smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167897614 1096224508 /nfs/dbraw/zinc/22/45/08/1096224508.db2.gz LGCCXYORKKJGBM-BCDXTJNWSA-N 2 2 329.488 2.595 20 10 EFCDLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CCO1 ZINC001168094826 1103177621 /nfs/dbraw/zinc/17/76/21/1103177621.db2.gz ZQAWINFNWBXRBR-RYMBOPBQSA-N 2 2 342.439 2.996 20 10 EFCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000904353031 1107838518 /nfs/dbraw/zinc/83/85/18/1107838518.db2.gz GNYPZTJTHBXRKV-IBGZPJMESA-N 2 2 325.456 2.867 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)cc1 ZINC000902438377 1110120380 /nfs/dbraw/zinc/12/03/80/1110120380.db2.gz NGYVOVZNUFFVLJ-NHCUHLMSSA-N 2 2 337.467 2.878 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322547 239123555 /nfs/dbraw/zinc/12/35/55/239123555.db2.gz GSEDHSWSLQVDNA-VYDXJSESSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322547 239123563 /nfs/dbraw/zinc/12/35/63/239123563.db2.gz GSEDHSWSLQVDNA-VYDXJSESSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322903 239124942 /nfs/dbraw/zinc/12/49/42/239124942.db2.gz GSEDHSWSLQVDNA-YQQAZPJKSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322903 239124947 /nfs/dbraw/zinc/12/49/47/239124947.db2.gz GSEDHSWSLQVDNA-YQQAZPJKSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000186126909 296115127 /nfs/dbraw/zinc/11/51/27/296115127.db2.gz KERDXXXBYMGVTB-XWIAVFTESA-N 2 2 336.451 2.950 20 10 EFCDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000185393007 287048670 /nfs/dbraw/zinc/04/86/70/287048670.db2.gz ROIRXGGENSJVOH-NWDGAFQWSA-N 2 2 346.302 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccco3)CC2)cc1 ZINC000102560306 472582382 /nfs/dbraw/zinc/58/23/82/472582382.db2.gz JHTIGKLFTGSWJA-UHFFFAOYSA-N 2 2 329.444 2.590 20 10 EFCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093394711 473100557 /nfs/dbraw/zinc/10/05/57/473100557.db2.gz FVZROGRTPRVWIT-UHFFFAOYSA-N 2 2 345.531 2.956 20 10 EFCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093394711 473100563 /nfs/dbraw/zinc/10/05/63/473100563.db2.gz FVZROGRTPRVWIT-UHFFFAOYSA-N 2 2 345.531 2.956 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093665345 473132316 /nfs/dbraw/zinc/13/23/16/473132316.db2.gz HTHAJSAVSXXADM-LJQANCHMSA-N 2 2 331.504 2.687 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093665345 473132323 /nfs/dbraw/zinc/13/23/23/473132323.db2.gz HTHAJSAVSXXADM-LJQANCHMSA-N 2 2 331.504 2.687 20 10 EFCDLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1O)N1CC[NH+](C)CC1 ZINC000191197454 473504301 /nfs/dbraw/zinc/50/43/01/473504301.db2.gz WQKSSYUWGWVBTI-CJNGLKHVSA-N 2 2 341.446 2.593 20 10 EFCDLP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000192832405 473733953 /nfs/dbraw/zinc/73/39/53/473733953.db2.gz GSBKAHDGTPWICJ-RYUDHWBXSA-N 2 2 346.302 2.986 20 10 EFCDLP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287731531 473745924 /nfs/dbraw/zinc/74/59/24/473745924.db2.gz PDKQSEOFXURHFV-CJNGLKHVSA-N 2 2 325.884 2.722 20 10 EFCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182087914 474096665 /nfs/dbraw/zinc/09/66/65/474096665.db2.gz CGTPOIAAHPUPDE-AWEZNQCLSA-N 2 2 345.443 2.598 20 10 EFCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182087914 474096674 /nfs/dbraw/zinc/09/66/74/474096674.db2.gz CGTPOIAAHPUPDE-AWEZNQCLSA-N 2 2 345.443 2.598 20 10 EFCDLP CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(O)c1 ZINC000275502809 474212823 /nfs/dbraw/zinc/21/28/23/474212823.db2.gz JUGXRBWTDHYCAM-DNVCBOLYSA-N 2 2 345.443 2.924 20 10 EFCDLP COc1c(O)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704137 /nfs/dbraw/zinc/70/41/37/474704137.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 2 2 337.420 2.663 20 10 EFCDLP COc1c(O)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563487 474704143 /nfs/dbraw/zinc/70/41/43/474704143.db2.gz BQLABCXFAPSHMU-CYBMUJFWSA-N 2 2 337.420 2.663 20 10 EFCDLP COc1c(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704547 /nfs/dbraw/zinc/70/45/47/474704547.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 2 2 337.420 2.519 20 10 EFCDLP COc1c(O)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563390 474704554 /nfs/dbraw/zinc/70/45/54/474704554.db2.gz BPBXFXUUPHLBSR-CYBMUJFWSA-N 2 2 337.420 2.519 20 10 EFCDLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000286016969 475050316 /nfs/dbraw/zinc/05/03/16/475050316.db2.gz IKVSKYKSPFFJED-BZSNNMDCSA-N 2 2 336.451 2.950 20 10 EFCDLP COc1ccc(N2CC[NH+](CCCNc3cccc[nH+]3)CC2)cc1 ZINC000301075034 476158223 /nfs/dbraw/zinc/15/82/23/476158223.db2.gz OYVDLYKUAASSSW-UHFFFAOYSA-N 2 2 326.444 2.714 20 10 EFCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000373225241 476386063 /nfs/dbraw/zinc/38/60/63/476386063.db2.gz DKYQRBMHQOZEDI-CYBMUJFWSA-N 2 2 331.416 2.523 20 10 EFCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000373225241 476386072 /nfs/dbraw/zinc/38/60/72/476386072.db2.gz DKYQRBMHQOZEDI-CYBMUJFWSA-N 2 2 331.416 2.523 20 10 EFCDLP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)cc(F)c1O ZINC000756531965 575756191 /nfs/dbraw/zinc/75/61/91/575756191.db2.gz BYRMZKVRKSCUFE-ZDUSSCGKSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(F)c1O ZINC000756531965 575756194 /nfs/dbraw/zinc/75/61/94/575756194.db2.gz BYRMZKVRKSCUFE-ZDUSSCGKSA-N 2 2 341.446 2.595 20 10 EFCDLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756535856 575756575 /nfs/dbraw/zinc/75/65/75/575756575.db2.gz RXTYBHPAACSUHG-KBPBESRZSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647145 576320991 /nfs/dbraw/zinc/32/09/91/576320991.db2.gz DPVROGFUQMUXLV-CHWSQXEVSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647145 576320992 /nfs/dbraw/zinc/32/09/92/576320992.db2.gz DPVROGFUQMUXLV-CHWSQXEVSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789412 576331478 /nfs/dbraw/zinc/33/14/78/576331478.db2.gz UVGGYPFJCMFFMD-KXBFYZLASA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789412 576331480 /nfs/dbraw/zinc/33/14/80/576331480.db2.gz UVGGYPFJCMFFMD-KXBFYZLASA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000763659148 576384887 /nfs/dbraw/zinc/38/48/87/576384887.db2.gz HGMGSHWYURDXJK-LBPRGKRZSA-N 2 2 330.831 2.775 20 10 EFCDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000763659148 576384890 /nfs/dbraw/zinc/38/48/90/576384890.db2.gz HGMGSHWYURDXJK-LBPRGKRZSA-N 2 2 330.831 2.775 20 10 EFCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000765417989 577040171 /nfs/dbraw/zinc/04/01/71/577040171.db2.gz XNBHDBBWOLTXSX-INIZCTEOSA-N 2 2 328.460 2.786 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000768240501 577262544 /nfs/dbraw/zinc/26/25/44/577262544.db2.gz WJOWXKZOPDOOBM-UHFFFAOYSA-N 2 2 343.515 2.974 20 10 EFCDLP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825108278 1278411375 /nfs/dbraw/zinc/41/13/75/1278411375.db2.gz SPKYSVGQFSSWRW-UHFFFAOYSA-N 2 2 339.911 2.861 20 10 EFCDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000825275312 1278501825 /nfs/dbraw/zinc/50/18/25/1278501825.db2.gz GSDZDJLPRWKKLE-UHFFFAOYSA-N 2 2 325.884 2.551 20 10 EFCDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825275510 1278502107 /nfs/dbraw/zinc/50/21/07/1278502107.db2.gz RANCLRDSNVJERS-UHFFFAOYSA-N 2 2 343.874 2.690 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000817889311 1276347916 /nfs/dbraw/zinc/34/79/16/1276347916.db2.gz SJNGFCJXXGKCRD-OIPACUDHSA-N 2 2 335.467 2.527 20 10 EFCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902164 1276366854 /nfs/dbraw/zinc/36/68/54/1276366854.db2.gz JPVQCPXGOIZVTL-MJGOQNOKSA-N 2 2 331.504 2.780 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2F)CC1 ZINC000817902110 1276366920 /nfs/dbraw/zinc/36/69/20/1276366920.db2.gz IGRDCTPYAWCCCD-RTBURBONSA-N 3 2 348.510 2.717 20 10 EFCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901566 1276367267 /nfs/dbraw/zinc/36/72/67/1276367267.db2.gz WZSUNNCWLCZOOK-CPUCHLNUSA-N 2 2 339.430 2.844 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2F)CC1 ZINC000817902108 1276367430 /nfs/dbraw/zinc/36/74/30/1276367430.db2.gz IGRDCTPYAWCCCD-OALUTQOASA-N 3 2 348.510 2.717 20 10 EFCDLP CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1F ZINC000817903942 1276369205 /nfs/dbraw/zinc/36/92/05/1276369205.db2.gz XKCGDVOJPAEJEW-RBUKOAKNSA-N 2 2 335.467 2.529 20 10 EFCDLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939064 1276385175 /nfs/dbraw/zinc/38/51/75/1276385175.db2.gz YKXJEMQDBNWJSB-HNAYVOBHSA-N 2 2 340.471 2.759 20 10 EFCDLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000817940329 1276386228 /nfs/dbraw/zinc/38/62/28/1276386228.db2.gz GBBQOKSYEXIJOD-GUYCJALGSA-N 2 2 329.444 2.817 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817945996 1276390447 /nfs/dbraw/zinc/39/04/47/1276390447.db2.gz PMUHYXYVBJGXMC-ZJUUUORDSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817945428 1276390575 /nfs/dbraw/zinc/39/05/75/1276390575.db2.gz COFFUTZGYWUYRF-VHSXEESVSA-N 2 2 331.229 2.944 20 10 EFCDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975187 1276416022 /nfs/dbraw/zinc/41/60/22/1276416022.db2.gz RMMRIXJIMHZMMQ-ABAIWWIYSA-N 2 2 343.265 2.574 20 10 EFCDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703149 1280432190 /nfs/dbraw/zinc/43/21/90/1280432190.db2.gz LSDQJPBHVHYRQI-ZBFHGGJFSA-N 2 2 332.448 2.897 20 10 EFCDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703149 1280432196 /nfs/dbraw/zinc/43/21/96/1280432196.db2.gz LSDQJPBHVHYRQI-ZBFHGGJFSA-N 2 2 332.448 2.897 20 10 EFCDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809729891 1282410434 /nfs/dbraw/zinc/41/04/34/1282410434.db2.gz RNKAHMUYIOEMKD-UHFFFAOYSA-N 2 2 334.464 2.969 20 10 EFCDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809729891 1282410439 /nfs/dbraw/zinc/41/04/39/1282410439.db2.gz RNKAHMUYIOEMKD-UHFFFAOYSA-N 2 2 334.464 2.969 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815563483 1287596470 /nfs/dbraw/zinc/59/64/70/1287596470.db2.gz DKDCZMIUJORZCX-VXGBXAGGSA-N 2 2 332.366 2.518 20 10 EFCDLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000815573661 1287632056 /nfs/dbraw/zinc/63/20/56/1287632056.db2.gz PUDIJCUBIUCXGF-IRXDYDNUSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000815573661 1287632067 /nfs/dbraw/zinc/63/20/67/1287632067.db2.gz PUDIJCUBIUCXGF-IRXDYDNUSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000814178532 1286361008 /nfs/dbraw/zinc/36/10/08/1286361008.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000814178532 1286361016 /nfs/dbraw/zinc/36/10/16/1286361016.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000814178532 1286361025 /nfs/dbraw/zinc/36/10/25/1286361025.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000814178532 1286361032 /nfs/dbraw/zinc/36/10/32/1286361032.db2.gz UCKIRQLIXAWIGR-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816534966 1288195087 /nfs/dbraw/zinc/19/50/87/1288195087.db2.gz ALPKMUVWAGWDAK-UHFFFAOYSA-N 2 2 343.874 2.692 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233111531 1312856597 /nfs/dbraw/zinc/85/65/97/1312856597.db2.gz SGAAHFLUOXVTMU-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233111531 1312856601 /nfs/dbraw/zinc/85/66/01/1312856601.db2.gz SGAAHFLUOXVTMU-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233111531 1312856604 /nfs/dbraw/zinc/85/66/04/1312856604.db2.gz SGAAHFLUOXVTMU-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233111531 1312856608 /nfs/dbraw/zinc/85/66/08/1312856608.db2.gz SGAAHFLUOXVTMU-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001233111187 1312856870 /nfs/dbraw/zinc/85/68/70/1312856870.db2.gz KJGOCRLBHQMWIX-CZUORRHYSA-N 2 2 339.277 2.847 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001233111187 1312856874 /nfs/dbraw/zinc/85/68/74/1312856874.db2.gz KJGOCRLBHQMWIX-CZUORRHYSA-N 2 2 339.277 2.847 20 10 EFCDLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3c(O)cccc3F)(C1)CCC2 ZINC001276359315 1294620783 /nfs/dbraw/zinc/62/07/83/1294620783.db2.gz HTMOQRWUODQBJV-RBUKOAKNSA-N 2 2 335.467 2.618 20 10 EFCDLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(O)c1O ZINC001204350349 1313127145 /nfs/dbraw/zinc/12/71/45/1313127145.db2.gz GLGNPOLRYPGVRA-UHFFFAOYSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(O)c1O ZINC001204350349 1313127148 /nfs/dbraw/zinc/12/71/48/1313127148.db2.gz GLGNPOLRYPGVRA-UHFFFAOYSA-N 2 2 334.460 2.945 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205787105 1313355226 /nfs/dbraw/zinc/35/52/26/1313355226.db2.gz FPQYTWGPWXURCO-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205787105 1313355230 /nfs/dbraw/zinc/35/52/30/1313355230.db2.gz FPQYTWGPWXURCO-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235806216 1313400690 /nfs/dbraw/zinc/40/06/90/1313400690.db2.gz MFYQEYRKAKLMHU-OAHLLOKOSA-N 2 2 342.867 2.645 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235806216 1313400693 /nfs/dbraw/zinc/40/06/93/1313400693.db2.gz MFYQEYRKAKLMHU-OAHLLOKOSA-N 2 2 342.867 2.645 20 10 EFCDLP CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236005771 1313430263 /nfs/dbraw/zinc/43/02/63/1313430263.db2.gz PCOOJISELXJKFX-CYBMUJFWSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236005771 1313430264 /nfs/dbraw/zinc/43/02/64/1313430264.db2.gz PCOOJISELXJKFX-CYBMUJFWSA-N 2 2 343.265 2.737 20 10 EFCDLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236324889 1313469641 /nfs/dbraw/zinc/46/96/41/1313469641.db2.gz WHNOVWMTGBPDOS-CYBMUJFWSA-N 2 2 332.366 2.907 20 10 EFCDLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236324889 1313469644 /nfs/dbraw/zinc/46/96/44/1313469644.db2.gz WHNOVWMTGBPDOS-CYBMUJFWSA-N 2 2 332.366 2.907 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Br)c3O)C[C@H]2C1 ZINC001236670975 1313506599 /nfs/dbraw/zinc/50/65/99/1313506599.db2.gz QYUHCZHQVDHDHW-ZIAGYGMSSA-N 2 2 339.277 2.847 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236932102 1313555959 /nfs/dbraw/zinc/55/59/59/1313555959.db2.gz NSJDYSMVUWTNLX-ROUUACIJSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236932102 1313555962 /nfs/dbraw/zinc/55/59/62/1313555962.db2.gz NSJDYSMVUWTNLX-ROUUACIJSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CC(F)(F)C4)c(F)c2)CC1 ZINC001236931211 1313556281 /nfs/dbraw/zinc/55/62/81/1313556281.db2.gz HJZGWYTYHHSTMR-UHFFFAOYSA-N 2 2 339.405 2.809 20 10 EFCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062435 1313579422 /nfs/dbraw/zinc/57/94/22/1313579422.db2.gz NTZCJCNVEMGUFU-SWLSCSKDSA-N 2 2 344.377 2.859 20 10 EFCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062435 1313579426 /nfs/dbraw/zinc/57/94/26/1313579426.db2.gz NTZCJCNVEMGUFU-SWLSCSKDSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062435 1313579430 /nfs/dbraw/zinc/57/94/30/1313579430.db2.gz NTZCJCNVEMGUFU-SWLSCSKDSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062435 1313579434 /nfs/dbraw/zinc/57/94/34/1313579434.db2.gz NTZCJCNVEMGUFU-SWLSCSKDSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001237157151 1313594725 /nfs/dbraw/zinc/59/47/25/1313594725.db2.gz ZHALDIYQUVHCLY-OAQYLSRUSA-N 3 2 342.531 2.545 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001237157151 1313594727 /nfs/dbraw/zinc/59/47/27/1313594727.db2.gz ZHALDIYQUVHCLY-OAQYLSRUSA-N 3 2 342.531 2.545 20 10 EFCDLP COC(=O)c1c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237418130 1313642286 /nfs/dbraw/zinc/64/22/86/1313642286.db2.gz VXJLRTFBAWQORS-YOEHRIQHSA-N 2 2 341.455 2.539 20 10 EFCDLP COC(=O)c1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237418130 1313642290 /nfs/dbraw/zinc/64/22/90/1313642290.db2.gz VXJLRTFBAWQORS-YOEHRIQHSA-N 2 2 341.455 2.539 20 10 EFCDLP Cc1cc(O)c(C[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC001237677821 1313689783 /nfs/dbraw/zinc/68/97/83/1313689783.db2.gz PLWGBTFBAFNRIW-UHFFFAOYSA-N 2 2 327.266 2.989 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(Br)c(C)cc3O)C[C@H]2C1 ZINC001237684430 1313691936 /nfs/dbraw/zinc/69/19/36/1313691936.db2.gz KMEXQMYIFFSVTP-ZIAGYGMSSA-N 2 2 339.277 2.847 20 10 EFCDLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC001276538586 1313706868 /nfs/dbraw/zinc/70/68/68/1313706868.db2.gz WOSKADJBIIJYKT-UHFFFAOYSA-N 2 2 349.494 2.771 20 10 EFCDLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cccc(F)c3O)CC2)C1 ZINC001276538586 1313706872 /nfs/dbraw/zinc/70/68/72/1313706872.db2.gz WOSKADJBIIJYKT-UHFFFAOYSA-N 2 2 349.494 2.771 20 10 EFCDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237936147 1313733748 /nfs/dbraw/zinc/73/37/48/1313733748.db2.gz HCUJPONVVZDZOQ-UHFFFAOYSA-N 2 2 341.814 2.815 20 10 EFCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)c1 ZINC001238065778 1313754228 /nfs/dbraw/zinc/75/42/28/1313754228.db2.gz FGCMDAJIPJORNU-UHFFFAOYSA-N 2 2 331.391 2.566 20 10 EFCDLP Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608780 1311160031 /nfs/dbraw/zinc/16/00/31/1311160031.db2.gz FARPXNIBJGOUKK-OAHLLOKOSA-N 2 2 330.378 2.859 20 10 EFCDLP Oc1cc(F)c(F)cc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608780 1311160034 /nfs/dbraw/zinc/16/00/34/1311160034.db2.gz FARPXNIBJGOUKK-OAHLLOKOSA-N 2 2 330.378 2.859 20 10 EFCDLP COc1ccc(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001276926936 1311312607 /nfs/dbraw/zinc/31/26/07/1311312607.db2.gz IKNSUPBGCLMMPX-HDICACEKSA-N 2 2 340.471 2.740 20 10 EFCDLP COc1ccc(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)cc1 ZINC001276926936 1311312610 /nfs/dbraw/zinc/31/26/10/1311312610.db2.gz IKNSUPBGCLMMPX-HDICACEKSA-N 2 2 340.471 2.740 20 10 EFCDLP C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000902518964 1311828300 /nfs/dbraw/zinc/82/83/00/1311828300.db2.gz VGLLOFVQTSTLNN-IFXJQAMLSA-N 2 2 327.476 2.514 20 10 EFCDLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(O)cc1O ZINC001231640767 1312538795 /nfs/dbraw/zinc/53/87/95/1312538795.db2.gz USGVFZWEPKGSOG-UHFFFAOYSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(O)cc1O ZINC001231640767 1312538797 /nfs/dbraw/zinc/53/87/97/1312538797.db2.gz USGVFZWEPKGSOG-UHFFFAOYSA-N 2 2 334.460 2.945 20 10 EFCDLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001231845105 1312573308 /nfs/dbraw/zinc/57/33/08/1312573308.db2.gz VLINMDMIFJEROD-HDICACEKSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001231845105 1312573311 /nfs/dbraw/zinc/57/33/11/1312573311.db2.gz VLINMDMIFJEROD-HDICACEKSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001231845105 1312573314 /nfs/dbraw/zinc/57/33/14/1312573314.db2.gz VLINMDMIFJEROD-HDICACEKSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001231845105 1312573316 /nfs/dbraw/zinc/57/33/16/1312573316.db2.gz VLINMDMIFJEROD-HDICACEKSA-N 2 2 337.467 2.968 20 10 EFCDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)c(C)cc1O ZINC001231868518 1312578576 /nfs/dbraw/zinc/57/85/76/1312578576.db2.gz CXBDDLIVRWTXSO-UHFFFAOYSA-N 2 2 342.867 2.671 20 10 EFCDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c(C)cc1O ZINC001231868518 1312578578 /nfs/dbraw/zinc/57/85/78/1312578578.db2.gz CXBDDLIVRWTXSO-UHFFFAOYSA-N 2 2 342.867 2.671 20 10 EFCDLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)cc1Br ZINC001250133981 1315177305 /nfs/dbraw/zinc/17/73/05/1315177305.db2.gz SVDDPDKWVHSAKP-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1Br ZINC001250133981 1315177307 /nfs/dbraw/zinc/17/73/07/1315177307.db2.gz SVDDPDKWVHSAKP-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1Br ZINC001250133981 1315177310 /nfs/dbraw/zinc/17/73/10/1315177310.db2.gz SVDDPDKWVHSAKP-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)cc1Br ZINC001250133981 1315177312 /nfs/dbraw/zinc/17/73/12/1315177312.db2.gz SVDDPDKWVHSAKP-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccco1 ZINC001318885304 1328731723 /nfs/dbraw/zinc/73/17/23/1328731723.db2.gz VRJPCFWQPQWABK-QGZVFWFLSA-N 2 2 347.434 2.648 20 10 EFCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319823633 1329005093 /nfs/dbraw/zinc/00/50/93/1329005093.db2.gz RWMIROUOKBZEQK-UHFFFAOYSA-N 2 2 331.504 2.565 20 10 EFCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319823633 1329005099 /nfs/dbraw/zinc/00/50/99/1329005099.db2.gz RWMIROUOKBZEQK-UHFFFAOYSA-N 2 2 331.504 2.565 20 10 EFCDLP O=[N+]([O-])c1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1N1CCCCC1 ZINC000743503659 1322989937 /nfs/dbraw/zinc/98/99/37/1322989937.db2.gz PMYQKJYSIZEOKC-UHFFFAOYSA-N 2 2 343.431 2.962 20 10 EFCDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c2nccn21 ZINC001324438710 1329627565 /nfs/dbraw/zinc/62/75/65/1329627565.db2.gz OQCQEBURROYIEF-WMLDXEAASA-N 2 2 343.450 2.570 20 10 EFCDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c2nccn21 ZINC001324438712 1329627644 /nfs/dbraw/zinc/62/76/44/1329627644.db2.gz OQCQEBURROYIEF-YOEHRIQHSA-N 2 2 343.450 2.570 20 10 EFCDLP C[NH+]1CCN(c2ccc(CNCC[N@@H+]3CCCC3(C)C)cc2F)CC1 ZINC001325133388 1329672771 /nfs/dbraw/zinc/67/27/71/1329672771.db2.gz RTQCZEBXNIWWNE-UHFFFAOYSA-N 2 2 348.510 2.542 20 10 EFCDLP C[NH+]1CCN(c2ccc(CNCC[N@H+]3CCCC3(C)C)cc2F)CC1 ZINC001325133388 1329672773 /nfs/dbraw/zinc/67/27/73/1329672773.db2.gz RTQCZEBXNIWWNE-UHFFFAOYSA-N 2 2 348.510 2.542 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCCC3(C)C)cc2F)CC1 ZINC001325133388 1329672774 /nfs/dbraw/zinc/67/27/74/1329672774.db2.gz RTQCZEBXNIWWNE-UHFFFAOYSA-N 2 2 348.510 2.542 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC2(CCC2)O1 ZINC001327122258 1330420570 /nfs/dbraw/zinc/42/05/70/1330420570.db2.gz ZROFXKCKQFXDDY-MRXNPFEDSA-N 2 2 347.478 2.721 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC2(CCC2)O1 ZINC001327122258 1330420573 /nfs/dbraw/zinc/42/05/73/1330420573.db2.gz ZROFXKCKQFXDDY-MRXNPFEDSA-N 2 2 347.478 2.721 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848574408 1334801813 /nfs/dbraw/zinc/80/18/13/1334801813.db2.gz DWBLVLWRPGRPRP-WOJBJXKFSA-N 2 2 329.488 2.630 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848574408 1334801823 /nfs/dbraw/zinc/80/18/23/1334801823.db2.gz DWBLVLWRPGRPRP-WOJBJXKFSA-N 2 2 329.488 2.630 20 10 EFCDLP Fc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1N1CCOCC1 ZINC000848575657 1334803426 /nfs/dbraw/zinc/80/34/26/1334803426.db2.gz URHNGCNDMAYWOF-UYAOXDASSA-N 2 2 347.478 2.769 20 10 EFCDLP Fc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1N1CCOCC1 ZINC000848575657 1334803427 /nfs/dbraw/zinc/80/34/27/1334803427.db2.gz URHNGCNDMAYWOF-UYAOXDASSA-N 2 2 347.478 2.769 20 10 EFCDLP CC[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000806127440 713448884 /nfs/dbraw/zinc/44/88/84/713448884.db2.gz FALSQAXXLXIOAX-XLIONFOSSA-N 2 2 331.504 2.986 20 10 EFCDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000162833407 716908227 /nfs/dbraw/zinc/90/82/27/716908227.db2.gz BJIHPPIRVFEXMF-FQEVSTJZSA-N 2 2 331.504 2.986 20 10 EFCDLP Cc1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000911667290 727576493 /nfs/dbraw/zinc/57/64/93/727576493.db2.gz PQGQSOHCAPDZFY-KRWDZBQOSA-N 2 2 326.444 2.503 20 10 EFCDLP CC[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000044517925 727871432 /nfs/dbraw/zinc/87/14/32/727871432.db2.gz AUXLUNJHZZXSTL-UHFFFAOYSA-N 2 2 327.266 2.976 20 10 EFCDLP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000227327215 728326825 /nfs/dbraw/zinc/32/68/25/728326825.db2.gz BUUZSMYKKYDFCU-UHFFFAOYSA-N 2 2 327.266 2.976 20 10 EFCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(C)C[NH2+]CCO2)cc1 ZINC001578498357 1090387951 /nfs/dbraw/zinc/38/79/51/1090387951.db2.gz GQMOPNRTBVFVCD-LJQANCHMSA-N 2 2 345.512 2.853 20 10 EFCDLP [NH3+]CC1(N(Cc2ccccc2)c2ccc(Cn3cc[nH+]c3)cc2)COC1 ZINC001167374689 1102916437 /nfs/dbraw/zinc/91/64/37/1102916437.db2.gz RVBPPCSSCQXLFV-UHFFFAOYSA-N 2 2 348.450 2.666 20 10 EFCDLP CC(C)[NH+]1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450875 1108944151 /nfs/dbraw/zinc/94/41/51/1108944151.db2.gz UPJSHLAKZAALGR-HXUWFJFHSA-N 2 2 332.536 2.818 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000186126927 299273603 /nfs/dbraw/zinc/27/36/03/299273603.db2.gz KERDXXXBYMGVTB-KKXDTOCCSA-N 2 2 336.451 2.950 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000090003493 472576836 /nfs/dbraw/zinc/57/68/36/472576836.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N 2 2 345.418 2.922 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000090003493 472576839 /nfs/dbraw/zinc/57/68/39/472576839.db2.gz ZHXLMYMVHSHJNH-CQSZACIVSA-N 2 2 345.418 2.922 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000156002305 472653580 /nfs/dbraw/zinc/65/35/80/472653580.db2.gz BPRLUXMTLKDQOL-UHFFFAOYSA-N 2 2 331.504 2.986 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000131843792 472697296 /nfs/dbraw/zinc/69/72/96/472697296.db2.gz UEFOTFGNRLVJBW-MRXNPFEDSA-N 2 2 330.359 2.782 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000123155119 473104664 /nfs/dbraw/zinc/10/46/64/473104664.db2.gz NTMDEVQECPYJCV-DOTOQJQBSA-N 2 2 329.488 2.879 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC000123155119 473104671 /nfs/dbraw/zinc/10/46/71/473104671.db2.gz NTMDEVQECPYJCV-DOTOQJQBSA-N 2 2 329.488 2.879 20 10 EFCDLP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663986 473132647 /nfs/dbraw/zinc/13/26/47/473132647.db2.gz GEHMHFGKVKDWCM-FQEVSTJZSA-N 2 2 343.515 2.831 20 10 EFCDLP c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663986 473132652 /nfs/dbraw/zinc/13/26/52/473132652.db2.gz GEHMHFGKVKDWCM-FQEVSTJZSA-N 2 2 343.515 2.831 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136578949 473164623 /nfs/dbraw/zinc/16/46/23/473164623.db2.gz MJXWVFQMCREFFF-AEFFLSMTSA-N 2 2 338.879 2.903 20 10 EFCDLP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287731534 473746532 /nfs/dbraw/zinc/74/65/32/473746532.db2.gz PDKQSEOFXURHFV-CZUORRHYSA-N 2 2 325.884 2.722 20 10 EFCDLP CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182088863 474097694 /nfs/dbraw/zinc/09/76/94/474097694.db2.gz NNCAABLSMGELGM-HNNXBMFYSA-N 2 2 329.444 2.979 20 10 EFCDLP CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182088863 474097699 /nfs/dbraw/zinc/09/76/99/474097699.db2.gz NNCAABLSMGELGM-HNNXBMFYSA-N 2 2 329.444 2.979 20 10 EFCDLP CCCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(O)c1 ZINC000184762517 474602569 /nfs/dbraw/zinc/60/25/69/474602569.db2.gz WMFBTBPIRABLKG-UHFFFAOYSA-N 2 2 342.443 2.602 20 10 EFCDLP COc1c(O)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603690 /nfs/dbraw/zinc/60/36/90/474603690.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603695 /nfs/dbraw/zinc/60/36/95/474603695.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603699 /nfs/dbraw/zinc/60/36/99/474603699.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000278202711 474603705 /nfs/dbraw/zinc/60/37/05/474603705.db2.gz JIWJMPPAMCSUEL-AWEZNQCLSA-N 2 2 337.420 2.615 20 10 EFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1C ZINC000273604020 474986868 /nfs/dbraw/zinc/98/68/68/474986868.db2.gz SOEZMHSRAWLFMH-SJLPKXTDSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1C ZINC000273604020 474986870 /nfs/dbraw/zinc/98/68/70/474986870.db2.gz SOEZMHSRAWLFMH-SJLPKXTDSA-N 2 2 347.503 2.602 20 10 EFCDLP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287572432 475200416 /nfs/dbraw/zinc/20/04/16/475200416.db2.gz GWQUXZRHCNYWNB-RHSMWYFYSA-N 2 2 339.911 2.970 20 10 EFCDLP C[N@H+](Cc1c(O)cccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624439 476482473 /nfs/dbraw/zinc/48/24/73/476482473.db2.gz JSJYVPHDCOLVAX-HNNXBMFYSA-N 2 2 337.895 2.646 20 10 EFCDLP C[N@@H+](Cc1c(O)cccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624439 476482479 /nfs/dbraw/zinc/48/24/79/476482479.db2.gz JSJYVPHDCOLVAX-HNNXBMFYSA-N 2 2 337.895 2.646 20 10 EFCDLP CN(Cc1c(O)cccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377624439 476482483 /nfs/dbraw/zinc/48/24/83/476482483.db2.gz JSJYVPHDCOLVAX-HNNXBMFYSA-N 2 2 337.895 2.646 20 10 EFCDLP CN(Cc1c(O)cccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377624439 476482485 /nfs/dbraw/zinc/48/24/85/476482485.db2.gz JSJYVPHDCOLVAX-HNNXBMFYSA-N 2 2 337.895 2.646 20 10 EFCDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375021048 476641566 /nfs/dbraw/zinc/64/15/66/476641566.db2.gz NVYHUSYLJXIYNI-WMLDXEAASA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375021048 476641574 /nfs/dbraw/zinc/64/15/74/476641574.db2.gz NVYHUSYLJXIYNI-WMLDXEAASA-N 2 2 337.895 2.503 20 10 EFCDLP Oc1ccc(Br)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376730843 477478545 /nfs/dbraw/zinc/47/85/45/477478545.db2.gz ZVXDBWILYKPZCM-UHFFFAOYSA-N 2 2 336.233 2.977 20 10 EFCDLP CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000492810268 479020610 /nfs/dbraw/zinc/02/06/10/479020610.db2.gz HVPRONMDWVNFFV-WTKPLQERSA-N 2 2 340.427 2.561 20 10 EFCDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)c(F)cc1O ZINC000756374422 575725765 /nfs/dbraw/zinc/72/57/65/575725765.db2.gz ZQEVONGVXIYKIX-SECBINFHSA-N 2 2 328.185 2.841 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1O ZINC000756587043 575765736 /nfs/dbraw/zinc/76/57/36/575765736.db2.gz YJCLEEFSTYCNJA-CHWSQXEVSA-N 2 2 340.414 2.822 20 10 EFCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000762482810 576306719 /nfs/dbraw/zinc/30/67/19/576306719.db2.gz MLGDHFQOHYDUGL-GFCCVEGCSA-N 2 2 330.831 2.775 20 10 EFCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000762482810 576306724 /nfs/dbraw/zinc/30/67/24/576306724.db2.gz MLGDHFQOHYDUGL-GFCCVEGCSA-N 2 2 330.831 2.775 20 10 EFCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000763659145 576385092 /nfs/dbraw/zinc/38/50/92/576385092.db2.gz HGMGSHWYURDXJK-GFCCVEGCSA-N 2 2 330.831 2.775 20 10 EFCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000763659145 576385094 /nfs/dbraw/zinc/38/50/94/576385094.db2.gz HGMGSHWYURDXJK-GFCCVEGCSA-N 2 2 330.831 2.775 20 10 EFCDLP Cc1cc[nH+]c(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c1 ZINC000765139486 577011437 /nfs/dbraw/zinc/01/14/37/577011437.db2.gz BDWIMDJNKNPMGX-UHFFFAOYSA-N 2 2 334.423 2.966 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769523431 577369989 /nfs/dbraw/zinc/36/99/89/577369989.db2.gz AAVOZXCYMOWYIG-RHSMWYFYSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769523431 577369990 /nfs/dbraw/zinc/36/99/90/577369990.db2.gz AAVOZXCYMOWYIG-RHSMWYFYSA-N 2 2 337.895 2.503 20 10 EFCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904808 581503677 /nfs/dbraw/zinc/50/36/77/581503677.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904808 581503678 /nfs/dbraw/zinc/50/36/78/581503678.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904808 581503679 /nfs/dbraw/zinc/50/36/79/581503679.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904808 581503680 /nfs/dbraw/zinc/50/36/80/581503680.db2.gz XBQFSKBCQSQLIW-OCCSQVGLSA-N 2 2 337.420 2.614 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000843126338 1260705951 /nfs/dbraw/zinc/70/59/51/1260705951.db2.gz JMNBBPBKGSZXBU-BBRMVZONSA-N 2 2 327.394 2.955 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000843126338 1260705953 /nfs/dbraw/zinc/70/59/53/1260705953.db2.gz JMNBBPBKGSZXBU-BBRMVZONSA-N 2 2 327.394 2.955 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000824761816 1278286840 /nfs/dbraw/zinc/28/68/40/1278286840.db2.gz KKKSCYOWEJDMDS-MRXNPFEDSA-N 2 2 337.895 2.566 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000824761816 1278286846 /nfs/dbraw/zinc/28/68/46/1278286846.db2.gz KKKSCYOWEJDMDS-MRXNPFEDSA-N 2 2 337.895 2.566 20 10 EFCDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000700809400 1269548888 /nfs/dbraw/zinc/54/88/88/1269548888.db2.gz PIPIOACPGNTFHZ-GFCCVEGCSA-N 2 2 327.266 2.976 20 10 EFCDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000700809400 1269548892 /nfs/dbraw/zinc/54/88/92/1269548892.db2.gz PIPIOACPGNTFHZ-GFCCVEGCSA-N 2 2 327.266 2.976 20 10 EFCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566419 1271493625 /nfs/dbraw/zinc/49/36/25/1271493625.db2.gz HJXVCYRPHNXLIY-YWZLYKJASA-N 2 2 344.430 2.819 20 10 EFCDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566419 1271493638 /nfs/dbraw/zinc/49/36/38/1271493638.db2.gz HJXVCYRPHNXLIY-YWZLYKJASA-N 2 2 344.430 2.819 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888162 1276347152 /nfs/dbraw/zinc/34/71/52/1276347152.db2.gz JDYCIMBZOOKJDQ-ATNYBXOESA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938261 1276386260 /nfs/dbraw/zinc/38/62/60/1276386260.db2.gz HOBYRRNONOXFCQ-KDOFPFPSSA-N 2 2 341.455 2.874 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939140 1276386324 /nfs/dbraw/zinc/38/63/24/1276386324.db2.gz ZNJDKUFQNFOZCL-CXAGYDPISA-N 2 2 327.428 2.832 20 10 EFCDLP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817941803 1276386880 /nfs/dbraw/zinc/38/68/80/1276386880.db2.gz RWMAZMVVKAVVAS-VIFPVBQESA-N 2 2 331.229 2.944 20 10 EFCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817941551 1276386918 /nfs/dbraw/zinc/38/69/18/1276386918.db2.gz KNALQTXBPLNLEI-FZKQIMNGSA-N 2 2 329.444 2.817 20 10 EFCDLP Cc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(O)c1C ZINC000817951132 1276395935 /nfs/dbraw/zinc/39/59/35/1276395935.db2.gz BWNIIQMYGFDHAF-HNNXBMFYSA-N 2 2 326.444 2.987 20 10 EFCDLP COc1ccc([C@H]([NH2+]CCc2ccc(N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817956917 1276397974 /nfs/dbraw/zinc/39/79/74/1276397974.db2.gz FYBKHILBZIVNHQ-UXHICEINSA-N 2 2 325.456 2.903 20 10 EFCDLP COC[C@]1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCC[NH2+]1 ZINC000817975526 1276415529 /nfs/dbraw/zinc/41/55/29/1276415529.db2.gz WBQMGOLWKHILMZ-IAQYHMDHSA-N 2 2 332.366 2.830 20 10 EFCDLP CCc1nocc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000815123505 1287316820 /nfs/dbraw/zinc/31/68/20/1287316820.db2.gz AXEPFPKALALNMO-UHFFFAOYSA-N 2 2 346.450 2.808 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000793519979 1279714137 /nfs/dbraw/zinc/71/41/37/1279714137.db2.gz SDUJWHWHNZGYEY-IBGZPJMESA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806127874 1280986031 /nfs/dbraw/zinc/98/60/31/1280986031.db2.gz KYFKLRQDMIXFLT-SFTDATJTSA-N 2 2 343.515 2.986 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521416 1288170033 /nfs/dbraw/zinc/17/00/33/1288170033.db2.gz OPKUVPAKVFQCNB-ISTRZQFTSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521416 1288170037 /nfs/dbraw/zinc/17/00/37/1288170037.db2.gz OPKUVPAKVFQCNB-ISTRZQFTSA-N 2 2 342.842 2.868 20 10 EFCDLP CN(CC[N@H+](C)Cc1cc(Cl)c(F)cc1O)C1CC[NH+](C)CC1 ZINC000816610784 1288225095 /nfs/dbraw/zinc/22/50/95/1288225095.db2.gz YGUHVUFYZTWTCG-UHFFFAOYSA-N 2 2 343.874 2.643 20 10 EFCDLP CN(CC[N@@H+](C)Cc1cc(Cl)c(F)cc1O)C1CC[NH+](C)CC1 ZINC000816610784 1288225102 /nfs/dbraw/zinc/22/51/02/1288225102.db2.gz YGUHVUFYZTWTCG-UHFFFAOYSA-N 2 2 343.874 2.643 20 10 EFCDLP CN(C)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]c1 ZINC000817409018 1288589267 /nfs/dbraw/zinc/58/92/67/1288589267.db2.gz WISFNKVPUORNBG-UHFFFAOYSA-N 2 2 325.460 2.512 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000876900807 1291064696 /nfs/dbraw/zinc/06/46/96/1291064696.db2.gz RJNCFUCXCPQKBZ-DLBZAZTESA-N 2 2 349.544 2.691 20 10 EFCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680841 1291681785 /nfs/dbraw/zinc/68/17/85/1291681785.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680841 1291681791 /nfs/dbraw/zinc/68/17/91/1291681791.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680841 1291681796 /nfs/dbraw/zinc/68/17/96/1291681796.