smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H]1CCC[C@H]([C@@H]([NH2+]CCO[Si](C)(C)C(C)(C)C)C(=O)[O-])C1 ZINC001599110045 997549982 /nfs/dbraw/zinc/54/99/82/997549982.db2.gz URKIHSFPBRSXGJ-RRFJBIMHSA-N 0 0 345.556 3.256 20 50 EGGDRN Cc1ccc(F)c(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826289312 608214745 /nfs/dbraw/zinc/21/47/45/608214745.db2.gz VCHZVJFSWAJQKP-OQLLNIDSSA-N 0 0 333.326 3.104 20 50 EGGDRN Cc1cc(C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)ccc1[N+](=O)[O-] ZINC000826261828 608387117 /nfs/dbraw/zinc/38/71/17/608387117.db2.gz UHQMCFWEMZOBQS-WZUFQYTHSA-N 0 0 338.352 3.209 20 50 EGGDRN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822009955 945916733 /nfs/dbraw/zinc/91/67/33/945916733.db2.gz IBTNKAHMWXIUAM-DHZHZOJOSA-N 0 0 344.334 3.039 20 50 EGGDRN Cc1cc(C)cc(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000822196755 945983322 /nfs/dbraw/zinc/98/33/22/945983322.db2.gz VZNUIEJLCHVTMX-MLPAPPSSSA-N 0 0 335.392 3.335 20 50 EGGDRN Cc1nc(C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2F)sc1C ZINC000822424228 946087159 /nfs/dbraw/zinc/08/71/59/946087159.db2.gz URERZUHJEQAVCP-LFYBBSHMSA-N 0 0 326.360 3.143 20 50 EGGDRN O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OCCCCl)cc1 ZINC000901778112 980508548 /nfs/dbraw/zinc/50/85/48/980508548.db2.gz FDVKJDISPZOJOR-GFCCVEGCSA-N 0 0 339.741 3.190 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@H]1CC[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC001590451289 990012003 /nfs/dbraw/zinc/01/20/03/990012003.db2.gz IDPJLYQZMHQJFJ-HNNXBMFYSA-N 0 0 336.508 3.376 20 50 EGGDRN C[C@]1(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2)C[C@H]1Br ZINC001594027444 997576064 /nfs/dbraw/zinc/57/60/64/997576064.db2.gz TXOHOKBQNIYLCP-NTZNESFSSA-N 0 0 332.625 3.229 20 50 EGGDRN CCC[C@@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825232333 608750234 /nfs/dbraw/zinc/75/02/34/608750234.db2.gz GKBIDVPLWQZAIX-KRWDZBQOSA-N 0 0 348.410 3.166 20 50 EGGDRN CC(C)(C)[Si](C)(C)OCC[NH2+][C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001590451850 990016139 /nfs/dbraw/zinc/01/61/39/990016139.db2.gz UMLDXQFZBXLRKJ-CQSZACIVSA-N 0 0 325.481 3.129 20 50 EGGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@@H](C(=O)[O-])c1ccccc1Br ZINC001594190604 998741110 /nfs/dbraw/zinc/74/11/10/998741110.db2.gz JYHMBMINJUXKRZ-MGCVSALHSA-N 0 0 332.625 3.038 20 50 EGGDRN Cc1cc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000826261504 608387111 /nfs/dbraw/zinc/38/71/11/608387111.db2.gz IEOBUWNUVFOUIN-OQLLNIDSSA-N 0 0 332.323 3.148 20 50 EGGDRN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC001573710166 959843990 /nfs/dbraw/zinc/84/39/90/959843990.db2.gz AMZFCJBSVIKHER-HIFRSBDPSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@@]1(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])C[C@H]1Br ZINC001594026977 997566949 /nfs/dbraw/zinc/56/69/49/997566949.db2.gz VJGPSDMYCRECGY-DOMZBBRYSA-N 0 0 337.217 3.129 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3ccc(F)c(-c4nn[nH]n4)c3)nc21 ZINC000826304712 608880534 /nfs/dbraw/zinc/88/05/34/608880534.db2.gz VOZIGIKIPXPGEJ-GHXNOFRVSA-N 0 0 345.341 3.255 20 50 EGGDRN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC000902008727 980686982 /nfs/dbraw/zinc/68/69/82/980686982.db2.gz QVVQKJQBOPPHEX-PVAVHDDUSA-N 0 0 337.847 3.379 20 50 EGGDRN C[C@@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1 ZINC000902017716 980695285 /nfs/dbraw/zinc/69/52/85/980695285.db2.gz RKVDYAQFWIFRLL-CZUORRHYSA-N 0 0 325.836 3.379 20 50 EGGDRN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103544 998137363 /nfs/dbraw/zinc/13/73/63/998137363.db2.gz YWRYXODUQJCPAV-UONOGXRCSA-N 0 0 341.524 3.230 20 50 EGGDRN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103543 998138305 /nfs/dbraw/zinc/13/83/05/998138305.db2.gz YWRYXODUQJCPAV-KGLIPLIRSA-N 0 0 341.524 3.230 20 50 EGGDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCCCCl)cc1 ZINC000901570355 956343005 /nfs/dbraw/zinc/34/30/05/956343005.db2.gz PSOLPLCUDFEMGR-GOSISDBHSA-N 0 0 347.842 3.480 20 50 EGGDRN CC(C)(C)[Si](C)(C)OC1(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001588739495 961152487 /nfs/dbraw/zinc/15/24/87/961152487.db2.gz RKZJJZGRYWDWKY-OKILXGFUSA-N 0 0 343.540 3.010 20 50 EGGDRN O=C([O-])C1(C[NH2+]Cc2ccc(OCCCCl)cc2)CCCC1 ZINC000901679283 980442328 /nfs/dbraw/zinc/44/23/28/980442328.db2.gz XIONZWNNASQRGQ-UHFFFAOYSA-N 0 0 325.836 3.429 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC001590451292 990011891 /nfs/dbraw/zinc/01/18/91/990011891.db2.gz IDPJLYQZMHQJFJ-OAHLLOKOSA-N 0 0 336.508 3.376 20 50 EGGDRN C[C@]1(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2)C[C@@H]1Br ZINC001594027442 997576209 /nfs/dbraw/zinc/57/62/09/997576209.db2.gz TXOHOKBQNIYLCP-GMXVVIOVSA-N 0 0 332.625 3.229 20 50 EGGDRN CCCCC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000825266915 607353940 /nfs/dbraw/zinc/35/39/40/607353940.db2.gz IKAYGIIWKFOOSZ-OAHLLOKOSA-N 0 0 330.436 3.162 20 50 EGGDRN Cc1cc(C(C#N)=Cc2ccccc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826261638 608386897 /nfs/dbraw/zinc/38/68/97/608386897.db2.gz LWNQYPOYOCGPBT-NTEUORMPSA-N 0 0 332.323 3.148 20 50 EGGDRN CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735798054 944703136 /nfs/dbraw/zinc/70/31/36/944703136.db2.gz URWLCVXORHUARA-ZDUSSCGKSA-N 0 0 340.431 3.189 20 50 EGGDRN Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822196258 945980091 /nfs/dbraw/zinc/98/00/91/945980091.db2.gz BFHSWRHGBUKOBE-LZYBPNLTSA-N 0 0 347.353 3.413 20 50 EGGDRN C[C@@H]1C[N@H+](Cc2ccc(OCCCCl)cc2)CC[C@@H]1C(=O)[O-] ZINC000901891623 969487727 /nfs/dbraw/zinc/48/77/27/969487727.db2.gz PESOQLPQFTZCKQ-CJNGLKHVSA-N 0 0 325.836 3.237 20 50 EGGDRN C[C@H](CBr)C[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592212672 977269409 /nfs/dbraw/zinc/26/94/09/977269409.db2.gz TWEXGLJXCPRLAA-ZJUUUORDSA-N 0 0 347.278 