smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1cc(N[C@H]2CCC[N@@H+](CCC)C2)nc(C)[nH+]1 ZINC001506425950 937990218 /nfs/dbraw/zinc/99/02/18/937990218.db2.gz STYFCZMDTGKDAB-HNNXBMFYSA-N 2 2 276.428 3.024 50 0 CGAALP CCCc1cc(N[C@H]2CCC[N@H+](CCC)C2)nc(C)[nH+]1 ZINC001506425950 937990219 /nfs/dbraw/zinc/99/02/19/937990219.db2.gz STYFCZMDTGKDAB-HNNXBMFYSA-N 2 2 276.428 3.024 50 0 CGAALP C[C@H]([NH2+]C/C=C\c1ccccn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000606444477 348184388 /nfs/dbraw/zinc/18/43/88/348184388.db2.gz VKOHGPOPNOWCOS-ASVSUOFKSA-N 2 2 295.430 3.376 50 0 CGAALP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+](C)C ZINC000057364349 369536536 /nfs/dbraw/zinc/53/65/36/369536536.db2.gz GPWCUYPOXOGMPF-UHFFFAOYSA-N 2 2 291.222 3.043 50 0 CGAALP CC[NH+](CC)CCn1cc[nH+]c1-c1ccc2onc(C)c2c1 ZINC000067773793 369729386 /nfs/dbraw/zinc/72/93/86/369729386.db2.gz ZBHFJDGQTOXIDS-UHFFFAOYSA-N 2 2 298.390 3.342 50 0 CGAALP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174396547 373305483 /nfs/dbraw/zinc/30/54/83/373305483.db2.gz NMLDYRJVIMHGHG-IBGZPJMESA-N 2 2 295.430 3.036 50 0 CGAALP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174396547 373305489 /nfs/dbraw/zinc/30/54/89/373305489.db2.gz NMLDYRJVIMHGHG-IBGZPJMESA-N 2 2 295.430 3.036 50 0 CGAALP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174396547 373305495 /nfs/dbraw/zinc/30/54/95/373305495.db2.gz NMLDYRJVIMHGHG-IBGZPJMESA-N 2 2 295.430 3.036 50 0 CGAALP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174396547 373305499 /nfs/dbraw/zinc/30/54/99/373305499.db2.gz NMLDYRJVIMHGHG-IBGZPJMESA-N 2 2 295.430 3.036 50 0 CGAALP Cc1cnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000189915896 375458830 /nfs/dbraw/zinc/45/88/30/375458830.db2.gz LTGYEMSTICXEDF-CYBMUJFWSA-N 2 2 298.415 3.488 50 0 CGAALP CCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)nc1 ZINC000670447963 543155802 /nfs/dbraw/zinc/15/58/02/543155802.db2.gz TXZJYTLFMBADLE-UHFFFAOYSA-N 2 2 297.402 3.082 50 0 CGAALP C[NH+](C)CCNc1cc(-c2ccccn2)[nH+]c2ccccc12 ZINC000005569554 170114741 /nfs/dbraw/zinc/11/47/41/170114741.db2.gz PJDXPFLGVYXGMU-UHFFFAOYSA-N 2 2 292.386 3.270 50 0 CGAALP c1cn(Cc2ccc(-c3cccc4c3CC[NH2+]C4)cc2)c[nH+]1 ZINC000071439796 176169849 /nfs/dbraw/zinc/16/98/49/176169849.db2.gz OMPIKKOJQYPMIY-UHFFFAOYSA-N 2 2 289.382 3.244 50 0 CGAALP C[C@H](c1[nH+]ccn1CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000071759120 176260882 /nfs/dbraw/zinc/26/08/82/176260882.db2.gz CYBFQSJMBTXNBL-ZDUSSCGKSA-N 2 2 266.348 3.001 50 0 CGAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000048782251 416459381 /nfs/dbraw/zinc/45/93/81/416459381.db2.gz LCPDWFGMOMULBD-UHFFFAOYSA-N 2 2 296.349 3.005 50 0 CGAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529530320 270182838 /nfs/dbraw/zinc/18/28/38/270182838.db2.gz CZQQQWBORZFEGD-LLVKDONJSA-N 2 2 293.361 3.368 50 0 CGAALP c1cc2ccc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2[nH]1 ZINC000020351033 618977279 /nfs/dbraw/zinc/97/72/79/618977279.db2.gz RCMMMZPAVIGHMH-MRXNPFEDSA-N 2 2 294.402 3.277 50 0 CGAALP c1cc2ccc(C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2[nH]1 ZINC000020351033 618977282 /nfs/dbraw/zinc/97/72/82/618977282.db2.gz RCMMMZPAVIGHMH-MRXNPFEDSA-N 2 2 294.402 3.277 50 0 CGAALP C[C@@H](C[C@H](C)SC1CCCC1)[NH2+]CCn1cc[nH+]c1 ZINC000888098162 619260006 /nfs/dbraw/zinc/26/00/06/619260006.db2.gz CBSLIQLVFRXLFQ-KBPBESRZSA-N 2 2 281.469 3.316 50 0 CGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958806 345691826 /nfs/dbraw/zinc/69/18/26/345691826.db2.gz XOBYDWIVLAOFQX-OAHLLOKOSA-N 2 2 255.365 3.098 50 0 CGAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958806 345691828 /nfs/dbraw/zinc/69/18/28/345691828.db2.gz XOBYDWIVLAOFQX-OAHLLOKOSA-N 2 2 255.365 3.098 50 0 CGAALP C[NH+](C)CCn1c2ccccc2n2cc(C(C)(C)C)[nH+]c21 ZINC000000208041 368315611 /nfs/dbraw/zinc/31/56/11/368315611.db2.gz GWHFNRLAZAKTJC-UHFFFAOYSA-N 2 2 284.407 3.148 50 0 CGAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000000316715 368340768 /nfs/dbraw/zinc/34/07/68/368340768.db2.gz PDXMZOSXVILDLH-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000000316715 368340769 /nfs/dbraw/zinc/34/07/69/368340769.db2.gz PDXMZOSXVILDLH-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP CCc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000002734931 368474449 /nfs/dbraw/zinc/47/44/49/368474449.db2.gz GPPSIDWCTTVRGC-UHFFFAOYSA-N 2 2 272.436 3.309 50 0 CGAALP [NH3+]CC[NH2+][C@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000022917560 368813673 /nfs/dbraw/zinc/81/36/73/368813673.db2.gz QHMZRIOWDJQBHT-OAHLLOKOSA-N 2 2 294.320 3.343 50 0 CGAALP [NH3+]CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000022917472 368814638 /nfs/dbraw/zinc/81/46/38/368814638.db2.gz FTVSEGQKCYXAEW-HNNXBMFYSA-N 2 2 278.758 3.117 50 0 CGAALP c1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000071762152 369808311 /nfs/dbraw/zinc/80/83/11/369808311.db2.gz YRMPVXBMWDSYQN-QGZVFWFLSA-N 2 2 281.403 3.250 50 0 CGAALP c1cn(CC[N@H+]2CC[C@@H](c3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000071762152 369808315 /nfs/dbraw/zinc/80/83/15/369808315.db2.gz YRMPVXBMWDSYQN-QGZVFWFLSA-N 2 2 281.403 3.250 50 0 CGAALP CCC[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095377186 370180883 /nfs/dbraw/zinc/18/08/83/370180883.db2.gz AIKIDMVKEQLLJB-FUHWJXTLSA-N 2 2 297.446 3.474 50 0 CGAALP CCC[N@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095377186 370180892 /nfs/dbraw/zinc/18/08/92/370180892.db2.gz AIKIDMVKEQLLJB-FUHWJXTLSA-N 2 2 297.446 3.474 50 0 CGAALP CCC[NH+]1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095377186 370180897 /nfs/dbraw/zinc/18/08/97/370180897.db2.gz AIKIDMVKEQLLJB-FUHWJXTLSA-N 2 2 297.446 3.474 50 0 CGAALP CCC[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095377186 370180905 /nfs/dbraw/zinc/18/09/05/370180905.db2.gz AIKIDMVKEQLLJB-FUHWJXTLSA-N 2 2 297.446 3.474 50 0 CGAALP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644646 370153804 /nfs/dbraw/zinc/15/38/04/370153804.db2.gz VUYHCFRHTOSXFK-FZMZJTMJSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000093644646 370153807 /nfs/dbraw/zinc/15/38/07/370153807.db2.gz VUYHCFRHTOSXFK-FZMZJTMJSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644646 370153810 /nfs/dbraw/zinc/15/38/10/370153810.db2.gz VUYHCFRHTOSXFK-FZMZJTMJSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644646 370153816 /nfs/dbraw/zinc/15/38/16/370153816.db2.gz VUYHCFRHTOSXFK-FZMZJTMJSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000229315861 376459688 /nfs/dbraw/zinc/45/96/88/376459688.db2.gz LREUFWQPTRHVSA-MAUKXSAKSA-N 2 2 281.403 3.007 50 0 CGAALP C[C@@H]([NH2+]CCC1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117336 378397535 /nfs/dbraw/zinc/39/75/35/378397535.db2.gz YSCUSPLUPRNRDZ-CRAIPNDOSA-N 2 2 290.451 3.084 50 0 CGAALP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC2CCCC2)cc1 ZINC000670454160 543155882 /nfs/dbraw/zinc/15/58/82/543155882.db2.gz ZTMKMLWRTPGHGF-UHFFFAOYSA-N 2 2 299.418 3.337 50 0 CGAALP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC2CCCC2)cc1 ZINC000670454160 543155884 /nfs/dbraw/zinc/15/58/84/543155884.db2.gz ZTMKMLWRTPGHGF-UHFFFAOYSA-N 2 2 299.418 3.337 50 0 CGAALP Cc1ccc(C[NH2+]CC[NH2+]Cc2ccc(C)cc2)cc1 ZINC000020365455 171164018 /nfs/dbraw/zinc/16/40/18/171164018.db2.gz SITQVAFDPSJLPK-UHFFFAOYSA-N 2 2 268.404 3.183 50 0 CGAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2F)cn1 ZINC000048782291 416459373 /nfs/dbraw/zinc/45/93/73/416459373.db2.gz WGGWQHVJLYCDHL-UHFFFAOYSA-N 2 2 296.349 3.005 50 0 CGAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC)c(C)c1C ZINC000952973406 615497664 /nfs/dbraw/zinc/49/76/64/615497664.db2.gz CPPNCLGBIRUVOA-INIZCTEOSA-N 2 2 287.407 3.077 50 0 CGAALP C[N@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2F)CC1 ZINC001506395911 937989448 /nfs/dbraw/zinc/98/94/48/937989448.db2.gz PDYHQJXQQVLHHX-UHFFFAOYSA-N 2 2 299.393 3.322 50 0 CGAALP C[N@@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2F)CC1 ZINC001506395911 937989449 /nfs/dbraw/zinc/98/94/49/937989449.db2.gz PDYHQJXQQVLHHX-UHFFFAOYSA-N 2 2 299.393 3.322 50 0 CGAALP C[N@H+](CCn1cc[nH+]c1)C[C@]1(c2ccccc2)CC1(C)C ZINC001506427068 937990008 /nfs/dbraw/zinc/99/00/08/937990008.db2.gz WNWQFZPRSNQNAQ-SFHVURJKSA-N 2 2 283.419 3.183 50 0 CGAALP C[N@@H+](CCn1cc[nH+]c1)C[C@]1(c2ccccc2)CC1(C)C ZINC001506427068 937990009 /nfs/dbraw/zinc/99/00/09/937990009.db2.gz WNWQFZPRSNQNAQ-SFHVURJKSA-N 2 2 283.419 3.183 50 0 CGAALP CCC[NH+]1CCC(Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000132273105 346070703 /nfs/dbraw/zinc/07/07/03/346070703.db2.gz KJDNPNARANUOLM-UHFFFAOYSA-N 2 2 298.434 3.373 50 0 CGAALP CCn1cc[nH+]c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000091793662 180257653 /nfs/dbraw/zinc/25/76/53/180257653.db2.gz HVYMBAWQMYERMW-UHFFFAOYSA-N 2 2 269.392 3.283 50 0 CGAALP CCCC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000002499198 368457084 /nfs/dbraw/zinc/45/70/84/368457084.db2.gz AUBQCNXKAINHAB-UHFFFAOYSA-N 2 2 260.425 3.383 50 0 CGAALP CCCC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000002499198 368457089 /nfs/dbraw/zinc/45/70/89/368457089.db2.gz AUBQCNXKAINHAB-UHFFFAOYSA-N 2 2 260.425 3.383 50 0 CGAALP C[NH+](C)CCCCCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000013588744 368659052 /nfs/dbraw/zinc/65/90/52/368659052.db2.gz FIFQJYUSSPRJIZ-UHFFFAOYSA-N 2 2 287.407 3.373 50 0 in-vitro CGAALP Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c[nH+]c1N ZINC000032516137 368934150 /nfs/dbraw/zinc/93/41/50/368934150.db2.gz VOOZMBUIGFDPFS-CQSZACIVSA-N 2 2 297.402 3.032 50 0 CGAALP CCc1ccc2[nH+]c(NCCc3c[nH]c[nH+]3)cc(C)c2c1 ZINC000055281394 369513301 /nfs/dbraw/zinc/51/33/01/369513301.db2.gz DVYNMBVJHFQFGF-UHFFFAOYSA-N 2 2 280.375 3.483 50 0 CGAALP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000067668283 369724332 /nfs/dbraw/zinc/72/43/32/369724332.db2.gz WWPUNSOFTJRDMA-HNNXBMFYSA-N 2 2 298.434 3.074 50 0 CGAALP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000067668283 369724336 /nfs/dbraw/zinc/72/43/36/369724336.db2.gz WWPUNSOFTJRDMA-HNNXBMFYSA-N 2 2 298.434 3.074 50 0 CGAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(F)ccc1F)CCC2 ZINC000084257756 370012277 /nfs/dbraw/zinc/01/22/77/370012277.db2.gz PTVIMPKBUYQTEA-LBPRGKRZSA-N 2 2 291.345 3.137 50 0 CGAALP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000089895760 370050962 /nfs/dbraw/zinc/05/09/62/370050962.db2.gz HUHSPNAWPQXJHW-DOTOQJQBSA-N 2 2 283.419 3.371 50 0 CGAALP c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000022028323 397605483 /nfs/dbraw/zinc/60/54/83/397605483.db2.gz BHEXKVGLZMEJRQ-SFHVURJKSA-N 2 2 266.388 3.051 50 0 CGAALP c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000022028323 397605487 /nfs/dbraw/zinc/60/54/87/397605487.db2.gz BHEXKVGLZMEJRQ-SFHVURJKSA-N 2 2 266.388 3.051 50 0 CGAALP C[C@H](c1ccc(-c2cc[nH+]c(N)c2)cc1)[NH+]1CCCC1 ZINC000216460616 570305605 /nfs/dbraw/zinc/30/56/05/570305605.db2.gz ODJWYOMDVPBVAV-CYBMUJFWSA-N 2 2 267.376 3.488 50 0 CGAALP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000409421180 346605216 /nfs/dbraw/zinc/60/52/16/346605216.db2.gz WNQKWERUJSHIIT-QGZVFWFLSA-N 2 2 296.418 3.301 50 0 CGAALP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000409421180 346605219 /nfs/dbraw/zinc/60/52/19/346605219.db2.gz WNQKWERUJSHIIT-QGZVFWFLSA-N 2 2 296.418 3.301 50 0 CGAALP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000216084 368317699 /nfs/dbraw/zinc/31/76/99/368317699.db2.gz MNOLTTIITCPZRI-CRAIPNDOSA-N 2 2 272.436 3.429 50 0 CGAALP CC[NH+](CC)c1ccc(-n2c[nH+]c3cc(N)ccc32)cc1 ZINC000004030205 368527023 /nfs/dbraw/zinc/52/70/23/368527023.db2.gz AXDTVRYCUSTUGE-UHFFFAOYSA-N 2 2 280.375 3.454 50 0 CGAALP Cc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037507822 369087963 /nfs/dbraw/zinc/08/79/63/369087963.db2.gz SJIVIRBDKXZCRZ-UHFFFAOYSA-N 2 2 281.403 3.149 50 0 CGAALP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1F ZINC000072427002 369819548 /nfs/dbraw/zinc/81/95/48/369819548.db2.gz JTNRNHPRSYEVKD-OAHLLOKOSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1F ZINC000072427002 369819552 /nfs/dbraw/zinc/81/95/52/369819552.db2.gz JTNRNHPRSYEVKD-OAHLLOKOSA-N 2 2 294.414 3.141 50 0 CGAALP CSCc1ccc(N2CCC([C@H](C)[NH+](C)C)CC2)[nH+]c1 ZINC000082139043 369999665 /nfs/dbraw/zinc/99/96/65/369999665.db2.gz HFVMDLLGICYBBV-ZDUSSCGKSA-N 2 2 293.480 3.111 50 0 CGAALP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000089895763 370050339 /nfs/dbraw/zinc/05/03/39/370050339.db2.gz HUHSPNAWPQXJHW-NVXWUHKLSA-N 2 2 283.419 3.371 50 0 CGAALP Cc1[nH+]cc(C[N@H+](C)Cc2[nH]c3ccccc3c2C)n1C ZINC000097711730 370251725 /nfs/dbraw/zinc/25/17/25/370251725.db2.gz KKHCYZKZGYPUAF-UHFFFAOYSA-N 2 2 282.391 3.150 50 0 CGAALP Cc1[nH+]cc(C[N@@H+](C)Cc2[nH]c3ccccc3c2C)n1C ZINC000097711730 370251728 /nfs/dbraw/zinc/25/17/28/370251728.db2.gz KKHCYZKZGYPUAF-UHFFFAOYSA-N 2 2 282.391 3.150 50 0 CGAALP COc1cccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000244811554 376798548 /nfs/dbraw/zinc/79/85/48/376798548.db2.gz SGTFOBQDUYBYDL-GOSISDBHSA-N 2 2 299.418 3.427 50 0 CGAALP COc1cccc([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000244811554 376798556 /nfs/dbraw/zinc/79/85/56/376798556.db2.gz SGTFOBQDUYBYDL-GOSISDBHSA-N 2 2 299.418 3.427 50 0 CGAALP COc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)c1 ZINC000072412087 176399039 /nfs/dbraw/zinc/39/90/39/176399039.db2.gz VJSQMJKRQRIOFZ-OAHLLOKOSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)c1 ZINC000072412087 176399041 /nfs/dbraw/zinc/39/90/41/176399041.db2.gz VJSQMJKRQRIOFZ-OAHLLOKOSA-N 2 2 294.414 3.141 50 0 CGAALP [NH3+]C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000038526551 303393754 /nfs/dbraw/zinc/39/37/54/303393754.db2.gz CJSVPNMXGOFFPB-AWEZNQCLSA-N 2 2 252.789 3.216 50 0 CGAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OC)c(C)c1C ZINC000952973409 615751682 /nfs/dbraw/zinc/75/16/82/615751682.db2.gz CPPNCLGBIRUVOA-MRXNPFEDSA-N 2 2 287.407 3.077 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001506406425 937989830 /nfs/dbraw/zinc/98/98/30/937989830.db2.gz KLMNVSRMWIKRJM-LLVKDONJSA-N 2 2 295.789 3.416 50 0 CGAALP C[NH+](C)[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000195553898 282208087 /nfs/dbraw/zinc/20/80/87/282208087.db2.gz XYLYTZVLICOVEU-LMMKCTJWSA-N 2 2 295.430 3.243 50 0 CGAALP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H](c2ccco2)C1 ZINC000183183365 189349107 /nfs/dbraw/zinc/34/91/07/189349107.db2.gz NUNDUXKGDUPTGV-GJZGRUSLSA-N 2 2 273.380 3.339 50 0 CGAALP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](c2ccco2)C1 ZINC000183183365 189349108 /nfs/dbraw/zinc/34/91/08/189349108.db2.gz NUNDUXKGDUPTGV-GJZGRUSLSA-N 2 2 273.380 3.339 50 0 CGAALP [NH3+]CC[NH2+][C@@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000022917555 368814829 /nfs/dbraw/zinc/81/48/29/368814829.db2.gz QHMZRIOWDJQBHT-HNNXBMFYSA-N 2 2 294.320 3.343 50 0 CGAALP CCc1[nH]c(C[NH+]2CCC(c3ccncc3)CC2)c(C)[nH+]1 ZINC000065396223 369672905 /nfs/dbraw/zinc/67/29/05/369672905.db2.gz CVXYXVBECRUAKP-UHFFFAOYSA-N 2 2 284.407 3.055 50 0 CGAALP Cc1ccc(-c2[nH+]ccn2CCn2cc[nH+]c2)c(C)c1F ZINC000067856639 369733526 /nfs/dbraw/zinc/73/35/26/369733526.db2.gz ZGUOAUJAIFFKPS-UHFFFAOYSA-N 2 2 284.338 3.203 50 0 CGAALP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644645 370153826 /nfs/dbraw/zinc/15/38/26/370153826.db2.gz VUYHCFRHTOSXFK-RISCZKNCSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000093644645 370153829 /nfs/dbraw/zinc/15/38/29/370153829.db2.gz VUYHCFRHTOSXFK-RISCZKNCSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644645 370153832 /nfs/dbraw/zinc/15/38/32/370153832.db2.gz VUYHCFRHTOSXFK-RISCZKNCSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644645 370153835 /nfs/dbraw/zinc/15/38/35/370153835.db2.gz VUYHCFRHTOSXFK-RISCZKNCSA-N 2 2 284.806 3.394 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000091315048 541967050 /nfs/dbraw/zinc/96/70/50/541967050.db2.gz JPGICUGNYWXNDE-AEFFLSMTSA-N 2 2 281.403 3.247 50 0 CGAALP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cn1cc[nH+]c1 ZINC000249284508 377487242 /nfs/dbraw/zinc/48/72/42/377487242.db2.gz OUPKWFSLEXWTCY-UPJWGTAASA-N 2 2 289.345 3.230 50 0 CGAALP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000253369872 377686615 /nfs/dbraw/zinc/68/66/15/377686615.db2.gz JGJFVNHVMBJDEL-QAPCUYQASA-N 2 2 299.418 3.044 50 0 CGAALP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000253369872 377686622 /nfs/dbraw/zinc/68/66/22/377686622.db2.gz JGJFVNHVMBJDEL-QAPCUYQASA-N 2 2 299.418 3.044 50 0 CGAALP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Cl ZINC000020360996 171159143 /nfs/dbraw/zinc/15/91/43/171159143.db2.gz GIAHCGUCBZLYHK-GFCCVEGCSA-N 2 2 263.772 3.277 50 0 CGAALP Cc1cccnc1Cn1cc[nH+]c1C1CC[NH+](C(C)C)CC1 ZINC000071751982 176260096 /nfs/dbraw/zinc/26/00/96/176260096.db2.gz XMJURXJJLYSNQW-UHFFFAOYSA-N 2 2 298.434 3.223 50 0 CGAALP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000096479334 529117449 /nfs/dbraw/zinc/11/74/49/529117449.db2.gz YJVUEVKSSSKFDM-INIZCTEOSA-N 2 2 282.378 3.346 50 0 CGAALP CC[N@H+](C)C[C@H](C)Cn1c[nH+]c(-c2ccccc2)c1C ZINC000065431151 798907911 /nfs/dbraw/zinc/90/79/11/798907911.db2.gz RTDFOVBRQJDSEA-AWEZNQCLSA-N 2 2 271.408 3.446 50 0 CGAALP CC[N@@H+](C)C[C@H](C)Cn1c[nH+]c(-c2ccccc2)c1C ZINC000065431151 798907915 /nfs/dbraw/zinc/90/79/15/798907915.db2.gz RTDFOVBRQJDSEA-AWEZNQCLSA-N 2 2 271.408 3.446 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+](C)Cc1sccc1C ZINC001506429080 937990143 /nfs/dbraw/zinc/99/01/43/937990143.db2.gz UYUDHBFRURSVQC-CYBMUJFWSA-N 2 2 277.437 3.336 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+](C)Cc1sccc1C ZINC001506429080 937990144 /nfs/dbraw/zinc/99/01/44/937990144.db2.gz UYUDHBFRURSVQC-CYBMUJFWSA-N 2 2 277.437 3.336 50 0 CGAALP CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090725474 180032920 /nfs/dbraw/zinc/03/29/20/180032920.db2.gz MZECFSQOFSRDDI-STQMWFEESA-N 2 2 275.421 3.274 50 0 CGAALP C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058280738 369561701 /nfs/dbraw/zinc/56/17/01/369561701.db2.gz PAZPKJIKIKVPPM-CQSZACIVSA-N 2 2 293.370 3.429 50 0 CGAALP CCc1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(C)[nH+]1 ZINC000065527215 369682728 /nfs/dbraw/zinc/68/27/28/369682728.db2.gz NUNXTIWXTRRPLQ-OAHLLOKOSA-N 2 2 270.380 3.013 50 0 CGAALP CCc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccccn2)c(C)[nH+]1 ZINC000065527215 369682732 /nfs/dbraw/zinc/68/27/32/369682732.db2.gz NUNXTIWXTRRPLQ-OAHLLOKOSA-N 2 2 270.380 3.013 50 0 CGAALP C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067694515 369725737 /nfs/dbraw/zinc/72/57/37/369725737.db2.gz FQPNLLFYDDGFRY-OAHLLOKOSA-N 2 2 292.386 3.460 50 0 CGAALP C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067694515 369725741 /nfs/dbraw/zinc/72/57/41/369725741.db2.gz FQPNLLFYDDGFRY-OAHLLOKOSA-N 2 2 292.386 3.460 50 0 CGAALP c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000067843399 369732595 /nfs/dbraw/zinc/73/25/95/369732595.db2.gz RGGLDJMARVAQGW-INIZCTEOSA-N 2 2 281.403 3.283 50 0 CGAALP c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000067843399 369732601 /nfs/dbraw/zinc/73/26/01/369732601.db2.gz RGGLDJMARVAQGW-INIZCTEOSA-N 2 2 281.403 3.283 50 0 CGAALP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000095411866 370185658 /nfs/dbraw/zinc/18/56/58/370185658.db2.gz AOHHSMFAGBANNO-XLIONFOSSA-N 2 2 294.442 3.482 50 0 CGAALP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000095411866 370185659 /nfs/dbraw/zinc/18/56/59/370185659.db2.gz AOHHSMFAGBANNO-XLIONFOSSA-N 2 2 294.442 3.482 50 0 CGAALP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000093644948 370153200 /nfs/dbraw/zinc/15/32/00/370153200.db2.gz NDYDITFXUMLQSD-JQWIXIFHSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@H+]1C ZINC000093644948 370153204 /nfs/dbraw/zinc/15/32/04/370153204.db2.gz NDYDITFXUMLQSD-JQWIXIFHSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644948 370153209 /nfs/dbraw/zinc/15/32/09/370153209.db2.gz NDYDITFXUMLQSD-JQWIXIFHSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644948 370153213 /nfs/dbraw/zinc/15/32/13/370153213.db2.gz NDYDITFXUMLQSD-JQWIXIFHSA-N 2 2 286.341 3.018 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000091315053 541966900 /nfs/dbraw/zinc/96/69/00/541966900.db2.gz JPGICUGNYWXNDE-SJLPKXTDSA-N 2 2 281.403 3.247 50 0 CGAALP [NH3+][C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000216225727 376161661 /nfs/dbraw/zinc/16/16/61/376161661.db2.gz HQERUFKAUZWTIM-ZDUSSCGKSA-N 2 2 264.438 3.329 50 0 CGAALP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)s2)C1 ZINC000216225727 376161665 /nfs/dbraw/zinc/16/16/65/376161665.db2.gz HQERUFKAUZWTIM-ZDUSSCGKSA-N 2 2 264.438 3.329 50 0 CGAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000225786849 376326785 /nfs/dbraw/zinc/32/67/85/376326785.db2.gz YCVKFDDGIOALBL-ZDUSSCGKSA-N 2 2 281.469 3.131 50 0 CGAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCSC(C)(C)C)C1 ZINC000225786849 376326792 /nfs/dbraw/zinc/32/67/92/376326792.db2.gz YCVKFDDGIOALBL-ZDUSSCGKSA-N 2 2 281.469 3.131 50 0 CGAALP CC[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000004022938 276149710 /nfs/dbraw/zinc/14/97/10/276149710.db2.gz MCSMIHDZYAGZDX-ZBFHGGJFSA-N 2 2 250.430 3.125 50 0 CGAALP CC[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000004022938 276149712 /nfs/dbraw/zinc/14/97/12/276149712.db2.gz MCSMIHDZYAGZDX-ZBFHGGJFSA-N 2 2 250.430 3.125 50 0 CGAALP c1cn(-c2ccccc2C[NH2+]C2CCCCC2)c[nH+]1 ZINC000123703998 798995052 /nfs/dbraw/zinc/99/50/52/798995052.db2.gz YDFINFZILAZLKW-UHFFFAOYSA-N 2 2 255.365 3.295 50 0 CGAALP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccco3)CC2)cn1 ZINC000584895717 346722942 /nfs/dbraw/zinc/72/29/42/346722942.db2.gz UPAZWZDOCWYPMB-OAHLLOKOSA-N 2 2 299.418 3.298 50 0 CGAALP CS[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090725475 180032712 /nfs/dbraw/zinc/03/27/12/180032712.db2.gz MZECFSQOFSRDDI-OLZOCXBDSA-N 2 2 275.421 3.274 50 0 CGAALP [NH3+][C@H](CCc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000000518219 368382531 /nfs/dbraw/zinc/38/25/31/368382531.db2.gz QTRWITHPFNVZEQ-LLVKDONJSA-N 2 2 291.358 3.072 50 0 biogenic CGAALP Cc1ccccc1[C@@H](C[NH2+]C1CCSCC1)[NH+](C)C ZINC000065507566 369680780 /nfs/dbraw/zinc/68/07/80/369680780.db2.gz UOMOSADMYBYIGL-MRXNPFEDSA-N 2 2 278.465 3.083 50 0 CGAALP CC(C)n1cc[nH+]c1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095357519 370177331 /nfs/dbraw/zinc/17/73/31/370177331.db2.gz ODUDVFHMMHFZRC-AWEZNQCLSA-N 2 2 270.380 3.243 50 0 CGAALP Cc1[nH]c(C)c(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426597394 372165880 /nfs/dbraw/zinc/16/58/80/372165880.db2.gz KULZXWAGPXQYKZ-ZDUSSCGKSA-N 2 2 285.391 3.087 50 0 CGAALP Cc1[nH]c(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(C)[nH+]1 ZINC000426597394 372165888 /nfs/dbraw/zinc/16/58/88/372165888.db2.gz KULZXWAGPXQYKZ-ZDUSSCGKSA-N 2 2 285.391 3.087 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000277060903 379056049 /nfs/dbraw/zinc/05/60/49/379056049.db2.gz DHLAFZIBDADHFN-LSDHHAIUSA-N 2 2 264.438 3.052 50 0 CGAALP Cc1[nH+]ccn1CC[C@H](C)[NH+]1CC(Oc2cccc(C)c2)C1 ZINC000670471854 543156742 /nfs/dbraw/zinc/15/67/42/543156742.db2.gz SMHHDMOJFDTKKP-HNNXBMFYSA-N 2 2 299.418 3.042 50 0 CGAALP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020305533 171142234 /nfs/dbraw/zinc/14/22/34/171142234.db2.gz NZIRKSXWIPMIEW-LJQANCHMSA-N 2 2 280.415 3.359 50 0 CGAALP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020305533 171142236 /nfs/dbraw/zinc/14/22/36/171142236.db2.gz NZIRKSXWIPMIEW-LJQANCHMSA-N 2 2 280.415 3.359 50 0 CGAALP CCc1cc(OCCCC[NH2+]CC[NH+](C)C)ccc1Cl ZINC000020418819 171183589 /nfs/dbraw/zinc/18/35/89/171183589.db2.gz JBMLJBXMZYJXJU-UHFFFAOYSA-N 2 2 298.858 3.213 50 0 CGAALP COc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000022455527 171388393 /nfs/dbraw/zinc/38/83/93/171388393.db2.gz HBRULDLGSGQNDI-MRXNPFEDSA-N 2 2 290.451 3.092 50 0 CGAALP Cc1cc(NCCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000035206348 172050368 /nfs/dbraw/zinc/05/03/68/172050368.db2.gz AUXRTCPSDQHPGG-UHFFFAOYSA-N 2 2 266.348 3.242 50 0 CGAALP C[C@@H](CC[N@@H+]1CCCn2c[nH+]cc2C1)c1ccccc1 ZINC000072143773 176324367 /nfs/dbraw/zinc/32/43/67/176324367.db2.gz HNTCWAOUWAITFS-HNNXBMFYSA-N 2 2 269.392 3.283 50 0 CGAALP C[C@@H](CC[N@H+]1CCCn2c[nH+]cc2C1)c1ccccc1 ZINC000072143773 176324370 /nfs/dbraw/zinc/32/43/70/176324370.db2.gz HNTCWAOUWAITFS-HNNXBMFYSA-N 2 2 269.392 3.283 50 0 CGAALP CC(C)c1cc(N2CCC([NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000089893315 535369493 /nfs/dbraw/zinc/36/94/93/535369493.db2.gz JZBACFCBUPWQCX-UHFFFAOYSA-N 2 2 290.455 3.254 50 0 CGAALP C[C@H]([NH2+]CCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000095985950 185055850 /nfs/dbraw/zinc/05/58/50/185055850.db2.gz MMMOPTGPPWHFAB-JTQLQIEISA-N 2 2 267.735 3.026 50 0 CGAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000095985951 185056021 /nfs/dbraw/zinc/05/60/21/185056021.db2.gz MMMOPTGPPWHFAB-SNVBAGLBSA-N 2 2 267.735 3.026 50 0 CGAALP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000216092 368316793 /nfs/dbraw/zinc/31/67/93/368316793.db2.gz MNOLTTIITCPZRI-QAPCUYQASA-N 2 2 272.436 3.429 50 0 CGAALP Cc1ccc2[nH]c(CCC[NH2+][C@H]3CCSC3)[nH+]c2c1C ZINC000067691425 369726001 /nfs/dbraw/zinc/72/60/01/369726001.db2.gz ZVCOUSKGODAPDC-ZDUSSCGKSA-N 2 2 289.448 3.207 50 0 CGAALP Cc1ccc2[nH+]c(CCC[NH2+][C@H]3CCSC3)[nH]c2c1C ZINC000067691425 369726003 /nfs/dbraw/zinc/72/60/03/369726003.db2.gz ZVCOUSKGODAPDC-ZDUSSCGKSA-N 2 2 289.448 3.207 50 0 CGAALP C[C@@H]1CCC[N@@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000243893331 376789445 /nfs/dbraw/zinc/78/94/45/376789445.db2.gz APXGNXZXXSNRAI-MRXNPFEDSA-N 2 2 299.418 3.337 50 0 CGAALP C[C@@H]1CCC[N@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000243893331 376789455 /nfs/dbraw/zinc/78/94/55/376789455.db2.gz APXGNXZXXSNRAI-MRXNPFEDSA-N 2 2 299.418 3.337 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000277060898 379055872 /nfs/dbraw/zinc/05/58/72/379055872.db2.gz DHLAFZIBDADHFN-GJZGRUSLSA-N 2 2 264.438 3.052 50 0 CGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)s1 ZINC000097155929 392260079 /nfs/dbraw/zinc/26/00/79/392260079.db2.gz BYOOBDCJTQSZQQ-CQSZACIVSA-N 2 2 275.421 3.165 50 0 CGAALP Cc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)s1 ZINC000097155929 392260080 /nfs/dbraw/zinc/26/00/80/392260080.db2.gz BYOOBDCJTQSZQQ-CQSZACIVSA-N 2 2 275.421 3.165 50 0 CGAALP C[C@H](Cc1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035254688 172083947 /nfs/dbraw/zinc/08/39/47/172083947.db2.gz SLLVNOVCHGBKML-CQSZACIVSA-N 2 2 281.359 3.186 50 0 CGAALP Cc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)o1 ZINC000035287266 172105165 /nfs/dbraw/zinc/10/51/65/172105165.db2.gz KVBSUGHZVGAQMM-UHFFFAOYSA-N 2 2 269.348 3.187 50 0 CGAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000004022939 276149877 /nfs/dbraw/zinc/14/98/77/276149877.db2.gz MCSMIHDZYAGZDX-HOCLYGCPSA-N 2 2 250.430 3.125 50 0 CGAALP CC[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000004022939 