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680841 1291681803 /nfs/dbraw/zinc/68/18/03/1291681803.db2.gz VRRAQDPHBYGRNM-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(O)c(O)cc1O ZINC001233487146 1312940829 /nfs/dbraw/zinc/94/08/29/1312940829.db2.gz RXHZNJIPGUGNOQ-UHFFFAOYSA-N 2 2 325.368 2.621 20 10 EFCDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(O)c(O)cc1O ZINC001233487146 1312940831 /nfs/dbraw/zinc/94/08/31/1312940831.db2.gz RXHZNJIPGUGNOQ-UHFFFAOYSA-N 2 2 325.368 2.621 20 10 EFCDLP CN1CCCc2cc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)ccc21 ZINC000796278593 1292728803 /nfs/dbraw/zinc/72/88/03/1292728803.db2.gz BTSYJUYQQPNBJQ-UHFFFAOYSA-N 2 2 330.501 2.877 20 10 EFCDLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001205580181 1292807168 /nfs/dbraw/zinc/80/71/68/1292807168.db2.gz RBMBYGRRMDKTMK-AWEZNQCLSA-N 2 2 349.219 2.947 20 10 EFCDLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001205580181 1292807182 /nfs/dbraw/zinc/80/71/82/1292807182.db2.gz RBMBYGRRMDKTMK-AWEZNQCLSA-N 2 2 349.219 2.947 20 10 EFCDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203551514 1312954645 /nfs/dbraw/zinc/95/46/45/1312954645.db2.gz GNIDWULMVHTVJS-UHFFFAOYSA-N 2 2 346.471 2.632 20 10 EFCDLP CCOc1cccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)c1O ZINC001203613918 1312971208 /nfs/dbraw/zinc/97/12/08/1312971208.db2.gz JXOYSJRCQMKEPD-SFHVURJKSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOc1cccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)c1O ZINC001203613918 1312971211 /nfs/dbraw/zinc/97/12/11/1312971211.db2.gz JXOYSJRCQMKEPD-SFHVURJKSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC000883003158 1293424245 /nfs/dbraw/zinc/42/42/45/1293424245.db2.gz BCFAZLDMHLLXNW-CXAGYDPISA-N 2 2 342.430 2.897 20 10 EFCDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC000883003158 1293424250 /nfs/dbraw/zinc/42/42/50/1293424250.db2.gz BCFAZLDMHLLXNW-CXAGYDPISA-N 2 2 342.430 2.897 20 10 EFCDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)C1 ZINC000883003161 1293424469 /nfs/dbraw/zinc/42/44/69/1293424469.db2.gz BCFAZLDMHLLXNW-SUMWQHHRSA-N 2 2 342.430 2.897 20 10 EFCDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)C1 ZINC000883003161 1293424476 /nfs/dbraw/zinc/42/44/76/1293424476.db2.gz BCFAZLDMHLLXNW-SUMWQHHRSA-N 2 2 342.430 2.897 20 10 EFCDLP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000883015288 1293431181 /nfs/dbraw/zinc/43/11/81/1293431181.db2.gz OGQFEFAFIYJIEF-STQMWFEESA-N 2 2 328.403 2.649 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)c(OC)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235807784 1313401264 /nfs/dbraw/zinc/40/12/64/1313401264.db2.gz WOTUUZWXSSDLHJ-CQSZACIVSA-N 2 2 342.867 2.645 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235807784 1313401268 /nfs/dbraw/zinc/40/12/68/1313401268.db2.gz WOTUUZWXSSDLHJ-CQSZACIVSA-N 2 2 342.867 2.645 20 10 EFCDLP CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010910 1313431302 /nfs/dbraw/zinc/43/13/02/1313431302.db2.gz UEQXPQQJUZPVIA-ZDUSSCGKSA-N 2 2 332.366 2.907 20 10 EFCDLP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010910 1313431304 /nfs/dbraw/zinc/43/13/04/1313431304.db2.gz UEQXPQQJUZPVIA-ZDUSSCGKSA-N 2 2 332.366 2.907 20 10 EFCDLP CC[N@H+](Cc1cc(Br)c(OC)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010461 1313431446 /nfs/dbraw/zinc/43/14/46/1313431446.db2.gz SKEXGEQIRURQGM-GFCCVEGCSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@@H+](Cc1cc(Br)c(OC)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010461 1313431450 /nfs/dbraw/zinc/43/14/50/1313431450.db2.gz SKEXGEQIRURQGM-GFCCVEGCSA-N 2 2 343.265 2.737 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321034 1313469392 /nfs/dbraw/zinc/46/93/92/1313469392.db2.gz NTJMWXYJWWTLAE-PHIMTYICSA-N 2 2 343.240 2.725 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321034 1313469396 /nfs/dbraw/zinc/46/93/96/1313469396.db2.gz NTJMWXYJWWTLAE-PHIMTYICSA-N 2 2 343.240 2.725 20 10 EFCDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206574207 1313478061 /nfs/dbraw/zinc/47/80/61/1313478061.db2.gz QLXPMSUQTBPGJX-OAHLLOKOSA-N 2 2 343.265 2.811 20 10 EFCDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206574207 1313478065 /nfs/dbraw/zinc/47/80/65/1313478065.db2.gz QLXPMSUQTBPGJX-OAHLLOKOSA-N 2 2 343.265 2.811 20 10 EFCDLP Oc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001206721999 1313497638 /nfs/dbraw/zinc/49/76/38/1313497638.db2.gz IXHNJCXMHKREJX-UHFFFAOYSA-N 2 2 338.451 2.783 20 10 EFCDLP Oc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001206721999 1313497640 /nfs/dbraw/zinc/49/76/40/1313497640.db2.gz IXHNJCXMHKREJX-UHFFFAOYSA-N 2 2 338.451 2.783 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC001236670974 1313506753 /nfs/dbraw/zinc/50/67/53/1313506753.db2.gz QYUHCZHQVDHDHW-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC001236670974 1313506756 /nfs/dbraw/zinc/50/67/56/1313506756.db2.gz QYUHCZHQVDHDHW-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC001236670974 1313506760 /nfs/dbraw/zinc/50/67/60/1313506760.db2.gz QYUHCZHQVDHDHW-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC001236670974 1313506762 /nfs/dbraw/zinc/50/67/62/1313506762.db2.gz QYUHCZHQVDHDHW-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001236786442 1313528406 /nfs/dbraw/zinc/52/84/06/1313528406.db2.gz PAHNUTWXCKZBMJ-WOJBJXKFSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001236786466 1313528723 /nfs/dbraw/zinc/52/87/23/1313528723.db2.gz DPHWRAAXBVLHGY-RTBURBONSA-N 2 2 337.467 2.913 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)c(O)c1 ZINC001237043437 1313573879 /nfs/dbraw/zinc/57/38/79/1313573879.db2.gz OCUAJMLTRUZXEN-SFHVURJKSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)c(O)c1 ZINC001237043437 1313573882 /nfs/dbraw/zinc/57/38/82/1313573882.db2.gz OCUAJMLTRUZXEN-SFHVURJKSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(O)c1 ZINC001237048586 1313576043 /nfs/dbraw/zinc/57/60/43/1313576043.db2.gz UIPGCKFZVIGDQH-UHFFFAOYSA-N 2 2 348.487 2.866 20 10 EFCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383895 1313634085 /nfs/dbraw/zinc/63/40/85/1313634085.db2.gz SFICNZOMYUGDNK-SMDDNHRTSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383895 1313634089 /nfs/dbraw/zinc/63/40/89/1313634089.db2.gz SFICNZOMYUGDNK-SMDDNHRTSA-N 2 2 325.250 2.729 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413111 1313641037 /nfs/dbraw/zinc/64/10/37/1313641037.db2.gz JHMKHJXBZUFYGZ-APWZRJJASA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413111 1313641041 /nfs/dbraw/zinc/64/10/41/1313641041.db2.gz JHMKHJXBZUFYGZ-APWZRJJASA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237413115 1313641160 /nfs/dbraw/zinc/64/11/60/1313641160.db2.gz JHMKHJXBZUFYGZ-QFBILLFUSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237413115 1313641163 /nfs/dbraw/zinc/64/11/63/1313641163.db2.gz JHMKHJXBZUFYGZ-QFBILLFUSA-N 2 2 349.906 2.751 20 10 EFCDLP COCC[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC[NH+](C)CC1 ZINC001237687554 1313692262 /nfs/dbraw/zinc/69/22/62/1313692262.db2.gz LVDAYFGRQALFSN-UHFFFAOYSA-N 2 2 326.868 2.897 20 10 EFCDLP COCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CC[NH+](C)CC1 ZINC001237687554 1313692265 /nfs/dbraw/zinc/69/22/65/1313692265.db2.gz LVDAYFGRQALFSN-UHFFFAOYSA-N 2 2 326.868 2.897 20 10 EFCDLP Oc1c(F)cccc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276537833 1313704846 /nfs/dbraw/zinc/70/48/46/1313704846.db2.gz NOKNZVABBXNAKT-MOPGFXCFSA-N 2 2 344.434 2.979 20 10 EFCDLP Cc1cc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)nc(C)[nH+]1 ZINC001238060659 1313753258 /nfs/dbraw/zinc/75/32/58/1313753258.db2.gz DMFUCDGZVKRJTB-UHFFFAOYSA-N 2 2 330.407 2.569 20 10 EFCDLP COC1CC[NH+](C2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)CC1 ZINC001238067877 1313754897 /nfs/dbraw/zinc/75/48/97/1313754897.db2.gz QUHHTXFPRPAIPR-UHFFFAOYSA-N 2 2 336.451 2.915 20 10 EFCDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862250292 1302322914 /nfs/dbraw/zinc/32/29/14/1302322914.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862250292 1302322924 /nfs/dbraw/zinc/32/29/24/1302322924.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862250292 1302322934 /nfs/dbraw/zinc/32/29/34/1302322934.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862250292 1302322903 /nfs/dbraw/zinc/32/29/03/1302322903.db2.gz MOKYLZDGJHQZQB-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)c(O)c1 ZINC001210398252 1314326552 /nfs/dbraw/zinc/32/65/52/1314326552.db2.gz CNFQWIMBCYQFMS-IBGZPJMESA-N 2 2 349.519 2.958 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCO[C@@H](C[NH3+])C2)c(O)c1 ZINC001210398252 1314326555 /nfs/dbraw/zinc/32/65/55/1314326555.db2.gz CNFQWIMBCYQFMS-IBGZPJMESA-N 2 2 349.519 2.958 20 10 EFCDLP CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000801597499 1310574902 /nfs/dbraw/zinc/57/49/02/1310574902.db2.gz IKGHAKAIJDZEBS-QGZVFWFLSA-N 2 2 347.503 2.547 20 10 EFCDLP CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000801597499 1310574912 /nfs/dbraw/zinc/57/49/12/1310574912.db2.gz IKGHAKAIJDZEBS-QGZVFWFLSA-N 2 2 347.503 2.547 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(Br)cc3O)C[C@@H]2C1 ZINC001250136230 1315178089 /nfs/dbraw/zinc/17/80/89/1315178089.db2.gz OQQRVLOSOZBHSR-KBPBESRZSA-N 2 2 339.277 2.847 20 10 EFCDLP CC(C)c1ccc(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)c(O)c1 ZINC001276814662 1315429218 /nfs/dbraw/zinc/42/92/18/1315429218.db2.gz JTLIWTXFNRUYJH-UHFFFAOYSA-N 2 2 340.471 2.530 20 10 EFCDLP C[NH+]1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000743645482 1323059187 /nfs/dbraw/zinc/05/91/87/1323059187.db2.gz RXAWJDNEWMXQHL-UHFFFAOYSA-N 2 2 332.448 2.769 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C2CC2)O1 ZINC001339602688 1331910112 /nfs/dbraw/zinc/91/01/12/1331910112.db2.gz AFLCCZRAUMEWHS-FOIQADDNSA-N 2 2 347.478 2.577 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C2CC2)O1 ZINC001339602688 1331910114 /nfs/dbraw/zinc/91/01/14/1331910114.db2.gz AFLCCZRAUMEWHS-FOIQADDNSA-N 2 2 347.478 2.577 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848552945 1334790872 /nfs/dbraw/zinc/79/08/72/1334790872.db2.gz GRABUTANGHNDJL-DYESRHJHSA-N 2 2 345.531 2.835 20 10 EFCDLP Fc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1N1CCOCC1 ZINC000848575655 1334803383 /nfs/dbraw/zinc/80/33/83/1334803383.db2.gz URHNGCNDMAYWOF-ICSRJNTNSA-N 2 2 347.478 2.769 20 10 EFCDLP Fc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1N1CCOCC1 ZINC000848575655 1334803387 /nfs/dbraw/zinc/80/33/87/1334803387.db2.gz URHNGCNDMAYWOF-ICSRJNTNSA-N 2 2 347.478 2.769 20 10 EFCDLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1O ZINC000849350181 1335596596 /nfs/dbraw/zinc/59/65/96/1335596596.db2.gz TZQQAYPPXROUKN-IAGOWNOFSA-N 2 2 330.403 2.775 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000048797160 715508304 /nfs/dbraw/zinc/50/83/04/715508304.db2.gz RPHOYPIHWYOFRE-NSHDSACASA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000048797160 715508306 /nfs/dbraw/zinc/50/83/06/715508306.db2.gz RPHOYPIHWYOFRE-NSHDSACASA-N 2 2 325.250 2.729 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ocnc3C)cc2F)CC1 ZINC000894233782 721352394 /nfs/dbraw/zinc/35/23/94/721352394.db2.gz NPVZYQYXGMOQOX-UHFFFAOYSA-N 2 2 332.423 2.554 20 10 EFCDLP COc1cc(O)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1OC ZINC000896194833 723198791 /nfs/dbraw/zinc/19/87/91/723198791.db2.gz GLOWYMLVJUFSEK-UHFFFAOYSA-N 2 2 343.427 2.881 20 10 EFCDLP C[C@H]1Cc2cc(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861171 1089492982 /nfs/dbraw/zinc/49/29/82/1089492982.db2.gz BUSSBAQNZISFDO-IFXJQAMLSA-N 2 2 325.456 2.866 20 10 EFCDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590688172 1093549107 /nfs/dbraw/zinc/54/91/07/1093549107.db2.gz XCULRDPHZYNWCC-ZIAGYGMSSA-N 2 2 346.479 2.733 20 10 EFCDLP C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CCO1 ZINC001168094825 1103176940 /nfs/dbraw/zinc/17/69/40/1103176940.db2.gz ZQAWINFNWBXRBR-AFHBHXEDSA-N 2 2 342.439 2.996 20 10 EFCDLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142524789 1106134957 /nfs/dbraw/zinc/13/49/57/1106134957.db2.gz KWRJOEHLZYBPRD-UHFFFAOYSA-N 2 2 341.446 2.520 20 10 EFCDLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898449415 1108943157 /nfs/dbraw/zinc/94/31/57/1108943157.db2.gz DYVSJLCFZKBJPX-HXUWFJFHSA-N 2 2 332.536 2.819 20 10 EFCDLP CN(C)c1ccc([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000898450876 1108944170 /nfs/dbraw/zinc/94/41/70/1108944170.db2.gz UQAUKWILNDYIMK-NRFANRHFSA-N 2 2 344.547 2.819 20 10 EFCDLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(Br)c1O)CC2 ZINC001235305734 1111732770 /nfs/dbraw/zinc/73/27/70/1111732770.db2.gz PYUVKSPFJMIRLD-UHFFFAOYSA-N 2 2 343.240 2.821 20 10 EFCDLP Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172935495 239176706 /nfs/dbraw/zinc/17/67/06/239176706.db2.gz JLNPPQCQTQDAJL-MRXNPFEDSA-N 2 2 326.440 2.700 20 10 EFCDLP Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172935495 239176714 /nfs/dbraw/zinc/17/67/14/239176714.db2.gz JLNPPQCQTQDAJL-MRXNPFEDSA-N 2 2 326.440 2.700 20 10 EFCDLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000184900308 287024942 /nfs/dbraw/zinc/02/49/42/287024942.db2.gz NXDYIWKMYPOWDC-GFCCVEGCSA-N 2 2 346.302 2.987 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908161 278355197 /nfs/dbraw/zinc/35/51/97/278355197.db2.gz MGMUQTUYROGGTM-NQIIRXRSSA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908161 278355198 /nfs/dbraw/zinc/35/51/98/278355198.db2.gz MGMUQTUYROGGTM-NQIIRXRSSA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1O ZINC000185042024 473310108 /nfs/dbraw/zinc/31/01/08/473310108.db2.gz VBBZTALBESRCEL-AWEZNQCLSA-N 2 2 344.434 2.529 20 10 EFCDLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093017907 473027739 /nfs/dbraw/zinc/02/77/39/473027739.db2.gz KWTDBZQKCNGZPL-KRWDZBQOSA-N 2 2 348.487 2.725 20 10 EFCDLP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093017907 473027746 /nfs/dbraw/zinc/02/77/46/473027746.db2.gz KWTDBZQKCNGZPL-KRWDZBQOSA-N 2 2 348.487 2.725 20 10 EFCDLP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093017905 473028833 /nfs/dbraw/zinc/02/88/33/473028833.db2.gz KWTDBZQKCNGZPL-QGZVFWFLSA-N 2 2 348.487 2.725 20 10 EFCDLP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093017905 473028836 /nfs/dbraw/zinc/02/88/36/473028836.db2.gz KWTDBZQKCNGZPL-QGZVFWFLSA-N 2 2 348.487 2.725 20 10 EFCDLP CCN(CC)c1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093413010 473104027 /nfs/dbraw/zinc/10/40/27/473104027.db2.gz KTECMXFSCIEACT-UHFFFAOYSA-N 2 2 333.520 2.811 20 10 EFCDLP CCN(CC)c1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093413010 473104030 /nfs/dbraw/zinc/10/40/30/473104030.db2.gz KTECMXFSCIEACT-UHFFFAOYSA-N 2 2 333.520 2.811 20 10 EFCDLP COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000160405114 473118271 /nfs/dbraw/zinc/11/82/71/473118271.db2.gz YKMGAMGEDFMODZ-ZFWWWQNUSA-N 2 2 331.416 2.689 20 10 EFCDLP COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000160405114 473118278 /nfs/dbraw/zinc/11/82/78/473118278.db2.gz YKMGAMGEDFMODZ-ZFWWWQNUSA-N 2 2 331.416 2.689 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093665346 473131964 /nfs/dbraw/zinc/13/19/64/473131964.db2.gz HTHAJSAVSXXADM-IBGZPJMESA-N 2 2 331.504 2.687 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093665346 473131967 /nfs/dbraw/zinc/13/19/67/473131967.db2.gz HTHAJSAVSXXADM-IBGZPJMESA-N 2 2 331.504 2.687 20 10 EFCDLP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191202331 473505951 /nfs/dbraw/zinc/50/59/51/473505951.db2.gz OIQZZOMZEPGCBT-CQSZACIVSA-N 2 2 341.446 2.739 20 10 EFCDLP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287696010 473736417 /nfs/dbraw/zinc/73/64/17/473736417.db2.gz NKSJAUMKCLWOKQ-MRXNPFEDSA-N 2 2 325.884 2.724 20 10 EFCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000180047331 473785453 /nfs/dbraw/zinc/78/54/53/473785453.db2.gz KDNWDYADLDJWHY-UHFFFAOYSA-N 2 2 333.819 2.771 20 10 EFCDLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187699015 473905766 /nfs/dbraw/zinc/90/57/66/473905766.db2.gz HZTRRDNPBHLCNL-ZIAGYGMSSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1O ZINC000276992139 474575924 /nfs/dbraw/zinc/57/59/24/474575924.db2.gz XPBVQMOLQJFDAU-KNXALSJPSA-N 2 2 340.414 2.699 20 10 EFCDLP COc1c(O)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604062 /nfs/dbraw/zinc/60/40/62/474604062.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604066 /nfs/dbraw/zinc/60/40/66/474604066.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604067 /nfs/dbraw/zinc/60/40/67/474604067.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000278202714 474604069 /nfs/dbraw/zinc/60/40/69/474604069.db2.gz JIWJMPPAMCSUEL-CQSZACIVSA-N 2 2 337.420 2.615 20 10 EFCDLP COc1c(O)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278538277 474689424 /nfs/dbraw/zinc/68/94/24/474689424.db2.gz WTAOITKJOJPLMC-UHFFFAOYSA-N 2 2 349.431 2.806 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000268454826 474989602 /nfs/dbraw/zinc/98/96/02/474989602.db2.gz JIODOPCPSVBDPF-INIZCTEOSA-N 2 2 335.467 2.831 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000268454826 474989610 /nfs/dbraw/zinc/98/96/10/474989610.db2.gz JIODOPCPSVBDPF-INIZCTEOSA-N 2 2 335.467 2.831 20 10 EFCDLP COCCC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000268730600 475040152 /nfs/dbraw/zinc/04/01/52/475040152.db2.gz LXUHFJQNLXWWDB-GOSISDBHSA-N 2 2 349.519 2.612 20 10 EFCDLP COCCC[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000268730601 475040602 /nfs/dbraw/zinc/04/06/02/475040602.db2.gz LXUHFJQNLXWWDB-SFHVURJKSA-N 2 2 349.519 2.612 20 10 EFCDLP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287572442 475200223 /nfs/dbraw/zinc/20/02/23/475200223.db2.gz GWQUXZRHCNYWNB-YOEHRIQHSA-N 2 2 339.911 2.970 20 10 EFCDLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756535862 575756685 /nfs/dbraw/zinc/75/66/85/575756685.db2.gz RXTYBHPAACSUHG-ZIAGYGMSSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1O ZINC000756562967 575762832 /nfs/dbraw/zinc/76/28/32/575762832.db2.gz KJQXMMHWFLLCRI-OCCSQVGLSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1O ZINC000756562967 575762834 /nfs/dbraw/zinc/76/28/34/575762834.db2.gz KJQXMMHWFLLCRI-OCCSQVGLSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1O ZINC000756572606 575764476 /nfs/dbraw/zinc/76/44/76/575764476.db2.gz HBQMCAKXOWSHRI-DOMZBBRYSA-N 2 2 340.414 2.964 20 10 EFCDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781183 577076389 /nfs/dbraw/zinc/07/63/89/577076389.db2.gz OBJWXSGJWFTIEF-HOCLYGCPSA-N 2 2 333.451 2.550 20 10 EFCDLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781183 577076392 /nfs/dbraw/zinc/07/63/92/577076392.db2.gz OBJWXSGJWFTIEF-HOCLYGCPSA-N 2 2 333.451 2.550 20 10 EFCDLP COc1ccc(N2CCC([NH2+]C[C@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC000766437517 577149892 /nfs/dbraw/zinc/14/98/92/577149892.db2.gz CYWMDJBPSQQDLV-LJQANCHMSA-N 2 2 349.544 2.691 20 10 EFCDLP CCOC(=O)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000768523699 577280582 /nfs/dbraw/zinc/28/05/82/577280582.db2.gz GCTUHMSUJDRVAS-GOSISDBHSA-N 2 2 347.503 2.506 20 10 EFCDLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c[nH+]1 ZINC000769310660 577351238 /nfs/dbraw/zinc/35/12/38/577351238.db2.gz IYNSLQJAINJBOZ-IBGZPJMESA-N 2 2 326.444 2.557 20 10 EFCDLP c1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c[nH+]1 ZINC000769310660 577351240 /nfs/dbraw/zinc/35/12/40/577351240.db2.gz IYNSLQJAINJBOZ-IBGZPJMESA-N 2 2 326.444 2.557 20 10 EFCDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405376 577360179 /nfs/dbraw/zinc/36/01/79/577360179.db2.gz UTWNUCZSQZMSBN-QGZVFWFLSA-N 2 2 346.475 2.969 20 10 EFCDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405376 577360181 /nfs/dbraw/zinc/36/01/81/577360181.db2.gz UTWNUCZSQZMSBN-QGZVFWFLSA-N 2 2 346.475 2.969 20 10 EFCDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000691446127 1274068394 /nfs/dbraw/zinc/06/83/94/1274068394.db2.gz RQCOFZYOPUHMET-UHFFFAOYSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705684328 1274167400 /nfs/dbraw/zinc/16/74/00/1274167400.db2.gz GGNGMDKGWJBOHO-LJQANCHMSA-N 2 2 346.858 2.772 20 10 EFCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705684328 1274167405 /nfs/dbraw/zinc/16/74/05/1274167405.db2.gz GGNGMDKGWJBOHO-LJQANCHMSA-N 2 2 346.858 2.772 20 10 EFCDLP Oc1cccc(Br)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000706853839 1275053573 /nfs/dbraw/zinc/05/35/73/1275053573.db2.gz ATZJPWYGGZNOMA-LLVKDONJSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000706853839 1275053584 /nfs/dbraw/zinc/05/35/84/1275053584.db2.gz ATZJPWYGGZNOMA-LLVKDONJSA-N 2 2 325.250 2.729 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817893124 1276363647 /nfs/dbraw/zinc/36/36/47/1276363647.db2.gz FCDNWFBJKRTKKC-OXJNMPFZSA-N 2 2 331.504 2.516 20 10 EFCDLP CCN(CC)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000817903943 1276369139 /nfs/dbraw/zinc/36/91/39/1276369139.db2.gz XKCGDVOJPAEJEW-RTBURBONSA-N 2 2 335.467 2.529 20 10 EFCDLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939062 1276385637 /nfs/dbraw/zinc/38/56/37/1276385637.db2.gz YKXJEMQDBNWJSB-BEFAXECRSA-N 2 2 340.471 2.759 20 10 EFCDLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939065 1276385857 /nfs/dbraw/zinc/38/58/57/1276385857.db2.gz YKXJEMQDBNWJSB-KXBFYZLASA-N 2 2 340.471 2.759 20 10 EFCDLP Cc1noc(C2CCC([NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)CC2)n1 ZINC000817944333 1276389437 /nfs/dbraw/zinc/38/94/37/1276389437.db2.gz ZHUWGDWPQIZWLV-HTWSVDAQSA-N 2 2 343.475 2.760 20 10 EFCDLP COc1ccc([C@@H]([NH2+]CCc2ccc(N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817956919 1276397814 /nfs/dbraw/zinc/39/78/14/1276397814.db2.gz FYBKHILBZIVNHQ-WOJBJXKFSA-N 2 2 325.456 2.903 20 10 EFCDLP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790992269 1277895178 /nfs/dbraw/zinc/89/51/78/1277895178.db2.gz WEKXUAVYSFKKAP-UHFFFAOYSA-N 2 2 343.874 2.690 20 10 EFCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815577441 1287608869 /nfs/dbraw/zinc/60/88/69/1287608869.db2.gz QCSYGUDBPWTWCI-OLZOCXBDSA-N 2 2 345.409 2.698 20 10 EFCDLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000815573660 1287631237 /nfs/dbraw/zinc/63/12/37/1287631237.db2.gz PUDIJCUBIUCXGF-IAGOWNOFSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000815573660 1287631247 /nfs/dbraw/zinc/63/12/47/1287631247.db2.gz PUDIJCUBIUCXGF-IAGOWNOFSA-N 2 2 347.503 2.602 20 10 EFCDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715793487 1284331903 /nfs/dbraw/zinc/33/19/03/1284331903.db2.gz VYZBUDUACCHPNV-SNVBAGLBSA-N 2 2 331.229 2.725 20 10 EFCDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715793487 1284331908 /nfs/dbraw/zinc/33/19/08/1284331908.db2.gz VYZBUDUACCHPNV-SNVBAGLBSA-N 2 2 331.229 2.725 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000715779450 1284329850 /nfs/dbraw/zinc/32/98/50/1284329850.db2.gz PFJZZKZVJHVHTP-JTQLQIEISA-N 2 2 343.240 2.868 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000715779450 1284329872 /nfs/dbraw/zinc/32/98/72/1284329872.db2.gz PFJZZKZVJHVHTP-JTQLQIEISA-N 2 2 343.240 2.868 20 10 EFCDLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1N(C)C ZINC000852008929 1299499771 /nfs/dbraw/zinc/49/97/71/1299499771.db2.gz JVROXNBGKIJWKO-LJQANCHMSA-N 2 2 331.504 2.748 20 10 EFCDLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1N(C)C ZINC000852008929 1299499779 /nfs/dbraw/zinc/49/97/79/1299499779.db2.gz JVROXNBGKIJWKO-LJQANCHMSA-N 2 2 331.504 2.748 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CS[C@H](C)C3)CC2)cc1 ZINC000876900810 1291065144 /nfs/dbraw/zinc/06/51/44/1291065144.db2.gz RJNCFUCXCPQKBZ-SJORKVTESA-N 2 2 349.544 2.691 20 10 EFCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093769918 1291214039 /nfs/dbraw/zinc/21/40/39/1291214039.db2.gz CKGGJKJTUYXNLF-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093769918 1291214035 /nfs/dbraw/zinc/21/40/35/1291214035.db2.gz CKGGJKJTUYXNLF-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CC[NH+](C)CC1 ZINC001233289786 1312896559 /nfs/dbraw/zinc/89/65/59/1312896559.db2.gz OFWFYHIGMGBBOU-UHFFFAOYSA-N 2 2 342.867 2.597 20 10 EFCDLP COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CC[NH+](C)CC1 ZINC001233289786 1312896564 /nfs/dbraw/zinc/89/65/64/1312896564.db2.gz OFWFYHIGMGBBOU-UHFFFAOYSA-N 2 2 342.867 2.597 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001203551502 1312954017 /nfs/dbraw/zinc/95/40/17/1312954017.db2.gz GERZJEYAZKSGEP-UHFFFAOYSA-N 2 2 342.439 2.852 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001203551502 1312954019 /nfs/dbraw/zinc/95/40/19/1312954019.db2.gz GERZJEYAZKSGEP-UHFFFAOYSA-N 2 2 342.439 2.852 20 10 EFCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccccc1O)CC2 ZINC001203551722 1312954141 /nfs/dbraw/zinc/95/41/41/1312954141.db2.gz LNTYLGNZPOZXME-UHFFFAOYSA-N 2 2 328.460 2.790 20 10 EFCDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccccc1O)CC2 ZINC001203551722 1312954143 /nfs/dbraw/zinc/95/41/43/1312954143.db2.gz LNTYLGNZPOZXME-UHFFFAOYSA-N 2 2 328.460 2.790 20 10 EFCDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203650618 1312981272 /nfs/dbraw/zinc/98/12/72/1312981272.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 2 2 339.277 2.928 20 10 EFCDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203650618 1312981276 /nfs/dbraw/zinc/98/12/76/1312981276.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 2 2 339.277 2.928 20 10 EFCDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203650618 1312981280 /nfs/dbraw/zinc/98/12/80/1312981280.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 2 2 339.277 2.928 20 10 EFCDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203650618 1312981284 /nfs/dbraw/zinc/98/12/84/1312981284.db2.gz YAWTTYCXORBDHO-OKILXGFUSA-N 2 2 339.277 2.928 20 10 EFCDLP Oc1c(F)cc(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000775652181 1293903419 /nfs/dbraw/zinc/90/34/19/1293903419.db2.gz GJQOFBSESOXBFT-UHFFFAOYSA-N 2 2 342.842 2.729 20 10 EFCDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203933708 1313050667 /nfs/dbraw/zinc/05/06/67/1313050667.db2.gz GPRQSAZHYMUIAW-HXUWFJFHSA-N 2 2 331.504 2.828 20 10 EFCDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203933708 1313050669 /nfs/dbraw/zinc/05/06/69/1313050669.db2.gz GPRQSAZHYMUIAW-HXUWFJFHSA-N 2 2 331.504 2.828 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203932149 1313050201 /nfs/dbraw/zinc/05/02/01/1313050201.db2.gz UCLCVQQWYYMDQI-KDURUIRLSA-N 2 2 336.483 2.711 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203932149 1313050205 /nfs/dbraw/zinc/05/02/05/1313050205.db2.gz UCLCVQQWYYMDQI-KDURUIRLSA-N 2 2 336.483 2.711 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203932149 1313050209 /nfs/dbraw/zinc/05/02/09/1313050209.db2.gz UCLCVQQWYYMDQI-KDURUIRLSA-N 2 2 336.483 2.711 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203932149 1313050214 /nfs/dbraw/zinc/05/02/14/1313050214.db2.gz UCLCVQQWYYMDQI-KDURUIRLSA-N 2 2 336.483 2.711 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001205015361 1313221451 /nfs/dbraw/zinc/22/14/51/1313221451.db2.gz CBWIEAUQDNFAKS-OAHLLOKOSA-N 2 2 343.471 2.786 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001205015361 1313221455 /nfs/dbraw/zinc/22/14/55/1313221455.db2.gz CBWIEAUQDNFAKS-OAHLLOKOSA-N 2 2 343.471 2.786 20 10 EFCDLP Oc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246415 /nfs/dbraw/zinc/24/64/15/1296246415.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246425 /nfs/dbraw/zinc/24/64/25/1296246425.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246436 /nfs/dbraw/zinc/24/64/36/1296246436.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267474 1296246442 /nfs/dbraw/zinc/24/64/42/1296246442.db2.gz PIGMONUSOJXQGB-IBGZPJMESA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246829 /nfs/dbraw/zinc/24/68/29/1296246829.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 2 2 340.471 2.994 20 10 EFCDLP Oc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246836 /nfs/dbraw/zinc/24/68/36/1296246836.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 2 2 340.471 2.994 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246844 /nfs/dbraw/zinc/24/68/44/1296246844.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 2 2 340.471 2.994 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267197 1296246847 /nfs/dbraw/zinc/24/68/47/1296246847.db2.gz KWCPPUIGURZURL-HXUWFJFHSA-N 2 2 340.471 2.994 20 10 EFCDLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001205580259 1313317107 /nfs/dbraw/zinc/31/71/07/1313317107.db2.gz RUJKPQYHSLHKDL-CQSZACIVSA-N 2 2 349.219 2.947 20 10 EFCDLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001205580259 1313317111 /nfs/dbraw/zinc/31/71/11/1313317111.db2.gz RUJKPQYHSLHKDL-CQSZACIVSA-N 2 2 349.219 2.947 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003466 1313389911 /nfs/dbraw/zinc/38/99/11/1313389911.db2.gz IHHGBRPYYZWMQB-KBPBESRZSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206003466 1313389914 /nfs/dbraw/zinc/38/99/14/1313389914.db2.gz IHHGBRPYYZWMQB-KBPBESRZSA-N 2 2 330.428 2.614 20 10 EFCDLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001236030054 1313432019 /nfs/dbraw/zinc/43/20/19/1313432019.db2.gz VGLCWMIRKDBKMW-BDJLRTHQSA-N 2 2 333.229 2.841 20 10 EFCDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001236030054 1313432021 /nfs/dbraw/zinc/43/20/21/1313432021.db2.gz VGLCWMIRKDBKMW-BDJLRTHQSA-N 2 2 333.229 2.841 20 10 EFCDLP COc1cc(Br)cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1O ZINC001236200037 1313455201 /nfs/dbraw/zinc/45/52/01/1313455201.db2.gz HSYWWKSKHPBVFM-OAHLLOKOSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(Br)cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1O ZINC001236200037 1313455202 /nfs/dbraw/zinc/45/52/02/1313455202.db2.gz HSYWWKSKHPBVFM-OAHLLOKOSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238514 1313459554 /nfs/dbraw/zinc/45/95/54/1313459554.db2.gz FUNJBKBYPPBWGI-OAQYLSRUSA-N 3 2 342.531 2.545 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238514 1313459555 /nfs/dbraw/zinc/45/95/55/1313459555.db2.gz FUNJBKBYPPBWGI-OAQYLSRUSA-N 3 2 342.531 2.545 20 10 EFCDLP CC[N@H+](Cc1cc(O)c(Br)cc1O)C1CC[NH+](C)CC1 ZINC001236775499 1313526887 /nfs/dbraw/zinc/52/68/87/1313526887.db2.gz MYUXIPHNTIIWDT-UHFFFAOYSA-N 2 2 343.265 2.776 20 10 EFCDLP CC[N@@H+](Cc1cc(O)c(Br)cc1O)C1CC[NH+](C)CC1 ZINC001236775499 1313526891 /nfs/dbraw/zinc/52/68/91/1313526891.db2.gz MYUXIPHNTIIWDT-UHFFFAOYSA-N 2 2 343.265 2.776 20 10 EFCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236832414 1313538287 /nfs/dbraw/zinc/53/82/87/1313538287.db2.gz MTQYFZQAZQQYQP-AZUAARDMSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236832414 1313538291 /nfs/dbraw/zinc/53/82/91/1313538291.db2.gz MTQYFZQAZQQYQP-AZUAARDMSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236832414 1313538296 /nfs/dbraw/zinc/53/82/96/1313538296.db2.gz MTQYFZQAZQQYQP-AZUAARDMSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236832414 1313538299 /nfs/dbraw/zinc/53/82/99/1313538299.db2.gz MTQYFZQAZQQYQP-AZUAARDMSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[N@H+](Cc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236937458 1313557054 /nfs/dbraw/zinc/55/70/54/1313557054.db2.gz INVJQAZDBAFEMG-UHFFFAOYSA-N 2 2 342.462 2.995 20 10 EFCDLP CC[N@@H+](Cc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236937458 1313557056 /nfs/dbraw/zinc/55/70/56/1313557056.db2.gz INVJQAZDBAFEMG-UHFFFAOYSA-N 2 2 342.462 2.995 20 10 EFCDLP COCCC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236949803 1313560049 /nfs/dbraw/zinc/56/00/49/1313560049.db2.gz XLTIGYJXBYUFLP-FQEVSTJZSA-N 2 2 343.515 2.586 20 10 EFCDLP COCCC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236949803 1313560051 /nfs/dbraw/zinc/56/00/51/1313560051.db2.gz XLTIGYJXBYUFLP-FQEVSTJZSA-N 2 2 343.515 2.586 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCCC3)cc2Br)CC1 ZINC001237091090 1313585022 /nfs/dbraw/zinc/58/50/22/1313585022.db2.gz WXJLDQIWMSTALY-UHFFFAOYSA-N 2 2 338.293 2.797 20 10 EFCDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237121155 1313590873 /nfs/dbraw/zinc/59/08/73/1313590873.db2.gz KPWADLSISCORKP-UHFFFAOYSA-N 2 2 341.814 2.815 20 10 EFCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383893 1313633171 /nfs/dbraw/zinc/63/31/71/1313633171.db2.gz SFICNZOMYUGDNK-FZMZJTMJSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383893 1313633175 /nfs/dbraw/zinc/63/31/75/1313633175.db2.gz SFICNZOMYUGDNK-FZMZJTMJSA-N 2 2 325.250 2.729 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC001237680781 1313690102 /nfs/dbraw/zinc/69/01/02/1313690102.db2.gz FIPIMFYOIKREHL-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Br ZINC001237680781 1313690104 /nfs/dbraw/zinc/69/01/04/1313690104.db2.gz FIPIMFYOIKREHL-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Br ZINC001237680781 1313690107 /nfs/dbraw/zinc/69/01/07/1313690107.db2.gz FIPIMFYOIKREHL-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Br ZINC001237680781 1313690111 /nfs/dbraw/zinc/69/01/11/1313690111.db2.gz FIPIMFYOIKREHL-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)CC1 ZINC001222354853 1311118535 /nfs/dbraw/zinc/11/85/35/1311118535.db2.gz OIDPWFIJXAQGGE-NRFANRHFSA-N 3 2 342.531 2.547 20 10 EFCDLP Oc1c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001222427916 1311129431 /nfs/dbraw/zinc/12/94/31/1311129431.db2.gz XTGNOYJXXLQKTP-NRFANRHFSA-N 2 2 341.499 2.809 20 10 EFCDLP Oc1c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001222427916 1311129433 /nfs/dbraw/zinc/12/94/33/1311129433.db2.gz XTGNOYJXXLQKTP-NRFANRHFSA-N 2 2 341.499 2.809 20 10 EFCDLP Cc1ccc(C)n1-c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497299 1311141555 /nfs/dbraw/zinc/14/15/55/1311141555.db2.gz BMGULWBUBUJONZ-SFTDATJTSA-N 2 2 338.499 2.620 20 10 EFCDLP Oc1cc2ccccc2cc1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160206920 1311664791 /nfs/dbraw/zinc/66/47/91/1311664791.db2.gz PNOZTEONCHRUCF-UHFFFAOYSA-N 2 2 334.423 2.962 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483501 1311784208 /nfs/dbraw/zinc/78/42/08/1311784208.db2.gz QXFVVGCLMCTVCG-DOTOQJQBSA-N 2 2 335.467 2.845 20 10 EFCDLP C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000902518967 1311828142 /nfs/dbraw/zinc/82/81/42/1311828142.db2.gz VGLLOFVQTSTLNN-LIRRHRJNSA-N 2 2 327.476 2.514 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1Cl ZINC001231869620 1312578041 /nfs/dbraw/zinc/57/80/41/1312578041.db2.gz SULWTQRHQLMLPK-UHFFFAOYSA-N 2 2 337.851 2.984 20 10 EFCDLP Cc1cc(N2CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)cc[nH+]1 ZINC001232266471 1312662376 /nfs/dbraw/zinc/66/23/76/1312662376.db2.gz UIMSMIZSRYVJMF-UHFFFAOYSA-N 2 2 333.819 2.777 20 10 EFCDLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)cc1Br ZINC001250117420 1315174817 /nfs/dbraw/zinc/17/48/17/1315174817.db2.gz OSVWGFBGEBIMHQ-UHFFFAOYSA-N 2 2 327.266 2.989 20 10 EFCDLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)cc1Br ZINC001250117420 1315174820 /nfs/dbraw/zinc/17/48/20/1315174820.db2.gz OSVWGFBGEBIMHQ-UHFFFAOYSA-N 2 2 327.266 2.989 20 10 EFCDLP Oc1ccc2ccccc2c1C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001279294069 1317228277 /nfs/dbraw/zinc/22/82/77/1317228277.db2.gz RJCDPEAKQYOAHR-UHFFFAOYSA-N 2 2 348.450 2.702 20 10 EFCDLP O=C(Nc1cccc2[nH+]ccn21)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001279969161 1317425956 /nfs/dbraw/zinc/42/59/56/1317425956.db2.gz VRQGYYAEDHIMOO-UHFFFAOYSA-N 2 2 348.406 2.691 20 10 EFCDLP C[C@H]1[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1(C)C ZINC001323324497 1329535085 /nfs/dbraw/zinc/53/50/85/1329535085.db2.gz WDUWJDLKEUFRLH-OAHLLOKOSA-N 2 2 335.467 2.577 20 10 EFCDLP C[C@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1(C)C ZINC001323324497 1329535088 /nfs/dbraw/zinc/53/50/88/1329535088.db2.gz WDUWJDLKEUFRLH-OAHLLOKOSA-N 2 2 335.467 2.577 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(F)(F)CC3)cc2F)CC1 ZINC001324985416 1329665741 /nfs/dbraw/zinc/66/57/41/1329665741.db2.gz RCTNXZGTXQFKNW-UHFFFAOYSA-N 2 2 327.394 2.809 20 10 EFCDLP Cc1cccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001326445798 1329757244 /nfs/dbraw/zinc/75/72/44/1329757244.db2.gz DZXNTXAVFGPOCF-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP Cc1cccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001326445798 1329757246 /nfs/dbraw/zinc/75/72/46/1329757246.db2.gz DZXNTXAVFGPOCF-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C2CC2)O1 ZINC001339602689 1331910410 /nfs/dbraw/zinc/91/04/10/1331910410.db2.gz AFLCCZRAUMEWHS-MGPUTAFESA-N 2 2 347.478 2.577 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C2CC2)O1 ZINC001339602689 1331910411 /nfs/dbraw/zinc/91/04/11/1331910411.db2.gz AFLCCZRAUMEWHS-MGPUTAFESA-N 2 2 347.478 2.577 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848552951 1334791388 /nfs/dbraw/zinc/79/13/88/1334791388.db2.gz GRABUTANGHNDJL-UWJYYQICSA-N 2 2 345.531 2.835 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000848575714 1334804121 /nfs/dbraw/zinc/80/41/21/1334804121.db2.gz VYORRYHEQAVDGT-LEWJYISDSA-N 3 2 342.531 2.545 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000848929131 1334993767 /nfs/dbraw/zinc/99/37/67/1334993767.db2.gz AXGRKEOHPODVQW-QGZVFWFLSA-N 2 2 335.467 2.578 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000848929131 1334993769 /nfs/dbraw/zinc/99/37/69/1334993769.db2.gz AXGRKEOHPODVQW-QGZVFWFLSA-N 2 2 335.467 2.578 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000237273763 723570593 /nfs/dbraw/zinc/57/05/93/723570593.db2.gz FTCQWIXJJKNEEO-YLJYHZDGSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000237274124 723570972 /nfs/dbraw/zinc/57/09/72/723570972.db2.gz ZHJBMUKSXGGLBV-MSOLQXFVSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H]3C)CC2)cc1 ZINC000237274063 723571033 /nfs/dbraw/zinc/57/10/33/723571033.db2.gz FTCQWIXJJKNEEO-XLIONFOSSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915229715 726907833 /nfs/dbraw/zinc/90/78/33/726907833.db2.gz NMYMJYSSWZCQHK-HNNXBMFYSA-N 2 2 343.431 2.960 20 10 EFCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027103 240019883 /nfs/dbraw/zinc/01/98/83/240019883.db2.gz JXQUCKPEHHRYIR-IBGZPJMESA-N 2 2 344.430 2.912 20 10 EFCDLP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027103 240019894 /nfs/dbraw/zinc/01/98/94/240019894.db2.gz JXQUCKPEHHRYIR-IBGZPJMESA-N 2 2 344.430 2.912 20 10 EFCDLP Oc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356971 240041425 /nfs/dbraw/zinc/04/14/25/240041425.db2.gz VSQAXNHEGAULST-IBGZPJMESA-N 2 2 326.440 2.773 20 10 EFCDLP Oc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356971 240041432 /nfs/dbraw/zinc/04/14/32/240041432.db2.gz VSQAXNHEGAULST-IBGZPJMESA-N 2 2 326.440 2.773 20 10 EFCDLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187691906 