3.052 20 50 EGGDRN CSc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826230311 608214739 /nfs/dbraw/zinc/21/47/39/608214739.db2.gz NIECYTZHWHDMNK-DHDCSXOGSA-N 0 0 347.403 3.378 20 50 EGGDRN Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822274666 946040994 /nfs/dbraw/zinc/04/09/94/946040994.db2.gz FCIMUYAVFSXMPU-XFFZJAGNSA-N 0 0 344.334 3.039 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)c1nc2cc(F)ccc2s1 ZINC000822796737 946187892 /nfs/dbraw/zinc/18/78/92/946187892.db2.gz XFCZZOGSLQKWSP-VMPITWQZSA-N 0 0 338.327 3.273 20 50 EGGDRN C[C@@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)C[C@H]1C(=O)[O-] ZINC001589354873 954117517 /nfs/dbraw/zinc/11/75/17/954117517.db2.gz FBXVRXGUTAYGRU-CZUORRHYSA-N 0 0 325.836 3.237 20 50 EGGDRN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CCO[Si](C)(C)C(C)(C)C)O1 ZINC001594099194 998094930 /nfs/dbraw/zinc/09/49/30/998094930.db2.gz ZWCGQYCWZJIXPO-ZDUSSCGKSA-N 0 0 329.513 3.088 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)C1CCCCC1 ZINC000822795462 946175270 /nfs/dbraw/zinc/17/52/70/946175270.db2.gz BFDPZZRVRBWALR-RIYZIHGNSA-N 0 0 325.347 3.062 20 50 EGGDRN CCC[C@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825234229 608750317 /nfs/dbraw/zinc/75/03/17/608750317.db2.gz XOZXFMLRKUWKQO-QGZVFWFLSA-N 0 0 348.410 3.166 20 50 EGGDRN CC(C)C(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000735685037 944691851 /nfs/dbraw/zinc/69/18/51/944691851.db2.gz ZLIBAQVVQFCPLN-UHFFFAOYSA-N 0 0 340.431 3.189 20 50 EGGDRN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC001573710170 959843384 /nfs/dbraw/zinc/84/33/84/959843384.db2.gz AMZFCJBSVIKHER-ZFWWWQNUSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001594188155 998730333 /nfs/dbraw/zinc/73/03/33/998730333.db2.gz QBVOOSVTWQJUMN-DUFXMDAXSA-N 0 0 346.652 3.209 20 50 EGGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001594188156 998730400 /nfs/dbraw/zinc/73/04/00/998730400.db2.gz QBVOOSVTWQJUMN-MRCXROJRSA-N 0 0 346.652 3.209 20 50 EGGDRN C[C@H]1[C@H](C[N@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)[C@H]1Cl ZINC001594188399 998731118 /nfs/dbraw/zinc/73/11/18/998731118.db2.gz QYUDXKXEFGCNEQ-WTFGDDLMSA-N 0 0 346.652 3.380 20 50 EGGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)C1CCCCC1 ZINC000826378784 608880225 /nfs/dbraw/zinc/88/02/25/608880225.db2.gz ADTWIWRPFPCTMM-MDWZMJQESA-N 0 0 325.347 3.062 20 50 EGGDRN C[C@H](NC=C(C#N)C#N)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824554154 609440933 /nfs/dbraw/zinc/44/09/33/609440933.db2.gz NERTUMDARXEJOH-ZDUSSCGKSA-N 0 0 341.378 3.115 20 50 EGGDRN CC(C)CC(CC(C)C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735761626 944699033 /nfs/dbraw/zinc/69/90/33/944699033.db2.gz OJQJDGFDOKTKJX-UHFFFAOYSA-N 0 0 328.420 3.045 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)c1nc2cc(F)ccc2s1 ZINC000822796738 946187178 /nfs/dbraw/zinc/18/71/78/946187178.db2.gz XFCZZOGSLQKWSP-YVMONPNESA-N 0 0 338.327 3.273 20 50 EGGDRN CC(C)CCCCC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001574195226 950978806 /nfs/dbraw/zinc/97/88/06/950978806.db2.gz JWJWJFPMONREIT-UHFFFAOYSA-N 0 0 336.827 3.180 20 50 EGGDRN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC001573710164 959844190 /nfs/dbraw/zinc/84/41/90/959844190.db2.gz AMZFCJBSVIKHER-DZGCQCFKSA-N 0 0 325.836 3.379 20 50 EGGDRN C=C(CBr)C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001588605937 983695636 /nfs/dbraw/zinc/69/56/36/983695636.db2.gz RNIPPCONMHLTBA-UHFFFAOYSA-N 0 0 348.187 3.193 20 50 EGGDRN COC1([C@@H](C(=O)[O-])[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)CCC1 ZINC001599083667 997054696 /nfs/dbraw/zinc/05/46/96/997054696.db2.gz XNFADKFFJFHJSE-UONOGXRCSA-N 0 0 343.540 3.105 20 50 EGGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC001594191433 998748618 /nfs/dbraw/zinc/74/86/18/998748618.db2.gz YDKZTWSWSDAIML-KOLSJAJHSA-N 0 0 332.625 3.110 20 50 EGGDRN CC(CCC1CCCCC1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735987349 944732687 /nfs/dbraw/zinc/73/26/87/944732687.db2.gz YYIGEJZESGITRB-UHFFFAOYSA-N 0 0 340.431 3.333 20 50 EGGDRN CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000821139451 945640724 /nfs/dbraw/zinc/64/07/24/945640724.db2.gz ZRIHWOFDCGUPEA-GXDHUFHOSA-N 0 0 333.351 3.202 20 50 EGGDRN Cc1ccc2c(c1)[nH]cc2C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822274667 946038969 /nfs/dbraw/zinc/03/89/69/946038969.db2.gz FCIMUYAVFSXMPU-YRNVUSSQSA-N 0 0 344.334 3.039 20 50 EGGDRN Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2F)c1C ZINC000822284302 946044263 /nfs/dbraw/zinc/04/42/63/946044263.db2.gz NXWJNEBGHHFZRL-OVCLIPMQSA-N 0 0 347.353 3.413 20 50 EGGDRN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC000901985774 980666413 /nfs/dbraw/zinc/66/64/13/980666413.db2.gz ZDTSCQKUIYUQJO-AWEZNQCLSA-N 0 0 343.876 3.086 20 50 EGGDRN C[C@@]1(C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)C[C@H]1Br ZINC001594026062 997550855 /nfs/dbraw/zinc/55/08/55/997550855.db2.gz BKYHHGQEDZRCAI-CJNGLKHVSA-N 0 0 349.228 3.196 20 50 EGGDRN N#CC(=Cc1cccc(Cl)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379379 608215971 /nfs/dbraw/zinc/21/59/71/608215971.db2.gz QJXOTBXZZRLGQG-VGOFMYFVSA-N 0 0 335.754 3.310 20 50 EGGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000826266276 608218696 /nfs/dbraw/zinc/21/86/96/608218696.db2.gz JKOLBWRLFDEKHK-OVCLIPMQSA-N 0 0 333.326 3.104 20 50 EGGDRN CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824391002 609516311 /nfs/dbraw/zinc/51/63/11/609516311.db2.gz GAQLCRGSWDIWJC-GFCCVEGCSA-N 0 0 328.420 3.045 20 50 EGGDRN CC1(C)CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC000824790825 609516930 /nfs/dbraw/zinc/51/69/30/609516930.db2.gz RTERVPZIAQBZQT-UHFFFAOYSA-N 0 0 340.431 3.189 20 50 EGGDRN CC(=NNC(=O)CCC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000735449479 944660075 /nfs/dbraw/zinc/66/00/75/944660075.db2.gz