276149878 /nfs/dbraw/zinc/14/98/78/276149878.db2.gz MCSMIHDZYAGZDX-HOCLYGCPSA-N 2 2 250.430 3.125 50 0 CGAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000252510271 328106019 /nfs/dbraw/zinc/10/60/19/328106019.db2.gz ZFWAUHYETWVQGK-MRXNPFEDSA-N 2 2 299.418 3.291 50 0 CGAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000252510271 328106020 /nfs/dbraw/zinc/10/60/20/328106020.db2.gz ZFWAUHYETWVQGK-MRXNPFEDSA-N 2 2 299.418 3.291 50 0 CGAALP CCCc1nc(C[NH2+][C@@H](C)Cn2cc[nH+]c2CC)cs1 ZINC000534644180 328330055 /nfs/dbraw/zinc/33/00/55/328330055.db2.gz OETDGNJGLKWDBK-LBPRGKRZSA-N 2 2 292.452 3.033 50 0 CGAALP Cc1ccc(-c2ccnc(-c3cccc(C[NH3+])c3)n2)c(C)[nH+]1 ZINC000071589507 327104634 /nfs/dbraw/zinc/10/46/34/327104634.db2.gz HITKSTQOFZQGKH-UHFFFAOYSA-N 2 2 290.370 3.281 50 0 CGAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000002499062 333046472 /nfs/dbraw/zinc/04/64/72/333046472.db2.gz MCSMIHDZYAGZDX-GOEBONIOSA-N 2 2 250.430 3.125 50 0 CGAALP CC[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000002499062 333046473 /nfs/dbraw/zinc/04/64/73/333046473.db2.gz MCSMIHDZYAGZDX-GOEBONIOSA-N 2 2 250.430 3.125 50 0 CGAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071990 345829829 /nfs/dbraw/zinc/82/98/29/345829829.db2.gz XUNOKTLHDXZNTA-LBPRGKRZSA-N 2 2 261.394 3.159 50 0 CGAALP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071990 345829831 /nfs/dbraw/zinc/82/98/31/345829831.db2.gz XUNOKTLHDXZNTA-LBPRGKRZSA-N 2 2 261.394 3.159 50 0 CGAALP Fc1ccc2c(c1)[nH+]c(C1CCC1)n2C1CC[NH2+]CC1 ZINC000299764614 283007748 /nfs/dbraw/zinc/00/77/48/283007748.db2.gz BLDVIOAYGSUMOK-UHFFFAOYSA-N 2 2 273.355 3.367 50 0 CGAALP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000037157026 369072960 /nfs/dbraw/zinc/07/29/60/369072960.db2.gz GBXPNBYOJDOGAV-WDEREUQCSA-N 2 2 281.762 3.415 50 0 CGAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(F)ccc1F)CCC2 ZINC000084257763 370012227 /nfs/dbraw/zinc/01/22/27/370012227.db2.gz PTVIMPKBUYQTEA-GFCCVEGCSA-N 2 2 291.345 3.137 50 0 CGAALP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(F)c(F)c1 ZINC000084647930 370014005 /nfs/dbraw/zinc/01/40/05/370014005.db2.gz MVJVMJQOCPVTML-WCQYABFASA-N 2 2 291.345 3.390 50 0 CGAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)s1)CCC2 ZINC000089656588 370044403 /nfs/dbraw/zinc/04/44/03/370044403.db2.gz FGCCRQWBYGWBDJ-ZDUSSCGKSA-N 2 2 275.421 3.229 50 0 CGAALP Cc1csc(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000097654228 370250056 /nfs/dbraw/zinc/25/00/56/370250056.db2.gz ORIDSKAMKRMUJT-UHFFFAOYSA-N 2 2 295.477 3.207 50 0 CGAALP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1F ZINC000163461391 372470912 /nfs/dbraw/zinc/47/09/12/372470912.db2.gz AVAOFRGKGNAAEW-INIZCTEOSA-N 2 2 264.388 3.351 50 0 CGAALP CCOC1CC(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000585117275 378397526 /nfs/dbraw/zinc/39/75/26/378397526.db2.gz XDJOSRUCEMAXMU-RYKRPPSOSA-N 2 2 290.451 3.083 50 0 CGAALP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000095411868 184971820 /nfs/dbraw/zinc/97/18/20/184971820.db2.gz AOHHSMFAGBANNO-YLJYHZDGSA-N 2 2 294.442 3.482 50 0 CGAALP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000095411868 184971821 /nfs/dbraw/zinc/97/18/21/184971821.db2.gz AOHHSMFAGBANNO-YLJYHZDGSA-N 2 2 294.442 3.482 50 0 CGAALP COc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000022455522 171388261 /nfs/dbraw/zinc/38/82/61/171388261.db2.gz HBRULDLGSGQNDI-INIZCTEOSA-N 2 2 290.451 3.092 50 0 CGAALP CC(C)(C)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020545896 275536020 /nfs/dbraw/zinc/53/60/20/275536020.db2.gz JURYOVRVOVVMDZ-UHFFFAOYSA-N 2 2 260.425 3.170 50 0 CGAALP Cc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2cccnc2)cc1C ZINC000952989320 636777582 /nfs/dbraw/zinc/77/75/82/636777582.db2.gz PXMNIMSVCMRUQZ-LJQANCHMSA-N 2 2 295.430 3.129 50 0 CGAALP [NH3+][C@@H](CCc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000000518218 368382681 /nfs/dbraw/zinc/38/26/81/368382681.db2.gz QTRWITHPFNVZEQ-NSHDSACASA-N 2 2 291.358 3.072 50 0 biogenic CGAALP c1ccc([C@H](C[NH2+]Cc2cccnc2)[NH+]2CCCC2)cc1 ZINC000020096454 368802178 /nfs/dbraw/zinc/80/21/78/368802178.db2.gz KDRWEFOILGNGME-SFHVURJKSA-N 2 2 281.403 3.008 50 0 CGAALP c1ccc([C@@H](C[NH2+]Cc2cccnc2)[NH+]2CCCC2)cc1 ZINC000020096456 368802344 /nfs/dbraw/zinc/80/23/44/368802344.db2.gz KDRWEFOILGNGME-GOSISDBHSA-N 2 2 281.403 3.008 50 0 CGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000095381044 370181438 /nfs/dbraw/zinc/18/14/38/370181438.db2.gz HKPIHTCIJXYIDZ-MRXNPFEDSA-N 2 2 298.434 3.458 50 0 CGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000095381044 370181446 /nfs/dbraw/zinc/18/14/46/370181446.db2.gz HKPIHTCIJXYIDZ-MRXNPFEDSA-N 2 2 298.434 3.458 50 0 CGAALP C[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249685991 377522446 /nfs/dbraw/zinc/52/24/46/377522446.db2.gz GGYDZHXFRUGJTK-PAYONLEZSA-N 2 2 279.387 3.488 50 0 CGAALP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000005268614 170081762 /nfs/dbraw/zinc/08/17/62/170081762.db2.gz XLDHXYDHPOYSHZ-UHFFFAOYSA-N 2 2 277.371 3.471 50 0 CGAALP Cc1cc(C[N@@H+](C)CC[C@H](C)[NH+]2CCCC2)oc1C ZINC000952869225 800685174 /nfs/dbraw/zinc/68/51/74/800685174.db2.gz MRLHTNXRFFEZBI-AWEZNQCLSA-N 2 2 264.413 3.203 50 0 CGAALP Cc1cc(C[N@H+](C)CC[C@H](C)[NH+]2CCCC2)oc1C ZINC000952869225 800685178 /nfs/dbraw/zinc/68/51/78/800685178.db2.gz MRLHTNXRFFEZBI-AWEZNQCLSA-N 2 2 264.413 3.203 50 0 CGAALP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1C ZINC000195558110 346274027 /nfs/dbraw/zinc/27/40/27/346274027.db2.gz MBLBOWYKHTVRJV-GDBMZVCRSA-N 2 2 299.418 3.174 50 0 CGAALP C[C@H](c1cccc(-c2cc[nH+]c(N)c2)c1)[NH+]1CCCC1 ZINC000215075121 189690677 /nfs/dbraw/zinc/69/06/77/189690677.db2.gz GKRLRALBOIZVLM-CYBMUJFWSA-N 2 2 267.376 3.488 50 0 CGAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000022936125 368814231 /nfs/dbraw/zinc/81/42/31/368814231.db2.gz XVCWYWQVZDVTBI-CQSZACIVSA-N 2 2 297.240 3.023 50 0 CGAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000022936125 368814237 /nfs/dbraw/zinc/81/42/37/368814237.db2.gz XVCWYWQVZDVTBI-CQSZACIVSA-N 2 2 297.240 3.023 50 0 CGAALP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)Cn1cc[nH+]c1 ZINC000129541847 370991478 /nfs/dbraw/zinc/99/14/78/370991478.db2.gz OUPKWFSLEXWTCY-FRRDWIJNSA-N 2 2 289.345 3.230 50 0 CGAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680886 369605958 /nfs/dbraw/zinc/60/59/58/369605958.db2.gz ABSJJRMEYARXHF-ZDUSSCGKSA-N 2 2 298.415 3.185 50 0 CGAALP Cc1nc(N2CCC(Cn3cc[nH+]c3)CC2)cc(C(C)C)[nH+]1 ZINC000065386305 369670497 /nfs/dbraw/zinc/67/04/97/369670497.db2.gz XPMSDHSDJRRSFB-UHFFFAOYSA-N 2 2 299.422 3.022 50 0 CGAALP Cc1cnccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067655124 369722027 /nfs/dbraw/zinc/72/20/27/369722027.db2.gz MJDVPZMKDGBVNK-UHFFFAOYSA-N 2 2 292.386 3.208 50 0 CGAALP Cc1cnccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067655124 369722033 /nfs/dbraw/zinc/72/20/33/369722033.db2.gz MJDVPZMKDGBVNK-UHFFFAOYSA-N 2 2 292.386 3.208 50 0 CGAALP CC(C)(C)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000089643048 370045178 /nfs/dbraw/zinc/04/51/78/370045178.db2.gz ZJFJAAQTSCYQDP-UHFFFAOYSA-N 2 2 257.381 3.067 50 0 CGAALP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000089904842 370050099 /nfs/dbraw/zinc/05/00/99/370050099.db2.gz TYBUYTBFPPZYOY-AWEZNQCLSA-N 2 2 295.386 3.236 50 0 CGAALP CC1(C)C[N@H+](CCc2[nH]cc[nH+]2)C[C@@H]1c1ccccc1 ZINC000426434396 372157605 /nfs/dbraw/zinc/15/76/05/372157605.db2.gz ATXDYDSIAPOTCK-OAHLLOKOSA-N 2 2 269.392 3.078 50 0 CGAALP CC1(C)C[N@@H+](CCc2[nH]cc[nH+]2)C[C@@H]1c1ccccc1 ZINC000426434396 372157613 /nfs/dbraw/zinc/15/76/13/372157613.db2.gz ATXDYDSIAPOTCK-OAHLLOKOSA-N 2 2 269.392 3.078 50 0 CGAALP C[C@H]([NH2+]CCC1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117339 378397478 /nfs/dbraw/zinc/39/74/78/378397478.db2.gz YSCUSPLUPRNRDZ-YJBOKZPZSA-N 2 2 290.451 3.084 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000409421100 380030903 /nfs/dbraw/zinc/03/09/03/380030903.db2.gz HNVSRIZRHGHCMC-QGZVFWFLSA-N 2 2 296.418 3.443 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000409421100 380030911 /nfs/dbraw/zinc/03/09/11/380030911.db2.gz HNVSRIZRHGHCMC-QGZVFWFLSA-N 2 2 296.418 3.443 50 0 CGAALP COCC[C@@H](C)[NH2+]CCCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000534585529 328315291 /nfs/dbraw/zinc/31/52/91/328315291.db2.gz LYNKHXHJIGDNPB-CYBMUJFWSA-N 2 2 289.423 3.127 50 0 CGAALP COCC[C@@H](C)[NH2+]CCCc1[nH]c2c(ccc(C)c2C)[nH+]1 ZINC000534585529 328315292 /nfs/dbraw/zinc/31/52/92/328315292.db2.gz LYNKHXHJIGDNPB-CYBMUJFWSA-N 2 2 289.423 3.127 50 0 CGAALP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000002811179 618598363 /nfs/dbraw/zinc/59/83/63/618598363.db2.gz ITLZPMWDOBMQAY-UHFFFAOYSA-N 2 2 286.341 3.231 50 0 CGAALP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000002811179 618598373 /nfs/dbraw/zinc/59/83/73/618598373.db2.gz ITLZPMWDOBMQAY-UHFFFAOYSA-N 2 2 286.341 3.231 50 0 CGAALP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000096489348 230382338 /nfs/dbraw/zinc/38/23/38/230382338.db2.gz SHAIJNLQZZLJEH-ZFWWWQNUSA-N 2 2 255.365 3.030 50 0 CGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000072274485 345408212 /nfs/dbraw/zinc/40/82/12/345408212.db2.gz CYMFWTIYFNNGRB-QAPCUYQASA-N 2 2 281.403 3.007 50 0 CGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000072274485 345408213 /nfs/dbraw/zinc/40/82/13/345408213.db2.gz CYMFWTIYFNNGRB-QAPCUYQASA-N 2 2 281.403 3.007 50 0 CGAALP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1C ZINC000195558112 346274160 /nfs/dbraw/zinc/27/41/60/346274160.db2.gz MBLBOWYKHTVRJV-GOEBONIOSA-N 2 2 299.418 3.174 50 0 CGAALP CCc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)on1 ZINC000072475179 369822741 /nfs/dbraw/zinc/82/27/41/369822741.db2.gz YTAMBMBUOZUICS-INIZCTEOSA-N 2 2 291.439 3.077 50 0 CGAALP CCc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)on1 ZINC000072475179 369822744 /nfs/dbraw/zinc/82/27/44/369822744.db2.gz YTAMBMBUOZUICS-INIZCTEOSA-N 2 2 291.439 3.077 50 0 CGAALP C1=C(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000090798578 370070018 /nfs/dbraw/zinc/07/00/18/370070018.db2.gz SYCBSIAJQIKZTO-UHFFFAOYSA-N 2 2 285.435 3.136 50 0 CGAALP CCCc1[nH]cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426734008 372171265 /nfs/dbraw/zinc/17/12/65/372171265.db2.gz MBJUARGQFICQHG-AWEZNQCLSA-N 2 2 299.418 3.422 50 0 CGAALP CC(C)CC[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000225413799 376308368 /nfs/dbraw/zinc/30/83/68/376308368.db2.gz BFTSYSXNQLBPGJ-UHFFFAOYSA-N 2 2 266.454 3.348 50 0 CGAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000004745778 170010632 /nfs/dbraw/zinc/01/06/32/170010632.db2.gz CFTULVCEAKZFAT-UHFFFAOYSA-N 2 2 288.435 3.146 50 0 CGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000071857567 274278300 /nfs/dbraw/zinc/27/83/00/274278300.db2.gz LREUFWQPTRHVSA-YJBOKZPZSA-N 2 2 281.403 3.007 50 0 CGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000071857567 274278302 /nfs/dbraw/zinc/27/83/02/274278302.db2.gz LREUFWQPTRHVSA-YJBOKZPZSA-N 2 2 281.403 3.007 50 0 CGAALP Cc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1C ZINC000096476307 230379519 /nfs/dbraw/zinc/37/95/19/230379519.db2.gz WXHTWFLCJWQHRH-OAHLLOKOSA-N 2 2 257.381 3.241 50 0 CGAALP c1ccc2c(c1)cccc2C[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000019945978 368787618 /nfs/dbraw/zinc/78/76/18/368787618.db2.gz DIIHGPYNGXGAAV-SFHVURJKSA-N 2 2 266.388 3.024 50 0 CGAALP [NH3+]C[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000038526553 369146661 /nfs/dbraw/zinc/14/66/61/369146661.db2.gz ZWIQYOYNKDZSIM-AWEZNQCLSA-N 2 2 252.789 3.216 50 0 CGAALP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC000067688545 369724165 /nfs/dbraw/zinc/72/41/65/369724165.db2.gz CTXBDTBRQWJTAC-SFHVURJKSA-N 2 2 270.420 3.351 50 0 CGAALP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC000067688545 369724169 /nfs/dbraw/zinc/72/41/69/369724169.db2.gz CTXBDTBRQWJTAC-SFHVURJKSA-N 2 2 270.420 3.351 50 0 CGAALP CNc1cc(C)[nH+]c(-c2ccc([C@H](C)[NH+](C)C)cc2)n1 ZINC000097243660 370236334 /nfs/dbraw/zinc/23/63/34/370236334.db2.gz QTHDJNYGVKWAKB-LBPRGKRZSA-N 2 2 270.380 3.116 50 0 CGAALP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000536649115 376109884 /nfs/dbraw/zinc/10/98/84/376109884.db2.gz BKJODGWJLAIIOT-GFCCVEGCSA-N 2 2 275.421 3.413 50 0 CGAALP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000536649115 376109890 /nfs/dbraw/zinc/10/98/90/376109890.db2.gz BKJODGWJLAIIOT-GFCCVEGCSA-N 2 2 275.421 3.413 50 0 CGAALP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000215866048 376152405 /nfs/dbraw/zinc/15/24/05/376152405.db2.gz FZLIFZGPGADKSR-LBPRGKRZSA-N 2 2 270.804 3.239 50 0 CGAALP C[NH+](C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)o1 ZINC000215866048 376152410 /nfs/dbraw/zinc/15/24/10/376152410.db2.gz FZLIFZGPGADKSR-LBPRGKRZSA-N 2 2 270.804 3.239 50 0 CGAALP CC[N@@H+]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000252494061 377632649 /nfs/dbraw/zinc/63/26/49/377632649.db2.gz NKALHNAMXKCQNS-OAHLLOKOSA-N 2 2 250.430 3.029 50 0 CGAALP CC[N@H+]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000252494061 377632652 /nfs/dbraw/zinc/63/26/52/377632652.db2.gz NKALHNAMXKCQNS-OAHLLOKOSA-N 2 2 250.430 3.029 50 0 CGAALP C[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCCC1 ZINC000022045037 171350805 /nfs/dbraw/zinc/35/08/05/171350805.db2.gz HCARPNGFUIAUHZ-INIZCTEOSA-N 2 2 260.425 3.083 50 0 CGAALP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCCn2c[nH+]cc2C1 ZINC000072164592 176331360 /nfs/dbraw/zinc/33/13/60/176331360.db2.gz GPFQODWCLSHRIS-UHFFFAOYSA-N 2 2 298.365 3.218 50 0 CGAALP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCn2c[nH+]cc2C1 ZINC000072164592 176331361 /nfs/dbraw/zinc/33/13/61/176331361.db2.gz GPFQODWCLSHRIS-UHFFFAOYSA-N 2 2 298.365 3.218 50 0 CGAALP Cc1[nH+]ccn1Cc1cccc(CNc2cccc[nH+]2)c1 ZINC000084290945 416495253 /nfs/dbraw/zinc/49/52/53/416495253.db2.gz POYSAECEUIXYJJ-UHFFFAOYSA-N 2 2 278.359 3.247 50 0 CGAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Cl)cncc1Cl ZINC000952861519 800684984 /nfs/dbraw/zinc/68/49/84/800684984.db2.gz HRHPYJXLIIAEOH-JTQLQIEISA-N 2 2 299.205 3.153 50 0 CGAALP Cc1cccc([C@H]2CCC[N@H+](CCc3[nH]cc[nH+]3)C2)c1 ZINC001529186794 938071567 /nfs/dbraw/zinc/07/15/67/938071567.db2.gz JZXWULCXGADVTM-INIZCTEOSA-N 2 2 269.392 3.140 50 0 CGAALP Cc1cccc([C@H]2CCC[N@@H+](CCc3[nH]cc[nH+]3)C2)c1 ZINC001529186794 938071568 /nfs/dbraw/zinc/07/15/68/938071568.db2.gz JZXWULCXGADVTM-INIZCTEOSA-N 2 2 269.392 3.140 50 0 CGAALP COc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000000243813 368323200 /nfs/dbraw/zinc/32/32/00/368323200.db2.gz HJZOCZZRAZRASE-UHFFFAOYSA-N 2 2 288.435 3.146 50 0 CGAALP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000034863243 368979385 /nfs/dbraw/zinc/97/93/85/368979385.db2.gz BWSHFQZRQUKHHL-UHFFFAOYSA-N 2 2 284.403 3.342 50 0 CGAALP c1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000069531472 369763469 /nfs/dbraw/zinc/76/34/69/369763469.db2.gz FAZBZAPZZYGVFY-SFHVURJKSA-N 2 2 287.451 3.170 50 0 CGAALP c1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000069531472 369763473 /nfs/dbraw/zinc/76/34/73/369763473.db2.gz FAZBZAPZZYGVFY-SFHVURJKSA-N 2 2 287.451 3.170 50 0 CGAALP Cc1cc(N2CCC[C@]3(CC[N@@H+](C)C3)C2)[nH+]c2ccccc12 ZINC000067804165 369730161 /nfs/dbraw/zinc/73/01/61/369730161.db2.gz FBZZMCFAAOHMLE-LJQANCHMSA-N 2 2 295.430 3.465 50 0 CGAALP Cc1cc(N2CCC[C@]3(CC[N@H+](C)C3)C2)[nH+]c2ccccc12 ZINC000067804165 369730164 /nfs/dbraw/zinc/73/01/64/369730164.db2.gz FBZZMCFAAOHMLE-LJQANCHMSA-N 2 2 295.430 3.465 50 0 CGAALP C1=C(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000090798609 370069721 /nfs/dbraw/zinc/06/97/21/370069721.db2.gz QPSBPHQQWULBIQ-UHFFFAOYSA-N 2 2 285.435 3.136 50 0 CGAALP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000170088212 372634879 /nfs/dbraw/zinc/63/48/79/372634879.db2.gz CNYLBGQCNMPGAD-RHSMWYFYSA-N 2 2 285.391 3.092 50 0 CGAALP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)o1 ZINC000214964886 376144091 /nfs/dbraw/zinc/14/40/91/376144091.db2.gz SVNZAYULCDPDLR-INIZCTEOSA-N 2 2 270.376 3.178 50 0 CGAALP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)o1 ZINC000214964886 376144096 /nfs/dbraw/zinc/14/40/96/376144096.db2.gz SVNZAYULCDPDLR-INIZCTEOSA-N 2 2 270.376 3.178 50 0 CGAALP Cc1[nH]c(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)c[nH+]1 ZINC000216425270 376164433 /nfs/dbraw/zinc/16/44/33/376164433.db2.gz GCWUFCPSZXVWTH-KRWDZBQOSA-N 2 2 299.418 3.411 50 0 CGAALP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000375001246 392725538 /nfs/dbraw/zinc/72/55/38/392725538.db2.gz ALNQWSOEZMHOLS-QGZVFWFLSA-N 2 2 283.419 3.399 50 0 CGAALP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000375001246 392725544 /nfs/dbraw/zinc/72/55/44/392725544.db2.gz ALNQWSOEZMHOLS-QGZVFWFLSA-N 2 2 283.419 3.399 50 0 CGAALP C[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004989186 170049971 /nfs/dbraw/zinc/04/99/71/170049971.db2.gz AJOBIHBUWYBCQT-MRXNPFEDSA-N 2 2 272.436 3.383 50 0 CGAALP C[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004989186 170049973 /nfs/dbraw/zinc/04/99/73/170049973.db2.gz AJOBIHBUWYBCQT-MRXNPFEDSA-N 2 2 272.436 3.383 50 0 CGAALP C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035254686 172083993 /nfs/dbraw/zinc/08/39/93/172083993.db2.gz SLLVNOVCHGBKML-AWEZNQCLSA-N 2 2 281.359 3.186 50 0 CGAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529530321 270182514 /nfs/dbraw/zinc/18/25/14/270182514.db2.gz CZQQQWBORZFEGD-NSHDSACASA-N 2 2 293.361 3.368 50 0 CGAALP C[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000097037718 277030664 /nfs/dbraw/zinc/03/06/64/277030664.db2.gz RMIUPMWJCPNIEQ-UHFFFAOYSA-N 2 2 264.800 3.013 50 0 CGAALP C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000000317183 279987144 /nfs/dbraw/zinc/98/71/44/279987144.db2.gz WLCZCODIFJSGEQ-HOTGVXAUSA-N 2 2 287.451 3.024 50 0 CGAALP [NH3+]C[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000038526549 295264670 /nfs/dbraw/zinc/26/46/70/295264670.db2.gz CJSVPNMXGOFFPB-CQSZACIVSA-N 2 2 252.789 3.216 50 0 CGAALP CCCc1nc(C[NH2+][C@H](C)Cn2cc[nH+]c2CC)cs1 ZINC000534644179 328329866 /nfs/dbraw/zinc/32/98/66/328329866.db2.gz OETDGNJGLKWDBK-GFCCVEGCSA-N 2 2 292.452 3.033 50 0 CGAALP C[C@@H](C[NH2+]Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000237380731 333379146 /nfs/dbraw/zinc/37/91/46/333379146.db2.gz NHQAKGZSQPQMHV-INIZCTEOSA-N 2 2 280.415 3.223 50 0 CGAALP C[C@@H](C[NH2+]Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000237380731 333379147 /nfs/dbraw/zinc/37/91/47/333379147.db2.gz NHQAKGZSQPQMHV-INIZCTEOSA-N 2 2 280.415 3.223 50 0 CGAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084284633 566883472 /nfs/dbraw/zinc/88/34/72/566883472.db2.gz XOEFIJSHGOGLDN-HNNXBMFYSA-N 2 2 298.434 3.243 50 0 CGAALP CC1(C)C[C@@H](C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000952872485 800686330 /nfs/dbraw/zinc/68/63/30/800686330.db2.gz OKMSVPUURWOEIJ-HNNXBMFYSA-N 2 2 299.418 3.167 50 0 CGAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000095985866 185056072 /nfs/dbraw/zinc/05/60/72/185056072.db2.gz MPZDCPFQIFFWDX-OAHLLOKOSA-N 2 2 292.386 3.296 50 0 CGAALP c1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000069531468 369762923 /nfs/dbraw/zinc/76/29/23/369762923.db2.gz FAZBZAPZZYGVFY-GOSISDBHSA-N 2 2 287.451 3.170 50 0 CGAALP c1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000069531468 369762928 /nfs/dbraw/zinc/76/29/28/369762928.db2.gz FAZBZAPZZYGVFY-GOSISDBHSA-N 2 2 287.451 3.170 50 0 CGAALP Fc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000080959022 369992313 /nfs/dbraw/zinc/99/23/13/369992313.db2.gz FPHKTZPBGCNIBV-GFCCVEGCSA-N 2 2 277.318 3.068 50 0 CGAALP Fc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000080959022 369992316 /nfs/dbraw/zinc/99/23/16/369992316.db2.gz FPHKTZPBGCNIBV-GFCCVEGCSA-N 2 2 277.318 3.068 50 0 CGAALP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929819 376154993 /nfs/dbraw/zinc/15/49/93/376154993.db2.gz OTCDKPNVYFFOHO-HNNXBMFYSA-N 2 2 282.815 3.241 50 0 CGAALP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929819 376155000 /nfs/dbraw/zinc/15/50/00/376155000.db2.gz OTCDKPNVYFFOHO-HNNXBMFYSA-N 2 2 282.815 3.241 50 0 CGAALP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929819 376155007 /nfs/dbraw/zinc/15/50/07/376155007.db2.gz OTCDKPNVYFFOHO-HNNXBMFYSA-N 2 2 282.815 3.241 50 0 CGAALP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929819 376155013 /nfs/dbraw/zinc/15/50/13/376155013.db2.gz OTCDKPNVYFFOHO-HNNXBMFYSA-N 2 2 282.815 3.241 50 0 CGAALP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCSCC1 ZINC000216057508 376157188 /nfs/dbraw/zinc/15/71/88/376157188.db2.gz RAUDAZZYTNBURY-UHFFFAOYSA-N 2 2 287.432 3.200 50 0 CGAALP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCSCC1 ZINC000216057508 376157194 /nfs/dbraw/zinc/15/71/94/376157194.db2.gz RAUDAZZYTNBURY-UHFFFAOYSA-N 2 2 287.432 3.200 50 0 CGAALP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc2c1OC(C)(C)C2 ZINC000225678922 376321631 /nfs/dbraw/zinc/32/16/31/376321631.db2.gz KTCWDCIXYNALET-UHFFFAOYSA-N 2 2 299.418 3.119 50 0 CGAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc2c1OC(C)(C)C2 ZINC000225678922 376321635 /nfs/dbraw/zinc/32/16/35/376321635.db2.gz KTCWDCIXYNALET-UHFFFAOYSA-N 2 2 299.418 3.119 50 0 CGAALP C[C@H]1CCC[N@@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000243893330 376789236 /nfs/dbraw/zinc/78/92/36/376789236.db2.gz APXGNXZXXSNRAI-INIZCTEOSA-N 2 2 299.418 3.337 50 0 CGAALP C[C@H]1CCC[N@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000243893330 376789248 /nfs/dbraw/zinc/78/92/48/376789248.db2.gz APXGNXZXXSNRAI-INIZCTEOSA-N 2 2 299.418 3.337 50 0 CGAALP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](c2ccco2)C1 ZINC000245882292 376925420 /nfs/dbraw/zinc/92/54/20/376925420.db2.gz NUNDUXKGDUPTGV-LSDHHAIUSA-N 2 2 273.380 3.339 50 0 CGAALP CCOC1CC(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000585117273 378397470 /nfs/dbraw/zinc/39/74/70/378397470.db2.gz XDJOSRUCEMAXMU-HRSCSKTISA-N 2 2 290.451 3.083 50 0 CGAALP CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000241776879 393037338 /nfs/dbraw/zinc/03/73/38/393037338.db2.gz RTGXLNOPCGDEMK-ZFWWWQNUSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000241776879 393037341 /nfs/dbraw/zinc/03/73/41/393037341.db2.gz RTGXLNOPCGDEMK-ZFWWWQNUSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000241776879 393037347 /nfs/dbraw/zinc/03/73/47/393037347.db2.gz RTGXLNOPCGDEMK-ZFWWWQNUSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000241776879 393037351 /nfs/dbraw/zinc/03/73/51/393037351.db2.gz RTGXLNOPCGDEMK-ZFWWWQNUSA-N 2 2 295.496 3.394 50 0 CGAALP CCCc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)o1 ZINC000670450513 543155399 /nfs/dbraw/zinc/15/53/99/543155399.db2.gz CJQROHCIBAVGEU-UHFFFAOYSA-N 2 2 287.407 3.341 50 0 CGAALP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000097016520 529626675 /nfs/dbraw/zinc/62/66/75/529626675.db2.gz QACSRQOTLFENMX-KRWDZBQOSA-N 2 2 269.392 3.210 50 0 CGAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000106217015 345930155 /nfs/dbraw/zinc/93/01/55/345930155.db2.gz CQSHWPHPSTVAFI-INIZCTEOSA-N 2 2 299.418 3.161 50 0 CGAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000106217015 345930158 /nfs/dbraw/zinc/93/01/58/345930158.db2.gz CQSHWPHPSTVAFI-INIZCTEOSA-N 2 2 299.418 3.161 50 0 CGAALP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccco3)CC2)cnc1C ZINC000584889423 346722380 /nfs/dbraw/zinc/72/23/80/346722380.db2.gz ROSUQDALVMWLHW-UHFFFAOYSA-N 2 2 299.418 3.046 50 0 CGAALP FCCCC[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1 ZINC000091319817 180133647 /nfs/dbraw/zinc/13/36/47/180133647.db2.gz QRLDPYIAYGIXGR-ZWKOTPCHSA-N 2 2 290.426 3.333 50 0 CGAALP FCCCC[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1 ZINC000091319817 180133649 /nfs/dbraw/zinc/13/36/49/180133649.db2.gz QRLDPYIAYGIXGR-ZWKOTPCHSA-N 2 2 290.426 3.333 50 0 CGAALP FCCCC[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091319817 180133651 /nfs/dbraw/zinc/13/36/51/180133651.db2.gz QRLDPYIAYGIXGR-ZWKOTPCHSA-N 2 2 290.426 3.333 50 0 CGAALP FCCCC[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091319817 180133653 /nfs/dbraw/zinc/13/36/53/180133653.db2.gz QRLDPYIAYGIXGR-ZWKOTPCHSA-N 2 2 290.426 3.333 50 0 CGAALP Fc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000000214815 368317784 /nfs/dbraw/zinc/31/77/84/368317784.db2.gz GAZBEQHMYWWMSC-UHFFFAOYSA-N 2 2 276.399 3.276 50 0 CGAALP c1ccc([C@@H](C[NH2+]Cc2ccncc2)[NH+]2CCCC2)cc1 ZINC000020096472 368802195 /nfs/dbraw/zinc/80/21/95/368802195.db2.gz JOMXRYDAEPHVHN-GOSISDBHSA-N 2 2 281.403 3.008 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037157024 369072200 /nfs/dbraw/zinc/07/22/00/369072200.db2.gz GBXPNBYOJDOGAV-MNOVXSKESA-N 2 2 281.762 3.415 50 0 CGAALP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037157022 369073333 /nfs/dbraw/zinc/07/33/33/369073333.db2.gz GBXPNBYOJDOGAV-QWRGUYRKSA-N 2 2 281.762 3.415 50 0 CGAALP c1ccc(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000089832404 370047686 /nfs/dbraw/zinc/04/76/86/370047686.db2.gz QTOMFSKBKXVIJQ-HXUWFJFHSA-N 2 2 294.442 3.136 50 0 CGAALP c1ccc(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000089832404 370047692 /nfs/dbraw/zinc/04/76/92/370047692.db2.gz QTOMFSKBKXVIJQ-HXUWFJFHSA-N 2 2 294.442 3.136 50 0 CGAALP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)o1 ZINC000097139250 370230493 /nfs/dbraw/zinc/23/04/93/370230493.db2.gz RIBSVCBJZYMIFE-OAHLLOKOSA-N 2 2 287.407 3.085 50 0 CGAALP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)o1 ZINC000097139250 370230497 /nfs/dbraw/zinc/23/04/97/370230497.db2.gz RIBSVCBJZYMIFE-OAHLLOKOSA-N 2 2 287.407 3.085 50 0 CGAALP c1c[nH+]c(CNc2ccc(CC[NH+]3CCCCC3)cc2)[nH]1 ZINC000095428580 370191023 /nfs/dbraw/zinc/19/10/23/370191023.db2.gz MPZXFJSYUHSFKX-UHFFFAOYSA-N 2 2 284.407 3.050 50 0 CGAALP C[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095419519 277031694 /nfs/dbraw/zinc/03/16/94/277031694.db2.gz WPGSWYMBFGNGSG-INIZCTEOSA-N 2 2 286.419 3.117 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000191963211 346267104 /nfs/dbraw/zinc/26/71/04/346267104.db2.gz FESXXGANYOTDMQ-OAHLLOKOSA-N 2 2 299.418 3.180 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000191963211 346267105 /nfs/dbraw/zinc/26/71/05/346267105.db2.gz FESXXGANYOTDMQ-OAHLLOKOSA-N 2 2 299.418 3.180 50 0 CGAALP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000091339377 180136353 /nfs/dbraw/zinc/13/63/53/180136353.db2.gz COSWEFZIUUNWHI-KRWDZBQOSA-N 2 2 290.451 3.084 50 0 CGAALP C[NH+](C)Cc1ccccc1Cn1cc[nH+]c1-c1ccncc1 ZINC000072463037 369820769 /nfs/dbraw/zinc/82/07/69/369820769.db2.gz RSURCTVRCTVLRJ-UHFFFAOYSA-N 2 2 292.386 3.055 50 0 CGAALP C1=C(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000090798337 370069894 /nfs/dbraw/zinc/06/98/94/370069894.db2.gz ZOSCZYQOFAPSEY-UHFFFAOYSA-N 2 2 285.435 3.136 50 0 CGAALP C[NH+](C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000215866089 