292350648 /nfs/dbraw/zinc/35/06/48/292350648.db2.gz IHVUGYDLQOOBDB-GFCCVEGCSA-N 2 2 328.403 2.822 20 10 EFCDLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1O ZINC000286017021 288035930 /nfs/dbraw/zinc/03/59/30/288035930.db2.gz IKVSKYKSPFFJED-RCCFBDPRSA-N 2 2 336.451 2.950 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017216 473238548 /nfs/dbraw/zinc/23/85/48/473238548.db2.gz HKDGIJYNKBDKLU-QWHCGFSZSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017216 473238553 /nfs/dbraw/zinc/23/85/53/473238553.db2.gz HKDGIJYNKBDKLU-QWHCGFSZSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017213 473238598 /nfs/dbraw/zinc/23/85/98/473238598.db2.gz HKDGIJYNKBDKLU-CHWSQXEVSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017213 473238603 /nfs/dbraw/zinc/23/86/03/473238603.db2.gz HKDGIJYNKBDKLU-CHWSQXEVSA-N 2 2 325.250 2.871 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnccn3)cc2F)CC1 ZINC000155282409 472526822 /nfs/dbraw/zinc/52/68/22/472526822.db2.gz KASAFHFMPONVEU-HNNXBMFYSA-N 2 2 343.450 2.608 20 10 EFCDLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000121086186 472795802 /nfs/dbraw/zinc/79/58/02/472795802.db2.gz ZAWVKZGHMGKYCV-QUCCMNQESA-N 2 2 340.467 2.852 20 10 EFCDLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000121086186 472795807 /nfs/dbraw/zinc/79/58/07/472795807.db2.gz ZAWVKZGHMGKYCV-QUCCMNQESA-N 2 2 340.467 2.852 20 10 EFCDLP Oc1ccc(Cl)c(F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000191228612 473512520 /nfs/dbraw/zinc/51/25/20/473512520.db2.gz KLULAGZMJZIARC-UHFFFAOYSA-N 2 2 342.842 2.729 20 10 EFCDLP CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182088839 474096963 /nfs/dbraw/zinc/09/69/63/474096963.db2.gz NNCAABLSMGELGM-OAHLLOKOSA-N 2 2 329.444 2.979 20 10 EFCDLP CCOc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182088839 474096970 /nfs/dbraw/zinc/09/69/70/474096970.db2.gz NNCAABLSMGELGM-OAHLLOKOSA-N 2 2 329.444 2.979 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1O ZINC000276992143 474576074 /nfs/dbraw/zinc/57/60/74/474576074.db2.gz XPBVQMOLQJFDAU-UVBJJODRSA-N 2 2 340.414 2.699 20 10 EFCDLP COc1c(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159835 474602084 /nfs/dbraw/zinc/60/20/84/474602084.db2.gz DMCYRZHKIKOYIQ-OAHLLOKOSA-N 2 2 349.431 2.759 20 10 EFCDLP COc1c(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159835 474602088 /nfs/dbraw/zinc/60/20/88/474602088.db2.gz DMCYRZHKIKOYIQ-OAHLLOKOSA-N 2 2 349.431 2.759 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000273422102 474890750 /nfs/dbraw/zinc/89/07/50/474890750.db2.gz SKSYBGFZGQDYAE-ZDUSSCGKSA-N 2 2 332.444 2.704 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608546 474987384 /nfs/dbraw/zinc/98/73/84/474987384.db2.gz UYUIYBOGKOPDAH-STQMWFEESA-N 2 2 331.416 2.671 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608542 474988291 /nfs/dbraw/zinc/98/82/91/474988291.db2.gz UYUIYBOGKOPDAH-OLZOCXBDSA-N 2 2 331.416 2.671 20 10 EFCDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816803 475043366 /nfs/dbraw/zinc/04/33/66/475043366.db2.gz MOYSJXYFUVOSQZ-LSDHHAIUSA-N 2 2 332.423 2.598 20 10 EFCDLP C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626841 476483787 /nfs/dbraw/zinc/48/37/87/476483787.db2.gz NBKVJFCRMXMMHB-INIZCTEOSA-N 2 2 337.895 2.646 20 10 EFCDLP C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626841 476483792 /nfs/dbraw/zinc/48/37/92/476483792.db2.gz NBKVJFCRMXMMHB-INIZCTEOSA-N 2 2 337.895 2.646 20 10 EFCDLP C[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110787 476670846 /nfs/dbraw/zinc/67/08/46/476670846.db2.gz JFLNXLYWBHNCHG-QGZVFWFLSA-N 2 2 337.895 2.694 20 10 EFCDLP C[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110787 476670849 /nfs/dbraw/zinc/67/08/49/476670849.db2.gz JFLNXLYWBHNCHG-QGZVFWFLSA-N 2 2 337.895 2.694 20 10 EFCDLP C[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110787 476670853 /nfs/dbraw/zinc/67/08/53/476670853.db2.gz JFLNXLYWBHNCHG-QGZVFWFLSA-N 2 2 337.895 2.694 20 10 EFCDLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000756366152 575723986 /nfs/dbraw/zinc/72/39/86/575723986.db2.gz FLNYKVINXXNPQU-JHJVBQTASA-N 2 2 328.403 2.820 20 10 EFCDLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000756366155 575724031 /nfs/dbraw/zinc/72/40/31/575724031.db2.gz FLNYKVINXXNPQU-UPJWGTAASA-N 2 2 328.403 2.820 20 10 EFCDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)c(F)cc1O ZINC000756374430 575725620 /nfs/dbraw/zinc/72/56/20/575725620.db2.gz ZQEVONGVXIYKIX-VIFPVBQESA-N 2 2 328.185 2.841 20 10 EFCDLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756530286 575755834 /nfs/dbraw/zinc/75/58/34/575755834.db2.gz WZDVOPBIZBQWHJ-GFCCVEGCSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1O ZINC000756562968 575762809 /nfs/dbraw/zinc/76/28/09/575762809.db2.gz KJQXMMHWFLLCRI-TZMCWYRMSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1O ZINC000756562968 575762810 /nfs/dbraw/zinc/76/28/10/575762810.db2.gz KJQXMMHWFLLCRI-TZMCWYRMSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1O ZINC000756764903 575785165 /nfs/dbraw/zinc/78/51/65/575785165.db2.gz LPVXDEVVJXZAKB-MZPVMMEZSA-N 2 2 340.414 2.699 20 10 EFCDLP COc1ccc(N2CC[NH+](CCNc3cc(C)cc[nH+]3)CC2)cc1 ZINC000759692500 575921968 /nfs/dbraw/zinc/92/19/68/575921968.db2.gz OFNRTEGNEFQAGY-UHFFFAOYSA-N 2 2 326.444 2.633 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000760898830 576086167 /nfs/dbraw/zinc/08/61/67/576086167.db2.gz STSSMXAFNKYLAP-CQSZACIVSA-N 2 2 334.460 2.951 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000760898828 576086223 /nfs/dbraw/zinc/08/62/23/576086223.db2.gz STSSMXAFNKYLAP-AWEZNQCLSA-N 2 2 334.460 2.951 20 10 EFCDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000762482811 576306989 /nfs/dbraw/zinc/30/69/89/576306989.db2.gz MLGDHFQOHYDUGL-LBPRGKRZSA-N 2 2 330.831 2.775 20 10 EFCDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000762482811 576306993 /nfs/dbraw/zinc/30/69/93/576306993.db2.gz MLGDHFQOHYDUGL-LBPRGKRZSA-N 2 2 330.831 2.775 20 10 EFCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789410 576331442 /nfs/dbraw/zinc/33/14/42/576331442.db2.gz UVGGYPFJCMFFMD-DNVCBOLYSA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789410 576331444 /nfs/dbraw/zinc/33/14/44/576331444.db2.gz UVGGYPFJCMFFMD-DNVCBOLYSA-N 2 2 335.467 2.533 20 10 EFCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904807 581503717 /nfs/dbraw/zinc/50/37/17/581503717.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904807 581503718 /nfs/dbraw/zinc/50/37/18/581503718.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904807 581503719 /nfs/dbraw/zinc/50/37/19/581503719.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904807 581503720 /nfs/dbraw/zinc/50/37/20/581503720.db2.gz XBQFSKBCQSQLIW-JSGCOSHPSA-N 2 2 337.420 2.614 20 10 EFCDLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(O)c(C(C)(C)C)c1 ZINC000850254777 1250381910 /nfs/dbraw/zinc/38/19/10/1250381910.db2.gz VKHQGKJWGDPTQB-AWEZNQCLSA-N 2 2 329.444 2.999 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702636172 1271564460 /nfs/dbraw/zinc/56/44/60/1271564460.db2.gz MAJLRFOXJLIXHO-IBGZPJMESA-N 2 2 346.858 2.772 20 10 EFCDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Br)c2O)C[C@@H]1C[NH3+] ZINC000817865970 1276351233 /nfs/dbraw/zinc/35/12/33/1276351233.db2.gz QFIFCUJNBDUJDO-WZRBSPASSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1C[NH3+] ZINC000817865970 1276351236 /nfs/dbraw/zinc/35/12/36/1276351236.db2.gz QFIFCUJNBDUJDO-WZRBSPASSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902162 1276366899 /nfs/dbraw/zinc/36/68/99/1276366899.db2.gz JPVQCPXGOIZVTL-HKUYNNGSSA-N 2 2 331.504 2.780 20 10 EFCDLP CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000817903940 1276368674 /nfs/dbraw/zinc/36/86/74/1276368674.db2.gz XKCGDVOJPAEJEW-MOPGFXCFSA-N 2 2 335.467 2.529 20 10 EFCDLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000817940325 1276385292 /nfs/dbraw/zinc/38/52/92/1276385292.db2.gz GBBQOKSYEXIJOD-CXAGYDPISA-N 2 2 329.444 2.817 20 10 EFCDLP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943268 1276389764 /nfs/dbraw/zinc/38/97/64/1276389764.db2.gz SZFIGBJEZXBQAR-MLGOLLRUSA-N 2 2 347.484 2.951 20 10 EFCDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(F)cc(F)c1O ZINC000817953109 1276397906 /nfs/dbraw/zinc/39/79/06/1276397906.db2.gz NEYFZCZUAVXHIO-LLVKDONJSA-N 2 2 334.370 2.648 20 10 EFCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000817976038 1276416733 /nfs/dbraw/zinc/41/67/33/1276416733.db2.gz DWMPIAWSIPBAHX-DLOVCJGASA-N 2 2 331.229 2.814 20 10 EFCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000817976039 1276416813 /nfs/dbraw/zinc/41/68/13/1276416813.db2.gz DWMPIAWSIPBAHX-USWWRNFRSA-N 2 2 331.229 2.814 20 10 EFCDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703145 1280432640 /nfs/dbraw/zinc/43/26/40/1280432640.db2.gz LSDQJPBHVHYRQI-GOEBONIOSA-N 2 2 332.448 2.897 20 10 EFCDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703145 1280432644 /nfs/dbraw/zinc/43/26/44/1280432644.db2.gz LSDQJPBHVHYRQI-GOEBONIOSA-N 2 2 332.448 2.897 20 10 EFCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)cc(OC)c1O ZINC000809750430 1282449178 /nfs/dbraw/zinc/44/91/78/1282449178.db2.gz VSPBWDVJXOTRIO-UHFFFAOYSA-N 2 2 345.281 2.937 20 10 EFCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)cc(OC)c1O ZINC000809750430 1282449180 /nfs/dbraw/zinc/44/91/80/1282449180.db2.gz VSPBWDVJXOTRIO-UHFFFAOYSA-N 2 2 345.281 2.937 20 10 EFCDLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1O ZINC000817275980 1288519965 /nfs/dbraw/zinc/51/99/65/1288519965.db2.gz PQQSKILYZBJZKO-UHFFFAOYSA-N 2 2 326.440 2.856 20 10 EFCDLP Cc1cc(Br)cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230253 1289664870 /nfs/dbraw/zinc/66/48/70/1289664870.db2.gz OEJWXSJGSYSJAL-HIFRSBDPSA-N 2 2 325.250 2.837 20 10 EFCDLP COc1cc(O)c(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC001233135044 1312863412 /nfs/dbraw/zinc/86/34/12/1312863412.db2.gz KHTIEKOYNGISSV-UHFFFAOYSA-N 2 2 331.254 2.547 20 10 EFCDLP COc1cc(O)c(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC001233135044 1312863416 /nfs/dbraw/zinc/86/34/16/1312863416.db2.gz KHTIEKOYNGISSV-UHFFFAOYSA-N 2 2 331.254 2.547 20 10 EFCDLP COCC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C1CC[NH+](C)CC1 ZINC001233454362 1312935013 /nfs/dbraw/zinc/93/50/13/1312935013.db2.gz RVOUXAMVNVUYOR-UHFFFAOYSA-N 2 2 346.393 2.954 20 10 EFCDLP COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C1CC[NH+](C)CC1 ZINC001233454362 1312935017 /nfs/dbraw/zinc/93/50/17/1312935017.db2.gz RVOUXAMVNVUYOR-UHFFFAOYSA-N 2 2 346.393 2.954 20 10 EFCDLP Oc1cc(O)c(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1O ZINC001233483561 1312939994 /nfs/dbraw/zinc/93/99/94/1312939994.db2.gz DPNMAMFPRFJPBK-UHFFFAOYSA-N 2 2 332.444 2.644 20 10 EFCDLP Oc1cc(O)c(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1O ZINC001233483561 1312939996 /nfs/dbraw/zinc/93/99/96/1312939996.db2.gz DPNMAMFPRFJPBK-UHFFFAOYSA-N 2 2 332.444 2.644 20 10 EFCDLP COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001203622200 1312973118 /nfs/dbraw/zinc/97/31/18/1312973118.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001203622200 1312973121 /nfs/dbraw/zinc/97/31/21/1312973121.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001203622200 1312973123 /nfs/dbraw/zinc/97/31/23/1312973123.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001203622200 1312973125 /nfs/dbraw/zinc/97/31/25/1312973125.db2.gz TXTATPOMGYEJHY-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1O ZINC001203877353 1313039476 /nfs/dbraw/zinc/03/94/76/1313039476.db2.gz DUVIRJIZKSNNHW-HUUCEWRRSA-N 2 2 330.453 2.723 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203930662 1313050243 /nfs/dbraw/zinc/05/02/43/1313050243.db2.gz CBCOZKWQVHVWGH-PMACEKPBSA-N 2 2 336.483 2.711 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]([NH3+])C2)c(O)c1 ZINC001204954671 1313214828 /nfs/dbraw/zinc/21/48/28/1313214828.db2.gz HUMBNLSZWOLNOI-PKOBYXMFSA-N 2 2 349.519 2.693 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]([NH3+])C2)c(O)c1 ZINC001204954671 1313214830 /nfs/dbraw/zinc/21/48/30/1313214830.db2.gz HUMBNLSZWOLNOI-PKOBYXMFSA-N 2 2 349.519 2.693 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c2ccccc21 ZINC001235114421 1313244554 /nfs/dbraw/zinc/24/45/54/1313244554.db2.gz LQTJCJWOXOPFSD-NRFANRHFSA-N 2 2 339.483 2.860 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c2ccccc21 ZINC001235114421 1313244558 /nfs/dbraw/zinc/24/45/58/1313244558.db2.gz LQTJCJWOXOPFSD-NRFANRHFSA-N 2 2 339.483 2.860 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001235167308 1313256466 /nfs/dbraw/zinc/25/64/66/1313256466.db2.gz HTBSZUBVSBNWEK-NRFANRHFSA-N 3 2 342.531 2.547 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235265652 1313278808 /nfs/dbraw/zinc/27/88/08/1313278808.db2.gz CWSRXYWJAOGYFK-RHSMWYFYSA-N 2 2 341.455 2.539 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235265652 1313278812 /nfs/dbraw/zinc/27/88/12/1313278812.db2.gz CWSRXYWJAOGYFK-RHSMWYFYSA-N 2 2 341.455 2.539 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235401449 1313312689 /nfs/dbraw/zinc/31/26/89/1313312689.db2.gz GQPWDPAYSFWQNH-DLBZAZTESA-N 2 2 325.859 2.930 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235401449 1313312693 /nfs/dbraw/zinc/31/26/93/1313312693.db2.gz GQPWDPAYSFWQNH-DLBZAZTESA-N 2 2 325.859 2.930 20 10 EFCDLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205796940 1313357812 /nfs/dbraw/zinc/35/78/12/1313357812.db2.gz VLJMMUDWIKGLQF-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205796940 1313357816 /nfs/dbraw/zinc/35/78/16/1313357816.db2.gz VLJMMUDWIKGLQF-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856512 1313366836 /nfs/dbraw/zinc/36/68/36/1313366836.db2.gz WERVANLGOFPINB-WCQYABFASA-N 2 2 332.366 2.893 20 10 EFCDLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856512 1313366839 /nfs/dbraw/zinc/36/68/39/1313366839.db2.gz WERVANLGOFPINB-WCQYABFASA-N 2 2 332.366 2.893 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304523 1313433163 /nfs/dbraw/zinc/43/31/63/1313433163.db2.gz MCMUGXSUCPGJIN-IBGZPJMESA-N 2 2 330.428 2.758 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304523 1313433166 /nfs/dbraw/zinc/43/31/66/1313433166.db2.gz MCMUGXSUCPGJIN-IBGZPJMESA-N 2 2 330.428 2.758 20 10 EFCDLP CCc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c(O)c1 ZINC001236789370 1313529581 /nfs/dbraw/zinc/52/95/81/1313529581.db2.gz VXZBSGPVOVYZRV-UHFFFAOYSA-N 2 2 327.428 2.680 20 10 EFCDLP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001236802122 1313532479 /nfs/dbraw/zinc/53/24/79/1313532479.db2.gz FRKYMNBYDPSNBJ-UHFFFAOYSA-N 2 2 333.819 2.771 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932101 1313556022 /nfs/dbraw/zinc/55/60/22/1313556022.db2.gz NSJDYSMVUWTNLX-QZTJIDSGSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932101 1313556025 /nfs/dbraw/zinc/55/60/25/1313556025.db2.gz NSJDYSMVUWTNLX-QZTJIDSGSA-N 2 2 341.421 2.850 20 10 EFCDLP C[N@H+](Cc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932504 1313556506 /nfs/dbraw/zinc/55/65/06/1313556506.db2.gz QASSDUCKTSSERS-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP C[N@@H+](Cc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932504 1313556509 /nfs/dbraw/zinc/55/65/09/1313556509.db2.gz QASSDUCKTSSERS-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP Oc1cccc(Br)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237394866 1313635908 /nfs/dbraw/zinc/63/59/08/1313635908.db2.gz WPKLPUMZYRUORA-SMDDNHRTSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237394866 1313635912 /nfs/dbraw/zinc/63/59/12/1313635912.db2.gz WPKLPUMZYRUORA-SMDDNHRTSA-N 2 2 325.250 2.729 20 10 EFCDLP COC(=O)c1c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237418129 1313641806 /nfs/dbraw/zinc/64/18/06/1313641806.db2.gz VXJLRTFBAWQORS-WMLDXEAASA-N 2 2 341.455 2.539 20 10 EFCDLP COC(=O)c1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237418129 1313641810 /nfs/dbraw/zinc/64/18/10/1313641810.db2.gz VXJLRTFBAWQORS-WMLDXEAASA-N 2 2 341.455 2.539 20 10 EFCDLP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001238060779 1313753323 /nfs/dbraw/zinc/75/33/23/1313753323.db2.gz JBOGYUUYBJTKNK-CALCHBBNSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001238060779 1313753326 /nfs/dbraw/zinc/75/33/26/1313753326.db2.gz JBOGYUUYBJTKNK-CALCHBBNSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001238060779 1313753328 /nfs/dbraw/zinc/75/33/28/1313753328.db2.gz JBOGYUUYBJTKNK-CALCHBBNSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001238060779 1313753330 /nfs/dbraw/zinc/75/33/30/1313753330.db2.gz JBOGYUUYBJTKNK-CALCHBBNSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1O ZINC001238060782 1313753704 /nfs/dbraw/zinc/75/37/04/1313753704.db2.gz JBOGYUUYBJTKNK-IAGOWNOFSA-N 2 2 341.430 2.799 20 10 EFCDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238065933 1313754567 /nfs/dbraw/zinc/75/45/67/1313754567.db2.gz CKIVOJJVAAUOBM-SFHVURJKSA-N 2 2 336.451 2.915 20 10 EFCDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238065933 1313754570 /nfs/dbraw/zinc/75/45/70/1313754570.db2.gz CKIVOJJVAAUOBM-SFHVURJKSA-N 2 2 336.451 2.915 20 10 EFCDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862250294 1302321068 /nfs/dbraw/zinc/32/10/68/1302321068.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862250294 1302321080 /nfs/dbraw/zinc/32/10/80/1302321080.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862250294 1302321092 /nfs/dbraw/zinc/32/10/92/1302321092.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862250294 1302321104 /nfs/dbraw/zinc/32/11/04/1302321104.db2.gz MOKYLZDGJHQZQB-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483505 1311784442 /nfs/dbraw/zinc/78/44/42/1311784442.db2.gz QXFVVGCLMCTVCG-WBVHZDCISA-N 2 2 335.467 2.845 20 10 EFCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231881224 1312579876 /nfs/dbraw/zinc/57/98/76/1312579876.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231881224 1312579880 /nfs/dbraw/zinc/57/98/80/1312579880.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231881224 1312579882 /nfs/dbraw/zinc/57/98/82/1312579882.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 2 2 326.440 2.698 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]2C1 ZINC001232201266 1312647729 /nfs/dbraw/zinc/64/77/29/1312647729.db2.gz ITTMLQKYLFQLOJ-IAGOWNOFSA-N 2 2 349.906 2.560 20 10 EFCDLP CCN(CC)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1F ZINC000827892207 1316030093 /nfs/dbraw/zinc/03/00/93/1316030093.db2.gz UFWAIVNFBKFFMR-UHFFFAOYSA-N 2 2 345.466 2.728 20 10 EFCDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)O1 ZINC001319704828 1328956354 /nfs/dbraw/zinc/95/63/54/1328956354.db2.gz DAGQERFHYUBJIM-DOTOQJQBSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)O1 ZINC001319704828 1328956359 /nfs/dbraw/zinc/95/63/59/1328956359.db2.gz DAGQERFHYUBJIM-DOTOQJQBSA-N 2 2 335.467 2.577 20 10 EFCDLP C[N@H+](Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319945900 1329041022 /nfs/dbraw/zinc/04/10/22/1329041022.db2.gz KYTIITWHPFPRNH-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP C[N@@H+](Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319945900 1329041027 /nfs/dbraw/zinc/04/10/27/1329041027.db2.gz KYTIITWHPFPRNH-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC001323888601 1329582892 /nfs/dbraw/zinc/58/28/92/1329582892.db2.gz BVLOSXSMNRYSAR-HNNXBMFYSA-N 2 2 329.444 2.979 20 10 EFCDLP CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC001323888601 1329582895 /nfs/dbraw/zinc/58/28/95/1329582895.db2.gz BVLOSXSMNRYSAR-HNNXBMFYSA-N 2 2 329.444 2.979 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CCC3)cc2F)CC1 ZINC001329514625 1330713989 /nfs/dbraw/zinc/71/39/89/1330713989.db2.gz YOPRIDRWYUWECG-HXUWFJFHSA-N 2 2 347.478 2.578 20 10 EFCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001331418866 1330835094 /nfs/dbraw/zinc/83/50/94/1330835094.db2.gz LLGKHTAYWSZCLF-OAQYLSRUSA-N 2 2 349.482 2.943 20 10 EFCDLP Fc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1N1CCOCC1 ZINC000848575656 1334803369 /nfs/dbraw/zinc/80/33/69/1334803369.db2.gz URHNGCNDMAYWOF-QUCCMNQESA-N 2 2 347.478 2.769 20 10 EFCDLP Fc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1N1CCOCC1 ZINC000848575656 1334803372 /nfs/dbraw/zinc/80/33/72/1334803372.db2.gz URHNGCNDMAYWOF-QUCCMNQESA-N 2 2 347.478 2.769 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000848575715 1334803700 /nfs/dbraw/zinc/80/37/00/1334803700.db2.gz VYORRYHEQAVDGT-NHCUHLMSSA-N 3 2 342.531 2.545 20 10 EFCDLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000849350293 1335596577 /nfs/dbraw/zinc/59/65/77/1335596577.db2.gz WXYPBONWJIMVJD-OALUTQOASA-N 2 2 326.415 2.996 20 10 EFCDLP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(O)c1OC ZINC000892870752 719250785 /nfs/dbraw/zinc/25/07/85/719250785.db2.gz IRICAKMZKBSVBN-UHFFFAOYSA-N 2 2 331.416 2.786 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cn(C)cn3)cc2F)CC1 ZINC000924994758 722040934 /nfs/dbraw/zinc/04/09/34/722040934.db2.gz AISZGFBYASEDQD-HNNXBMFYSA-N 2 2 345.466 2.552 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000237274041 723570990 /nfs/dbraw/zinc/57/09/90/723570990.db2.gz FTCQWIXJJKNEEO-PXNSSMCTSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)cc2F)C[C@@H](C)O1 ZINC000925480432 729189575 /nfs/dbraw/zinc/18/95/75/729189575.db2.gz MDILVPPXWFCRMG-HBUWYVDXSA-N 2 2 335.467 2.669 20 10 EFCDLP COC1CCN(c2ccc(C[NH2+][C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)cc2)CC1 ZINC001578941059 1090483909 /nfs/dbraw/zinc/48/39/09/1090483909.db2.gz NUVYOUFADVJCQQ-RZQQEMMASA-N 2 2 331.504 2.778 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000898034969 1106206397 /nfs/dbraw/zinc/20/63/97/1106206397.db2.gz DXJHFGVWAAHSRF-UHFFFAOYSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCC(C)(C)C3)CC2)cc1 ZINC000898034969 1106206401 /nfs/dbraw/zinc/20/64/01/1106206401.db2.gz DXJHFGVWAAHSRF-UHFFFAOYSA-N 2 2 331.504 2.986 20 10 EFCDLP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000904353989 1107838681 /nfs/dbraw/zinc/83/86/81/1107838681.db2.gz SWTGYMXPQLEGGJ-IBGZPJMESA-N 2 2 341.455 2.637 20 10 EFCDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000904461456 1107936335 /nfs/dbraw/zinc/93/63/35/1107936335.db2.gz JVXLROLJVBFCSA-GDBMZVCRSA-N 2 2 333.229 2.869 20 10 EFCDLP CN(C)c1ccc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000898449332 1108942698 /nfs/dbraw/zinc/94/26/98/1108942698.db2.gz BPZDEFPOUOKITK-FQEVSTJZSA-N 2 2 330.520 2.572 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322787 239124109 /nfs/dbraw/zinc/12/41/09/239124109.db2.gz GSEDHSWSLQVDNA-HLLBOEOZSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322787 239124114 /nfs/dbraw/zinc/12/41/14/239124114.db2.gz GSEDHSWSLQVDNA-HLLBOEOZSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322675 239124825 /nfs/dbraw/zinc/12/48/25/239124825.db2.gz GSEDHSWSLQVDNA-ZOBUZTSGSA-N 2 2 347.478 2.938 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000166322675 239124830 /nfs/dbraw/zinc/12/48/30/239124830.db2.gz GSEDHSWSLQVDNA-ZOBUZTSGSA-N 2 2 347.478 2.938 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715359 242307201 /nfs/dbraw/zinc/30/72/01/242307201.db2.gz DFABYKLSQIJDIK-XFJVYGCCSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715359 242307208 /nfs/dbraw/zinc/30/72/08/242307208.db2.gz DFABYKLSQIJDIK-XFJVYGCCSA-N 2 2 342.842 2.868 20 10 EFCDLP CN1CC[NH+](CC2CC[NH+](Cc3cccc(Cl)c3O)CC2)CC1 ZINC000367690941 242388022 /nfs/dbraw/zinc/38/80/22/242388022.db2.gz VJUZUVWLTPYELX-UHFFFAOYSA-N 2 2 337.895 2.505 20 10 EFCDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1O ZINC000187714080 296121995 /nfs/dbraw/zinc/12/19/95/296121995.db2.gz LZJWTYQLWYDPSP-CHWSQXEVSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1O ZINC000187714080 296121996 /nfs/dbraw/zinc/12/19/96/296121996.db2.gz LZJWTYQLWYDPSP-CHWSQXEVSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000185365962 296131298 /nfs/dbraw/zinc/13/12/98/296131298.db2.gz GTWDTKVGDYTZFI-NWDGAFQWSA-N 2 2 346.302 2.986 20 10 EFCDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192842755 287048660 /nfs/dbraw/zinc/04/86/60/287048660.db2.gz NMTLXAGDTDNWKK-NWDGAFQWSA-N 2 2 346.302 2.986 20 10 EFCDLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000184900287 289954540 /nfs/dbraw/zinc/95/45/40/289954540.db2.gz NXDYIWKMYPOWDC-LBPRGKRZSA-N 2 2 346.302 2.987 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839343 473319144 /nfs/dbraw/zinc/31/91/44/473319144.db2.gz BTSQCNXGPWCNHY-OLZOCXBDSA-N 2 2 331.243 2.652 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839343 473319148 /nfs/dbraw/zinc/31/91/48/473319148.db2.gz BTSQCNXGPWCNHY-OLZOCXBDSA-N 2 2 331.243 2.652 20 10 EFCDLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185165797 473349464 /nfs/dbraw/zinc/34/94/64/473349464.db2.gz WIRZVELEXRRZPV-AWEZNQCLSA-N 2 2 344.434 2.529 20 10 EFCDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000121086332 472794938 /nfs/dbraw/zinc/79/49/38/472794938.db2.gz ZAWVKZGHMGKYCV-UYAOXDASSA-N 2 2 340.467 2.852 20 10 EFCDLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000121086332 472794942 /nfs/dbraw/zinc/79/49/42/472794942.db2.gz ZAWVKZGHMGKYCV-UYAOXDASSA-N 2 2 340.467 2.852 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000123154957 473104369 /nfs/dbraw/zinc/10/43/69/473104369.db2.gz NTMDEVQECPYJCV-NVXWUHKLSA-N 2 2 329.488 2.879 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC000123154957 473104373 /nfs/dbraw/zinc/10/43/73/473104373.db2.gz NTMDEVQECPYJCV-NVXWUHKLSA-N 2 2 329.488 2.879 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000180230004 473833702 /nfs/dbraw/zinc/83/37/02/473833702.db2.gz GGCKISAZPWNTSE-GFCCVEGCSA-N 2 2 327.266 2.847 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000180230004 473833709 /nfs/dbraw/zinc/83/37/09/473833709.db2.gz GGCKISAZPWNTSE-GFCCVEGCSA-N 2 2 327.266 2.847 20 10 EFCDLP COc1c(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159831 474602571 /nfs/dbraw/zinc/60/25/71/474602571.db2.gz DMCYRZHKIKOYIQ-HNNXBMFYSA-N 2 2 349.431 2.759 20 10 EFCDLP COc1c(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278159831 474602577 /nfs/dbraw/zinc/60/25/77/474602577.db2.gz DMCYRZHKIKOYIQ-HNNXBMFYSA-N 2 2 349.431 2.759 20 10 EFCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000278244753 474603839 /nfs/dbraw/zinc/60/38/39/474603839.db2.gz LUNIBVPHMIQTDJ-QWRGUYRKSA-N 2 2 333.259 2.806 20 10 EFCDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551519 474616476 /nfs/dbraw/zinc/61/64/76/474616476.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 2 2 325.250 2.681 20 10 EFCDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551519 474616479 /nfs/dbraw/zinc/61/64/79/474616479.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551519 474616482 /nfs/dbraw/zinc/61/64/82/474616482.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551519 474616485 /nfs/dbraw/zinc/61/64/85/474616485.db2.gz DAAGQNIRDMXMCT-FZMZJTMJSA-N 2 2 325.250 2.681 20 10 EFCDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1O ZINC000272819726 474626276 /nfs/dbraw/zinc/62/62/76/474626276.db2.gz FMBRSHZOKMFQPX-QRFRQXIXSA-N 2 2 340.467 2.926 20 10 EFCDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1O ZINC000272819726 474626281 /nfs/dbraw/zinc/62/62/81/474626281.db2.gz FMBRSHZOKMFQPX-QRFRQXIXSA-N 2 2 340.467 2.926 20 10 EFCDLP COc1c(O)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278441625 474645140 /nfs/dbraw/zinc/64/51/40/474645140.db2.gz WEJMMEGYWXLZDC-UHFFFAOYSA-N 2 2 337.420 2.521 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666760 474705326 /nfs/dbraw/zinc/70/53/26/474705326.db2.gz BTSQCNXGPWCNHY-STQMWFEESA-N 2 2 331.243 2.652 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666760 474705339 /nfs/dbraw/zinc/70/53/39/474705339.db2.gz BTSQCNXGPWCNHY-STQMWFEESA-N 2 2 331.243 2.652 20 10 EFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648913 474754943 /nfs/dbraw/zinc/75/49/43/474754943.db2.gz SPMNZZIDMDHAQZ-OLZOCXBDSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648913 474754949 /nfs/dbraw/zinc/75/49/49/474754949.db2.gz SPMNZZIDMDHAQZ-OLZOCXBDSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816800 475043008 /nfs/dbraw/zinc/04/30/08/475043008.db2.gz MOYSJXYFUVOSQZ-CABCVRRESA-N 2 2 332.423 2.598 20 10 EFCDLP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cc1O ZINC000285850883 475044666 /nfs/dbraw/zinc/04/46/66/475044666.db2.gz XWLDYNYQQXYWCU-GOSISDBHSA-N 2 2 337.483 2.990 20 10 EFCDLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000285850883 475044676 /nfs/dbraw/zinc/04/46/76/475044676.db2.gz XWLDYNYQQXYWCU-GOSISDBHSA-N 2 2 337.483 2.990 20 10 EFCDLP CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000756399520 575731128 /nfs/dbraw/zinc/73/11/28/575731128.db2.gz QLMSGUXUPJCGSC-DYVFJYSZSA-N 2 2 341.446 2.593 20 10 EFCDLP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000756399517 575731179 /nfs/dbraw/zinc/73/11/79/575731179.db2.gz QLMSGUXUPJCGSC-CXAGYDPISA-N 2 2 341.446 2.593 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(F)c1O ZINC000756572613 575764451 /nfs/dbraw/zinc/76/44/51/575764451.db2.gz HBQMCAKXOWSHRI-IUODEOHRSA-N 2 2 340.414 2.964 20 10 EFCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789411 576331391 /nfs/dbraw/zinc/33/13/91/576331391.db2.gz UVGGYPFJCMFFMD-HNAYVOBHSA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789411 576331392 /nfs/dbraw/zinc/33/13/92/576331392.db2.gz UVGGYPFJCMFFMD-HNAYVOBHSA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765261788 577024523 /nfs/dbraw/zinc/02/45/23/577024523.db2.gz VMDNXLRIYDKDCZ-INIZCTEOSA-N 2 2 346.450 2.990 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587468 577169362 /nfs/dbraw/zinc/16/93/62/577169362.db2.gz ZOVLJKSRZXNWIU-VCBZYWHSSA-N 2 2 347.478 2.796 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587468 577169363 /nfs/dbraw/zinc/16/93/63/577169363.db2.gz ZOVLJKSRZXNWIU-VCBZYWHSSA-N 2 2 347.478 2.796 20 10 EFCDLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(O)c(C(C)(C)C)c1 ZINC000850254778 1250381741 /nfs/dbraw/zinc/38/17/41/1250381741.db2.gz VKHQGKJWGDPTQB-CQSZACIVSA-N 2 2 329.444 2.999 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888165 1276347225 /nfs/dbraw/zinc/34/72/25/1276347225.db2.gz JDYCIMBZOOKJDQ-FSZRXZPDSA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000817889310 1276347519 /nfs/dbraw/zinc/34/75/19/1276347519.db2.gz SJNGFCJXXGKCRD-LUXYFRNMSA-N 2 2 335.467 2.527 20 10 EFCDLP CC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817902797 1276366962 /nfs/dbraw/zinc/36/69/62/1276366962.db2.gz YGGCKHFSJIXVML-NHCUHLMSSA-N 2 2 343.515 2.780 20 10 EFCDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901568 1276366985 /nfs/dbraw/zinc/36/69/85/1276366985.db2.gz WZSUNNCWLCZOOK-KEYYUXOJSA-N 2 2 339.430 2.844 20 10 EFCDLP CC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817902799 1276366995 /nfs/dbraw/zinc/36/69/95/1276366995.db2.gz YGGCKHFSJIXVML-SFTDATJTSA-N 2 2 343.515 2.780 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939141 1276386398 /nfs/dbraw/zinc/38/63/98/1276386398.db2.gz ZNJDKUFQNFOZCL-DYVFJYSZSA-N 2 2 327.428 2.832 20 10 EFCDLP Cc1noc(C2CCC([NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)CC2)n1 ZINC000817944334 1276389419 /nfs/dbraw/zinc/38/94/19/1276389419.db2.gz ZHUWGDWPQIZWLV-LEOMRAHMSA-N 2 2 343.475 2.760 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817945994 1276390845 /nfs/dbraw/zinc/39/08/45/1276390845.db2.gz PMUHYXYVBJGXMC-UWVGGRQHSA-N 2 2 331.229 2.944 20 10 EFCDLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958986 1276399594 /nfs/dbraw/zinc/39/95/94/1276399594.db2.gz NZZRJMAPAVWRAS-GUYCJALGSA-N 2 2 325.884 2.811 20 10 EFCDLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958983 1276399727 /nfs/dbraw/zinc/39/97/27/1276399727.db2.gz NZZRJMAPAVWRAS-CXAGYDPISA-N 2 2 325.884 2.811 20 10 EFCDLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901891 1279325011 /nfs/dbraw/zinc/32/50/11/1279325011.db2.gz IELBGFCHKBORAF-XFJVYGCCSA-N 2 2 342.842 2.903 20 10 EFCDLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901891 1279325018 /nfs/dbraw/zinc/32/50/18/1279325018.db2.gz IELBGFCHKBORAF-XFJVYGCCSA-N 2 2 342.842 2.903 20 10 EFCDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703147 1280433011 /nfs/dbraw/zinc/43/30/11/1280433011.db2.gz LSDQJPBHVHYRQI-HOCLYGCPSA-N 2 2 332.448 2.897 20 10 EFCDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703147 1280433016 /nfs/dbraw/zinc/43/30/16/1280433016.db2.gz LSDQJPBHVHYRQI-HOCLYGCPSA-N 2 2 332.448 2.897 20 10 EFCDLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815577442 1287608428 /nfs/dbraw/zinc/60/84/28/1287608428.db2.gz QCSYGUDBPWTWCI-QWHCGFSZSA-N 2 2 345.409 2.698 20 10 EFCDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815577443 1287609005 /nfs/dbraw/zinc/60/90/05/1287609005.db2.gz QCSYGUDBPWTWCI-STQMWFEESA-N 2 2 345.409 2.698 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000715793458 1284332041 /nfs/dbraw/zinc/33/20/41/1284332041.db2.gz VVCXXJZHWYWDSL-UHFFFAOYSA-N 2 2 331.229 2.869 20 10 EFCDLP CCOCC[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172408151 1286125970 /nfs/dbraw/zinc/12/59/70/1286125970.db2.gz FSKCFXUKNVZDEO-SFHVURJKSA-N 2 2 349.519 2.612 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1Cl ZINC000824529970 1289683690 /nfs/dbraw/zinc/68/36/90/1289683690.db2.gz RQRUBYUTDVOZMG-UHFFFAOYSA-N 2 2 337.895 2.567 20 10 EFCDLP C[N@@H+](Cc1cc(O)c(O)c(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233017581 1312833405 /nfs/dbraw/zinc/83/34/05/1312833405.db2.gz XQELMMMDKNMUPQ-MRXNPFEDSA-N 2 2 342.439 2.757 20 10 EFCDLP C[N@H+](Cc1cc(O)c(O)c(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233017581 1312833409 /nfs/dbraw/zinc/83/34/09/1312833409.db2.gz XQELMMMDKNMUPQ-MRXNPFEDSA-N 2 2 342.439 2.757 20 10 EFCDLP C[NH+](Cc1cc(O)c(O)c(O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233017581 1312833413 /nfs/dbraw/zinc/83/34/13/1312833413.db2.gz XQELMMMDKNMUPQ-MRXNPFEDSA-N 2 2 342.439 2.757 20 10 EFCDLP C[NH+](Cc1cc(O)c(O)c(O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233017581 1312833416 /nfs/dbraw/zinc/83/34/16/1312833416.db2.gz XQELMMMDKNMUPQ-MRXNPFEDSA-N 2 2 342.439 2.757 20 10 EFCDLP C[NH+]1CC2(C1)CC[NH+](Cc1c(O)cc(Br)cc1F)CC2 ZINC001233029597 1312835696 /nfs/dbraw/zinc/83/56/96/1312835696.db2.gz FOCRHFZMDLASQU-UHFFFAOYSA-N 2 2 343.240 2.821 20 10 EFCDLP Fc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC000093597561 1291178256 /nfs/dbraw/zinc/17/82/56/1291178256.db2.gz OIXZMSHLLPQQHK-SFHVURJKSA-N 2 2 347.478 2.580 20 10 EFCDLP Fc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC000093597561 1291178260 /nfs/dbraw/zinc/17/82/60/1291178260.db2.gz OIXZMSHLLPQQHK-SFHVURJKSA-N 2 2 347.478 2.580 20 10 EFCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(OC)cc1O ZINC001233141552 1312865340 /nfs/dbraw/zinc/86/53/40/1312865340.db2.gz LWRIPZZJPABXRJ-UHFFFAOYSA-N 2 2 345.281 2.937 20 10 EFCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(OC)cc1O ZINC001233141552 1312865342 /nfs/dbraw/zinc/86/53/42/1312865342.db2.gz LWRIPZZJPABXRJ-UHFFFAOYSA-N 2 2 345.281 2.937 20 10 EFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203671140 1312986098 /nfs/dbraw/zinc/98/60/98/1312986098.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203671140 1312986102 /nfs/dbraw/zinc/98/61/02/1312986102.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(O)c(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203671140 1312986105 /nfs/dbraw/zinc/98/61/05/1312986105.