPEJPB-SNVBAGLBSA-N 1 0 283.799 4.700 10 0 CJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccsc2Cl)cc1C ZINC000312750827 326960384 /nfs/dbraw/zinc/96/03/84/326960384.db2.gz HLIACFVFPXGJGN-GFCCVEGCSA-N 1 0 279.836 4.869 10 0 CJAERO Clc1sccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000312765735 260198657 /nfs/dbraw/zinc/19/86/57/260198657.db2.gz YYPFTYKMEUZFFW-ZDUSSCGKSA-N 1 0 298.238 4.832 10 0 CJAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328245619 333488573 /nfs/dbraw/zinc/48/85/73/333488573.db2.gz ICUOXCZFMQHGMB-JXQTWKCFSA-N 1 0 289.385 4.810 10 0 CJAERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2Cl)c(C)c1 ZINC000328505342 333534143 /nfs/dbraw/zinc/53/41/43/333534143.db2.gz ZKSNTWLBSPWBQO-ZDUSSCGKSA-N 1 0 289.806 4.513 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cs1 ZINC000328564813 333535065 /nfs/dbraw/zinc/53/50/65/333535065.db2.gz KWNUNXZKNVVTIH-AWEZNQCLSA-N 1 0 285.456 4.786 10 0 CJAERO Cc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cs1 ZINC000328564814 333535142 /nfs/dbraw/zinc/53/51/42/333535142.db2.gz KWNUNXZKNVVTIH-CQSZACIVSA-N 1 0 285.456 4.786 10 0 CJAERO C[C@H]([NH2+]CCCCC1CCOCC1)c1ccc(Cl)cc1 ZINC000379902189 335146662 /nfs/dbraw/zinc/14/66/62/335146662.db2.gz FFUZVTBRDUOPOT-AWEZNQCLSA-N 1 0 295.854 4.588 10 0 CJAERO C[C@@H]([NH2+]CCCCC1CCOCC1)c1ccc(Cl)cc1 ZINC000379921801 335271346 /nfs/dbraw/zinc/27/13/46/335271346.db2.gz FFUZVTBRDUOPOT-CQSZACIVSA-N 1 0 295.854 4.588 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cs1 ZINC000380616737 335471494 /nfs/dbraw/zinc/47/14/94/335471494.db2.gz ZNNKCYWHFHNWOQ-VIFPVBQESA-N 1 0 271.838 4.622 10 0 CJAERO Cc1sccc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000381046736 327086387 /nfs/dbraw/zinc/08/63/87/327086387.db2.gz HDGJYBZPYKBZPG-QMMMGPOBSA-N 1 0 271.838 4.622 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cs1 ZINC000381123824 336050990 /nfs/dbraw/zinc/05/09/90/336050990.db2.gz FQYOZGBWDJILEB-JTQLQIEISA-N 1 0 283.799 4.700 10 0 CJAERO Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cs1 ZINC000381123839 336051092 /nfs/dbraw/zinc/05/10/92/336051092.db2.gz FQYOZGBWDJILEB-SNVBAGLBSA-N 1 0 283.799 4.700 10 0 CJAERO Cc1cc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)cs1 ZINC000381175114 336053468 /nfs/dbraw/zinc/05/34/68/336053468.db2.gz PZORKMVWDVKLNS-PXAZEXFGSA-N 1 0 271.429 4.785 10 0 CJAERO Cc1cc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)cs1 ZINC000381175116 336053489 /nfs/dbraw/zinc/05/34/89/336053489.db2.gz PZORKMVWDVKLNS-SJCJKPOMSA-N 1 0 271.429 4.785 10 0 CJAERO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)cs1 ZINC000381175119 336053352 /nfs/dbraw/zinc/05/33/52/336053352.db2.gz PZORKMVWDVKLNS-SJKOYZFVSA-N 1 0 271.429 4.785 10 0 CJAERO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)cs1 ZINC000381175121 336053452 /nfs/dbraw/zinc/05/34/52/336053452.db2.gz PZORKMVWDVKLNS-YVEFUNNKSA-N 1 0 271.429 4.785 