ZMWQCEHDHZCQPG-UHFFFAOYSA-N 0 0 340.431 3.067 20 50 EGGDRN CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735798105 944704017 /nfs/dbraw/zinc/70/40/17/944704017.db2.gz UZQDFFZHXIRSHY-CYBMUJFWSA-N 0 0 340.431 3.189 20 50 EGGDRN CC(C)[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736237053 944773617 /nfs/dbraw/zinc/77/36/17/944773617.db2.gz OFJRZNFWMRCMKA-WFASDCNBSA-N 0 0 340.431 3.045 20 50 EGGDRN Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822378590 946074703 /nfs/dbraw/zinc/07/47/03/946074703.db2.gz BUYIINMBWUBUSE-SDQBBNPISA-N 0 0 339.355 3.166 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC001590452162 990017554 /nfs/dbraw/zinc/01/75/54/990017554.db2.gz ZLGYNPCJXPQDLS-CQSZACIVSA-N 0 0 336.508 3.376 20 50 EGGDRN CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590452099 990017866 /nfs/dbraw/zinc/01/78/66/990017866.db2.gz XJVGEHJTIANRGJ-LBPRGKRZSA-N 0 0 340.496 3.359 20 50 EGGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001594188397 998731171 /nfs/dbraw/zinc/73/11/71/998731171.db2.gz QYUDXKXEFGCNEQ-MHNYQROPSA-N 0 0 346.652 3.380 20 50 EGGDRN N#CC(=Cc1cscc1Cl)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379137 608215347 /nfs/dbraw/zinc/21/53/47/608215347.db2.gz JYTHQVNXODZVMP-VZUCSPMQSA-N 0 0 341.783 3.371 20 50 EGGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H](C)C1CCCCC1 ZINC000819772631 945285276 /nfs/dbraw/zinc/28/52/76/945285276.db2.gz HSCAUDVUCVGLMA-LBPRGKRZSA-N 0 0 340.431 3.189 20 50 EGGDRN CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736237051 944773774 /nfs/dbraw/zinc/77/37/74/944773774.db2.gz OFJRZNFWMRCMKA-IUODEOHRSA-N 0 0 340.431 3.045 20 50 EGGDRN C[C@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)C[C@H]1C(=O)[O-] ZINC001589354874 954117464 /nfs/dbraw/zinc/11/74/64/954117464.db2.gz FBXVRXGUTAYGRU-XJKSGUPXSA-N 0 0 325.836 3.237 20 50 EGGDRN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC000902008729 980686819 /nfs/dbraw/zinc/68/68/19/980686819.db2.gz QVVQKJQBOPPHEX-UAGQMJEPSA-N 0 0 337.847 3.379 20 50 EGGDRN CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC001590452097 990017920 /nfs/dbraw/zinc/01/79/20/990017920.db2.gz XJVGEHJTIANRGJ-GFCCVEGCSA-N 0 0 340.496 3.359 20 50 EGGDRN C[C@H]1[C@H](C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)[C@H]1Cl ZINC001594190605 998741080 /nfs/dbraw/zinc/74/10/80/998741080.db2.gz JYHMBMINJUXKRZ-QZDOIJKTSA-N 0 0 332.625 3.038 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(Cl)s1 ZINC000826379413 948174116 /nfs/dbraw/zinc/17/41/16/948174116.db2.gz QWGKWYFBZXSIQS-YRNVUSSQSA-N 0 0 341.783 3.371 20 50 EGGDRN CCC[N@H+](CC(=O)[O-])CC1(O[Si](C)(C)C(C)(C)C)CCOCC1 ZINC001589669842 949930170 /nfs/dbraw/zinc/93/01/70/949930170.db2.gz QJYWSZWZMCJVGG-UHFFFAOYSA-N 0 0 345.556 3.354 20 50 EGGDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC001573710168 959844062 /nfs/dbraw/zinc/84/40/62/959844062.db2.gz AMZFCJBSVIKHER-UKRRQHHQSA-N 0 0 325.836 3.379 20 50 EGGDRN CC(C)(C)[Si](C)(C)OCC[NH2+][C@](C)(CC(=O)[O-])c1ccncc1 ZINC001592316954 977697008 /nfs/dbraw/zinc/69/70/08/977697008.db2.gz GIMMOSYVUYZSQW-QGZVFWFLSA-N 0 0 338.524 3.383 20 50 EGGDRN CCC[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825242335 607725940 /nfs/dbraw/zinc/72/59/40/607725940.db2.gz OHKYZAUYURCTJT-OAHLLOKOSA-N 0 0 342.447 3.306 20 50 EGGDRN Cc1ccc(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)s1 ZINC000822225174 946002557 /nfs/dbraw/zinc/00/25/57/946002557.db2.gz RDMXGQIYGWQJKF-RUDMXATFSA-N 0 0 327.394 3.088 20 50 EGGDRN C=C(CBr)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001588606312 983697234 /nfs/dbraw/zinc/69/72/34/983697234.db2.gz WJSGYCBATMCHJW-LBPRGKRZSA-N 0 0 348.624 3.015 20 50 EGGDRN Cc1cc(C(C#N)=Cc2ccccc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826261639 608387279 /nfs/dbraw/zinc/38/72/79/608387279.db2.gz LWNQYPOYOCGPBT-ZROIWOOFSA-N 0 0 332.323 3.148 20 50 EGGDRN Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)c1C ZINC000822284355 946044895 /nfs/dbraw/zinc/04/48/95/946044895.db2.gz PTYDIYMPOLXXSE-WQLSENKSSA-N 0 0 335.392 3.335 20 50 EGGDRN CC(C)(C)[Si](C)(C)OCC[NH2+][C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001592316945 977697244 /nfs/dbraw/zinc/69/72/44/977697244.db2.gz GIMMOSYVUYZSQW-KRWDZBQOSA-N 0 0 338.524 3.383 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1cc2ccccc2o1 ZINC000822795438 946173913 /nfs/dbraw/zinc/17/39/13/946173913.db2.gz ASZOCXJFCFADKZ-XFFZJAGNSA-N 0 0 347.359 3.464 20 50 EGGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(Cl)s1 ZINC000826379476 948173911 /nfs/dbraw/zinc/17/39/11/948173911.db2.gz SOLDWUMOHCBKOZ-CLTKARDFSA-N 0 0 347.812 3.433 20 50 EGGDRN CC1(C)CCC[C@@]([NH2+]C[C@@H](CBr)C2CC2)(C(=O)[O-])C1 ZINC001593896062 996751089 /nfs/dbraw/zinc/75/10/89/996751089.db2.gz PAFQFCPXPWJTOG-DOMZBBRYSA-N 0 0 332.282 3.421 20 50 EGGDRN C[C@@]1(C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1Br ZINC001594026936 997566105 /nfs/dbraw/zinc/56/61/05/997566105.db2.gz UDLYCMUTCDMVHD-AAEUAGOBSA-N 0 0 332.625 3.301 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3ccccc3-c3nn[nH]n3)nc21 ZINC000826304279 607884686 /nfs/dbraw/zinc/88/46/86/607884686.db2.gz FOFJPCKCNKUIAM-UKTHLTGXSA-N 0 0 327.351 3.116 20 50 EGGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1cccc(Cl)c1 ZINC000822796027 946180287 /nfs/dbraw/zinc/18/02/87/946180287.db2.gz KNLVBFDYRUQISM-YHYXMXQVSA-N 0 0 341.783 3.371 20 50 EGGDRN C=C(C)c1cccc(NC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001573295444 947020079 /nfs/dbraw/zinc/02/00/79/947020079.db2.gz RJZWKJVRCLIUKR-UHFFFAOYSA-N 0 0 335.371 3.048 20 50 EGGDRN C[C@]1(C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)C[C@@H]1Br ZINC001594026067 997550782 /nfs/dbraw/zinc/55/07/82/997550782.db2.gz BKYHHGQEDZRCAI-XJKSGUPXSA-N 0 0 349.228 3.196 20 50 EGGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001594188398 998730810 /nfs/dbraw/zinc/73/08/10/998730810.db2.gz