376152290 /nfs/dbraw/zinc/15/22/90/376152290.db2.gz FZLIFZGPGADKSR-GFCCVEGCSA-N 2 2 270.804 3.239 50 0 CGAALP C[NH+](C)CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)o1 ZINC000215866089 376152294 /nfs/dbraw/zinc/15/22/94/376152294.db2.gz FZLIFZGPGADKSR-GFCCVEGCSA-N 2 2 270.804 3.239 50 0 CGAALP C[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000222126380 376229603 /nfs/dbraw/zinc/22/96/03/376229603.db2.gz CADOTINMNIQEPF-MAUKXSAKSA-N 2 2 282.387 3.338 50 0 CGAALP C[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000222126380 376229607 /nfs/dbraw/zinc/22/96/07/376229607.db2.gz CADOTINMNIQEPF-MAUKXSAKSA-N 2 2 282.387 3.338 50 0 CGAALP COc1cccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000244811555 376799973 /nfs/dbraw/zinc/79/99/73/376799973.db2.gz SGTFOBQDUYBYDL-SFHVURJKSA-N 2 2 299.418 3.427 50 0 CGAALP COc1cccc([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000244811555 376799977 /nfs/dbraw/zinc/79/99/77/376799977.db2.gz SGTFOBQDUYBYDL-SFHVURJKSA-N 2 2 299.418 3.427 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000277060895 379056190 /nfs/dbraw/zinc/05/61/90/379056190.db2.gz DHLAFZIBDADHFN-CABCVRRESA-N 2 2 264.438 3.052 50 0 CGAALP C(C1CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020906897 391941516 /nfs/dbraw/zinc/94/15/16/391941516.db2.gz QTVQBXQKRJVCNJ-MRXNPFEDSA-N 2 2 250.430 3.127 50 0 CGAALP C(C1CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020906897 391941521 /nfs/dbraw/zinc/94/15/21/391941521.db2.gz QTVQBXQKRJVCNJ-MRXNPFEDSA-N 2 2 250.430 3.127 50 0 CGAALP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228068601 393018831 /nfs/dbraw/zinc/01/88/31/393018831.db2.gz ZJSKXUTVCJROCT-DLBZAZTESA-N 2 2 258.409 3.041 50 0 CGAALP c1ccc(C[NH2+]CC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228068601 393018839 /nfs/dbraw/zinc/01/88/39/393018839.db2.gz ZJSKXUTVCJROCT-DLBZAZTESA-N 2 2 258.409 3.041 50 0 CGAALP CSCC[C@@H]1c2[nH]c[nH+]c2CC[N@H+]1CCC(F)(F)F ZINC000067641800 397639613 /nfs/dbraw/zinc/63/96/13/397639613.db2.gz OXVRVRCPDRMHGG-SNVBAGLBSA-N 2 2 293.358 3.014 50 0 CGAALP CSCC[C@@H]1c2[nH]c[nH+]c2CC[N@@H+]1CCC(F)(F)F ZINC000067641800 397639615 /nfs/dbraw/zinc/63/96/15/397639615.db2.gz OXVRVRCPDRMHGG-SNVBAGLBSA-N 2 2 293.358 3.014 50 0 CGAALP c1csc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000035287272 172104935 /nfs/dbraw/zinc/10/49/35/172104935.db2.gz PCUSKWMTUNKHLY-UHFFFAOYSA-N 2 2 271.389 3.347 50 0 CGAALP Cc1ccsc1CCn1cc[nH+]c1C1CC[NH+](C)CC1 ZINC000072130718 176321724 /nfs/dbraw/zinc/32/17/24/176321724.db2.gz DUELHKYZMSNGGH-UHFFFAOYSA-N 2 2 289.448 3.305 50 0 CGAALP CC1(C)Cc2occc2[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000096476311 527780100 /nfs/dbraw/zinc/78/01/00/527780100.db2.gz NRNBSNRYJDYEHR-CQSZACIVSA-N 2 2 273.380 3.170 50 0 CGAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000180132677 189238610 /nfs/dbraw/zinc/23/86/10/189238610.db2.gz CJEPKQFJIUNRJP-ZDUSSCGKSA-N 2 2 291.345 3.134 50 0 CGAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000180132677 189238611 /nfs/dbraw/zinc/23/86/11/189238611.db2.gz CJEPKQFJIUNRJP-ZDUSSCGKSA-N 2 2 291.345 3.134 50 0 CGAALP CC[NH+]1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000000277354 368330269 /nfs/dbraw/zinc/33/02/69/368330269.db2.gz LZKVZDMOCOQTPE-UHFFFAOYSA-N 2 2 286.341 3.279 50 0 CGAALP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019260245 368746682 /nfs/dbraw/zinc/74/66/82/368746682.db2.gz RDIPAVQWDCEASO-LBPRGKRZSA-N 2 2 260.303 3.047 50 0 CGAALP [NH3+]CC[NH2+][C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022917482 368814249 /nfs/dbraw/zinc/81/42/49/368814249.db2.gz NBOQTNFQBDDHOV-HNNXBMFYSA-N 2 2 294.320 3.343 50 0 CGAALP C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067694513 369725201 /nfs/dbraw/zinc/72/52/01/369725201.db2.gz FQPNLLFYDDGFRY-HNNXBMFYSA-N 2 2 292.386 3.460 50 0 CGAALP C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067694513 369725204 /nfs/dbraw/zinc/72/52/04/369725204.db2.gz FQPNLLFYDDGFRY-HNNXBMFYSA-N 2 2 292.386 3.460 50 0 CGAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095098704 370176373 /nfs/dbraw/zinc/17/63/73/370176373.db2.gz LRLQTKJTSIITSD-KRWDZBQOSA-N 2 2 260.425 3.384 50 0 CGAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095098704 370176378 /nfs/dbraw/zinc/17/63/78/370176378.db2.gz LRLQTKJTSIITSD-KRWDZBQOSA-N 2 2 260.425 3.384 50 0 CGAALP CC1(C)[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000097379774 370241121 /nfs/dbraw/zinc/24/11/21/370241121.db2.gz JSJGQMZJJHCHEM-HOTGVXAUSA-N 2 2 269.392 3.055 50 0 CGAALP Cc1ccccc1OC[C@@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1 ZINC000670462173 543156597 /nfs/dbraw/zinc/15/65/97/543156597.db2.gz IIVSLXTUVQIOQD-MRXNPFEDSA-N 2 2 299.418 3.052 50 0 CGAALP C[N@@H+]1C[C@@H]2CCC[C@H]1C[NH+](Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155115 /nfs/dbraw/zinc/15/51/15/543155115.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 2 295.430 3.151 50 0 CGAALP C[N@H+]1C[C@@H]2CCC[C@H]1C[NH+](Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155116 /nfs/dbraw/zinc/15/51/16/543155116.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 2 295.430 3.151 50 0 CGAALP C[NH+]1C[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155118 /nfs/dbraw/zinc/15/51/18/543155118.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 2 295.430 3.151 50 0 CGAALP C[NH+]1C[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000670452029 543155119 /nfs/dbraw/zinc/15/51/19/543155119.db2.gz OJNLNQLONAUOGW-WMZOPIPTSA-N 2 2 295.430 3.151 50 0 CGAALP Cc1ccccc1OC[C@@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC000670462173 543156598 /nfs/dbraw/zinc/15/65/98/543156598.db2.gz IIVSLXTUVQIOQD-MRXNPFEDSA-N 2 2 299.418 3.052 50 0 CGAALP c1ccc2cc(C[NH2+]CC[NH+]3CCCC3)ccc2c1 ZINC000020126709 171011200 /nfs/dbraw/zinc/01/12/00/171011200.db2.gz PHDGROVWKCTROT-UHFFFAOYSA-N 2 2 254.377 3.025 50 0 CGAALP C[NH+]1CCC([N@@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)CC1 ZINC000072153691 176328270 /nfs/dbraw/zinc/32/82/70/176328270.db2.gz YXELGGXCJOVLRI-QGZVFWFLSA-N 2 2 299.462 3.334 50 0 CGAALP C[NH+]1CCC([N@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)CC1 ZINC000072153691 176328272 /nfs/dbraw/zinc/32/82/72/176328272.db2.gz YXELGGXCJOVLRI-QGZVFWFLSA-N 2 2 299.462 3.334 50 0 CGAALP Cc1cccc(NCc2cccc(Cn3cc[nH+]c3)c2)[nH+]1 ZINC000157025500 230394963 /nfs/dbraw/zinc/39/49/63/230394963.db2.gz VWLGVDQFIIRGKT-UHFFFAOYSA-N 2 2 278.359 3.247 50 0 CGAALP C[NH+]1CCC([NH2+]Cc2ccnc(SC(C)(C)C)c2)CC1 ZINC000097234035 345907528 /nfs/dbraw/zinc/90/75/28/345907528.db2.gz QOFYIGGIMOLLBV-UHFFFAOYSA-N 2 2 293.480 3.156 50 0 CGAALP Cn1cc[nH+]c1CC[NH2+][C@@H](c1ccco1)c1ccc(F)cc1 ZINC000195560627 346274040 /nfs/dbraw/zinc/27/40/40/346274040.db2.gz LSDLENRGRFHGLI-QGZVFWFLSA-N 2 2 299.349 3.074 50 0 CGAALP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182784417 189334588 /nfs/dbraw/zinc/33/45/88/189334588.db2.gz JEQRKGAZQHWRDD-DOTOQJQBSA-N 2 2 269.392 3.151 50 0 CGAALP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182784417 189334589 /nfs/dbraw/zinc/33/45/89/189334589.db2.gz JEQRKGAZQHWRDD-DOTOQJQBSA-N 2 2 269.392 3.151 50 0 CGAALP C[NH+](C)CCCn1cc[nH+]c1-c1ccnc2ccccc21 ZINC000067771692 369727358 /nfs/dbraw/zinc/72/73/58/369727358.db2.gz ICSGCVNFTDNRNZ-UHFFFAOYSA-N 2 2 280.375 3.050 50 0 CGAALP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000089947842 370052070 /nfs/dbraw/zinc/05/20/70/370052070.db2.gz QJWMAGYXPRWMPE-HNNXBMFYSA-N 2 2 279.334 3.292 50 0 CGAALP CC(C)n1cc[nH+]c1C1CCN(c2cccc[nH+]2)CC1 ZINC000095353235 370177921 /nfs/dbraw/zinc/17/79/21/370177921.db2.gz DMZORJNDFHWPTK-UHFFFAOYSA-N 2 2 270.380 3.243 50 0 CGAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1C ZINC000097602161 370248340 /nfs/dbraw/zinc/24/83/40/370248340.db2.gz MHXQYAXOQHVZRB-MRXNPFEDSA-N 2 2 269.392 3.108 50 0 CGAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1C ZINC000097602161 370248347 /nfs/dbraw/zinc/24/83/47/370248347.db2.gz MHXQYAXOQHVZRB-MRXNPFEDSA-N 2 2 269.392 3.108 50 0 CGAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000225786824 376326032 /nfs/dbraw/zinc/32/60/32/376326032.db2.gz YCVKFDDGIOALBL-CYBMUJFWSA-N 2 2 281.469 3.131 50 0 CGAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCSC(C)(C)C)C1 ZINC000225786824 376326041 /nfs/dbraw/zinc/32/60/41/376326041.db2.gz YCVKFDDGIOALBL-CYBMUJFWSA-N 2 2 281.469 3.131 50 0 CGAALP Cc1ccccc1OC[C@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1 ZINC000670462172 543156354 /nfs/dbraw/zinc/15/63/54/543156354.db2.gz IIVSLXTUVQIOQD-INIZCTEOSA-N 2 2 299.418 3.052 50 0 CGAALP Cc1ccccc1OC[C@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC000670462172 543156356 /nfs/dbraw/zinc/15/63/56/543156356.db2.gz IIVSLXTUVQIOQD-INIZCTEOSA-N 2 2 299.418 3.052 50 0 CGAALP c1ccc(SCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000071910663 176297580 /nfs/dbraw/zinc/29/75/80/176297580.db2.gz MOPCILGLRXDBBH-UHFFFAOYSA-N 2 2 290.476 3.339 50 0 CGAALP C[C@H](C[C@@H](C)SC1CCCC1)[NH2+]CCn1cc[nH+]c1 ZINC000888098166 619260018 /nfs/dbraw/zinc/26/00/18/619260018.db2.gz CBSLIQLVFRXLFQ-ZIAGYGMSSA-N 2 2 281.469 3.316 50 0 CGAALP Cc1cccc([C@@H]2CCC[N@H+](CCc3[nH]cc[nH+]3)C2)c1 ZINC001529186795 938071654 /nfs/dbraw/zinc/07/16/54/938071654.db2.gz JZXWULCXGADVTM-MRXNPFEDSA-N 2 2 269.392 3.140 50 0 CGAALP Cc1cccc([C@@H]2CCC[N@@H+](CCc3[nH]cc[nH+]3)C2)c1 ZINC001529186795 938071655 /nfs/dbraw/zinc/07/16/55/938071655.db2.gz JZXWULCXGADVTM-MRXNPFEDSA-N 2 2 269.392 3.140 50 0 CGAALP Cc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1C ZINC000096476309 230379625 /nfs/dbraw/zinc/37/96/25/230379625.db2.gz WXHTWFLCJWQHRH-HNNXBMFYSA-N 2 2 257.381 3.241 50 0 CGAALP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000095967089 185046311 /nfs/dbraw/zinc/04/63/11/185046311.db2.gz TWIQUFXFAIDANK-SJORKVTESA-N 2 2 287.382 3.338 50 0 CGAALP Cc1nc(C[N@H+](C)CCCc2c[nH+]cc(C)c2)cs1 ZINC000170607019 346195121 /nfs/dbraw/zinc/19/51/21/346195121.db2.gz KISXBAVUIJTINI-UHFFFAOYSA-N 2 2 275.421 3.220 50 0 CGAALP Cc1nc(C[N@@H+](C)CCCc2c[nH+]cc(C)c2)cs1 ZINC000170607019 346195123 /nfs/dbraw/zinc/19/51/23/346195123.db2.gz KISXBAVUIJTINI-UHFFFAOYSA-N 2 2 275.421 3.220 50 0 CGAALP C[NH2+][C@@H](CC[NH+]1CCCC1)c1ccccc1Cl ZINC000004253620 368539935 /nfs/dbraw/zinc/53/99/35/368539935.db2.gz KHFGTAUHOXBKHC-AWEZNQCLSA-N 2 2 252.789 3.086 50 0 CGAALP C[NH2+]C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1C ZINC000051860101 369456624 /nfs/dbraw/zinc/45/66/24/369456624.db2.gz LAUKWGHNEQLETA-LJQANCHMSA-N 2 2 280.415 3.141 50 0 CGAALP C[NH2+]C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1C ZINC000051860101 369456629 /nfs/dbraw/zinc/45/66/29/369456629.db2.gz LAUKWGHNEQLETA-LJQANCHMSA-N 2 2 280.415 3.141 50 0 CGAALP C[NH+](C)Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000065385493 369671567 /nfs/dbraw/zinc/67/15/67/369671567.db2.gz BAPSQPFFIJZIKY-QGZVFWFLSA-N 2 2 298.434 3.199 50 0 CGAALP C[NH+](C)Cc1ccc([C@H]2CCCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000065385493 369671572 /nfs/dbraw/zinc/67/15/72/369671572.db2.gz BAPSQPFFIJZIKY-QGZVFWFLSA-N 2 2 298.434 3.199 50 0 CGAALP Cn1c2ccc(NCc3[nH]cc[nH+]3)cc2[nH+]c1C(C)(C)C ZINC000089806983 370047489 /nfs/dbraw/zinc/04/74/89/370047489.db2.gz ZCNZKUOVTGRDIN-UHFFFAOYSA-N 2 2 283.379 3.206 50 0 CGAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095509714 370201897 /nfs/dbraw/zinc/20/18/97/370201897.db2.gz ILQUUGSFAIVOEW-OAHLLOKOSA-N 2 2 284.407 3.462 50 0 CGAALP c1cn(Cc2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2)c[nH+]1 ZINC000096161104 370205625 /nfs/dbraw/zinc/20/56/25/370205625.db2.gz ARBXUFQDJQHQBW-UHFFFAOYSA-N 2 2 275.355 3.202 50 0 CGAALP Cc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000353382642 220054942 /nfs/dbraw/zinc/05/49/42/220054942.db2.gz IIRRBBMZOGRMCA-AWEZNQCLSA-N 2 2 296.374 3.079 50 0 CGAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000215618549 376149556 /nfs/dbraw/zinc/14/95/56/376149556.db2.gz OZKZHFAHRJMAFS-UHFFFAOYSA-N 2 2 281.762 3.116 50 0 CGAALP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C[NH+](C)C3)s1 ZINC000216337101 376162795 /nfs/dbraw/zinc/16/27/95/376162795.db2.gz OUBIMNRNAKMCKY-LSDHHAIUSA-N 2 2 292.492 3.473 50 0 CGAALP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C[NH+](C)C3)s1 ZINC000216337101 376162803 /nfs/dbraw/zinc/16/28/03/376162803.db2.gz OUBIMNRNAKMCKY-LSDHHAIUSA-N 2 2 292.492 3.473 50 0 CGAALP CC(C)Cc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C[N@H+](C)C3)s1 ZINC000216337101 376162812 /nfs/dbraw/zinc/16/28/12/376162812.db2.gz OUBIMNRNAKMCKY-LSDHHAIUSA-N 2 2 292.492 3.473 50 0 CGAALP CC(C)Cc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)s1 ZINC000216337101 376162815 /nfs/dbraw/zinc/16/28/15/376162815.db2.gz OUBIMNRNAKMCKY-LSDHHAIUSA-N 2 2 292.492 3.473 50 0 CGAALP Fc1ccc([C@@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022028430 397605376 /nfs/dbraw/zinc/60/53/76/397605376.db2.gz JVPHNNVCUIJBGO-GOSISDBHSA-N 2 2 284.378 3.210 50 0 CGAALP Fc1ccc([C@@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022028430 397605379 /nfs/dbraw/zinc/60/53/79/397605379.db2.gz JVPHNNVCUIJBGO-GOSISDBHSA-N 2 2 284.378 3.210 50 0 CGAALP CC(C)(C)[NH2+]CC(=O)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000003878322 169919059 /nfs/dbraw/zinc/91/90/59/169919059.db2.gz ABUVAJPAUNKDEW-UHFFFAOYSA-N 2 2 297.402 3.050 50 0 CGAALP CCOc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039279940 260172053 /nfs/dbraw/zinc/17/20/53/260172053.db2.gz HIQNVZMOZXAWEP-UHFFFAOYSA-N 2 2 293.798 3.115 50 0 CGAALP Cc1[nH]c(C[NH2+]Cc2cccnc2Oc2ccccc2)c[nH+]1 ZINC000012313861 526889054 /nfs/dbraw/zinc/88/90/54/526889054.db2.gz ZDIQNSRLKXJCLT-UHFFFAOYSA-N 2 2 294.358 3.195 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)OCC1(C)C ZINC000192145635 620382952 /nfs/dbraw/zinc/38/29/52/620382952.db2.gz VOGNVCAOLIYDRC-OAHLLOKOSA-N 2 2 299.418 3.180 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)OCC1(C)C ZINC000192145635 620382954 /nfs/dbraw/zinc/38/29/54/620382954.db2.gz VOGNVCAOLIYDRC-OAHLLOKOSA-N 2 2 299.418 3.180 50 0 CGAALP Cc1ccc(NCCCNc2nc(C)[nH+]c(C)c2C)[nH+]c1 ZINC000091636154 180211595 /nfs/dbraw/zinc/21/15/95/180211595.db2.gz HZVLYFUOQSROIX-UHFFFAOYSA-N 2 2 285.395 3.019 50 0 CGAALP C[NH+]1CCN(c2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)CC1 ZINC000004003183 368525675 /nfs/dbraw/zinc/52/56/75/368525675.db2.gz GWGIWFDMPLCQLW-UHFFFAOYSA-N 2 2 298.434 3.362 50 0 CGAALP c1cn(CC2CC2)c([C@@H]2CCC[N@H+](CC3CCC3)C2)[nH+]1 ZINC000082156322 370000119 /nfs/dbraw/zinc/00/01/19/370000119.db2.gz WBHFXVBNYAUALS-MRXNPFEDSA-N 2 2 273.424 3.273 50 0 CGAALP c1cn(CC2CC2)c([C@@H]2CCC[N@@H+](CC3CCC3)C2)[nH+]1 ZINC000082156322 370000121 /nfs/dbraw/zinc/00/01/21/370000121.db2.gz WBHFXVBNYAUALS-MRXNPFEDSA-N 2 2 273.424 3.273 50 0 CGAALP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH3+])C3)cc2)o1 ZINC000214964939 376144519 /nfs/dbraw/zinc/14/45/19/376144519.db2.gz SVNZAYULCDPDLR-MRXNPFEDSA-N 2 2 270.376 3.178 50 0 CGAALP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([NH3+])C3)cc2)o1 ZINC000214964939 376144522 /nfs/dbraw/zinc/14/45/22/376144522.db2.gz SVNZAYULCDPDLR-MRXNPFEDSA-N 2 2 270.376 3.178 50 0 CGAALP CCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249204491 377478718 /nfs/dbraw/zinc/47/87/18/377478718.db2.gz BAXJMRPVHJTNQD-WBVHZDCISA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249204491 377478729 /nfs/dbraw/zinc/47/87/29/377478729.db2.gz BAXJMRPVHJTNQD-WBVHZDCISA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249204491 377478738 /nfs/dbraw/zinc/47/87/38/377478738.db2.gz BAXJMRPVHJTNQD-WBVHZDCISA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249204491 377478747 /nfs/dbraw/zinc/47/87/47/377478747.db2.gz BAXJMRPVHJTNQD-WBVHZDCISA-N 2 2 275.440 3.024 50 0 CGAALP C[NH+](C)[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000195553904 289329294 /nfs/dbraw/zinc/32/92/94/289329294.db2.gz XYLYTZVLICOVEU-SCTDSRPQSA-N 2 2 295.430 3.243 50 0 CGAALP Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]c2ccccc12 ZINC000315102077 932030040 /nfs/dbraw/zinc/03/00/40/932030040.db2.gz MLSUZTBZYOVRHH-CQSZACIVSA-N 2 2 281.403 3.439 50 0 CGAALP Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]c2ccccc12 ZINC000315102077 932030049 /nfs/dbraw/zinc/03/00/49/932030049.db2.gz MLSUZTBZYOVRHH-CQSZACIVSA-N 2 2 281.403 3.439 50 0 CGAALP C[NH+](C)CCC[N@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000222753235 230398648 /nfs/dbraw/zinc/39/86/48/230398648.db2.gz DAXDWWXNMRUFOU-UHFFFAOYSA-N 2 2 291.826 3.272 50 0 CGAALP C[NH+](C)CCC[N@@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000222753235 230398649 /nfs/dbraw/zinc/39/86/49/230398649.db2.gz DAXDWWXNMRUFOU-UHFFFAOYSA-N 2 2 291.826 3.272 50 0 CGAALP C[C@@H](Nc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000095990586 185057329 /nfs/dbraw/zinc/05/73/29/185057329.db2.gz BZMCCFDVGOZYIO-CQSZACIVSA-N 2 2 284.407 3.015 50 0 CGAALP c1cn(CC2CC2)c([C@@H]2CCCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000082157058 370000240 /nfs/dbraw/zinc/00/02/40/370000240.db2.gz FTHLSSLMYPTIPI-OAHLLOKOSA-N 2 2 282.391 3.072 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000091315051 541967084 /nfs/dbraw/zinc/96/70/84/541967084.db2.gz JPGICUGNYWXNDE-FUHWJXTLSA-N 2 2 281.403 3.247 50 0 CGAALP Cc1cc(NCCCn2cc[nH+]c2)[nH+]c2ccccc12 ZINC000005695804 170129814 /nfs/dbraw/zinc/12/98/14/170129814.db2.gz YAVOZQXPXVITTI-UHFFFAOYSA-N 2 2 266.348 3.242 50 0 CGAALP C[C@H](C[NH2+]Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000237554779 333380274 /nfs/dbraw/zinc/38/02/74/333380274.db2.gz NHQAKGZSQPQMHV-MRXNPFEDSA-N 2 2 280.415 3.223 50 0 CGAALP C[C@H](C[NH2+]Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000237554779 333380275 /nfs/dbraw/zinc/38/02/75/333380275.db2.gz NHQAKGZSQPQMHV-MRXNPFEDSA-N 2 2 280.415 3.223 50 0 CGAALP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000097016607 230386171 /nfs/dbraw/zinc/38/61/71/230386171.db2.gz FCKIECIGOVEIHG-ZDUSSCGKSA-N 2 2 296.374 3.328 50 0 CGAALP c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cs1 ZINC000584902081 346723421 /nfs/dbraw/zinc/72/34/21/346723421.db2.gz RENCHAANVAVTOX-UHFFFAOYSA-N 2 2 274.389 3.187 50 0 CGAALP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccsc2S1 ZINC000089497025 291082656 /nfs/dbraw/zinc/08/26/56/291082656.db2.gz BZCUSSZUFLTGGY-GXFFZTMASA-N 2 2 282.478 3.357 50 0 CGAALP CCOc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1 ZINC000016156483 368709031 /nfs/dbraw/zinc/70/90/31/368709031.db2.gz GKRYJXOXIHYWPI-UHFFFAOYSA-N 2 2 265.316 3.283 50 0 CGAALP C[N@H+](Cc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000036301384 369015268 /nfs/dbraw/zinc/01/52/68/369015268.db2.gz CPVYWHPGHIOOSU-UHFFFAOYSA-N 2 2 273.207 3.177 50 0 CGAALP C[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000036301384 369015275 /nfs/dbraw/zinc/01/52/75/369015275.db2.gz CPVYWHPGHIOOSU-UHFFFAOYSA-N 2 2 273.207 3.177 50 0 CGAALP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000097229948 370235112 /nfs/dbraw/zinc/23/51/12/370235112.db2.gz JGJFVNHVMBJDEL-YJBOKZPZSA-N 2 2 299.418 3.044 50 0 CGAALP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000097229948 370235119 /nfs/dbraw/zinc/23/51/19/370235119.db2.gz JGJFVNHVMBJDEL-YJBOKZPZSA-N 2 2 299.418 3.044 50 0 CGAALP C[C@H](Cc1ccccc1)[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000019369251 541854408 /nfs/dbraw/zinc/85/44/08/541854408.db2.gz ITDDGZIPHVSQPV-HDICACEKSA-N 2 2 296.458 3.428 50 0 CGAALP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000583651232 378338741 /nfs/dbraw/zinc/33/87/41/378338741.db2.gz JFBZDNNDPASLQZ-JLTOFOAXSA-N 2 2 298.367 3.245 50 0 CGAALP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000092648801 165308785 /nfs/dbraw/zinc/30/87/85/165308785.db2.gz UYMXWMPEJZKFSR-UHFFFAOYSA-N 2 2 269.392 3.337 50 0 CGAALP C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000004712162 170003709 /nfs/dbraw/zinc/00/37/09/170003709.db2.gz WSHXXAJVMARHCF-IYBDPMFKSA-N 2 2 287.451 3.024 50 0 CGAALP C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000004712162 170003712 /nfs/dbraw/zinc/00/37/12/170003712.db2.gz WSHXXAJVMARHCF-IYBDPMFKSA-N 2 2 287.451 3.024 50 0 CGAALP c1ccc2c(c1)cccc2C[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000019945981 170936735 /nfs/dbraw/zinc/93/67/35/170936735.db2.gz DIIHGPYNGXGAAV-GOSISDBHSA-N 2 2 266.388 3.024 50 0 CGAALP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020305534 171142365 /nfs/dbraw/zinc/14/23/65/171142365.db2.gz NZIRKSXWIPMIEW-IBGZPJMESA-N 2 2 280.415 3.359 50 0 CGAALP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020305534 171142366 /nfs/dbraw/zinc/14/23/66/171142366.db2.gz NZIRKSXWIPMIEW-IBGZPJMESA-N 2 2 280.415 3.359 50 0 CGAALP CC(C)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000035268958 172092305 /nfs/dbraw/zinc/09/23/05/172092305.db2.gz SIQJQBIECZRYPS-UHFFFAOYSA-N 2 2 257.381 3.186 50 0 CGAALP c1nc2ccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2[nH]1 ZINC000531380938 270206093 /nfs/dbraw/zinc/20/60/93/270206093.db2.gz APTONTBASKZZCL-UHFFFAOYSA-N 2 2 298.434 3.060 50 0 CGAALP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000096476726 529601170 /nfs/dbraw/zinc/60/11/70/529601170.db2.gz XBGXRIIWGAEPDY-ZDUSSCGKSA-N 2 2 257.381 3.274 50 0 CGAALP CC[NH+]1CCC([NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000037976756 369130265 /nfs/dbraw/zinc/13/02/65/369130265.db2.gz SYYIXPCXQZJPTM-UHFFFAOYSA-N 2 2 276.424 3.048 50 0 CGAALP Cc1noc(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000041626175 369193632 /nfs/dbraw/zinc/19/36/32/369193632.db2.gz GVILZTPKWQFKPA-UHFFFAOYSA-N 2 2 299.418 3.046 50 0 CGAALP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccn1)CCC2 ZINC000089725146 370045953 /nfs/dbraw/zinc/04/59/53/370045953.db2.gz UJLRHHAAAZYBIS-CQSZACIVSA-N 2 2 298.434 3.243 50 0 CGAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095098703 370176216 /nfs/dbraw/zinc/17/62/16/370176216.db2.gz LRLQTKJTSIITSD-QGZVFWFLSA-N 2 2 260.425 3.384 50 0 CGAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095098703 370176217 /nfs/dbraw/zinc/17/62/17/370176217.db2.gz LRLQTKJTSIITSD-QGZVFWFLSA-N 2 2 260.425 3.384 50 0 CGAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2ccccc2c1 ZINC000035275121 172095957 /nfs/dbraw/zinc/09/59/57/172095957.db2.gz OBXFZCDVCJRQHG-AWEZNQCLSA-N 2 2 265.360 3.215 50 0 CGAALP c1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000037325809 173126167 /nfs/dbraw/zinc/12/61/67/173126167.db2.gz LJLURTMAKDPIBA-IBGZPJMESA-N 2 2 280.415 3.441 50 0 CGAALP c1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000037325809 173126168 /nfs/dbraw/zinc/12/61/68/173126168.db2.gz LJLURTMAKDPIBA-IBGZPJMESA-N 2 2 280.415 3.441 50 0 CGAALP CCc1ccc(-c2[nH+]ccn2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000071748757 176259770 /nfs/dbraw/zinc/25/97/70/176259770.db2.gz XPDKCFWOSPUNBD-INIZCTEOSA-N 2 2 283.419 3.454 50 0 CGAALP CCc1ccc(-c2[nH+]ccn2C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000071748757 176259771 /nfs/dbraw/zinc/25/97/71/176259771.db2.gz XPDKCFWOSPUNBD-INIZCTEOSA-N 2 2 283.419 3.454 50 0 CGAALP Cc1cc(C[N@@H+](C)CC[C@@H](C)[NH+]2CCCC2)oc1C ZINC000952869226 800684801 /nfs/dbraw/zinc/68/48/01/800684801.db2.gz MRLHTNXRFFEZBI-CQSZACIVSA-N 2 2 264.413 3.203 50 0 CGAALP Cc1cc(C[N@H+](C)CC[C@@H](C)[NH+]2CCCC2)oc1C ZINC000952869226 800684803 /nfs/dbraw/zinc/68/48/03/800684803.db2.gz MRLHTNXRFFEZBI-CQSZACIVSA-N 2 2 264.413 3.203 50 0 CGAALP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000095967091 185046625 /nfs/dbraw/zinc/04/66/25/185046625.db2.gz TWIQUFXFAIDANK-IAGOWNOFSA-N 2 2 287.382 3.338 50 0 CGAALP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000409421179 346605390 /nfs/dbraw/zinc/60/53/90/346605390.db2.gz WNQKWERUJSHIIT-KRWDZBQOSA-N 2 2 296.418 3.301 50 0 CGAALP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000409421179 346605392 /nfs/dbraw/zinc/60/53/92/346605392.db2.gz WNQKWERUJSHIIT-KRWDZBQOSA-N 2 2 296.418 3.301 50 0 CGAALP COc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000022933029 368813987 /nfs/dbraw/zinc/81/39/87/368813987.db2.gz DTQNEFOKTXXQKV-IEBWSBKVSA-N 2 2 296.414 3.278 50 0 in-vitro CGAALP CCc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000067725716 369727253 /nfs/dbraw/zinc/72/72/53/369727253.db2.gz MCOPEXKOCINFOD-UHFFFAOYSA-N 2 2 296.374 3.055 50 0 CGAALP CCc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000067725716 369727256 /nfs/dbraw/zinc/72/72/56/369727256.db2.gz MCOPEXKOCINFOD-UHFFFAOYSA-N 2 2 296.374 3.055 50 0 CGAALP Cc1ccc[nH+]c1NCCn1cc[nH+]c1-c1ccsc1 ZINC000067935184 369736220 /nfs/dbraw/zinc/73/62/20/369736220.db2.gz OURURTGCIDIIKK-UHFFFAOYSA-N 2 2 284.388 3.427 50 0 CGAALP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000089346534 370041103 /nfs/dbraw/zinc/04/11/03/370041103.db2.gz OUHJQDPRAVEZLC-UHFFFAOYSA-N 2 2 283.297 3.034 50 0 CGAALP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000089346534 370041108 /nfs/dbraw/zinc/04/11/08/370041108.db2.gz OUHJQDPRAVEZLC-UHFFFAOYSA-N 2 2 283.297 3.034 50 0 CGAALP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000095411869 370185500 /nfs/dbraw/zinc/18/55/00/370185500.db2.gz AOHHSMFAGBANNO-FXAWDEMLSA-N 2 2 294.442 3.482 50 0 CGAALP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000095411869 370185503 /nfs/dbraw/zinc/18/55/03/370185503.db2.gz AOHHSMFAGBANNO-FXAWDEMLSA-N 2 2 294.442 3.482 50 0 CGAALP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000097229946 370235758 /nfs/dbraw/zinc/23/57/58/370235758.db2.gz JGJFVNHVMBJDEL-MAUKXSAKSA-N 2 2 299.418 3.044 50 0 CGAALP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000097229946 370235764 /nfs/dbraw/zinc/23/57/64/370235764.db2.gz JGJFVNHVMBJDEL-MAUKXSAKSA-N 2 2 299.418 3.044 50 0 CGAALP CCCn1c(C)c[nH+]c1C1C[NH+](Cc2cccc(F)c2)C1 ZINC000575555167 377917384 /nfs/dbraw/zinc/91/73/84/377917384.db2.gz XEBXUNVUKNFYKD-UHFFFAOYSA-N 2 2 287.382 3.340 50 0 CGAALP C[C@H]([NH2+]CCC1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000585117337 378397505 /nfs/dbraw/zinc/39/75/05/378397505.db2.gz YSCUSPLUPRNRDZ-MAUKXSAKSA-N 2 2 290.451 3.084 50 0 CGAALP C[C@@H]([NH2+]C1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478777 533342575 /nfs/dbraw/zinc/34/25/75/533342575.db2.gz ISOAJGVMCMURJY-CYBMUJFWSA-N 2 2 287.432 3.419 50 0 CGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000071857568 392191697 /nfs/dbraw/zinc/19/16/97/392191697.db2.gz LREUFWQPTRHVSA-QAPCUYQASA-N 2 2 281.403 3.007 50 0 CGAALP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000096489349 392255930 /nfs/dbraw/zinc/25/59/30/392255930.db2.gz SHAIJNLQZZLJEH-UKRRQHHQSA-N 2 2 255.365 3.030 50 0 CGAALP CCCc1cc(N[C@@H]2CCC[N@@H+](CCC)C2)nc(C)[nH+]1 ZINC001506425956 937990188 /nfs/dbraw/zinc/99/01/88/937990188.db2.gz STYFCZMDTGKDAB-OAHLLOKOSA-N 2 2 276.428 3.024 50 0 CGAALP CCCc1cc(N[C@@H]2CCC[N@H+](CCC)C2)nc(C)[nH+]1 ZINC001506425956 937990189 /nfs/dbraw/zinc/99/01/89/937990189.db2.gz STYFCZMDTGKDAB-OAHLLOKOSA-N 2 2 276.428 3.024 50 0 CGAALP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000096489351 230382148 /nfs/dbraw/zinc/38/21/48/230382148.db2.gz