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)cs1 ZINC000381188696 336054241 /nfs/dbraw/zinc/05/42/41/336054241.db2.gz SSUISMSOOHZVQZ-AWEZNQCLSA-N 1 0 259.418 4.524 10 0 CJAERO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)cs1 ZINC000381188697 327144523 /nfs/dbraw/zinc/14/45/23/327144523.db2.gz SSUISMSOOHZVQZ-CQSZACIVSA-N 1 0 259.418 4.524 10 0 CJAERO Cc1cc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)cs1 ZINC000381270120 336057555 /nfs/dbraw/zinc/05/75/55/336057555.db2.gz HOFCTJWGSJFBNR-KRWDZBQOSA-N 1 0 285.456 4.860 10 0 CJAERO Cc1cc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)cs1 ZINC000381270122 336057544 /nfs/dbraw/zinc/05/75/44/336057544.db2.gz HOFCTJWGSJFBNR-QGZVFWFLSA-N 1 0 285.456 4.860 10 0 CJAERO CCCOc1ccc([C@H](C)[NH2+]Cc2csc(C)c2)cc1 ZINC000381273291 336057534 /nfs/dbraw/zinc/05/75/34/336057534.db2.gz IKNGOUGXNVJZKL-AWEZNQCLSA-N 1 0 289.444 4.696 10 0 CJAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2csc(C)c2)cc1 ZINC000381273292 336057563 /nfs/dbraw/zinc/05/75/63/336057563.db2.gz IKNGOUGXNVJZKL-CQSZACIVSA-N 1 0 289.444 4.696 10 0 CJAERO Cc1sccc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000381285350 327423455 /nfs/dbraw/zinc/42/34/55/327423455.db2.gz WFFJRDQFJJBFTB-ZDUSSCGKSA-N 1 0 259.418 4.524 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000381344335 336060000 /nfs/dbraw/zinc/06/00/00/336060000.db2.gz GDFKYWPSKBZMJE-CYZMBNFOSA-N 1 0 291.382 4.828 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000381344336 336060055 /nfs/dbraw/zinc/06/00/55/336060055.db2.gz GDFKYWPSKBZMJE-DRZSPHRISA-N 1 0 291.382 4.828 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000381344337 336059927 /nfs/dbraw/zinc/05/99/27/336059927.db2.gz GDFKYWPSKBZMJE-UHTWSYAYSA-N 1 0 291.382 4.828 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000381344340 336059866 /nfs/dbraw/zinc/05/98/66/336059866.db2.gz GDFKYWPSKBZMJE-WCFLWFBJSA-N 1 0 291.382 4.828 10 0 CJAERO C[C@H](NCc1cccc(O)c1Cl)c1ccc(Cl)cc1 ZINC000381351984 336059878 /nfs/dbraw/zinc/05/98/78/336059878.db2.gz FDLRQEHSZQVNSU-JTQLQIEISA-N 1 0 296.197 4.550 10 0 CJAERO C[C@H]([NH2+]Cc1csc(Cl)c1Cl)c1cccs1 ZINC000381401829 336061477 /nfs/dbraw/zinc/06/14/77/336061477.db2.gz RGHZMZLKTIHQKR-ZETCQYMHSA-N 1 0 292.256 4.967 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000381630996 336069768 /nfs/dbraw/zinc/06/97/68/336069768.db2.gz VGCOGWUICXVTSX-KBPBESRZSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000381630998 336069771 /nfs/dbraw/zinc/06/97/71/336069771.db2.gz VGCOGWUICXVTSX-KGLIPLIRSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)cs1 ZINC000381772793 336072853 /nfs/dbraw/zinc/07/28/53/336072853.db2.gz QAKUOSUIKWREIB-UONOGXRCSA-N 1 0 259.418 4.777 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000381871449 336075042 /nfs/dbraw/zinc/07/50/42/336075042.db2.gz JOIYRRZMMLEINV-GFCCVEGCSA-N 1 0 261.400 4.616 10 0 CJAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381871450 336075016 /nfs/dbraw/zinc/07/50/16/336075016.db2.gz JOIYRRZMMLEINV-LBPRGKRZSA-N 1 0 261.400 4.616 10 0 CJAERO CC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC000382071420 336081135 /nfs/dbraw/zinc/08/11/35/336081135.db2.gz CFVYOHWQAGCGKJ-BPCQOVAHSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC000382071421 336081120 /nfs/dbraw/zinc/08/11/20/336081120.db2.gz CFVYOHWQAGCGKJ-WXRRBKDZSA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1ccsc1 ZINC000382111901 336081949 /nfs/dbraw/zinc/08/19/49/336081949.db2.gz LAKWHCJREVSUTH-BLLLJJGKSA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1ccsc1 ZINC000382111907 336081894 /nfs/dbraw/zinc/08/18/94/336081894.db2.gz LAKWHCJREVSUTH-LRDDRELGSA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1ccsc1 ZINC000382111911 336081887 /nfs/dbraw/zinc/08/18/87/336081887.db2.gz LAKWHCJREVSUTH-MLGOLLRUSA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1ccsc1 ZINC000382111914 336081988 /nfs/dbraw/zinc/08/19/88/336081988.db2.gz LAKWHCJREVSUTH-WBMJQRKESA-N 1 0 277.408 4.998 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1C)c1ccsc1 ZINC000382140333 336082955 /nfs/dbraw/zinc/08/29/55/336082955.db2.gz QMYIUOLHZNBZFH-BBRMVZONSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)c1ccsc1 ZINC000382140336 336082754 /nfs/dbraw/zinc/08/27/54/336082754.db2.gz QMYIUOLHZNBZFH-XJKSGUPXSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccsc1 ZINC000382149848 336083181 /nfs/dbraw/zinc/08/31/81/336083181.db2.gz SCISPYJIGWWPCV-BMIGLBTASA-N 1 0 281.371 4.828 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccsc1 ZINC000382149849 336083235 /nfs/dbraw/zinc/08/32/35/336083235.db2.gz SCISPYJIGWWPCV-BONVTDFDSA-N 1 0 281.371 4.828 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ccsc1 ZINC000382149853 336083175 /nfs/dbraw/zinc/08/31/75/336083175.db2.gz SCISPYJIGWWPCV-MEBBXXQBSA-N 1 0 281.371 4.828 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccsc1 ZINC000382149855 336083306 /nfs/dbraw/zinc/08/33/06/336083306.db2.gz SCISPYJIGWWPCV-ZUZCIYMTSA-N 1 0 281.371 4.828 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccsc1 ZINC000382193095 336084038 /nfs/dbraw/zinc/08/40/38/336084038.db2.gz ZHSSKQVGRTXYNW-BBRMVZONSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccsc1 ZINC000382193097 336084215 /nfs/dbraw/zinc/08/42/15/336084215.db2.gz ZHSSKQVGRTXYNW-CJNGLKHVSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccsc1 ZINC000382193098 336084090 /nfs/dbraw/zinc/08/40/90/336084090.db2.gz ZHSSKQVGRTXYNW-CZUORRHYSA-N 1 0 259.418 4.858 10 0 CJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccsc1 ZINC000382193102 336084087 /nfs/dbraw/zinc/08/40/87/336084087.db2.gz ZHSSKQVGRTXYNW-XJKSGUPXSA-N 1 0 259.418 4.858 10 0 CJAERO Cc1sccc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000382450716 336090209 /nfs/dbraw/zinc/09/02/09/336090209.db2.gz KZASTTAQWHDTCW-JTQLQIEISA-N 1 0 265.809 