QYUDXKXEFGCNEQ-OQCKYNKVSA-N 0 0 346.652 3.380 20 50 EGGDRN CCC(=CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1 ZINC000825027978 607720700 /nfs/dbraw/zinc/72/07/00/607720700.db2.gz BATQPHYLIRARKZ-OWBHPGMISA-N 0 0 348.410 3.112 20 50 EGGDRN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103545 998137916 /nfs/dbraw/zinc/13/79/16/998137916.db2.gz YWRYXODUQJCPAV-ZIAGYGMSSA-N 0 0 341.524 3.230 20 50 EGGDRN Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[nH]n2)c1C ZINC000826298676 607883746 /nfs/dbraw/zinc/88/37/46/607883746.db2.gz CIZBPCQFNHRXKH-GDNBJRDFSA-N 0 0 344.378 3.029 20 50 EGGDRN CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824391003 609515930 /nfs/dbraw/zinc/51/59/30/609515930.db2.gz GAQLCRGSWDIWJC-LBPRGKRZSA-N 0 0 328.420 3.045 20 50 EGGDRN C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC000901696939 980453516 /nfs/dbraw/zinc/45/35/16/980453516.db2.gz BHKSPVPPAJBPJN-QGZVFWFLSA-N 0 0 325.836 3.381 20 50 EGGDRN C[C@@]1(C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1Br ZINC001594026939 997565316 /nfs/dbraw/zinc/56/53/16/997565316.db2.gz UDLYCMUTCDMVHD-YPMHNXCESA-N 0 0 332.625 3.301 20 50 EGGDRN Cc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1C ZINC000826295754 608880149 /nfs/dbraw/zinc/88/01/49/608880149.db2.gz WRGBKIUPKDGMJB-RIYZIHGNSA-N 0 0 347.353 3.413 20 50 EGGDRN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822009956 945920222 /nfs/dbraw/zinc/92/02/22/945920222.db2.gz IBTNKAHMWXIUAM-FLIBITNWSA-N 0 0 344.334 3.039 20 50 EGGDRN CC1(C)CC(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC001575631899 950785810 /nfs/dbraw/zinc/78/58/10/950785810.db2.gz WZAYYDHCYSCAEG-UHFFFAOYSA-N 0 0 342.447 3.162 20 50 EGGDRN O=C([O-])C1CCC([NH2+]Cc2ccc(OCCCCl)cc2)CC1 ZINC000901604688 956369312 /nfs/dbraw/zinc/36/93/12/956369312.db2.gz XSYXUAJKQIJQJU-UHFFFAOYSA-N 0 0 325.836 3.427 20 50 EGGDRN Cc1cccc([C@@H]([NH2+]C[C@@H](CBr)C2CC2)C(=O)[O-])c1 ZINC001594397835 958788826 /nfs/dbraw/zinc/78/88/26/958788826.db2.gz NBXPQZZEKZHKOG-ZIAGYGMSSA-N 0 0 326.234 3.131 20 50 EGGDRN C[C@H]1C[N@H+](Cc2ccc(OCCCCl)cc2)CC[C@H]1C(=O)[O-] ZINC001603461499 973301468 /nfs/dbraw/zinc/30/14/68/973301468.db2.gz PESOQLPQFTZCKQ-XJKSGUPXSA-N 0 0 325.836 3.237 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001590452164 990017625 /nfs/dbraw/zinc/01/76/25/990017625.db2.gz ZOARWESXPIFFDX-HNNXBMFYSA-N 0 0 336.508 3.376 20 50 EGGDRN C[C@@H]1CCC[N@H+](Cc2ccc(OCCCCl)cc2)[C@H]1C(=O)[O-] ZINC001589334649 953982415 /nfs/dbraw/zinc/98/24/15/953982415.db2.gz RBQXDHITGNEXPM-CZUORRHYSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@H]1CCC[N@H+](Cc2ccc(OCCCCl)cc2)[C@H]1C(=O)[O-] ZINC001589334650 953982429 /nfs/dbraw/zinc/98/24/29/953982429.db2.gz RBQXDHITGNEXPM-XJKSGUPXSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@]1(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2)C[C@H]1Br ZINC001594027443 997576218 /nfs/dbraw/zinc/57/62/18/997576218.db2.gz TXOHOKBQNIYLCP-NQBHXWOUSA-N 0 0 332.625 3.229 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1ccc(Cl)cc1F ZINC000826379318 608288819 /nfs/dbraw/zinc/28/88/19/608288819.db2.gz OPZRYECLHYIJIM-VMPITWQZSA-N 0 0 343.705 3.042 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000822796274 946181672 /nfs/dbraw/zinc/18/16/72/946181672.db2.gz ONXCETXOGITUJU-YFHOEESVSA-N 0 0 346.375 3.199 20 50 EGGDRN C[C@H]1[C@H](C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)[C@H]1Cl ZINC001594191432 998748418 /nfs/dbraw/zinc/74/84/18/998748418.db2.gz YDKZTWSWSDAIML-JWYUURKGSA-N 0 0 332.625 3.110 20 50 EGGDRN CC[C@@H](C)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825074313 607350323 /nfs/dbraw/zinc/35/03/23/607350323.db2.gz FXNBVOIXAYAYQB-GFCCVEGCSA-N 0 0 336.399 3.137 20 50 EGGDRN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001589280355 953496867 /nfs/dbraw/zinc/49/68/67/953496867.db2.gz DIMLDKORIMXQEC-ZFWWWQNUSA-N 0 0 325.836 3.237 20 50 EGGDRN C=C(CBr)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588605668 983693966 /nfs/dbraw/zinc/69/39/66/983693966.db2.gz MOYBBGRYFQITJX-ZDUSSCGKSA-N 0 0 326.234 3.379 20 50 EGGDRN CO[C@@H]1CCC[C@H]([C@H]([NH2+]CCO[Si](C)(C)C(C)(C)C)C(=O)[O-])C1 ZINC001599110046 997550177 /nfs/dbraw/zinc/55/01/77/997550177.db2.gz URKIHSFPBRSXGJ-ZNMIVQPWSA-N 0 0 345.556 3.256 20 50 EGGDRN CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825649102 608216572 /nfs/dbraw/zinc/21/65/72/608216572.db2.gz LEBKDLXDDIVREJ-CXUHLZMHSA-N 0 0 345.362 3.055 20 50 EGGDRN N#CC(=CC=Cc1ccccc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379610 608217782 /nfs/dbraw/zinc/21/77/82/608217782.db2.gz WXUQTOMJLYGFJR-RFYPFHFPSA-N 0 0 327.347 3.213 20 50 EGGDRN Cc1cccc([C@@H]([NH2+]C[C@H](CBr)C2CC2)C(=O)[O-])c1 ZINC001594397834 958788586 /nfs/dbraw/zinc/78/85/86/958788586.db2.gz NBXPQZZEKZHKOG-UONOGXRCSA-N 0 0 326.234 3.131 20 50 EGGDRN C=C(CBr)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588605667 983694053 /nfs/dbraw/zinc/69/40/53/983694053.db2.gz MOYBBGRYFQITJX-CYBMUJFWSA-N 0 0 326.234 3.379 20 50 EGGDRN C[C@H]1[C@H](C[N@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)[C@H]1Cl ZINC001594188400 998730829 /nfs/dbraw/zinc/73/08/29/998730829.db2.gz QYUDXKXEFGCNEQ-ZBPZKIAKSA-N 0 0 346.652 3.380 20 50 EGGDRN CC(C)(CC(=O)[O-])CC(=O)NNc1ccnc2cc(Cl)ccc21 ZINC000833455724 605679147 /nfs/dbraw/zinc/67/91/47/605679147.db2.gz QPRCBRCURODUSC-UHFFFAOYSA-N 0 0 335.791 3.222 20 50 EGGDRN Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[nH]n2)c(C)c1 ZINC000826290325 607883695 /nfs/dbraw/zinc/88/36/95/607883695.db2.gz JPZXVXVFRJQVNI-GDNBJRDFSA-N 0 0 344.378 3.029 20 50 EGGDRN Cc1cc(C(C#N)=Cc2ccc(-c3nn[nH]n3)s2)ccc1[N+](=O)[O-] ZINC000826261765 608386679 /nfs/dbraw/zinc/38/66/79/608386679.db2.gz RBAMAVFUWUXGEU-YRNVUSSQSA-N 0 0 338.352 3.209 20 50 EGGDRN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC000902008726 980686918 /nfs/dbraw/zinc/68/69/18/980686918.db2.gz