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(O)c(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203671140 1312986107 /nfs/dbraw/zinc/98/61/07/1312986107.db2.gz KMZWYXTWMWKMQK-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP Oc1c(C[NH+]2CCC([NH+]3CCC3)CC2)cccc1OC(F)(F)F ZINC001233775848 1312989933 /nfs/dbraw/zinc/98/99/33/1312989933.db2.gz FAQXNIGBUPPHOV-UHFFFAOYSA-N 2 2 330.350 2.961 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)COC(C)C)CC2)cc1 ZINC000800218357 1293961757 /nfs/dbraw/zinc/96/17/57/1293961757.db2.gz QDYAPLQAPUVLDO-GOSISDBHSA-N 2 2 349.519 2.610 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203930660 1313050032 /nfs/dbraw/zinc/05/00/32/1313050032.db2.gz CBCOZKWQVHVWGH-BGYRXZFFSA-N 2 2 336.483 2.711 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203930660 1313050035 /nfs/dbraw/zinc/05/00/35/1313050035.db2.gz CBCOZKWQVHVWGH-BGYRXZFFSA-N 2 2 336.483 2.711 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203930660 1313050038 /nfs/dbraw/zinc/05/00/38/1313050038.db2.gz CBCOZKWQVHVWGH-BGYRXZFFSA-N 2 2 336.483 2.711 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203930660 1313050041 /nfs/dbraw/zinc/05/00/41/1313050041.db2.gz CBCOZKWQVHVWGH-BGYRXZFFSA-N 2 2 336.483 2.711 20 10 EFCDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000775726694 1294295159 /nfs/dbraw/zinc/29/51/59/1294295159.db2.gz WUDQAYAGPSGFTJ-HNNXBMFYSA-N 2 2 326.868 2.978 20 10 EFCDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000775726694 1294295163 /nfs/dbraw/zinc/29/51/63/1294295163.db2.gz WUDQAYAGPSGFTJ-HNNXBMFYSA-N 2 2 326.868 2.978 20 10 EFCDLP COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1O ZINC001204346434 1313127226 /nfs/dbraw/zinc/12/72/26/1313127226.db2.gz PKVJUYLVOQFBKC-JKSUJKDBSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1O ZINC001204346434 1313127227 /nfs/dbraw/zinc/12/72/27/1313127227.db2.gz PKVJUYLVOQFBKC-JKSUJKDBSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(O)c1O ZINC001204346434 1313127228 /nfs/dbraw/zinc/12/72/28/1313127228.db2.gz PKVJUYLVOQFBKC-JKSUJKDBSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(O)c1O ZINC001204346434 1313127229 /nfs/dbraw/zinc/12/72/29/1313127229.db2.gz PKVJUYLVOQFBKC-JKSUJKDBSA-N 2 2 334.460 2.945 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235117339 1313245263 /nfs/dbraw/zinc/24/52/63/1313245263.db2.gz AGVGMQIWEHLCTG-OAQYLSRUSA-N 3 2 342.531 2.547 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235117339 1313245266 /nfs/dbraw/zinc/24/52/66/1313245266.db2.gz AGVGMQIWEHLCTG-OAQYLSRUSA-N 3 2 342.531 2.547 20 10 EFCDLP C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(Br)c3O)C2)CC1 ZINC001235306912 1313286938 /nfs/dbraw/zinc/28/69/38/1313286938.db2.gz YUYDMIHVQNBWRK-UHFFFAOYSA-N 2 2 343.240 2.821 20 10 EFCDLP Cc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1Br ZINC001205797076 1313357739 /nfs/dbraw/zinc/35/77/39/1313357739.db2.gz YQZYZISWWFSSPB-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(O)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1Br ZINC001205797076 1313357742 /nfs/dbraw/zinc/35/77/42/1313357742.db2.gz YQZYZISWWFSSPB-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235808297 1313402271 /nfs/dbraw/zinc/40/22/71/1313402271.db2.gz ZWFJNCGNOXOUBJ-HNNXBMFYSA-N 2 2 326.868 2.945 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235808297 1313402274 /nfs/dbraw/zinc/40/22/74/1313402274.db2.gz ZWFJNCGNOXOUBJ-HNNXBMFYSA-N 2 2 326.868 2.945 20 10 EFCDLP Oc1c(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc2c3c1CCCN3CCC2 ZINC001236216077 1313456956 /nfs/dbraw/zinc/45/69/56/1313456956.db2.gz IKLMSBFKPCCRQJ-SFHVURJKSA-N 2 2 341.499 2.807 20 10 EFCDLP Oc1c(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc2c3c1CCCN3CCC2 ZINC001236216077 1313456958 /nfs/dbraw/zinc/45/69/58/1313456958.db2.gz IKLMSBFKPCCRQJ-SFHVURJKSA-N 2 2 341.499 2.807 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2CO)c(O)c1 ZINC001236424907 1313478964 /nfs/dbraw/zinc/47/89/64/1313478964.db2.gz ZFCSXYNCJCMWMN-PKOBYXMFSA-N 2 2 349.519 2.693 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2CO)c(O)c1 ZINC001236424907 1313478965 /nfs/dbraw/zinc/47/89/65/1313478965.db2.gz ZFCSXYNCJCMWMN-PKOBYXMFSA-N 2 2 349.519 2.693 20 10 EFCDLP CCOCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001236462728 1313483619 /nfs/dbraw/zinc/48/36/19/1313483619.db2.gz VQRPTXZVBYYAIA-UHFFFAOYSA-N 2 2 339.911 2.997 20 10 EFCDLP CCOCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001236462728 1313483621 /nfs/dbraw/zinc/48/36/21/1313483621.db2.gz VQRPTXZVBYYAIA-UHFFFAOYSA-N 2 2 339.911 2.997 20 10 EFCDLP COc1cc(O)c(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1OC ZINC001236749796 1313521866 /nfs/dbraw/zinc/52/18/66/1313521866.db2.gz MMRGEJZESCYEHJ-UHFFFAOYSA-N 2 2 344.411 2.848 20 10 EFCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(O)c(Br)cc1O ZINC001236761260 1313524027 /nfs/dbraw/zinc/52/40/27/1313524027.db2.gz DHPMDAIMEHSKDR-UHFFFAOYSA-N 2 2 340.221 2.579 20 10 EFCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(O)c(Br)cc1O ZINC001236761260 1313524029 /nfs/dbraw/zinc/52/40/29/1313524029.db2.gz DHPMDAIMEHSKDR-UHFFFAOYSA-N 2 2 340.221 2.579 20 10 EFCDLP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c1 ZINC001236786221 1313528265 /nfs/dbraw/zinc/52/82/65/1313528265.db2.gz DODHOQAOZUXWHH-UHFFFAOYSA-N 2 2 326.444 2.684 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236786462 1313528422 /nfs/dbraw/zinc/52/84/22/1313528422.db2.gz DPHWRAAXBVLHGY-OALUTQOASA-N 2 2 337.467 2.913 20 10 EFCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920351 1313553576 /nfs/dbraw/zinc/55/35/76/1313553576.db2.gz UHDYGKRUQRSEPM-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920351 1313553578 /nfs/dbraw/zinc/55/35/78/1313553578.db2.gz UHDYGKRUQRSEPM-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920351 1313553582 /nfs/dbraw/zinc/55/35/82/1313553582.db2.gz UHDYGKRUQRSEPM-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920351 1313553584 /nfs/dbraw/zinc/55/35/84/1313553584.db2.gz UHDYGKRUQRSEPM-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932097 1313555973 /nfs/dbraw/zinc/55/59/73/1313555973.db2.gz NSJDYSMVUWTNLX-MSOLQXFVSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932097 1313555978 /nfs/dbraw/zinc/55/59/78/1313555978.db2.gz NSJDYSMVUWTNLX-MSOLQXFVSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ccncc4C3)c(F)c2)CC1 ZINC001236934014 1313556680 /nfs/dbraw/zinc/55/66/80/1313556680.db2.gz BRELOORLMDYFPT-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccncc4C3)c(F)c2)CC1 ZINC001236934014 1313556684 /nfs/dbraw/zinc/55/66/84/1313556684.db2.gz BRELOORLMDYFPT-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(F)cc1O ZINC000796746305 1300558718 /nfs/dbraw/zinc/55/87/18/1300558718.db2.gz RAKNCRDZIVUOEF-GOSISDBHSA-N 2 2 337.483 2.846 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222360743 1311118895 /nfs/dbraw/zinc/11/88/95/1311118895.db2.gz UCOOYDIQPOKANJ-NRFANRHFSA-N 2 2 339.483 2.860 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222360743 1311118896 /nfs/dbraw/zinc/11/88/96/1311118896.db2.gz UCOOYDIQPOKANJ-NRFANRHFSA-N 2 2 339.483 2.860 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2)CC1 ZINC001222391163 1311123479 /nfs/dbraw/zinc/12/34/79/1311123479.db2.gz YVWVKJWIIOROMZ-NRFANRHFSA-N 3 2 342.531 2.547 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2)CC1 ZINC001222391163 1311123482 /nfs/dbraw/zinc/12/34/82/1311123482.db2.gz YVWVKJWIIOROMZ-NRFANRHFSA-N 3 2 342.531 2.547 20 10 EFCDLP Oc1ccc(F)c(F)c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609270 1311160247 /nfs/dbraw/zinc/16/02/47/1311160247.db2.gz MKJABOINBADPBV-OAHLLOKOSA-N 2 2 330.378 2.859 20 10 EFCDLP Oc1ccc(F)c(F)c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609270 1311160248 /nfs/dbraw/zinc/16/02/48/1311160248.db2.gz MKJABOINBADPBV-OAHLLOKOSA-N 2 2 330.378 2.859 20 10 EFCDLP Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609264 1311160343 /nfs/dbraw/zinc/16/03/43/1311160343.db2.gz MKJABOINBADPBV-HNNXBMFYSA-N 2 2 330.378 2.859 20 10 EFCDLP Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609264 1311160346 /nfs/dbraw/zinc/16/03/46/1311160346.db2.gz MKJABOINBADPBV-HNNXBMFYSA-N 2 2 330.378 2.859 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232201269 1312647965 /nfs/dbraw/zinc/64/79/65/1312647965.db2.gz ITTMLQKYLFQLOJ-IRXDYDNUSA-N 2 2 349.906 2.560 20 10 EFCDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232266569 1312662177 /nfs/dbraw/zinc/66/21/77/1312662177.db2.gz WQTVAVVNXLEYKE-UHFFFAOYSA-N 2 2 333.819 2.777 20 10 EFCDLP Oc1ccc2ccccc2c1C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279294591 1317227983 /nfs/dbraw/zinc/22/79/83/1317227983.db2.gz WBUBDUFKXXRMPO-UHFFFAOYSA-N 2 2 348.450 2.560 20 10 EFCDLP Oc1c(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)ccc2ccccc21 ZINC001279437083 1317263154 /nfs/dbraw/zinc/26/31/54/1317263154.db2.gz HAWJDZLGQFSOBH-UHFFFAOYSA-N 2 2 348.450 2.560 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ncc[nH]3)cc2F)CC1 ZINC000286323589 713019830 /nfs/dbraw/zinc/01/98/30/713019830.db2.gz XRUYFBSDSLFVDP-CQSZACIVSA-N 2 2 331.439 2.542 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CC3CC3)CC2)cc1 ZINC000162824168 716785599 /nfs/dbraw/zinc/78/55/99/716785599.db2.gz WUXWQCSSTVLOIK-KRWDZBQOSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915229716 726907799 /nfs/dbraw/zinc/90/77/99/726907799.db2.gz NMYMJYSSWZCQHK-OAHLLOKOSA-N 2 2 343.431 2.960 20 10 EFCDLP C[C@H]1Cc2cc(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861174 1089492217 /nfs/dbraw/zinc/49/22/17/1089492217.db2.gz BUSSBAQNZISFDO-LIRRHRJNSA-N 2 2 325.456 2.866 20 10 EFCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580888508 1091035269 /nfs/dbraw/zinc/03/52/69/1091035269.db2.gz NKKHVFFDRZIIEC-SOABOVLPSA-N 2 2 349.906 2.883 20 10 EFCDLP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580888508 1091035275 /nfs/dbraw/zinc/03/52/75/1091035275.db2.gz NKKHVFFDRZIIEC-SOABOVLPSA-N 2 2 349.906 2.883 20 10 EFCDLP COc1c[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001167431087 1101612875 /nfs/dbraw/zinc/61/28/75/1101612875.db2.gz GLINIAWGZFPTIC-UHFFFAOYSA-N 2 2 326.444 2.763 20 10 EFCDLP COc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168370685 1104463676 /nfs/dbraw/zinc/46/36/76/1104463676.db2.gz DYTWNFWJHBTINH-UHFFFAOYSA-N 2 2 329.488 2.692 20 10 EFCDLP CN(C)c1ccc([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000898450877 1108943975 /nfs/dbraw/zinc/94/39/75/1108943975.db2.gz UQAUKWILNDYIMK-OAQYLSRUSA-N 2 2 344.547 2.819 20 10 EFCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192842771 240067313 /nfs/dbraw/zinc/06/73/13/240067313.db2.gz NMTLXAGDTDNWKK-VXGBXAGGSA-N 2 2 346.302 2.986 20 10 EFCDLP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]c(C)n3)cc2F)CC1 ZINC000301200764 241185566 /nfs/dbraw/zinc/18/55/66/241185566.db2.gz QBRYVFUMBRULBO-UHFFFAOYSA-N 2 2 343.450 2.987 20 10 EFCDLP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000192832417 298778819 /nfs/dbraw/zinc/77/88/19/298778819.db2.gz GSBKAHDGTPWICJ-NEPJUHHUSA-N 2 2 346.302 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCSCC3)CC2)cc1 ZINC000006651329 471557194 /nfs/dbraw/zinc/55/71/94/471557194.db2.gz OCBRKDRLKFWCQN-UHFFFAOYSA-N 2 2 349.544 2.693 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnccn3)cc2F)CC1 ZINC000155282500 472529243 /nfs/dbraw/zinc/52/92/43/472529243.db2.gz KASAFHFMPONVEU-OAHLLOKOSA-N 2 2 343.450 2.608 20 10 EFCDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559702 472724007 /nfs/dbraw/zinc/72/40/07/472724007.db2.gz GPVFUDSWQMZUIR-DOTOQJQBSA-N 2 2 335.467 2.797 20 10 EFCDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559702 472724013 /nfs/dbraw/zinc/72/40/13/472724013.db2.gz GPVFUDSWQMZUIR-DOTOQJQBSA-N 2 2 335.467 2.797 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000123154762 473104185 /nfs/dbraw/zinc/10/41/85/473104185.db2.gz NTMDEVQECPYJCV-RDJZCZTQSA-N 2 2 329.488 2.879 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC000123154762 473104188 /nfs/dbraw/zinc/10/41/88/473104188.db2.gz NTMDEVQECPYJCV-RDJZCZTQSA-N 2 2 329.488 2.879 20 10 EFCDLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289517216 474304362 /nfs/dbraw/zinc/30/43/62/474304362.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 2 2 339.436 2.863 20 10 EFCDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289517216 474304371 /nfs/dbraw/zinc/30/43/71/474304371.db2.gz VDEVZWSCOPZIQD-UHFFFAOYSA-N 2 2 339.436 2.863 20 10 EFCDLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000290071572 474547304 /nfs/dbraw/zinc/54/73/04/474547304.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 2 2 331.504 2.564 20 10 EFCDLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000290071572 474547307 /nfs/dbraw/zinc/54/73/07/474547307.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 2 2 331.504 2.564 20 10 EFCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290071572 474547313 /nfs/dbraw/zinc/54/73/13/474547313.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 2 2 331.504 2.564 20 10 EFCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290071572 474547317 /nfs/dbraw/zinc/54/73/17/474547317.db2.gz UFVUBOMKTKPPNK-FQEVSTJZSA-N 2 2 331.504 2.564 20 10 EFCDLP C[N@H+](Cc1cc(F)ccc1O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321945 474579315 /nfs/dbraw/zinc/57/93/15/474579315.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 2 2 344.430 2.600 20 10 EFCDLP C[N@@H+](Cc1cc(F)ccc1O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321945 474579323 /nfs/dbraw/zinc/57/93/23/474579323.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 2 2 344.430 2.600 20 10 EFCDLP C[NH+](Cc1cc(F)ccc1O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190321945 474579328 /nfs/dbraw/zinc/57/93/28/474579328.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 2 2 344.430 2.600 20 10 EFCDLP C[NH+](Cc1cc(F)ccc1O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190321945 474579332 /nfs/dbraw/zinc/57/93/32/474579332.db2.gz IXKGTZMOIMCTEM-FQEVSTJZSA-N 2 2 344.430 2.600 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278301586 474606935 /nfs/dbraw/zinc/60/69/35/474606935.db2.gz CRWCQQQYSAACAL-KRWDZBQOSA-N 2 2 349.544 2.550 20 10 EFCDLP COc1c(O)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926313 474919829 /nfs/dbraw/zinc/91/98/29/474919829.db2.gz VOMYBBNXOAMGRM-CYBMUJFWSA-N 2 2 337.420 2.521 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608540 474987737 /nfs/dbraw/zinc/98/77/37/474987737.db2.gz UYUIYBOGKOPDAH-CHWSQXEVSA-N 2 2 331.416 2.671 20 10 EFCDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285533807 475029620 /nfs/dbraw/zinc/02/96/20/475029620.db2.gz CTVDNBXBVWCVCS-YCXXCVGLSA-N 2 2 345.487 2.517 20 10 EFCDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285533807 475029627 /nfs/dbraw/zinc/02/96/27/475029627.db2.gz CTVDNBXBVWCVCS-YCXXCVGLSA-N 2 2 345.487 2.517 20 10 EFCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816801 475042922 /nfs/dbraw/zinc/04/29/22/475042922.db2.gz MOYSJXYFUVOSQZ-GJZGRUSLSA-N 2 2 332.423 2.598 20 10 EFCDLP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cc1O ZINC000285850886 475044205 /nfs/dbraw/zinc/04/42/05/475044205.db2.gz XWLDYNYQQXYWCU-SFHVURJKSA-N 2 2 337.483 2.990 20 10 EFCDLP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(F)cc1O ZINC000285850886 475044214 /nfs/dbraw/zinc/04/42/14/475044214.db2.gz XWLDYNYQQXYWCU-SFHVURJKSA-N 2 2 337.483 2.990 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CSC[C@@H]3C)CC2)cc1 ZINC000294777524 475083352 /nfs/dbraw/zinc/08/33/52/475083352.db2.gz NKZFCTJOCCPCPA-LPHOPBHVSA-N 2 2 349.544 2.548 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961081 475097025 /nfs/dbraw/zinc/09/70/25/475097025.db2.gz XISOEQYIGBDJJJ-FUHWJXTLSA-N 2 2 348.510 2.712 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961081 475097029 /nfs/dbraw/zinc/09/70/29/475097029.db2.gz XISOEQYIGBDJJJ-FUHWJXTLSA-N 2 2 348.510 2.712 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000292777175 475193618 /nfs/dbraw/zinc/19/36/18/475193618.db2.gz LALDBUKAAOTCFA-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000292777175 475193620 /nfs/dbraw/zinc/19/36/20/475193620.db2.gz LALDBUKAAOTCFA-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373116840 476378252 /nfs/dbraw/zinc/37/82/52/476378252.db2.gz ZPLDKVIZSLYZDU-CYBMUJFWSA-N 2 2 331.391 2.847 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373116840 476378257 /nfs/dbraw/zinc/37/82/57/476378257.db2.gz ZPLDKVIZSLYZDU-CYBMUJFWSA-N 2 2 331.391 2.847 20 10 EFCDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756407590 575732527 /nfs/dbraw/zinc/73/25/27/575732527.db2.gz BKXKUHSGKIEQNT-AWEZNQCLSA-N 2 2 341.446 2.739 20 10 EFCDLP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756407590 575732530 /nfs/dbraw/zinc/73/25/30/575732530.db2.gz BKXKUHSGKIEQNT-AWEZNQCLSA-N 2 2 341.446 2.739 20 10 EFCDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756407591 575732565 /nfs/dbraw/zinc/73/25/65/575732565.db2.gz BKXKUHSGKIEQNT-CQSZACIVSA-N 2 2 341.446 2.739 20 10 EFCDLP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756407591 575732569 /nfs/dbraw/zinc/73/25/69/575732569.db2.gz BKXKUHSGKIEQNT-CQSZACIVSA-N 2 2 341.446 2.739 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1O ZINC000756587045 575765614 /nfs/dbraw/zinc/76/56/14/575765614.db2.gz YJCLEEFSTYCNJA-QWHCGFSZSA-N 2 2 340.414 2.822 20 10 EFCDLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c[nH+]1 ZINC000769310670 577351198 /nfs/dbraw/zinc/35/11/98/577351198.db2.gz IYNSLQJAINJBOZ-LJQANCHMSA-N 2 2 326.444 2.557 20 10 EFCDLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c[nH+]1 ZINC000769310670 577351199 /nfs/dbraw/zinc/35/11/99/577351199.db2.gz IYNSLQJAINJBOZ-LJQANCHMSA-N 2 2 326.444 2.557 20 10 EFCDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118473 1250291582 /nfs/dbraw/zinc/29/15/82/1250291582.db2.gz HJKLAUKOETVIMP-NVXWUHKLSA-N 2 2 348.487 2.651 20 10 EFCDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118473 1250291588 /nfs/dbraw/zinc/29/15/88/1250291588.db2.gz HJKLAUKOETVIMP-NVXWUHKLSA-N 2 2 348.487 2.651 20 10 EFCDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118470 1250292239 /nfs/dbraw/zinc/29/22/39/1250292239.db2.gz HJKLAUKOETVIMP-DOTOQJQBSA-N 2 2 348.487 2.651 20 10 EFCDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118470 1250292247 /nfs/dbraw/zinc/29/22/47/1250292247.db2.gz HJKLAUKOETVIMP-DOTOQJQBSA-N 2 2 348.487 2.651 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825063435 1278402387 /nfs/dbraw/zinc/40/23/87/1278402387.db2.gz DSMHDLQIIJUVHV-QMMLZNLJSA-N 2 2 343.515 2.986 20 10 EFCDLP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817967419 1276410685 /nfs/dbraw/zinc/41/06/85/1276410685.db2.gz HXHZIXBEIXWYCC-VIFPVBQESA-N 2 2 329.213 2.864 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817945993 1276390590 /nfs/dbraw/zinc/39/05/90/1276390590.db2.gz PMUHYXYVBJGXMC-NXEZZACHSA-N 2 2 331.229 2.944 20 10 EFCDLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCC[NH2+]1 ZINC000817975528 1276415541 /nfs/dbraw/zinc/41/55/41/1276415541.db2.gz WBQMGOLWKHILMZ-XHDPSFHLSA-N 2 2 332.366 2.830 20 10 EFCDLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)ccc1O ZINC000817976717 1276416892 /nfs/dbraw/zinc/41/68/92/1276416892.db2.gz SCOVDSTWQIXNBK-GVXVVHGQSA-N 2 2 331.229 2.895 20 10 EFCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815563480 1287596539 /nfs/dbraw/zinc/59/65/39/1287596539.db2.gz DKDCZMIUJORZCX-NEPJUHHUSA-N 2 2 332.366 2.518 20 10 EFCDLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815576826 1287608684 /nfs/dbraw/zinc/60/86/84/1287608684.db2.gz ZFYXPPBRBPMGHO-QWHCGFSZSA-N 2 2 345.409 2.698 20 10 EFCDLP CC[N@H+](CCC[NH+](C)C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232403727 1312695022 /nfs/dbraw/zinc/69/50/22/1312695022.db2.gz BSRJUSOHCUXCMQ-UHFFFAOYSA-N 2 2 331.460 2.739 20 10 EFCDLP CC[N@@H+](CCC[NH+](C)C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232403727 1312695026 /nfs/dbraw/zinc/69/50/26/1312695026.db2.gz BSRJUSOHCUXCMQ-UHFFFAOYSA-N 2 2 331.460 2.739 20 10 EFCDLP CC[NH+]1CCC([N@H+](C)Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232405217 1312695208 /nfs/dbraw/zinc/69/52/08/1312695208.db2.gz HLQTYDSYUDZLQJ-UHFFFAOYSA-N 2 2 343.471 2.881 20 10 EFCDLP CC[NH+]1CCC([N@@H+](C)Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232405217 1312695211 /nfs/dbraw/zinc/69/52/11/1312695211.db2.gz HLQTYDSYUDZLQJ-UHFFFAOYSA-N 2 2 343.471 2.881 20 10 EFCDLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Cn1cccn1 ZINC000873024861 1289526657 /nfs/dbraw/zinc/52/66/57/1289526657.db2.gz CPLWTDKOJFWCCX-INIZCTEOSA-N 2 2 339.443 2.562 20 10 EFCDLP CN(C)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(O)c1 ZINC001232837015 1312791784 /nfs/dbraw/zinc/79/17/84/1312791784.db2.gz ZEDWNXLAIWZVGQ-UHFFFAOYSA-N 2 2 327.428 2.897 20 10 EFCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093769917 1291214744 /nfs/dbraw/zinc/21/47/44/1291214744.db2.gz CKGGJKJTUYXNLF-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093769917 1291214748 /nfs/dbraw/zinc/21/47/48/1291214748.db2.gz CKGGJKJTUYXNLF-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000879463706 1292146268 /nfs/dbraw/zinc/14/62/68/1292146268.db2.gz NGSKLRKBGCAFBT-KRWDZBQOSA-N 2 2 347.503 2.700 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000879463706 1292146272 /nfs/dbraw/zinc/14/62/72/1292146272.db2.gz NGSKLRKBGCAFBT-KRWDZBQOSA-N 2 2 347.503 2.700 20 10 EFCDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2O)CC3)n1 ZINC001203552216 1312953908 /nfs/dbraw/zinc/95/39/08/1312953908.db2.gz FGYQDNDIIYEQGT-UHFFFAOYSA-N 2 2 340.471 2.756 20 10 EFCDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2O)CC3)n1 ZINC001203552216 1312953913 /nfs/dbraw/zinc/95/39/13/1312953913.db2.gz FGYQDNDIIYEQGT-UHFFFAOYSA-N 2 2 340.471 2.756 20 10 EFCDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000883049068 1293442687 /nfs/dbraw/zinc/44/26/87/1293442687.db2.gz CIINWIHBVDUHCI-SJORKVTESA-N 2 2 340.414 2.528 20 10 EFCDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(F)cc(F)c3O)[nH+]c2)C1 ZINC000883073521 1293450405 /nfs/dbraw/zinc/45/04/05/1293450405.db2.gz SHZQIGYSFLPHIN-OAHLLOKOSA-N 2 2 348.397 2.818 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)COC(C)C)CC2)cc1 ZINC000800218358 1293962057 /nfs/dbraw/zinc/96/20/57/1293962057.db2.gz QDYAPLQAPUVLDO-SFHVURJKSA-N 2 2 349.519 2.610 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001203930663 1313049869 /nfs/dbraw/zinc/04/98/69/1313049869.db2.gz CBCOZKWQVHVWGH-WOJBJXKFSA-N 2 2 336.483 2.711 20 10 EFCDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000775726695 1294294995 /nfs/dbraw/zinc/29/49/95/1294294995.db2.gz WUDQAYAGPSGFTJ-OAHLLOKOSA-N 2 2 326.868 2.978 20 10 EFCDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000775726695 1294295002 /nfs/dbraw/zinc/29/50/02/1294295002.db2.gz WUDQAYAGPSGFTJ-OAHLLOKOSA-N 2 2 326.868 2.978 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1c(O)cccc1F ZINC000886505108 1294996147 /nfs/dbraw/zinc/99/61/47/1294996147.db2.gz LHYWWMLATRHNIU-CQSZACIVSA-N 2 2 344.434 2.529 20 10 EFCDLP COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1O ZINC001204346433 1313127457 /nfs/dbraw/zinc/12/74/57/1313127457.db2.gz PKVJUYLVOQFBKC-HOTGVXAUSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1O ZINC001204346433 1313127460 /nfs/dbraw/zinc/12/74/60/1313127460.db2.gz PKVJUYLVOQFBKC-HOTGVXAUSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(O)c1O ZINC001204346433 1313127462 /nfs/dbraw/zinc/12/74/62/1313127462.db2.gz PKVJUYLVOQFBKC-HOTGVXAUSA-N 2 2 334.460 2.945 20 10 EFCDLP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(O)c1O ZINC001204346433 1313127466 /nfs/dbraw/zinc/12/74/66/1313127466.db2.gz PKVJUYLVOQFBKC-HOTGVXAUSA-N 2 2 334.460 2.945 20 10 EFCDLP C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H]1C[NH2+]CCO1 ZINC001205537168 1313308033 /nfs/dbraw/zinc/30/80/33/1313308033.db2.gz DQNWFNCKLMDWGB-SFHVURJKSA-N 2 2 330.403 2.619 20 10 EFCDLP C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H]1C[NH2+]CCO1 ZINC001205537168 1313308037 /nfs/dbraw/zinc/30/80/37/1313308037.db2.gz DQNWFNCKLMDWGB-SFHVURJKSA-N 2 2 330.403 2.619 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401070 1313312622 /nfs/dbraw/zinc/31/26/22/1313312622.db2.gz GIANMBDTSKOFGX-CABCVRRESA-N 2 2 332.341 2.935 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401070 1313312626 /nfs/dbraw/zinc/31/26/26/1313312626.db2.gz GIANMBDTSKOFGX-CABCVRRESA-N 2 2 332.341 2.935 20 10 EFCDLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001205580257 1313316901 /nfs/dbraw/zinc/31/69/01/1313316901.db2.gz RUJKPQYHSLHKDL-AWEZNQCLSA-N 2 2 349.219 2.947 20 10 EFCDLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001205580257 1313316906 /nfs/dbraw/zinc/31/69/06/1313316906.db2.gz RUJKPQYHSLHKDL-AWEZNQCLSA-N 2 2 349.219 2.947 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205787753 1313356238 /nfs/dbraw/zinc/35/62/38/1313356238.db2.gz IFEXSUJPDLCSSC-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205787753 1313356242 /nfs/dbraw/zinc/35/62/42/1313356242.db2.gz IFEXSUJPDLCSSC-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856513 1313367100 /nfs/dbraw/zinc/36/71/00/1313367100.db2.gz WERVANLGOFPINB-YPMHNXCESA-N 2 2 332.366 2.893 20 10 EFCDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856513 1313367101 /nfs/dbraw/zinc/36/71/01/1313367101.db2.gz WERVANLGOFPINB-YPMHNXCESA-N 2 2 332.366 2.893 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC001236670971 1313506837 /nfs/dbraw/zinc/50/68/37/1313506837.db2.gz QYUHCZHQVDHDHW-KBPBESRZSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1CCC([N@H+](C)Cc2cc(O)c(Br)cc2O)CC1 ZINC001236772427 1313526131 /nfs/dbraw/zinc/52/61/31/1313526131.db2.gz AUIYMKTUEVHHKO-UHFFFAOYSA-N 2 2 343.265 2.776 20 10 EFCDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)c(Br)cc2O)CC1 ZINC001236772427 1313526134 /nfs/dbraw/zinc/52/61/34/1313526134.db2.gz AUIYMKTUEVHHKO-UHFFFAOYSA-N 2 2 343.265 2.776 20 10 EFCDLP CCc1ccc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c(O)c1 ZINC001236786067 1313528398 /nfs/dbraw/zinc/52/83/98/1313528398.db2.gz LQVGZVONEAIYQP-UHFFFAOYSA-N 2 2 338.411 2.746 20 10 EFCDLP CCc1ccc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c(O)c1 ZINC001236786067 1313528400 /nfs/dbraw/zinc/52/84/00/1313528400.db2.gz LQVGZVONEAIYQP-UHFFFAOYSA-N 2 2 338.411 2.746 20 10 EFCDLP C[N@H+](Cc1cccc(O)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933671 1313556872 /nfs/dbraw/zinc/55/68/72/1313556872.db2.gz ZIFYPUUSCOKLTR-UHFFFAOYSA-N 2 2 343.446 2.915 20 10 EFCDLP C[N@@H+](Cc1cccc(O)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933671 1313556875 /nfs/dbraw/zinc/55/68/75/1313556875.db2.gz ZIFYPUUSCOKLTR-UHFFFAOYSA-N 2 2 343.446 2.915 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4occc4C3)c(F)c2)CC1 ZINC001236941463 1313557988 /nfs/dbraw/zinc/55/79/88/1313557988.db2.gz BNHLDYYJHFDOKP-UHFFFAOYSA-N 2 2 329.419 2.729 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4occc4C3)c(F)c2)CC1 ZINC001236941463 1313557991 /nfs/dbraw/zinc/55/79/91/1313557991.db2.gz BNHLDYYJHFDOKP-UHFFFAOYSA-N 2 2 329.419 2.729 20 10 EFCDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Cl)c(Cl)cc1O ZINC000854232094 1300480424 /nfs/dbraw/zinc/48/04/24/1300480424.db2.gz LLHJKBCRDZYEAY-SSDOTTSWSA-N 2 2 343.214 2.504 20 10 EFCDLP CC[NH+](CC)CCN1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237946249 1313734642 /nfs/dbraw/zinc/73/46/42/1313734642.db2.gz HSDAULBLJJNCNX-UHFFFAOYSA-N 2 2 343.874 2.644 20 10 EFCDLP Cc1cc(F)cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063910 1313754061 /nfs/dbraw/zinc/75/40/61/1313754061.db2.gz MSBZDDJLVSVGAG-HDICACEKSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063910 1313754064 /nfs/dbraw/zinc/75/40/64/1313754064.db2.gz MSBZDDJLVSVGAG-HDICACEKSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063910 1313754067 /nfs/dbraw/zinc/75/40/67/1313754067.db2.gz MSBZDDJLVSVGAG-HDICACEKSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063910 1313754070 /nfs/dbraw/zinc/75/40/70/1313754070.db2.gz MSBZDDJLVSVGAG-HDICACEKSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1ccc(C)n1-c1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001209520226 1314179353 /nfs/dbraw/zinc/17/93/53/1314179353.db2.gz RHMTVEPSCASRFS-UHFFFAOYSA-N 2 2 338.499 2.526 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001276788909 1315211803 /nfs/dbraw/zinc/21/18/03/1315211803.db2.gz JPRXVLFUNUREPA-ZNXRZULTSA-N 2 2 349.906 2.891 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1Cl ZINC001276788909 1315211804 /nfs/dbraw/zinc/21/18/04/1315211804.db2.gz JPRXVLFUNUREPA-ZNXRZULTSA-N 2 2 349.906 2.891 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC(C)(C)O1 ZINC001253996828 1315663395 /nfs/dbraw/zinc/66/33/95/1315663395.db2.gz HDAZYISZJHHIIJ-OAHLLOKOSA-N 2 2 335.467 2.577 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC(C)(C)O1 ZINC001253996828 1315663397 /nfs/dbraw/zinc/66/33/97/1315663397.db2.gz HDAZYISZJHHIIJ-OAHLLOKOSA-N 2 2 335.467 2.577 20 10 EFCDLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279969092 1317425988 /nfs/dbraw/zinc/42/59/88/1317425988.db2.gz SYKSVICDFRHVQC-OAHLLOKOSA-N 2 2 348.406 2.501 20 10 EFCDLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279969091 1317426018 /nfs/dbraw/zinc/42/60/18/1317426018.db2.gz SYKSVICDFRHVQC-HNNXBMFYSA-N 2 2 348.406 2.501 20 10 EFCDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)O1 ZINC001319704829 1328956405 /nfs/dbraw/zinc/95/64/05/1328956405.db2.gz DAGQERFHYUBJIM-NVXWUHKLSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)O1 ZINC001319704829 1328956409 /nfs/dbraw/zinc/95/64/09/1328956409.db2.gz DAGQERFHYUBJIM-NVXWUHKLSA-N 2 2 335.467 2.577 20 10 EFCDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c2nccn21 ZINC001324438706 1329627508 /nfs/dbraw/zinc/62/75/08/1329627508.db2.gz OQCQEBURROYIEF-PBHICJAKSA-N 2 2 343.450 2.570 20 10 EFCDLP CCC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001337042869 1331530796 /nfs/dbraw/zinc/53/07/96/1331530796.db2.gz UIAKUKHVZJXXKE-QGZVFWFLSA-N 2 2 335.467 2.578 20 10 EFCDLP CCC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001337042869 1331530797 /nfs/dbraw/zinc/53/07/97/1331530797.db2.gz UIAKUKHVZJXXKE-QGZVFWFLSA-N 2 2 335.467 2.578 20 10 EFCDLP COc1cc(C)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC001338250122 1331679570 /nfs/dbraw/zinc/67/95/70/1331679570.db2.gz KAQVCFPTJPYIPC-OAHLLOKOSA-N 2 2 329.444 2.897 20 10 EFCDLP COc1cc(C)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC001338250122 1331679572 /nfs/dbraw/zinc/67/95/72/1331679572.db2.gz KAQVCFPTJPYIPC-OAHLLOKOSA-N 2 2 329.444 2.897 20 10 EFCDLP c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001346539708 1332654777 /nfs/dbraw/zinc/65/47/77/1332654777.db2.gz FZLQZORWJRVRJL-FQEVSTJZSA-N 2 2 343.515 2.974 20 10 EFCDLP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001346539708 1332654780 /nfs/dbraw/zinc/65/47/80/1332654780.db2.gz FZLQZORWJRVRJL-FQEVSTJZSA-N 2 2 343.515 2.974 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)CC1 ZINC000895607349 724221835 /nfs/dbraw/zinc/22/18/35/724221835.db2.gz NCWZAEXYZLEZCD-UHFFFAOYSA-N 2 2 347.409 2.712 20 10 EFCDLP C[C@@H]1Cc2cc(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861172 1089493935 /nfs/dbraw/zinc/49/39/35/1089493935.db2.gz BUSSBAQNZISFDO-KUHUBIRLSA-N 2 2 325.456 2.866 20 10 EFCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1 ZINC001578424580 1090369700 /nfs/dbraw/zinc/36/97/00/1090369700.db2.gz NHZYQGFDOQNNIO-IBGZPJMESA-N 2 2 327.472 2.770 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580885567 1091035006 /nfs/dbraw/zinc/03/50/06/1091035006.db2.gz FBPGGUCKISMHHM-UKRRQHHQSA-N 2 2 343.240 2.916 20 10 EFCDLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952390 1093191700 /nfs/dbraw/zinc/19/17/00/1093191700.db2.gz SPPZABNAFZZPFD-LLVKDONJSA-N 2 2 344.463 2.532 20 10 EFCDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001205018688 1101707234 /nfs/dbraw/zinc/70/72/34/1101707234.db2.gz YBFPFURZZSBDLX-GFCCVEGCSA-N 2 2 327.266 2.895 20 10 EFCDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001205018688 1101707248 /nfs/dbraw/zinc/70/72/48/1101707248.db2.gz YBFPFURZZSBDLX-GFCCVEGCSA-N 2 2 327.266 2.895 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168366585 1109774057 /nfs/dbraw/zinc/77/40/57/1109774057.db2.gz XMBNWLKVYXHVBG-UHFFFAOYSA-N 3 2 343.515 2.821 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1O ZINC000187726595 299272806 /nfs/dbraw/zinc/27/28/06/299272806.db2.gz JFCASLRJTNCXJC-QWHCGFSZSA-N 2 2 340.414 2.822 20 10 EFCDLP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]cn3)cc2F)CC1 ZINC000301227198 241186131 /nfs/dbraw/zinc/18/61/31/241186131.db2.gz CLACIBWTQIWKSG-UHFFFAOYSA-N 2 2 329.423 2.678 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648910 296123101 /nfs/dbraw/zinc/12/31/01/296123101.db2.gz SPMNZZIDMDHAQZ-CHWSQXEVSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648910 296123103 /nfs/dbraw/zinc/12/31/03/296123103.db2.gz SPMNZZIDMDHAQZ-CHWSQXEVSA-N 2 2 328.403 2.822 20 10 EFCDLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187698984 285323376 /nfs/dbraw/zinc/32/33/76/285323376.db2.gz HZTRRDNPBHLCNL-KGLIPLIRSA-N 2 2 341.446 2.595 20 10 EFCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000184991941 473294726 /nfs/dbraw/zinc/29/47/26/473294726.db2.gz SWIBOQUYTRMZNW-VQIMIIECSA-N 2 2 340.467 2.770 20 10 EFCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000184991941 473294736 /nfs/dbraw/zinc/29/47/36/473294736.db2.gz SWIBOQUYTRMZNW-VQIMIIECSA-N 2 2 340.467 2.770 20 10 EFCDLP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663985 473132963 /nfs/dbraw/zinc/13/29/63/473132963.db2.gz GEHMHFGKVKDWCM-HXUWFJFHSA-N 2 2 343.515 2.831 20 10 EFCDLP c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663985 473132969 /nfs/dbraw/zinc/13/29/69/473132969.db2.gz GEHMHFGKVKDWCM-HXUWFJFHSA-N 2 2 343.515 2.831 20 10 EFCDLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1O)N1CC[NH+](C)CC1 ZINC000191197437 473504496 /nfs/dbraw/zinc/50/44/96/473504496.db2.gz WQKSSYUWGWVBTI-CZUORRHYSA-N 2 2 341.446 2.593 20 10 EFCDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187143952 473824977 /nfs/dbraw/zinc/82/49/77/473824977.db2.gz MXCJTYYWRLCDKG-LBPRGKRZSA-N 2 2 345.281 2.692 20 10 EFCDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187143952 473824985 /nfs/dbraw/zinc/82/49/85/473824985.db2.gz MXCJTYYWRLCDKG-LBPRGKRZSA-N 2 2 345.281 2.692 20 10 EFCDLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187699001 473905696 /nfs/dbraw/zinc/90/56/96/473905696.db2.gz HZTRRDNPBHLCNL-UONOGXRCSA-N 2 2 341.446 2.595 20 10 EFCDLP COc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1O ZINC000289415908 474260210 /nfs/dbraw/zinc/26/02/10/474260210.db2.gz ILVSNDYQWWDURZ-UHFFFAOYSA-N 2 2 332.366 2.907 20 10 EFCDLP C[N@H+](Cc1cc(F)ccc1O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321927 474578643 /nfs/dbraw/zinc/57/86/43/474578643.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 2 2 344.430 2.600 20 10 EFCDLP C[N@@H+](Cc1cc(F)ccc1O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190321927 474578648 /nfs/dbraw/zinc/57/86/48/474578648.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 2 2 344.430 2.600 20 10 EFCDLP C[NH+](Cc1cc(F)ccc1O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190321927 474578651 /nfs/dbraw/zinc/57/86/51/474578651.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 2 2 344.430 2.600 20 10 EFCDLP C[NH+](Cc1cc(F)ccc1O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190321927 474578653 /nfs/dbraw/zinc/57/86/53/474578653.db2.gz IXKGTZMOIMCTEM-HXUWFJFHSA-N 2 2 344.430 2.600 20 10 EFCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184730808 474596679 /nfs/dbraw/zinc/59/66/79/474596679.db2.gz KOAIGJIPJFBSRR-HNNXBMFYSA-N 2 2 329.444 2.979 20 10 EFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184730808 474596681 /nfs/dbraw/zinc/59/66/81/474596681.db2.gz KOAIGJIPJFBSRR-HNNXBMFYSA-N 2 2 329.444 2.979 20 10 EFCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000278244750 474604160 /nfs/dbraw/zinc/60/41/60/474604160.db2.gz LUNIBVPHMIQTDJ-MNOVXSKESA-N 2 2 333.259 2.806 20 10 EFCDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551517 474616407 /nfs/dbraw/zinc/61/64/07/474616407.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 2 2 325.250 2.681 20 10 EFCDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551517 474616412 /nfs/dbraw/zinc/61/64/12/474616412.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551517 474616417 /nfs/dbraw/zinc/61/64/17/474616417.