4.561 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cs1 ZINC000383775649 336117710 /nfs/dbraw/zinc/11/77/10/336117710.db2.gz IMRWBTKZIWCAMH-NSHDSACASA-N 1 0 265.809 4.561 10 0 CJAERO Cc1cccc([C@@H](C)[NH2+]Cc2sccc2Cl)c1 ZINC000383934680 336119505 /nfs/dbraw/zinc/11/95/05/336119505.db2.gz FZGLNSWTBAVECN-LLVKDONJSA-N 1 0 265.809 4.561 10 0 CJAERO C[C@H]([NH2+]Cc1sccc1Cl)c1cccc(Cl)c1 ZINC000384015708 336121357 /nfs/dbraw/zinc/12/13/57/336121357.db2.gz QLIUYJSMARYOHN-VIFPVBQESA-N 1 0 286.227 4.906 10 0 CJAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2C)cs1 ZINC000385860734 336158255 /nfs/dbraw/zinc/15/82/55/336158255.db2.gz WVFCNNVSKZEEJB-AWEZNQCLSA-N 1 0 259.418 4.524 10 0 CJAERO Cc1cc(C[NH2+][C@H](C)c2ccc(C)cc2C)cs1 ZINC000385860735 336158275 /nfs/dbraw/zinc/15/82/75/336158275.db2.gz WVFCNNVSKZEEJB-CQSZACIVSA-N 1 0 259.418 4.524 10 0 CJAERO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000386102916 336166201 /nfs/dbraw/zinc/16/62/01/336166201.db2.gz IOCBCAHKAKMZFU-AWEZNQCLSA-N 1 0 270.420 4.539 10 0 CJAERO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000386102917 336166330 /nfs/dbraw/zinc/16/63/30/336166330.db2.gz IOCBCAHKAKMZFU-CQSZACIVSA-N 1 0 270.420 4.539 10 0 CJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc(C)c1 ZINC000388187203 327852285 /nfs/dbraw/zinc/85/22/85/327852285.db2.gz ZEEWQWXXCMWLET-GDBMZVCRSA-N 1 0 257.377 4.698 10 0 CJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc(C)c1 ZINC000388187205 327852254 /nfs/dbraw/zinc/85/22/54/327852254.db2.gz ZEEWQWXXCMWLET-HOCLYGCPSA-N 1 0 257.377 4.698 10 0 CJAERO FC1(F)CCCC[C@H]1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000390636243 262231731 /nfs/dbraw/zinc/23/17/31/262231731.db2.gz JWVPIWWKDIMNHM-GXTWGEPZSA-N 1 0 285.403 4.614 10 0 CJAERO FC1(F)CCCC[C@H]1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000390636244 262231941 /nfs/dbraw/zinc/23/19/41/262231941.db2.gz JWVPIWWKDIMNHM-JSGCOSHPSA-N 1 0 285.403 4.614 10 0 CJAERO FC1(F)CCCC[C@@H]1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000390636245 262231790 /nfs/dbraw/zinc/23/17/90/262231790.db2.gz JWVPIWWKDIMNHM-OCCSQVGLSA-N 1 0 285.403 4.614 10 0 CJAERO FC1(F)CCCC[C@@H]1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000390636247 262231811 /nfs/dbraw/zinc/23/18/11/262231811.db2.gz JWVPIWWKDIMNHM-TZMCWYRMSA-N 1 0 285.403 4.614 10 0 CJAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390647783 328971882 /nfs/dbraw/zinc/97/18/82/328971882.db2.gz MRCRZADLMZUBKD-TUAOUCFPSA-N 1 0 299.327 4.523 10 0 CJAERO Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000390801467 262347354 /nfs/dbraw/zinc/34/73/54/262347354.db2.gz ZKQSYITWPHJYNA-NRFANRHFSA-N 1 0 287.406 4.874 10 0 CJAERO Cc1ccccc1[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000390801468 262347062 /nfs/dbraw/zinc/34/70/62/262347062.db2.gz ZKQSYITWPHJYNA-OAQYLSRUSA-N 1 0 287.406 4.874 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000392915805 