QVVQKJQBOPPHEX-OIISXLGYSA-N 0 0 337.847 3.379 20 50 EGGDRN CC1(C)CCC[C@]([NH2+]C[C@@H](CBr)C2CC2)(C(=O)[O-])C1 ZINC001593896063 996751078 /nfs/dbraw/zinc/75/10/78/996751078.db2.gz PAFQFCPXPWJTOG-IUODEOHRSA-N 0 0 332.282 3.421 20 50 EGGDRN CC(C)=CCCC(C)=CC=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735679869 944690207 /nfs/dbraw/zinc/69/02/07/944690207.db2.gz QEJKGYQNIRCFPJ-YLCOBTLKSA-N 0 0 338.415 3.275 20 50 EGGDRN CC(=CC1CCC(C)CC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC001573367316 947756780 /nfs/dbraw/zinc/75/67/80/947756780.db2.gz ZOCGZHWFCZKHEZ-RAXLEYEMSA-N 0 0 340.431 3.082 20 50 EGGDRN CC(C)(C)[Si](C)(C)OC1(C[NH2+]CCCCC(=O)[O-])CCOCC1 ZINC001602921264 971876698 /nfs/dbraw/zinc/87/66/98/971876698.db2.gz CDMRDZBEXOHRRF-UHFFFAOYSA-N 0 0 345.556 3.402 20 50 EGGDRN C=C(CBr)C[NH2+][C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588606378 983697589 /nfs/dbraw/zinc/69/75/89/983697589.db2.gz ZNFJWQUYIUMJIQ-CQSZACIVSA-N 0 0 330.197 3.056 20 50 EGGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC001594191434 998748541 /nfs/dbraw/zinc/74/85/41/998748541.db2.gz YDKZTWSWSDAIML-VIRWGQHYSA-N 0 0 332.625 3.110 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3cc(-c4nn[nH]n4)cs3)nc21 ZINC000822331326 946058509 /nfs/dbraw/zinc/05/85/09/946058509.db2.gz DNCJIABHZYHSCQ-YHYXMXQVSA-N 0 0 333.380 3.177 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@H+](Cc2oncc2C(=O)[O-])C1 ZINC001590451507 990014415 /nfs/dbraw/zinc/01/44/15/990014415.db2.gz MKHGGZXINPULEX-LBPRGKRZSA-N 0 0 340.496 3.359 20 50 EGGDRN CC(=CC1CCC(C)CC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC001573367315 947758096 /nfs/dbraw/zinc/75/80/96/947758096.db2.gz ZOCGZHWFCZKHEZ-JLHYYAGUSA-N 0 0 340.431 3.082 20 50 EGGDRN C=C(CBr)C[NH2+][C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588606377 983697731 /nfs/dbraw/zinc/69/77/31/983697731.db2.gz ZNFJWQUYIUMJIQ-AWEZNQCLSA-N 0 0 330.197 3.056 20 50 EGGDRN CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]CCO[Si](C)(C)C(C)(C)C)C(=O)[O-])C1 ZINC001599110044 997550742 /nfs/dbraw/zinc/55/07/42/997550742.db2.gz URKIHSFPBRSXGJ-RBSFLKMASA-N 0 0 345.556 3.256 20 50 EGGDRN CCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825704857 608218100 /nfs/dbraw/zinc/21/81/00/608218100.db2.gz OPTQCVDWWSDCQD-LCYFTJDESA-N 0 0 335.392 3.280 20 50 EGGDRN C[C@]1(C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1Br ZINC001594026937 997565838 /nfs/dbraw/zinc/56/58/38/997565838.db2.gz UDLYCMUTCDMVHD-DGCLKSJQSA-N 0 0 332.625 3.301 20 50 EGGDRN O=C(CCCC1CCCCC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406048 607336175 /nfs/dbraw/zinc/33/61/75/607336175.db2.gz FWMQHXRUTDLJKD-UHFFFAOYSA-N 0 0 328.420 3.060 20 50 EGGDRN Cc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1C ZINC000826295755 608880109 /nfs/dbraw/zinc/88/01/09/608880109.db2.gz WRGBKIUPKDGMJB-ZSOIEALJSA-N 0 0 347.353 3.413 20 50 EGGDRN C[C@]1(C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1Br ZINC001594026938 997565968 /nfs/dbraw/zinc/56/59/68/997565968.db2.gz UDLYCMUTCDMVHD-WCQYABFASA-N 0 0 332.625 3.301 20 50 EGGDRN Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822196259 945978992 /nfs/dbraw/zinc/97/89/92/945978992.db2.gz BFHSWRHGBUKOBE-PXNMLYILSA-N 0 0 347.353 3.413 20 50 EGGDRN C[C@@H](CBr)C[NH2+][C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001592210518 977254782 /nfs/dbraw/zinc/25/47/82/977254782.db2.gz FEVQQQNGDHIKSM-IINYFYTJSA-N 0 0 332.213 3.136 20 50 EGGDRN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC000901696936 980453549 /nfs/dbraw/zinc/45/35/49/980453549.db2.gz BHKSPVPPAJBPJN-KRWDZBQOSA-N 0 0 325.836 3.381 20 50 EGGDRN CC(C)[C@@H]1CCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000824213968 607964832 /nfs/dbraw/zinc/96/48/32/607964832.db2.gz DLOUCMKSEIOGAU-LRDDRELGSA-N 0 0 340.431 3.045 20 50 EGGDRN N#CC(=CC=Cc1ccccc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379609 608217889 /nfs/dbraw/zinc/21/78/89/608217889.db2.gz WXUQTOMJLYGFJR-BJXWFGTRSA-N 0 0 327.347 3.213 20 50 EGGDRN C[C@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)C[C@@H]1C(=O)[O-] ZINC001589354871 954117546 /nfs/dbraw/zinc/11/75/46/954117546.db2.gz FBXVRXGUTAYGRU-BBRMVZONSA-N 0 0 325.836 3.237 20 50 EGGDRN Cc1cccc([C@H]([NH2+]C[C@@H](CBr)C2CC2)C(=O)[O-])c1 ZINC001594397833 958789569 /nfs/dbraw/zinc/78/95/69/958789569.db2.gz NBXPQZZEKZHKOG-KGLIPLIRSA-N 0 0 326.234 3.131 20 50 EGGDRN C[C@]1(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])C[C@H]1Br ZINC001594026978 997566583 /nfs/dbraw/zinc/56/65/83/997566583.db2.gz VJGPSDMYCRECGY-IUODEOHRSA-N 0 0 337.217 3.129 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000822796273 946181543 /nfs/dbraw/zinc/18/15/43/946181543.db2.gz ONXCETXOGITUJU-JXMROGBWSA-N 0 0 346.375 3.199 20 50 EGGDRN C[C@@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1 ZINC000902017715 980695097 /nfs/dbraw/zinc/69/50/97/980695097.db2.gz RKVDYAQFWIFRLL-CJNGLKHVSA-N 0 0 325.836 3.379 20 50 EGGDRN CCCC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736409960 944815341 /nfs/dbraw/zinc/81/53/41/944815341.db2.gz IUOIUBMKTZLXLV-UHFFFAOYSA-N 0 0 340.431 3.333 20 50 EGGDRN C[C@@H](C[NH2+]Cc1nc(CO[Si](C)(C)C(C)(C)C)cs1)C(=O)[O-] ZINC001603193070 972296707 /nfs/dbraw/zinc/29/67/07/972296707.db2.gz HKXDLQZCLZHHHQ-NSHDSACASA-N 0 0 344.553 3.475 20 50 EGGDRN O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OCCCCl)cc1 ZINC000901778115 980508436 /nfs/dbraw/zinc/50/84/36/980508436.db2.gz FDVKJDISPZOJOR-LBPRGKRZSA-N 0 0 339.741 3.190 20 50 EGGDRN O=C([O-])[C@@H]1C[N@H+](Cc2ccc(OCCCCl)cc2)C[C@H]1C1CC1 ZINC000901902478 980616182 /nfs/dbraw/zinc/61/61/82/980616182.db2.gz FRWAWVPOAMLLBF-DLBZAZTESA-N 0 0 337.847 3.237 20 50 EGGDRN C=C(CBr)C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC001588606287 983696732 /nfs/dbraw/zinc/69/67/32/983696732.db2.gz VDKNGLYWLXKRJL-UHFFFAOYSA-N 0 0 326.234 3.305 20 50 