SHAIJNLQZZLJEH-DZGCQCFKSA-N 2 2 255.365 3.030 50 0 CGAALP Clc1cccc(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000034778557 368978341 /nfs/dbraw/zinc/97/83/41/368978341.db2.gz DFFBDKPLZXZHQZ-UHFFFAOYSA-N 2 2 284.190 3.370 50 0 CGAALP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000037140815 369066789 /nfs/dbraw/zinc/06/67/89/369066789.db2.gz WSIYSVCGLVBEAI-SNVBAGLBSA-N 2 2 279.453 3.037 50 0 CGAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000090004134 370054117 /nfs/dbraw/zinc/05/41/17/370054117.db2.gz PWWYTHCXXKBHQX-HNNXBMFYSA-N 2 2 287.382 3.014 50 0 CGAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000090004134 370054120 /nfs/dbraw/zinc/05/41/20/370054120.db2.gz PWWYTHCXXKBHQX-HNNXBMFYSA-N 2 2 287.382 3.014 50 0 CGAALP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000089904843 370051032 /nfs/dbraw/zinc/05/10/32/370051032.db2.gz TYBUYTBFPPZYOY-CQSZACIVSA-N 2 2 295.386 3.236 50 0 CGAALP CCC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850481 375794502 /nfs/dbraw/zinc/79/45/02/375794502.db2.gz RTGXLNOPCGDEMK-DZGCQCFKSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850481 375794508 /nfs/dbraw/zinc/79/45/08/375794508.db2.gz RTGXLNOPCGDEMK-DZGCQCFKSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000192850481 375794513 /nfs/dbraw/zinc/79/45/13/375794513.db2.gz RTGXLNOPCGDEMK-DZGCQCFKSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000192850481 375794521 /nfs/dbraw/zinc/79/45/21/375794521.db2.gz RTGXLNOPCGDEMK-DZGCQCFKSA-N 2 2 295.496 3.394 50 0 CGAALP Cc1[nH]c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c[nH+]1 ZINC000215136852 376145951 /nfs/dbraw/zinc/14/59/51/376145951.db2.gz BTEIRODIUARPEE-ZDUSSCGKSA-N 2 2 275.783 3.361 50 0 CGAALP Cc1[nH]c(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c[nH+]1 ZINC000215136852 376145958 /nfs/dbraw/zinc/14/59/58/376145958.db2.gz BTEIRODIUARPEE-ZDUSSCGKSA-N 2 2 275.783 3.361 50 0 CGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000229315928 376463155 /nfs/dbraw/zinc/46/31/55/376463155.db2.gz CYMFWTIYFNNGRB-CRAIPNDOSA-N 2 2 281.403 3.007 50 0 CGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000229315928 376463164 /nfs/dbraw/zinc/46/31/64/376463164.db2.gz CYMFWTIYFNNGRB-CRAIPNDOSA-N 2 2 281.403 3.007 50 0 CGAALP CCc1[nH+]ccn1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000244795512 376797141 /nfs/dbraw/zinc/79/71/41/376797141.db2.gz RHSOWARHOBSOBT-UHFFFAOYSA-N 2 2 283.419 3.325 50 0 CGAALP C[NH+](C)[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000253370913 377687266 /nfs/dbraw/zinc/68/72/66/377687266.db2.gz XYLYTZVLICOVEU-YQVWRLOYSA-N 2 2 295.430 3.243 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CC(c3ccc(F)cc3)C1)C2 ZINC000097084824 392261037 /nfs/dbraw/zinc/26/10/37/392261037.db2.gz PHTQKUHGOCPZNW-ARWYELJZSA-N 2 2 299.393 3.181 50 0 CGAALP Cc1[nH+]ccn1CC[C@@H](C)[NH+]1CC(Oc2cccc(C)c2)C1 ZINC000670471855 543156856 /nfs/dbraw/zinc/15/68/56/543156856.db2.gz SMHHDMOJFDTKKP-OAHLLOKOSA-N 2 2 299.418 3.042 50 0 CGAALP COc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000035287218 172105377 /nfs/dbraw/zinc/10/53/77/172105377.db2.gz FBTPXWJFOGHRRQ-UHFFFAOYSA-N 2 2 295.386 3.294 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534655974 328339941 /nfs/dbraw/zinc/33/99/41/328339941.db2.gz IYKOCAVMAPKRSC-CYBMUJFWSA-N 2 2 289.810 3.246 50 0 CGAALP Cc1c[nH+]c(C2C[NH+](Cc3ccccc3)C2)n1CC1CC1 ZINC000581812945 799675072 /nfs/dbraw/zinc/67/50/72/799675072.db2.gz YBXKEIDEYQIZFP-UHFFFAOYSA-N 2 2 281.403 3.201 50 0 CGAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1Cl ZINC001506409918 937989976 /nfs/dbraw/zinc/98/99/76/937989976.db2.gz AUOAUOGHJHIAET-CYBMUJFWSA-N 2 2 281.762 3.244 50 0 CGAALP c1csc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000095987163 185056613 /nfs/dbraw/zinc/05/66/13/185056613.db2.gz PWEXFJIRCZXTJQ-CYBMUJFWSA-N 2 2 261.394 3.172 50 0 CGAALP c1csc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000095987163 185056615 /nfs/dbraw/zinc/05/66/15/185056615.db2.gz PWEXFJIRCZXTJQ-CYBMUJFWSA-N 2 2 261.394 3.172 50 0 CGAALP C[N@H+](C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1C=CCCC1 ZINC000096455911 529822300 /nfs/dbraw/zinc/82/23/00/529822300.db2.gz FZQXFSXIWOBPNL-GOSISDBHSA-N 2 2 299.462 3.129 50 0 CGAALP C[N@@H+](C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1C=CCCC1 ZINC000096455911 529822301 /nfs/dbraw/zinc/82/23/01/529822301.db2.gz FZQXFSXIWOBPNL-GOSISDBHSA-N 2 2 299.462 3.129 50 0 CGAALP Clc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)o1 ZINC000584902535 346723896 /nfs/dbraw/zinc/72/38/96/346723896.db2.gz GSJBSMQMYMGRPC-UHFFFAOYSA-N 2 2 292.766 3.371 50 0 CGAALP C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000002734479 368473969 /nfs/dbraw/zinc/47/39/69/368473969.db2.gz YOKWTXMBGXEVRX-HOTGVXAUSA-N 2 2 287.451 3.024 50 0 CGAALP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000067587648 369720996 /nfs/dbraw/zinc/72/09/96/369720996.db2.gz YNNAVNZGGUBLPN-UHFFFAOYSA-N 2 2 281.359 3.406 50 0 CGAALP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000067587648 369721000 /nfs/dbraw/zinc/72/10/00/369721000.db2.gz YNNAVNZGGUBLPN-UHFFFAOYSA-N 2 2 281.359 3.406 50 0 CGAALP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000067668282 369723900 /nfs/dbraw/zinc/72/39/00/369723900.db2.gz WWPUNSOFTJRDMA-OAHLLOKOSA-N 2 2 298.434 3.074 50 0 CGAALP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000067668282 369723902 /nfs/dbraw/zinc/72/39/02/369723902.db2.gz WWPUNSOFTJRDMA-OAHLLOKOSA-N 2 2 298.434 3.074 50 0 CGAALP Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000067713220 369726385 /nfs/dbraw/zinc/72/63/85/369726385.db2.gz JRAZCKDAVZJEQI-HNNXBMFYSA-N 2 2 299.418 3.129 50 0 CGAALP Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000067713220 369726389 /nfs/dbraw/zinc/72/63/89/369726389.db2.gz JRAZCKDAVZJEQI-HNNXBMFYSA-N 2 2 299.418 3.129 50 0 CGAALP c1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000071762153 369808114 /nfs/dbraw/zinc/80/81/14/369808114.db2.gz YRMPVXBMWDSYQN-KRWDZBQOSA-N 2 2 281.403 3.250 50 0 CGAALP c1cn(CC[N@H+]2CC[C@H](c3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000071762153 369808117 /nfs/dbraw/zinc/80/81/17/369808117.db2.gz YRMPVXBMWDSYQN-KRWDZBQOSA-N 2 2 281.403 3.250 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]12 ZINC000071771841 369810037 /nfs/dbraw/zinc/81/00/37/369810037.db2.gz XFHQYXRJUICKLQ-SJORKVTESA-N 2 2 286.419 3.034 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]12 ZINC000071771841 369810041 /nfs/dbraw/zinc/81/00/41/369810041.db2.gz XFHQYXRJUICKLQ-SJORKVTESA-N 2 2 286.419 3.034 50 0 CGAALP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000093644946 370153613 /nfs/dbraw/zinc/15/36/13/370153613.db2.gz NDYDITFXUMLQSD-CMPLNLGQSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@H+]1C ZINC000093644946 370153618 /nfs/dbraw/zinc/15/36/18/370153618.db2.gz NDYDITFXUMLQSD-CMPLNLGQSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644946 370153622 /nfs/dbraw/zinc/15/36/22/370153622.db2.gz NDYDITFXUMLQSD-CMPLNLGQSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644946 370153627 /nfs/dbraw/zinc/15/36/27/370153627.db2.gz NDYDITFXUMLQSD-CMPLNLGQSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131927034 371140709 /nfs/dbraw/zinc/14/07/09/371140709.db2.gz CADOTINMNIQEPF-QAPCUYQASA-N 2 2 282.387 3.338 50 0 CGAALP C[C@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131927034 371140712 /nfs/dbraw/zinc/14/07/12/371140712.db2.gz CADOTINMNIQEPF-QAPCUYQASA-N 2 2 282.387 3.338 50 0 CGAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000216172851 376158801 /nfs/dbraw/zinc/15/88/01/376158801.db2.gz UDORHJWYRLIIMY-UHFFFAOYSA-N 2 2 293.798 3.350 50 0 CGAALP Cc1csc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000408513750 380013628 /nfs/dbraw/zinc/01/36/28/380013628.db2.gz BSEUSAVEWCGACS-UHFFFAOYSA-N 2 2 289.448 3.145 50 0 CGAALP Cc1csc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000408513750 380013633 /nfs/dbraw/zinc/01/36/33/380013633.db2.gz BSEUSAVEWCGACS-UHFFFAOYSA-N 2 2 289.448 3.145 50 0 CGAALP C(=C\c1ccccc1)\C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000096179345 256774974 /nfs/dbraw/zinc/77/49/74/256774974.db2.gz CGCSKQDXZWMWNG-TWGQIWQCSA-N 2 2 270.420 3.260 50 0 CGAALP Fc1ccc([C@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022099115 391944378 /nfs/dbraw/zinc/94/43/78/391944378.db2.gz JVPHNNVCUIJBGO-SFHVURJKSA-N 2 2 284.378 3.210 50 0 CGAALP Fc1ccc([C@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022099115 391944383 /nfs/dbraw/zinc/94/43/83/391944383.db2.gz JVPHNNVCUIJBGO-SFHVURJKSA-N 2 2 284.378 3.210 50 0 CGAALP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCCn1cc[nH+]c1)CC3 ZINC000361986930 392382410 /nfs/dbraw/zinc/38/24/10/392382410.db2.gz QKSZQWAKRUTLLG-UHFFFAOYSA-N 2 2 294.402 3.121 50 0 CGAALP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCn1cc[nH+]c1)CC3 ZINC000361986930 392382414 /nfs/dbraw/zinc/38/24/14/392382414.db2.gz QKSZQWAKRUTLLG-UHFFFAOYSA-N 2 2 294.402 3.121 50 0 CGAALP c1[nH+]c2n(c1C[NH2+][C@H]1CCCOc3ccccc31)CCCC2 ZINC000367439758 285582074 /nfs/dbraw/zinc/58/20/74/285582074.db2.gz WURCYIZFGYQQAI-INIZCTEOSA-N 2 2 297.402 3.223 50 0 CGAALP CSCC[C@H]1c2[nH]c[nH+]c2CC[N@H+]1CCC(F)(F)F ZINC000067641803 397639173 /nfs/dbraw/zinc/63/91/73/397639173.db2.gz OXVRVRCPDRMHGG-JTQLQIEISA-N 2 2 293.358 3.014 50 0 CGAALP CSCC[C@H]1c2[nH]c[nH+]c2CC[N@@H+]1CCC(F)(F)F ZINC000067641803 397639175 /nfs/dbraw/zinc/63/91/75/397639175.db2.gz OXVRVRCPDRMHGG-JTQLQIEISA-N 2 2 293.358 3.014 50 0 CGAALP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000004712165 170003561 /nfs/dbraw/zinc/00/35/61/170003561.db2.gz WSHXXAJVMARHCF-HZPDHXFCSA-N 2 2 287.451 3.024 50 0 CGAALP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000072137169 176322748 /nfs/dbraw/zinc/32/27/48/176322748.db2.gz GYPTUUZJFMUKKX-AWEZNQCLSA-N 2 2 264.413 3.148 50 0 CGAALP CCCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000072137169 176322749 /nfs/dbraw/zinc/32/27/49/176322749.db2.gz GYPTUUZJFMUKKX-AWEZNQCLSA-N 2 2 264.413 3.148 50 0 CGAALP Cc1cc(C(F)(F)F)cc(CCCn2cc[nH+]c2)[nH+]1 ZINC000092064905 180316920 /nfs/dbraw/zinc/31/69/20/180316920.db2.gz AZCSTKYLWJJXSD-UHFFFAOYSA-N 2 2 269.270 3.238 50 0 CGAALP CC[NH+](CC)CCC[NH2+]Cc1c(F)cccc1Cl ZINC000002933155 368486033 /nfs/dbraw/zinc/48/60/33/368486033.db2.gz LTWLAQUMCMYFHO-UHFFFAOYSA-N 2 2 272.795 3.301 50 0 CGAALP CCC[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000003683613 368517320 /nfs/dbraw/zinc/51/73/20/368517320.db2.gz INSZHYODJCAHJL-UHFFFAOYSA-N 2 2 266.816 3.304 50 0 CGAALP Cc1[nH+]cc(CNc2ccc(-c3ccccc3)c[nH+]2)n1C ZINC000032593281 368937088 /nfs/dbraw/zinc/93/70/88/368937088.db2.gz KTBZCXWCQXFMJS-UHFFFAOYSA-N 2 2 278.359 3.403 50 0 CGAALP c1cn(CCCCOc2ccccc2C[NH+]2CC=CC2)c[nH+]1 ZINC000101139172 370287091 /nfs/dbraw/zinc/28/70/91/370287091.db2.gz PGIWAPXDYFKSOT-UHFFFAOYSA-N 2 2 297.402 3.114 50 0 CGAALP C[C@@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131926832 371140228 /nfs/dbraw/zinc/14/02/28/371140228.db2.gz CADOTINMNIQEPF-YJBOKZPZSA-N 2 2 282.387 3.338 50 0 CGAALP C[C@@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131926832 371140232 /nfs/dbraw/zinc/14/02/32/371140232.db2.gz CADOTINMNIQEPF-YJBOKZPZSA-N 2 2 282.387 3.338 50 0 CGAALP Cc1[nH]c(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c[nH+]1 ZINC000215136898 376146043 /nfs/dbraw/zinc/14/60/43/376146043.db2.gz BTEIRODIUARPEE-CYBMUJFWSA-N 2 2 275.783 3.361 50 0 CGAALP Cc1[nH]c(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c[nH+]1 ZINC000215136898 376146052 /nfs/dbraw/zinc/14/60/52/376146052.db2.gz BTEIRODIUARPEE-CYBMUJFWSA-N 2 2 275.783 3.361 50 0 CGAALP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000096479336 392255892 /nfs/dbraw/zinc/25/58/92/392255892.db2.gz YJVUEVKSSSKFDM-MRXNPFEDSA-N 2 2 282.378 3.346 50 0 CGAALP C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067981966 526120188 /nfs/dbraw/zinc/12/01/88/526120188.db2.gz HITLTEJBUJYCGF-HNNXBMFYSA-N 2 2 292.386 3.460 50 0 CGAALP C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067981966 526120197 /nfs/dbraw/zinc/12/01/97/526120197.db2.gz HITLTEJBUJYCGF-HNNXBMFYSA-N 2 2 292.386 3.460 50 0 CGAALP Cc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2cccnc2)cc1C ZINC000952989309 636777268 /nfs/dbraw/zinc/77/72/68/636777268.db2.gz PXMNIMSVCMRUQZ-IBGZPJMESA-N 2 2 295.430 3.129 50 0 CGAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1Cl ZINC001506409931 937989781 /nfs/dbraw/zinc/98/97/81/937989781.db2.gz AUOAUOGHJHIAET-ZDUSSCGKSA-N 2 2 281.762 3.244 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000191963205 346267276 /nfs/dbraw/zinc/26/72/76/346267276.db2.gz FESXXGANYOTDMQ-HNNXBMFYSA-N 2 2 299.418 3.180 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000191963205 346267279 /nfs/dbraw/zinc/26/72/79/346267279.db2.gz FESXXGANYOTDMQ-HNNXBMFYSA-N 2 2 299.418 3.180 50 0 CGAALP COc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000243796 368322881 /nfs/dbraw/zinc/32/28/81/368322881.db2.gz RBOOODXWOLPCQH-UHFFFAOYSA-N 2 2 288.435 3.146 50 0 CGAALP C[NH+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000019959231 368789564 /nfs/dbraw/zinc/78/95/64/368789564.db2.gz BMLANFVFABOBKN-UHFFFAOYSA-N 2 2 268.404 3.317 50 0 CGAALP CCc1c[nH+]c(C)nc1N[C@H](C[NH+](C)C)c1ccccc1 ZINC000065533865 369682785 /nfs/dbraw/zinc/68/27/85/369682785.db2.gz OBRHOKPYCCIAGO-MRXNPFEDSA-N 2 2 284.407 3.062 50 0 CGAALP Fc1ccc(-c2[nH+]ccn2CC23CCC[NH+]2CCC3)cc1 ZINC000067789011 369729285 /nfs/dbraw/zinc/72/92/85/369729285.db2.gz KQQMYADZRMIBJA-UHFFFAOYSA-N 2 2 285.366 3.318 50 0 CGAALP c1cn(CC2CC2)c([C@H]2CCCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000082157056 369999700 /nfs/dbraw/zinc/99/97/00/369999700.db2.gz FTHLSSLMYPTIPI-HNNXBMFYSA-N 2 2 282.391 3.072 50 0 CGAALP c1cn(Cc2ccccc2)c(CC[NH2+]C(C2CC2)C2CC2)[nH+]1 ZINC000089841110 370048971 /nfs/dbraw/zinc/04/89/71/370048971.db2.gz IQDNDNYDLJPOJC-UHFFFAOYSA-N 2 2 295.430 3.252 50 0 CGAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000097377002 370241306 /nfs/dbraw/zinc/24/13/06/370241306.db2.gz DTADJRWVIXJONH-JKSUJKDBSA-N 2 2 273.424 3.031 50 0 CGAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000097377002 370241314 /nfs/dbraw/zinc/24/13/14/370241314.db2.gz DTADJRWVIXJONH-JKSUJKDBSA-N 2 2 273.424 3.031 50 0 CGAALP C[C@@H](Cc1ccsc1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000095419944 370186938 /nfs/dbraw/zinc/18/69/38/370186938.db2.gz QPSKFCSMSJXUJW-ZDUSSCGKSA-N 2 2 285.416 3.159 50 0 CGAALP CCC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850564 375794081 /nfs/dbraw/zinc/79/40/81/375794081.db2.gz BAXJMRPVHJTNQD-NVXWUHKLSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850564 375794085 /nfs/dbraw/zinc/79/40/85/375794085.db2.gz BAXJMRPVHJTNQD-NVXWUHKLSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192850564 375794089 /nfs/dbraw/zinc/79/40/89/375794089.db2.gz BAXJMRPVHJTNQD-NVXWUHKLSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192850564 375794094 /nfs/dbraw/zinc/79/40/94/375794094.db2.gz BAXJMRPVHJTNQD-NVXWUHKLSA-N 2 2 275.440 3.024 50 0 CGAALP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000095967088 185046806 /nfs/dbraw/zinc/04/68/06/185046806.db2.gz TWIQUFXFAIDANK-IRXDYDNUSA-N 2 2 287.382 3.338 50 0 CGAALP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000091339378 180136538 /nfs/dbraw/zinc/13/65/38/180136538.db2.gz COSWEFZIUUNWHI-QGZVFWFLSA-N 2 2 290.451 3.084 50 0 CGAALP Clc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000000317151 368340759 /nfs/dbraw/zinc/34/07/59/368340759.db2.gz GHJKHCIVSHLAMO-UHFFFAOYSA-N 2 2 278.827 3.400 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680887 369605382 /nfs/dbraw/zinc/60/53/82/369605382.db2.gz ABSJJRMEYARXHF-CYBMUJFWSA-N 2 2 298.415 3.185 50 0 CGAALP CCc1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc[nH+]1 ZINC000095384055 370181527 /nfs/dbraw/zinc/18/15/27/370181527.db2.gz HIBRAJQGSZNVLA-UHFFFAOYSA-N 2 2 296.418 3.247 50 0 CGAALP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174396561 373305700 /nfs/dbraw/zinc/30/57/00/373305700.db2.gz NMLDYRJVIMHGHG-LJQANCHMSA-N 2 2 295.430 3.036 50 0 CGAALP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174396561 373305708 /nfs/dbraw/zinc/30/57/08/373305708.db2.gz NMLDYRJVIMHGHG-LJQANCHMSA-N 2 2 295.430 3.036 50 0 CGAALP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174396561 373305713 /nfs/dbraw/zinc/30/57/13/373305713.db2.gz NMLDYRJVIMHGHG-LJQANCHMSA-N 2 2 295.430 3.036 50 0 CGAALP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174396561 373305719 /nfs/dbraw/zinc/30/57/19/373305719.db2.gz NMLDYRJVIMHGHG-LJQANCHMSA-N 2 2 295.430 3.036 50 0 CGAALP CCCc1[nH+]ccn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000188112336 375160393 /nfs/dbraw/zinc/16/03/93/375160393.db2.gz QOQRBKBODYDGSN-UHFFFAOYSA-N 2 2 266.348 3.070 50 0 CGAALP Cc1ccc2[nH]c(C3CCC(C[NH3+])CC3)[nH+]c2c1C ZINC000019737168 281024968 /nfs/dbraw/zinc/02/49/68/281024968.db2.gz RUNYFSNGZSEYBT-UHFFFAOYSA-N 2 2 257.381 3.412 50 0 CGAALP Cc1ccc2[nH+]c(C3CCC(C[NH3+])CC3)[nH]c2c1C ZINC000019737168 281024973 /nfs/dbraw/zinc/02/49/73/281024973.db2.gz RUNYFSNGZSEYBT-UHFFFAOYSA-N 2 2 257.381 3.412 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC001506399899 937989690 /nfs/dbraw/zinc/98/96/90/937989690.db2.gz RMFHSOXLKHKAAM-JTQLQIEISA-N 2 2 297.324 3.041 50 0 CGAALP CC(C)c1[nH+]ccn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000123564764 187098698 /nfs/dbraw/zinc/09/86/98/187098698.db2.gz YEERVRMQBCOPRI-UHFFFAOYSA-N 2 2 274.755 3.356 50 0 CGAALP Clc1cccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000065372722 369669611 /nfs/dbraw/zinc/66/96/11/369669611.db2.gz JNLKKOQNPSADFI-OAHLLOKOSA-N 2 2 289.810 3.449 50 0 CGAALP Clc1cccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000065372722 369669617 /nfs/dbraw/zinc/66/96/17/369669617.db2.gz JNLKKOQNPSADFI-OAHLLOKOSA-N 2 2 289.810 3.449 50 0 CGAALP c1cn(CC2CC2)c(C2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC000082086744 369998573 /nfs/dbraw/zinc/99/85/73/369998573.db2.gz BCGVEJNUQQNUOK-UHFFFAOYSA-N 2 2 273.424 3.273 50 0 CGAALP C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000170088209 372634692 /nfs/dbraw/zinc/63/46/92/372634692.db2.gz CNYLBGQCNMPGAD-WMLDXEAASA-N 2 2 285.391 3.092 50 0 CGAALP Cc1ccc(NCCCn2cc[nH+]c2-c2ccncc2)[nH+]c1 ZINC000077503940 177276282 /nfs/dbraw/zinc/27/62/82/177276282.db2.gz PBPWXASDRBRMSZ-UHFFFAOYSA-N 2 2 293.374 3.151 50 0 CGAALP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000078802085 177390145 /nfs/dbraw/zinc/39/01/45/177390145.db2.gz AXFHUCVHRJVIHD-SFHVURJKSA-N 2 2 287.451 3.170 50 0 CGAALP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000078802085 177390146 /nfs/dbraw/zinc/39/01/46/177390146.db2.gz AXFHUCVHRJVIHD-SFHVURJKSA-N 2 2 287.451 3.170 50 0 CGAALP CCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)nc1 ZINC000952981735 615674130 /nfs/dbraw/zinc/67/41/30/615674130.db2.gz VWZJNDAXEAKYDT-UHFFFAOYSA-N 2 2 292.386 3.120 50 0 CGAALP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004737 185063382 /nfs/dbraw/zinc/06/33/82/185063382.db2.gz SUZULDOCJMIDOX-GXTWGEPZSA-N 2 2 293.480 3.194 50 0 CGAALP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000096004737 185063383 /nfs/dbraw/zinc/06/33/83/185063383.db2.gz SUZULDOCJMIDOX-GXTWGEPZSA-N 2 2 293.480 3.194 50 0 CGAALP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000000317182 368340651 /nfs/dbraw/zinc/34/06/51/368340651.db2.gz WLCZCODIFJSGEQ-HZPDHXFCSA-N 2 2 287.451 3.024 50 0 CGAALP C[NH+]1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000003683592 368518529 /nfs/dbraw/zinc/51/85/29/368518529.db2.gz KJKXPXOMQVTDGR-UHFFFAOYSA-N 2 2 280.415 3.460 50 0 CGAALP [NH3+]CC1CCC(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000019737164 368762644 /nfs/dbraw/zinc/76/26/44/368762644.db2.gz KLVFFSPRTLKYPE-UHFFFAOYSA-N 2 2 263.772 3.449 50 0 CGAALP C[NH+](C)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019809456 368769038 /nfs/dbraw/zinc/76/90/38/368769038.db2.gz UYQLMGALVYDSQL-SFHVURJKSA-N 2 2 268.404 3.122 50 0 CGAALP c1ccc([C@H](C[NH2+]Cc2ccncc2)[NH+]2CCCC2)cc1 ZINC000020096470 368801872 /nfs/dbraw/zinc/80/18/72/368801872.db2.gz JOMXRYDAEPHVHN-SFHVURJKSA-N 2 2 281.403 3.008 50 0 CGAALP [NH3+]CC[NH2+][C@H](c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022917487 368814158 /nfs/dbraw/zinc/81/41/58/368814158.db2.gz NBOQTNFQBDDHOV-OAHLLOKOSA-N 2 2 294.320 3.343 50 0 CGAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)s1)CCC2 ZINC000089656591 370044926 /nfs/dbraw/zinc/04/49/26/370044926.db2.gz FGCCRQWBYGWBDJ-CYBMUJFWSA-N 2 2 275.421 3.229 50 0 CGAALP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)o1 ZINC000097139252 370230963 /nfs/dbraw/zinc/23/09/63/370230963.db2.gz RIBSVCBJZYMIFE-HNNXBMFYSA-N 2 2 287.407 3.085 50 0 CGAALP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)o1 ZINC000097139252 370230967 /nfs/dbraw/zinc/23/09/67/370230967.db2.gz RIBSVCBJZYMIFE-HNNXBMFYSA-N 2 2 287.407 3.085 50 0 CGAALP Cc1[nH+]cn(Cc2ccc(Cn3c[nH+]c(C)c3C)cc2)c1C ZINC000092856886 541978243 /nfs/dbraw/zinc/97/82/43/541978243.db2.gz WSKIKNJWFOVWJK-UHFFFAOYSA-N 2 2 294.402 3.410 50 0 CGAALP CCOC1CC(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000585117274 378397454 /nfs/dbraw/zinc/39/74/54/378397454.db2.gz XDJOSRUCEMAXMU-OBHHBEAMSA-N 2 2 290.451 3.083 50 0 CGAALP C[NH+](C)C[C@H]1CC[N@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670452575 543155592 /nfs/dbraw/zinc/15/55/92/543155592.db2.gz DRIMRVIQCWDBBS-GFCCVEGCSA-N 2 2 291.826 3.205 50 0 CGAALP C[NH+](C)C[C@H]1CC[N@@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670452575 543155594 /nfs/dbraw/zinc/15/55/94/543155594.db2.gz DRIMRVIQCWDBBS-GFCCVEGCSA-N 2 2 291.826 3.205 50 0 CGAALP COc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)c1 ZINC000072412086 176398858 /nfs/dbraw/zinc/39/88/58/176398858.db2.gz VJSQMJKRQRIOFZ-HNNXBMFYSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(F)c(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)c1 ZINC000072412086 176398860 /nfs/dbraw/zinc/39/88/60/176398860.db2.gz VJSQMJKRQRIOFZ-HNNXBMFYSA-N 2 2 294.414 3.141 50 0 CGAALP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000096476727 529163278 /nfs/dbraw/zinc/16/32/78/529163278.db2.gz XBGXRIIWGAEPDY-CYBMUJFWSA-N 2 2 257.381 3.274 50 0 CGAALP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000097016522 529183633 /nfs/dbraw/zinc/18/36/33/529183633.db2.gz QACSRQOTLFENMX-QGZVFWFLSA-N 2 2 269.392 3.210 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)OCC1(C)C ZINC000192145630 620382687 /nfs/dbraw/zinc/38/26/87/620382687.db2.gz VOGNVCAOLIYDRC-HNNXBMFYSA-N 2 2 299.418 3.180 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)OCC1(C)C ZINC000192145630 620382690 /nfs/dbraw/zinc/38/26/90/620382690.db2.gz VOGNVCAOLIYDRC-HNNXBMFYSA-N 2 2 299.418 3.180 50 0 CGAALP C[C@H](Nc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000095990585 185057697 /nfs/dbraw/zinc/05/76/97/185057697.db2.gz BZMCCFDVGOZYIO-AWEZNQCLSA-N 2 2 284.407 3.015 50 0 CGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071992 345830839 /nfs/dbraw/zinc/83/08/39/345830839.db2.gz XUNOKTLHDXZNTA-GFCCVEGCSA-N 2 2 261.394 3.159 50 0 CGAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071992 345830842 /nfs/dbraw/zinc/83/08/42/345830842.db2.gz XUNOKTLHDXZNTA-GFCCVEGCSA-N 2 2 261.394 3.159 50 0 CGAALP Cc1c2ccccc2oc1C[NH+]1C[C@H]2CC[C@H](C[N@H+]2C)C1 ZINC000091595606 180201064 /nfs/dbraw/zinc/20/10/64/180201064.db2.gz ROYHGALKWHIHQX-HUUCEWRRSA-N 2 2 284.403 3.267 50 0 CGAALP Cc1c2ccccc2oc1C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2C)C1 ZINC000091595606 180201067 /nfs/dbraw/zinc/20/10/67/180201067.db2.gz ROYHGALKWHIHQX-HUUCEWRRSA-N 2 2 284.403 3.267 50 0 CGAALP Cc1c2ccccc2oc1C[N@H+]1C[C@H]2CC[C@H](C[NH+]2C)C1 ZINC000091595606 180201068 /nfs/dbraw/zinc/20/10/68/180201068.db2.gz ROYHGALKWHIHQX-HUUCEWRRSA-N 2 2 284.403 3.267 50 0 CGAALP Cc1c2ccccc2oc1C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2C)C1 ZINC000091595606 180201070 /nfs/dbraw/zinc/20/10/70/180201070.db2.gz ROYHGALKWHIHQX-HUUCEWRRSA-N 2 2 284.403 3.267 50 0 CGAALP COCCn1cc[nH+]c1C1CC[NH+](CCC=C(C)C)CC1 ZINC000091807980 180260790 /nfs/dbraw/zinc/26/07/90/180260790.db2.gz AFBFFVKTXZRIEF-UHFFFAOYSA-N 2 2 291.439 3.065 50 0 CGAALP C[C@H](c1[nH+]ccn1CCCn1cc[nH+]c1)c1ccccc1 ZINC000067541406 369720502 /nfs/dbraw/zinc/72/05/02/369720502.db2.gz YZIWKUNWWOYCIV-HNNXBMFYSA-N 2 2 280.375 3.322 50 0 CGAALP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)ccc1F ZINC000072427401 369818798 /nfs/dbraw/zinc/81/87/98/369818798.db2.gz SPERMWRDDNCIPI-OAHLLOKOSA-N 2 2 294.414 3.141 50 0 CGAALP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)ccc1F ZINC000072427401 369818805 /nfs/dbraw/zinc/81/88/05/369818805.db2.gz SPERMWRDDNCIPI-OAHLLOKOSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072478104 369822851 /nfs/dbraw/zinc/82/28/51/369822851.db2.gz RUSDFLOLONPXRP-MRXNPFEDSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072478104 369822854 /nfs/dbraw/zinc/82/28/54/369822854.db2.gz RUSDFLOLONPXRP-MRXNPFEDSA-N 2 2 294.414 3.141 50 0 CGAALP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(F)c(F)c1 ZINC000084647933 370013365 /nfs/dbraw/zinc/01/33/65/370013365.db2.gz MVJVMJQOCPVTML-DGCLKSJQSA-N 2 2 291.345 3.390 50 0 CGAALP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000089904777 370050446 /nfs/dbraw/zinc/05/04/46/370050446.db2.gz KBBNLNNXCJCSBC-CYBMUJFWSA-N 2 2 261.344 3.105 50 0 CGAALP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000089904777 370050455 /nfs/dbraw/zinc/05/04/55/370050455.db2.gz KBBNLNNXCJCSBC-CYBMUJFWSA-N 2 2 261.344 3.105 50 0 CGAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000095355829 370177398 /nfs/dbraw/zinc/17/73/98/370177398.db2.gz FMRDYLFWDGOUGI-ZDUSSCGKSA-N 2 2 290.436 3.300 50 0 CGAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000095355829 370177402 /nfs/dbraw/zinc/17/74/02/370177402.db2.gz FMRDYLFWDGOUGI-ZDUSSCGKSA-N 2 2 290.436 3.300 50 0 CGAALP CCCCn1cc[nH+]c1C1CCN(c2cccc[nH+]2)CC1 ZINC000095531440 370201864 /nfs/dbraw/zinc/20/18/64/370201864.db2.gz KKHPCPRMXOWSAJ-UHFFFAOYSA-N 2 2 284.407 3.462 50 0 CGAALP C[C@H]([NH2+]CCC[NH+]1CCCCCC1)c1ccc(F)cn1 ZINC000092720534 541977077 /nfs/dbraw/zinc/97/70/77/541977077.db2.gz ZIRYKBVAMHGWKM-AWEZNQCLSA-N 2 2 279.403 3.137 50 0 CGAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000215194851 376147448 /nfs/dbraw/zinc/14/74/48/376147448.db2.gz IRUBIADEWKNUCS-QGZVFWFLSA-N 2 2 283.419 3.498 50 0 CGAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000215194851 376147453 /nfs/dbraw/zinc/14/74/53/376147453.db2.gz IRUBIADEWKNUCS-QGZVFWFLSA-N 2 2 283.419 3.498 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1sccc1Cl)C2 ZINC000225609821 376318090 /nfs/dbraw/zinc/31/80/90/376318090.db2.gz OAYCPUKIINHEGW-SNVBAGLBSA-N 2 2 281.812 3.011 50 0 CGAALP Cc1ccc(C(C)C)cc1OCCC[NH2+]CC[NH+](C)C ZINC000020418898 171183937 /nfs/dbraw/zinc/18/39/37/171183937.db2.gz XRKAGGBBHYBBCO-UHFFFAOYSA-N 2 2 278.440 3.039 50 0 CGAALP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000078802082 177390408 /nfs/dbraw/zinc/39/04/08/177390408.db2.gz AXFHUCVHRJVIHD-GOSISDBHSA-N 2 2 287.451 3.170 50 0 CGAALP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000078802082 177390409 /nfs/dbraw/zinc/39/04/09/177390409.db2.gz AXFHUCVHRJVIHD-GOSISDBHSA-N 2 2 287.451 3.170 50 0 CGAALP [NH3+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000020285937 274953895 /nfs/dbraw/zinc/95/38/95/274953895.db2.gz XPAVXOWMUTZOFW-UHFFFAOYSA-N 2 2 263.344 3.057 50 0 CGAALP c1cc2ccc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)cc2[nH]1 ZINC000020351035 618977538 /nfs/dbraw/zinc/97/75/38/618977538.db2.gz RCMMMZPAVIGHMH-INIZCTEOSA-N 2 2 294.402 3.277 50 0 CGAALP c1cc2ccc(C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)cc2[nH]1 ZINC000020351035 618977540 /nfs/dbraw/zinc/97/75/40/618977540.db2.gz RCMMMZPAVIGHMH-INIZCTEOSA-N 2 2 294.402 3.277 50 0 CGAALP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1C ZINC000195558115 346273675 /nfs/dbraw/zinc/27/36/75/346273675.db2.gz MBLBOWYKHTVRJV-ZBFHGGJFSA-N 2 2 299.418 3.174 50 0 CGAALP Cn1cc[nH+]c1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000092080712 180318964 /nfs/dbraw/zinc/31/89/64/180318964.db2.gz YCLYEKYODMCHKD-UHFFFAOYSA-N 2 2 283.419 3.232 50 0 CGAALP Cc1ccc2[nH]c(CCC[NH2+][C@@H]3CCSC3)[nH+]c2c1C ZINC000067691423 369725442 /nfs/dbraw/zinc/72/54/42/369725442.db2.gz ZVCOUSKGODAPDC-CYBMUJFWSA-N 2 2 289.448 3.207 50 0 CGAALP Cc1ccc2[nH+]c(CCC[NH2+][C@@H]3CCSC3)[nH]c2c1C ZINC000067691423 369725444 /nfs/dbraw/zinc/72/54/44/369725444.db2.gz ZVCOUSKGODAPDC-CYBMUJFWSA-N 2 2 289.448 3.207 50 0 CGAALP CC(C)c1[nH+]ccn1CCCn1cc[nH+]c1C(C)C ZINC000097236195 370236472 /nfs/dbraw/zinc/23/64/72/370236472.db2.gz IOOFIYZAKWZREV-UHFFFAOYSA-N 2 2 260.385 3.417 50 0 CGAALP COC[C@@H]1CCC[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000097660339 370249607 /nfs/dbraw/zinc/24/96/07/370249607.db2.gz IFIRYSVJQAOZQX-OAHLLOKOSA-N 2 2 291.439 3.001 50 0 CGAALP C[C@H](Cc1ccsc1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000095419945 370186904 /nfs/dbraw/zinc/18/69/04/370186904.db2.gz QPSKFCSMSJXUJW-CYBMUJFWSA-N 2 2 285.416 3.159 50 0 CGAALP Clc1c[nH+]ccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000176893822 373638706 /nfs/dbraw/zinc/63/87/06/373638706.db2.gz LVMADRMBYQDHHX-GFCCVEGCSA-N 2 2 288.782 3.068 50 0 CGAALP Cc1cnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000189915877 375458606 /nfs/dbraw/zinc/45/86/06/375458606.db2.gz LTGYEMSTICXEDF-ZDUSSCGKSA-N 2 2 298.415 3.488 50 0 CGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000229315879 376462793 /nfs/dbraw/zinc/46/27/93/376462793.db2.gz LREUFWQPTRHVSA-CRAIPNDOSA-N 2 2 281.403 3.007 50 0 CGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000229315879 376462805 /nfs/dbraw/zinc/46/28/05/376462805.db2.gz LREUFWQPTRHVSA-CRAIPNDOSA-N 2 2 281.403 3.007 50 0 CGAALP C[N@H+](Cc1c[nH+]cn1C1CC1)[C@H](c1ccccn1)C1CC1 ZINC000252488281 377630633 /nfs/dbraw/zinc/63/06/33/377630633.db2.gz IOMLOUUQBHNVFY-KRWDZBQOSA-N 2 2 282.391 3.196 50 0 CGAALP C[N@@H+](Cc1c[nH+]cn1C1CC1)[C@H](c1ccccn1)C1CC1 ZINC000252488281 377630641 /nfs/dbraw/zinc/63/06/41/377630641.db2.gz IOMLOUUQBHNVFY-KRWDZBQOSA-N 2 2 282.391 3.196 50 0 CGAALP CCOC1CC(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000585117276 378397421 /nfs/dbraw/zinc/39/74/21/378397421.db2.gz XDJOSRUCEMAXMU-VSVYTNTFSA-N 2 2 290.451 3.083 50 0 CGAALP CCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)o1 ZINC000670456418 543155828 /nfs/dbraw/zinc/15/58/28/543155828.db2.gz MCPJIZPROJHJMM-UHFFFAOYSA-N 2 2 286.375 3.280 50 0 CGAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1C ZINC000006350989 170194708 /nfs/dbraw/zinc/19/47/08/170194708.db2.gz GIJPQWZWEFIABL-UHFFFAOYSA-N 2 2 299.418 3.432 50 0 CGAALP CCC[C@H]1c2[nH]c[nH+]c2CC[N@H+]1CCc1ccccc1 ZINC000071760237 176261331 /nfs/dbraw/zinc/26/13/31/176261331.db2.gz LCFKEAKMIMUGHO-INIZCTEOSA-N 2 2 269.392 3.352 50 0 CGAALP CCC[C@H]1c2[nH]c[nH+]c2CC[N@@H+]1CCc1ccccc1 ZINC000071760237 176261333 /nfs/dbraw/zinc/26/13/33/176261333.db2.gz LCFKEAKMIMUGHO-INIZCTEOSA-N 2 2 269.392 3.352 50 0 CGAALP CC1CCC([NH+]2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000004745577 275929453 /nfs/dbraw/zinc/92/94/53/275929453.db2.gz DIKZSWADIHRQBQ-YZUHTNEWSA-N 2 2 294.483 3.139 50 0 CGAALP CC1CCC([NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000004745574 275929561 /nfs/dbraw/zinc/92/95/61/275929561.db2.gz DIKZSWADIHRQBQ-JCCCHCCOSA-N 2 2 294.483 3.139 50 0 CGAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000252510270 328105991 /nfs/dbraw/zinc/10/59/91/328105991.db2.gz ZFWAUHYETWVQGK-INIZCTEOSA-N 2 2 299.418 3.291 50 0 CGAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000252510270 328105993 /nfs/dbraw/zinc/10/59/93/328105993.db2.gz ZFWAUHYETWVQGK-INIZCTEOSA-N 2 2 299.418 3.291 50 0 CGAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000106217013 345929789 /nfs/dbraw/zinc/92/97/89/345929789.db2.gz CQSHWPHPSTVAFI-MRXNPFEDSA-N 2 2 299.418 3.161 50 0 CGAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000106217013 345929793 /nfs/dbraw/zinc/92/97/93/345929793.db2.gz CQSHWPHPSTVAFI-MRXNPFEDSA-N 2 2 299.418 3.161 50 0 CGAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000000317333 368340748 /nfs/dbraw/zinc/34/07/48/368340748.db2.gz JAFGXYZWVXABRL-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000000317333 368340749 /nfs/dbraw/zinc/34/07/49/368340749.db2.gz JAFGXYZWVXABRL-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP CCCCc1[nH+]ccn1CCn1cc[nH+]c1CCCC ZINC000002483226 368456165 /nfs/dbraw/zinc/45/61/65/368456165.db2.gz XXTNFFHBSNFWRJ-UHFFFAOYSA-N 2 2 274.412 3.465 50 0 CGAALP Cc1[nH]c(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000065403400 369673652 /nfs/dbraw/zinc/67/36/52/369673652.db2.gz ILTOYAJFPAXHEE-UHFFFAOYSA-N 2 2 273.424 3.366 50 0 CGAALP Cc1[nH]c(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000065403400 369673656 /nfs/dbraw/zinc/67/36/56/369673656.db2.gz ILTOYAJFPAXHEE-UHFFFAOYSA-N 2 2 273.424 3.366 50 0 CGAALP Cc1[nH]c(C)c(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426597393 372166021 /nfs/dbraw/zinc/16/60/21/372166021.db2.gz KULZXWAGPXQYKZ-CYBMUJFWSA-N 2 2 285.391 3.087 50 0 CGAALP Cc1[nH]c(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(C)[nH+]1 ZINC000426597393 372166029 /nfs/dbraw/zinc/16/60/29/372166029.db2.gz KULZXWAGPXQYKZ-CYBMUJFWSA-N 2 2 285.391 3.087 50 0 CGAALP c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000008731137 170351363 /nfs/dbraw/zinc/35/13/63/170351363.db2.gz KHSFZCPGVFDBKX-UHFFFAOYSA-N 2 2 267.376 3.158 50 0 CGAALP C[NH+]1CCC([N@@H+](Cc2ccncc2)C[C@H]2CC=CCC2)CC1 ZINC000072153690 176328192 /nfs/dbraw/zinc/32/81/92/176328192.db2.gz YXELGGXCJOVLRI-KRWDZBQOSA-N 2 2 299.462 3.334 50 0 CGAALP C[NH+]1CCC([N@H+](Cc2ccncc2)C[C@H]2CC=CCC2)CC1 ZINC000072153690 176328194 /nfs/dbraw/zinc/32/81/94/176328194.db2.gz YXELGGXCJOVLRI-KRWDZBQOSA-N 2 2 299.462 3.334 50 0 CGAALP Cc1cccc(Nc2cc(C)[nH+]c(C3CC[NH2+]CC3)c2)n1 ZINC000072343473 176372202 /nfs/dbraw/zinc/37/22/02/176372202.db2.gz KPDSMPPNQLFVDE-UHFFFAOYSA-N 2 2 282.391 3.304 50 0 CGAALP Cc1cccc(Nc2cc(C)[nH+]c(C3CC[NH2+]CC3)c2)[nH+]1 ZINC000072343473 176372203 /nfs/dbraw/zinc/37/22/03/176372203.db2.gz KPDSMPPNQLFVDE-UHFFFAOYSA-N 3 2 282.391 3.304 50 0 CGAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534655975 328339883 /nfs/dbraw/zinc/33/98/83/328339883.db2.gz IYKOCAVMAPKRSC-ZDUSSCGKSA-N 2 2 289.810 3.246 50 0 CGAALP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000000199236 618743881 /nfs/dbraw/zinc/74/38/81/618743881.db2.gz LPHHNLIHWVXNBH-UHFFFAOYSA-N 2 2 286.341 3.231 50 0 CGAALP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000000199236 618743883 /nfs/dbraw/zinc/74/38/83/618743883.db2.gz LPHHNLIHWVXNBH-UHFFFAOYSA-N 2 2 286.341 3.231 50 0 CGAALP C[NH+]1CCC([N@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000213508 640919302 /nfs/dbraw/zinc/91/93/02/640919302.db2.gz KCNNZQCAKXJEFL-UHFFFAOYSA-N 2 2 274.383 3.009 50 0 CGAALP C[NH+]1CCC([N@@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000213508 640919304 /nfs/dbraw/zinc/91/93/04/640919304.db2.gz KCNNZQCAKXJEFL-UHFFFAOYSA-N 2 2 274.383 3.009 50 0 CGAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000180132692 189238410 /nfs/dbraw/zinc/23/84/10/189238410.db2.gz CJEPKQFJIUNRJP-CYBMUJFWSA-N 2 2 291.345 3.134 50 0 CGAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000180132692 189238411 /nfs/dbraw/zinc/23/84/11/189238411.db2.gz CJEPKQFJIUNRJP-CYBMUJFWSA-N 2 2 291.345 3.134 50 0 CGAALP Fc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067789463 369728477 /nfs/dbraw/zinc/72/84/77/369728477.db2.gz PRNSEIHSSWBGBF-OAHLLOKOSA-N 2 2 282.790 3.055 50 0 CGAALP Fc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067789463 369728483 /nfs/dbraw/zinc/72/84/83/369728483.db2.gz PRNSEIHSSWBGBF-OAHLLOKOSA-N 2 2 282.790 3.055 50 0 CGAALP CNc1cc(C)[nH+]c(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000097243658 370236950 /nfs/dbraw/zinc/23/69/50/370236950.db2.gz QTHDJNYGVKWAKB-GFCCVEGCSA-N 2 2 270.380 3.116 50 0 CGAALP C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000004712163 170003600 /nfs/dbraw/zinc/00/36/00/170003600.db2.gz WSHXXAJVMARHCF-HOTGVXAUSA-N 2 2 287.451 3.024 50 0 CGAALP CC(C)c1[nH+]ccn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071499063 176192116 /nfs/dbraw/zinc/19/21/16/176192116.db2.gz IARUBDLNVSGERK-INIZCTEOSA-N 2 2 269.392 3.454 50 0 CGAALP CC(C)c1[nH+]ccn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071499063 176192117 /nfs/dbraw/zinc/19/21/17/176192117.db2.gz IARUBDLNVSGERK-INIZCTEOSA-N 2 2 269.392 3.454 50 0 CGAALP CC1(C)C[N@H+](CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC000426434395 278333930 /nfs/dbraw/zinc/33/39/30/278333930.db2.gz ATXDYDSIAPOTCK-HNNXBMFYSA-N 2 2 269.392 3.078 50 0 CGAALP CC1(C)C[N@@H+](CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC000426434395 278333932 /nfs/dbraw/zinc/33/39/32/278333932.db2.gz ATXDYDSIAPOTCK-HNNXBMFYSA-N 2 2 269.392 3.078 50 0 CGAALP C[C@H](c1cccc(-c2[nH+]ccn2C)c1)[NH+]1CCCC1 ZINC000096138869 185105916 /nfs/dbraw/zinc/10/59/16/185105916.db2.gz OHUWFGIMADEFNL-CYBMUJFWSA-N 2 2 255.365 3.244 50 0 CGAALP c1cn(C[C@H]2CCC[N@@H+]2Cc2coc3ccccc23)c[nH+]1 ZINC000188401596 346262041 /nfs/dbraw/zinc/26/20/41/346262041.db2.gz QLGBKBAQZLCVCL-OAHLLOKOSA-N 2 2 281.359 3.294 50 0 CGAALP c1cn(C[C@H]2CCC[N@H+]2Cc2coc3ccccc23)c[nH+]1 ZINC000188401596 346262042 /nfs/dbraw/zinc/26/20/42/346262042.db2.gz QLGBKBAQZLCVCL-OAHLLOKOSA-N 2 2 281.359 3.294 50 0 CGAALP CS[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090725476 180032823 /nfs/dbraw/zinc/03/28/23/180032823.db2.gz MZECFSQOFSRDDI-QWHCGFSZSA-N 2 2 275.421 3.274 50 0 CGAALP c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000243825 368322717 /nfs/dbraw/zinc/32/27/17/368322717.db2.gz NTYOWZTVTNNSJW-UHFFFAOYSA-N 2 2 258.409 3.137 50 0 CGAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000082134298 369999762 /nfs/dbraw/zinc/99/97/62/369999762.db2.gz XXKFVSLAQMJUQF-OAHLLOKOSA-N 2 2 261.413 3.180 50 0 CGAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000082134298 369999765 /nfs/dbraw/zinc/99/97/65/369999765.db2.gz XXKFVSLAQMJUQF-OAHLLOKOSA-N 2 2 261.413 3.180 50 0 CGAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000095404879 370183830 /nfs/dbraw/zinc/18/38/30/370183830.db2.gz TUXWFUHJQUWAQX-MRXNPFEDSA-N 2 2 298.430 3.422 50 0 CGAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000095404879 370183836 /nfs/dbraw/zinc/18/38/36/370183836.db2.gz TUXWFUHJQUWAQX-MRXNPFEDSA-N 2 2 298.430 3.422 50 0 CGAALP CC1(C)[C@H]([NH2+]CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000097379776 370241567 /nfs/dbraw/zinc/24/15/67/370241567.db2.gz JSJGQMZJJHCHEM-JKSUJKDBSA-N 2 2 269.392 3.055 50 0 CGAALP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000097698817 370251947 /nfs/dbraw/zinc/25/19/47/370251947.db2.gz HQSDBYGZHQWJEP-ZDUSSCGKSA-N 2 2 284.806 3.395 50 0 CGAALP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000097698817 370251948 /nfs/dbraw/zinc/25/19/48/370251948.db2.gz HQSDBYGZHQWJEP-ZDUSSCGKSA-N 2 2 284.806 3.395 50 0 CGAALP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1F ZINC000163461518 372471385 /nfs/dbraw/zinc/47/13/85/372471385.db2.gz AVAOFRGKGNAAEW-MRXNPFEDSA-N 2 2 264.388 3.351 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000277060901 379055900 /nfs/dbraw/zinc/05/59/00/379055900.db2.gz DHLAFZIBDADHFN-HUUCEWRRSA-N 2 2 264.438 3.052 50 0 CGAALP CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CCOc2ccccc2)C1 ZINC000071749719 176259457 /nfs/dbraw/zinc/25/94/57/176259457.db2.gz NPXRJRVUCAQFQW-INIZCTEOSA-N 2 2 299.418 3.161 50 0 CGAALP CC[N@H+]1CCC[C@H](c2[nH+]ccn2CCOc2ccccc2)C1 ZINC000071749719 176259459 /nfs/dbraw/zinc/25/94/59/176259459.db2.gz NPXRJRVUCAQFQW-INIZCTEOSA-N 2 2 299.418 3.161 50 0 CGAALP Nc1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)cc[nH+]1 ZINC000072128380 176321058 /nfs/dbraw/zinc/32/10/58/176321058.db2.gz ZMZXHWBDCKAKGO-MRXNPFEDSA-N 2 2 297.402 3.111 50 0 CGAALP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099443 274344507 /nfs/dbraw/zinc/34/45/07/274344507.db2.gz LGMIHWZHLJSBDB-GFCCVEGCSA-N 2 2 294.826 3.017 50 0 CGAALP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099443 274344508 /nfs/dbraw/zinc/34/45/08/274344508.db2.gz LGMIHWZHLJSBDB-GFCCVEGCSA-N 2 2 294.826 3.017 50 0 CGAALP C[N@@H+]1CC[C@](C)(C[NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000952963032 616452972 /nfs/dbraw/zinc/45/29/72/616452972.db2.gz HBCWEVCHUPOWEA-MRXNPFEDSA-N 2 2 291.826 3.253 50 0 CGAALP C[N@H+]1CC[C@](C)(C[NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000952963032 616452975 /nfs/dbraw/zinc/45/29/75/616452975.db2.gz HBCWEVCHUPOWEA-MRXNPFEDSA-N 2 2 291.826 3.253 50 0 CGAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]C(C)C)c1C ZINC000000104420 368290343 /nfs/dbraw/zinc/29/03/43/368290343.db2.gz POJSGMLAGQPKRR-UHFFFAOYSA-N 2 2 285.391 3.042 50 0 CGAALP c1cn(CCC[NH2+]Cc2cccc3ccccc32)c[nH+]1 ZINC000035104210 368997898 /nfs/dbraw/zinc/99/78/98/368997898.db2.gz AJVAOGMXEVDCMW-UHFFFAOYSA-N 2 2 265.360 3.216 50 0 CGAALP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000057364355 369536454 /nfs/dbraw/zinc/53/64/54/369536454.db2.gz UFXGLSFIBBLIIK-UHFFFAOYSA-N 2 2 261.196 3.035 50 0 CGAALP CCc1[nH]c(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)c(C)[nH+]1 ZINC000097694685 370251908 /nfs/dbraw/zinc/25/19/08/370251908.db2.gz RQYIKZBFMWXZCL-ZDUSSCGKSA-N 2 2 286.423 3.047 50 0 CGAALP CCc1[nH]c(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)c(C)[nH+]1 ZINC000097694685 370251914 /nfs/dbraw/zinc/25/19/14/370251914.db2.gz RQYIKZBFMWXZCL-ZDUSSCGKSA-N 2 2 286.423 3.047 50 0 CGAALP Clc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1Cl ZINC000426712547 372169676 /nfs/dbraw/zinc/16/96/76/372169676.db2.gz BGUHXJKMBLHQPX-WVKUQDAKSA-N 2 2 297.229 3.176 50 0 CGAALP Clc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1Cl ZINC000426712547 372169681 /nfs/dbraw/zinc/16/96/81/372169681.db2.gz BGUHXJKMBLHQPX-WVKUQDAKSA-N 2 2 297.229 3.176 50 0 CGAALP C[NH+](C)[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000253370914 377687393 /nfs/dbraw/zinc/68/73/93/377687393.db2.gz XYLYTZVLICOVEU-ZHALLVOQSA-N 2 2 295.430 3.243 50 0 CGAALP CCc1ccc(-c2[nH+]ccn2CCCn2cc[nH+]c2)cc1 ZINC000071315528 176121647 /nfs/dbraw/zinc/12/16/47/176121647.db2.gz XGCKWVXAKCIWAB-UHFFFAOYSA-N 2 2 280.375 3.399 50 0 CGAALP CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CCOc2ccccc2)C1 ZINC000071749720 176259617 /nfs/dbraw/zinc/25/96/17/176259617.db2.gz NPXRJRVUCAQFQW-MRXNPFEDSA-N 2 2 299.418 3.161 50 0 CGAALP CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CCOc2ccccc2)C1 ZINC000071749720 176259618 /nfs/dbraw/zinc/25/96/18/176259618.db2.gz NPXRJRVUCAQFQW-MRXNPFEDSA-N 2 2 299.418 3.161 50 0 CGAALP C[C@@H](c1[nH+]ccn1CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000071759121 176260509 /nfs/dbraw/zinc/26/05/09/176260509.db2.gz CYBFQSJMBTXNBL-CYBMUJFWSA-N 2 2 266.348 3.001 50 0 CGAALP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1ccccn1 ZINC000534589094 328317341 /nfs/dbraw/zinc/31/73/41/328317341.db2.gz IMXALGAWDATVSU-QGZVFWFLSA-N 2 2 299.418 3.380 50 0 CGAALP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000097016610 533732743 /nfs/dbraw/zinc/73/27/43/533732743.db2.gz FCKIECIGOVEIHG-CYBMUJFWSA-N 2 2 296.374 3.328 50 0 CGAALP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000095985865 185055745 /nfs/dbraw/zinc/05/57/45/185055745.db2.gz MPZDCPFQIFFWDX-HNNXBMFYSA-N 2 2 292.386 3.296 50 0 CGAALP Cc1nc(N(C)Cc2cccc(C[NH+](C)C)c2)c(C)c(C)[nH+]1 ZINC000091997315 180302842 /nfs/dbraw/zinc/30/28/42/180302842.db2.gz LDRYCCSCLIYIEM-UHFFFAOYSA-N 2 2 298.434 3.100 50 0 CGAALP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182784360 189334808 /nfs/dbraw/zinc/33/48/08/189334808.db2.gz JEQRKGAZQHWRDD-WBVHZDCISA-N 2 2 269.392 3.151 50 0 CGAALP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182784360 189334809 /nfs/dbraw/zinc/33/48/09/189334809.db2.gz JEQRKGAZQHWRDD-WBVHZDCISA-N 2 2 269.392 3.151 50 0 CGAALP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000216090 368317532 /nfs/dbraw/zinc/31/75/32/368317532.db2.gz MNOLTTIITCPZRI-YJBOKZPZSA-N 2 2 272.436 3.429 50 0 CGAALP C(C1CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020906899 368808558 /nfs/dbraw/zinc/80/85/58/368808558.db2.gz QTVQBXQKRJVCNJ-INIZCTEOSA-N 2 2 250.430 3.127 50 0 CGAALP C(C1CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020906899 368808564 /nfs/dbraw/zinc/80/85/64/368808564.db2.gz QTVQBXQKRJVCNJ-INIZCTEOSA-N 2 2 250.430 3.127 50 0 CGAALP Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000067713219 369725370 /nfs/dbraw/zinc/72/53/70/369725370.db2.gz JRAZCKDAVZJEQI-OAHLLOKOSA-N 2 2 299.418 3.129 50 0 CGAALP Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000067713219 369725371 /nfs/dbraw/zinc/72/53/71/369725371.db2.gz JRAZCKDAVZJEQI-OAHLLOKOSA-N 2 2 299.418 3.129 50 0 CGAALP CCc1[nH]c(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)c(C)[nH+]1 ZINC000097694686 370251179 /nfs/dbraw/zinc/25/11/79/370251179.db2.gz RQYIKZBFMWXZCL-CYBMUJFWSA-N 2 2 286.423 3.047 50 0 CGAALP CCc1[nH]c(C[N@@H+](C)[C@H](C)Cc2cc(C)ccn2)c(C)[nH+]1 ZINC000097694686 370251183 /nfs/dbraw/zinc/25/11/83/370251183.db2.gz RQYIKZBFMWXZCL-CYBMUJFWSA-N 2 2 286.423 3.047 50 0 CGAALP CCCCc1[nH]c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c[nH+]1 ZINC000670463587 543156340 /nfs/dbraw/zinc/15/63/40/543156340.db2.gz RYSVSTCCVAFRLK-QGZVFWFLSA-N 2 2 299.418 3.406 50 0 CGAALP CCCCc1[nH]c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c[nH+]1 ZINC000670463587 543156341 /nfs/dbraw/zinc/15/63/41/543156341.db2.gz RYSVSTCCVAFRLK-QGZVFWFLSA-N 2 2 299.418 3.406 50 0 CGAALP CCCCc1[nH]c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c[nH+]1 ZINC000670463586 543156512 /nfs/dbraw/zinc/15/65/12/543156512.db2.gz RYSVSTCCVAFRLK-KRWDZBQOSA-N 2 2 299.418 3.406 50 0 CGAALP CCCCc1[nH]c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c[nH+]1 ZINC000670463586 543156514 /nfs/dbraw/zinc/15/65/14/543156514.db2.gz RYSVSTCCVAFRLK-KRWDZBQOSA-N 2 2 299.418 3.406 50 0 CGAALP COc1ccc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000035268950 172091966 /nfs/dbraw/zinc/09/19/66/172091966.db2.gz CADGLOHJQMXCEJ-UHFFFAOYSA-N 2 2 295.386 3.225 50 0 CGAALP Cc1ccc2c(C[N@@H+]3CCCn4c[nH+]cc4C3)c[nH]c2c1 ZINC000072135227 176322397 /nfs/dbraw/zinc/32/23/97/176322397.db2.gz XJRRUJCSTGMXPV-UHFFFAOYSA-N 2 2 280.375 3.079 50 0 CGAALP Cc1ccc2c(C[N@H+]3CCCn4c[nH+]cc4C3)c[nH]c2c1 ZINC000072135227 176322399 /nfs/dbraw/zinc/32/23/99/176322399.db2.gz XJRRUJCSTGMXPV-UHFFFAOYSA-N 2 2 280.375 3.079 50 0 CGAALP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000035268970 521003041 /nfs/dbraw/zinc/00/30/41/521003041.db2.gz LNLFKVRIBYBVAL-UHFFFAOYSA-N 2 2 293.798 3.115 50 0 CGAALP c1csc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000095987162 185056690 /nfs/dbraw/zinc/05/66/90/185056690.db2.gz PWEXFJIRCZXTJQ-ZDUSSCGKSA-N 2 2 261.394 3.172 50 0 CGAALP c1csc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000095987162 185056691 /nfs/dbraw/zinc/05/66/91/185056691.db2.gz PWEXFJIRCZXTJQ-ZDUSSCGKSA-N 2 2 261.394 3.172 50 0 CGAALP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000243780 368323148 /nfs/dbraw/zinc/32/31/48/368323148.db2.gz IZWISBNYITYHDT-UHFFFAOYSA-N 2 2 288.435 3.146 50 0 CGAALP c1coc(C(Nc2cccc[nH+]2)Nc2cccc[nH+]2)c1 ZINC000000333114 368341844 /nfs/dbraw/zinc/34/18/44/368341844.db2.gz UNUJAZFQWVTAKQ-UHFFFAOYSA-N 2 2 266.304 3.292 50 0 CGAALP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)Cn1cc[nH+]c1 ZINC000129542294 370991501 /nfs/dbraw/zinc/99/15/01/370991501.db2.gz OUPKWFSLEXWTCY-AGIUHOORSA-N 2 2 289.345 3.230 50 0 CGAALP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000064845571 369661285 /nfs/dbraw/zinc/66/12/85/369661285.db2.gz GXXNWPFUTZSKHB-UHFFFAOYSA-N 2 2 299.393 3.288 50 0 CGAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)o1)CCC2 ZINC000089702127 370045844 /nfs/dbraw/zinc/04/58/44/370045844.db2.gz QUNJXDJNQZHLNB-LLVKDONJSA-N 2 2 279.771 3.105 50 0 CGAALP Clc1ccc(CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000241316953 376779246 /nfs/dbraw/zinc/77/92/46/376779246.db2.gz LWJQCZZRRJJSKL-MRXNPFEDSA-N 2 2 289.810 3.244 50 0 CGAALP Clc1ccc(CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000241316953 376779247 /nfs/dbraw/zinc/77/92/47/376779247.db2.gz LWJQCZZRRJJSKL-MRXNPFEDSA-N 2 2 289.810 3.244 50 0 CGAALP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](c2ccco2)C1 ZINC000245882288 376924889 /nfs/dbraw/zinc/92/48/89/376924889.db2.gz NUNDUXKGDUPTGV-HUUCEWRRSA-N 2 2 273.380 3.339 50 0 CGAALP CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249204489 377479325 /nfs/dbraw/zinc/47/93/25/377479325.db2.gz BAXJMRPVHJTNQD-RDJZCZTQSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249204489 377479329 /nfs/dbraw/zinc/47/93/29/377479329.db2.gz BAXJMRPVHJTNQD-RDJZCZTQSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249204489 377479334 /nfs/dbraw/zinc/47/93/34/377479334.db2.gz BAXJMRPVHJTNQD-RDJZCZTQSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249204489 377479340 /nfs/dbraw/zinc/47/93/40/377479340.db2.gz BAXJMRPVHJTNQD-RDJZCZTQSA-N 2 2 275.440 3.024 50 0 CGAALP Cc1c[nH+]c(C2C[NH+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575555238 377917289 /nfs/dbraw/zinc/91/72/89/377917289.db2.gz YXJVNXWOEUXPSE-UHFFFAOYSA-N 2 2 299.393 3.340 50 0 CGAALP Nc1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cc[nH+]1 ZINC000072128379 176320955 /nfs/dbraw/zinc/32/09/55/176320955.db2.gz ZMZXHWBDCKAKGO-INIZCTEOSA-N 2 2 297.402 3.111 50 0 CGAALP CC(C)SCC[N@@H+]1CCCC[C@H]1CCc1[nH+]ccn1C ZINC000077451973 177270374 /nfs/dbraw/zinc/27/03/74/177270374.db2.gz JYTVOINLBYPEED-HNNXBMFYSA-N 2 2 295.496 3.349 50 0 CGAALP CC(C)SCC[N@H+]1CCCC[C@H]1CCc1[nH+]ccn1C ZINC000077451973 177270376 /nfs/dbraw/zinc/27/03/76/177270376.db2.gz JYTVOINLBYPEED-HNNXBMFYSA-N 2 2 295.496 3.349 50 0 CGAALP Cc1ccccc1[C@H](C[NH2+]C1CCSCC1)[NH+](C)C ZINC000065507567 281384817 /nfs/dbraw/zinc/38/48/17/281384817.db2.gz UOMOSADMYBYIGL-INIZCTEOSA-N 2 2 278.465 3.083 50 0 CGAALP C[N@H+](CCn1cc[nH+]c1)C[C@@]1(c2ccccc2)CC1(C)C ZINC001506427064 937990042 /nfs/dbraw/zinc/99/00/42/937990042.db2.gz WNWQFZPRSNQNAQ-GOSISDBHSA-N 2 2 283.419 3.183 50 0 CGAALP C[N@@H+](CCn1cc[nH+]c1)C[C@@]1(c2ccccc2)CC1(C)C ZINC001506427064 937990043 /nfs/dbraw/zinc/99/00/43/937990043.db2.gz WNWQFZPRSNQNAQ-GOSISDBHSA-N 2 2 283.419 3.183 50 0 CGAALP C[C@@H](c1cccc(-c2[nH+]ccn2C)c1)[NH+]1CCCC1 ZINC000096138868 185105603 /nfs/dbraw/zinc/10/56/03/185105603.db2.gz OHUWFGIMADEFNL-ZDUSSCGKSA-N 2 2 255.365 3.244 50 0 CGAALP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1F ZINC000170082917 346193636 /nfs/dbraw/zinc/19/36/36/346193636.db2.gz ABUBCQMATBOAON-YHWZYXNKSA-N 2 2 282.790 3.323 50 0 CGAALP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1F ZINC000170082917 346193640 /nfs/dbraw/zinc/19/36/40/346193640.db2.gz ABUBCQMATBOAON-YHWZYXNKSA-N 2 2 282.790 3.323 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000409421147 346605071 /nfs/dbraw/zinc/60/50/71/346605071.db2.gz PDOGVMSJWCXQFU-MRXNPFEDSA-N 2 2 284.407 3.156 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000409421147 346605075 /nfs/dbraw/zinc/60/50/75/346605075.db2.gz PDOGVMSJWCXQFU-MRXNPFEDSA-N 2 2 284.407 3.156 50 0 CGAALP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000002933157 368485201 /nfs/dbraw/zinc/48/52/01/368485201.db2.gz HRVQJBJPRHXDEA-UHFFFAOYSA-N 2 2 272.795 3.301 50 0 CGAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000022936128 368814768 /nfs/dbraw/zinc/81/47/68/368814768.db2.gz XVCWYWQVZDVTBI-AWEZNQCLSA-N 2 2 297.240 3.023 50 0 CGAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000022936128 368814773 /nfs/dbraw/zinc/81/47/73/368814773.db2.gz XVCWYWQVZDVTBI-AWEZNQCLSA-N 2 2 297.240 3.023 50 0 CGAALP CCCc1[nH+]ccn1-c1cccc(C[NH+]2CCCC2)c1 ZINC000065372049 369669506 /nfs/dbraw/zinc/66/95/06/369669506.db2.gz JRPPPNCRYLDDGM-UHFFFAOYSA-N 2 2 269.392 3.421 50 0 CGAALP COc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812827 370103499 /nfs/dbraw/zinc/10/34/99/370103499.db2.gz UENOCMMTXXMQKC-OAHLLOKOSA-N 2 2 297.402 3.024 50 0 CGAALP COc1ccccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812827 370103502 /nfs/dbraw/zinc/10/35/02/370103502.db2.gz UENOCMMTXXMQKC-OAHLLOKOSA-N 2 2 297.402 3.024 50 0 CGAALP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000093644945 370152769 /nfs/dbraw/zinc/15/27/69/370152769.db2.gz NDYDITFXUMLQSD-ZYHUDNBSSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@H+]1C ZINC000093644945 370152773 /nfs/dbraw/zinc/15/27/73/370152773.db2.gz NDYDITFXUMLQSD-ZYHUDNBSSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644945 370152779 /nfs/dbraw/zinc/15/27/79/370152779.db2.gz NDYDITFXUMLQSD-ZYHUDNBSSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644945 370152784 /nfs/dbraw/zinc/15/27/84/370152784.db2.gz NDYDITFXUMLQSD-ZYHUDNBSSA-N 2 2 286.341 3.018 50 0 CGAALP Cc1cccc([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000095421124 370188772 /nfs/dbraw/zinc/18/87/72/370188772.db2.gz XKOMLUHRMNRHFF-HNNXBMFYSA-N 2 2 292.386 3.427 50 0 CGAALP C[NH+](C)CC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000020418776 171184016 /nfs/dbraw/zinc/18/40/16/171184016.db2.gz DNAFOELKWSTDHI-UHFFFAOYSA-N 2 2 298.430 3.274 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CC(c3ccc(F)cc3)C1)C2 ZINC000097084823 281539075 /nfs/dbraw/zinc/53/90/75/281539075.db2.gz PHTQKUHGOCPZNW-WIHSUSGWSA-N 2 2 299.393 3.181 50 0 CGAALP Cc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000534661118 328344774 /nfs/dbraw/zinc/34/47/74/328344774.db2.gz AKALYDRNYDXDOI-OAHLLOKOSA-N 2 2 299.418 3.298 50 0 CGAALP C[N@H+](C1CC[NH+](CCc2ccccn2)CC1)[C@H]1C=CCCC1 ZINC000096455910 529822184 /nfs/dbraw/zinc/82/21/84/529822184.db2.gz FZQXFSXIWOBPNL-SFHVURJKSA-N 2 2 299.462 3.129 50 0 CGAALP C[N@@H+](C1CC[NH+](CCc2ccccn2)CC1)[C@H]1C=CCCC1 ZINC000096455910 529822186 /nfs/dbraw/zinc/82/21/86/529822186.db2.gz FZQXFSXIWOBPNL-SFHVURJKSA-N 2 2 299.462 3.129 50 0 CGAALP Cc1cc(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]c2ccccc12 