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551517 474616420 /nfs/dbraw/zinc/61/64/20/474616420.db2.gz DAAGQNIRDMXMCT-BXUZGUMPSA-N 2 2 325.250 2.681 20 10 EFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648917 474753975 /nfs/dbraw/zinc/75/39/75/474753975.db2.gz SPMNZZIDMDHAQZ-STQMWFEESA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648917 474753978 /nfs/dbraw/zinc/75/39/78/474753978.db2.gz SPMNZZIDMDHAQZ-STQMWFEESA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648914 474754022 /nfs/dbraw/zinc/75/40/22/474754022.db2.gz SPMNZZIDMDHAQZ-QWHCGFSZSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000278648914 474754028 /nfs/dbraw/zinc/75/40/28/474754028.db2.gz SPMNZZIDMDHAQZ-QWHCGFSZSA-N 2 2 328.403 2.822 20 10 EFCDLP COc1c(O)c(C[NH2+]CCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000278898937 474901163 /nfs/dbraw/zinc/90/11/63/474901163.db2.gz QRGCPJCANAAOHE-UHFFFAOYSA-N 2 2 346.387 2.686 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000273608544 474988259 /nfs/dbraw/zinc/98/82/59/474988259.db2.gz UYUIYBOGKOPDAH-QWHCGFSZSA-N 2 2 331.416 2.671 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000273610331 474989735 /nfs/dbraw/zinc/98/97/35/474989735.db2.gz VOECIMNPPYWVPH-CYBMUJFWSA-N 2 2 332.444 2.846 20 10 EFCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268816802 475044029 /nfs/dbraw/zinc/04/40/29/475044029.db2.gz MOYSJXYFUVOSQZ-HUUCEWRRSA-N 2 2 332.423 2.598 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879910 475048381 /nfs/dbraw/zinc/04/83/81/475048381.db2.gz HQCJMEJAVPBHOB-FXAWDEMLSA-N 2 2 330.520 2.573 20 10 EFCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000373225242 476386471 /nfs/dbraw/zinc/38/64/71/476386471.db2.gz DKYQRBMHQOZEDI-ZDUSSCGKSA-N 2 2 331.416 2.523 20 10 EFCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000373225242 476386479 /nfs/dbraw/zinc/38/64/79/476386479.db2.gz DKYQRBMHQOZEDI-ZDUSSCGKSA-N 2 2 331.416 2.523 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000756361582 575723252 /nfs/dbraw/zinc/72/32/52/575723252.db2.gz KGUMTNAFSVERBY-OAHLLOKOSA-N 2 2 334.460 2.951 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1O ZINC000756459915 575742638 /nfs/dbraw/zinc/74/26/38/575742638.db2.gz QECCXDGDHRYRHZ-WDEREUQCSA-N 2 2 333.259 2.806 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1O ZINC000756587046 575765659 /nfs/dbraw/zinc/76/56/59/575765659.db2.gz YJCLEEFSTYCNJA-STQMWFEESA-N 2 2 340.414 2.822 20 10 EFCDLP CCOc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c(O)c1 ZINC000769331072 577352899 /nfs/dbraw/zinc/35/28/99/577352899.db2.gz BXZHDMYMXIAIPX-UHFFFAOYSA-N 2 2 343.427 2.517 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000771819503 581247187 /nfs/dbraw/zinc/24/71/87/581247187.db2.gz QMSTWQKQNNTFJA-UHFFFAOYSA-N 3 2 342.531 2.545 20 10 EFCDLP CCN(C)c1ccc(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1 ZINC000773785577 581464475 /nfs/dbraw/zinc/46/44/75/581464475.db2.gz MHPLEARAFKUSJX-HNNXBMFYSA-N 2 2 332.517 2.752 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843126340 1260705662 /nfs/dbraw/zinc/70/56/62/1260705662.db2.gz JMNBBPBKGSZXBU-CJNGLKHVSA-N 2 2 327.394 2.955 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843126340 1260705671 /nfs/dbraw/zinc/70/56/71/1260705671.db2.gz JMNBBPBKGSZXBU-CJNGLKHVSA-N 2 2 327.394 2.955 20 10 EFCDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000825279040 1278490417 /nfs/dbraw/zinc/49/04/17/1278490417.db2.gz LURGOBWXHIPPRE-UHFFFAOYSA-N 2 2 343.874 2.690 20 10 EFCDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000700809402 1269549197 /nfs/dbraw/zinc/54/91/97/1269549197.db2.gz PIPIOACPGNTFHZ-LBPRGKRZSA-N 2 2 327.266 2.976 20 10 EFCDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000700809402 1269549201 /nfs/dbraw/zinc/54/92/01/1269549201.db2.gz PIPIOACPGNTFHZ-LBPRGKRZSA-N 2 2 327.266 2.976 20 10 EFCDLP C[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCC[NH+](C)C1 ZINC000705213028 1273994676 /nfs/dbraw/zinc/99/46/76/1273994676.db2.gz RPHWTHQUMWLWKM-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCC[NH+](C)C1 ZINC000705213028 1273994682 /nfs/dbraw/zinc/99/46/82/1273994682.db2.gz RPHWTHQUMWLWKM-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1ccc(Br)cc1O)C[C@@H]1CCC[N@H+](C)C1 ZINC000705213028 1273994687 /nfs/dbraw/zinc/99/46/87/1273994687.db2.gz RPHWTHQUMWLWKM-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1ccc(Br)cc1O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705213028 1273994691 /nfs/dbraw/zinc/99/46/91/1273994691.db2.gz RPHWTHQUMWLWKM-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706835088 1275041730 /nfs/dbraw/zinc/04/17/30/1275041730.db2.gz QAZKZHPFTIBUJG-LBPRGKRZSA-N 2 2 327.266 2.976 20 10 EFCDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706835088 1275041741 /nfs/dbraw/zinc/04/17/41/1275041741.db2.gz QAZKZHPFTIBUJG-LBPRGKRZSA-N 2 2 327.266 2.976 20 10 EFCDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1C[NH3+] ZINC000817865966 1276351573 /nfs/dbraw/zinc/35/15/73/1276351573.db2.gz QFIFCUJNBDUJDO-MDZLAQPJSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2O)C[C@@H]1C[NH3+] ZINC000817865966 1276351566 /nfs/dbraw/zinc/35/15/66/1276351566.db2.gz QFIFCUJNBDUJDO-MDZLAQPJSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(Br)c2O)C[C@H]1C[NH3+] ZINC000817865967 1276351855 /nfs/dbraw/zinc/35/18/55/1276351855.db2.gz QFIFCUJNBDUJDO-NQBHXWOUSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C[NH3+] ZINC000817865967 1276351862 /nfs/dbraw/zinc/35/18/62/1276351862.db2.gz QFIFCUJNBDUJDO-NQBHXWOUSA-N 2 2 327.266 2.960 20 10 EFCDLP CC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817902798 1276367627 /nfs/dbraw/zinc/36/76/27/1276367627.db2.gz YGGCKHFSJIXVML-RTWAWAEBSA-N 2 2 343.515 2.780 20 10 EFCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817941552 1276386839 /nfs/dbraw/zinc/38/68/39/1276386839.db2.gz KNALQTXBPLNLEI-SCLBCKFNSA-N 2 2 329.444 2.817 20 10 EFCDLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(O)c1C ZINC000817951137 1276396025 /nfs/dbraw/zinc/39/60/25/1276396025.db2.gz BWNIIQMYGFDHAF-OAHLLOKOSA-N 2 2 326.444 2.987 20 10 EFCDLP C[C@@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2c1c(F)ccc2O ZINC000817951827 1276396380 /nfs/dbraw/zinc/39/63/80/1276396380.db2.gz HMMTYKWVIAXQDO-IUODEOHRSA-N 2 2 342.418 2.996 20 10 EFCDLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1O ZINC000817951307 1276396740 /nfs/dbraw/zinc/39/67/40/1276396740.db2.gz CYRBSYXXMPOFJW-INIZCTEOSA-N 2 2 330.407 2.899 20 10 EFCDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(F)cc(F)c1O ZINC000817953110 1276397273 /nfs/dbraw/zinc/39/72/73/1276397273.db2.gz NEYFZCZUAVXHIO-NSHDSACASA-N 2 2 334.370 2.648 20 10 EFCDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975190 1276416295 /nfs/dbraw/zinc/41/62/95/1276416295.db2.gz RMMRIXJIMHZMMQ-NHYWBVRUSA-N 2 2 343.265 2.574 20 10 EFCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000817983063 1276420980 /nfs/dbraw/zinc/42/09/80/1276420980.db2.gz JTDQRJCTFJUWBA-PKOBYXMFSA-N 2 2 326.440 2.644 20 10 EFCDLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901889 1279324785 /nfs/dbraw/zinc/32/47/85/1279324785.db2.gz IELBGFCHKBORAF-PEYYIBSZSA-N 2 2 342.842 2.903 20 10 EFCDLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901889 1279324794 /nfs/dbraw/zinc/32/47/94/1279324794.db2.gz IELBGFCHKBORAF-PEYYIBSZSA-N 2 2 342.842 2.903 20 10 EFCDLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901890 1279325521 /nfs/dbraw/zinc/32/55/21/1279325521.db2.gz IELBGFCHKBORAF-SGIREYDYSA-N 2 2 342.842 2.903 20 10 EFCDLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901890 1279325532 /nfs/dbraw/zinc/32/55/32/1279325532.db2.gz IELBGFCHKBORAF-SGIREYDYSA-N 2 2 342.842 2.903 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000793519980 1279714346 /nfs/dbraw/zinc/71/43/46/1279714346.db2.gz SDUJWHWHNZGYEY-LJQANCHMSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815563481 1287595991 /nfs/dbraw/zinc/59/59/91/1287595991.db2.gz DKDCZMIUJORZCX-NWDGAFQWSA-N 2 2 332.366 2.518 20 10 EFCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1O ZINC001170792422 1287601801 /nfs/dbraw/zinc/60/18/01/1287601801.db2.gz MWXXDZHXBFXDJI-VHKYSDTDSA-N 2 2 342.439 2.998 20 10 EFCDLP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715812034 1284367214 /nfs/dbraw/zinc/36/72/14/1284367214.db2.gz IDISWUQJRYDNLV-UHFFFAOYSA-N 2 2 329.213 2.645 20 10 EFCDLP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715812034 1284367220 /nfs/dbraw/zinc/36/72/20/1284367220.db2.gz IDISWUQJRYDNLV-UHFFFAOYSA-N 2 2 329.213 2.645 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843125784 1286088847 /nfs/dbraw/zinc/08/88/47/1286088847.db2.gz AAYKYEBPFWYRPC-SMDDNHRTSA-N 2 2 325.250 2.647 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843125784 1286088853 /nfs/dbraw/zinc/08/88/53/1286088853.db2.gz AAYKYEBPFWYRPC-SMDDNHRTSA-N 2 2 325.250 2.647 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521418 1288169755 /nfs/dbraw/zinc/16/97/55/1288169755.db2.gz OPKUVPAKVFQCNB-SRCQZFHVSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521418 1288169758 /nfs/dbraw/zinc/16/97/58/1288169758.db2.gz OPKUVPAKVFQCNB-SRCQZFHVSA-N 2 2 342.842 2.868 20 10 EFCDLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1N(C)C ZINC000852008927 1299500331 /nfs/dbraw/zinc/50/03/31/1299500331.db2.gz JVROXNBGKIJWKO-IBGZPJMESA-N 2 2 331.504 2.748 20 10 EFCDLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1N(C)C ZINC000852008927 1299500335 /nfs/dbraw/zinc/50/03/35/1299500335.db2.gz JVROXNBGKIJWKO-IBGZPJMESA-N 2 2 331.504 2.748 20 10 EFCDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007749 1289515181 /nfs/dbraw/zinc/51/51/81/1289515181.db2.gz DLINDBBUPCMSKT-GOSISDBHSA-N 2 2 328.460 2.514 20 10 EFCDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007749 1289515188 /nfs/dbraw/zinc/51/51/88/1289515188.db2.gz DLINDBBUPCMSKT-GOSISDBHSA-N 2 2 328.460 2.514 20 10 EFCDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007750 1289515580 /nfs/dbraw/zinc/51/55/80/1289515580.db2.gz DLINDBBUPCMSKT-SFHVURJKSA-N 2 2 328.460 2.514 20 10 EFCDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007750 1289515590 /nfs/dbraw/zinc/51/55/90/1289515590.db2.gz DLINDBBUPCMSKT-SFHVURJKSA-N 2 2 328.460 2.514 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(Br)cc(C)c3O)C[C@H]2C1 ZINC001233111532 1312856464 /nfs/dbraw/zinc/85/64/64/1312856464.db2.gz SGAAHFLUOXVTMU-ZIAGYGMSSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895716 /nfs/dbraw/zinc/89/57/16/1312895716.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895720 /nfs/dbraw/zinc/89/57/20/1312895720.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895723 /nfs/dbraw/zinc/89/57/23/1312895723.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895728 /nfs/dbraw/zinc/89/57/28/1312895728.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203648732 1312980201 /nfs/dbraw/zinc/98/02/01/1312980201.db2.gz RLSRBXSSDUAVGQ-CHWSQXEVSA-N 2 2 325.250 2.538 20 10 EFCDLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203650617 1312980916 /nfs/dbraw/zinc/98/09/16/1312980916.db2.gz YAWTTYCXORBDHO-KBPBESRZSA-N 2 2 339.277 2.928 20 10 EFCDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000883049067 1293442579 /nfs/dbraw/zinc/44/25/79/1293442579.db2.gz CIINWIHBVDUHCI-IRXDYDNUSA-N 2 2 340.414 2.528 20 10 EFCDLP C[N@H+](Cc1nccn1C(F)F)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651059 1293898968 /nfs/dbraw/zinc/89/89/68/1293898968.db2.gz KFUWBGUTJDDRAD-UHFFFAOYSA-N 2 2 349.429 2.662 20 10 EFCDLP C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651059 1293898972 /nfs/dbraw/zinc/89/89/72/1293898972.db2.gz KFUWBGUTJDDRAD-UHFFFAOYSA-N 2 2 349.429 2.662 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001203938798 1313051536 /nfs/dbraw/zinc/05/15/36/1313051536.db2.gz DZKMVSTUIBEBMY-AZUAARDMSA-N 2 2 331.504 2.685 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001203938798 1313051539 /nfs/dbraw/zinc/05/15/39/1313051539.db2.gz DZKMVSTUIBEBMY-AZUAARDMSA-N 2 2 331.504 2.685 20 10 EFCDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)cc1 ZINC001203938798 1313051543 /nfs/dbraw/zinc/05/15/43/1313051543.db2.gz DZKMVSTUIBEBMY-AZUAARDMSA-N 2 2 331.504 2.685 20 10 EFCDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)cc1 ZINC001203938798 1313051546 /nfs/dbraw/zinc/05/15/46/1313051546.db2.gz DZKMVSTUIBEBMY-AZUAARDMSA-N 2 2 331.504 2.685 20 10 EFCDLP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc(O)c1O ZINC001204347922 1313127259 /nfs/dbraw/zinc/12/72/59/1313127259.db2.gz DAKSTZXSXTVKIB-UHFFFAOYSA-N 2 2 343.427 2.549 20 10 EFCDLP COC(=O)c1c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998350 1313219603 /nfs/dbraw/zinc/21/96/03/1313219603.db2.gz HXUCVZAPKLZMFO-HXUWFJFHSA-N 2 2 341.455 2.540 20 10 EFCDLP COC(=O)c1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998350 1313219605 /nfs/dbraw/zinc/21/96/05/1313219605.db2.gz HXUCVZAPKLZMFO-HXUWFJFHSA-N 2 2 341.455 2.540 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235034507 1313228722 /nfs/dbraw/zinc/22/87/22/1313228722.db2.gz ZNLYJTOWOBCJGV-FQEVSTJZSA-N 2 2 341.455 2.540 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235034507 1313228724 /nfs/dbraw/zinc/22/87/24/1313228724.db2.gz ZNLYJTOWOBCJGV-FQEVSTJZSA-N 2 2 341.455 2.540 20 10 EFCDLP Oc1c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235116205 1313245167 /nfs/dbraw/zinc/24/51/67/1313245167.db2.gz LTFDOZGZFBIVPA-NRFANRHFSA-N 2 2 341.499 2.809 20 10 EFCDLP Oc1c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235116205 1313245171 /nfs/dbraw/zinc/24/51/71/1313245171.db2.gz LTFDOZGZFBIVPA-NRFANRHFSA-N 2 2 341.499 2.809 20 10 EFCDLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001205578602 1313316214 /nfs/dbraw/zinc/31/62/14/1313316214.db2.gz GREDRCGWOHTUDD-AWEZNQCLSA-N 2 2 349.219 2.947 20 10 EFCDLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001205578602 1313316218 /nfs/dbraw/zinc/31/62/18/1313316218.db2.gz GREDRCGWOHTUDD-AWEZNQCLSA-N 2 2 349.219 2.947 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618112 1313323633 /nfs/dbraw/zinc/32/36/33/1313323633.db2.gz RNXDDSBDMNORDQ-OCCSQVGLSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205618112 1313323636 /nfs/dbraw/zinc/32/36/36/1313323636.db2.gz RNXDDSBDMNORDQ-OCCSQVGLSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205787752 1313356176 /nfs/dbraw/zinc/35/61/76/1313356176.db2.gz IFEXSUJPDLCSSC-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205787752 1313356179 /nfs/dbraw/zinc/35/61/79/1313356179.db2.gz IFEXSUJPDLCSSC-LLVKDONJSA-N 2 2 349.219 2.879 20 10 EFCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856508 1313366941 /nfs/dbraw/zinc/36/69/41/1313366941.db2.gz WERVANLGOFPINB-AAEUAGOBSA-N 2 2 332.366 2.893 20 10 EFCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856508 1313366944 /nfs/dbraw/zinc/36/69/44/1313366944.db2.gz WERVANLGOFPINB-AAEUAGOBSA-N 2 2 332.366 2.893 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808321 1313402309 /nfs/dbraw/zinc/40/23/09/1313402309.db2.gz ZWFJNCGNOXOUBJ-OAHLLOKOSA-N 2 2 326.868 2.945 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808321 1313402312 /nfs/dbraw/zinc/40/23/12/1313402312.db2.gz ZWFJNCGNOXOUBJ-OAHLLOKOSA-N 2 2 326.868 2.945 20 10 EFCDLP Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008249 1313430945 /nfs/dbraw/zinc/43/09/45/1313430945.db2.gz CUIWVIZIKSMZGY-BEFAXECRSA-N 2 2 330.378 2.643 20 10 EFCDLP Oc1cc(F)c(F)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236008249 1313430946 /nfs/dbraw/zinc/43/09/46/1313430946.db2.gz CUIWVIZIKSMZGY-BEFAXECRSA-N 2 2 330.378 2.643 20 10 EFCDLP Oc1ccc(F)c(F)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011170 1313431434 /nfs/dbraw/zinc/43/14/34/1313431434.db2.gz UEBXEOPKVHROEZ-KUHUBIRLSA-N 2 2 330.378 2.643 20 10 EFCDLP Oc1ccc(F)c(F)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011170 1313431435 /nfs/dbraw/zinc/43/14/35/1313431435.db2.gz UEBXEOPKVHROEZ-KUHUBIRLSA-N 2 2 330.378 2.643 20 10 EFCDLP COc1cc(Br)cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1O ZINC001236200036 1313455100 /nfs/dbraw/zinc/45/51/00/1313455100.db2.gz HSYWWKSKHPBVFM-HNNXBMFYSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(Br)cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1O ZINC001236200036 1313455102 /nfs/dbraw/zinc/45/51/02/1313455102.db2.gz HSYWWKSKHPBVFM-HNNXBMFYSA-N 2 2 343.265 2.737 20 10 EFCDLP Oc1c(Br)cc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321956 1313469023 /nfs/dbraw/zinc/46/90/23/1313469023.db2.gz XOJVIGMDPBAMKT-PHIMTYICSA-N 2 2 343.240 2.725 20 10 EFCDLP Oc1c(Br)cc(F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321956 1313469024 /nfs/dbraw/zinc/46/90/24/1313469024.db2.gz XOJVIGMDPBAMKT-PHIMTYICSA-N 2 2 343.240 2.725 20 10 EFCDLP C[NH+](C)CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236925028 1313554071 /nfs/dbraw/zinc/55/40/71/1313554071.db2.gz VWGLHNNZKBUIGA-CQSZACIVSA-N 2 2 346.302 2.815 20 10 EFCDLP C[N@H+](Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930865 1313556173 /nfs/dbraw/zinc/55/61/73/1313556173.db2.gz GOFRPYZYEXBQEI-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP C[N@@H+](Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930865 1313556176 /nfs/dbraw/zinc/55/61/76/1313556176.db2.gz GOFRPYZYEXBQEI-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941973 1313558066 /nfs/dbraw/zinc/55/80/66/1313558066.db2.gz HZCUWLXPNXAGPV-IBGZPJMESA-N 2 2 333.451 2.521 20 10 EFCDLP CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941973 1313558068 /nfs/dbraw/zinc/55/80/68/1313558068.db2.gz HZCUWLXPNXAGPV-IBGZPJMESA-N 2 2 333.451 2.521 20 10 EFCDLP Cc1ncccc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945502 1313558714 /nfs/dbraw/zinc/55/87/14/1313558714.db2.gz JDLFNYGGQQDLPP-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP Cc1ncccc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945502 1313558719 /nfs/dbraw/zinc/55/87/19/1313558719.db2.gz JDLFNYGGQQDLPP-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP COCCC[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236951508 1313559744 /nfs/dbraw/zinc/55/97/44/1313559744.db2.gz XKDJITYLTGDEFX-MRXNPFEDSA-N 2 2 346.471 2.777 20 10 EFCDLP COCCC[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CC[NH2+]C1 ZINC001236951508 1313559747 /nfs/dbraw/zinc/55/97/47/1313559747.db2.gz XKDJITYLTGDEFX-MRXNPFEDSA-N 2 2 346.471 2.777 20 10 EFCDLP CC[NH+](CC)CCN1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237119883 1313589466 /nfs/dbraw/zinc/58/94/66/1313589466.db2.gz HDBISLKXUJLTGA-UHFFFAOYSA-N 2 2 343.874 2.644 20 10 EFCDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(Cl)cc1O ZINC001237938130 1313733871 /nfs/dbraw/zinc/73/38/71/1313733871.db2.gz YKXHRFKPFYBNDF-UHFFFAOYSA-N 2 2 346.830 2.502 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001238060783 1313753315 /nfs/dbraw/zinc/75/33/15/1313753315.db2.gz JBOGYUUYBJTKNK-IRXDYDNUSA-N 2 2 341.430 2.799 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800965161 1308753924 /nfs/dbraw/zinc/75/39/24/1308753924.db2.gz DSMHDLQIIJUVHV-IOMROCGXSA-N 2 2 343.515 2.986 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001276825885 1311049622 /nfs/dbraw/zinc/04/96/22/1311049622.db2.gz AVOMNXWSOLGGSQ-AGUYFDCRSA-N 2 2 328.412 2.522 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001276825885 1311049625 /nfs/dbraw/zinc/04/96/25/1311049625.db2.gz AVOMNXWSOLGGSQ-AGUYFDCRSA-N 2 2 328.412 2.522 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276826305 1311058760 /nfs/dbraw/zinc/05/87/60/1311058760.db2.gz NJOFKWFNVJXXGY-UHFFFAOYSA-N 2 2 342.439 2.725 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276826305 1311058763 /nfs/dbraw/zinc/05/87/63/1311058763.db2.gz NJOFKWFNVJXXGY-UHFFFAOYSA-N 2 2 342.439 2.725 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483504 1311784230 /nfs/dbraw/zinc/78/42/30/1311784230.db2.gz QXFVVGCLMCTVCG-RDJZCZTQSA-N 2 2 335.467 2.845 20 10 EFCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199064 1312646809 /nfs/dbraw/zinc/64/68/09/1312646809.db2.gz BCKSZNAOXKCRQZ-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199064 1312646813 /nfs/dbraw/zinc/64/68/13/1312646813.db2.gz BCKSZNAOXKCRQZ-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199064 1312646817 /nfs/dbraw/zinc/64/68/17/1312646817.db2.gz BCKSZNAOXKCRQZ-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199064 1312646820 /nfs/dbraw/zinc/64/68/20/1312646820.db2.gz BCKSZNAOXKCRQZ-LJQANCHMSA-N 2 2 349.906 2.704 20 10 EFCDLP Cn1c[nH+]cc1C[C@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217693266 1315101888 /nfs/dbraw/zinc/10/18/88/1315101888.db2.gz JRBSJHFHNIVZEZ-INIZCTEOSA-N 2 2 334.383 2.503 20 10 EFCDLP COc1ccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)c(C)c1 ZINC001256081608 1315902855 /nfs/dbraw/zinc/90/28/55/1315902855.db2.gz IWKHKKQCMSIJEK-UHFFFAOYSA-N 2 2 329.488 2.752 20 10 EFCDLP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2F)CC1 ZINC001333306568 1331112542 /nfs/dbraw/zinc/11/25/42/1331112542.db2.gz DQUQHKAGUNXVPH-KRWDZBQOSA-N 2 2 348.510 2.540 20 10 EFCDLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523429 1332265131 /nfs/dbraw/zinc/26/51/31/1332265131.db2.gz BFKPFFHVWVDNSB-DOTOQJQBSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523429 1332265135 /nfs/dbraw/zinc/26/51/35/1332265135.db2.gz BFKPFFHVWVDNSB-DOTOQJQBSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523434 1332265613 /nfs/dbraw/zinc/26/56/13/1332265613.db2.gz BFKPFFHVWVDNSB-WBVHZDCISA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523434 1332265615 /nfs/dbraw/zinc/26/56/15/1332265615.db2.gz BFKPFFHVWVDNSB-WBVHZDCISA-N 2 2 335.467 2.577 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)OCC3(C)C)cc2F)CC1 ZINC001341567880 1332268455 /nfs/dbraw/zinc/26/84/55/1332268455.db2.gz PRCGAXMQSVGECR-UHFFFAOYSA-N 2 2 349.494 2.967 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)OCC3(C)C)cc2F)CC1 ZINC001341567880 1332268460 /nfs/dbraw/zinc/26/84/60/1332268460.db2.gz PRCGAXMQSVGECR-UHFFFAOYSA-N 2 2 349.494 2.967 20 10 EFCDLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1OC ZINC001352015612 1333353125 /nfs/dbraw/zinc/35/31/25/1333353125.db2.gz HCFIWXXNUUOKCS-CQSZACIVSA-N 2 2 345.443 2.598 20 10 EFCDLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1OC ZINC001352015612 1333353128 /nfs/dbraw/zinc/35/31/28/1333353128.db2.gz HCFIWXXNUUOKCS-CQSZACIVSA-N 2 2 345.443 2.598 20 10 EFCDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849077858 1335070172 /nfs/dbraw/zinc/07/01/72/1335070172.db2.gz QSLNFZIXVDTIOW-LBPRGKRZSA-N 2 2 345.274 2.797 20 10 EFCDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849077858 1335070178 /nfs/dbraw/zinc/07/01/78/1335070178.db2.gz QSLNFZIXVDTIOW-LBPRGKRZSA-N 2 2 345.274 2.797 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CC3CC3)CC2)cc1 ZINC000162824303 716782246 /nfs/dbraw/zinc/78/22/46/716782246.db2.gz WUXWQCSSTVLOIK-QGZVFWFLSA-N 2 2 331.504 2.986 20 10 EFCDLP C[NH+]1CCC(CC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000105454249 717468547 /nfs/dbraw/zinc/46/85/47/717468547.db2.gz HALNYVMCYBXMBS-UHFFFAOYSA-N 2 2 327.266 2.976 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000162795058 721143764 /nfs/dbraw/zinc/14/37/64/721143764.db2.gz YEBXEGFOUVBJHV-UHFFFAOYSA-N 2 2 343.515 2.986 20 10 EFCDLP [NH3+]CC1(F)CC[NH+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001222548629 1099117324 /nfs/dbraw/zinc/11/73/24/1099117324.db2.gz VJWCNUUCJHPMMF-UHFFFAOYSA-N 2 2 335.192 2.557 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2)CC1 ZINC000897980660 1106183795 /nfs/dbraw/zinc/18/37/95/1106183795.db2.gz BLTVQAYYYXOEGH-UHFFFAOYSA-N 3 2 342.531 2.545 20 10 EFCDLP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000904353990 1107838414 /nfs/dbraw/zinc/83/84/14/1107838414.db2.gz SWTGYMXPQLEGGJ-LJQANCHMSA-N 2 2 341.455 2.637 20 10 EFCDLP CN(C)c1ccc([C@@H](CNCc2c[nH+]ccc2N(C)C)[NH+](C)C)cc1 ZINC000898450148 1108943852 /nfs/dbraw/zinc/94/38/52/1108943852.db2.gz ONVULVIQGAFTOO-HXUWFJFHSA-N 2 2 341.503 2.606 20 10 EFCDLP Oc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356965 240041281 /nfs/dbraw/zinc/04/12/81/240041281.db2.gz VSQAXNHEGAULST-LJQANCHMSA-N 2 2 326.440 2.773 20 10 EFCDLP Oc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356965 240041286 /nfs/dbraw/zinc/04/12/86/240041286.db2.gz VSQAXNHEGAULST-LJQANCHMSA-N 2 2 326.440 2.773 20 10 EFCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192842738 240066815 /nfs/dbraw/zinc/06/68/15/240066815.db2.gz NMTLXAGDTDNWKK-NEPJUHHUSA-N 2 2 346.302 2.986 20 10 EFCDLP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000273606691 296119202 /nfs/dbraw/zinc/11/92/02/296119202.db2.gz UHSUQTXRLXXEAF-SNVBAGLBSA-N 2 2 333.259 2.806 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000113320617 544569121 /nfs/dbraw/zinc/56/91/21/544569121.db2.gz OGSABYMZGCNRFL-MRXNPFEDSA-N 2 2 346.858 2.554 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000113320617 544569124 /nfs/dbraw/zinc/56/91/24/544569124.db2.gz OGSABYMZGCNRFL-MRXNPFEDSA-N 2 2 346.858 2.554 20 10 EFCDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N2CCOCC2)cc1 ZINC000091892530 472821670 /nfs/dbraw/zinc/82/16/70/472821670.db2.gz OBIOFVBGCRBCRY-UXHICEINSA-N 2 2 329.488 2.582 20 10 EFCDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N2CCOCC2)cc1 ZINC000091892530 472821673 /nfs/dbraw/zinc/82/16/73/472821673.db2.gz OBIOFVBGCRBCRY-UXHICEINSA-N 2 2 329.488 2.582 20 10 EFCDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000091892530 472821679 /nfs/dbraw/zinc/82/16/79/472821679.db2.gz OBIOFVBGCRBCRY-UXHICEINSA-N 2 2 329.488 2.582 20 10 EFCDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000091892530 472821686 /nfs/dbraw/zinc/82/16/86/472821686.db2.gz OBIOFVBGCRBCRY-UXHICEINSA-N 2 2 329.488 2.582 20 10 EFCDLP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287695899 473736099 /nfs/dbraw/zinc/73/60/99/473736099.db2.gz NJWOSYQBBGSXTQ-CZUORRHYSA-N 2 2 325.884 2.722 20 10 EFCDLP CN(CC[N@H+](C)Cc1c(O)cccc1Cl)C1CC[NH+](C)CC1 ZINC000289426986 474264880 /nfs/dbraw/zinc/26/48/80/474264880.db2.gz JYDDKTJWVDJYPN-UHFFFAOYSA-N 2 2 325.884 2.503 20 10 EFCDLP CN(CC[N@@H+](C)Cc1c(O)cccc1Cl)C1CC[NH+](C)CC1 ZINC000289426986 474264888 /nfs/dbraw/zinc/26/48/88/474264888.db2.gz JYDDKTJWVDJYPN-UHFFFAOYSA-N 2 2 325.884 2.503 20 10 EFCDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(O)cccc1Cl ZINC000289426986 474264895 /nfs/dbraw/zinc/26/48/95/474264895.db2.gz JYDDKTJWVDJYPN-UHFFFAOYSA-N 2 2 325.884 2.503 20 10 EFCDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(O)cccc1Cl ZINC000289426986 474264903 /nfs/dbraw/zinc/26/49/03/474264903.db2.gz JYDDKTJWVDJYPN-UHFFFAOYSA-N 2 2 325.884 2.503 20 10 EFCDLP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000290071576 474546836 /nfs/dbraw/zinc/54/68/36/474546836.db2.gz UFVUBOMKTKPPNK-HXUWFJFHSA-N 2 2 331.504 2.564 20 10 EFCDLP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000290071576 474546841 /nfs/dbraw/zinc/54/68/41/474546841.db2.gz UFVUBOMKTKPPNK-HXUWFJFHSA-N 2 2 331.504 2.564 20 10 EFCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290071576 474546849 /nfs/dbraw/zinc/54/68/49/474546849.db2.gz UFVUBOMKTKPPNK-HXUWFJFHSA-N 2 2 331.504 2.564 20 10 EFCDLP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290071576 474546856 /nfs/dbraw/zinc/54/68/56/474546856.db2.gz UFVUBOMKTKPPNK-HXUWFJFHSA-N 2 2 331.504 2.564 20 10 EFCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000278008923 474599765 /nfs/dbraw/zinc/59/97/65/474599765.db2.gz FMMKLNZHJYQEJK-UHFFFAOYSA-N 2 2 342.395 2.868 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000278301590 474606542 /nfs/dbraw/zinc/60/65/42/474606542.db2.gz CRWCQQQYSAACAL-QGZVFWFLSA-N 2 2 349.544 2.550 20 10 EFCDLP COc1c(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278296954 474606913 /nfs/dbraw/zinc/60/69/13/474606913.db2.gz VKUZKRYOXPNZCS-UHFFFAOYSA-N 2 2 349.431 2.759 20 10 EFCDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1O ZINC000272819722 474626708 /nfs/dbraw/zinc/62/67/08/474626708.db2.gz FMBRSHZOKMFQPX-ILZDJORESA-N 2 2 340.467 2.926 20 10 EFCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1O ZINC000272819722 474626711 /nfs/dbraw/zinc/62/67/11/474626711.db2.gz FMBRSHZOKMFQPX-ILZDJORESA-N 2 2 340.467 2.926 20 10 EFCDLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278624934 474741184 /nfs/dbraw/zinc/74/11/84/474741184.db2.gz GEHMMEPEXDPEBS-UHFFFAOYSA-N 2 2 339.436 2.911 20 10 EFCDLP COc1c(O)c(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278642865 474753255 /nfs/dbraw/zinc/75/32/55/474753255.db2.gz ICXQCMHVBQWRIU-UHFFFAOYSA-N 2 2 337.420 2.521 20 10 EFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1C ZINC000273604016 474986107 /nfs/dbraw/zinc/98/61/07/474986107.db2.gz SOEZMHSRAWLFMH-AEFFLSMTSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1C ZINC000273604016 474986114 /nfs/dbraw/zinc/98/61/14/474986114.db2.gz SOEZMHSRAWLFMH-AEFFLSMTSA-N 2 2 347.503 2.602 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000273610333 474990304 /nfs/dbraw/zinc/99/03/04/474990304.db2.gz VOECIMNPPYWVPH-ZDUSSCGKSA-N 2 2 332.444 2.846 20 10 EFCDLP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285760302 475040687 /nfs/dbraw/zinc/04/06/87/475040687.db2.gz SDCQUKHQEDEIHA-ROUUACIJSA-N 2 2 337.483 2.844 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961082 475098047 /nfs/dbraw/zinc/09/80/47/475098047.db2.gz XISOEQYIGBDJJJ-SJLPKXTDSA-N 2 2 348.510 2.712 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961082 475098055 /nfs/dbraw/zinc/09/80/55/475098055.db2.gz XISOEQYIGBDJJJ-SJLPKXTDSA-N 2 2 348.510 2.712 20 10 EFCDLP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287572437 475200296 /nfs/dbraw/zinc/20/02/96/475200296.db2.gz GWQUXZRHCNYWNB-WMLDXEAASA-N 2 2 339.911 2.970 20 10 EFCDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375021050 476642189 /nfs/dbraw/zinc/64/21/89/476642189.db2.gz NVYHUSYLJXIYNI-YOEHRIQHSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375021050 476642199 /nfs/dbraw/zinc/64/21/99/476642199.db2.gz NVYHUSYLJXIYNI-YOEHRIQHSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705982 476944302 /nfs/dbraw/zinc/94/43/02/476944302.db2.gz KRZKKTPBJVOFOT-PBHICJAKSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705982 476944305 /nfs/dbraw/zinc/94/43/05/476944305.db2.gz KRZKKTPBJVOFOT-PBHICJAKSA-N 2 2 337.895 2.503 20 10 EFCDLP COc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000176979987 534013721 /nfs/dbraw/zinc/01/37/21/534013721.db2.gz ZCDMBZPFNGPVSO-UHFFFAOYSA-N 2 2 349.438 2.598 20 10 EFCDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756530289 575755819 /nfs/dbraw/zinc/75/58/19/575755819.db2.gz WZDVOPBIZBQWHJ-LBPRGKRZSA-N 2 2 328.403 2.822 20 10 EFCDLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756535860 575756582 /nfs/dbraw/zinc/75/65/82/575756582.db2.gz RXTYBHPAACSUHG-UONOGXRCSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc(F)c1O ZINC000756572620 575764460 /nfs/dbraw/zinc/76/44/60/575764460.db2.gz HBQMCAKXOWSHRI-SWLSCSKDSA-N 2 2 340.414 2.964 20 10 EFCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789409 576331467 /nfs/dbraw/zinc/33/14/67/576331467.db2.gz UVGGYPFJCMFFMD-BEFAXECRSA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762789409 576331469 /nfs/dbraw/zinc/33/14/69/576331469.db2.gz UVGGYPFJCMFFMD-BEFAXECRSA-N 2 2 335.467 2.533 20 10 EFCDLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781180 577076243 /nfs/dbraw/zinc/07/62/43/577076243.db2.gz OBJWXSGJWFTIEF-GDBMZVCRSA-N 2 2 333.451 2.550 20 10 EFCDLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781180 577076246 /nfs/dbraw/zinc/07/62/46/577076246.db2.gz OBJWXSGJWFTIEF-GDBMZVCRSA-N 2 2 333.451 2.550 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587470 577169263 /nfs/dbraw/zinc/16/92/63/577169263.db2.gz ZOVLJKSRZXNWIU-ZRGWGRIASA-N 2 2 347.478 2.796 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587470 577169267 /nfs/dbraw/zinc/16/92/67/577169267.db2.gz ZOVLJKSRZXNWIU-ZRGWGRIASA-N 2 2 347.478 2.796 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769523411 577369939 /nfs/dbraw/zinc/36/99/39/577369939.db2.gz AAVOZXCYMOWYIG-PBHICJAKSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769523411 577369940 /nfs/dbraw/zinc/36/99/40/577369940.db2.gz AAVOZXCYMOWYIG-PBHICJAKSA-N 2 2 337.895 2.503 20 10 EFCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904806 581503738 /nfs/dbraw/zinc/50/37/38/581503738.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904806 581503739 /nfs/dbraw/zinc/50/37/39/581503739.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904806 581503740 /nfs/dbraw/zinc/50/37/40/581503740.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904806 581503741 /nfs/dbraw/zinc/50/37/41/581503741.db2.gz XBQFSKBCQSQLIW-GXTWGEPZSA-N 2 2 337.420 2.614 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843126342 1260705682 /nfs/dbraw/zinc/70/56/82/1260705682.db2.gz JMNBBPBKGSZXBU-CZUORRHYSA-N 2 2 327.394 2.955 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000843126342 1260705685 /nfs/dbraw/zinc/70/56/85/1260705685.db2.gz JMNBBPBKGSZXBU-CZUORRHYSA-N 2 2 327.394 2.955 20 10 EFCDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001169111283 1272703217 /nfs/dbraw/zinc/70/32/17/1272703217.db2.gz OLGQAXAMZDBQSP-BTTYYORXSA-N 2 2 325.250 2.870 20 10 EFCDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001169111283 1272703222 /nfs/dbraw/zinc/70/32/22/1272703222.db2.gz OLGQAXAMZDBQSP-BTTYYORXSA-N 2 2 325.250 2.870 20 10 EFCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170603 1275374463 /nfs/dbraw/zinc/37/44/63/1275374463.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170603 1275374469 /nfs/dbraw/zinc/37/44/69/1275374469.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170603 1275374475 /nfs/dbraw/zinc/37/44/75/1275374475.