EGGDRN CCCCCC[C@H](CC)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825271826 607348125 /nfs/dbraw/zinc/34/81/25/607348125.db2.gz ORIDNDUZVXFYFO-ZDUSSCGKSA-N 0 0 330.436 3.306 20 50 EGGDRN Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000822378679 946073728 /nfs/dbraw/zinc/07/37/28/946073728.db2.gz DCNUNJPKHBRZSF-RMKNXTFCSA-N 0 0 327.394 3.088 20 50 EGGDRN C[C@@]1(C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)C[C@@H]1Br ZINC001594026060 997550975 /nfs/dbraw/zinc/55/09/75/997550975.db2.gz BKYHHGQEDZRCAI-BBRMVZONSA-N 0 0 349.228 3.196 20 50 EGGDRN CC[C@@H](CC1CCCCC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825113783 607724280 /nfs/dbraw/zinc/72/42/80/607724280.db2.gz GCGZHASXOHLDAC-AWEZNQCLSA-N 0 0 342.447 3.306 20 50 EGGDRN CC(C)[C@H]1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000824216697 607964740 /nfs/dbraw/zinc/96/47/40/607964740.db2.gz VHDYAWOISMLMSW-MLGOLLRUSA-N 0 0 340.431 3.045 20 50 EGGDRN C[C@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1 ZINC000902017717 980695059 /nfs/dbraw/zinc/69/50/59/980695059.db2.gz RKVDYAQFWIFRLL-XJKSGUPXSA-N 0 0 325.836 3.379 20 50 EGGDRN CC(C)(C)[Si](C)(C)OCC[NH2+][C@H](C(=O)[O-])c1cccc(O)c1 ZINC001590451849 990016774 /nfs/dbraw/zinc/01/67/74/990016774.db2.gz UMLDXQFZBXLRKJ-AWEZNQCLSA-N 0 0 325.481 3.129 20 50 EGGDRN COC1([C@@H](C(=O)[O-])[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CCC1 ZINC001599083668 997054226 /nfs/dbraw/zinc/05/42/26/997054226.db2.gz XNFADKFFJFHJSE-ZIAGYGMSSA-N 0 0 343.540 3.105 20 50 EGGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001594188154 998730275 /nfs/dbraw/zinc/73/02/75/998730275.db2.gz QBVOOSVTWQJUMN-BHYNMZESSA-N 0 0 346.652 3.209 20 50 EGGDRN CCCCC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000825266913 607353957 /nfs/dbraw/zinc/35/39/57/607353957.db2.gz IKAYGIIWKFOOSZ-HNNXBMFYSA-N 0 0 330.436 3.162 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3)nc21 ZINC000737404693 945059826 /nfs/dbraw/zinc/05/98/26/945059826.db2.gz DLEADCODNRVIIF-NTEUORMPSA-N 0 0 327.351 3.116 20 50 EGGDRN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001589280352 953497144 /nfs/dbraw/zinc/49/71/44/953497144.db2.gz DIMLDKORIMXQEC-DZGCQCFKSA-N 0 0 325.836 3.237 20 50 EGGDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCCCCl)cc1 ZINC000901570357 956343174 /nfs/dbraw/zinc/34/31/74/956343174.db2.gz PSOLPLCUDFEMGR-SFHVURJKSA-N 0 0 347.842 3.480 20 50 EGGDRN C=C(CBr)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001588606311 983697272 /nfs/dbraw/zinc/69/72/72/983697272.db2.gz WJSGYCBATMCHJW-GFCCVEGCSA-N 0 0 348.624 3.015 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@H]1CC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC001590452161 990017305 /nfs/dbraw/zinc/01/73/05/990017305.db2.gz ZLGYNPCJXPQDLS-AWEZNQCLSA-N 0 0 336.508 3.376 20 50 EGGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC001594191431 998748264 /nfs/dbraw/zinc/74/82/64/998748264.db2.gz YDKZTWSWSDAIML-HNBZJPLGSA-N 0 0 332.625 3.110 20 50 EGGDRN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC000902008730 980686997 /nfs/dbraw/zinc/68/69/97/980686997.db2.gz QVVQKJQBOPPHEX-XIRDDKMYSA-N 0 0 337.847 3.379 20 50 EGGDRN CCC[C@@H](C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825234228 608750122 /nfs/dbraw/zinc/75/01/22/608750122.db2.gz XOZXFMLRKUWKQO-KRWDZBQOSA-N 0 0 348.410 3.166 20 50 EGGDRN C[C@@H]1C[N@H+](Cc2ccc(OCCCCl)cc2)CC[C@H]1C(=O)[O-] ZINC001603461494 973302513 /nfs/dbraw/zinc/30/25/13/973302513.db2.gz PESOQLPQFTZCKQ-CZUORRHYSA-N 0 0 325.836 3.237 20 50 EGGDRN COC1([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CCC1 ZINC001599083666 997054778 /nfs/dbraw/zinc/05/47/78/997054778.db2.gz XNFADKFFJFHJSE-KGLIPLIRSA-N 0 0 343.540 3.105 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3F)nc21 ZINC000822332725 946057544 /nfs/dbraw/zinc/05/75/44/946057544.db2.gz RSPGTDFSCSSSOK-NTUHNPAUSA-N 0 0 345.341 3.255 20 50 EGGDRN COC1([C@H](C(=O)[O-])[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)CCC1 ZINC001599083665 997054725 /nfs/dbraw/zinc/05/47/25/997054725.db2.gz XNFADKFFJFHJSE-KBPBESRZSA-N 0 0 343.540 3.105 20 50 EGGDRN CC[C@H](C)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825074314 607350176 /nfs/dbraw/zinc/35/01/76/607350176.db2.gz FXNBVOIXAYAYQB-LBPRGKRZSA-N 0 0 336.399 3.137 20 50 EGGDRN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001589280354 953497438 /nfs/dbraw/zinc/49/74/38/953497438.db2.gz DIMLDKORIMXQEC-UKRRQHHQSA-N 0 0 325.836 3.237 20 50 EGGDRN CC(C)c1ccccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824353022 608800379 /nfs/dbraw/zinc/80/03/79/608800379.db2.gz UKGDAEOOCDXMPJ-UHFFFAOYSA-N 0 0 337.387 3.139 20 50 EGGDRN CC(C)=CCC[C@@H](C)CC=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735679184 944688551 /nfs/dbraw/zinc/68/85/51/944688551.db2.gz FAJJQJYZKXMBFM-CQSZACIVSA-N 0 0 340.431 3.355 20 50 EGGDRN C[C@@H](CBr)C[NH2+][C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001592210517 977254487 /nfs/dbraw/zinc/25/44/87/977254487.db2.gz FEVQQQNGDHIKSM-HZMBPMFUSA-N 0 0 332.213 3.136 20 50 EGGDRN C[C@]1(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2)C[C@@H]1Br ZINC001594027441 997576491 /nfs/dbraw/zinc/57/64/91/997576491.db2.gz TXOHOKBQNIYLCP-DMDPSCGWSA-N 0 0 332.625 3.229 20 50 EGGDRN Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826285986 608214861 /nfs/dbraw/zinc/21/48/61/608214861.db2.gz PNDPICHRCCCSLZ-CHHVJCJISA-N 0 0 333.326 3.104 20 50 EGGDRN CC(C)c1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824347760 608800415 /nfs/dbraw/zinc/80/04/15/608800415.db2.gz MVMOOHMYKIFTCU-UHFFFAOYSA-N 0 0 337.387 3.139 20 50 EGGDRN CC(C)c1ccc(NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001574418486 948775500 /nfs/dbraw/zinc/77/55/00/948775500.db2.gz XBNVYVMGBGDCFW-UHFFFAOYSA-N 0 0 337.387 3.139 20 50 EGGDRN Cc1cccc([C@H]([NH2+]C[C@H](CBr)C2CC2)C(=O)[O-])c1 ZINC001594397832 