ZINC000067804166 369730125 /nfs/dbraw/zinc/73/01/25/369730125.db2.gz FBZZMCFAAOHMLE-IBGZPJMESA-N 2 2 295.430 3.465 50 0 CGAALP Cc1cc(N2CCC[C@@]3(CC[N@H+](C)C3)C2)[nH+]c2ccccc12 ZINC000067804166 369730127 /nfs/dbraw/zinc/73/01/27/369730127.db2.gz FBZZMCFAAOHMLE-IBGZPJMESA-N 2 2 295.430 3.465 50 0 CGAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccn1)CCC2 ZINC000089725144 370046115 /nfs/dbraw/zinc/04/61/15/370046115.db2.gz UJLRHHAAAZYBIS-AWEZNQCLSA-N 2 2 298.434 3.243 50 0 CGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000095355828 370177427 /nfs/dbraw/zinc/17/74/27/370177427.db2.gz FMRDYLFWDGOUGI-CYBMUJFWSA-N 2 2 290.436 3.300 50 0 CGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000095355828 370177430 /nfs/dbraw/zinc/17/74/30/370177430.db2.gz FMRDYLFWDGOUGI-CYBMUJFWSA-N 2 2 290.436 3.300 50 0 CGAALP CC(C)n1cc[nH+]c1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095357518 370177611 /nfs/dbraw/zinc/17/76/11/370177611.db2.gz ODUDVFHMMHFZRC-CQSZACIVSA-N 2 2 270.380 3.243 50 0 CGAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000095404881 370184015 /nfs/dbraw/zinc/18/40/15/370184015.db2.gz TUXWFUHJQUWAQX-INIZCTEOSA-N 2 2 298.430 3.422 50 0 CGAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000095404881 370184019 /nfs/dbraw/zinc/18/40/19/370184019.db2.gz TUXWFUHJQUWAQX-INIZCTEOSA-N 2 2 298.430 3.422 50 0 CGAALP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000583651236 378338500 /nfs/dbraw/zinc/33/85/00/378338500.db2.gz JFBZDNNDPASLQZ-VLIAUNLRSA-N 2 2 298.367 3.245 50 0 CGAALP C[NH+](C)C[C@@H]1CC[N@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670452576 543155203 /nfs/dbraw/zinc/15/52/03/543155203.db2.gz DRIMRVIQCWDBBS-LBPRGKRZSA-N 2 2 291.826 3.205 50 0 CGAALP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670452576 543155206 /nfs/dbraw/zinc/15/52/06/543155206.db2.gz DRIMRVIQCWDBBS-LBPRGKRZSA-N 2 2 291.826 3.205 50 0 CGAALP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084284636 566881747 /nfs/dbraw/zinc/88/17/47/566881747.db2.gz XOEFIJSHGOGLDN-OAHLLOKOSA-N 2 2 298.434 3.243 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC001506416356 937989751 /nfs/dbraw/zinc/98/97/51/937989751.db2.gz ATPVIFNLIQGFTO-GFCCVEGCSA-N 2 2 263.410 3.028 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001506416356 937989752 /nfs/dbraw/zinc/98/97/52/937989752.db2.gz ATPVIFNLIQGFTO-GFCCVEGCSA-N 2 2 263.410 3.028 50 0 CGAALP C[C@H]([NH2+]C/C=C\c1ccccn1)[C@H](c1ccccc1)[NH+](C)C ZINC000606444478 348184470 /nfs/dbraw/zinc/18/44/70/348184470.db2.gz VKOHGPOPNOWCOS-KTCXJQQJSA-N 2 2 295.430 3.376 50 0 CGAALP c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000022913532 368814496 /nfs/dbraw/zinc/81/44/96/368814496.db2.gz BHEXKVGLZMEJRQ-GOSISDBHSA-N 2 2 266.388 3.051 50 0 CGAALP c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000022913532 368814504 /nfs/dbraw/zinc/81/45/04/368814504.db2.gz BHEXKVGLZMEJRQ-GOSISDBHSA-N 2 2 266.388 3.051 50 0 CGAALP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000089895758 370050952 /nfs/dbraw/zinc/05/09/52/370050952.db2.gz HUHSPNAWPQXJHW-RDJZCZTQSA-N 2 2 283.419 3.371 50 0 CGAALP C[N@@H+](Cc1c[nH+]c(CC2CCCC2)[nH]1)CC1CCOCC1 ZINC000097099217 370224450 /nfs/dbraw/zinc/22/44/50/370224450.db2.gz LUCZCBJEVOOWBI-UHFFFAOYSA-N 2 2 291.439 3.001 50 0 CGAALP C[N@H+](Cc1c[nH+]c(CC2CCCC2)[nH]1)CC1CCOCC1 ZINC000097099217 370224455 /nfs/dbraw/zinc/22/44/55/370224455.db2.gz LUCZCBJEVOOWBI-UHFFFAOYSA-N 2 2 291.439 3.001 50 0 CGAALP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)o1 ZINC000095421128 370187809 /nfs/dbraw/zinc/18/78/09/370187809.db2.gz BACGQCABBWHIAE-ZDUSSCGKSA-N 2 2 296.374 3.274 50 0 CGAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000215194800 376146877 /nfs/dbraw/zinc/14/68/77/376146877.db2.gz IRUBIADEWKNUCS-KRWDZBQOSA-N 2 2 283.419 3.498 50 0 CGAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000215194800 376146884 /nfs/dbraw/zinc/14/68/84/376146884.db2.gz IRUBIADEWKNUCS-KRWDZBQOSA-N 2 2 283.419 3.498 50 0 CGAALP C[C@H]([NH2+][C@@H]1C[C@@H]2CC=C[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000229977339 376480576 /nfs/dbraw/zinc/48/05/76/376480576.db2.gz GGYDZHXFRUGJTK-OXXUSNJHSA-N 2 2 279.387 3.488 50 0 CGAALP Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)s1 ZINC000097155927 392260034 /nfs/dbraw/zinc/26/00/34/392260034.db2.gz BYOOBDCJTQSZQQ-AWEZNQCLSA-N 2 2 275.421 3.165 50 0 CGAALP Cc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)s1 ZINC000097155927 392260038 /nfs/dbraw/zinc/26/00/38/392260038.db2.gz BYOOBDCJTQSZQQ-AWEZNQCLSA-N 2 2 275.421 3.165 50 0 CGAALP c1ccc(C[NH+]2CCC3(CNc4[nH+]cccc43)CC2)cc1 ZINC000148221905 285474312 /nfs/dbraw/zinc/47/43/12/285474312.db2.gz VUZVTRCSZJXZQL-UHFFFAOYSA-N 2 2 279.387 3.041 50 0 CGAALP CCC[NH+](CCC)[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000020601721 275997072 /nfs/dbraw/zinc/99/70/72/275997072.db2.gz ATMBCSVZLRKMLJ-HNNXBMFYSA-N 2 2 291.439 3.456 50 0 CGAALP Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]c2ccccc12 ZINC000315102075 932030153 /nfs/dbraw/zinc/03/01/53/932030153.db2.gz MLSUZTBZYOVRHH-AWEZNQCLSA-N 2 2 281.403 3.439 50 0 CGAALP Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]c2ccccc12 ZINC000315102075 932030161 /nfs/dbraw/zinc/03/01/61/932030161.db2.gz MLSUZTBZYOVRHH-AWEZNQCLSA-N 2 2 281.403 3.439 50 0 CGAALP Cn1cc[nH+]c1CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC001506405463 937989606 /nfs/dbraw/zinc/98/96/06/937989606.db2.gz MKHQBPNONKDLID-UHFFFAOYSA-N 2 2 297.324 3.113 50 0 CGAALP Cn1cc[nH+]c1CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC001506405463 937989607 /nfs/dbraw/zinc/98/96/07/937989607.db2.gz MKHQBPNONKDLID-UHFFFAOYSA-N 2 2 297.324 3.113 50 0 CGAALP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000033998020 344937339 /nfs/dbraw/zinc/93/73/39/344937339.db2.gz GRKYRJREJPZXIU-UHFFFAOYSA-N 2 2 277.799 3.452 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090847432 345796046 /nfs/dbraw/zinc/79/60/46/345796046.db2.gz DXXPTCUXRWWWOT-ZDUSSCGKSA-N 2 2 284.359 3.012 50 0 CGAALP C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058280736 369561420 /nfs/dbraw/zinc/56/14/20/369561420.db2.gz PAZPKJIKIKVPPM-AWEZNQCLSA-N 2 2 293.370 3.429 50 0 CGAALP Clc1cccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000065372721 369669639 /nfs/dbraw/zinc/66/96/39/369669639.db2.gz JNLKKOQNPSADFI-HNNXBMFYSA-N 2 2 289.810 3.449 50 0 CGAALP Clc1cccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000065372721 369669646 /nfs/dbraw/zinc/66/96/46/369669646.db2.gz JNLKKOQNPSADFI-HNNXBMFYSA-N 2 2 289.810 3.449 50 0 CGAALP CCCc1nc(NCc2[nH+]ccn2C(C)C)cc(C)[nH+]1 ZINC000065425245 369675144 /nfs/dbraw/zinc/67/51/44/369675144.db2.gz FNPIGEHGIDDCAY-UHFFFAOYSA-N 2 2 273.384 3.127 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000670453119 543155149 /nfs/dbraw/zinc/15/51/49/543155149.db2.gz QKJBITIAFTWOTB-CQSZACIVSA-N 2 2 261.413 3.100 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000670453119 543155152 /nfs/dbraw/zinc/15/51/52/543155152.db2.gz QKJBITIAFTWOTB-CQSZACIVSA-N 2 2 261.413 3.100 50 0 CGAALP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000020506294 171228944 /nfs/dbraw/zinc/22/89/44/171228944.db2.gz FATUZTRIKCMCHK-GFCCVEGCSA-N 2 2 263.772 3.277 50 0 CGAALP CC[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1ccccn1 ZINC000534589093 328317370 /nfs/dbraw/zinc/31/73/70/328317370.db2.gz IMXALGAWDATVSU-KRWDZBQOSA-N 2 2 299.418 3.380 50 0 CGAALP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000095967090 185047191 /nfs/dbraw/zinc/04/71/91/185047191.db2.gz TWIQUFXFAIDANK-DLBZAZTESA-N 2 2 287.382 3.338 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000090847433 345796257 /nfs/dbraw/zinc/79/62/57/345796257.db2.gz DXXPTCUXRWWWOT-CYBMUJFWSA-N 2 2 284.359 3.012 50 0 CGAALP Cc1[nH]c2c(cccc2C[NH+]2C[C@H]3CC[C@H](C[N@H+]3C)C2)c1C ZINC000091325608 180135324 /nfs/dbraw/zinc/13/53/24/180135324.db2.gz ZDQLFDFIGUASRS-NVXWUHKLSA-N 2 2 297.446 3.311 50 0 CGAALP Cc1[nH]c2c(cccc2C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3C)C2)c1C ZINC000091325608 180135326 /nfs/dbraw/zinc/13/53/26/180135326.db2.gz ZDQLFDFIGUASRS-NVXWUHKLSA-N 2 2 297.446 3.311 50 0 CGAALP Cc1[nH]c2c(cccc2C[N@H+]2C[C@H]3CC[C@H](C[NH+]3C)C2)c1C ZINC000091325608 180135328 /nfs/dbraw/zinc/13/53/28/180135328.db2.gz ZDQLFDFIGUASRS-NVXWUHKLSA-N 2 2 297.446 3.311 50 0 CGAALP Cc1[nH]c2c(cccc2C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3C)C2)c1C ZINC000091325608 180135329 /nfs/dbraw/zinc/13/53/29/180135329.db2.gz ZDQLFDFIGUASRS-NVXWUHKLSA-N 2 2 297.446 3.311 50 0 CGAALP C[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000000212777 368317384 /nfs/dbraw/zinc/31/73/84/368317384.db2.gz QFNPEKMJMDGYJW-UHFFFAOYSA-N 2 2 278.399 3.440 50 0 CGAALP CC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055107528 369511008 /nfs/dbraw/zinc/51/10/08/369511008.db2.gz ARFIAIXIJQNCSY-ZWKOTPCHSA-N 2 2 287.451 3.168 50 0 CGAALP CC[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055107528 369511015 /nfs/dbraw/zinc/51/10/15/369511015.db2.gz ARFIAIXIJQNCSY-ZWKOTPCHSA-N 2 2 287.451 3.168 50 0 CGAALP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055107528 369511017 /nfs/dbraw/zinc/51/10/17/369511017.db2.gz ARFIAIXIJQNCSY-ZWKOTPCHSA-N 2 2 287.451 3.168 50 0 CGAALP CC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055107528 369511022 /nfs/dbraw/zinc/51/10/22/369511022.db2.gz ARFIAIXIJQNCSY-ZWKOTPCHSA-N 2 2 287.451 3.168 50 0 CGAALP CC(C)c1[nH+]ccn1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065408086 369674452 /nfs/dbraw/zinc/67/44/52/369674452.db2.gz ZBCPWTVHIHAYDX-UHFFFAOYSA-N 2 2 266.348 3.241 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]12 ZINC000071771844 369810496 /nfs/dbraw/zinc/81/04/96/369810496.db2.gz XFHQYXRJUICKLQ-IRXDYDNUSA-N 2 2 286.419 3.034 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]12 ZINC000071771844 369810503 /nfs/dbraw/zinc/81/05/03/369810503.db2.gz XFHQYXRJUICKLQ-IRXDYDNUSA-N 2 2 286.419 3.034 50 0 CGAALP Cc1[nH]c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000097553371 370245103 /nfs/dbraw/zinc/24/51/03/370245103.db2.gz QKWWQGQPBFUCCH-HNNXBMFYSA-N 2 2 255.365 3.098 50 0 CGAALP Cc1[nH]c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000097553371 370245110 /nfs/dbraw/zinc/24/51/10/370245110.db2.gz QKWWQGQPBFUCCH-HNNXBMFYSA-N 2 2 255.365 3.098 50 0 CGAALP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000426399289 372157276 /nfs/dbraw/zinc/15/72/76/372157276.db2.gz VSGJWCVOOVDFNO-WMLDXEAASA-N 2 2 282.387 3.049 50 0 CGAALP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000426399289 372157285 /nfs/dbraw/zinc/15/72/85/372157285.db2.gz VSGJWCVOOVDFNO-WMLDXEAASA-N 2 2 282.387 3.049 50 0 CGAALP COCC[C@H](C)[NH2+]CCCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000534585530 328315228 /nfs/dbraw/zinc/31/52/28/328315228.db2.gz LYNKHXHJIGDNPB-ZDUSSCGKSA-N 2 2 289.423 3.127 50 0 CGAALP COCC[C@H](C)[NH2+]CCCc1[nH]c2c(ccc(C)c2C)[nH+]1 ZINC000534585530 328315229 /nfs/dbraw/zinc/31/52/29/328315229.db2.gz LYNKHXHJIGDNPB-ZDUSSCGKSA-N 2 2 289.423 3.127 50 0 CGAALP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000002734478 368474327 /nfs/dbraw/zinc/47/43/27/368474327.db2.gz YOKWTXMBGXEVRX-HZPDHXFCSA-N 2 2 287.451 3.024 50 0 CGAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1Cc2ccccc2C1 ZINC000037156797 369073030 /nfs/dbraw/zinc/07/30/30/369073030.db2.gz IQMJACVRPBEKJS-QGZVFWFLSA-N 2 2 283.419 3.055 50 0 CGAALP C(=C/c1ccccc1)\C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000065592264 369684297 /nfs/dbraw/zinc/68/42/97/369684297.db2.gz CGCSKQDXZWMWNG-RMKNXTFCSA-N 2 2 270.420 3.260 50 0 CGAALP COc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072478103 369822887 /nfs/dbraw/zinc/82/28/87/369822887.db2.gz RUSDFLOLONPXRP-INIZCTEOSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072478103 369822890 /nfs/dbraw/zinc/82/28/90/369822890.db2.gz RUSDFLOLONPXRP-INIZCTEOSA-N 2 2 294.414 3.141 50 0 CGAALP Fc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000080959020 369991893 /nfs/dbraw/zinc/99/18/93/369991893.db2.gz FPHKTZPBGCNIBV-LBPRGKRZSA-N 2 2 277.318 3.068 50 0 CGAALP Fc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000080959020 369991897 /nfs/dbraw/zinc/99/18/97/369991897.db2.gz FPHKTZPBGCNIBV-LBPRGKRZSA-N 2 2 277.318 3.068 50 0 CGAALP CCC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850580 375796378 /nfs/dbraw/zinc/79/63/78/375796378.db2.gz BAXJMRPVHJTNQD-DOTOQJQBSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192850580 375796383 /nfs/dbraw/zinc/79/63/83/375796383.db2.gz BAXJMRPVHJTNQD-DOTOQJQBSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192850580 375796390 /nfs/dbraw/zinc/79/63/90/375796390.db2.gz BAXJMRPVHJTNQD-DOTOQJQBSA-N 2 2 275.440 3.024 50 0 CGAALP CCC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192850580 375796394 /nfs/dbraw/zinc/79/63/94/375796394.db2.gz BAXJMRPVHJTNQD-DOTOQJQBSA-N 2 2 275.440 3.024 50 0 CGAALP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2[nH]1 ZINC000216299432 376161967 /nfs/dbraw/zinc/16/19/67/376161967.db2.gz ABVGKKCBKHSMDW-UHFFFAOYSA-N 2 2 271.408 3.086 50 0 CGAALP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2[nH]1 ZINC000216299432 376161971 /nfs/dbraw/zinc/16/19/71/376161971.db2.gz ABVGKKCBKHSMDW-UHFFFAOYSA-N 2 2 271.408 3.086 50 0 CGAALP CC[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000230136413 279258698 /nfs/dbraw/zinc/25/86/98/279258698.db2.gz MCSMIHDZYAGZDX-GDBMZVCRSA-N 2 2 250.430 3.125 50 0 CGAALP CC[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000230136413 279258699 /nfs/dbraw/zinc/25/86/99/279258699.db2.gz MCSMIHDZYAGZDX-GDBMZVCRSA-N 2 2 250.430 3.125 50 0 CGAALP C[N@@H+]1CC[C@@](C)(C[NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000952963020 616347296 /nfs/dbraw/zinc/34/72/96/616347296.db2.gz HBCWEVCHUPOWEA-INIZCTEOSA-N 2 2 291.826 3.253 50 0 CGAALP C[N@H+]1CC[C@@](C)(C[NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000952963020 616347299 /nfs/dbraw/zinc/34/72/99/616347299.db2.gz HBCWEVCHUPOWEA-INIZCTEOSA-N 2 2 291.826 3.253 50 0 CGAALP Cc1ccc(OC[C@@H]2CCC[N@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC001529186468 938071627 /nfs/dbraw/zinc/07/16/27/938071627.db2.gz FWUYOPRJHIVUNC-MRXNPFEDSA-N 2 2 299.418 3.052 50 0 CGAALP Cc1ccc(OC[C@@H]2CCC[N@@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC001529186468 938071628 /nfs/dbraw/zinc/07/16/28/938071628.db2.gz FWUYOPRJHIVUNC-MRXNPFEDSA-N 2 2 299.418 3.052 50 0 CGAALP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC000095644170 185017192 /nfs/dbraw/zinc/01/71/92/185017192.db2.gz SYMQBAASXLKRNK-UHFFFAOYSA-N 2 2 278.399 3.071 50 0 CGAALP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000089725151 345773826 /nfs/dbraw/zinc/77/38/26/345773826.db2.gz JZWZTZAIRSISJZ-OAHLLOKOSA-N 2 2 298.434 3.243 50 0 CGAALP c1cn(C[C@@H]2CCC[N@@H+]2Cc2coc3ccccc23)c[nH+]1 ZINC000188401618 346262031 /nfs/dbraw/zinc/26/20/31/346262031.db2.gz QLGBKBAQZLCVCL-HNNXBMFYSA-N 2 2 281.359 3.294 50 0 CGAALP c1cn(C[C@@H]2CCC[N@H+]2Cc2coc3ccccc23)c[nH+]1 ZINC000188401618 346262033 /nfs/dbraw/zinc/26/20/33/346262033.db2.gz QLGBKBAQZLCVCL-HNNXBMFYSA-N 2 2 281.359 3.294 50 0 CGAALP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182784395 189334819 /nfs/dbraw/zinc/33/48/19/189334819.db2.gz JEQRKGAZQHWRDD-NVXWUHKLSA-N 2 2 269.392 3.151 50 0 CGAALP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182784395 189334820 /nfs/dbraw/zinc/33/48/20/189334820.db2.gz JEQRKGAZQHWRDD-NVXWUHKLSA-N 2 2 269.392 3.151 50 0 CGAALP Cc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+](C)C)o1 ZINC000000189120 368311788 /nfs/dbraw/zinc/31/17/88/368311788.db2.gz PBZSUMHSQXCFGJ-UHFFFAOYSA-N 2 2 298.390 3.111 50 0 CGAALP CSc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000000858473 368395887 /nfs/dbraw/zinc/39/58/87/368395887.db2.gz DKWHOKJRTAEEJX-UHFFFAOYSA-N 2 2 290.476 3.469 50 0 CGAALP C[NH+](C)CC(C)(C)Cn1cc[nH+]c1-c1ccsc1 ZINC000067841223 369732046 /nfs/dbraw/zinc/73/20/46/369732046.db2.gz BGLSYRCZQBGPIW-UHFFFAOYSA-N 2 2 263.410 3.199 50 0 CGAALP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(Cl)nc1 ZINC000083860806 370009675 /nfs/dbraw/zinc/00/96/75/370009675.db2.gz IIXCOHDOASLMQK-UHFFFAOYSA-N 2 2 281.831 3.043 50 0 CGAALP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(Cl)nc1 ZINC000083860806 370009677 /nfs/dbraw/zinc/00/96/77/370009677.db2.gz IIXCOHDOASLMQK-UHFFFAOYSA-N 2 2 281.831 3.043 50 0 CGAALP c1cn(CCC[NH2+][C@@H]2CCCSc3ccccc32)c[nH+]1 ZINC000095419074 370186703 /nfs/dbraw/zinc/18/67/03/370186703.db2.gz DQHNAZQREVFEON-OAHLLOKOSA-N 2 2 287.432 3.490 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]12 ZINC000101363530 370288884 /nfs/dbraw/zinc/28/88/84/370288884.db2.gz XFHQYXRJUICKLQ-DLBZAZTESA-N 2 2 286.419 3.034 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]12 ZINC000101363530 370288890 /nfs/dbraw/zinc/28/88/90/370288890.db2.gz XFHQYXRJUICKLQ-DLBZAZTESA-N 2 2 286.419 3.034 50 0 CGAALP CCCc1[nH]cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[nH+]1 ZINC000426734009 372171315 /nfs/dbraw/zinc/17/13/15/372171315.db2.gz MBJUARGQFICQHG-CQSZACIVSA-N 2 2 299.418 3.422 50 0 CGAALP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000170088204 372634312 /nfs/dbraw/zinc/63/43/12/372634312.db2.gz CNYLBGQCNMPGAD-YOEHRIQHSA-N 2 2 285.391 3.092 50 0 CGAALP Cc1c[nH+]c(C2C[NH+]([C@H](C)C(C)C)C2)n1Cc1cccnc1 ZINC000575555155 377917356 /nfs/dbraw/zinc/91/73/56/377917356.db2.gz WVEWEFSBIFFLEF-OAHLLOKOSA-N 2 2 298.434 3.079 50 0 CGAALP Fc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000004745809 170010568 /nfs/dbraw/zinc/01/05/68/170010568.db2.gz XRGPFLGAOBKDOU-UHFFFAOYSA-N 2 2 276.399 3.276 50 0 CGAALP CC(C)SCC[N@@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077451970 177270201 /nfs/dbraw/zinc/27/02/01/177270201.db2.gz JYTVOINLBYPEED-OAHLLOKOSA-N 2 2 295.496 3.349 50 0 CGAALP CC(C)SCC[N@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077451970 177270203 /nfs/dbraw/zinc/27/02/03/177270203.db2.gz JYTVOINLBYPEED-OAHLLOKOSA-N 2 2 295.496 3.349 50 0 CGAALP C[N@@H+]1CCC2(C1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000065370938 277035438 /nfs/dbraw/zinc/03/54/38/277035438.db2.gz OUCOHTNFJHSYIE-UHFFFAOYSA-N 2 2 281.403 3.157 50 0 CGAALP C[N@H+]1CCC2(C1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000065370938 277035439 /nfs/dbraw/zinc/03/54/39/277035439.db2.gz OUCOHTNFJHSYIE-UHFFFAOYSA-N 2 2 281.403 3.157 50 0 CGAALP Cc1cccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000534661116 328344156 /nfs/dbraw/zinc/34/41/56/328344156.db2.gz AKALYDRNYDXDOI-HNNXBMFYSA-N 2 2 299.418 3.298 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[N@H+](C)Cc1sccc1C ZINC001506429081 937990018 /nfs/dbraw/zinc/99/00/18/937990018.db2.gz UYUDHBFRURSVQC-ZDUSSCGKSA-N 2 2 277.437 3.336 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+](C)Cc1sccc1C ZINC001506429081 937990019 /nfs/dbraw/zinc/99/00/19/937990019.db2.gz UYUDHBFRURSVQC-ZDUSSCGKSA-N 2 2 277.437 3.336 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1nccs1 ZINC000192052428 346267316 /nfs/dbraw/zinc/26/73/16/346267316.db2.gz VXDUANWUKBQJFA-UHFFFAOYSA-N 2 2 298.415 3.269 50 0 CGAALP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1nccs1 ZINC000192052428 346267319 /nfs/dbraw/zinc/26/73/19/346267319.db2.gz VXDUANWUKBQJFA-UHFFFAOYSA-N 2 2 298.415 3.269 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000584898634 346722972 /nfs/dbraw/zinc/72/29/72/346722972.db2.gz XOEXLBWPELRNRB-MRXNPFEDSA-N 2 2 283.419 3.373 50 0 CGAALP C[C@H]([NH2+][C@@H]1C[C@@H]2CC=C[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000013100738 368642514 /nfs/dbraw/zinc/64/25/14/368642514.db2.gz GGYDZHXFRUGJTK-QXRTWZOPSA-N 2 2 279.387 3.488 50 0 CGAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2c1CCCC2 ZINC000067472635 369717563 /nfs/dbraw/zinc/71/75/63/369717563.db2.gz LQKDXHHYFXFWKN-LBPRGKRZSA-N 2 2 275.421 3.002 50 0 CGAALP CCc1[nH]c(C[N@@H+]2CCC[C@H]2c2ccccn2)c(C)[nH+]1 ZINC000067967081 369737312 /nfs/dbraw/zinc/73/73/12/369737312.db2.gz NUNXTIWXTRRPLQ-HNNXBMFYSA-N 2 2 270.380 3.013 50 0 CGAALP CCc1[nH]c(C[N@H+]2CCC[C@H]2c2ccccn2)c(C)[nH+]1 ZINC000067967081 369737317 /nfs/dbraw/zinc/73/73/17/369737317.db2.gz NUNXTIWXTRRPLQ-HNNXBMFYSA-N 2 2 270.380 3.013 50 0 CGAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000090004135 370053573 /nfs/dbraw/zinc/05/35/73/370053573.db2.gz PWWYTHCXXKBHQX-OAHLLOKOSA-N 2 2 287.382 3.014 50 0 CGAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000090004135 370053575 /nfs/dbraw/zinc/05/35/75/370053575.db2.gz PWWYTHCXXKBHQX-OAHLLOKOSA-N 2 2 287.382 3.014 50 0 CGAALP Cc1[nH]c(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)c[nH+]1 ZINC000216425228 376162642 /nfs/dbraw/zinc/16/26/42/376162642.db2.gz GCWUFCPSZXVWTH-QGZVFWFLSA-N 2 2 299.418 3.411 50 0 CGAALP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000253369871 377687074 /nfs/dbraw/zinc/68/70/74/377687074.db2.gz JGJFVNHVMBJDEL-CRAIPNDOSA-N 2 2 299.418 3.044 50 0 CGAALP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000253369871 377687086 /nfs/dbraw/zinc/68/70/86/377687086.db2.gz JGJFVNHVMBJDEL-CRAIPNDOSA-N 2 2 299.418 3.044 50 0 CGAALP Cc1c[nH+]c(C2C[NH+]([C@@H](C)C(C)C)C2)n1Cc1cccnc1 ZINC000575555150 377917394 /nfs/dbraw/zinc/91/73/94/377917394.db2.gz WVEWEFSBIFFLEF-HNNXBMFYSA-N 2 2 298.434 3.079 50 0 CGAALP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000583651235 378338305 /nfs/dbraw/zinc/33/83/05/378338305.db2.gz JFBZDNNDPASLQZ-VBKZILBWSA-N 2 2 298.367 3.245 50 0 CGAALP CC1(C)Cc2occc2[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000096476313 392256490 /nfs/dbraw/zinc/25/64/90/392256490.db2.gz NRNBSNRYJDYEHR-AWEZNQCLSA-N 2 2 273.380 3.170 50 0 CGAALP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000375001245 392726790 /nfs/dbraw/zinc/72/67/90/392726790.db2.gz ALNQWSOEZMHOLS-KRWDZBQOSA-N 2 2 283.419 3.399 50 0 CGAALP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000375001245 392726793 /nfs/dbraw/zinc/72/67/93/392726793.db2.gz ALNQWSOEZMHOLS-KRWDZBQOSA-N 2 2 283.419 3.399 50 0 CGAALP CC[C@H]1CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670467084 543156532 /nfs/dbraw/zinc/15/65/32/543156532.db2.gz LNNUZHVMHMZBMF-INIZCTEOSA-N 2 2 299.418 3.194 50 0 CGAALP CC[C@H]1CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670467084 543156534 /nfs/dbraw/zinc/15/65/34/543156534.db2.gz LNNUZHVMHMZBMF-INIZCTEOSA-N 2 2 299.418 3.194 50 0 CGAALP C[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCCC1 ZINC000022045040 171350835 /nfs/dbraw/zinc/35/08/35/171350835.db2.gz HCARPNGFUIAUHZ-MRXNPFEDSA-N 2 2 260.425 3.083 50 0 CGAALP Clc1cc(Cl)cc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000037423606 173199560 /nfs/dbraw/zinc/19/95/60/173199560.db2.gz RNAWFIUOMITIAJ-UHFFFAOYSA-N 2 2 273.207 3.179 50 0 CGAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958804 345691780 /nfs/dbraw/zinc/69/17/80/345691780.db2.gz XOBYDWIVLAOFQX-HNNXBMFYSA-N 2 2 255.365 3.098 50 0 CGAALP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958804 345691782 /nfs/dbraw/zinc/69/17/82/345691782.db2.gz XOBYDWIVLAOFQX-HNNXBMFYSA-N 2 2 255.365 3.098 50 0 CGAALP CC[NH+]1CCC([N@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000213428 368316756 /nfs/dbraw/zinc/31/67/56/368316756.db2.gz BQUPGDKEBUONLI-UHFFFAOYSA-N 2 2 288.410 3.399 50 0 CGAALP CC[NH+]1CCC([N@@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000213428 368316773 /nfs/dbraw/zinc/31/67/73/368316773.db2.gz BQUPGDKEBUONLI-UHFFFAOYSA-N 2 2 288.410 3.399 50 0 CGAALP C[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000000241257 368323370 /nfs/dbraw/zinc/32/33/70/368323370.db2.gz RBKXSQDIZQPLCD-UHFFFAOYSA-N 2 2 286.341 3.231 50 0 CGAALP C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000000241257 368323373 /nfs/dbraw/zinc/32/33/73/368323373.db2.gz RBKXSQDIZQPLCD-UHFFFAOYSA-N 2 2 286.341 3.231 50 0 CGAALP C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000000757004 368393773 /nfs/dbraw/zinc/39/37/73/368393773.db2.gz JPSXXXILQMECER-UHFFFAOYSA-N 2 2 273.207 3.177 50 0 CGAALP Cc1ncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000069561850 369763632 /nfs/dbraw/zinc/76/36/32/369763632.db2.gz OVGXRTQBIUUZCX-UHFFFAOYSA-N 2 2 298.415 3.269 50 0 CGAALP Cc1ncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000069561850 369763636 /nfs/dbraw/zinc/76/36/36/369763636.db2.gz OVGXRTQBIUUZCX-UHFFFAOYSA-N 2 2 298.415 3.269 50 0 CGAALP C[N@@H+]1CCC[C@@H]1CCn1cc[nH+]c1C1CCCCC1 ZINC000067954939 369736706 /nfs/dbraw/zinc/73/67/06/369736706.db2.gz XSWCFUAPNRYTKN-OAHLLOKOSA-N 2 2 261.413 3.415 50 0 CGAALP C[N@H+]1CCC[C@@H]1CCn1cc[nH+]c1C1CCCCC1 ZINC000067954939 369736711 /nfs/dbraw/zinc/73/67/11/369736711.db2.gz XSWCFUAPNRYTKN-OAHLLOKOSA-N 2 2 261.413 3.415 50 0 CGAALP FC(F)(F)c1cc[nH+]c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000072480352 369822735 /nfs/dbraw/zinc/82/27/35/369822735.db2.gz JDXSIQCUHDJSSY-UHFFFAOYSA-N 2 2 296.296 3.208 50 0 CGAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000082134300 369999419 /nfs/dbraw/zinc/99/94/19/369999419.db2.gz XXKFVSLAQMJUQF-HNNXBMFYSA-N 2 2 261.413 3.180 50 0 CGAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000082134300 369999424 /nfs/dbraw/zinc/99/94/24/369999424.db2.gz XXKFVSLAQMJUQF-HNNXBMFYSA-N 2 2 261.413 3.180 50 0 CGAALP COc1ccccc1C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000083877897 370009422 /nfs/dbraw/zinc/00/94/22/370009422.db2.gz ABDCZYLRRPPCCH-MRXNPFEDSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000083877897 370009426 /nfs/dbraw/zinc/00/94/26/370009426.db2.gz ABDCZYLRRPPCCH-MRXNPFEDSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000083877897 370009430 /nfs/dbraw/zinc/00/94/30/370009430.db2.gz ABDCZYLRRPPCCH-MRXNPFEDSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000083877897 370009436 /nfs/dbraw/zinc/00/94/36/370009436.db2.gz ABDCZYLRRPPCCH-MRXNPFEDSA-N 2 2 288.435 3.144 50 0 CGAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000095381045 370181259 /nfs/dbraw/zinc/18/12/59/370181259.db2.gz HKPIHTCIJXYIDZ-INIZCTEOSA-N 2 2 298.434 3.458 50 0 CGAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000095381045 370181263 /nfs/dbraw/zinc/18/12/63/370181263.db2.gz HKPIHTCIJXYIDZ-INIZCTEOSA-N 2 2 298.434 3.458 50 0 CGAALP C[C@@H]([NH2+]CCC[NH+]1CCCCCC1)c1ccc(F)cn1 ZINC000092720535 541977503 /nfs/dbraw/zinc/97/75/03/541977503.db2.gz ZIRYKBVAMHGWKM-CQSZACIVSA-N 2 2 279.403 3.137 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000670453118 543155862 /nfs/dbraw/zinc/15/58/62/543155862.db2.gz QKJBITIAFTWOTB-AWEZNQCLSA-N 2 2 261.413 3.100 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000670453118 543155863 /nfs/dbraw/zinc/15/58/63/543155863.db2.gz QKJBITIAFTWOTB-AWEZNQCLSA-N 2 2 261.413 3.100 50 0 CGAALP COc1ccccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000035287274 172105306 /nfs/dbraw/zinc/10/53/06/172105306.db2.gz CTAHMZNTPCBMFC-UHFFFAOYSA-N 2 2 295.386 3.294 50 0 CGAALP CCc1ccc(-c2[nH+]ccn2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000071748756 176259497 /nfs/dbraw/zinc/25/94/97/176259497.db2.gz XPDKCFWOSPUNBD-MRXNPFEDSA-N 2 2 283.419 3.454 50 0 CGAALP