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170603 1275374482 /nfs/dbraw/zinc/37/44/82/1275374482.db2.gz BCRKZAHYMYBHFL-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888166 1276347050 /nfs/dbraw/zinc/34/70/50/1276347050.db2.gz JDYCIMBZOOKJDQ-JTOWHCCKSA-N 2 2 335.467 2.669 20 10 EFCDLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817902407 1276366991 /nfs/dbraw/zinc/36/69/91/1276366991.db2.gz PWNWWOQWNVEKOG-OALUTQOASA-N 3 2 348.510 2.588 20 10 EFCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901567 1276367421 /nfs/dbraw/zinc/36/74/21/1276367421.db2.gz WZSUNNCWLCZOOK-JKIFEVAISA-N 2 2 339.430 2.844 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938263 1276386152 /nfs/dbraw/zinc/38/61/52/1276386152.db2.gz HOBYRRNONOXFCQ-RDTXWAMCSA-N 2 2 341.455 2.874 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938260 1276386335 /nfs/dbraw/zinc/38/63/35/1276386335.db2.gz HOBYRRNONOXFCQ-KBXCAEBGSA-N 2 2 341.455 2.874 20 10 EFCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817941549 1276387503 /nfs/dbraw/zinc/38/75/03/1276387503.db2.gz KNALQTXBPLNLEI-ACJLOTCBSA-N 2 2 329.444 2.817 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817945429 1276390768 /nfs/dbraw/zinc/39/07/68/1276390768.db2.gz COFFUTZGYWUYRF-ZJUUUORDSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(N(C)C)cc1 ZINC000817947537 1276390872 /nfs/dbraw/zinc/39/08/72/1276390872.db2.gz AFBWKDKZHZKITI-HNNXBMFYSA-N 2 2 325.460 2.730 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817945995 1276390891 /nfs/dbraw/zinc/39/08/91/1276390891.db2.gz PMUHYXYVBJGXMC-VHSXEESVSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944152 1276390926 /nfs/dbraw/zinc/39/09/26/1276390926.db2.gz XTPXEZXUBKYMRJ-SJKOYZFVSA-N 2 2 343.431 2.594 20 10 EFCDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(N(C)C)cc1 ZINC000817947538 1276390945 /nfs/dbraw/zinc/39/09/45/1276390945.db2.gz AFBWKDKZHZKITI-OAHLLOKOSA-N 2 2 325.460 2.730 20 10 EFCDLP C[C@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2c1c(F)ccc2O ZINC000817951831 1276395825 /nfs/dbraw/zinc/39/58/25/1276395825.db2.gz HMMTYKWVIAXQDO-SWLSCSKDSA-N 2 2 342.418 2.996 20 10 EFCDLP Cc1cc(C)c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(O)c1 ZINC000817952121 1276396014 /nfs/dbraw/zinc/39/60/14/1276396014.db2.gz HUDPWGWHYJPVOE-HNNXBMFYSA-N 2 2 326.444 2.987 20 10 EFCDLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCC[NH2+]1 ZINC000817975525 1276416219 /nfs/dbraw/zinc/41/62/19/1276416219.db2.gz WBQMGOLWKHILMZ-ABAIWWIYSA-N 2 2 332.366 2.830 20 10 EFCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000817983056 1276421809 /nfs/dbraw/zinc/42/18/09/1276421809.db2.gz JTDQRJCTFJUWBA-HKUYNNGSSA-N 2 2 326.440 2.644 20 10 EFCDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC000815034791 1287278911 /nfs/dbraw/zinc/27/89/11/1287278911.db2.gz BVXPKIOGAJHDDE-UHFFFAOYSA-N 2 2 340.471 2.787 20 10 EFCDLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901888 1279325159 /nfs/dbraw/zinc/32/51/59/1279325159.db2.gz IELBGFCHKBORAF-DJSGYFEHSA-N 2 2 342.842 2.903 20 10 EFCDLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC000844901888 1279325169 /nfs/dbraw/zinc/32/51/69/1279325169.db2.gz IELBGFCHKBORAF-DJSGYFEHSA-N 2 2 342.842 2.903 20 10 EFCDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703144 1280432822 /nfs/dbraw/zinc/43/28/22/1280432822.db2.gz LSDQJPBHVHYRQI-GDBMZVCRSA-N 2 2 332.448 2.897 20 10 EFCDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846703144 1280432831 /nfs/dbraw/zinc/43/28/31/1280432831.db2.gz LSDQJPBHVHYRQI-GDBMZVCRSA-N 2 2 332.448 2.897 20 10 EFCDLP COc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1C ZINC001131560346 1282033565 /nfs/dbraw/zinc/03/35/65/1282033565.db2.gz JNNFROXBHWUCPO-UHFFFAOYSA-N 2 2 341.455 2.843 20 10 EFCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1O ZINC001170792421 1287601744 /nfs/dbraw/zinc/60/17/44/1287601744.db2.gz MWXXDZHXBFXDJI-JSNMRZPZSA-N 2 2 342.439 2.998 20 10 EFCDLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000815573659 1287631096 /nfs/dbraw/zinc/63/10/96/1287631096.db2.gz PUDIJCUBIUCXGF-DLBZAZTESA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000815573659 1287631104 /nfs/dbraw/zinc/63/11/04/1287631104.db2.gz PUDIJCUBIUCXGF-DLBZAZTESA-N 2 2 347.503 2.602 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000715779455 1284330131 /nfs/dbraw/zinc/33/01/31/1284330131.db2.gz PFJZZKZVJHVHTP-SNVBAGLBSA-N 2 2 343.240 2.868 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000715779455 1284330139 /nfs/dbraw/zinc/33/01/39/1284330139.db2.gz PFJZZKZVJHVHTP-SNVBAGLBSA-N 2 2 343.240 2.868 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3F)cc2F)CC1 ZINC000823801691 1289462615 /nfs/dbraw/zinc/46/26/15/1289462615.db2.gz NLVGPOSSQMSDDJ-UHFFFAOYSA-N 2 2 346.425 2.792 20 10 EFCDLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Cn1cccn1 ZINC000873024862 1289527102 /nfs/dbraw/zinc/52/71/02/1289527102.db2.gz CPLWTDKOJFWCCX-MRXNPFEDSA-N 2 2 339.443 2.562 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CS[C@H](C)C3)CC2)cc1 ZINC000876900808 1291065191 /nfs/dbraw/zinc/06/51/91/1291065191.db2.gz RJNCFUCXCPQKBZ-IAGOWNOFSA-N 2 2 349.544 2.691 20 10 EFCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233453568 1312935479 /nfs/dbraw/zinc/93/54/79/1312935479.db2.gz LMBJZSYVBDRJGA-XJKSGUPXSA-N 2 2 344.377 2.564 20 10 EFCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233453568 1312935482 /nfs/dbraw/zinc/93/54/82/1312935482.db2.gz LMBJZSYVBDRJGA-XJKSGUPXSA-N 2 2 344.377 2.564 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233453568 1312935484 /nfs/dbraw/zinc/93/54/84/1312935484.db2.gz LMBJZSYVBDRJGA-XJKSGUPXSA-N 2 2 344.377 2.564 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]2C1 ZINC001233453568 1312935487 /nfs/dbraw/zinc/93/54/87/1312935487.db2.gz LMBJZSYVBDRJGA-XJKSGUPXSA-N 2 2 344.377 2.564 20 10 EFCDLP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882904121 1293378576 /nfs/dbraw/zinc/37/85/76/1293378576.db2.gz QXDIGYDEWNLEPE-UHFFFAOYSA-N 2 2 342.212 2.979 20 10 EFCDLP COC1CC[NH+](C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC001203937534 1313052018 /nfs/dbraw/zinc/05/20/18/1313052018.db2.gz VBCYWXPPNADEJG-UHFFFAOYSA-N 2 2 331.504 2.828 20 10 EFCDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1 ZINC001276360543 1295350801 /nfs/dbraw/zinc/35/08/01/1295350801.db2.gz VBLYFWVUYFLKSD-UHFFFAOYSA-N 2 2 349.494 2.771 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c2ccccc21 ZINC001235114425 1313244496 /nfs/dbraw/zinc/24/44/96/1313244496.db2.gz LQTJCJWOXOPFSD-OAQYLSRUSA-N 2 2 339.483 2.860 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c2ccccc21 ZINC001235114425 1313244499 /nfs/dbraw/zinc/24/44/99/1313244499.db2.gz LQTJCJWOXOPFSD-OAQYLSRUSA-N 2 2 339.483 2.860 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1C ZINC001235265655 1313278797 /nfs/dbraw/zinc/27/87/97/1313278797.db2.gz CWSRXYWJAOGYFK-YOEHRIQHSA-N 2 2 341.455 2.539 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1C ZINC001235265655 1313278800 /nfs/dbraw/zinc/27/88/00/1313278800.db2.gz CWSRXYWJAOGYFK-YOEHRIQHSA-N 2 2 341.455 2.539 20 10 EFCDLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)cc1Br ZINC001205796941 1313357328 /nfs/dbraw/zinc/35/73/28/1313357328.db2.gz VLJMMUDWIKGLQF-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)cc1Br ZINC001205796941 1313357332 /nfs/dbraw/zinc/35/73/32/1313357332.db2.gz VLJMMUDWIKGLQF-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Br ZINC001205797077 1313357375 /nfs/dbraw/zinc/35/73/75/1313357375.db2.gz YQZYZISWWFSSPB-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(O)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Br ZINC001205797077 1313357379 /nfs/dbraw/zinc/35/73/79/1313357379.db2.gz YQZYZISWWFSSPB-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304525 1313433069 /nfs/dbraw/zinc/43/30/69/1313433069.db2.gz MCMUGXSUCPGJIN-LJQANCHMSA-N 2 2 330.428 2.758 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304525 1313433070 /nfs/dbraw/zinc/43/30/70/1313433070.db2.gz MCMUGXSUCPGJIN-LJQANCHMSA-N 2 2 330.428 2.758 20 10 EFCDLP CCC[N@H+](Cc1cc(Br)c(OC)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236322763 1313469484 /nfs/dbraw/zinc/46/94/84/1313469484.db2.gz AHJHKENFMJEOCK-GFCCVEGCSA-N 2 2 343.265 2.737 20 10 EFCDLP CCC[N@@H+](Cc1cc(Br)c(OC)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236322763 1313469486 /nfs/dbraw/zinc/46/94/86/1313469486.db2.gz AHJHKENFMJEOCK-GFCCVEGCSA-N 2 2 343.265 2.737 20 10 EFCDLP CCN(CC)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903972005 1313519373 /nfs/dbraw/zinc/51/93/73/1313519373.db2.gz FPUDYZFKVAHNMV-KRWDZBQOSA-N 2 2 349.494 2.920 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786439 1313528590 /nfs/dbraw/zinc/52/85/90/1313528590.db2.gz PAHNUTWXCKZBMJ-PMACEKPBSA-N 2 2 337.467 2.913 20 10 EFCDLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(O)c1Cl ZINC001236805565 1313532076 /nfs/dbraw/zinc/53/20/76/1313532076.db2.gz IASGLCGDCHWTNU-UHFFFAOYSA-N 2 2 333.819 2.771 20 10 EFCDLP COCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236948247 1313559487 /nfs/dbraw/zinc/55/94/87/1313559487.db2.gz RFZQLJGJPYMLFX-HXUWFJFHSA-N 2 2 331.504 2.877 20 10 EFCDLP COCCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236948247 1313559491 /nfs/dbraw/zinc/55/94/91/1313559491.db2.gz RFZQLJGJPYMLFX-HXUWFJFHSA-N 2 2 331.504 2.877 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]2C1 ZINC001236930785 1313555829 /nfs/dbraw/zinc/55/58/29/1313555829.db2.gz NZTPLGLFNOGXAQ-IAGOWNOFSA-N 2 2 349.906 2.560 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4cnccc4C3)c(F)c2)CC1 ZINC001236931884 1313555927 /nfs/dbraw/zinc/55/59/27/1313555927.db2.gz MPHXYVQMNBGICV-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cnccc4C3)c(F)c2)CC1 ZINC001236931884 1313555931 /nfs/dbraw/zinc/55/59/31/1313555931.db2.gz MPHXYVQMNBGICV-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP C[N@H+](Cc1cncs1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236944072 1313558405 /nfs/dbraw/zinc/55/84/05/1313558405.db2.gz ZDVZJMGOPGKJBE-UHFFFAOYSA-N 2 2 334.464 2.666 20 10 EFCDLP C[N@@H+](Cc1cncs1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236944072 1313558408 /nfs/dbraw/zinc/55/84/08/1313558408.db2.gz ZDVZJMGOPGKJBE-UHFFFAOYSA-N 2 2 334.464 2.666 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)c(O)c1 ZINC001237043434 1313574004 /nfs/dbraw/zinc/57/40/04/1313574004.db2.gz OCUAJMLTRUZXEN-GOSISDBHSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c(O)c1 ZINC001237043434 1313574007 /nfs/dbraw/zinc/57/40/07/1313574007.db2.gz OCUAJMLTRUZXEN-GOSISDBHSA-N 2 2 348.487 2.866 20 10 EFCDLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c(O)c1 ZINC001276365533 1299011928 /nfs/dbraw/zinc/01/19/28/1299011928.db2.gz PSHCBGVSELVZKN-OALUTQOASA-N 2 2 340.471 2.554 20 10 EFCDLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c(O)c1 ZINC001276365533 1299011931 /nfs/dbraw/zinc/01/19/31/1299011931.db2.gz PSHCBGVSELVZKN-OALUTQOASA-N 2 2 340.471 2.554 20 10 EFCDLP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c(O)c1 ZINC001276365613 1299022618 /nfs/dbraw/zinc/02/26/18/1299022618.db2.gz SOUJXHHLWCDNSG-HDICACEKSA-N 2 2 340.471 2.554 20 10 EFCDLP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c(O)c1 ZINC001276365613 1299022629 /nfs/dbraw/zinc/02/26/29/1299022629.db2.gz SOUJXHHLWCDNSG-HDICACEKSA-N 2 2 340.471 2.554 20 10 EFCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383892 1313633228 /nfs/dbraw/zinc/63/32/28/1313633228.db2.gz SFICNZOMYUGDNK-BXUZGUMPSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383892 1313633231 /nfs/dbraw/zinc/63/32/31/1313633231.db2.gz SFICNZOMYUGDNK-BXUZGUMPSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237394864 1313635857 /nfs/dbraw/zinc/63/58/57/1313635857.db2.gz WPKLPUMZYRUORA-FZMZJTMJSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237394864 1313635860 /nfs/dbraw/zinc/63/58/60/1313635860.db2.gz WPKLPUMZYRUORA-FZMZJTMJSA-N 2 2 325.250 2.729 20 10 EFCDLP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c(OC)c1 ZINC001237685896 1313691340 /nfs/dbraw/zinc/69/13/40/1313691340.db2.gz VNJXJRMMCRMMTD-UHFFFAOYSA-N 2 2 334.460 2.860 20 10 EFCDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1c(O)cccc1Br ZINC000862369487 1302350928 /nfs/dbraw/zinc/35/09/28/1302350928.db2.gz USYXRJHYFZTKFK-FZMZJTMJSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369488 1302350825 /nfs/dbraw/zinc/35/08/25/1302350825.db2.gz USYXRJHYFZTKFK-RISCZKNCSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369488 1302350839 /nfs/dbraw/zinc/35/08/39/1302350839.db2.gz USYXRJHYFZTKFK-RISCZKNCSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1c(O)cccc1Br ZINC000862369488 1302350850 /nfs/dbraw/zinc/35/08/50/1302350850.db2.gz USYXRJHYFZTKFK-RISCZKNCSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1c(O)cccc1Br ZINC000862369488 1302350862 /nfs/dbraw/zinc/35/08/62/1302350862.db2.gz USYXRJHYFZTKFK-RISCZKNCSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369487 1302350889 /nfs/dbraw/zinc/35/08/89/1302350889.db2.gz USYXRJHYFZTKFK-FZMZJTMJSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369487 1302350902 /nfs/dbraw/zinc/35/09/02/1302350902.db2.gz USYXRJHYFZTKFK-FZMZJTMJSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1c(O)cccc1Br ZINC000862369487 1302350914 /nfs/dbraw/zinc/35/09/14/1302350914.db2.gz USYXRJHYFZTKFK-FZMZJTMJSA-N 2 2 327.266 2.927 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000863646508 1302667589 /nfs/dbraw/zinc/66/75/89/1302667589.db2.gz LHNWDDRMQQAQCA-CHWSQXEVSA-N 2 2 333.373 2.851 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000863646508 1302667603 /nfs/dbraw/zinc/66/76/03/1302667603.db2.gz LHNWDDRMQQAQCA-CHWSQXEVSA-N 2 2 333.373 2.851 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276826841 1311070164 /nfs/dbraw/zinc/07/01/64/1311070164.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 2 2 342.439 2.725 20 10 EFCDLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(O)cc1O ZINC001231639689 1312538100 /nfs/dbraw/zinc/53/81/00/1312538100.db2.gz ZKKKCVYHDOKJHS-UHFFFAOYSA-N 2 2 339.395 2.924 20 10 EFCDLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(O)cc1O ZINC001231639689 1312538102 /nfs/dbraw/zinc/53/81/02/1312538102.db2.gz ZKKKCVYHDOKJHS-UHFFFAOYSA-N 2 2 339.395 2.924 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232201265 1312648305 /nfs/dbraw/zinc/64/83/05/1312648305.db2.gz ITTMLQKYLFQLOJ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232201265 1312648309 /nfs/dbraw/zinc/64/83/09/1312648309.db2.gz ITTMLQKYLFQLOJ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232201265 1312648312 /nfs/dbraw/zinc/64/83/12/1312648312.db2.gz ITTMLQKYLFQLOJ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232201265 1312648316 /nfs/dbraw/zinc/64/83/16/1312648316.db2.gz ITTMLQKYLFQLOJ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[C@]1(C)COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255199721 1315791053 /nfs/dbraw/zinc/79/10/53/1315791053.db2.gz PVZLLEFHMHRDIK-LJQANCHMSA-N 2 2 335.467 2.578 20 10 EFCDLP CC[C@]1(C)COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255199721 1315791054 /nfs/dbraw/zinc/79/10/54/1315791054.db2.gz PVZLLEFHMHRDIK-LJQANCHMSA-N 2 2 335.467 2.578 20 10 EFCDLP CCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001258769716 1316176049 /nfs/dbraw/zinc/17/60/49/1316176049.db2.gz DIIGYVJDSFTTSQ-UHFFFAOYSA-N 3 2 331.504 2.821 20 10 EFCDLP C[C@@H]1[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1(C)C ZINC001323324496 1329534881 /nfs/dbraw/zinc/53/48/81/1329534881.db2.gz WDUWJDLKEUFRLH-HNNXBMFYSA-N 2 2 335.467 2.577 20 10 EFCDLP C[C@@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1(C)C ZINC001323324496 1329534883 /nfs/dbraw/zinc/53/48/83/1329534883.db2.gz WDUWJDLKEUFRLH-HNNXBMFYSA-N 2 2 335.467 2.577 20 10 EFCDLP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324438704 1329627547 /nfs/dbraw/zinc/62/75/47/1329627547.db2.gz OMNMRPYWPRLEQJ-OAHLLOKOSA-N 2 2 345.466 2.645 20 10 EFCDLP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2F)CC1 ZINC001333306570 1331112476 /nfs/dbraw/zinc/11/24/76/1331112476.db2.gz DQUQHKAGUNXVPH-QGZVFWFLSA-N 2 2 348.510 2.540 20 10 EFCDLP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523432 1332265415 /nfs/dbraw/zinc/26/54/15/1332265415.db2.gz BFKPFFHVWVDNSB-RDJZCZTQSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523432 1332265420 /nfs/dbraw/zinc/26/54/20/1332265420.db2.gz BFKPFFHVWVDNSB-RDJZCZTQSA-N 2 2 335.467 2.577 20 10 EFCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000179631777 717815930 /nfs/dbraw/zinc/81/59/30/717815930.db2.gz RYCVEPYKRWUHJT-LLVKDONJSA-N 2 2 343.265 2.547 20 10 EFCDLP COc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000179631777 717815933 /nfs/dbraw/zinc/81/59/33/717815933.db2.gz RYCVEPYKRWUHJT-LLVKDONJSA-N 2 2 343.265 2.547 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000237273886 723570455 /nfs/dbraw/zinc/57/04/55/723570455.db2.gz ZHJBMUKSXGGLBV-ZWKOTPCHSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1cc(C)cc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1O ZINC001579145844 1090525910 /nfs/dbraw/zinc/52/59/10/1090525910.db2.gz XTYKMZHWDWRPKA-DLBZAZTESA-N 2 2 330.403 2.775 20 10 EFCDLP COc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1O ZINC001579145844 1090525914 /nfs/dbraw/zinc/52/59/14/1090525914.db2.gz XTYKMZHWDWRPKA-DLBZAZTESA-N 2 2 330.403 2.775 20 10 EFCDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001205018603 1101704137 /nfs/dbraw/zinc/70/41/37/1101704137.db2.gz VNNMNTHVRGEDJD-LBPRGKRZSA-N 2 2 327.266 2.895 20 10 EFCDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001205018603 1101704144 /nfs/dbraw/zinc/70/41/44/1101704144.db2.gz VNNMNTHVRGEDJD-LBPRGKRZSA-N 2 2 327.266 2.895 20 10 EFCDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001205018602 1101705040 /nfs/dbraw/zinc/70/50/40/1101705040.db2.gz VNNMNTHVRGEDJD-GFCCVEGCSA-N 2 2 327.266 2.895 20 10 EFCDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Br)c(C)cc2O)C1 ZINC001205018602 1101705049 /nfs/dbraw/zinc/70/50/49/1101705049.db2.gz VNNMNTHVRGEDJD-GFCCVEGCSA-N 2 2 327.266 2.895 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1F ZINC000161504086 239071340 /nfs/dbraw/zinc/07/13/40/239071340.db2.gz GHSNIGUSLUDCIA-UHFFFAOYSA-N 2 2 335.467 2.832 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715357 242305401 /nfs/dbraw/zinc/30/54/01/242305401.db2.gz DFABYKLSQIJDIK-DJSGYFEHSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715357 242305410 /nfs/dbraw/zinc/30/54/10/242305410.db2.gz DFABYKLSQIJDIK-DJSGYFEHSA-N 2 2 342.842 2.868 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000186126942 296115057 /nfs/dbraw/zinc/11/50/57/296115057.db2.gz KERDXXXBYMGVTB-BVGQSLNGSA-N 2 2 336.451 2.950 20 10 EFCDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187691883 292350355 /nfs/dbraw/zinc/35/03/55/292350355.db2.gz IHVUGYDLQOOBDB-LBPRGKRZSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1O ZINC000187726575 287013617 /nfs/dbraw/zinc/01/36/17/287013617.db2.gz JFCASLRJTNCXJC-OLZOCXBDSA-N 2 2 340.414 2.822 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1O ZINC000184968498 473287548 /nfs/dbraw/zinc/28/75/48/473287548.db2.gz NFHNPIGTGQOORR-CQSZACIVSA-N 2 2 344.434 2.529 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992444 473294924 /nfs/dbraw/zinc/29/49/24/473294924.db2.gz HBVGQGUEKZVTIW-KBXCAEBGSA-N 2 2 344.430 2.601 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992444 473294931 /nfs/dbraw/zinc/29/49/31/473294931.db2.gz HBVGQGUEKZVTIW-KBXCAEBGSA-N 2 2 344.430 2.601 20 10 EFCDLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185008904 473299337 /nfs/dbraw/zinc/29/93/37/473299337.db2.gz QNVICFWLGQLYFG-LBPRGKRZSA-N 2 2 345.281 2.774 20 10 EFCDLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185008904 473299346 /nfs/dbraw/zinc/29/93/46/473299346.db2.gz QNVICFWLGQLYFG-LBPRGKRZSA-N 2 2 345.281 2.774 20 10 EFCDLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185008923 473300569 /nfs/dbraw/zinc/30/05/69/473300569.db2.gz QNVICFWLGQLYFG-GFCCVEGCSA-N 2 2 345.281 2.774 20 10 EFCDLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185008923 473300576 /nfs/dbraw/zinc/30/05/76/473300576.db2.gz QNVICFWLGQLYFG-GFCCVEGCSA-N 2 2 345.281 2.774 20 10 EFCDLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185165816 473349680 /nfs/dbraw/zinc/34/96/80/473349680.db2.gz WIRZVELEXRRZPV-CQSZACIVSA-N 2 2 344.434 2.529 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000136578989 473164349 /nfs/dbraw/zinc/16/43/49/473164349.db2.gz MJXWVFQMCREFFF-WMZOPIPTSA-N 2 2 338.879 2.903 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000136579080 473165678 /nfs/dbraw/zinc/16/56/78/473165678.db2.gz MJXWVFQMCREFFF-FUHWJXTLSA-N 2 2 338.879 2.903 20 10 EFCDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151121543 473411563 /nfs/dbraw/zinc/41/15/63/473411563.db2.gz JHACIIZADCPNCI-HNNXBMFYSA-N 2 2 332.423 2.600 20 10 EFCDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151121586 473411597 /nfs/dbraw/zinc/41/15/97/473411597.db2.gz JHACIIZADCPNCI-OAHLLOKOSA-N 2 2 332.423 2.600 20 10 EFCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185392988 473414650 /nfs/dbraw/zinc/41/46/50/473414650.db2.gz ROIRXGGENSJVOH-NEPJUHHUSA-N 2 2 346.302 2.986 20 10 EFCDLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192618894 473696912 /nfs/dbraw/zinc/69/69/12/473696912.db2.gz MISARNPRMYGUJK-LBPRGKRZSA-N 2 2 346.302 2.987 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2[nH+]ccn21 ZINC000179616994 473698369 /nfs/dbraw/zinc/69/83/69/473698369.db2.gz ACWDVWBTEPXZEX-UHFFFAOYSA-N 2 2 336.439 2.803 20 10 EFCDLP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287696005 473736569 /nfs/dbraw/zinc/73/65/69/473736569.db2.gz NKSJAUMKCLWOKQ-INIZCTEOSA-N 2 2 325.884 2.724 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC3(SC)CC3)CC2)cc1 ZINC000289289075 474211455 /nfs/dbraw/zinc/21/14/55/474211455.db2.gz PLGFXTWKWHFKAI-UHFFFAOYSA-N 2 2 349.544 2.693 20 10 EFCDLP COc1c(C)c[nH+]c(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000183785407 474429007 /nfs/dbraw/zinc/42/90/07/474429007.db2.gz GEQUEANAZBDZKG-UHFFFAOYSA-N 2 2 330.384 2.773 20 10 EFCDLP COc1c(C)c[nH+]c(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c1C ZINC000183785407 474429012 /nfs/dbraw/zinc/42/90/12/474429012.db2.gz GEQUEANAZBDZKG-UHFFFAOYSA-N 2 2 330.384 2.773 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1O ZINC000276992147 474576173 /nfs/dbraw/zinc/57/61/73/474576173.db2.gz XPBVQMOLQJFDAU-XZJROXQQSA-N 2 2 340.414 2.699 20 10 EFCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184730785 474596626 /nfs/dbraw/zinc/59/66/26/474596626.db2.gz KOAIGJIPJFBSRR-OAHLLOKOSA-N 2 2 329.444 2.979 20 10 EFCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000184730785 474596631 /nfs/dbraw/zinc/59/66/31/474596631.db2.gz KOAIGJIPJFBSRR-OAHLLOKOSA-N 2 2 329.444 2.979 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000278244747 474604249 /nfs/dbraw/zinc/60/42/49/474604249.db2.gz LUNIBVPHMIQTDJ-GHMZBOCLSA-N 2 2 333.259 2.806 20 10 EFCDLP COc1c(O)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278246851 474604639 /nfs/dbraw/zinc/60/46/39/474604639.db2.gz OPHPVSLATAFAEE-UHFFFAOYSA-N 2 2 337.420 2.614 20 10 EFCDLP COc1c(O)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278246851 474604650 /nfs/dbraw/zinc/60/46/50/474604650.db2.gz OPHPVSLATAFAEE-UHFFFAOYSA-N 2 2 337.420 2.614 20 10 EFCDLP COc1c(O)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309685 474606921 /nfs/dbraw/zinc/60/69/21/474606921.db2.gz DUWHXEDXYARIQN-ZDUSSCGKSA-N 2 2 337.420 2.663 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644126 474752039 /nfs/dbraw/zinc/75/20/39/474752039.db2.gz HSRSZGGSFNISMY-GHMZBOCLSA-N 2 2 332.275 2.595 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644126 474752042 /nfs/dbraw/zinc/75/20/42/474752042.db2.gz HSRSZGGSFNISMY-GHMZBOCLSA-N 2 2 332.275 2.595 20 10 EFCDLP COc1c(O)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278926314 474920075 /nfs/dbraw/zinc/92/00/75/474920075.db2.gz VOMYBBNXOAMGRM-ZDUSSCGKSA-N 2 2 337.420 2.521 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000273584549 474975140 /nfs/dbraw/zinc/97/51/40/474975140.db2.gz NNBPZQNWSKANKE-ZDUSSCGKSA-N 2 2 331.416 2.815 20 10 EFCDLP CN(C)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000279552119 474979614 /nfs/dbraw/zinc/97/96/14/474979614.db2.gz BFTIDMQPWDYQEE-UHFFFAOYSA-N 2 2 345.409 2.583 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961080 475098161 /nfs/dbraw/zinc/09/81/61/475098161.db2.gz XISOEQYIGBDJJJ-AEFFLSMTSA-N 2 2 348.510 2.712 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961080 475098175 /nfs/dbraw/zinc/09/81/75/475098175.db2.gz XISOEQYIGBDJJJ-AEFFLSMTSA-N 2 2 348.510 2.712 20 10 EFCDLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3O)[nH+]c2)CC1 ZINC000269105838 475173670 /nfs/dbraw/zinc/17/36/70/475173670.db2.gz AOGRUGODDGYBLX-UHFFFAOYSA-N 2 2 326.444 2.930 20 10 EFCDLP Oc1c(Cl)cccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000374990312 476625033 /nfs/dbraw/zinc/62/50/33/476625033.db2.gz MDXFDGWXJUPXAI-UHFFFAOYSA-N 2 2 338.879 2.980 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1O ZINC000756764897 575785225 /nfs/dbraw/zinc/78/52/25/575785225.db2.gz LPVXDEVVJXZAKB-GOPGUHFVSA-N 2 2 340.414 2.699 20 10 EFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647149 576321037 /nfs/dbraw/zinc/32/10/37/576321037.db2.gz DPVROGFUQMUXLV-STQMWFEESA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647149 576321038 /nfs/dbraw/zinc/32/10/38/576321038.db2.gz DPVROGFUQMUXLV-STQMWFEESA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781182 577076260 /nfs/dbraw/zinc/07/62/60/577076260.db2.gz OBJWXSGJWFTIEF-GOEBONIOSA-N 2 2 333.451 2.550 20 10 EFCDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781182 577076263 /nfs/dbraw/zinc/07/62/63/577076263.db2.gz OBJWXSGJWFTIEF-GOEBONIOSA-N 2 2 333.451 2.550 20 10 EFCDLP Oc1cc2c(cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)OCO2 ZINC000725845065 577246262 /nfs/dbraw/zinc/24/62/62/577246262.db2.gz IBAYZMJEXXRUEG-UHFFFAOYSA-N 2 2 337.379 2.656 20 10 EFCDLP CCOc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c(O)c1 ZINC000768891798 577314601 /nfs/dbraw/zinc/31/46/01/577314601.db2.gz XSPAOYMRBVMUFO-UHFFFAOYSA-N 2 2 327.428 2.817 20 10 EFCDLP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769523440 577370020 /nfs/dbraw/zinc/37/00/20/577370020.db2.gz AAVOZXCYMOWYIG-YOEHRIQHSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769523440 577370021 /nfs/dbraw/zinc/37/00/21/577370021.db2.gz AAVOZXCYMOWYIG-YOEHRIQHSA-N 2 2 337.895 2.503 20 10 EFCDLP CCN(C)c1ccc(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000773785580 581464487 /nfs/dbraw/zinc/46/44/87/581464487.db2.gz MHPLEARAFKUSJX-OAHLLOKOSA-N 2 2 332.517 2.752 20 10 EFCDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557756 1250535430 /nfs/dbraw/zinc/53/54/30/1250535430.db2.gz SDWBYCLMQHGQTN-XPKDYRNWSA-N 2 2 334.435 2.923 20 10 EFCDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557750 1250535687 /nfs/dbraw/zinc/53/56/87/1250535687.db2.gz SDWBYCLMQHGQTN-IVMMDQJWSA-N 2 2 334.435 2.923 20 10 EFCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566418 1271493590 /nfs/dbraw/zinc/49/35/90/1271493590.db2.gz HJXVCYRPHNXLIY-QRWLVFNGSA-N 2 2 344.430 2.819 20 10 EFCDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566418 1271493605 /nfs/dbraw/zinc/49/36/05/1271493605.db2.gz HJXVCYRPHNXLIY-QRWLVFNGSA-N 2 2 344.430 2.819 20 10 EFCDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001169111284 1272702824 /nfs/dbraw/zinc/70/28/24/1272702824.db2.gz OLGQAXAMZDBQSP-ZSOGYDGISA-N 2 2 325.250 2.870 20 10 EFCDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1O)C2 ZINC001169111284 1272702832 /nfs/dbraw/zinc/70/28/32/1272702832.db2.gz OLGQAXAMZDBQSP-ZSOGYDGISA-N 2 2 325.250 2.870 20 10 EFCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902163 1276366912 /nfs/dbraw/zinc/36/69/12/1276366912.db2.gz JPVQCPXGOIZVTL-IEBWSBKVSA-N 2 2 331.504 2.780 20 10 EFCDLP CC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000817902796 1276366936 /nfs/dbraw/zinc/36/69/36/1276366936.db2.gz YGGCKHFSJIXVML-LEWJYISDSA-N 2 2 343.515 2.780 20 10 EFCDLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000817940327 1276386384 /nfs/dbraw/zinc/38/63/84/1276386384.db2.gz GBBQOKSYEXIJOD-DYVFJYSZSA-N 2 2 329.444 2.817 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817945427 1276390660 /nfs/dbraw/zinc/39/06/60/1276390660.db2.gz COFFUTZGYWUYRF-UWVGGRQHSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2c1c(F)ccc2O ZINC000817951825 1276396495 /nfs/dbraw/zinc/39/64/95/1276396495.db2.gz HMMTYKWVIAXQDO-DOMZBBRYSA-N 2 2 342.418 2.996 20 10 EFCDLP C[C@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2c1c(F)ccc2O ZINC000817951835 1276396584 /nfs/dbraw/zinc/39/65/84/1276396584.db2.gz HMMTYKWVIAXQDO-WFASDCNBSA-N 2 2 342.418 2.996 20 10 EFCDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3O)CC1)C2 ZINC001172114747 1286025181 /nfs/dbraw/zinc/02/51/81/1286025181.db2.gz PPGVATDOTAPHBS-OWZKRDHZSA-N 3 2 343.515 2.962 20 10 EFCDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3O)CC1)C2 ZINC001172114747 1286025186 /nfs/dbraw/zinc/02/51/86/1286025186.db2.gz PPGVATDOTAPHBS-OWZKRDHZSA-N 3 2 343.515 2.962 20 10 EFCDLP Cc1cc(Br)cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230252 1289664442 /nfs/dbraw/zinc/66/44/42/1289664442.db2.gz OEJWXSJGSYSJAL-DZGCQCFKSA-N 2 2 325.250 2.837 20 10 EFCDLP Cc1cc(Br)cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230255 1289664802 /nfs/dbraw/zinc/66/48/02/1289664802.db2.gz OEJWXSJGSYSJAL-ZFWWWQNUSA-N 2 2 325.250 2.837 20 10 EFCDLP Cc1cc(Br)cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230254 1289666073 /nfs/dbraw/zinc/66/60/73/1289666073.db2.gz OEJWXSJGSYSJAL-UKRRQHHQSA-N 2 2 325.250 2.837 20 10 EFCDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825927290 1291103115 /nfs/dbraw/zinc/10/31/15/1291103115.db2.gz AZUMUJSIZRSKGT-LBPRGKRZSA-N 2 2 336.233 2.878 20 10 EFCDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825927290 1291103121 /nfs/dbraw/zinc/10/31/21/1291103121.db2.gz AZUMUJSIZRSKGT-LBPRGKRZSA-N 2 2 336.233 2.878 20 10 EFCDLP CCc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(C)[nH+]1 ZINC000882879970 1293365622 /nfs/dbraw/zinc/36/56/22/1293365622.db2.gz WGHNISQZOKFXGZ-UHFFFAOYSA-N 2 2 325.460 2.711 20 10 EFCDLP Cc1nc2[nH]ccc2c(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000882880271 1293366551 /nfs/dbraw/zinc/36/65/51/1293366551.db2.gz KVAQUTQMMKVTPY-UHFFFAOYSA-N 2 2 336.443 2.630 20 10 EFCDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000775635475 1293796160 /nfs/dbraw/zinc/79/61/60/1293796160.db2.gz ZLDQPABZQQLNNZ-UHFFFAOYSA-N 2 2 347.503 2.568 20 10 EFCDLP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877351 1313039096 /nfs/dbraw/zinc/03/90/96/1313039096.db2.gz DUVIRJIZKSNNHW-GASCZTMLSA-N 2 2 330.453 2.723 20 10 EFCDLP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877351 1313039100 /nfs/dbraw/zinc/03/91/00/1313039100.db2.gz DUVIRJIZKSNNHW-GASCZTMLSA-N 2 2 330.453 2.723 20 10 EFCDLP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877351 1313039104 /nfs/dbraw/zinc/03/91/04/1313039104.db2.gz DUVIRJIZKSNNHW-GASCZTMLSA-N 2 2 330.453 2.723 20 10 EFCDLP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877351 1313039108 /nfs/dbraw/zinc/03/91/08/1313039108.db2.gz DUVIRJIZKSNNHW-GASCZTMLSA-N 2 2 330.453 2.723 20 10 EFCDLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1c(O)cccc1F ZINC000886505107 1294996185 /nfs/dbraw/zinc/99/61/85/1294996185.db2.gz LHYWWMLATRHNIU-AWEZNQCLSA-N 2 2 344.434 2.529 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H](O)C2)c(O)c1 ZINC001204954668 1313214910 /nfs/dbraw/zinc/21/49/10/1313214910.db2.gz HUMBNLSZWOLNOI-HKUYNNGSSA-N 2 2 349.519 2.693 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H](O)C2)c(O)c1 ZINC001204954668 1313214913 /nfs/dbraw/zinc/21/49/13/1313214913.db2.gz HUMBNLSZWOLNOI-HKUYNNGSSA-N 2 2 349.519 2.693 20 10 EFCDLP COC(=O)c1c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998349 1313219584 /nfs/dbraw/zinc/21/95/84/1313219584.db2.gz HXUCVZAPKLZMFO-FQEVSTJZSA-N 2 2 341.455 2.540 20 10 EFCDLP COC(=O)c1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998349 1313219587 /nfs/dbraw/zinc/21/95/87/1313219587.db2.gz HXUCVZAPKLZMFO-FQEVSTJZSA-N 2 2 341.455 2.540 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001235167309 1313256061 /nfs/dbraw/zinc/25/60/61/1313256061.db2.gz HTBSZUBVSBNWEK-OAQYLSRUSA-N 3 2 342.531 2.547 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401073 1313312382 /nfs/dbraw/zinc/31/23/82/1313312382.db2.gz GIANMBDTSKOFGX-LSDHHAIUSA-N 2 2 332.341 2.935 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401073 1313312385 /nfs/dbraw/zinc/31/23/85/1313312385.db2.gz GIANMBDTSKOFGX-LSDHHAIUSA-N 2 2 332.341 2.935 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235401452 1313312805 /nfs/dbraw/zinc/31/28/05/1313312805.db2.gz GQPWDPAYSFWQNH-IRXDYDNUSA-N 2 2 325.859 2.930 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235401452 1313312807 /nfs/dbraw/zinc/31/28/07/1313312807.db2.gz GQPWDPAYSFWQNH-IRXDYDNUSA-N 2 2 325.859 2.930 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001205770771 1313353275 /nfs/dbraw/zinc/35/32/75/1313353275.db2.gz NYVJFOMKTQWAQK-HNNXBMFYSA-N 2 2 341.446 2.957 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001205770771 1313353279 /nfs/dbraw/zinc/35/32/79/1313353279.db2.gz NYVJFOMKTQWAQK-HNNXBMFYSA-N 2 2 341.446 2.957 20 10 EFCDLP CC[N@H+](Cc1cc(OC)c(Br)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236008161 1313430496 /nfs/dbraw/zinc/43/04/96/1313430496.db2.gz FADYYIJTRCWTAL-LBPRGKRZSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@@H+](Cc1cc(OC)c(Br)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236008161 1313430500 /nfs/dbraw/zinc/43/05/00/1313430500.db2.gz FADYYIJTRCWTAL-LBPRGKRZSA-N 2 2 343.265 2.737 20 10 EFCDLP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205593 1313455280 /nfs/dbraw/zinc/45/52/80/1313455280.db2.gz IDGZRERUEBGUBH-OAHLLOKOSA-N 2 2 332.366 2.907 20 10 EFCDLP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205593 1313455282 /nfs/dbraw/zinc/45/52/82/1313455282.db2.gz IDGZRERUEBGUBH-OAHLLOKOSA-N 2 2 332.366 2.907 20 10 EFCDLP COc1cc(O)c(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207598 1313455612 /nfs/dbraw/zinc/45/56/12/1313455612.db2.gz RDELFONZQCRJHY-OAHLLOKOSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(O)c(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207598 1313455615 /nfs/dbraw/zinc/45/56/15/1313455615.db2.gz RDELFONZQCRJHY-OAHLLOKOSA-N 2 2 343.265 2.737 20 10 EFCDLP Oc1ccc(Br)cc1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236200 1313458920 /nfs/dbraw/zinc/45/89/20/1313458920.db2.gz IHERTIILQKELQN-AWEZNQCLSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1ccc(Br)cc1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236200 1313458923 /nfs/dbraw/zinc/45/89/23/1313458923.db2.gz IHERTIILQKELQN-AWEZNQCLSA-N 2 2 325.250 2.871 20 10 EFCDLP COc1cc(O)c(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(OC)c1 ZINC001236653113 1313503579 /nfs/dbraw/zinc/50/35/79/1313503579.db2.gz OGFIDOHPUDCBNW-HNNXBMFYSA-N 2 2 334.460 2.906 20 10 EFCDLP COc1cc(O)c(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(OC)c1 ZINC001236653113 1313503582 /nfs/dbraw/zinc/50/35/82/1313503582.db2.gz OGFIDOHPUDCBNW-HNNXBMFYSA-N 2 2 334.460 2.906 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236930784 1313556325 /nfs/dbraw/zinc/55/63/25/1313556325.db2.gz NZTPLGLFNOGXAQ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236930784 1313556329 /nfs/dbraw/zinc/55/63/29/1313556329.db2.gz NZTPLGLFNOGXAQ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236930784 1313556332 /nfs/dbraw/zinc/55/63/32/1313556332.db2.gz NZTPLGLFNOGXAQ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236930784 1313556336 /nfs/dbraw/zinc/55/63/36/1313556336.db2.gz NZTPLGLFNOGXAQ-CALCHBBNSA-N 2 2 349.906 2.560 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ncccc4C3)c(F)c2)CC1 ZINC001236938325 1313557440 /nfs/dbraw/zinc/55/74/40/1313557440.db2.gz LSRJQCXFICOTIE-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ncccc4C3)c(F)c2)CC1 ZINC001236938325 1313557444 /nfs/dbraw/zinc/55/74/44/1313557444.db2.gz LSRJQCXFICOTIE-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP Cc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)cn1 ZINC001236946223 1313558892 /nfs/dbraw/zinc/55/88/92/1313558892.db2.gz MVPKSSIAIFGVDA-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)cn1 ZINC001236946223 1313558894 /nfs/dbraw/zinc/55/88/94/1313558894.db2.gz MVPKSSIAIFGVDA-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001237042884 1313574672 /nfs/dbraw/zinc/57/46/72/1313574672.db2.gz LBVZMXIMRJSWJB-UHFFFAOYSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001237042884 1313574675 /nfs/dbraw/zinc/57/46/75/1313574675.db2.gz LBVZMXIMRJSWJB-UHFFFAOYSA-N 2 2 348.487 2.866 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001237157150 1313594366 /nfs/dbraw/zinc/59/43/66/1313594366.db2.gz ZHALDIYQUVHCLY-NRFANRHFSA-N 3 2 342.531 2.545 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001237157150 1313594370 /nfs/dbraw/zinc/59/43/70/1313594370.db2.gz ZHALDIYQUVHCLY-NRFANRHFSA-N 3 2 342.531 2.545 20 10 EFCDLP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852010337 1299502682 /nfs/dbraw/zinc/50/26/82/1299502682.db2.gz WVZMEMZUKXELJX-HXUWFJFHSA-N 2 2 331.504 2.829 20 10 EFCDLP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852010337 1299502687 /nfs/dbraw/zinc/50/26/87/1299502687.db2.gz WVZMEMZUKXELJX-HXUWFJFHSA-N 2 2 331.504 2.829 20 10 EFCDLP Clc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001237410728 1313640569 /nfs/dbraw/zinc/64/05/69/1313640569.db2.gz CYBKXYWAZKCOEU-WMZOPIPTSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001237410728 1313640573 /nfs/dbraw/zinc/64/05/73/1313640573.db2.gz CYBKXYWAZKCOEU-WMZOPIPTSA-N 2 2 349.906 2.751 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237416068 1313641914 /nfs/dbraw/zinc/64/19/14/1313641914.db2.gz RKIUFWRLHKNMFV-WCQYABFASA-N 2 2 330.350 2.865 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237416068 1313641918 /nfs/dbraw/zinc/64/19/18/1313641918.db2.gz RKIUFWRLHKNMFV-WCQYABFASA-N 2 2 330.350 2.865 20 10 EFCDLP COc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c(OC)c1 ZINC001237674645 1313689145 /nfs/dbraw/zinc/68/91/45/1313689145.db2.gz KHIMXWKLLZXRLL-UHFFFAOYSA-N 2 2 334.460 2.860 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)CC1 ZINC001222354855 1311118281 /nfs/dbraw/zinc/11/82/81/1311118281.db2.gz OIDPWFIJXAQGGE-OAQYLSRUSA-N 3 2 342.531 2.547 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902483502 1311784355 /nfs/dbraw/zinc/78/43/55/1311784355.db2.gz QXFVVGCLMCTVCG-NVXWUHKLSA-N 2 2 335.467 2.845 20 10 EFCDLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(O)cc1O ZINC001231634095 1312536357 /nfs/dbraw/zinc/53/63/57/1312536357.db2.gz IBQWUARKXKTSNQ-UHFFFAOYSA-N 2 2 330.384 2.545 20 10 EFCDLP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)O1 ZINC001319704831 1328956615 /nfs/dbraw/zinc/95/66/15/1328956615.db2.gz DAGQERFHYUBJIM-WBVHZDCISA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C)O1 ZINC001319704831 1328956618 /nfs/dbraw/zinc/95/66/18/1328956618.db2.gz DAGQERFHYUBJIM-WBVHZDCISA-N 2 2 335.467 2.577 20 10 EFCDLP CCC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001337042868 1331530668 /nfs/dbraw/zinc/53/06/68/1331530668.db2.gz UIAKUKHVZJXXKE-KRWDZBQOSA-N 2 2 335.467 2.578 20 10 EFCDLP CCC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001337042868 1331530672 /nfs/dbraw/zinc/53/06/72/1331530672.db2.gz UIAKUKHVZJXXKE-KRWDZBQOSA-N 2 2 335.467 2.578 20 10 EFCDLP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523430 1332264808 /nfs/dbraw/zinc/26/48/08/1332264808.db2.gz BFKPFFHVWVDNSB-NVXWUHKLSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523430 1332264811 /nfs/dbraw/zinc/26/48/11/1332264811.db2.gz BFKPFFHVWVDNSB-NVXWUHKLSA-N 2 2 335.467 2.577 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000848575716 1334803732 /nfs/dbraw/zinc/80/37/32/1334803732.db2.gz VYORRYHEQAVDGT-RTWAWAEBSA-N 3 2 342.531 2.545 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000848575718 1334803875 /nfs/dbraw/zinc/80/38/75/1334803875.db2.gz VYORRYHEQAVDGT-SFTDATJTSA-N 3 2 342.531 2.545 20 10 EFCDLP Cc1cc(N2CC[NH+](Cc3ccc(N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001356082852 1334950092 /nfs/dbraw/zinc/95/00/92/1334950092.db2.gz FSFLXSSJLMLLAB-UHFFFAOYSA-N 2 2 325.460 2.813 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848930057 1334994790 /nfs/dbraw/zinc/99/47/90/1334994790.db2.gz NECCZDVQOOAXSE-IBGZPJMESA-N 2 2 331.504 2.748 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848930057 1334994794 /nfs/dbraw/zinc/99/47/94/1334994794.db2.gz NECCZDVQOOAXSE-IBGZPJMESA-N 2 2 331.504 2.748 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3CCC3)CC2)cc1 ZINC000178422488 715677807 /nfs/dbraw/zinc/67/78/07/715677807.db2.gz FCTHCOFIRATQLA-KRWDZBQOSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000178422502 715677830 /nfs/dbraw/zinc/67/78/30/715677830.db2.gz FCTHCOFIRATQLA-QGZVFWFLSA-N 2 2 331.504 2.986 20 10 EFCDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000162833502 716909271 /nfs/dbraw/zinc/90/92/71/716909271.db2.gz BJIHPPIRVFEXMF-HXUWFJFHSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(O)c1OC ZINC000892651527 718375510 /nfs/dbraw/zinc/37/55/10/718375510.db2.gz ZLOYVMWULPLDAG-HNNXBMFYSA-N 2 2 333.432 2.810 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000237274150 723571029 /nfs/dbraw/zinc/57/10/29/723571029.db2.gz ZHJBMUKSXGGLBV-ROUUACIJSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@H](C[NH2+]Cc1cccc(Br)c1O)C[NH+]1CCCC1 ZINC000060942135 728450979 /nfs/dbraw/zinc/45/09/79/728450979.db2.gz LGRSJAVYDGMCNV-GFCCVEGCSA-N 2 2 327.266 2.976 20 10 EFCDLP