958789496 /nfs/dbraw/zinc/78/94/96/958789496.db2.gz NBXPQZZEKZHKOG-KBPBESRZSA-N 0 0 326.234 3.131 20 50 EGGDRN CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824391786 609517171 /nfs/dbraw/zinc/51/71/71/609517171.db2.gz KPJRPIZNFPAYDN-LBPRGKRZSA-N 0 0 328.420 3.045 20 50 EGGDRN C[C@H]1CCC[N@H+](Cc2ccc(OCCCCl)cc2)[C@@H]1C(=O)[O-] ZINC001589334647 953981710 /nfs/dbraw/zinc/98/17/10/953981710.db2.gz RBQXDHITGNEXPM-BBRMVZONSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1 ZINC000902017714 980694063 /nfs/dbraw/zinc/69/40/63/980694063.db2.gz RKVDYAQFWIFRLL-BBRMVZONSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@@H](C[N@H+](C)CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-] ZINC001589032538 955527705 /nfs/dbraw/zinc/52/77/05/955527705.db2.gz GSFNSZPZUDDROS-AWEZNQCLSA-N 0 0 345.556 3.210 20 50 EGGDRN CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825654178 608216507 /nfs/dbraw/zinc/21/65/07/608216507.db2.gz QOXLJFPHUGPSND-YBEGLDIGSA-N 0 0 345.362 3.055 20 50 EGGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc2ccccc2c1 ZINC000826448048 608802780 /nfs/dbraw/zinc/80/27/80/608802780.db2.gz FZEQNJFBLUCIKU-UHFFFAOYSA-N 0 0 345.366 3.169 20 50 EGGDRN CC1(C)CCC[C@]([NH2+]C[C@H](CBr)C2CC2)(C(=O)[O-])C1 ZINC001593896064 996750853 /nfs/dbraw/zinc/75/08/53/996750853.db2.gz PAFQFCPXPWJTOG-SWLSCSKDSA-N 0 0 332.282 3.421 20 50 EGGDRN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103542 998137602 /nfs/dbraw/zinc/13/76/02/998137602.db2.gz YWRYXODUQJCPAV-KBPBESRZSA-N 0 0 341.524 3.230 20 50 EGGDRN C[N@H+](CCCC(=O)[O-])CC1(O[Si](C)(C)C(C)(C)C)CCOCC1 ZINC001593745837 954380159 /nfs/dbraw/zinc/38/01/59/954380159.db2.gz DYMZGFREHPBXJD-UHFFFAOYSA-N 0 0 345.556 3.354 20 50 EGGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)C1CCCCC1 ZINC000826378783 608880138 /nfs/dbraw/zinc/88/01/38/608880138.db2.gz ADTWIWRPFPCTMM-JYRVWZFOSA-N 0 0 325.347 3.062 20 50 EGGDRN Cc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)s1 ZINC000826281217 608880795 /nfs/dbraw/zinc/88/07/95/608880795.db2.gz JLBJZNFMHRBKFB-IZZDOVSWSA-N 0 0 339.355 3.166 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3cccc(-c4nn[nH]n4)c3)nc21 ZINC000737404718 945060006 /nfs/dbraw/zinc/06/00/06/945060006.db2.gz DNRUJPJRMWFMPU-ZROIWOOFSA-N 0 0 327.351 3.116 20 50 EGGDRN Cc1cccc(C(=O)C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)c1C ZINC000737382625 945054753 /nfs/dbraw/zinc/05/47/53/945054753.db2.gz ZFUQQHPYZJXPHT-YBEGLDIGSA-N 0 0 329.363 3.273 20 50 EGGDRN CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=CC#N)c1ccc(F)cc1 ZINC000821608642 945743241 /nfs/dbraw/zinc/74/32/41/945743241.db2.gz ORSZNRRNKAPYHR-LICLKQGHSA-N 0 0 334.358 3.002 20 50 EGGDRN C[C@@H]1CCC[N@H+](Cc2ccc(OCCCCl)cc2)[C@@H]1C(=O)[O-] ZINC001589334648 953981796 /nfs/dbraw/zinc/98/17/96/953981796.db2.gz RBQXDHITGNEXPM-CJNGLKHVSA-N 0 0 325.836 3.379 20 50 EGGDRN C[C@H](C[N@H+](C)CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-] ZINC001589032540 955528993 /nfs/dbraw/zinc/52/89/93/955528993.db2.gz GSFNSZPZUDDROS-CQSZACIVSA-N 0 0 345.556 3.210 20 50 EGGDRN CO[C@@H]1CCC[C@@H]([C@H]([NH2+]CCO[Si](C)(C)C(C)(C)C)C(=O)[O-])C1 ZINC001599110043 997550923 /nfs/dbraw/zinc/55/09/23/997550923.db2.gz URKIHSFPBRSXGJ-KFWWJZLASA-N 0 0 345.556 3.256 20 50 EGGDRN C[C@@]1(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])C[C@@H]1Br ZINC001594026980 997567113 /nfs/dbraw/zinc/56/71/13/997567113.db2.gz VJGPSDMYCRECGY-WFASDCNBSA-N 0 0 337.217 3.129 20 50 EGGDRN Cc1cc(C)cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826264360 608214751 /nfs/dbraw/zinc/21/47/51/608214751.db2.gz LPPVMLVCKKANJH-MFOYZWKCSA-N 0 0 329.363 3.273 20 50 EGGDRN Cc1cc(F)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826268819 608215050 /nfs/dbraw/zinc/21/50/50/608215050.db2.gz OUEZAPAZPAYYAG-OVCLIPMQSA-N 0 0 333.326 3.104 20 50 EGGDRN C[C@H]1C[N@H+](Cc2ccc(OCCCCl)cc2)CC[C@@H]1C(=O)[O-] ZINC001603461489 973302380 /nfs/dbraw/zinc/30/23/80/973302380.db2.gz PESOQLPQFTZCKQ-BBRMVZONSA-N 0 0 325.836 3.237 20 50 EGGDRN C[C@](CC(=O)[O-])([NH2+]Cc1ccc(OCCCCl)cc1)C1CC1 ZINC000901949737 980646260 /nfs/dbraw/zinc/64/62/60/980646260.db2.gz HXCBABMVYNLPOC-QGZVFWFLSA-N 0 0 325.836 3.427 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@H+](Cc2oncc2C(=O)[O-])C1 ZINC001590451506 990014484 /nfs/dbraw/zinc/01/44/84/990014484.db2.gz MKHGGZXINPULEX-GFCCVEGCSA-N 0 0 340.496 3.359 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1ccc(F)c(Cl)c1 ZINC000826378865 608288670 /nfs/dbraw/zinc/28/86/70/608288670.db2.gz CFQOTUYNHUSOSP-UITAMQMPSA-N 0 0 343.705 3.042 20 50 EGGDRN C[C@@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)C[C@@H]1C(=O)[O-] ZINC001589354872 954118135 /nfs/dbraw/zinc/11/81/35/954118135.db2.gz FBXVRXGUTAYGRU-CJNGLKHVSA-N 0 0 325.836 3.237 20 50 EGGDRN C[C@]1(C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)C[C@H]1Br ZINC001594026065 997550728 /nfs/dbraw/zinc/55/07/28/997550728.db2.gz BKYHHGQEDZRCAI-CZUORRHYSA-N 0 0 349.228 3.196 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1ccc(Cl)cc1F ZINC000826379319 608288710 /nfs/dbraw/zinc/28/87/10/608288710.db2.gz OPZRYECLHYIJIM-YVMONPNESA-N 0 0 343.705 3.042 20 50 EGGDRN C[C@H](CBr)C[NH2+][C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001592210519 977254641 /nfs/dbraw/zinc/25/46/41/977254641.db2.gz FEVQQQNGDHIKSM-QMTHXVAHSA-N 0 0 332.213 3.136 20 50 EGGDRN Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[nH]n2)c1C ZINC000826298677 607883569 /nfs/dbraw/zinc/88/35/69/607883569.db2.gz CIZBPCQFNHRXKH-XNTDXEJSSA-N 0 0 344.378 3.029 20 50 EGGDRN CC1(C(=O)[O-])CC[NH+](Cc2ccc(OCCCCl)cc2)CC1 ZINC001589199123 956627259 /nfs/dbraw/zinc/62/72/59/956627259.db2.gz RZOKPFCHXPEXJJ-UHFFFAOYSA-N 0 0 325.836 3.381 20 50 EGGDRN O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCCCCl)cc1)C2 ZINC000859812727 979642450 /nfs/dbraw/zinc/64/24/50/979642450.db2.gz WHNUISVTSKPQMS-YJBOKZPZSA-N 