CCc1ccc(-c2[nH+]ccn2C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000071748756 176259498 /nfs/dbraw/zinc/25/94/98/176259498.db2.gz XPDKCFWOSPUNBD-MRXNPFEDSA-N 2 2 283.419 3.454 50 0 CGAALP C[C@H](CC[N@@H+]1CCCn2c[nH+]cc2C1)c1ccccc1 ZINC000072143774 176324309 /nfs/dbraw/zinc/32/43/09/176324309.db2.gz HNTCWAOUWAITFS-OAHLLOKOSA-N 2 2 269.392 3.283 50 0 CGAALP C[C@H](CC[N@H+]1CCCn2c[nH+]cc2C1)c1ccccc1 ZINC000072143774 176324311 /nfs/dbraw/zinc/32/43/11/176324311.db2.gz HNTCWAOUWAITFS-OAHLLOKOSA-N 2 2 269.392 3.283 50 0 CGAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000584898633 346723132 /nfs/dbraw/zinc/72/31/32/346723132.db2.gz XOEXLBWPELRNRB-INIZCTEOSA-N 2 2 283.419 3.373 50 0 CGAALP CC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000757802 368395130 /nfs/dbraw/zinc/39/51/30/368395130.db2.gz FEAKYVSJILFUDP-UHFFFAOYSA-N 2 2 286.341 3.279 50 0 CGAALP Fc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000032735843 368942801 /nfs/dbraw/zinc/94/28/01/368942801.db2.gz WGTMYFXJWGTKKO-UHFFFAOYSA-N 2 2 281.334 3.301 50 0 CGAALP C[NH2+]C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1C ZINC000051860103 369456022 /nfs/dbraw/zinc/45/60/22/369456022.db2.gz LAUKWGHNEQLETA-IBGZPJMESA-N 2 2 280.415 3.141 50 0 CGAALP C[NH2+]C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1C ZINC000051860103 369456030 /nfs/dbraw/zinc/45/60/30/369456030.db2.gz LAUKWGHNEQLETA-IBGZPJMESA-N 2 2 280.415 3.141 50 0 CGAALP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCOCC1 ZINC000067850450 369733071 /nfs/dbraw/zinc/73/30/71/369733071.db2.gz RTADAZMODUHWMD-UHFFFAOYSA-N 2 2 299.418 3.121 50 0 CGAALP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCOCC1 ZINC000067850450 369733075 /nfs/dbraw/zinc/73/30/75/369733075.db2.gz RTADAZMODUHWMD-UHFFFAOYSA-N 2 2 299.418 3.121 50 0 CGAALP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)ccc1F ZINC000072427400 369819445 /nfs/dbraw/zinc/81/94/45/369819445.db2.gz SPERMWRDDNCIPI-HNNXBMFYSA-N 2 2 294.414 3.141 50 0 CGAALP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)ccc1F ZINC000072427400 369819448 /nfs/dbraw/zinc/81/94/48/369819448.db2.gz SPERMWRDDNCIPI-HNNXBMFYSA-N 2 2 294.414 3.141 50 0 CGAALP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(F)c(F)c1 ZINC000084647928 370013190 /nfs/dbraw/zinc/01/31/90/370013190.db2.gz MVJVMJQOCPVTML-YPMHNXCESA-N 2 2 291.345 3.390 50 0 CGAALP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(F)c(F)c1 ZINC000084647925 370013372 /nfs/dbraw/zinc/01/33/72/370013372.db2.gz MVJVMJQOCPVTML-AAEUAGOBSA-N 2 2 291.345 3.390 50 0 CGAALP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087784877 370029868 /nfs/dbraw/zinc/02/98/68/370029868.db2.gz ZJSKXUTVCJROCT-IRXDYDNUSA-N 2 2 258.409 3.041 50 0 CGAALP c1ccc(C[NH2+]CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087784877 370029871 /nfs/dbraw/zinc/02/98/71/370029871.db2.gz ZJSKXUTVCJROCT-IRXDYDNUSA-N 2 2 258.409 3.041 50 0 CGAALP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000089947843 370052605 /nfs/dbraw/zinc/05/26/05/370052605.db2.gz QJWMAGYXPRWMPE-OAHLLOKOSA-N 2 2 279.334 3.292 50 0 CGAALP CC(=O)c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000215280909 376147689 /nfs/dbraw/zinc/14/76/89/376147689.db2.gz GPEICIZIXXMCSI-UHFFFAOYSA-N 2 2 289.404 3.053 50 0 CGAALP C[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007985291 170312079 /nfs/dbraw/zinc/31/20/79/170312079.db2.gz GGYDZHXFRUGJTK-UNQWWWNPSA-N 2 2 279.387 3.488 50 0 CGAALP c1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000037325808 173126792 /nfs/dbraw/zinc/12/67/92/173126792.db2.gz LJLURTMAKDPIBA-LJQANCHMSA-N 2 2 280.415 3.441 50 0 CGAALP c1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000037325808 173126793 /nfs/dbraw/zinc/12/67/93/173126793.db2.gz LJLURTMAKDPIBA-LJQANCHMSA-N 2 2 280.415 3.441 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1CC1C[NH+](C2CCCC2)C1 ZINC000409420954 932026639 /nfs/dbraw/zinc/02/66/39/932026639.db2.gz KWBBDGJNFLGFOD-UHFFFAOYSA-N 2 2 296.418 3.128 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001506406431 937989923 /nfs/dbraw/zinc/98/99/23/937989923.db2.gz KLMNVSRMWIKRJM-NSHDSACASA-N 2 2 295.789 3.416 50 0 CGAALP Cc1[nH+]cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000091755272 180246941 /nfs/dbraw/zinc/24/69/41/180246941.db2.gz HLOSZDNFDGKEHZ-UHFFFAOYSA-N 2 2 296.418 3.301 50 0 CGAALP C[C@H](c1cccc(Cl)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000095369372 370178780 /nfs/dbraw/zinc/17/87/80/370178780.db2.gz HXEGVPBMCVUXCG-GFCCVEGCSA-N 2 2 266.816 3.427 50 0 CGAALP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000093644947 370152701 /nfs/dbraw/zinc/15/27/01/370152701.db2.gz NDYDITFXUMLQSD-PWSUYJOCSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)CC[N@H+]1C ZINC000093644947 370152706 /nfs/dbraw/zinc/15/27/06/370152706.db2.gz NDYDITFXUMLQSD-PWSUYJOCSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644947 370152709 /nfs/dbraw/zinc/15/27/09/370152709.db2.gz NDYDITFXUMLQSD-PWSUYJOCSA-N 2 2 286.341 3.018 50 0 CGAALP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)CC[NH+]1C ZINC000093644947 370152714 /nfs/dbraw/zinc/15/27/14/370152714.db2.gz NDYDITFXUMLQSD-PWSUYJOCSA-N 2 2 286.341 3.018 50 0 CGAALP CC1(C)[C@H]([NH2+]CCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000097379777 370241496 /nfs/dbraw/zinc/24/14/96/370241496.db2.gz JSJGQMZJJHCHEM-HZPDHXFCSA-N 2 2 269.392 3.055 50 0 CGAALP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000097698815 370251852 /nfs/dbraw/zinc/25/18/52/370251852.db2.gz HQSDBYGZHQWJEP-CYBMUJFWSA-N 2 2 284.806 3.395 50 0 CGAALP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000097698815 370251855 /nfs/dbraw/zinc/25/18/55/370251855.db2.gz HQSDBYGZHQWJEP-CYBMUJFWSA-N 2 2 284.806 3.395 50 0 CGAALP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cnc2ccccc2c1 ZINC000244831516 376799794 /nfs/dbraw/zinc/79/97/94/376799794.db2.gz UFENZMVKUSWXET-QGZVFWFLSA-N 2 2 283.419 3.151 50 0 CGAALP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cnc2ccccc2c1 ZINC000244831516 376799801 /nfs/dbraw/zinc/79/98/01/376799801.db2.gz UFENZMVKUSWXET-QGZVFWFLSA-N 2 2 283.419 3.151 50 0 CGAALP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cnc2ccccc2c1 ZINC000244831516 376799803 /nfs/dbraw/zinc/79/98/03/376799803.db2.gz UFENZMVKUSWXET-QGZVFWFLSA-N 2 2 283.419 3.151 50 0 CGAALP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cnc2ccccc2c1 ZINC000244831516 376799807 /nfs/dbraw/zinc/79/98/07/376799807.db2.gz UFENZMVKUSWXET-QGZVFWFLSA-N 2 2 283.419 3.151 50 0 CGAALP c1cn(CCC[N@@H+]2Cc3ccccc3C3(CCC3)C2)c[nH+]1 ZINC000375632163 392797882 /nfs/dbraw/zinc/79/78/82/392797882.db2.gz SMQYBCHHCUEEEO-UHFFFAOYSA-N 2 2 281.403 3.211 50 0 CGAALP c1cn(CCC[N@H+]2Cc3ccccc3C3(CCC3)C2)c[nH+]1 ZINC000375632163 392797886 /nfs/dbraw/zinc/79/78/86/392797886.db2.gz SMQYBCHHCUEEEO-UHFFFAOYSA-N 2 2 281.403 3.211 50 0 CGAALP Fc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000035268960 172091761 /nfs/dbraw/zinc/09/17/61/172091761.db2.gz YHHVCSOURGIXDM-UHFFFAOYSA-N 2 2 299.349 3.462 50 0 CGAALP CCC[C@@H]1c2[nH]c[nH+]c2CC[N@H+]1CCc1ccccc1 ZINC000071760236 176261218 /nfs/dbraw/zinc/26/12/18/176261218.db2.gz LCFKEAKMIMUGHO-MRXNPFEDSA-N 2 2 269.392 3.352 50 0 CGAALP CCC[C@@H]1c2[nH]c[nH+]c2CC[N@@H+]1CCc1ccccc1 ZINC000071760236 176261219 /nfs/dbraw/zinc/26/12/19/176261219.db2.gz LCFKEAKMIMUGHO-MRXNPFEDSA-N 2 2 269.392 3.352 50 0 CGAALP c1ccc2[nH+]c(C[C@H]3CCCN(c4cc[nH+]cc4)C3)[nH]c2c1 ZINC000077321134 177252696 /nfs/dbraw/zinc/25/26/96/177252696.db2.gz FJGWGSCUCPMHED-CQSZACIVSA-N 2 2 292.386 3.417 50 0 CGAALP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC(CF)(CF)C1 ZINC000657825061 419374547 /nfs/dbraw/zinc/37/45/47/419374547.db2.gz VVANTKAYCOPXFH-UHFFFAOYSA-N 2 2 293.361 3.022 50 0 CGAALP Cc1[nH+]c2cc(C(F)(F)F)ccc2n1C1CC[NH2+]CC1 ZINC000013471167 282049251 /nfs/dbraw/zinc/04/92/51/282049251.db2.gz UCMSHFFEOPNSNA-UHFFFAOYSA-N 2 2 283.297 3.288 50 0 CGAALP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2cc(F)ccc2[nH]1 ZINC001506409993 937989973 /nfs/dbraw/zinc/98/99/73/937989973.db2.gz BYDSQRGDAPTXOM-UHFFFAOYSA-N 2 2 286.354 3.026 50 0 CGAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2cc(F)ccc2[nH]1 ZINC001506409993 937989974 /nfs/dbraw/zinc/98/99/74/937989974.db2.gz BYDSQRGDAPTXOM-UHFFFAOYSA-N 2 2 286.354 3.026 50 0 CGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000091997241 180302982 /nfs/dbraw/zinc/30/29/82/180302982.db2.gz YLURWNWJRXFHPT-MRXNPFEDSA-N 2 2 299.418 3.291 50 0 CGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000091997241 180302984 /nfs/dbraw/zinc/30/29/84/180302984.db2.gz YLURWNWJRXFHPT-MRXNPFEDSA-N 2 2 299.418 3.291 50 0 CGAALP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H](c2ccco2)C1 ZINC000183183346 189349361 /nfs/dbraw/zinc/34/93/61/189349361.db2.gz NUNDUXKGDUPTGV-CABCVRRESA-N 2 2 273.380 3.339 50 0 CGAALP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](c2ccco2)C1 ZINC000183183346 189349362 /nfs/dbraw/zinc/34/93/62/189349362.db2.gz NUNDUXKGDUPTGV-CABCVRRESA-N 2 2 273.380 3.339 50 0 CGAALP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099445 368603745 /nfs/dbraw/zinc/60/37/45/368603745.db2.gz LGMIHWZHLJSBDB-LBPRGKRZSA-N 2 2 294.826 3.017 50 0 CGAALP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099445 368603749 /nfs/dbraw/zinc/60/37/49/368603749.db2.gz LGMIHWZHLJSBDB-LBPRGKRZSA-N 2 2 294.826 3.017 50 0 CGAALP C[NH+](C)CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019809457 368768381 /nfs/dbraw/zinc/76/83/81/368768381.db2.gz UYQLMGALVYDSQL-GOSISDBHSA-N 2 2 268.404 3.122 50 0 CGAALP CCc1[nH]c(C[N@@H+](Cc2ccccn2)CC(C)C)c(C)[nH+]1 ZINC000055370482 369516418 /nfs/dbraw/zinc/51/64/18/369516418.db2.gz GEIBWQLYIHELAS-UHFFFAOYSA-N 2 2 286.423 3.334 50 0 CGAALP CCc1[nH]c(C[N@H+](Cc2ccccn2)CC(C)C)c(C)[nH+]1 ZINC000055370482 369516421 /nfs/dbraw/zinc/51/64/21/369516421.db2.gz GEIBWQLYIHELAS-UHFFFAOYSA-N 2 2 286.423 3.334 50 0 CGAALP C[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2cc[nH+]cc2)C1 ZINC000075567420 369913765 /nfs/dbraw/zinc/91/37/65/369913765.db2.gz RFCWQUIXKMFVLP-UHFFFAOYSA-N 2 2 281.334 3.153 50 0 CGAALP C[N@H+]1CCc2c(c3cc(F)ccc3n2-c2cc[nH+]cc2)C1 ZINC000075567420 369913766 /nfs/dbraw/zinc/91/37/66/369913766.db2.gz RFCWQUIXKMFVLP-UHFFFAOYSA-N 2 2 281.334 3.153 50 0 CGAALP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccsc2S1 ZINC000089497022 370042389 /nfs/dbraw/zinc/04/23/89/370042389.db2.gz BZCUSSZUFLTGGY-GWCFXTLKSA-N 2 2 282.478 3.357 50 0 CGAALP CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](C)C2 ZINC000216178164 376159512 /nfs/dbraw/zinc/15/95/12/376159512.db2.gz BJNKUVJUITWNBE-DOTOQJQBSA-N 2 2 297.446 3.187 50 0 CGAALP Fc1ccccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000035268959 172091697 /nfs/dbraw/zinc/09/16/97/172091697.db2.gz IKYOAMNPZFMUIH-UHFFFAOYSA-N 2 2 299.349 3.462 50 0 CGAALP CC(C)c1[nH+]ccn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071499059 176192098 /nfs/dbraw/zinc/19/20/98/176192098.db2.gz IARUBDLNVSGERK-MRXNPFEDSA-N 2 2 269.392 3.454 50 0 CGAALP CC(C)c1[nH+]ccn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071499059 176192100 /nfs/dbraw/zinc/19/21/00/176192100.db2.gz IARUBDLNVSGERK-MRXNPFEDSA-N 2 2 269.392 3.454 50 0 CGAALP CCSC[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000067982945 521716649 /nfs/dbraw/zinc/71/66/49/521716649.db2.gz IMPKEZMHBWXSSW-ZDUSSCGKSA-N 2 2 275.421 3.104 50 0 CGAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Cl)cncc1Cl ZINC000952861523 800685121 /nfs/dbraw/zinc/68/51/21/800685121.db2.gz HRHPYJXLIIAEOH-SNVBAGLBSA-N 2 2 299.205 3.153 50 0 CGAALP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004739 185062792 /nfs/dbraw/zinc/06/27/92/185062792.db2.gz SUZULDOCJMIDOX-JSGCOSHPSA-N 2 2 293.480 3.194 50 0 CGAALP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000096004739 185062793 /nfs/dbraw/zinc/06/27/93/185062793.db2.gz SUZULDOCJMIDOX-JSGCOSHPSA-N 2 2 293.480 3.194 50 0 CGAALP CS[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090725477 180033146 /nfs/dbraw/zinc/03/31/46/180033146.db2.gz MZECFSQOFSRDDI-CHWSQXEVSA-N 2 2 275.421 3.274 50 0 CGAALP Fc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000000212485 368317132 /nfs/dbraw/zinc/31/71/32/368317132.db2.gz JCRDCGXZQGCWNC-UHFFFAOYSA-N 2 2 276.399 3.276 50 0 CGAALP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000004155489 368534232 /nfs/dbraw/zinc/53/42/32/368534232.db2.gz OHYQBDWJZDFWDL-UHFFFAOYSA-N 2 2 284.190 3.370 50 0 CGAALP [NH3+]C[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000038526552 369146712 /nfs/dbraw/zinc/14/67/12/369146712.db2.gz ZWIQYOYNKDZSIM-CQSZACIVSA-N 2 2 252.789 3.216 50 0 CGAALP CC[NH+]1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000055142231 369512187 /nfs/dbraw/zinc/51/21/87/369512187.db2.gz GRVYLINNTSVWJW-UHFFFAOYSA-N 2 2 297.240 3.023 50 0 CGAALP c1cn(CC2CC2)c([C@H]2CCC[N@H+](CC3CCC3)C2)[nH+]1 ZINC000082156323 370000215 /nfs/dbraw/zinc/00/02/15/370000215.db2.gz WBHFXVBNYAUALS-INIZCTEOSA-N 2 2 273.424 3.273 50 0 CGAALP c1cn(CC2CC2)c([C@H]2CCC[N@@H+](CC3CCC3)C2)[nH+]1 ZINC000082156323 370000221 /nfs/dbraw/zinc/00/02/21/370000221.db2.gz WBHFXVBNYAUALS-INIZCTEOSA-N 2 2 273.424 3.273 50 0 CGAALP C[C@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000095411867 370185485 /nfs/dbraw/zinc/18/54/85/370185485.db2.gz AOHHSMFAGBANNO-PXNSSMCTSA-N 2 2 294.442 3.482 50 0 CGAALP C[C@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000095411867 370185490 /nfs/dbraw/zinc/18/54/90/370185490.db2.gz AOHHSMFAGBANNO-PXNSSMCTSA-N 2 2 294.442 3.482 50 0 CGAALP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000170088207 372634654 /nfs/dbraw/zinc/63/46/54/372634654.db2.gz CNYLBGQCNMPGAD-PBHICJAKSA-N 2 2 285.391 3.092 50 0 CGAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000221828556 376222118 /nfs/dbraw/zinc/22/21/18/376222118.db2.gz DTADJRWVIXJONH-CVEARBPZSA-N 2 2 273.424 3.031 50 0 CGAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000221828556 376222122 /nfs/dbraw/zinc/22/21/22/376222122.db2.gz DTADJRWVIXJONH-CVEARBPZSA-N 2 2 273.424 3.031 50 0 CGAALP C[N@H+](Cc1c[nH+]cn1C1CC1)[C@@H](c1ccccn1)C1CC1 ZINC000252488282 377631330 /nfs/dbraw/zinc/63/13/30/377631330.db2.gz IOMLOUUQBHNVFY-QGZVFWFLSA-N 2 2 282.391 3.196 50 0 CGAALP C[N@@H+](Cc1c[nH+]cn1C1CC1)[C@@H](c1ccccn1)C1CC1 ZINC000252488282 377631337 /nfs/dbraw/zinc/63/13/37/377631337.db2.gz IOMLOUUQBHNVFY-QGZVFWFLSA-N 2 2 282.391 3.196 50 0 CGAALP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000583651237 378338769 /nfs/dbraw/zinc/33/87/69/378338769.db2.gz JFBZDNNDPASLQZ-XOBRGWDASA-N 2 2 298.367 3.245 50 0 CGAALP c1cn(-c2ncccc2C[NH2+]C2CCCCCC2)c[nH+]1 ZINC000078908973 345624617 /nfs/dbraw/zinc/62/46/17/345624617.db2.gz LQUOEYIJOBYUIC-UHFFFAOYSA-N 2 2 270.380 3.080 50 0 CGAALP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000127617714 187320160 /nfs/dbraw/zinc/32/01/60/187320160.db2.gz WHPRCXFZLPWSBM-UHFFFAOYSA-N 2 2 294.402 3.121 50 0 CGAALP Cc1[nH+]ccn1CCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000127617714 187320162 /nfs/dbraw/zinc/32/01/62/187320162.db2.gz WHPRCXFZLPWSBM-UHFFFAOYSA-N 2 2 294.402 3.121 50 0 CGAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000091997242 180303032 /nfs/dbraw/zinc/30/30/32/180303032.db2.gz YLURWNWJRXFHPT-INIZCTEOSA-N 2 2 299.418 3.291 50 0 CGAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000091997242 180303033 /nfs/dbraw/zinc/30/30/33/180303033.db2.gz YLURWNWJRXFHPT-INIZCTEOSA-N 2 2 299.418 3.291 50 0 CGAALP c1ccc([C@@H]2CC[N@@H+](CC[NH2+]C3CCCC3)C2)cc1 ZINC000050600902 369441938 /nfs/dbraw/zinc/44/19/38/369441938.db2.gz NVNMABOONBOTMC-MRXNPFEDSA-N 2 2 258.409 3.008 50 0 CGAALP c1ccc([C@@H]2CC[N@H+](CC[NH2+]C3CCCC3)C2)cc1 ZINC000050600902 369441943 /nfs/dbraw/zinc/44/19/43/369441943.db2.gz NVNMABOONBOTMC-MRXNPFEDSA-N 2 2 258.409 3.008 50 0 CGAALP C[C@@H](c1[nH+]ccn1CCCn1cc[nH+]c1)c1ccccc1 ZINC000067541408 369720620 /nfs/dbraw/zinc/72/06/20/369720620.db2.gz YZIWKUNWWOYCIV-OAHLLOKOSA-N 2 2 280.375 3.322 50 0 CGAALP c1cn(C2CC[NH+](CCSc3ccccc3)CC2)c[nH+]1 ZINC000075140770 369897155 /nfs/dbraw/zinc/89/71/55/369897155.db2.gz KDKZTZROSCBAFU-UHFFFAOYSA-N 2 2 287.432 3.312 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1sccc1Cl)C2 ZINC000225609806 376318602 /nfs/dbraw/zinc/31/86/02/376318602.db2.gz OAYCPUKIINHEGW-JTQLQIEISA-N 2 2 281.812 3.011 50 0 CGAALP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cn1cc[nH+]c1 ZINC000249284504 377487126 /nfs/dbraw/zinc/48/71/26/377487126.db2.gz OUPKWFSLEXWTCY-JHJVBQTASA-N 2 2 289.345 3.230 50 0 CGAALP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccco3)CC2)ccn1 ZINC000670459801 543156312 /nfs/dbraw/zinc/15/63/12/543156312.db2.gz DDXIDXNDVATZDB-UHFFFAOYSA-N 2 2 299.418 3.079 50 0 CGAALP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccco3)CC2)ccn1 ZINC000670459801 543156314 /nfs/dbraw/zinc/15/63/14/543156314.db2.gz DDXIDXNDVATZDB-UHFFFAOYSA-N 2 2 299.418 3.079 50 0 CGAALP CC(C)(C)c1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000097915399 526790095 /nfs/dbraw/zinc/79/00/95/526790095.db2.gz PXOOYHFTBVTTDY-MRXNPFEDSA-N 2 2 260.425 3.470 50 0 CGAALP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccco3)CC2)cn1 ZINC000584895716 346723106 /nfs/dbraw/zinc/72/31/06/346723106.db2.gz UPAZWZDOCWYPMB-HNNXBMFYSA-N 2 2 299.418 3.298 50 0 CGAALP C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000000317184 368340701 /nfs/dbraw/zinc/34/07/01/368340701.db2.gz WLCZCODIFJSGEQ-IYBDPMFKSA-N 2 2 287.451 3.024 50 0 CGAALP C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000000317184 368340702 /nfs/dbraw/zinc/34/07/02/368340702.db2.gz WLCZCODIFJSGEQ-IYBDPMFKSA-N 2 2 287.451 3.024 50 0 CGAALP CCc1c[nH+]c(C)nc1N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000065533861 369682603 /nfs/dbraw/zinc/68/26/03/369682603.db2.gz OBRHOKPYCCIAGO-INIZCTEOSA-N 2 2 284.407 3.062 50 0 CGAALP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069286914 369756349 /nfs/dbraw/zinc/75/63/49/369756349.db2.gz ROEOZYGKXYXQPX-OAHLLOKOSA-N 2 2 296.414 3.175 50 0 CGAALP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000069286914 369756353 /nfs/dbraw/zinc/75/63/53/369756353.db2.gz ROEOZYGKXYXQPX-OAHLLOKOSA-N 2 2 296.414 3.175 50 0 CGAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000097377001 370240840 /nfs/dbraw/zinc/24/08/40/370240840.db2.gz DTADJRWVIXJONH-HOTGVXAUSA-N 2 2 273.424 3.031 50 0 CGAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000097377001 370240846 /nfs/dbraw/zinc/24/08/46/370240846.db2.gz DTADJRWVIXJONH-HOTGVXAUSA-N 2 2 273.424 3.031 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]12 ZINC000101363526 370289142 /nfs/dbraw/zinc/28/91/42/370289142.db2.gz XFHQYXRJUICKLQ-IAGOWNOFSA-N 2 2 286.419 3.034 50 0 CGAALP C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]12 ZINC000101363526 370289146 /nfs/dbraw/zinc/28/91/46/370289146.db2.gz XFHQYXRJUICKLQ-IAGOWNOFSA-N 2 2 286.419 3.034 50 0 CGAALP Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000353382643 220052919 /nfs/dbraw/zinc/05/29/19/220052919.db2.gz IIRRBBMZOGRMCA-CQSZACIVSA-N 2 2 296.374 3.079 50 0 CGAALP Fc1cccc(F)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000078612740 177360556 /nfs/dbraw/zinc/36/05/56/177360556.db2.gz GXKQVGHQXFGALV-UHFFFAOYSA-N 2 2 299.324 3.440 50 0 CGAALP C[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095419518 277031173 /nfs/dbraw/zinc/03/11/73/277031173.db2.gz WPGSWYMBFGNGSG-MRXNPFEDSA-N 2 2 286.419 3.117 50 0 CGAALP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000096489346 230382162 /nfs/dbraw/zinc/38/21/62/230382162.db2.gz SHAIJNLQZZLJEH-HIFRSBDPSA-N 2 2 255.365 3.030 50 0 CGAALP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004740 185063206 /nfs/dbraw/zinc/06/32/06/185063206.db2.gz SUZULDOCJMIDOX-OCCSQVGLSA-N 2 2 293.480 3.194 50 0 CGAALP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000096004740 185063208 /nfs/dbraw/zinc/06/32/08/185063208.db2.gz SUZULDOCJMIDOX-OCCSQVGLSA-N 2 2 293.480 3.194 50 0 CGAALP [NH2+]=C1NC(Nc2cccc3ccccc32)=[NH+]C2(CCCC2)N1 ZINC000019326925 344890149 /nfs/dbraw/zinc/89/01/49/344890149.db2.gz SHDBZSCCMYSPIQ-UHFFFAOYSA-N 2 2 293.374 3.006 50 0 CGAALP Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c[nH+]c1N ZINC000032516138 368933793 /nfs/dbraw/zinc/93/37/93/368933793.db2.gz VOOZMBUIGFDPFS-AWEZNQCLSA-N 2 2 297.402 3.032 50 0 CGAALP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000037140816 369066801 /nfs/dbraw/zinc/06/68/01/369066801.db2.gz WSIYSVCGLVBEAI-JTQLQIEISA-N 2 2 279.453 3.037 50 0 CGAALP CC[N@@H+]1CCC[C@H](c2[nH]c[nH+]c2-c2ccccc2)C1 ZINC000065505125 369681328 /nfs/dbraw/zinc/68/13/28/369681328.db2.gz VAKSHCFUGVZBAM-AWEZNQCLSA-N 2 2 255.365 3.276 50 0 CGAALP CC[N@H+]1CCC[C@H](c2[nH]c[nH+]c2-c2ccccc2)C1 ZINC000065505125 369681332 /nfs/dbraw/zinc/68/13/32/369681332.db2.gz VAKSHCFUGVZBAM-AWEZNQCLSA-N 2 2 255.365 3.276 50 0 CGAALP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087784876 370029820 /nfs/dbraw/zinc/02/98/20/370029820.db2.gz ZJSKXUTVCJROCT-SJORKVTESA-N 2 2 258.409 3.041 50 0 CGAALP c1ccc(C[NH2+]CC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087784876 370029823 /nfs/dbraw/zinc/02/98/23/370029823.db2.gz ZJSKXUTVCJROCT-SJORKVTESA-N 2 2 258.409 3.041 50 0 CGAALP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000089895759 370050469 /nfs/dbraw/zinc/05/04/69/370050469.db2.gz HUHSPNAWPQXJHW-WBVHZDCISA-N 2 2 283.419 3.371 50 0 CGAALP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644644 370154607 /nfs/dbraw/zinc/15/46/07/370154607.db2.gz VUYHCFRHTOSXFK-SMDDNHRTSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000093644644 370154612 /nfs/dbraw/zinc/15/46/12/370154612.db2.gz VUYHCFRHTOSXFK-SMDDNHRTSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644644 370154617 /nfs/dbraw/zinc/15/46/17/370154617.db2.gz VUYHCFRHTOSXFK-SMDDNHRTSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644644 370154620 /nfs/dbraw/zinc/15/46/20/370154620.db2.gz VUYHCFRHTOSXFK-SMDDNHRTSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H](c1cccc(-c2cc[nH+]c(N)c2)c1)[NH+]1CCCC1 ZINC000215075073 376143997 /nfs/dbraw/zinc/14/39/97/376143997.db2.gz GKRLRALBOIZVLM-ZDUSSCGKSA-N 2 2 267.376 3.488 50 0 CGAALP c1ccc2[nH+]c(C[C@@H]3CCCN(c4cc[nH+]cc4)C3)[nH]c2c1 ZINC000077321133 177252651 /nfs/dbraw/zinc/25/26/51/177252651.db2.gz FJGWGSCUCPMHED-AWEZNQCLSA-N 2 2 292.386 3.417 50 0 CGAALP C[C@H]([NH2+]C1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096478775 533812153 /nfs/dbraw/zinc/81/21/53/533812153.db2.gz ISOAJGVMCMURJY-ZDUSSCGKSA-N 2 2 287.432 3.419 50 0 CGAALP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC001506399903 937989629 /nfs/dbraw/zinc/98/96/29/937989629.db2.gz RMFHSOXLKHKAAM-SNVBAGLBSA-N 2 2 297.324 3.041 50 0 CGAALP Cc1ccc(NC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000096493101 230383384 /nfs/dbraw/zinc/38/33/84/230383384.db2.gz QXHLLTMEOLXEMG-UHFFFAOYSA-N 2 2 298.434 3.158 50 0 CGAALP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004738 185062954 /nfs/dbraw/zinc/06/29/54/185062954.db2.gz SUZULDOCJMIDOX-TZMCWYRMSA-N 2 2 293.480 3.194 50 0 CGAALP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000096004738 185062956 /nfs/dbraw/zinc/06/29/56/185062956.db2.gz SUZULDOCJMIDOX-TZMCWYRMSA-N 2 2 293.480 3.194 50 0 CGAALP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000000216080 368317459 /nfs/dbraw/zinc/31/74/59/368317459.db2.gz MNOLTTIITCPZRI-MAUKXSAKSA-N 2 2 272.436 3.429 50 0 CGAALP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000035012654 368989976 /nfs/dbraw/zinc/98/99/76/368989976.db2.gz HUPLASFKOGRFPO-ZDUSSCGKSA-N 2 2 267.332 3.316 50 0 CGAALP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000097379775 370241107 /nfs/dbraw/zinc/24/11/07/370241107.db2.gz JSJGQMZJJHCHEM-CVEARBPZSA-N 2 2 269.392 3.055 50 0 CGAALP CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)o1 ZINC000095421127 370188407 /nfs/dbraw/zinc/18/84/07/370188407.db2.gz BACGQCABBWHIAE-CYBMUJFWSA-N 2 2 296.374 3.274 50 0 CGAALP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000225392073 376305960 /nfs/dbraw/zinc/30/59/60/376305960.db2.gz XGVNURMPIBMMJO-UHFFFAOYSA-N 2 2 290.382 3.435 50 0 CGAALP C[C@@H]([NH2+]CCC1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000585117338 378396869 /nfs/dbraw/zinc/39/68/69/378396869.db2.gz YSCUSPLUPRNRDZ-QAPCUYQASA-N 2 2 290.451 3.084 50 0 CGAALP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000072137170 176323136 /nfs/dbraw/zinc/32/31/36/176323136.db2.gz GYPTUUZJFMUKKX-CQSZACIVSA-N 2 2 264.413 3.148 50 0 CGAALP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000072137170 176323138 /nfs/dbraw/zinc/32/31/38/176323138.db2.gz GYPTUUZJFMUKKX-CQSZACIVSA-N 2 2 264.413 3.148 50 0 CGAALP Cc1cc(Cn2cc[nH+]c2-c2ccncc2)cc(C)[nH+]1 ZINC000077387318 177262366 /nfs/dbraw/zinc/26/23/66/177262366.db2.gz OJYFMIKWAGZOBY-UHFFFAOYSA-N 2 2 264.332 3.005 50 0 CGAALP CCSC[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000067982944 521716745 /nfs/dbraw/zinc/71/67/45/521716745.db2.gz IMPKEZMHBWXSSW-CYBMUJFWSA-N 2 2 275.421 3.104 50 0 CGAALP C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067981967 526132279 /nfs/dbraw/zinc/13/22/79/526132279.db2.gz HITLTEJBUJYCGF-OAHLLOKOSA-N 2 2 292.386 3.460 50 0 CGAALP C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000067981967 526132290 /nfs/dbraw/zinc/13/22/90/526132290.db2.gz HITLTEJBUJYCGF-OAHLLOKOSA-N 2 2 292.386 3.460 50 0 CGAALP CCc1ccc(C[N@H+](C)CCC[NH+]2CCCCCC2)nc1 ZINC001506396169 937989464 /nfs/dbraw/zinc/98/94/64/937989464.db2.gz AVDNWDTYKAMFIR-UHFFFAOYSA-N 2 2 289.467 3.342 50 0 CGAALP CCc1ccc(C[N@@H+](C)CCC[NH+]2CCCCCC2)nc1 ZINC001506396169 937989465 /nfs/dbraw/zinc/98/94/65/937989465.db2.gz AVDNWDTYKAMFIR-UHFFFAOYSA-N 2 2 289.467 3.342 50 0 CGAALP Cc1cc(NCc2ccc[nH+]c2N2CCCCC2)nc(C)[nH+]1 ZINC000068999236 345370267 /nfs/dbraw/zinc/37/02/67/345370267.db2.gz SKHOVDUCEQPRKQ-UHFFFAOYSA-N 2 2 297.406 3.091 50 0 CGAALP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182784378 189334573 /nfs/dbraw/zinc/33/45/73/189334573.db2.gz JEQRKGAZQHWRDD-RDJZCZTQSA-N 2 2 269.392 3.151 50 0 CGAALP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182784378 189334574 /nfs/dbraw/zinc/33/45/74/189334574.db2.gz JEQRKGAZQHWRDD-RDJZCZTQSA-N 2 2 269.392 3.151 50 0 CGAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH+](CC)CC)c1C ZINC000000104412 368290550 /nfs/dbraw/zinc/29/05/50/368290550.db2.gz LMWABAOFFZJVLU-UHFFFAOYSA-N 2 2 299.418 3.386 50 0 CGAALP C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000002734477 368474107 /nfs/dbraw/zinc/47/41/07/368474107.db2.gz YOKWTXMBGXEVRX-IYBDPMFKSA-N 2 2 287.451 3.024 50 0 CGAALP C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000002734477 368474112 /nfs/dbraw/zinc/47/41/12/368474112.db2.gz YOKWTXMBGXEVRX-IYBDPMFKSA-N 2 2 287.451 3.024 50 0 CGAALP CC[NH+](CC)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019260247 368746726 /nfs/dbraw/zinc/74/67/26/368746726.db2.gz RDIPAVQWDCEASO-GFCCVEGCSA-N 2 2 260.303 3.047 50 0 CGAALP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000035012656 368989494 /nfs/dbraw/zinc/98/94/94/368989494.db2.gz HUPLASFKOGRFPO-CYBMUJFWSA-N 2 2 267.332 3.316 50 