COC1CCN(c2ccc(C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@H]3C)cc2)CC1 ZINC001578941049 1090484165 /nfs/dbraw/zinc/48/41/65/1090484165.db2.gz NUVYOUFADVJCQQ-GQIGUUNPSA-N 2 2 331.504 2.778 20 10 EFCDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590688169 1093549410 /nfs/dbraw/zinc/54/94/10/1093549410.db2.gz XCULRDPHZYNWCC-KBPBESRZSA-N 2 2 346.479 2.733 20 10 EFCDLP COc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236204431 1112244559 /nfs/dbraw/zinc/24/45/59/1112244559.db2.gz ADLINPICUXKGGI-HNNXBMFYSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236204431 1112244562 /nfs/dbraw/zinc/24/45/62/1112244562.db2.gz ADLINPICUXKGGI-HNNXBMFYSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nccn3C)cc2F)CC1 ZINC000182885750 1118670252 /nfs/dbraw/zinc/67/02/52/1118670252.db2.gz PWNPWFLDAWTLHD-HNNXBMFYSA-N 2 2 345.466 2.552 20 10 EFCDLP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000273606689 299283944 /nfs/dbraw/zinc/28/39/44/299283944.db2.gz UHSUQTXRLXXEAF-JTQLQIEISA-N 2 2 333.259 2.806 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252666759 240308736 /nfs/dbraw/zinc/30/87/36/240308736.db2.gz BTSQCNXGPWCNHY-QWHCGFSZSA-N 2 2 331.243 2.652 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666759 240308742 /nfs/dbraw/zinc/30/87/42/240308742.db2.gz BTSQCNXGPWCNHY-QWHCGFSZSA-N 2 2 331.243 2.652 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908165 278352121 /nfs/dbraw/zinc/35/21/21/278352121.db2.gz MGMUQTUYROGGTM-WIYYLYMNSA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908165 278352122 /nfs/dbraw/zinc/35/21/22/278352122.db2.gz MGMUQTUYROGGTM-WIYYLYMNSA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992464 473295467 /nfs/dbraw/zinc/29/54/67/473295467.db2.gz HBVGQGUEKZVTIW-RDTXWAMCSA-N 2 2 344.430 2.601 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992464 473295469 /nfs/dbraw/zinc/29/54/69/473295469.db2.gz HBVGQGUEKZVTIW-RDTXWAMCSA-N 2 2 344.430 2.601 20 10 EFCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000191123737 473484585 /nfs/dbraw/zinc/48/45/85/473484585.db2.gz OPUWKBDNTLTASI-GFCCVEGCSA-N 2 2 342.842 2.775 20 10 EFCDLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)N1CC[NH+](C)CC1 ZINC000191197407 473505031 /nfs/dbraw/zinc/50/50/31/473505031.db2.gz WQKSSYUWGWVBTI-XJKSGUPXSA-N 2 2 341.446 2.593 20 10 EFCDLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1O ZINC000287578062 473700434 /nfs/dbraw/zinc/70/04/34/473700434.db2.gz HFEMFFLOIHHSBE-MRXNPFEDSA-N 2 2 326.868 2.933 20 10 EFCDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192842720 473736354 /nfs/dbraw/zinc/73/63/54/473736354.db2.gz NMTLXAGDTDNWKK-RYUDHWBXSA-N 2 2 346.302 2.986 20 10 EFCDLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187698966 473905675 /nfs/dbraw/zinc/90/56/75/473905675.db2.gz HZTRRDNPBHLCNL-KBPBESRZSA-N 2 2 341.446 2.595 20 10 EFCDLP Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000227435667 474245942 /nfs/dbraw/zinc/24/59/42/474245942.db2.gz YCIHOYSWYXASFF-UHFFFAOYSA-N 2 2 325.250 2.871 20 10 EFCDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525521 474575414 /nfs/dbraw/zinc/57/54/14/474575414.db2.gz QGZHHFNTOOEGLG-SMDDNHRTSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525521 474575416 /nfs/dbraw/zinc/57/54/16/474575416.db2.gz QGZHHFNTOOEGLG-SMDDNHRTSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525510 474576042 /nfs/dbraw/zinc/57/60/42/474576042.db2.gz QGZHHFNTOOEGLG-FZMZJTMJSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525510 474576047 /nfs/dbraw/zinc/57/60/47/474576047.db2.gz QGZHHFNTOOEGLG-FZMZJTMJSA-N 2 2 327.266 2.927 20 10 EFCDLP COc1c(O)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000278527056 474682368 /nfs/dbraw/zinc/68/23/68/474682368.db2.gz UDYWQTQKQRUTLZ-UHFFFAOYSA-N 2 2 337.420 2.521 20 10 EFCDLP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285760293 475041207 /nfs/dbraw/zinc/04/12/07/475041207.db2.gz SDCQUKHQEDEIHA-MSOLQXFVSA-N 2 2 337.483 2.844 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000292777170 475192830 /nfs/dbraw/zinc/19/28/30/475192830.db2.gz LALDBUKAAOTCFA-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000292777170 475192836 /nfs/dbraw/zinc/19/28/36/475192836.db2.gz LALDBUKAAOTCFA-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626842 476483020 /nfs/dbraw/zinc/48/30/20/476483020.db2.gz NBKVJFCRMXMMHB-MRXNPFEDSA-N 2 2 337.895 2.646 20 10 EFCDLP C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626842 476483027 /nfs/dbraw/zinc/48/30/27/476483027.db2.gz NBKVJFCRMXMMHB-MRXNPFEDSA-N 2 2 337.895 2.646 20 10 EFCDLP CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000492810266 479021063 /nfs/dbraw/zinc/02/10/63/479021063.db2.gz HVPRONMDWVNFFV-RUDMXATFSA-N 2 2 340.427 2.561 20 10 EFCDLP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000756399521 575731103 /nfs/dbraw/zinc/73/11/03/575731103.db2.gz QLMSGUXUPJCGSC-GUYCJALGSA-N 2 2 341.446 2.593 20 10 EFCDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1O ZINC000756562761 575762802 /nfs/dbraw/zinc/76/28/02/575762802.db2.gz KJQXMMHWFLLCRI-GXTWGEPZSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1O ZINC000756562761 575762803 /nfs/dbraw/zinc/76/28/03/575762803.db2.gz KJQXMMHWFLLCRI-GXTWGEPZSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc(F)c1O ZINC000756572628 575764515 /nfs/dbraw/zinc/76/45/15/575764515.db2.gz HBQMCAKXOWSHRI-WFASDCNBSA-N 2 2 340.414 2.964 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1O ZINC000756587044 575765701 /nfs/dbraw/zinc/76/57/01/575765701.db2.gz YJCLEEFSTYCNJA-OLZOCXBDSA-N 2 2 340.414 2.822 20 10 EFCDLP COc1cc(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000768439819 577273554 /nfs/dbraw/zinc/27/35/54/577273554.db2.gz KOFQEYPLSKHDRR-UHFFFAOYSA-N 2 2 334.460 2.860 20 10 EFCDLP Fc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1N1CCOCC1 ZINC000769313612 577351210 /nfs/dbraw/zinc/35/12/10/577351210.db2.gz UZWTUOYULAUKNO-QGZVFWFLSA-N 2 2 344.434 2.696 20 10 EFCDLP Fc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1N1CCOCC1 ZINC000769313612 577351211 /nfs/dbraw/zinc/35/12/11/577351211.db2.gz UZWTUOYULAUKNO-QGZVFWFLSA-N 2 2 344.434 2.696 20 10 EFCDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706835087 1275042279 /nfs/dbraw/zinc/04/22/79/1275042279.db2.gz QAZKZHPFTIBUJG-GFCCVEGCSA-N 2 2 327.266 2.976 20 10 EFCDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706835087 1275042287 /nfs/dbraw/zinc/04/22/87/1275042287.db2.gz QAZKZHPFTIBUJG-GFCCVEGCSA-N 2 2 327.266 2.976 20 10 EFCDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000787302695 1275750836 /nfs/dbraw/zinc/75/08/36/1275750836.db2.gz DDJVSRYEEIFTAT-CALCHBBNSA-N 2 2 344.459 2.579 20 10 EFCDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000787302695 1275750838 /nfs/dbraw/zinc/75/08/38/1275750838.db2.gz DDJVSRYEEIFTAT-CALCHBBNSA-N 2 2 344.459 2.579 20 10 EFCDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000787302695 1275750843 /nfs/dbraw/zinc/75/08/43/1275750843.db2.gz DDJVSRYEEIFTAT-CALCHBBNSA-N 2 2 344.459 2.579 20 10 EFCDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000787302695 1275750846 /nfs/dbraw/zinc/75/08/46/1275750846.db2.gz DDJVSRYEEIFTAT-CALCHBBNSA-N 2 2 344.459 2.579 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000817889312 1276348442 /nfs/dbraw/zinc/34/84/42/1276348442.db2.gz SJNGFCJXXGKCRD-ZXFNITATSA-N 2 2 335.467 2.527 20 10 EFCDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(Br)c2O)C[C@H]1C[NH3+] ZINC000817865969 1276351107 /nfs/dbraw/zinc/35/11/07/1276351107.db2.gz QFIFCUJNBDUJDO-NTZNESFSSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C[NH3+] ZINC000817865969 1276351114 /nfs/dbraw/zinc/35/11/14/1276351114.db2.gz QFIFCUJNBDUJDO-NTZNESFSSA-N 2 2 327.266 2.960 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817893128 1276363394 /nfs/dbraw/zinc/36/33/94/1276363394.db2.gz FCDNWFBJKRTKKC-UZLBHIALSA-N 2 2 331.504 2.516 20 10 EFCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000817902165 1276367139 /nfs/dbraw/zinc/36/71/39/1276367139.db2.gz JPVQCPXGOIZVTL-PKOBYXMFSA-N 2 2 331.504 2.780 20 10 EFCDLP Cc1cc(C)c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(O)c1 ZINC000817952124 1276396727 /nfs/dbraw/zinc/39/67/27/1276396727.db2.gz HUDPWGWHYJPVOE-OAHLLOKOSA-N 2 2 326.444 2.987 20 10 EFCDLP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817954801 1276398039 /nfs/dbraw/zinc/39/80/39/1276398039.db2.gz KDZHAGCAXHOVSJ-ZJUUUORDSA-N 2 2 331.229 2.944 20 10 EFCDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975192 1276415418 /nfs/dbraw/zinc/41/54/18/1276415418.db2.gz RMMRIXJIMHZMMQ-XHDPSFHLSA-N 2 2 343.265 2.574 20 10 EFCDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCC[NH2+]1 ZINC000817975189 1276415437 /nfs/dbraw/zinc/41/54/37/1276415437.db2.gz RMMRIXJIMHZMMQ-IAQYHMDHSA-N 2 2 343.265 2.574 20 10 EFCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000817983060 1276421392 /nfs/dbraw/zinc/42/13/92/1276421392.db2.gz JTDQRJCTFJUWBA-MJGOQNOKSA-N 2 2 326.440 2.644 20 10 EFCDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Br)c1O)C2 ZINC000844902530 1279324048 /nfs/dbraw/zinc/32/40/48/1279324048.db2.gz OTOVJJAQCMYFEF-WFASDCNBSA-N 2 2 325.250 2.716 20 10 EFCDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(Br)c1O)C2 ZINC000844902530 1279324057 /nfs/dbraw/zinc/32/40/57/1279324057.db2.gz OTOVJJAQCMYFEF-WFASDCNBSA-N 2 2 325.250 2.716 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806127872 1280985530 /nfs/dbraw/zinc/98/55/30/1280985530.db2.gz KYFKLRQDMIXFLT-NHCUHLMSSA-N 2 2 343.515 2.986 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3noc4c3CCCC4)cc2)CC1 ZINC000808436442 1281710591 /nfs/dbraw/zinc/71/05/91/1281710591.db2.gz XEQRUCOBXCKGSI-UHFFFAOYSA-N 2 2 340.471 2.595 20 10 EFCDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)N1CC[NH+](C)CC1 ZINC000815576827 1287608722 /nfs/dbraw/zinc/60/87/22/1287608722.db2.gz ZFYXPPBRBPMGHO-STQMWFEESA-N 2 2 345.409 2.698 20 10 EFCDLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715814145 1284368966 /nfs/dbraw/zinc/36/89/66/1284368966.db2.gz PNBJXLRWJDKLLR-UHFFFAOYSA-N 2 2 333.245 2.971 20 10 EFCDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816528500 1288204904 /nfs/dbraw/zinc/20/49/04/1288204904.db2.gz FTZOPOIFQWOBNL-GOSISDBHSA-N 2 2 328.456 2.992 20 10 EFCDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816528500 1288204907 /nfs/dbraw/zinc/20/49/07/1288204907.db2.gz FTZOPOIFQWOBNL-GOSISDBHSA-N 2 2 328.456 2.992 20 10 EFCDLP COC(=O)c1c(C[N@H+](C)CCC[NH+]2CCCC2)c2ccccc2n1C ZINC001232405092 1312695045 /nfs/dbraw/zinc/69/50/45/1312695045.db2.gz FOLYCKSHPYOHCD-UHFFFAOYSA-N 2 2 343.471 2.883 20 10 EFCDLP COC(=O)c1c(C[N@@H+](C)CCC[NH+]2CCCC2)c2ccccc2n1C ZINC001232405092 1312695048 /nfs/dbraw/zinc/69/50/48/1312695048.db2.gz FOLYCKSHPYOHCD-UHFFFAOYSA-N 2 2 343.471 2.883 20 10 EFCDLP Fc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC000093597560 1291178230 /nfs/dbraw/zinc/17/82/30/1291178230.db2.gz OIXZMSHLLPQQHK-GOSISDBHSA-N 2 2 347.478 2.580 20 10 EFCDLP Fc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1N1CCOCC1 ZINC000093597560 1291178231 /nfs/dbraw/zinc/17/82/31/1291178231.db2.gz OIXZMSHLLPQQHK-GOSISDBHSA-N 2 2 347.478 2.580 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000877619454 1291293619 /nfs/dbraw/zinc/29/36/19/1291293619.db2.gz ZJULXFZKUWQJFB-RTWAWAEBSA-N 2 2 343.515 2.754 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000877619454 1291293628 /nfs/dbraw/zinc/29/36/28/1291293628.db2.gz ZJULXFZKUWQJFB-RTWAWAEBSA-N 2 2 343.515 2.754 20 10 EFCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680838 1291680188 /nfs/dbraw/zinc/68/01/88/1291680188.db2.gz VRRAQDPHBYGRNM-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680838 1291680198 /nfs/dbraw/zinc/68/01/98/1291680198.db2.gz VRRAQDPHBYGRNM-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680838 1291680209 /nfs/dbraw/zinc/68/02/09/1291680209.db2.gz VRRAQDPHBYGRNM-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000691680838 1291680218 /nfs/dbraw/zinc/68/02/18/1291680218.db2.gz VRRAQDPHBYGRNM-HNNXBMFYSA-N 2 2 325.250 2.682 20 10 EFCDLP CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)[nH+]1 ZINC000882880088 1293364854 /nfs/dbraw/zinc/36/48/54/1293364854.db2.gz BBOONURMUPTGRY-UHFFFAOYSA-N 2 2 325.460 2.711 20 10 EFCDLP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000883015286 1293430768 /nfs/dbraw/zinc/43/07/68/1293430768.db2.gz OGQFEFAFIYJIEF-BETUJISGSA-N 2 2 328.403 2.649 20 10 EFCDLP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2O)C[C@H](C)O1 ZINC000883015286 1293430770 /nfs/dbraw/zinc/43/07/70/1293430770.db2.gz OGQFEFAFIYJIEF-BETUJISGSA-N 2 2 328.403 2.649 20 10 EFCDLP CN(C)c1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001203936490 1313051175 /nfs/dbraw/zinc/05/11/75/1313051175.db2.gz FXPFLGNKEUNLHE-UHFFFAOYSA-N 2 2 331.504 2.828 20 10 EFCDLP CN(C)c1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001203936490 1313051179 /nfs/dbraw/zinc/05/11/79/1313051179.db2.gz FXPFLGNKEUNLHE-UHFFFAOYSA-N 2 2 331.504 2.828 20 10 EFCDLP Oc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247145 /nfs/dbraw/zinc/24/71/45/1296247145.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 2 2 340.471 2.994 20 10 EFCDLP Oc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247148 /nfs/dbraw/zinc/24/71/48/1296247148.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 2 2 340.471 2.994 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247158 /nfs/dbraw/zinc/24/71/58/1296247158.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 2 2 340.471 2.994 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267191 1296247169 /nfs/dbraw/zinc/24/71/69/1296247169.db2.gz KWCPPUIGURZURL-FQEVSTJZSA-N 2 2 340.471 2.994 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235117338 1313245282 /nfs/dbraw/zinc/24/52/82/1313245282.db2.gz AGVGMQIWEHLCTG-NRFANRHFSA-N 3 2 342.531 2.547 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235117338 1313245286 /nfs/dbraw/zinc/24/52/86/1313245286.db2.gz AGVGMQIWEHLCTG-NRFANRHFSA-N 3 2 342.531 2.547 20 10 EFCDLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001205578603 1313316704 /nfs/dbraw/zinc/31/67/04/1313316704.db2.gz GREDRCGWOHTUDD-CQSZACIVSA-N 2 2 349.219 2.947 20 10 EFCDLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001205578603 1313316708 /nfs/dbraw/zinc/31/67/08/1313316708.db2.gz GREDRCGWOHTUDD-CQSZACIVSA-N 2 2 349.219 2.947 20 10 EFCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373724 /nfs/dbraw/zinc/37/37/24/1313373724.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373727 /nfs/dbraw/zinc/37/37/27/1313373727.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373730 /nfs/dbraw/zinc/37/37/30/1313373730.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373734 /nfs/dbraw/zinc/37/37/34/1313373734.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 2 2 332.488 2.842 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)c(OC)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235807783 1313401427 /nfs/dbraw/zinc/40/14/27/1313401427.db2.gz WOTUUZWXSSDLHJ-AWEZNQCLSA-N 2 2 342.867 2.645 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235807783 1313401428 /nfs/dbraw/zinc/40/14/28/1313401428.db2.gz WOTUUZWXSSDLHJ-AWEZNQCLSA-N 2 2 342.867 2.645 20 10 EFCDLP Oc1c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236239334 1313459631 /nfs/dbraw/zinc/45/96/31/1313459631.db2.gz JXIIWDICPYWFHB-GOSISDBHSA-N 2 2 341.499 2.807 20 10 EFCDLP Oc1c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236239334 1313459632 /nfs/dbraw/zinc/45/96/32/1313459632.db2.gz JXIIWDICPYWFHB-GOSISDBHSA-N 2 2 341.499 2.807 20 10 EFCDLP CCC[N@H+](Cc1cc(Br)c(OC)cc1O)[C@H]1CC[NH2+]C1 ZINC001236322765 1313469307 /nfs/dbraw/zinc/46/93/07/1313469307.db2.gz AHJHKENFMJEOCK-LBPRGKRZSA-N 2 2 343.265 2.737 20 10 EFCDLP CCC[N@@H+](Cc1cc(Br)c(OC)cc1O)[C@H]1CC[NH2+]C1 ZINC001236322765 1313469310 /nfs/dbraw/zinc/46/93/10/1313469310.db2.gz AHJHKENFMJEOCK-LBPRGKRZSA-N 2 2 343.265 2.737 20 10 EFCDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206574206 1313478131 /nfs/dbraw/zinc/47/81/31/1313478131.db2.gz QLXPMSUQTBPGJX-HNNXBMFYSA-N 2 2 343.265 2.811 20 10 EFCDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206574206 1313478134 /nfs/dbraw/zinc/47/81/34/1313478134.db2.gz QLXPMSUQTBPGJX-HNNXBMFYSA-N 2 2 343.265 2.811 20 10 EFCDLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(O)cc1Br ZINC001236744902 1313520983 /nfs/dbraw/zinc/52/09/83/1313520983.db2.gz ILRSQGMIRLVVIN-UHFFFAOYSA-N 2 2 343.265 2.689 20 10 EFCDLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(O)cc1Br ZINC001236744902 1313520984 /nfs/dbraw/zinc/52/09/84/1313520984.db2.gz ILRSQGMIRLVVIN-UHFFFAOYSA-N 2 2 343.265 2.689 20 10 EFCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920349 1313553469 /nfs/dbraw/zinc/55/34/69/1313553469.db2.gz UHDYGKRUQRSEPM-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920349 1313553473 /nfs/dbraw/zinc/55/34/73/1313553473.db2.gz UHDYGKRUQRSEPM-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920349 1313553476 /nfs/dbraw/zinc/55/34/76/1313553476.db2.gz UHDYGKRUQRSEPM-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C2)C1 ZINC001236920349 1313553480 /nfs/dbraw/zinc/55/34/80/1313553480.db2.gz UHDYGKRUQRSEPM-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062433 1313579584 /nfs/dbraw/zinc/57/95/84/1313579584.db2.gz NTZCJCNVEMGUFU-DOMZBBRYSA-N 2 2 344.377 2.859 20 10 EFCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062433 1313579586 /nfs/dbraw/zinc/57/95/86/1313579586.db2.gz NTZCJCNVEMGUFU-DOMZBBRYSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062433 1313579590 /nfs/dbraw/zinc/57/95/90/1313579590.db2.gz NTZCJCNVEMGUFU-DOMZBBRYSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062433 1313579593 /nfs/dbraw/zinc/57/95/93/1313579593.db2.gz NTZCJCNVEMGUFU-DOMZBBRYSA-N 2 2 344.377 2.859 20 10 EFCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115413 1313588925 /nfs/dbraw/zinc/58/89/25/1313588925.db2.gz SFRYXXKBQLGCHC-HNNXBMFYSA-N 2 2 330.350 2.818 20 10 EFCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115413 1313588929 /nfs/dbraw/zinc/58/89/29/1313588929.db2.gz SFRYXXKBQLGCHC-HNNXBMFYSA-N 2 2 330.350 2.818 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115413 1313588931 /nfs/dbraw/zinc/58/89/31/1313588931.db2.gz SFRYXXKBQLGCHC-HNNXBMFYSA-N 2 2 330.350 2.818 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115413 1313588934 /nfs/dbraw/zinc/58/89/34/1313588934.db2.gz SFRYXXKBQLGCHC-HNNXBMFYSA-N 2 2 330.350 2.818 20 10 EFCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383894 1313633106 /nfs/dbraw/zinc/63/31/06/1313633106.db2.gz SFICNZOMYUGDNK-RISCZKNCSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383894 1313633110 /nfs/dbraw/zinc/63/31/10/1313633110.db2.gz SFICNZOMYUGDNK-RISCZKNCSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237416064 1313641484 /nfs/dbraw/zinc/64/14/84/1313641484.db2.gz RKIUFWRLHKNMFV-AAEUAGOBSA-N 2 2 330.350 2.865 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237416064 1313641486 /nfs/dbraw/zinc/64/14/86/1313641486.db2.gz RKIUFWRLHKNMFV-AAEUAGOBSA-N 2 2 330.350 2.865 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Br ZINC001237680773 1313689943 /nfs/dbraw/zinc/68/99/43/1313689943.db2.gz FIPIMFYOIKREHL-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1Br ZINC001237680773 1313689947 /nfs/dbraw/zinc/68/99/47/1313689947.db2.gz FIPIMFYOIKREHL-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Br ZINC001237680773 1313689948 /nfs/dbraw/zinc/68/99/48/1313689948.db2.gz FIPIMFYOIKREHL-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Br ZINC001237680773 1313689952 /nfs/dbraw/zinc/68/99/52/1313689952.db2.gz FIPIMFYOIKREHL-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237684429 1313691800 /nfs/dbraw/zinc/69/18/00/1313691800.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237684429 1313691804 /nfs/dbraw/zinc/69/18/04/1313691804.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237684429 1313691808 /nfs/dbraw/zinc/69/18/08/1313691808.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237684429 1313691812 /nfs/dbraw/zinc/69/18/12/1313691812.db2.gz KMEXQMYIFFSVTP-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP COc1ccc(N2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)c(C)c1 ZINC001238115919 1313764431 /nfs/dbraw/zinc/76/44/31/1313764431.db2.gz NVCKUFPJZMDREM-UHFFFAOYSA-N 2 2 336.439 2.974 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001276593267 1314028040 /nfs/dbraw/zinc/02/80/40/1314028040.db2.gz GABPYKGCLOKTCQ-ALOPSCKCSA-N 2 2 349.906 2.891 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001276593267 1314028042 /nfs/dbraw/zinc/02/80/42/1314028042.db2.gz GABPYKGCLOKTCQ-ALOPSCKCSA-N 2 2 349.906 2.891 20 10 EFCDLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)cc1Br ZINC001250133980 1315177020 /nfs/dbraw/zinc/17/70/20/1315177020.db2.gz SVDDPDKWVHSAKP-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1Br ZINC001250133980 1315177021 /nfs/dbraw/zinc/17/70/21/1315177021.db2.gz SVDDPDKWVHSAKP-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)cc1Br ZINC001250133980 1315177023 /nfs/dbraw/zinc/17/70/23/1315177023.db2.gz SVDDPDKWVHSAKP-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(O)cc1Br ZINC001250133980 1315177025 /nfs/dbraw/zinc/17/70/25/1315177025.db2.gz SVDDPDKWVHSAKP-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CC[NH2+]C[C@@H](O)C2)c(O)c1 ZINC001210476129 1314338936 /nfs/dbraw/zinc/33/89/36/1314338936.db2.gz SDXDFMOCMWDEOZ-LJQANCHMSA-N 2 2 349.519 2.565 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CC[NH2+]C[C@@H](O)C2)c(O)c1 ZINC001210476129 1314338939 /nfs/dbraw/zinc/33/89/39/1314338939.db2.gz SDXDFMOCMWDEOZ-LJQANCHMSA-N 2 2 349.519 2.565 20 10 EFCDLP CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000801597498 1310574780 /nfs/dbraw/zinc/57/47/80/1310574780.db2.gz IKGHAKAIJDZEBS-KRWDZBQOSA-N 2 2 347.503 2.547 20 10 EFCDLP CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000801597498 1310574791 /nfs/dbraw/zinc/57/47/91/1310574791.db2.gz IKGHAKAIJDZEBS-KRWDZBQOSA-N 2 2 347.503 2.547 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222360744 1311118909 /nfs/dbraw/zinc/11/89/09/1311118909.db2.gz UCOOYDIQPOKANJ-OAQYLSRUSA-N 2 2 339.483 2.860 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)c2ccccc21 ZINC001222360744 1311118912 /nfs/dbraw/zinc/11/89/12/1311118912.db2.gz UCOOYDIQPOKANJ-OAQYLSRUSA-N 2 2 339.483 2.860 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001231845106 1312573255 /nfs/dbraw/zinc/57/32/55/1312573255.db2.gz VLINMDMIFJEROD-QZTJIDSGSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845055 1312573755 /nfs/dbraw/zinc/57/37/55/1312573755.db2.gz WPWWGAUUEFXGDY-OALUTQOASA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c1 ZINC001231845720 1312573766 /nfs/dbraw/zinc/57/37/66/1312573766.db2.gz RDXFAUFSIZKZKN-UHFFFAOYSA-N 2 2 326.444 2.738 20 10 EFCDLP CC[NH+](CC)CCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231910145 1312586379 /nfs/dbraw/zinc/58/63/79/1312586379.db2.gz WCGFKAPITVDBRK-UHFFFAOYSA-N 2 2 325.884 2.505 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(Br)cc3O)C[C@@H]2C1 ZINC001250136231 1315178031 /nfs/dbraw/zinc/17/80/31/1315178031.db2.gz OQQRVLOSOZBHSR-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(Br)cc3O)C[C@@H]2C1 ZINC001250136231 1315178035 /nfs/dbraw/zinc/17/80/35/1315178035.db2.gz OQQRVLOSOZBHSR-OKILXGFUSA-N 2 2 339.277 2.847 20 10 EFCDLP CC(C)c1ccc(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c(O)c1 ZINC001276815025 1315436717 /nfs/dbraw/zinc/43/67/17/1315436717.db2.gz NXZXPHRESONCPA-UHFFFAOYSA-N 2 2 340.471 2.672 20 10 EFCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1O ZINC001255277449 1315799343 /nfs/dbraw/zinc/79/93/43/1315799343.db2.gz RZPCESYMWKYODO-NXOUGTEYSA-N 2 2 330.453 2.934 20 10 EFCDLP CN(C)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)[nH+]c1 ZINC001325436890 1329687884 /nfs/dbraw/zinc/68/78/84/1329687884.db2.gz JHPQRNQCARIOHP-UHFFFAOYSA-N 2 2 343.450 2.651 20 10 EFCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC2(CCC2)O1 ZINC001327122257 1330420629 /nfs/dbraw/zinc/42/06/29/1330420629.db2.gz ZROFXKCKQFXDDY-INIZCTEOSA-N 2 2 347.478 2.721 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC2(CCC2)O1 ZINC001327122257 1330420631 /nfs/dbraw/zinc/42/06/31/1330420631.db2.gz ZROFXKCKQFXDDY-INIZCTEOSA-N 2 2 347.478 2.721 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CCC3)cc2F)CC1 ZINC001329514623 1330713857 /nfs/dbraw/zinc/71/38/57/1330713857.db2.gz YOPRIDRWYUWECG-FQEVSTJZSA-N 2 2 347.478 2.578 20 10 EFCDLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000849350224 1335596629 /nfs/dbraw/zinc/59/66/29/1335596629.db2.gz VDKBHZGLYINQQN-OALUTQOASA-N 2 2 326.415 2.996 20 10 EFCDLP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1OC ZINC000891567655 714828324 /nfs/dbraw/zinc/82/83/24/714828324.db2.gz KTKAJGJFJXTIAN-UHFFFAOYSA-N 2 2 334.460 2.860 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cn(C)cn3)cc2F)CC1 ZINC000924994762 722040989 /nfs/dbraw/zinc/04/09/89/722040989.db2.gz AISZGFBYASEDQD-OAHLLOKOSA-N 2 2 345.466 2.552 20 10 EFCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1 ZINC001578424581 1090369781 /nfs/dbraw/zinc/36/97/81/1090369781.db2.gz NHZYQGFDOQNNIO-LJQANCHMSA-N 2 2 327.472 2.770 20 10 EFCDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590688170 1093549917 /nfs/dbraw/zinc/54/99/17/1093549917.db2.gz XCULRDPHZYNWCC-KGLIPLIRSA-N 2 2 346.479 2.733 20 10 EFCDLP C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CCO1 ZINC001168094827 1103177881 /nfs/dbraw/zinc/17/78/81/1103177881.db2.gz ZQAWINFNWBXRBR-TUGJPZLJSA-N 2 2 342.439 2.996 20 10 EFCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000904353032 1107837827 /nfs/dbraw/zinc/83/78/27/1107837827.db2.gz GNYPZTJTHBXRKV-LJQANCHMSA-N 2 2 325.456 2.867 20 10 EFCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1O ZINC000187726617 296115028 /nfs/dbraw/zinc/11/50/28/296115028.db2.gz JFCASLRJTNCXJC-CHWSQXEVSA-N 2 2 340.414 2.822 20 10 EFCDLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192832424 296131355 /nfs/dbraw/zinc/13/13/55/296131355.db2.gz GSBKAHDGTPWICJ-NWDGAFQWSA-N 2 2 346.302 2.986 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000273419023 292013925 /nfs/dbraw/zinc/01/39/25/292013925.db2.gz RORYGYXFJXBZKU-AWEZNQCLSA-N 2 2 334.460 2.950 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000273419024 292014072 /nfs/dbraw/zinc/01/40/72/292014072.db2.gz RORYGYXFJXBZKU-CQSZACIVSA-N 2 2 334.460 2.950 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908163 278265437 /nfs/dbraw/zinc/26/54/37/278265437.db2.gz MGMUQTUYROGGTM-RXVVDRJESA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908163 278265439 /nfs/dbraw/zinc/26/54/39/278265439.db2.gz MGMUQTUYROGGTM-RXVVDRJESA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1O ZINC000184968478 473286682 /nfs/dbraw/zinc/28/66/82/473286682.db2.gz NFHNPIGTGQOORR-AWEZNQCLSA-N 2 2 344.434 2.529 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1O ZINC000185042042 473309900 /nfs/dbraw/zinc/30/99/00/473309900.db2.gz VBBZTALBESRCEL-CQSZACIVSA-N 2 2 344.434 2.529 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000156682214 472739505 /nfs/dbraw/zinc/73/95/05/472739505.db2.gz OKIJYSBJSOFTEG-QGZVFWFLSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000156682214 472739508 /nfs/dbraw/zinc/73/95/08/472739508.db2.gz OKIJYSBJSOFTEG-QGZVFWFLSA-N 2 2 331.504 2.986 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000048797070 472910815 /nfs/dbraw/zinc/91/08/15/472910815.db2.gz QJXAFMDXGRYUDD-UHFFFAOYSA-N 2 2 325.250 2.871 20 10 EFCDLP c1cn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c[nH+]1 ZINC000092648591 472951145 /nfs/dbraw/zinc/95/11/45/472951145.db2.gz VDTSCKCTXABACP-UHFFFAOYSA-N 2 2 326.444 2.557 20 10 EFCDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235768 473197918 /nfs/dbraw/zinc/19/79/18/473197918.db2.gz ZVRXYZAMKCMRTN-KRWDZBQOSA-N 2 2 339.439 2.852 20 10 EFCDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235768 473197919 /nfs/dbraw/zinc/19/79/19/473197919.db2.gz ZVRXYZAMKCMRTN-KRWDZBQOSA-N 2 2 339.439 2.852 20 10 EFCDLP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1O ZINC000185352890 473402570 /nfs/dbraw/zinc/40/25/70/473402570.db2.gz GPTXLEUDLZJSDD-CQSZACIVSA-N 2 2 339.911 2.970 20 10 EFCDLP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1O ZINC000185352890 473402576 /nfs/dbraw/zinc/40/25/76/473402576.db2.gz GPTXLEUDLZJSDD-CQSZACIVSA-N 2 2 339.911 2.970 20 10 EFCDLP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287695893 473736940 /nfs/dbraw/zinc/73/69/40/473736940.db2.gz NJWOSYQBBGSXTQ-CJNGLKHVSA-N 2 2 325.884 2.722 20 10 EFCDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1O ZINC000187714066 473908010 /nfs/dbraw/zinc/90/80/10/473908010.db2.gz LZJWTYQLWYDPSP-QWHCGFSZSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1O ZINC000187714066 473908019 /nfs/dbraw/zinc/90/80/19/473908019.db2.gz LZJWTYQLWYDPSP-QWHCGFSZSA-N 2 2 328.403 2.558 20 10 EFCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182087930 474097063 /nfs/dbraw/zinc/09/70/63/474097063.db2.gz CGTPOIAAHPUPDE-CQSZACIVSA-N 2 2 345.443 2.598 20 10 EFCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182087930 474097069 /nfs/dbraw/zinc/09/70/69/474097069.db2.gz CGTPOIAAHPUPDE-CQSZACIVSA-N 2 2 345.443 2.598 20 10 EFCDLP COc1c(O)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278106299 474601412 /nfs/dbraw/zinc/60/14/12/474601412.db2.gz ATBIBZXVJWSYAM-UHFFFAOYSA-N 2 2 339.436 2.908 20 10 EFCDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1O ZINC000272819729 474626642 /nfs/dbraw/zinc/62/66/42/474626642.db2.gz FMBRSHZOKMFQPX-XKGZKEIXSA-N 2 2 340.467 2.926 20 10 EFCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1O ZINC000272819729 474626644 /nfs/dbraw/zinc/62/66/44/474626644.db2.gz FMBRSHZOKMFQPX-XKGZKEIXSA-N 2 2 340.467 2.926 20 10 EFCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704324 /nfs/dbraw/zinc/70/43/24/474704324.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 2 2 337.420 2.519 20 10 EFCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278563395 474704329 /nfs/dbraw/zinc/70/43/29/474704329.db2.gz BPBXFXUUPHLBSR-ZDUSSCGKSA-N 2 2 337.420 2.519 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644135 474752266 /nfs/dbraw/zinc/75/22/66/474752266.db2.gz HSRSZGGSFNISMY-QWRGUYRKSA-N 2 2 332.275 2.595 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644135 474752277 /nfs/dbraw/zinc/75/22/77/474752277.db2.gz HSRSZGGSFNISMY-QWRGUYRKSA-N 2 2 332.275 2.595 20 10 EFCDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285533798 475030239 /nfs/dbraw/zinc/03/02/39/475030239.db2.gz CTVDNBXBVWCVCS-MMNRESRNSA-N 2 2 345.487 2.517 20 10 EFCDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285533798 475030252 /nfs/dbraw/zinc/03/02/52/475030252.db2.gz CTVDNBXBVWCVCS-MMNRESRNSA-N 2 2 345.487 2.517 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CSC[C@@H]3C)CC2)cc1 ZINC000294777529 475083452 /nfs/dbraw/zinc/08/34/52/475083452.db2.gz NKZFCTJOCCPCPA-QFBILLFUSA-N 2 2 349.544 2.548 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375021040 476641721 /nfs/dbraw/zinc/64/17/21/476641721.db2.gz NVYHUSYLJXIYNI-PBHICJAKSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375021040 476641730 /nfs/dbraw/zinc/64/17/30/476641730.db2.gz NVYHUSYLJXIYNI-PBHICJAKSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756366158 575724045 /nfs/dbraw/zinc/72/40/45/575724045.db2.gz FLNYKVINXXNPQU-XQQFMLRXSA-N 2 2 328.403 2.820 20 10 EFCDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756366158 575724047 /nfs/dbraw/zinc/72/40/47/575724047.db2.gz FLNYKVINXXNPQU-XQQFMLRXSA-N 2 2 328.403 2.820 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756366150 575724096 /nfs/dbraw/zinc/72/40/96/575724096.db2.gz FLNYKVINXXNPQU-FRRDWIJNSA-N 2 2 328.403 2.820 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756366150 575724099 /nfs/dbraw/zinc/72/40/99/575724099.db2.gz FLNYKVINXXNPQU-FRRDWIJNSA-N 2 2 328.403 2.820 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647148 576321046 /nfs/dbraw/zinc/32/10/46/576321046.db2.gz DPVROGFUQMUXLV-QWHCGFSZSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647148 576321047 /nfs/dbraw/zinc/32/10/47/576321047.db2.gz DPVROGFUQMUXLV-QWHCGFSZSA-N 2 2 328.403 2.822 20 10 EFCDLP Fc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1N1CCOCC1 ZINC000769313606 577351182 /nfs/dbraw/zinc/35/11/82/577351182.db2.gz UZWTUOYULAUKNO-KRWDZBQOSA-N 2 2 344.434 2.696 20 10 EFCDLP Fc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1N1CCOCC1 ZINC000769313606 577351183 /nfs/dbraw/zinc/35/11/83/577351183.db2.gz UZWTUOYULAUKNO-KRWDZBQOSA-N 2 2 344.434 2.696 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000824761809 1278286576 /nfs/dbraw/zinc/28/65/76/1278286576.db2.gz KKKSCYOWEJDMDS-INIZCTEOSA-N 2 2 337.895 2.566 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000824761809 1278286586 /nfs/dbraw/zinc/28/65/86/1278286586.db2.gz KKKSCYOWEJDMDS-INIZCTEOSA-N 2 2 337.895 2.566 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000825063434 1278402749 /nfs/dbraw/zinc/40/27/49/1278402749.db2.gz DSMHDLQIIJUVHV-JRGCBEDISA-N 2 2 343.515 2.986 20 10 EFCDLP C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000707129996 1275337164 /nfs/dbraw/zinc/33/71/64/1275337164.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@H+](Cc1c(O)cccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000707129996 1275337169 /nfs/dbraw/zinc/33/71/69/1275337169.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1c(O)cccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000707129996 1275337174 /nfs/dbraw/zinc/33/71/74/1275337174.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1c(O)cccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000707129996 1275337179 /nfs/dbraw/zinc/33/71/79/1275337179.db2.gz XAXXROJDGQIVRL-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888167 1276346888 /nfs/dbraw/zinc/34/68/88/1276346888.db2.gz JDYCIMBZOOKJDQ-KRXQYRFLSA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888161 1276346945 /nfs/dbraw/zinc/34/69/45/1276346945.db2.gz JDYCIMBZOOKJDQ-ADAWSYLGSA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817893126 1276362796 /nfs/dbraw/zinc/36/27/96/1276362796.db2.gz FCDNWFBJKRTKKC-OXQOHEQNSA-N 2 2 331.504 2.516 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2F)CC1 ZINC000817902109 1276367015 /nfs/dbraw/zinc/36/70/15/1276367015.db2.gz IGRDCTPYAWCCCD-RBUKOAKNSA-N 3 2 348.510 2.717 20 10 EFCDLP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817940136 1276386067 /nfs/dbraw/zinc/38/60/67/1276386067.db2.gz FRFPCFVGROWRPW-VIFPVBQESA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939142 1276386219 /nfs/dbraw/zinc/38/62/19/1276386219.db2.gz ZNJDKUFQNFOZCL-GUYCJALGSA-N 2 2 327.428 2.832 20 10 EFCDLP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943269 1276389433 /nfs/dbraw/zinc/38/94/33/1276389433.db2.gz SZFIGBJEZXBQAR-WBMJQRKESA-N 2 2 347.484 2.951 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944154 1276390948 /nfs/dbraw/zinc/39/09/48/1276390948.db2.gz XTPXEZXUBKYMRJ-YVEFUNNKSA-N 2 2 343.431 2.594 20 10 EFCDLP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817954799 1276398102 /nfs/dbraw/zinc/39/81/02/1276398102.db2.gz KDZHAGCAXHOVSJ-UWVGGRQHSA-N 2 2 331.229 2.944 20 10 EFCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000817983058 1276421196 /nfs/dbraw/zinc/42/11/96/1276421196.db2.gz JTDQRJCTFJUWBA-IEBWSBKVSA-N 2 2 326.440 2.644 20 10 EFCDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1c(O)cc(O)cc1O ZINC001144515466 1279777729 /nfs/dbraw/zinc/77/77/29/1279777729.db2.gz PNRVKHQUIHBYAG-UHFFFAOYSA-N 2 2 325.368 2.621 20 10 EFCDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1c(O)cc(O)cc1O ZINC001144515466 1279777736 /nfs/dbraw/zinc/77/77/36/1279777736.db2.gz PNRVKHQUIHBYAG-UHFFFAOYSA-N 2 2 325.368 2.621 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000806127871 1280985158 /nfs/dbraw/zinc/98/51/58/1280985158.db2.gz KYFKLRQDMIXFLT-LEWJYISDSA-N 2 2 343.515 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000806127873 1280985852 /nfs/dbraw/zinc/98/58/52/1280985852.db2.gz KYFKLRQDMIXFLT-RTWAWAEBSA-N 2 2 343.515 2.986 20 10 EFCDLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815555445 1287592379 /nfs/dbraw/zinc/59/23/79/1287592379.db2.gz ZSCCSMNDIFBOQE-CYBMUJFWSA-N 2 2 345.409 2.699 20 10 EFCDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791962 1284331480 /nfs/dbraw/zinc/33/14/80/1284331480.db2.gz MGSGJWSHYJPSKV-JTQLQIEISA-N 2 2 331.229 2.725 20 10 EFCDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791962 1284331485 /nfs/dbraw/zinc/33/14/85/1284331485.db2.gz MGSGJWSHYJPSKV-JTQLQIEISA-N 2 2 331.229 2.725 20 10 EFCDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3O)CC1)C2 ZINC001172114745 1286025827 /nfs/dbraw/zinc/02/58/27/1286025827.db2.gz PPGVATDOTAPHBS-ACDBMABISA-N 3 2 343.515 2.962 20 10 EFCDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3O)CC1)C2 ZINC001172114745 1286025830 /nfs/dbraw/zinc/02/58/30/1286025830.db2.gz PPGVATDOTAPHBS-ACDBMABISA-N 3 2 343.515 2.962 20 10 EFCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000814178533 1286360454 /nfs/dbraw/zinc/36/04/54/1286360454.