0 0 337.847 3.381 20 50 EGGDRN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc(OCCCCl)cc1)C1CC1 ZINC000901949736 980645830 /nfs/dbraw/zinc/64/58/30/980645830.db2.gz HXCBABMVYNLPOC-KRWDZBQOSA-N 0 0 325.836 3.427 20 50 EGGDRN CC1(C)CCC[C@@]([NH2+]C[C@H](CBr)C2CC2)(C(=O)[O-])C1 ZINC001593896065 996751039 /nfs/dbraw/zinc/75/10/39/996751039.db2.gz PAFQFCPXPWJTOG-WFASDCNBSA-N 0 0 332.282 3.421 20 50 EGGDRN CCCCCC[C@@H](CC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825271940 607724168 /nfs/dbraw/zinc/72/41/68/607724168.db2.gz RISFEEIRSLQUSQ-CYBMUJFWSA-N 0 0 330.436 3.306 20 50 EGGDRN Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826286188 608214734 /nfs/dbraw/zinc/21/47/34/608214734.db2.gz UXXBWAKUFQTMKF-RQZCQDPDSA-N 0 0 329.363 3.273 20 50 EGGDRN Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1C ZINC000826297998 608216747 /nfs/dbraw/zinc/21/67/47/608216747.db2.gz YYWZHVSZZINLHI-MFOYZWKCSA-N 0 0 329.363 3.273 20 50 EGGDRN Cc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)s1 ZINC000826281218 608880077 /nfs/dbraw/zinc/88/00/77/608880077.db2.gz JLBJZNFMHRBKFB-WDZFZDKYSA-N 0 0 339.355 3.166 20 50 EGGDRN CC(=NNC(=O)CCC1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000735447515 944654907 /nfs/dbraw/zinc/65/49/07/944654907.db2.gz KVRPEFIEHHEYHP-UHFFFAOYSA-N 0 0 340.431 3.067 20 50 EGGDRN C[C@@H](CBr)C[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592212670 977269565 /nfs/dbraw/zinc/26/95/65/977269565.db2.gz TWEXGLJXCPRLAA-VHSXEESVSA-N 0 0 347.278 3.052 20 50 EGGDRN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(OCCCCl)cc1 ZINC000901985776 980666712 /nfs/dbraw/zinc/66/67/12/980666712.db2.gz ZDTSCQKUIYUQJO-CQSZACIVSA-N 0 0 343.876 3.086 20 50 EGGDRN CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001590452165 990017790 /nfs/dbraw/zinc/01/77/90/990017790.db2.gz ZOARWESXPIFFDX-OAHLLOKOSA-N 0 0 336.508 3.376 20 50 EGGDRN Cc1ccc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826285359 608216468 /nfs/dbraw/zinc/21/64/68/608216468.db2.gz XMIXZWKZDIECIX-LICLKQGHSA-N 0 0 329.363 3.273 20 50 EGGDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=CC#N)c1ccc(F)cc1 ZINC000821612392 945745263 /nfs/dbraw/zinc/74/52/63/945745263.db2.gz TZEMAPJEPBCYCS-RQZCQDPDSA-N 0 0 334.358 3.002 20 50 EGGDRN Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000822378687 946075167 /nfs/dbraw/zinc/07/51/67/946075167.db2.gz DCNUNJPKHBRZSF-TWGQIWQCSA-N 0 0 327.394 3.088 20 50 EGGDRN C[C@H](CBr)C[NH2+][C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001592210520 977255101 /nfs/dbraw/zinc/25/51/01/977255101.db2.gz FEVQQQNGDHIKSM-YGRLFVJLSA-N 0 0 332.213 3.136 20 50 EGGDRN CCC[C@@H]([NH2+]CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-] ZINC001596001543 983257197 /nfs/dbraw/zinc/25/71/97/983257197.db2.gz OQXGNXAXXLZFFU-CQSZACIVSA-N 0 0 345.556 3.400 20 50 EGGDRN C[C@]1(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])C[C@@H]1Br ZINC001594026979 997567039 /nfs/dbraw/zinc/56/70/39/997567039.db2.gz VJGPSDMYCRECGY-SWLSCSKDSA-N 0 0 337.217 3.129 20 50 EGGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+][C@H](C(=O)[O-])c1ccccc1Br ZINC001594190602 998740805 /nfs/dbraw/zinc/74/08/05/998740805.db2.gz JYHMBMINJUXKRZ-HSDOENETSA-N 0 0 332.625 3.038 20 50 EGGDRN C[C@H]1[C@H](C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)[C@H]1Cl ZINC001594190603 998741114 /nfs/dbraw/zinc/74/11/14/998741114.db2.gz JYHMBMINJUXKRZ-JMWNJNDNSA-N 0 0 332.625 3.038 20 50 EGGDRN Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3)nc21 ZINC000737404697 945060075 /nfs/dbraw/zinc/06/00/75/945060075.db2.gz DLEADCODNRVIIF-ZROIWOOFSA-N 0 0 327.351 3.116 20 50 EGGDRN C[C@H](CBr)C[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592212666 977269748 /nfs/dbraw/zinc/26/97/48/977269748.db2.gz TWEXGLJXCPRLAA-NXEZZACHSA-N 0 0 347.278 3.052 20 50 EGGDRN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)CCO[Si](C)(C)C(C)(C)C)O1 ZINC001594099193 998094649 /nfs/dbraw/zinc/09/46/49/998094649.db2.gz ZWCGQYCWZJIXPO-CYBMUJFWSA-N 0 0 329.513 3.088 20 50 EGGDRN CC[C@@H](CC1CCCCC1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825115036 607348137 /nfs/dbraw/zinc/34/81/37/607348137.db2.gz SWCWWWHPTHSUAZ-AWEZNQCLSA-N 0 0 342.447 3.306 20 50 EGGDRN CCC[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825242603 607350183 /nfs/dbraw/zinc/35/01/83/607350183.db2.gz WHJRXVHUWUJHPD-HNNXBMFYSA-N 0 0 342.447 3.306 20 50 EGGDRN Cc1cccc(C(=O)C(C#N)=Cc2ccccc2-c2nn[nH]n2)c1C ZINC000826295701 607884943 /nfs/dbraw/zinc/88/49/43/607884943.db2.gz UJIWFFYDWXXXIW-GDNBJRDFSA-N 0 0 329.363 3.273 20 50 EGGDRN C[C@H](C[NH2+]Cc1nc(CO[Si](C)(C)C(C)(C)C)cs1)C(=O)[O-] ZINC001603193069 972296484 /nfs/dbraw/zinc/29/64/84/972296484.db2.gz HKXDLQZCLZHHHQ-LLVKDONJSA-N 0 0 344.553 3.475 20 50 EGGDRN C[C@@H](CBr)C[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592212669 977269513 /nfs/dbraw/zinc/26/95/13/977269513.db2.gz TWEXGLJXCPRLAA-UWVGGRQHSA-N 0 0 347.278 3.052 20 50 EGGDRN C[C@H]1[C@H](C[N@H+](CC(=O)[O-])Cc2cccc(Br)c2)[C@H]1Cl ZINC001594188157 998730190 /nfs/dbraw/zinc/73/01/90/998730190.db2.gz QBVOOSVTWQJUMN-WFBYXXMGSA-N 0 0 346.652 3.209 20 50 EGGDRN N#CC(=Cc1coc2ccccc12)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379665 608217758 /nfs/dbraw/zinc/21/77/58/608217758.db2.gz YKCSCDSTTDHHQU-ZROIWOOFSA-N 0 0 341.330 3.403 20 50 EGGDRN N#CC(C#N)=CNc1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737671231 945108485 /nfs/dbraw/zinc/10/84/85/945108485.db2.gz GUTDJCSXGBYREX-UHFFFAOYSA-N 0 0 329.323 3.002 20 50 EGGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1ccc(Cl)s1 ZINC000826378958 948172277 /nfs/dbraw/zinc/17/22/77/948172277.db2.gz FWBDJUQGIUBHHK-ALCCZGGFSA-N 0 0 347.812 3.433 20 50 EGGDRN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001589280353 953497420 /nfs/dbraw/zinc/49/74/20/953497420.db2.gz DIMLDKORIMXQEC-HIFRSBDPSA-N 0 0 325.836 3.237 20 50 EGGDRN