0 CGAALP c1ccc([C@H]2CC[N@@H+](CC[NH2+]C3CCCC3)C2)cc1 ZINC000050600904 369441817 /nfs/dbraw/zinc/44/18/17/369441817.db2.gz NVNMABOONBOTMC-INIZCTEOSA-N 2 2 258.409 3.008 50 0 CGAALP c1ccc([C@H]2CC[N@H+](CC[NH2+]C3CCCC3)C2)cc1 ZINC000050600904 369441823 /nfs/dbraw/zinc/44/18/23/369441823.db2.gz NVNMABOONBOTMC-INIZCTEOSA-N 2 2 258.409 3.008 50 0 CGAALP Cc1[nH+]ccn1-c1ccc(CNc2cccc[nH+]2)cc1F ZINC000063254725 369645020 /nfs/dbraw/zinc/64/50/20/369645020.db2.gz CLWNPYLPXPBCHR-UHFFFAOYSA-N 2 2 282.322 3.327 50 0 CGAALP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC000067688546 369723606 /nfs/dbraw/zinc/72/36/06/369723606.db2.gz CTXBDTBRQWJTAC-GOSISDBHSA-N 2 2 270.420 3.351 50 0 CGAALP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC000067688546 369723612 /nfs/dbraw/zinc/72/36/12/369723612.db2.gz CTXBDTBRQWJTAC-GOSISDBHSA-N 2 2 270.420 3.351 50 0 CGAALP CCCc1cc(C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)[nH]n1 ZINC000067871516 369733230 /nfs/dbraw/zinc/73/32/30/369733230.db2.gz XRROHKFJMYXHNB-UHFFFAOYSA-N 2 2 292.471 3.103 50 0 CGAALP CCCc1cc(C[N@@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)[nH]n1 ZINC000067871516 369733233 /nfs/dbraw/zinc/73/32/33/369733233.db2.gz XRROHKFJMYXHNB-UHFFFAOYSA-N 2 2 292.471 3.103 50 0 CGAALP C[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000222126431 376229875 /nfs/dbraw/zinc/22/98/75/376229875.db2.gz CADOTINMNIQEPF-CRAIPNDOSA-N 2 2 282.387 3.338 50 0 CGAALP C[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000222126431 376229881 /nfs/dbraw/zinc/22/98/81/376229881.db2.gz CADOTINMNIQEPF-CRAIPNDOSA-N 2 2 282.387 3.338 50 0 CGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000229315906 376462229 /nfs/dbraw/zinc/46/22/29/376462229.db2.gz CYMFWTIYFNNGRB-MAUKXSAKSA-N 2 2 281.403 3.007 50 0 CGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000229315906 376462238 /nfs/dbraw/zinc/46/22/38/376462238.db2.gz CYMFWTIYFNNGRB-MAUKXSAKSA-N 2 2 281.403 3.007 50 0 CGAALP CCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000241776878 376779152 /nfs/dbraw/zinc/77/91/52/376779152.db2.gz RTGXLNOPCGDEMK-HIFRSBDPSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000241776878 376779155 /nfs/dbraw/zinc/77/91/55/376779155.db2.gz RTGXLNOPCGDEMK-HIFRSBDPSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000241776878 376779159 /nfs/dbraw/zinc/77/91/59/376779159.db2.gz RTGXLNOPCGDEMK-HIFRSBDPSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000241776878 376779160 /nfs/dbraw/zinc/77/91/60/376779160.db2.gz RTGXLNOPCGDEMK-HIFRSBDPSA-N 2 2 295.496 3.394 50 0 CGAALP CC[C@@H]1CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670467085 543156685 /nfs/dbraw/zinc/15/66/85/543156685.db2.gz LNNUZHVMHMZBMF-MRXNPFEDSA-N 2 2 299.418 3.194 50 0 CGAALP CC[C@@H]1CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000670467085 543156687 /nfs/dbraw/zinc/15/66/87/543156687.db2.gz LNNUZHVMHMZBMF-MRXNPFEDSA-N 2 2 299.418 3.194 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2ccccc2c1 ZINC000035275124 172095593 /nfs/dbraw/zinc/09/55/93/172095593.db2.gz OBXFZCDVCJRQHG-CQSZACIVSA-N 2 2 265.360 3.215 50 0 CGAALP Clc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1Cl ZINC000039170047 174164918 /nfs/dbraw/zinc/16/49/18/174164918.db2.gz OQWRETIMQOUOTC-UHFFFAOYSA-N 2 2 284.190 3.370 50 0 CGAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(F)c2)cn1 ZINC000048782293 416459553 /nfs/dbraw/zinc/45/95/53/416459553.db2.gz FLYQNUKKYIHNDU-UHFFFAOYSA-N 2 2 296.349 3.005 50 0 CGAALP CC[N@@H+]1CCC[C@@H](c2[nH]c[nH+]c2-c2ccccc2)C1 ZINC000065505131 369680740 /nfs/dbraw/zinc/68/07/40/369680740.db2.gz VAKSHCFUGVZBAM-CQSZACIVSA-N 2 2 255.365 3.276 50 0 CGAALP CC[N@H+]1CCC[C@@H](c2[nH]c[nH+]c2-c2ccccc2)C1 ZINC000065505131 369680746 /nfs/dbraw/zinc/68/07/46/369680746.db2.gz VAKSHCFUGVZBAM-CQSZACIVSA-N 2 2 255.365 3.276 50 0 CGAALP c1ccc(CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000089832405 370047122 /nfs/dbraw/zinc/04/71/22/370047122.db2.gz QTOMFSKBKXVIJQ-FQEVSTJZSA-N 2 2 294.442 3.136 50 0 CGAALP c1ccc(CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000089832405 370047123 /nfs/dbraw/zinc/04/71/23/370047123.db2.gz QTOMFSKBKXVIJQ-FQEVSTJZSA-N 2 2 294.442 3.136 50 0 CGAALP c1cn(CCC[NH2+][C@H]2CCCSc3ccccc32)c[nH+]1 ZINC000095419075 370186822 /nfs/dbraw/zinc/18/68/22/370186822.db2.gz DQHNAZQREVFEON-HNNXBMFYSA-N 2 2 287.432 3.490 50 0 CGAALP Cc1cccc([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000095421123 370188536 /nfs/dbraw/zinc/18/85/36/370188536.db2.gz XKOMLUHRMNRHFF-OAHLLOKOSA-N 2 2 292.386 3.427 50 0 CGAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095509715 370200947 /nfs/dbraw/zinc/20/09/47/370200947.db2.gz ILQUUGSFAIVOEW-HNNXBMFYSA-N 2 2 284.407 3.462 50 0 CGAALP Clc1c[nH+]ccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000176893809 373638079 /nfs/dbraw/zinc/63/80/79/373638079.db2.gz LVMADRMBYQDHHX-LBPRGKRZSA-N 2 2 288.782 3.068 50 0 CGAALP Clc1ccsc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000194361597 375992199 /nfs/dbraw/zinc/99/21/99/375992199.db2.gz YPEGDSIPQPPNDZ-UHFFFAOYSA-N 2 2 281.812 3.435 50 0 CGAALP CC[N@@H+]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000252494060 377633176 /nfs/dbraw/zinc/63/31/76/377633176.db2.gz NKALHNAMXKCQNS-HNNXBMFYSA-N 2 2 250.430 3.029 50 0 CGAALP CC[N@H+]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000252494060 377633180 /nfs/dbraw/zinc/63/31/80/377633180.db2.gz NKALHNAMXKCQNS-HNNXBMFYSA-N 2 2 250.430 3.029 50 0 CGAALP c1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cs1 ZINC000035287217 172105091 /nfs/dbraw/zinc/10/50/91/172105091.db2.gz IWESTGAHFAXQTE-UHFFFAOYSA-N 2 2 271.389 3.347 50 0 CGAALP C[NH+](C)Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000065385492 282148359 /nfs/dbraw/zinc/14/83/59/282148359.db2.gz BAPSQPFFIJZIKY-KRWDZBQOSA-N 2 2 298.434 3.199 50 0 CGAALP C[NH+](C)Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000065385492 282148360 /nfs/dbraw/zinc/14/83/60/282148360.db2.gz BAPSQPFFIJZIKY-KRWDZBQOSA-N 2 2 298.434 3.199 50 0 CGAALP Cn1cc[nH+]c1CC[NH2+][C@H](c1ccco1)c1ccc(F)cc1 ZINC000195560629 346273664 /nfs/dbraw/zinc/27/36/64/346273664.db2.gz LSDLENRGRFHGLI-KRWDZBQOSA-N 2 2 299.349 3.074 50 0 CGAALP COc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182622699 189329083 /nfs/dbraw/zinc/32/90/83/189329083.db2.gz IKLAFDLEPHCFIB-KRWDZBQOSA-N 2 2 285.391 3.119 50 0 CGAALP COc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182622699 189329084 /nfs/dbraw/zinc/32/90/84/189329084.db2.gz IKLAFDLEPHCFIB-KRWDZBQOSA-N 2 2 285.391 3.119 50 0 CGAALP COc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182622719 189329187 /nfs/dbraw/zinc/32/91/87/189329187.db2.gz IKLAFDLEPHCFIB-QGZVFWFLSA-N 2 2 285.391 3.119 50 0 CGAALP COc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182622719 189329188 /nfs/dbraw/zinc/32/91/88/189329188.db2.gz IKLAFDLEPHCFIB-QGZVFWFLSA-N 2 2 285.391 3.119 50 0 CGAALP CC1CCC([NH+]2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000001458498 368415078 /nfs/dbraw/zinc/41/50/78/368415078.db2.gz DIKZSWADIHRQBQ-HPZPOOBXSA-N 2 2 294.483 3.139 50 0 CGAALP CC1CCC([NH+]2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000001458498 368415085 /nfs/dbraw/zinc/41/50/85/368415085.db2.gz DIKZSWADIHRQBQ-HPZPOOBXSA-N 2 2 294.483 3.139 50 0 CGAALP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000069286918 369756808 /nfs/dbraw/zinc/75/68/08/369756808.db2.gz ROEOZYGKXYXQPX-HNNXBMFYSA-N 2 2 296.414 3.175 50 0 CGAALP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000069286918 369756811 /nfs/dbraw/zinc/75/68/11/369756811.db2.gz ROEOZYGKXYXQPX-HNNXBMFYSA-N 2 2 296.414 3.175 50 0 CGAALP CSCC[C@@H](C)[NH2+]CCc1[nH]c2c(cccc2C)[nH+]1 ZINC000067786533 369728887 /nfs/dbraw/zinc/72/88/87/369728887.db2.gz QHKZTUQLCAEFCL-GFCCVEGCSA-N 2 2 277.437 3.145 50 0 CGAALP CSCC[C@@H](C)[NH2+]CCc1[nH]c2cccc(C)c2[nH+]1 ZINC000067786533 369728889 /nfs/dbraw/zinc/72/88/89/369728889.db2.gz QHKZTUQLCAEFCL-GFCCVEGCSA-N 2 2 277.437 3.145 50 0 CGAALP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000089904776 370050880 /nfs/dbraw/zinc/05/08/80/370050880.db2.gz KBBNLNNXCJCSBC-ZDUSSCGKSA-N 2 2 261.344 3.105 50 0 CGAALP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000089904776 370050885 /nfs/dbraw/zinc/05/08/85/370050885.db2.gz KBBNLNNXCJCSBC-ZDUSSCGKSA-N 2 2 261.344 3.105 50 0 CGAALP C[NH+]1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000097038883 370216392 /nfs/dbraw/zinc/21/63/92/370216392.db2.gz PWQZHWPKLUEHDD-UHFFFAOYSA-N 2 2 280.362 3.028 50 0 CGAALP c1c2ccccc2oc1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097731806 370251265 /nfs/dbraw/zinc/25/12/65/370251265.db2.gz NUFLKVBVISJCSQ-UHFFFAOYSA-N 2 2 295.386 3.298 50 0 CGAALP COc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000670435734 543154660 /nfs/dbraw/zinc/15/46/60/543154660.db2.gz KFGXZNBECYPRDJ-ICTCPBKTSA-N 2 2 297.402 3.311 50 0 CGAALP COc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000670435734 543154662 /nfs/dbraw/zinc/15/46/62/543154662.db2.gz KFGXZNBECYPRDJ-ICTCPBKTSA-N 2 2 297.402 3.311 50 0 CGAALP C[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004989188 170049830 /nfs/dbraw/zinc/04/98/30/170049830.db2.gz AJOBIHBUWYBCQT-INIZCTEOSA-N 2 2 272.436 3.383 50 0 CGAALP C[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000004989188 170049832 /nfs/dbraw/zinc/04/98/32/170049832.db2.gz AJOBIHBUWYBCQT-INIZCTEOSA-N 2 2 272.436 3.383 50 0 CGAALP CC(C)(C)c1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000097915400 526791160 /nfs/dbraw/zinc/79/11/60/526791160.db2.gz PXOOYHFTBVTTDY-INIZCTEOSA-N 2 2 260.425 3.470 50 0 CGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1Cc2ccccc2C1 ZINC000037156799 369072756 /nfs/dbraw/zinc/07/27/56/369072756.db2.gz IQMJACVRPBEKJS-KRWDZBQOSA-N 2 2 283.419 3.055 50 0 CGAALP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000054991732 369508777 /nfs/dbraw/zinc/50/87/77/369508777.db2.gz DIZFJFYXJSRSAQ-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000054991732 369508783 /nfs/dbraw/zinc/50/87/83/369508783.db2.gz DIZFJFYXJSRSAQ-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP CC(C)=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055358790 369515120 /nfs/dbraw/zinc/51/51/20/369515120.db2.gz NFTRCXUCXCXOJQ-UHFFFAOYSA-N 2 2 284.407 3.137 50 0 CGAALP CC(C)=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055358790 369515124 /nfs/dbraw/zinc/51/51/24/369515124.db2.gz NFTRCXUCXCXOJQ-UHFFFAOYSA-N 2 2 284.407 3.137 50 0 CGAALP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644643 370153661 /nfs/dbraw/zinc/15/36/61/370153661.db2.gz VUYHCFRHTOSXFK-BXUZGUMPSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000093644643 370153666 /nfs/dbraw/zinc/15/36/66/370153666.db2.gz VUYHCFRHTOSXFK-BXUZGUMPSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644643 370153669 /nfs/dbraw/zinc/15/36/69/370153669.db2.gz VUYHCFRHTOSXFK-BXUZGUMPSA-N 2 2 284.806 3.394 50 0 CGAALP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)ccc2F)CC[NH+]1C ZINC000093644643 370153673 /nfs/dbraw/zinc/15/36/73/370153673.db2.gz VUYHCFRHTOSXFK-BXUZGUMPSA-N 2 2 284.806 3.394 50 0 CGAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)n1C ZINC000097602160 370248567 /nfs/dbraw/zinc/24/85/67/370248567.db2.gz MHXQYAXOQHVZRB-INIZCTEOSA-N 2 2 269.392 3.108 50 0 CGAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)n1C ZINC000097602160 370248569 /nfs/dbraw/zinc/24/85/69/370248569.db2.gz MHXQYAXOQHVZRB-INIZCTEOSA-N 2 2 269.392 3.108 50 0 CGAALP c1coc(CCC[N@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)c1 ZINC000299787011 373612627 /nfs/dbraw/zinc/61/26/27/373612627.db2.gz SOOCTIZNVQULIX-DLBZAZTESA-N 2 2 288.435 3.018 50 0 CGAALP c1coc(CCC[N@@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)c1 ZINC000299787011 373612629 /nfs/dbraw/zinc/61/26/29/373612629.db2.gz SOOCTIZNVQULIX-DLBZAZTESA-N 2 2 288.435 3.018 50 0 CGAALP c1coc(CCC[NH+]2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1 ZINC000299787011 373612631 /nfs/dbraw/zinc/61/26/31/373612631.db2.gz SOOCTIZNVQULIX-DLBZAZTESA-N 2 2 288.435 3.018 50 0 CGAALP c1coc(CCC[NH+]2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c1 ZINC000299787011 373612634 /nfs/dbraw/zinc/61/26/34/373612634.db2.gz SOOCTIZNVQULIX-DLBZAZTESA-N 2 2 288.435 3.018 50 0 CGAALP CCC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850467 375793889 /nfs/dbraw/zinc/79/38/89/375793889.db2.gz RTGXLNOPCGDEMK-UKRRQHHQSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850467 375793891 /nfs/dbraw/zinc/79/38/91/375793891.db2.gz RTGXLNOPCGDEMK-UKRRQHHQSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000192850467 375793893 /nfs/dbraw/zinc/79/38/93/375793893.db2.gz RTGXLNOPCGDEMK-UKRRQHHQSA-N 2 2 295.496 3.394 50 0 CGAALP CCC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000192850467 375793897 /nfs/dbraw/zinc/79/38/97/375793897.db2.gz RTGXLNOPCGDEMK-UKRRQHHQSA-N 2 2 295.496 3.394 50 0 CGAALP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929864 376155229 /nfs/dbraw/zinc/15/52/29/376155229.db2.gz OTCDKPNVYFFOHO-OAHLLOKOSA-N 2 2 282.815 3.241 50 0 CGAALP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929864 376155234 /nfs/dbraw/zinc/15/52/34/376155234.db2.gz OTCDKPNVYFFOHO-OAHLLOKOSA-N 2 2 282.815 3.241 50 0 CGAALP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929864 376155238 /nfs/dbraw/zinc/15/52/38/376155238.db2.gz OTCDKPNVYFFOHO-OAHLLOKOSA-N 2 2 282.815 3.241 50 0 CGAALP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)o3)C2)C1 ZINC000215929864 376155245 /nfs/dbraw/zinc/15/52/45/376155245.db2.gz OTCDKPNVYFFOHO-OAHLLOKOSA-N 2 2 282.815 3.241 50 0 CGAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000221828609 376221350 /nfs/dbraw/zinc/22/13/50/376221350.db2.gz DTADJRWVIXJONH-HZPDHXFCSA-N 2 2 273.424 3.031 50 0 CGAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000221828609 376221357 /nfs/dbraw/zinc/22/13/57/376221357.db2.gz DTADJRWVIXJONH-HZPDHXFCSA-N 2 2 273.424 3.031 50 0 CGAALP c1ccc(C[NH2+]CC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228068610 393019168 /nfs/dbraw/zinc/01/91/68/393019168.db2.gz ZJSKXUTVCJROCT-IAGOWNOFSA-N 2 2 258.409 3.041 50 0 CGAALP c1ccc(C[NH2+]CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228068610 393019172 /nfs/dbraw/zinc/01/91/72/393019172.db2.gz ZJSKXUTVCJROCT-IAGOWNOFSA-N 2 2 258.409 3.041 50 0 CGAALP Clc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1Cl ZINC000020126725 171011046 /nfs/dbraw/zinc/01/10/46/171011046.db2.gz VVLFUMKYXMNTGR-UHFFFAOYSA-N 2 2 273.207 3.179 50 0 CGAALP Cc1cn2c3ccccc3n(CC[NH+]3CCCCC3)c2[nH+]1 ZINC000000447980 274824663 /nfs/dbraw/zinc/82/46/63/274824663.db2.gz MVQNIIXHBSZQMP-UHFFFAOYSA-N 2 2 282.391 3.083 50 0 CGAALP C[NH2+][C@H](CC[NH+]1CCCC1)c1ccccc1Cl ZINC000002580968 277041625 /nfs/dbraw/zinc/04/16/25/277041625.db2.gz KHFGTAUHOXBKHC-CQSZACIVSA-N 2 2 252.789 3.086 50 0 CGAALP c1cn(-c2ncccc2C[NH2+]C2CCCCCCC2)c[nH+]1 ZINC000012304043 526527287 /nfs/dbraw/zinc/52/72/87/526527287.db2.gz WMYPWIMJNNVHRR-UHFFFAOYSA-N 2 2 284.407 3.470 50 0 CGAALP C[C@@H](c1ccc(-c2cc[nH+]c(N)c2)cc1)[NH+]1CCCC1 ZINC000216460575 570305556 /nfs/dbraw/zinc/30/55/56/570305556.db2.gz ODJWYOMDVPBVAV-ZDUSSCGKSA-N 2 2 267.376 3.488 50 0 CGAALP C[C@H](C[C@H](C)SC1CCCC1)[NH2+]CCn1cc[nH+]c1 ZINC000888098164 619260108 /nfs/dbraw/zinc/26/01/08/619260108.db2.gz CBSLIQLVFRXLFQ-KGLIPLIRSA-N 2 2 281.469 3.316 50 0 CGAALP Cc1ccc(OC[C@H]2CCC[N@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC001529186467 938071622 /nfs/dbraw/zinc/07/16/22/938071622.db2.gz FWUYOPRJHIVUNC-INIZCTEOSA-N 2 2 299.418 3.052 50 0 CGAALP Cc1ccc(OC[C@H]2CCC[N@@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC001529186467 938071623 /nfs/dbraw/zinc/07/16/23/938071623.db2.gz FWUYOPRJHIVUNC-INIZCTEOSA-N 2 2 299.418 3.052 50 0 CGAALP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC000065421558 369675754 /nfs/dbraw/zinc/67/57/54/369675754.db2.gz GWXGCTKMZKGZBP-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC000065421558 369675761 /nfs/dbraw/zinc/67/57/61/369675761.db2.gz GWXGCTKMZKGZBP-UHFFFAOYSA-N 2 2 295.430 3.178 50 0 CGAALP C[N@@H+]1CCC[C@H]1CCn1cc[nH+]c1C1CCCCC1 ZINC000067954940 369737395 /nfs/dbraw/zinc/73/73/95/369737395.db2.gz XSWCFUAPNRYTKN-HNNXBMFYSA-N 2 2 261.413 3.415 50 0 CGAALP C[N@H+]1CCC[C@H]1CCn1cc[nH+]c1C1CCCCC1 ZINC000067954940 369737399 /nfs/dbraw/zinc/73/73/99/369737399.db2.gz XSWCFUAPNRYTKN-HNNXBMFYSA-N 2 2 261.413 3.415 50 0 CGAALP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)cc1F ZINC000072427001 369819179 /nfs/dbraw/zinc/81/91/79/369819179.db2.gz JTNRNHPRSYEVKD-HNNXBMFYSA-N 2 2 294.414 3.141 50 0 CGAALP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)cc1F ZINC000072427001 369819182 /nfs/dbraw/zinc/81/91/82/369819182.db2.gz JTNRNHPRSYEVKD-HNNXBMFYSA-N 2 2 294.414 3.141 50 0 CGAALP CCc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)on1 ZINC000072475178 369820551 /nfs/dbraw/zinc/82/05/51/369820551.db2.gz YTAMBMBUOZUICS-MRXNPFEDSA-N 2 2 291.439 3.077 50 0 CGAALP CCc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)on1 ZINC000072475178 369820553 /nfs/dbraw/zinc/82/05/53/369820553.db2.gz YTAMBMBUOZUICS-MRXNPFEDSA-N 2 2 291.439 3.077 50 0 CGAALP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000075568107 369913779 /nfs/dbraw/zinc/91/37/79/369913779.db2.gz IDCJEKMHGSNAPM-GOSISDBHSA-N 2 2 296.414 3.059 50 0 CGAALP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000075568107 369913782 /nfs/dbraw/zinc/91/37/82/369913782.db2.gz IDCJEKMHGSNAPM-GOSISDBHSA-N 2 2 296.414 3.059 50 0 CGAALP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000536649116 376109699 /nfs/dbraw/zinc/10/96/99/376109699.db2.gz BKJODGWJLAIIOT-LBPRGKRZSA-N 2 2 275.421 3.413 50 0 CGAALP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000536649116 376109707 /nfs/dbraw/zinc/10/97/07/376109707.db2.gz BKJODGWJLAIIOT-LBPRGKRZSA-N 2 2 275.421 3.413 50 0 CGAALP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCOc3ccccc31)CCCC2 ZINC000367439759 296646921 /nfs/dbraw/zinc/64/69/21/296646921.db2.gz WURCYIZFGYQQAI-MRXNPFEDSA-N 2 2 297.402 3.223 50 0 CGAALP CCCCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000016663070 641016321 /nfs/dbraw/zinc/01/63/21/641016321.db2.gz MMHVUSNUHKXENO-UHFFFAOYSA-N 2 2 290.451 3.392 50 0 CGAALP CCCCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000016663070 641016326 /nfs/dbraw/zinc/01/63/26/641016326.db2.gz MMHVUSNUHKXENO-UHFFFAOYSA-N 2 2 290.451 3.392 50 0 CGAALP CC[N@H+](C)C[C@@H](C)Cn1c[nH+]c(-c2ccccc2)c1C ZINC000065431149 798907490 /nfs/dbraw/zinc/90/74/90/798907490.db2.gz RTDFOVBRQJDSEA-CQSZACIVSA-N 2 2 271.408 3.446 50 0 CGAALP CC[N@@H+](C)C[C@@H](C)Cn1c[nH+]c(-c2ccccc2)c1C ZINC000065431149 798907495 /nfs/dbraw/zinc/90/74/95/798907495.db2.gz RTDFOVBRQJDSEA-CQSZACIVSA-N 2 2 271.408 3.446 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[N@H+](C)Cc1ccsc1 ZINC001506416385 937989834 /nfs/dbraw/zinc/98/98/34/937989834.db2.gz ATPVIFNLIQGFTO-LBPRGKRZSA-N 2 2 263.410 3.028 50 0 CGAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001506416385 937989835 /nfs/dbraw/zinc/98/98/35/937989835.db2.gz ATPVIFNLIQGFTO-LBPRGKRZSA-N 2 2 263.410 3.028 50 0 CGAALP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c2ccccc2n1 ZINC000096490552 230382482 /nfs/dbraw/zinc/38/24/82/230382482.db2.gz AVBBBFGWWKOMCB-UHFFFAOYSA-N 2 2 294.402 3.262 50 0 CGAALP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c2ccccc2n1 ZINC000096490552 230382483 /nfs/dbraw/zinc/38/24/83/230382483.db2.gz AVBBBFGWWKOMCB-UHFFFAOYSA-N 2 2 294.402 3.262 50 0 CGAALP Cc1ccsc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351546965 219122855 /nfs/dbraw/zinc/12/28/55/219122855.db2.gz UWXZBDUYOAHISQ-UHFFFAOYSA-N 2 2 284.388 3.308 50 0 CGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000072274484 345407985 /nfs/dbraw/zinc/40/79/85/345407985.db2.gz CYMFWTIYFNNGRB-YJBOKZPZSA-N 2 2 281.403 3.007 50 0 CGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000072274484 345407988 /nfs/dbraw/zinc/40/79/88/345407988.db2.gz CYMFWTIYFNNGRB-YJBOKZPZSA-N 2 2 281.403 3.007 50 0 CGAALP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1C ZINC000195558117 346273958 /nfs/dbraw/zinc/27/39/58/346273958.db2.gz MBLBOWYKHTVRJV-HOCLYGCPSA-N 2 2 299.418 3.174 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000409421146 346605416 /nfs/dbraw/zinc/60/54/16/346605416.db2.gz PDOGVMSJWCXQFU-INIZCTEOSA-N 2 2 284.407 3.156 50 0 CGAALP Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CC[N@H+](CC(C)C)C1 ZINC000409421146 346605417 /nfs/dbraw/zinc/60/54/17/346605417.db2.gz PDOGVMSJWCXQFU-INIZCTEOSA-N 2 2 284.407 3.156 50 0 CGAALP Cc1c[nH+]ccc1CC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000585141055 346725347 /nfs/dbraw/zinc/72/53/47/346725347.db2.gz OJXJZDPCDYMMDH-UHFFFAOYSA-N 2 2 285.322 3.003 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2c1CCCC2 ZINC000067472636 369717464 /nfs/dbraw/zinc/71/74/64/369717464.db2.gz LQKDXHHYFXFWKN-GFCCVEGCSA-N 2 2 275.421 3.002 50 0 CGAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)o1)CCC2 ZINC000089702126 370046746 /nfs/dbraw/zinc/04/67/46/370046746.db2.gz QUNJXDJNQZHLNB-NSHDSACASA-N 2 2 279.771 3.105 50 0 CGAALP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000095369371 370179590 /nfs/dbraw/zinc/17/95/90/370179590.db2.gz HXEGVPBMCVUXCG-LBPRGKRZSA-N 2 2 266.816 3.427 50 0 CGAALP COC[C@H]1CCC[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000097660341 370249915 /nfs/dbraw/zinc/24/99/15/370249915.db2.gz IFIRYSVJQAOZQX-HNNXBMFYSA-N 2 2 291.439 3.001 50 0 CGAALP CCc1[nH+]ccn1CC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000244852792 376799420 /nfs/dbraw/zinc/79/94/20/376799420.db2.gz UZAQQMLLGKWIPZ-UHFFFAOYSA-N 2 2 294.402 3.126 50 0 CGAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1ccc2ncccc2c1 ZINC000244852792 376799413 /nfs/dbraw/zinc/79/94/13/376799413.db2.gz UZAQQMLLGKWIPZ-UHFFFAOYSA-N 2 2 294.402 3.126 50 0 CGAALP Oc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000058203389 327010426 /nfs/dbraw/zinc/01/04/26/327010426.db2.gz ULXMFQVWBLJWAL-UHFFFAOYSA-N 2 2 297.333 3.007 50 0 CGAALP CC1(C)C[C@H](C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000952872486 800686441 /nfs/dbraw/zinc/68/64/41/800686441.db2.gz OKMSVPUURWOEIJ-OAHLLOKOSA-N 2 2 299.418 3.167 50 0 CGAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000089725149 345773633 /nfs/dbraw/zinc/77/36/33/345773633.db2.gz JZWZTZAIRSISJZ-HNNXBMFYSA-N 2 2 298.434 3.243 50 0 CGAALP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000180029853 189233030 /nfs/dbraw/zinc/23/30/30/189233030.db2.gz PAKODKXVPYMPBT-UHFFFAOYSA-N 2 2 264.388 3.097 50 0 CGAALP [NH3+]CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000022917467 368814278 /nfs/dbraw/zinc/81/42/78/368814278.db2.gz FTVSEGQKCYXAEW-OAHLLOKOSA-N 2 2 278.758 3.117 50 0 CGAALP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037157028 369073172 /nfs/dbraw/zinc/07/31/72/369073172.db2.gz GBXPNBYOJDOGAV-GHMZBOCLSA-N 2 2 281.762 3.415 50 0 CGAALP Fc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067789460 369729243 /nfs/dbraw/zinc/72/92/43/369729243.db2.gz PRNSEIHSSWBGBF-HNNXBMFYSA-N 2 2 282.790 3.055 50 0 CGAALP Fc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067789460 369729253 /nfs/dbraw/zinc/72/92/53/369729253.db2.gz PRNSEIHSSWBGBF-HNNXBMFYSA-N 2 2 282.790 3.055 50 0 CGAALP CSCC[C@H](C)[NH2+]CCc1[nH]c2c(cccc2C)[nH+]1 ZINC000067786532 369729307 /nfs/dbraw/zinc/72/93/07/369729307.db2.gz QHKZTUQLCAEFCL-LBPRGKRZSA-N 2 2 277.437 3.145 50 0 CGAALP CSCC[C@H](C)[NH2+]CCc1[nH]c2cccc(C)c2[nH+]1 ZINC000067786532 369729312 /nfs/dbraw/zinc/72/93/12/369729312.db2.gz QHKZTUQLCAEFCL-LBPRGKRZSA-N 2 2 277.437 3.145 50 0 CGAALP c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000067843402 369731933 /nfs/dbraw/zinc/73/19/33/369731933.db2.gz RGGLDJMARVAQGW-MRXNPFEDSA-N 2 2 281.403 3.283 50 0 CGAALP c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C2CC2)[nH+]1 ZINC000067843402 369731936 /nfs/dbraw/zinc/73/19/36/369731936.db2.gz RGGLDJMARVAQGW-MRXNPFEDSA-N 2 2 281.403 3.283 50 0 CGAALP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000075568113 369913621 /nfs/dbraw/zinc/91/36/21/369913621.db2.gz IDCJEKMHGSNAPM-SFHVURJKSA-N 2 2 296.414 3.059 50 0 CGAALP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000075568113 369913623 /nfs/dbraw/zinc/91/36/23/369913623.db2.gz IDCJEKMHGSNAPM-SFHVURJKSA-N 2 2 296.414 3.059 50 0 CGAALP CSCc1ccc(N2CCC([C@@H](C)[NH+](C)C)CC2)[nH+]c1 ZINC000082139044 369999862 /nfs/dbraw/zinc/99/98/62/369999862.db2.gz HFVMDLLGICYBBV-CYBMUJFWSA-N 2 2 293.480 3.111 50 0 CGAALP COc1ccccc1C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000083877898 370009745 /nfs/dbraw/zinc/00/97/45/370009745.db2.gz ABDCZYLRRPPCCH-INIZCTEOSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000083877898 370009747 /nfs/dbraw/zinc/00/97/47/370009747.db2.gz ABDCZYLRRPPCCH-INIZCTEOSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000083877898 370009749 /nfs/dbraw/zinc/00/97/49/370009749.db2.gz ABDCZYLRRPPCCH-INIZCTEOSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000083877898 370009750 /nfs/dbraw/zinc/00/97/50/370009750.db2.gz ABDCZYLRRPPCCH-INIZCTEOSA-N 2 2 288.435 3.144 50 0 CGAALP COc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812828 370103392 /nfs/dbraw/zinc/10/33/92/370103392.db2.gz UENOCMMTXXMQKC-HNNXBMFYSA-N 2 2 297.402 3.024 50 0 CGAALP COc1ccccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812828 370103398 /nfs/dbraw/zinc/10/33/98/370103398.db2.gz UENOCMMTXXMQKC-HNNXBMFYSA-N 2 2 297.402 3.024 50 0 CGAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000097553372 370245601 /nfs/dbraw/zinc/24/56/01/370245601.db2.gz QKWWQGQPBFUCCH-OAHLLOKOSA-N 2 2 255.365 3.098 50 0 CGAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000097553372 370245605 /nfs/dbraw/zinc/24/56/05/370245605.db2.gz QKWWQGQPBFUCCH-OAHLLOKOSA-N 2 2 255.365 3.098 50 0 CGAALP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000106409891 370351734 /nfs/dbraw/zinc/35/17/34/370351734.db2.gz NWQYBXQQZGRXQW-UHFFFAOYSA-N 2 2 299.393 3.288 50 0 CGAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000091315045 541966764 /nfs/dbraw/zinc/96/67/64/541966764.db2.gz JPGICUGNYWXNDE-WMZOPIPTSA-N 2 2 281.403 3.247 50 0 CGAALP Clc1ccc(CC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000241316952 376779078 /nfs/dbraw/zinc/77/90/78/376779078.db2.gz LWJQCZZRRJJSKL-INIZCTEOSA-N 2 2 289.810 3.244 50 0 CGAALP Clc1ccc(CC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000241316952 376779083 /nfs/dbraw/zinc/77/90/83/376779083.db2.gz LWJQCZZRRJJSKL-INIZCTEOSA-N 2 2 289.810 3.244 50 0 CGAALP COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000670435735 543154323 /nfs/dbraw/zinc/15/43/23/543154323.db2.gz KFGXZNBECYPRDJ-WPTTZPOMSA-N 2 2 297.402 3.311 50 0 CGAALP COc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000670435735 543154326 /nfs/dbraw/zinc/15/43/26/543154326.db2.gz KFGXZNBECYPRDJ-WPTTZPOMSA-N 2 2 297.402 3.311 50 0 CGAALP C[C@H](C[C@H](C)[NH2+]CCn1cc[nH+]c1)SC1CCCC1 ZINC000888098165 619259940 /nfs/dbraw/zinc/25/99/40/619259940.db2.gz CBSLIQLVFRXLFQ-UONOGXRCSA-N 2 2 281.469 3.316 50 0 CGAALP