329398632 /nfs/dbraw/zinc/39/86/32/329398632.db2.gz BHNUFKTYNZNYEG-HZSPNIEDSA-N 1 0 289.385 4.810 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000392915822 329398626 /nfs/dbraw/zinc/39/86/26/329398626.db2.gz BHNUFKTYNZNYEG-MCIONIFRSA-N 1 0 289.385 4.810 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000392915824 329398678 /nfs/dbraw/zinc/39/86/78/329398678.db2.gz BHNUFKTYNZNYEG-MGPQQGTHSA-N 1 0 289.385 4.810 10 0 CJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000392915826 329398605 /nfs/dbraw/zinc/39/86/05/329398605.db2.gz BHNUFKTYNZNYEG-RDBSUJKOSA-N 1 0 289.385 4.810 10 0 CJAERO CC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccsc1 ZINC000394312736 260688391 /nfs/dbraw/zinc/68/83/91/260688391.db2.gz YRPXAAXXDMCNMQ-AVGNSLFASA-N 1 0 291.382 4.910 10 0 CJAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccsc1 ZINC000394312741 260688303 /nfs/dbraw/zinc/68/83/03/260688303.db2.gz YRPXAAXXDMCNMQ-XQQFMLRXSA-N 1 0 291.382 4.910 10 0 CJAERO Cc1cc([C@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)cs1 ZINC000394491272 261087575 /nfs/dbraw/zinc/08/75/75/261087575.db2.gz BJIQXVHNSUDHFP-PKSQDBQZSA-N 1 0 291.382 4.828 10 0 CJAERO Cc1cc([C@@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)cs1 ZINC000394491280 261086910 /nfs/dbraw/zinc/08/69/10/261086910.db2.gz BJIQXVHNSUDHFP-QFWMXSHPSA-N 1 0 291.382 4.828 10 0 CJAERO Cc1cc(C[NH2+][C@H]2CCCCc3ccccc32)cs1 ZINC000394499142 329124138 /nfs/dbraw/zinc/12/41/38/329124138.db2.gz ZJDWWTQSELKQRC-KRWDZBQOSA-N 1 0 271.429 4.614 10 0 CJAERO Cc1cc(C[NH2+][C@@H]2CCCCc3ccccc32)cs1 ZINC000394499143 329124083 /nfs/dbraw/zinc/12/40/83/329124083.db2.gz ZJDWWTQSELKQRC-QGZVFWFLSA-N 1 0 271.429 4.614 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000394499399 261102634 /nfs/dbraw/zinc/10/26/34/261102634.db2.gz ZYZMXDFVFPYOMP-GHMZBOCLSA-N 1 0 281.371 4.747 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000394499400 261102476 /nfs/dbraw/zinc/10/24/76/261102476.db2.gz ZYZMXDFVFPYOMP-MNOVXSKESA-N 1 0 281.371 4.747 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000394499401 261102746 /nfs/dbraw/zinc/10/27/46/261102746.db2.gz ZYZMXDFVFPYOMP-QWRGUYRKSA-N 1 0 281.371 4.747 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000394499402 261102470 /nfs/dbraw/zinc/10/24/70/261102470.db2.gz ZYZMXDFVFPYOMP-WDEREUQCSA-N 1 0 281.371 4.747 10 0 CJAERO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)cs1 ZINC000394530086 261395079 /nfs/dbraw/zinc/39/50/79/261395079.db2.gz QAKUOSUIKWREIB-KGLIPLIRSA-N 1 0 259.418 4.777 10 0 CJAERO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)cs1 ZINC000394530098 261394556 /nfs/dbraw/zinc/39/45/56/261394556.db2.gz QAKUOSUIKWREIB-ZIAGYGMSSA-N 1 0 259.418 4.777 10 0 CJAERO CC1(C)CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000465064646 331377432 /nfs/dbraw/zinc/37/74/32/331377432.db2.gz HTZNVKRNVVYCQF-UHFFFAOYSA-N 1 0 291.401 4.914 10 0 CJAERO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000466359291 331393281 /nfs/dbraw/zinc/39/32/81/331393281.db2.gz LUNQJYWVTBJNGS-DCBWTQNWSA-N 1 0 277.374 4.523 10 0 CJAERO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000466359292 331393362 /nfs/dbraw/zinc/39/33/62/331393362.db2.gz LUNQJYWVTBJNGS-LKSINWNRSA-N 1 0 277.374 4.523 10 0 CJAERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000467447982 331419846 /nfs/dbraw/zinc/41/98/46/331419846.db2.gz VTDSLLZWZPEOFA-DCGLDWPTSA-N 1 0 295.854 4.584 10 0 CJAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000467447983 331419893 /nfs/dbraw/zinc/41/98/93/331419893.db2.gz VTDSLLZWZPEOFA-LOUJCGABSA-N 1 0 295.854 4.584 10 0 CJAERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000467447984 331419834 /nfs/dbraw/zinc/41/98/34/331419834.db2.gz VTDSLLZWZPEOFA-UMPJEAMMSA-N 1 0 295.854 4.584 10 0 CJAERO CC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000467447985 331419898 /nfs/dbraw/zinc/41/98/98/331419898.db2.gz VTDSLLZWZPEOFA-XNJGSVPQSA-N 1 0 295.854 4.584 10 0 CJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cn2)cc1F ZINC000480204681 331763033 /nfs/dbraw/zinc/76/30/33/331763033.db2.gz TVMBEWVEBODSKQ-NWDGAFQWSA-N 1 0 292.785 4.594 10 0 CJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000480333284 331768557 /nfs/dbraw/zinc/76/85/57/331768557.db2.gz LOOQWWOJJFMHBI-OLZOCXBDSA-N 1 0 288.822 4.709 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cn2)cc1 ZINC000480333285 331768613 /nfs/dbraw/zinc/76/86/13/331768613.db2.gz LOOQWWOJJFMHBI-QWHCGFSZSA-N 1 0 288.822 4.709 10 0 CJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cn2)cc1 ZINC000480333286 331768579 /nfs/dbraw/zinc/76/85/79/331768579.db2.gz LOOQWWOJJFMHBI-STQMWFEESA-N 1 0 288.822 4.709 10 0 CJAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000484372830 331897907 /nfs/dbraw/zinc/89/79/07/331897907.db2.gz KZCNKCSRFMOYQV-AQUOVQTQSA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000484372831 331897814 /nfs/dbraw/zinc/89/78/14/331897814.db2.gz KZCNKCSRFMOYQV-BZHVJNSISA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000484372832 331897861 /nfs/dbraw/zinc/89/78/61/331897861.db2.gz KZCNKCSRFMOYQV-OXHMUOHRSA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000484372833 331897321 /nfs/dbraw/zinc/89/73/21/331897321.db2.gz KZCNKCSRFMOYQV-ZEGGKSINSA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000484377113 331897880 /nfs/dbraw/zinc/89/78/80/331897880.db2.gz WFTDAIINLLKGKL-AQUOVQTQSA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000484377115 331897919 /nfs/dbraw/zinc/89/79/19/331897919.db2.gz WFTDAIINLLKGKL-BZHVJNSISA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000484377118 331897339 /nfs/dbraw/zinc/89/73/39/331897339.db2.gz WFTDAIINLLKGKL-ZEGGKSINSA-N 1 0 290.259 4.538 10 0 CJAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000484408247 331898037 /nfs/dbraw/zinc/89/80/37/331898037.db2.gz JJHQIJAVEUIDSI-BZHVJNSISA-N 1 0 290.259 4.538 10 0 CJAERO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000492626996 332406906 /nfs/dbraw/zinc/40/69/06/332406906.db2.gz JLPBBLABCFGODB-LLVKDONJSA-N 1 0 295.760 4.512 10 0 CJAERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000503557438 332692038 /nfs/dbraw/zinc/69/20/38/332692038.db2.gz JONCZYILKXMVER-UMPJEAMMSA-N 1 0 295.854 4.584 10 0 CJAERO CC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000503557439 331911556 /nfs/dbraw/zinc/91/15/56/331911556.db2.gz JONCZYILKXMVER-XNJGSVPQSA-N 1 0 295.854 4.584 10 0 CJAERO CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1[nH+]ccc2N ZINC000504224672 332706559 /nfs/dbraw/zinc/70/65/59/332706559.db2.gz BQYSGTCOMFEPPL-UHFFFAOYSA-N 1 0 289.499 4.642 10 0 CJAERO CC1(C)CC[NH+]([C@@]2(C)CC=C(C3CCC3)CC2)CC1 ZINC000725256721 567915471 /nfs/dbraw/zinc/91/54/71/567915471.db2.gz ISEONJCLVGOHON-SFHVURJKSA-N 1 0 261.453 4.778 10 0 CJAERO FC1(F)CCC(CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000725268800 567924481 /nfs/dbraw/zinc/92/44/81/567924481.db2.gz BDDHFACMRKAGRJ-UHFFFAOYSA-N 1 0 287.781 4.645 10 0 CJAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000725269762 567924453 /nfs/dbraw/zinc/92/44/53/567924453.db2.gz YLPYVXDTIXCIEK-UHFFFAOYSA-N 1 0 287.781 4.645 10 0 CJAERO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000725273472 570264436 /nfs/dbraw/zinc/26/44/36/570264436.db2.gz FPKWEPGKAGDQIF-ZWNOBZJWSA-N 1 0 259.315 4.545 10 0 CJAERO CCC(CC)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000725273480 570264001 /nfs/dbraw/zinc/26/40/01/570264001.db2.gz GNDYFEDXDNEQEU-AWEZNQCLSA-N 1 0 273.342 4.935 10 0 CJAERO CCC(CC)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000725273481 570263998 /nfs/dbraw/zinc/26/39/98/570263998.db2.gz GNDYFEDXDNEQEU-CQSZACIVSA-N 1 0 273.342 4.935 10 0 CJAERO CC[C@@H]([NH2+]C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725273567 570263996 /nfs/dbraw/zinc/26/39/96/570263996.db2.gz LQFUVFWLTGZYLM-GFCCVEGCSA-N 1 0 259.315 4.545 10 0 CJAERO CC[C@H]([NH2+]C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725273568 570264006 /nfs/dbraw/zinc/26/40/06/570264006.db2.gz LQFUVFWLTGZYLM-LBPRGKRZSA-N 1 0 259.315 4.545 10 0 CJAERO CCCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000725273699 570263985 /nfs/dbraw/zinc/26/39/85/570263985.db2.gz VWQYGWCJHFDLJF-CYBMUJFWSA-N 1 0 259.315 4.546 10 0 CJAERO CCCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000725273700 570264022 /nfs/dbraw/zinc/26/40/22/570264022.db2.gz VWQYGWCJHFDLJF-ZDUSSCGKSA-N 1 0 259.315 4.546 10 0 CJAERO CC[C@@H]([NH2+]C(C)(C)CC)c1ccc(C(F)(F)F)cc1 ZINC000725273724 570263989 /nfs/dbraw/zinc/26/39/89/570263989.db2.gz XWCDWGJXUPCMDH-CYBMUJFWSA-N 1 0 273.342 4.935 10 0 CJAERO CC[C@H]([NH2+]C(C)(C)CC)c1ccc(C(F)(F)F)cc1 ZINC000725273725 570263994 /nfs/dbraw/zinc/26/39/94/570263994.db2.gz XWCDWGJXUPCMDH-ZDUSSCGKSA-N 1 0 273.342 4.935 10 0 CJAERO