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)c(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000814178533 1286360461 /nfs/dbraw/zinc/36/04/61/1286360461.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000814178533 1286360470 /nfs/dbraw/zinc/36/04/70/1286360470.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000814178533 1286360476 /nfs/dbraw/zinc/36/04/76/1286360476.db2.gz UCKIRQLIXAWIGR-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521419 1288169975 /nfs/dbraw/zinc/16/99/75/1288169975.db2.gz OPKUVPAKVFQCNB-VMGRFDJRSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521419 1288169978 /nfs/dbraw/zinc/16/99/78/1288169978.db2.gz OPKUVPAKVFQCNB-VMGRFDJRSA-N 2 2 342.842 2.868 20 10 EFCDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816528501 1288205003 /nfs/dbraw/zinc/20/50/03/1288205003.db2.gz FTZOPOIFQWOBNL-SFHVURJKSA-N 2 2 328.456 2.992 20 10 EFCDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816528501 1288205006 /nfs/dbraw/zinc/20/50/06/1288205006.db2.gz FTZOPOIFQWOBNL-SFHVURJKSA-N 2 2 328.456 2.992 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000876900809 1291064894 /nfs/dbraw/zinc/06/48/94/1291064894.db2.gz RJNCFUCXCPQKBZ-IRXDYDNUSA-N 2 2 349.544 2.691 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233111530 1312856737 /nfs/dbraw/zinc/85/67/37/1312856737.db2.gz SGAAHFLUOXVTMU-KBPBESRZSA-N 2 2 339.277 2.847 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000879463707 1292146162 /nfs/dbraw/zinc/14/61/62/1292146162.db2.gz NGSKLRKBGCAFBT-QGZVFWFLSA-N 2 2 347.503 2.700 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000879463707 1292146168 /nfs/dbraw/zinc/14/61/68/1292146168.db2.gz NGSKLRKBGCAFBT-QGZVFWFLSA-N 2 2 347.503 2.700 20 10 EFCDLP C[N@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233483078 1312940018 /nfs/dbraw/zinc/94/00/18/1312940018.db2.gz NBWVXYMXLJAHJL-UHFFFAOYSA-N 2 2 342.439 2.900 20 10 EFCDLP C[N@@H+](Cc1cc(O)c(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233483078 1312940021 /nfs/dbraw/zinc/94/00/21/1312940021.db2.gz NBWVXYMXLJAHJL-UHFFFAOYSA-N 2 2 342.439 2.900 20 10 EFCDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@H]2C1 ZINC001203650619 1312980998 /nfs/dbraw/zinc/98/09/98/1312980998.db2.gz YAWTTYCXORBDHO-ZIAGYGMSSA-N 2 2 339.277 2.928 20 10 EFCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC000883003159 1293424075 /nfs/dbraw/zinc/42/40/75/1293424075.db2.gz BCFAZLDMHLLXNW-DYVFJYSZSA-N 2 2 342.430 2.897 20 10 EFCDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC000883003159 1293424082 /nfs/dbraw/zinc/42/40/82/1293424082.db2.gz BCFAZLDMHLLXNW-DYVFJYSZSA-N 2 2 342.430 2.897 20 10 EFCDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000883049066 1293442540 /nfs/dbraw/zinc/44/25/40/1293442540.db2.gz CIINWIHBVDUHCI-IAGOWNOFSA-N 2 2 340.414 2.528 20 10 EFCDLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203881042 1313040296 /nfs/dbraw/zinc/04/02/96/1313040296.db2.gz KXYCTSNKPRQAGF-UHFFFAOYSA-N 2 2 349.519 2.728 20 10 EFCDLP COCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001204327383 1313123557 /nfs/dbraw/zinc/12/35/57/1313123557.db2.gz RSJBVCVOEUJHTN-UHFFFAOYSA-N 2 2 331.504 2.829 20 10 EFCDLP COCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001204327383 1313123559 /nfs/dbraw/zinc/12/35/59/1313123559.db2.gz RSJBVCVOEUJHTN-UHFFFAOYSA-N 2 2 331.504 2.829 20 10 EFCDLP COc1cc(C)c(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c(O)c1 ZINC001204839837 1313202080 /nfs/dbraw/zinc/20/20/80/1313202080.db2.gz IUAUYHZRTXVXTF-UHFFFAOYSA-N 2 2 327.428 2.735 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](O)C2)c(O)c1 ZINC001204954670 1313214971 /nfs/dbraw/zinc/21/49/71/1313214971.db2.gz HUMBNLSZWOLNOI-MJGOQNOKSA-N 2 2 349.519 2.693 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](O)C2)c(O)c1 ZINC001204954670 1313214973 /nfs/dbraw/zinc/21/49/73/1313214973.db2.gz HUMBNLSZWOLNOI-MJGOQNOKSA-N 2 2 349.519 2.693 20 10 EFCDLP Oc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247658 /nfs/dbraw/zinc/24/76/58/1296247658.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247667 /nfs/dbraw/zinc/24/76/67/1296247667.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247678 /nfs/dbraw/zinc/24/76/78/1296247678.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 2 2 326.444 2.603 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275267476 1296247687 /nfs/dbraw/zinc/24/76/87/1296247687.db2.gz PIGMONUSOJXQGB-LJQANCHMSA-N 2 2 326.444 2.603 20 10 EFCDLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cc(F)c1O)CC2 ZINC001235066806 1313234337 /nfs/dbraw/zinc/23/43/37/1313234337.db2.gz NVOIOYHIMYVDKO-UHFFFAOYSA-N 2 2 343.240 2.821 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235401453 1313312431 /nfs/dbraw/zinc/31/24/31/1313312431.db2.gz GQPWDPAYSFWQNH-SJORKVTESA-N 2 2 325.859 2.930 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235401453 1313312436 /nfs/dbraw/zinc/31/24/36/1313312436.db2.gz GQPWDPAYSFWQNH-SJORKVTESA-N 2 2 325.859 2.930 20 10 EFCDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856511 1313366502 /nfs/dbraw/zinc/36/65/02/1313366502.db2.gz WERVANLGOFPINB-DGCLKSJQSA-N 2 2 332.366 2.893 20 10 EFCDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205856511 1313366505 /nfs/dbraw/zinc/36/65/05/1313366505.db2.gz WERVANLGOFPINB-DGCLKSJQSA-N 2 2 332.366 2.893 20 10 EFCDLP CC[N@H+](Cc1cc(OC)c(Br)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236008160 1313430665 /nfs/dbraw/zinc/43/06/65/1313430665.db2.gz FADYYIJTRCWTAL-GFCCVEGCSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@@H+](Cc1cc(OC)c(Br)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236008160 1313430667 /nfs/dbraw/zinc/43/06/67/1313430667.db2.gz FADYYIJTRCWTAL-GFCCVEGCSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010909 1313431559 /nfs/dbraw/zinc/43/15/59/1313431559.db2.gz UEQXPQQJUZPVIA-CYBMUJFWSA-N 2 2 332.366 2.907 20 10 EFCDLP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236010909 1313431561 /nfs/dbraw/zinc/43/15/61/1313431561.db2.gz UEQXPQQJUZPVIA-CYBMUJFWSA-N 2 2 332.366 2.907 20 10 EFCDLP Oc1cc(Br)cc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322104 1313468971 /nfs/dbraw/zinc/46/89/71/1313468971.db2.gz POQGDNOPTURRDO-PHIMTYICSA-N 2 2 343.240 2.725 20 10 EFCDLP Oc1cc(Br)cc(F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322104 1313468972 /nfs/dbraw/zinc/46/89/72/1313468972.db2.gz POQGDNOPTURRDO-PHIMTYICSA-N 2 2 343.240 2.725 20 10 EFCDLP CC(C)[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC001236529093 1313488820 /nfs/dbraw/zinc/48/88/20/1313488820.db2.gz MRCVRBJGXZGITR-INIZCTEOSA-N 2 2 337.895 2.749 20 10 EFCDLP CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC001236529093 1313488822 /nfs/dbraw/zinc/48/88/22/1313488822.db2.gz MRCVRBJGXZGITR-INIZCTEOSA-N 2 2 337.895 2.749 20 10 EFCDLP CC(C)[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC001236529097 1313488871 /nfs/dbraw/zinc/48/88/71/1313488871.db2.gz MRCVRBJGXZGITR-MRXNPFEDSA-N 2 2 337.895 2.749 20 10 EFCDLP CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC001236529097 1313488873 /nfs/dbraw/zinc/48/88/73/1313488873.db2.gz MRCVRBJGXZGITR-MRXNPFEDSA-N 2 2 337.895 2.749 20 10 EFCDLP CCN(CC)c1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1F ZINC000903972006 1313519344 /nfs/dbraw/zinc/51/93/44/1313519344.db2.gz FPUDYZFKVAHNMV-QGZVFWFLSA-N 2 2 349.494 2.920 20 10 EFCDLP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236786460 1313528223 /nfs/dbraw/zinc/52/82/23/1313528223.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236786460 1313528227 /nfs/dbraw/zinc/52/82/27/1313528227.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236786460 1313528231 /nfs/dbraw/zinc/52/82/31/1313528231.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236786460 1313528235 /nfs/dbraw/zinc/52/82/35/1313528235.db2.gz DPHWRAAXBVLHGY-KDURUIRLSA-N 2 2 337.467 2.913 20 10 EFCDLP C[N@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236929181 1313555294 /nfs/dbraw/zinc/55/52/94/1313555294.db2.gz AKEWWDTVIHPWGQ-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP C[N@@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236929181 1313555297 /nfs/dbraw/zinc/55/52/97/1313555297.db2.gz AKEWWDTVIHPWGQ-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237091356 1313584651 /nfs/dbraw/zinc/58/46/51/1313584651.db2.gz ZESKTTSMDXBPNP-UHFFFAOYSA-N 2 2 326.282 2.653 20 10 EFCDLP CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237091356 1313584653 /nfs/dbraw/zinc/58/46/53/1313584653.db2.gz ZESKTTSMDXBPNP-UHFFFAOYSA-N 2 2 326.282 2.653 20 10 EFCDLP Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394865 1313636117 /nfs/dbraw/zinc/63/61/17/1313636117.db2.gz WPKLPUMZYRUORA-RISCZKNCSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394865 1313636121 /nfs/dbraw/zinc/63/61/21/1313636121.db2.gz WPKLPUMZYRUORA-RISCZKNCSA-N 2 2 325.250 2.729 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237684428 1313691551 /nfs/dbraw/zinc/69/15/51/1313691551.db2.gz KMEXQMYIFFSVTP-KBPBESRZSA-N 2 2 339.277 2.847 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000800965165 1308754409 /nfs/dbraw/zinc/75/44/09/1308754409.db2.gz DSMHDLQIIJUVHV-WMQCIHAUSA-N 2 2 343.515 2.986 20 10 EFCDLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(O)ccc4c(C)cc(=O)oc43)(C1)CCC2 ZINC001276826088 1311049059 /nfs/dbraw/zinc/04/90/59/1311049059.db2.gz HMEGFDAIDGIGCL-VQTJNVASSA-N 2 2 342.439 2.961 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276826842 1311070651 /nfs/dbraw/zinc/07/06/51/1311070651.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 2 2 342.439 2.725 20 10 EFCDLP Cc1cc(C)c(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c(O)c1 ZINC001231844746 1312573223 /nfs/dbraw/zinc/57/32/23/1312573223.db2.gz OYPANTPFTQZHBB-UHFFFAOYSA-N 2 2 338.411 2.800 20 10 EFCDLP Cc1cc(C)c(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c(O)c1 ZINC001231844746 1312573226 /nfs/dbraw/zinc/57/32/26/1312573226.db2.gz OYPANTPFTQZHBB-UHFFFAOYSA-N 2 2 338.411 2.800 20 10 EFCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199063 1312647249 /nfs/dbraw/zinc/64/72/49/1312647249.db2.gz BCKSZNAOXKCRQZ-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199063 1312647252 /nfs/dbraw/zinc/64/72/52/1312647252.db2.gz BCKSZNAOXKCRQZ-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199063 1312647256 /nfs/dbraw/zinc/64/72/56/1312647256.db2.gz BCKSZNAOXKCRQZ-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199063 1312647259 /nfs/dbraw/zinc/64/72/59/1312647259.db2.gz BCKSZNAOXKCRQZ-IBGZPJMESA-N 2 2 349.906 2.704 20 10 EFCDLP COCC[N@H+](Cc1cc(Cl)c(OC)cc1O)C1CC[NH+](C)CC1 ZINC001232264731 1312662346 /nfs/dbraw/zinc/66/23/46/1312662346.db2.gz LRZFMLXESBLJEB-UHFFFAOYSA-N 2 2 342.867 2.597 20 10 EFCDLP COCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C1CC[NH+](C)CC1 ZINC001232264731 1312662349 /nfs/dbraw/zinc/66/23/49/1312662349.db2.gz LRZFMLXESBLJEB-UHFFFAOYSA-N 2 2 342.867 2.597 20 10 EFCDLP [NH3+][C@H](Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)c1ccccc1O ZINC001249338790 1315056131 /nfs/dbraw/zinc/05/61/31/1315056131.db2.gz CDZMTEWCIWXSMZ-MRXNPFEDSA-N 2 2 347.378 2.870 20 10 EFCDLP O=C1C[C@H]2CC([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)C[C@@H]2C1 ZINC001254933904 1315760676 /nfs/dbraw/zinc/76/06/76/1315760676.db2.gz HCZNBKBPLVTKBM-HZPDHXFCSA-N 2 2 328.456 2.704 20 10 EFCDLP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)O1 ZINC001319704830 1328956940 /nfs/dbraw/zinc/95/69/40/1328956940.db2.gz DAGQERFHYUBJIM-RDJZCZTQSA-N 2 2 335.467 2.577 20 10 EFCDLP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)O1 ZINC001319704830 1328956943 /nfs/dbraw/zinc/95/69/43/1328956943.db2.gz DAGQERFHYUBJIM-RDJZCZTQSA-N 2 2 335.467 2.577 20 10 EFCDLP Cc1ncsc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323309041 1329533849 /nfs/dbraw/zinc/53/38/49/1329533849.db2.gz CRRHPXUYVSJBPU-UHFFFAOYSA-N 2 2 348.491 2.974 20 10 EFCDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160269 1330674776 /nfs/dbraw/zinc/67/47/76/1330674776.db2.gz ZGWJFVVWWXGXAH-AWEZNQCLSA-N 2 2 341.446 2.621 20 10 EFCDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160269 1330674778 /nfs/dbraw/zinc/67/47/78/1330674778.db2.gz ZGWJFVVWWXGXAH-AWEZNQCLSA-N 2 2 341.446 2.621 20 10 EFCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160270 1330674852 /nfs/dbraw/zinc/67/48/52/1330674852.db2.gz ZGWJFVVWWXGXAH-CQSZACIVSA-N 2 2 341.446 2.621 20 10 EFCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001329160270 1330674854 /nfs/dbraw/zinc/67/48/54/1330674854.db2.gz ZGWJFVVWWXGXAH-CQSZACIVSA-N 2 2 341.446 2.621 20 10 EFCDLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1OC ZINC001352015609 1333353333 /nfs/dbraw/zinc/35/33/33/1333353333.db2.gz HCFIWXXNUUOKCS-AWEZNQCLSA-N 2 2 345.443 2.598 20 10 EFCDLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1OC ZINC001352015609 1333353335 /nfs/dbraw/zinc/35/33/35/1333353335.db2.gz HCFIWXXNUUOKCS-AWEZNQCLSA-N 2 2 345.443 2.598 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848552949 1334791454 /nfs/dbraw/zinc/79/14/54/1334791454.db2.gz GRABUTANGHNDJL-UTKZUKDTSA-N 2 2 345.531 2.835 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000848929130 1334993931 /nfs/dbraw/zinc/99/39/31/1334993931.db2.gz AXGRKEOHPODVQW-KRWDZBQOSA-N 2 2 335.467 2.578 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000848929130 1334993935 /nfs/dbraw/zinc/99/39/35/1334993935.db2.gz AXGRKEOHPODVQW-KRWDZBQOSA-N 2 2 335.467 2.578 20 10 EFCDLP CC[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000806127436 713448864 /nfs/dbraw/zinc/44/88/64/713448864.db2.gz FALSQAXXLXIOAX-PXNSSMCTSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000179631764 717815723 /nfs/dbraw/zinc/81/57/23/717815723.db2.gz RYCVEPYKRWUHJT-NSHDSACASA-N 2 2 343.265 2.547 20 10 EFCDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000179631764 717815726 /nfs/dbraw/zinc/81/57/26/717815726.db2.gz RYCVEPYKRWUHJT-NSHDSACASA-N 2 2 343.265 2.547 20 10 EFCDLP C[C@@H](C[NH2+]Cc1cccc(Br)c1O)C[NH+]1CCCC1 ZINC000060942133 728450965 /nfs/dbraw/zinc/45/09/65/728450965.db2.gz LGRSJAVYDGMCNV-LBPRGKRZSA-N 2 2 327.266 2.976 20 10 EFCDLP [NH3+][C@@H](C[NH2+]Cc1cccc(Br)c1O)CC(F)(F)F ZINC001580132982 1090784503 /nfs/dbraw/zinc/78/45/03/1090784503.db2.gz SMVIYNHIHPFWBL-MRVPVSSYSA-N 2 2 327.144 2.524 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC001580885583 1091034755 /nfs/dbraw/zinc/03/47/55/1091034755.db2.gz FSXOEIKYOASVDY-LBPRGKRZSA-N 2 2 329.213 2.526 20 10 EFCDLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CCO1 ZINC001168094828 1103177099 /nfs/dbraw/zinc/17/70/99/1103177099.db2.gz ZQAWINFNWBXRBR-UYVJDWJCSA-N 2 2 342.439 2.996 20 10 EFCDLP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450874 1108944206 /nfs/dbraw/zinc/94/42/06/1108944206.db2.gz UPJSHLAKZAALGR-FQEVSTJZSA-N 2 2 332.536 2.818 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667241 240308511 /nfs/dbraw/zinc/30/85/11/240308511.db2.gz HKDGIJYNKBDKLU-STQMWFEESA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667241 240308521 /nfs/dbraw/zinc/30/85/21/240308521.db2.gz HKDGIJYNKBDKLU-STQMWFEESA-N 2 2 325.250 2.871 20 10 EFCDLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1N(C)C ZINC000294362494 241044934 /nfs/dbraw/zinc/04/49/34/241044934.db2.gz ZZAFUTJFHMEPPZ-LJQANCHMSA-N 2 2 331.504 2.605 20 10 EFCDLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1N(C)C ZINC000294362494 241044940 /nfs/dbraw/zinc/04/49/40/241044940.db2.gz ZZAFUTJFHMEPPZ-LJQANCHMSA-N 2 2 331.504 2.605 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715358 242306583 /nfs/dbraw/zinc/30/65/83/242306583.db2.gz DFABYKLSQIJDIK-WPGHFRTFSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715358 242306587 /nfs/dbraw/zinc/30/65/87/242306587.db2.gz DFABYKLSQIJDIK-WPGHFRTFSA-N 2 2 342.842 2.868 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000090003494 472579369 /nfs/dbraw/zinc/57/93/69/472579369.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N 2 2 345.418 2.922 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000090003494 472579371 /nfs/dbraw/zinc/57/93/71/472579371.db2.gz ZHXLMYMVHSHJNH-AWEZNQCLSA-N 2 2 345.418 2.922 20 10 EFCDLP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)N1CC[NH+](C)CC1 ZINC000185365941 473406359 /nfs/dbraw/zinc/40/63/59/473406359.db2.gz GTWDTKVGDYTZFI-NEPJUHHUSA-N 2 2 346.302 2.986 20 10 EFCDLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)N1CC[NH+](C)CC1 ZINC000191197422 473505078 /nfs/dbraw/zinc/50/50/78/473505078.db2.gz WQKSSYUWGWVBTI-BBRMVZONSA-N 2 2 341.446 2.593 20 10 EFCDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000185871412 473534807 /nfs/dbraw/zinc/53/48/07/473534807.db2.gz ZCVKCHQQMIJOGF-GFCCVEGCSA-N 2 2 346.302 2.815 20 10 EFCDLP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287695889 473736602 /nfs/dbraw/zinc/73/66/02/473736602.db2.gz NJWOSYQBBGSXTQ-BBRMVZONSA-N 2 2 325.884 2.722 20 10 EFCDLP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287731538 473746639 /nfs/dbraw/zinc/74/66/39/473746639.db2.gz PDKQSEOFXURHFV-XJKSGUPXSA-N 2 2 325.884 2.722 20 10 EFCDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278272293 474605543 /nfs/dbraw/zinc/60/55/43/474605543.db2.gz RVMSTEYMZHULEV-UHFFFAOYSA-N 2 2 337.420 2.615 20 10 EFCDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278272293 474605552 /nfs/dbraw/zinc/60/55/52/474605552.db2.gz RVMSTEYMZHULEV-UHFFFAOYSA-N 2 2 337.420 2.615 20 10 EFCDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551521 474617264 /nfs/dbraw/zinc/61/72/64/474617264.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 2 2 325.250 2.681 20 10 EFCDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551521 474617270 /nfs/dbraw/zinc/61/72/70/474617270.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551521 474617273 /nfs/dbraw/zinc/61/72/73/474617273.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000272551521 474617278 /nfs/dbraw/zinc/61/72/78/474617278.db2.gz DAAGQNIRDMXMCT-RISCZKNCSA-N 2 2 325.250 2.681 20 10 EFCDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1O ZINC000272819719 474626741 /nfs/dbraw/zinc/62/67/41/474626741.db2.gz FMBRSHZOKMFQPX-HQRMLTQVSA-N 2 2 340.467 2.926 20 10 EFCDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1O ZINC000272819719 474626744 /nfs/dbraw/zinc/62/67/44/474626744.db2.gz FMBRSHZOKMFQPX-HQRMLTQVSA-N 2 2 340.467 2.926 20 10 EFCDLP COc1c(O)c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278573681 474713095 /nfs/dbraw/zinc/71/30/95/474713095.db2.gz DEULRVPGGQCSBR-CQSZACIVSA-N 2 2 339.436 2.765 20 10 EFCDLP Cc1cc(O)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000293205079 474866634 /nfs/dbraw/zinc/86/66/34/474866634.db2.gz XYMSBTWZSFQBQI-HXUWFJFHSA-N 2 2 340.467 2.518 20 10 EFCDLP Cc1cc(O)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C ZINC000293205079 474866641 /nfs/dbraw/zinc/86/66/41/474866641.db2.gz XYMSBTWZSFQBQI-HXUWFJFHSA-N 2 2 340.467 2.518 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000273584547 474976100 /nfs/dbraw/zinc/97/61/00/474976100.db2.gz NNBPZQNWSKANKE-CYBMUJFWSA-N 2 2 331.416 2.815 20 10 EFCDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1C ZINC000273604022 474986380 /nfs/dbraw/zinc/98/63/80/474986380.db2.gz SOEZMHSRAWLFMH-WMZOPIPTSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1C ZINC000273604022 474986383 /nfs/dbraw/zinc/98/63/83/474986383.db2.gz SOEZMHSRAWLFMH-WMZOPIPTSA-N 2 2 347.503 2.602 20 10 EFCDLP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285760297 475040626 /nfs/dbraw/zinc/04/06/26/475040626.db2.gz SDCQUKHQEDEIHA-QZTJIDSGSA-N 2 2 337.483 2.844 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879914 475048070 /nfs/dbraw/zinc/04/80/70/475048070.db2.gz HQCJMEJAVPBHOB-XLIONFOSSA-N 2 2 330.520 2.573 20 10 EFCDLP C[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624440 476480826 /nfs/dbraw/zinc/48/08/26/476480826.db2.gz JSJYVPHDCOLVAX-OAHLLOKOSA-N 2 2 337.895 2.646 20 10 EFCDLP C[N@@H+](Cc1c(O)cccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624440 476480829 /nfs/dbraw/zinc/48/08/29/476480829.db2.gz JSJYVPHDCOLVAX-OAHLLOKOSA-N 2 2 337.895 2.646 20 10 EFCDLP CN(Cc1c(O)cccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377624440 476480834 /nfs/dbraw/zinc/48/08/34/476480834.db2.gz JSJYVPHDCOLVAX-OAHLLOKOSA-N 2 2 337.895 2.646 20 10 EFCDLP CN(Cc1c(O)cccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377624440 476480839 /nfs/dbraw/zinc/48/08/39/476480839.db2.gz JSJYVPHDCOLVAX-OAHLLOKOSA-N 2 2 337.895 2.646 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000756361577 575723263 /nfs/dbraw/zinc/72/32/63/575723263.db2.gz KGUMTNAFSVERBY-HNNXBMFYSA-N 2 2 334.460 2.951 20 10 EFCDLP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(F)cc(F)c1O ZINC000756531964 575756272 /nfs/dbraw/zinc/75/62/72/575756272.db2.gz BYRMZKVRKSCUFE-CYBMUJFWSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(F)c1O ZINC000756531964 575756274 /nfs/dbraw/zinc/75/62/74/575756274.db2.gz BYRMZKVRKSCUFE-CYBMUJFWSA-N 2 2 341.446 2.595 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1O ZINC000756764904 575785184 /nfs/dbraw/zinc/78/51/84/575785184.db2.gz LPVXDEVVJXZAKB-YMRXKLBXSA-N 2 2 340.414 2.699 20 10 EFCDLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781184 577076313 /nfs/dbraw/zinc/07/63/13/577076313.db2.gz OBJWXSGJWFTIEF-ZBFHGGJFSA-N 2 2 333.451 2.550 20 10 EFCDLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765781184 577076317 /nfs/dbraw/zinc/07/63/17/577076317.db2.gz OBJWXSGJWFTIEF-ZBFHGGJFSA-N 2 2 333.451 2.550 20 10 EFCDLP CCN(C)c1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000773758264 581462000 /nfs/dbraw/zinc/46/20/00/581462000.db2.gz QAKJSZJQPQOKSD-UHFFFAOYSA-N 2 2 340.471 2.869 20 10 EFCDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557746 1250536340 /nfs/dbraw/zinc/53/63/40/1250536340.db2.gz SDWBYCLMQHGQTN-INWMFGNUSA-N 2 2 334.435 2.923 20 10 EFCDLP C[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCC[NH+](C)C1 ZINC000705213032 1273992913 /nfs/dbraw/zinc/99/29/13/1273992913.db2.gz RPHWTHQUMWLWKM-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@H+](Cc1ccc(Br)cc1O)C[C@H]1CCC[NH+](C)C1 ZINC000705213032 1273992926 /nfs/dbraw/zinc/99/29/26/1273992926.db2.gz RPHWTHQUMWLWKM-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1ccc(Br)cc1O)C[C@H]1CCC[N@H+](C)C1 ZINC000705213032 1273992933 /nfs/dbraw/zinc/99/29/33/1273992933.db2.gz RPHWTHQUMWLWKM-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1ccc(Br)cc1O)C[C@H]1CCC[N@@H+](C)C1 ZINC000705213032 1273992939 /nfs/dbraw/zinc/99/29/39/1273992939.db2.gz RPHWTHQUMWLWKM-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000788576471 1276230415 /nfs/dbraw/zinc/23/04/15/1276230415.db2.gz LIMOPQQGIDIUGA-UHFFFAOYSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817888164 1276346760 /nfs/dbraw/zinc/34/67/60/1276346760.db2.gz JDYCIMBZOOKJDQ-BSXFFOKHSA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817967418 1276410637 /nfs/dbraw/zinc/41/06/37/1276410637.db2.gz HXHZIXBEIXWYCC-SECBINFHSA-N 2 2 329.213 2.864 20 10 EFCDLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1O ZINC000817940331 1276385557 /nfs/dbraw/zinc/38/55/57/1276385557.db2.gz GBBQOKSYEXIJOD-SUMWQHHRSA-N 2 2 329.444 2.817 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000817939143 1276385999 /nfs/dbraw/zinc/38/59/99/1276385999.db2.gz ZNJDKUFQNFOZCL-SUMWQHHRSA-N 2 2 327.428 2.832 20 10 EFCDLP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817940135 1276386082 /nfs/dbraw/zinc/38/60/82/1276386082.db2.gz FRFPCFVGROWRPW-SECBINFHSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)OCCO2 ZINC000817938262 1276386189 /nfs/dbraw/zinc/38/61/89/1276386189.db2.gz HOBYRRNONOXFCQ-KSSFIOAISA-N 2 2 341.455 2.874 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817945426 1276390897 /nfs/dbraw/zinc/39/08/97/1276390897.db2.gz COFFUTZGYWUYRF-NXEZZACHSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817954800 1276397487 /nfs/dbraw/zinc/39/74/87/1276397487.db2.gz KDZHAGCAXHOVSJ-VHSXEESVSA-N 2 2 331.229 2.944 20 10 EFCDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509126 1279768735 /nfs/dbraw/zinc/76/87/35/1279768735.db2.gz LMOJXJSJBRVNML-UHFFFAOYSA-N 2 2 342.439 2.900 20 10 EFCDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509126 1279768743 /nfs/dbraw/zinc/76/87/43/1279768743.db2.gz LMOJXJSJBRVNML-UHFFFAOYSA-N 2 2 342.439 2.900 20 10 EFCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815563482 1287596288 /nfs/dbraw/zinc/59/62/88/1287596288.db2.gz DKDCZMIUJORZCX-RYUDHWBXSA-N 2 2 332.366 2.518 20 10 EFCDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715793484 1284332760 /nfs/dbraw/zinc/33/27/60/1284332760.db2.gz VYZBUDUACCHPNV-JTQLQIEISA-N 2 2 331.229 2.725 20 10 EFCDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715793484 1284332768 /nfs/dbraw/zinc/33/27/68/1284332768.db2.gz VYZBUDUACCHPNV-JTQLQIEISA-N 2 2 331.229 2.725 20 10 EFCDLP CCOCC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172408150 1286126199 /nfs/dbraw/zinc/12/61/99/1286126199.db2.gz FSKCFXUKNVZDEO-GOSISDBHSA-N 2 2 349.519 2.612 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000877619455 1291293251 /nfs/dbraw/zinc/29/32/51/1291293251.db2.gz ZJULXFZKUWQJFB-SFTDATJTSA-N 2 2 343.515 2.754 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000877619455 1291293256 /nfs/dbraw/zinc/29/32/56/1291293256.db2.gz ZJULXFZKUWQJFB-SFTDATJTSA-N 2 2 343.515 2.754 20 10 EFCDLP CC[NH+](CC)CCCN1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335443 1312906190 /nfs/dbraw/zinc/90/61/90/1312906190.db2.gz VNPRWKMJMWGEQV-UHFFFAOYSA-N 2 2 341.446 2.520 20 10 EFCDLP CCOc1cccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)c1O ZINC001203613917 1312971419 /nfs/dbraw/zinc/97/14/19/1312971419.db2.gz JXOYSJRCQMKEPD-GOSISDBHSA-N 2 2 348.487 2.866 20 10 EFCDLP CCOc1cccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c1O ZINC001203613917 1312971421 /nfs/dbraw/zinc/97/14/21/1312971421.db2.gz JXOYSJRCQMKEPD-GOSISDBHSA-N 2 2 348.487 2.866 20 10 EFCDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(O)c(O)c4)C[C@H]3C2)cc1 ZINC001203878464 1313039704 /nfs/dbraw/zinc/03/97/04/1313039704.db2.gz UTIOASLMUGGZCZ-RTBURBONSA-N 2 2 338.451 2.970 20 10 EFCDLP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(O)c1O ZINC001204342010 1313126358 /nfs/dbraw/zinc/12/63/58/1313126358.db2.gz IOYGBXLJRZTSME-MRXNPFEDSA-N 2 2 334.460 2.947 20 10 EFCDLP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(O)c1O ZINC001204342010 1313126360 /nfs/dbraw/zinc/12/63/60/1313126360.db2.gz IOYGBXLJRZTSME-MRXNPFEDSA-N 2 2 334.460 2.947 20 10 EFCDLP CN1CCCc2cc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)ccc21 ZINC001235225209 1313268075 /nfs/dbraw/zinc/26/80/75/1313268075.db2.gz RDFTWBUWVAPIHZ-RDJZCZTQSA-N 2 2 339.405 2.653 20 10 EFCDLP CN1CCCc2cc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)ccc21 ZINC001235225209 1313268078 /nfs/dbraw/zinc/26/80/78/1313268078.db2.gz RDFTWBUWVAPIHZ-RDJZCZTQSA-N 2 2 339.405 2.653 20 10 EFCDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(Br)c3O)C[C@@H]2C1 ZINC001235293636 1313283217 /nfs/dbraw/zinc/28/32/17/1313283217.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 2 2 343.240 2.677 20 10 EFCDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(Br)c3O)C[C@@H]2C1 ZINC001235293636 1313283221 /nfs/dbraw/zinc/28/32/21/1313283221.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 2 2 343.240 2.677 20 10 EFCDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]2C1 ZINC001235293636 1313283225 /nfs/dbraw/zinc/28/32/25/1313283225.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 2 2 343.240 2.677 20 10 EFCDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]2C1 ZINC001235293636 1313283229 /nfs/dbraw/zinc/28/32/29/1313283229.db2.gz KEUDILPALSTKIU-PWSUYJOCSA-N 2 2 343.240 2.677 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(OC)c1 ZINC001205770772 1313353130 /nfs/dbraw/zinc/35/31/30/1313353130.db2.gz NYVJFOMKTQWAQK-OAHLLOKOSA-N 2 2 341.446 2.957 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(OC)c1 ZINC001205770772 1313353135 /nfs/dbraw/zinc/35/31/35/1313353135.db2.gz NYVJFOMKTQWAQK-OAHLLOKOSA-N 2 2 341.446 2.957 20 10 EFCDLP COCCC[N@H+](Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001235807254 1313401768 /nfs/dbraw/zinc/40/17/68/1313401768.db2.gz NMZGGIBGODRWKZ-LJQANCHMSA-N 2 2 331.504 2.660 20 10 EFCDLP COCCC[N@@H+](Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001235807254 1313401773 /nfs/dbraw/zinc/40/17/73/1313401773.db2.gz NMZGGIBGODRWKZ-LJQANCHMSA-N 2 2 331.504 2.660 20 10 EFCDLP COCCC[N@H+](Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]C1 ZINC001235807252 1313401843 /nfs/dbraw/zinc/40/18/43/1313401843.db2.gz NMZGGIBGODRWKZ-IBGZPJMESA-N 2 2 331.504 2.660 20 10 EFCDLP COCCC[N@@H+](Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]C1 ZINC001235807252 1313401846 /nfs/dbraw/zinc/40/18/46/1313401846.db2.gz NMZGGIBGODRWKZ-IBGZPJMESA-N 2 2 331.504 2.660 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCC[NH2+]C1 ZINC001235810510 1313402695 /nfs/dbraw/zinc/40/26/95/1313402695.db2.gz PMCUSZKFWULHHP-INIZCTEOSA-N 2 2 326.868 2.945 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCC[NH2+]C1 ZINC001235810510 1313402698 /nfs/dbraw/zinc/40/26/98/1313402698.db2.gz PMCUSZKFWULHHP-INIZCTEOSA-N 2 2 326.868 2.945 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+](CCOC)C2CC[NH2+]CC2)c(OC)c1 ZINC001235944301 1313421222 /nfs/dbraw/zinc/42/12/22/1313421222.db2.gz MLTTVVKVGMEBRB-UHFFFAOYSA-N 2 2 349.519 2.742 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)c(OC)c1 ZINC001235944301 1313421223 /nfs/dbraw/zinc/42/12/23/1313421223.db2.gz MLTTVVKVGMEBRB-UHFFFAOYSA-N 2 2 349.519 2.742 20 10 EFCDLP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205592 1313455169 /nfs/dbraw/zinc/45/51/69/1313455169.db2.gz IDGZRERUEBGUBH-HNNXBMFYSA-N 2 2 332.366 2.907 20 10 EFCDLP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205592 1313455172 /nfs/dbraw/zinc/45/51/72/1313455172.db2.gz IDGZRERUEBGUBH-HNNXBMFYSA-N 2 2 332.366 2.907 20 10 EFCDLP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207536 1313455842 /nfs/dbraw/zinc/45/58/42/1313455842.db2.gz QYIGJBHMCMRHCG-GOSISDBHSA-N 2 2 337.895 2.751 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207536 1313455845 /nfs/dbraw/zinc/45/58/45/1313455845.db2.gz QYIGJBHMCMRHCG-GOSISDBHSA-N 2 2 337.895 2.751 20 10 EFCDLP Oc1ccc(Br)cc1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236204 1313458894 /nfs/dbraw/zinc/45/88/94/1313458894.db2.gz IHERTIILQKELQN-CQSZACIVSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1ccc(Br)cc1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236204 1313458897 /nfs/dbraw/zinc/45/88/97/1313458897.db2.gz IHERTIILQKELQN-CQSZACIVSA-N 2 2 325.250 2.871 20 10 EFCDLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324890 1313469967 /nfs/dbraw/zinc/46/99/67/1313469967.db2.gz WHNOVWMTGBPDOS-ZDUSSCGKSA-N 2 2 332.366 2.907 20 10 EFCDLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324890 1313469970 /nfs/dbraw/zinc/46/99/70/1313469970.db2.gz WHNOVWMTGBPDOS-ZDUSSCGKSA-N 2 2 332.366 2.907 20 10 EFCDLP COCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCC[NH2+]C1 ZINC001236329689 1313470718 /nfs/dbraw/zinc/47/07/18/1313470718.db2.gz LQLXYVLLUDAZNJ-MRXNPFEDSA-N 2 2 344.455 2.754 20 10 EFCDLP COCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCC[NH2+]C1 ZINC001236329689 1313470720 /nfs/dbraw/zinc/47/07/20/1313470720.db2.gz LQLXYVLLUDAZNJ-MRXNPFEDSA-N 2 2 344.455 2.754 20 10 EFCDLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786435 1313528807 /nfs/dbraw/zinc/52/88/07/1313528807.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786435 1313528810 /nfs/dbraw/zinc/52/88/10/1313528810.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786435 1313528814 /nfs/dbraw/zinc/52/88/14/1313528814.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 2 2 337.467 2.913 20 10 EFCDLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786435 1313528817 /nfs/dbraw/zinc/52/88/17/1313528817.db2.gz PAHNUTWXCKZBMJ-BGYRXZFFSA-N 2 2 337.467 2.913 20 10 EFCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236931245 1313556099 /nfs/dbraw/zinc/55/60/99/1313556099.db2.gz RHFZOMSXGDECDL-UHFFFAOYSA-N 2 2 348.878 2.895 20 10 EFCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236931245 1313556103 /nfs/dbraw/zinc/55/61/03/1313556103.db2.gz RHFZOMSXGDECDL-UHFFFAOYSA-N 2 2 348.878 2.895 20 10 EFCDLP CCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c1 ZINC001237041128 1313573489 /nfs/dbraw/zinc/57/34/89/1313573489.db2.gz FRUOYGFJIPBNCA-UHFFFAOYSA-N 2 2 342.443 2.520 20 10 EFCDLP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC[NH+](C)CC1 ZINC001237051139 1313576903 /nfs/dbraw/zinc/57/69/03/1313576903.db2.gz HSRLYQOFRYVCAN-UHFFFAOYSA-N 2 2 332.366 2.859 20 10 EFCDLP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC[NH+](C)CC1 ZINC001237051139 1313576907 /nfs/dbraw/zinc/57/69/07/1313576907.db2.gz HSRLYQOFRYVCAN-UHFFFAOYSA-N 2 2 332.366 2.859 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416069 1313641728 /nfs/dbraw/zinc/64/17/28/1313641728.db2.gz RKIUFWRLHKNMFV-YPMHNXCESA-N 2 2 330.350 2.865 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416069 1313641731 /nfs/dbraw/zinc/64/17/31/1313641731.db2.gz RKIUFWRLHKNMFV-YPMHNXCESA-N 2 2 330.350 2.865 20 10 EFCDLP Clc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001237410720 1313640149 /nfs/dbraw/zinc/64/01/49/1313640149.db2.gz CYBKXYWAZKCOEU-AEFFLSMTSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001237410720 1313640152 /nfs/dbraw/zinc/64/01/52/1313640152.db2.gz CYBKXYWAZKCOEU-AEFFLSMTSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001237410725 1313640426 /nfs/dbraw/zinc/64/04/26/1313640426.db2.gz CYBKXYWAZKCOEU-SJLPKXTDSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC001237410725 1313640430 /nfs/dbraw/zinc/64/04/30/1313640430.db2.gz CYBKXYWAZKCOEU-SJLPKXTDSA-N 2 2 349.906 2.751 20 10 EFCDLP COC(=O)c1c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237418127 1313641316 /nfs/dbraw/zinc/64/13/16/1313641316.db2.gz VXJLRTFBAWQORS-PBHICJAKSA-N 2 2 341.455 2.539 20 10 EFCDLP COC(=O)c1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237418127 1313641318 /nfs/dbraw/zinc/64/13/18/1313641318.db2.gz VXJLRTFBAWQORS-PBHICJAKSA-N 2 2 341.455 2.539 20 10 EFCDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369485 1302351388 /nfs/dbraw/zinc/35/13/88/1302351388.db2.gz USYXRJHYFZTKFK-BXUZGUMPSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369485 1302351392 /nfs/dbraw/zinc/35/13/92/1302351392.db2.gz USYXRJHYFZTKFK-BXUZGUMPSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1c(O)cccc1Br ZINC000862369485 1302351406 /nfs/dbraw/zinc/35/14/06/1302351406.db2.gz USYXRJHYFZTKFK-BXUZGUMPSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1c(O)cccc1Br ZINC000862369485 1302351418 /nfs/dbraw/zinc/35/14/18/1302351418.db2.gz USYXRJHYFZTKFK-BXUZGUMPSA-N 2 2 327.266 2.927 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2)CC1 ZINC001222391165 1311123724 /nfs/dbraw/zinc/12/37/24/1311123724.db2.gz YVWVKJWIIOROMZ-OAQYLSRUSA-N 3 2 342.531 2.547 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2)CC1 ZINC001222391165 1311123725 /nfs/dbraw/zinc/12/37/25/1311123725.db2.gz YVWVKJWIIOROMZ-OAQYLSRUSA-N 3 2 342.531 2.547 20 10 EFCDLP Oc1c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001222427920 1311129600 /nfs/dbraw/zinc/12/96/00/1311129600.db2.gz XTGNOYJXXLQKTP-OAQYLSRUSA-N 2 2 341.499 2.809 20 10 EFCDLP Oc1c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001222427920 1311129602 /nfs/dbraw/zinc/12/96/02/1311129602.db2.gz XTGNOYJXXLQKTP-OAQYLSRUSA-N 2 2 341.499 2.809 20 10 EFCDLP [NH3+]CC1(F)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001222548328 1311151000 /nfs/dbraw/zinc/15/10/00/1311151000.db2.gz GSMTWYBPEQODEH-UHFFFAOYSA-N 2 2 335.192 2.557 20 10 EFCDLP Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608779 1311160046 /nfs/dbraw/zinc/16/00/46/1311160046.db2.gz FARPXNIBJGOUKK-HNNXBMFYSA-N 2 2 330.378 2.859 20 10 EFCDLP Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608779 1311160048 /nfs/dbraw/zinc/16/00/48/1311160048.db2.gz FARPXNIBJGOUKK-HNNXBMFYSA-N 2 2 330.378 2.859 20 10 EFCDLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(Br)cc3O)C[C@H]2C1 ZINC001250136232 1315178343 /nfs/dbraw/zinc/17/83/43/1315178343.db2.gz OQQRVLOSOZBHSR-ZIAGYGMSSA-N 2 2 339.277 2.847 20 10 EFCDLP CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255199719 1315790965 /nfs/dbraw/zinc/79/09/65/1315790965.db2.gz PVZLLEFHMHRDIK-IBGZPJMESA-N 2 2 335.467 2.578 20 10 EFCDLP CC[C@@]1(C)COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255199719 1315790969 /nfs/dbraw/zinc/79/09/69/1315790969.db2.gz PVZLLEFHMHRDIK-IBGZPJMESA-N 2 2 335.467 2.578 20 10 EFCDLP COc1ccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001255674193 1315856061 /nfs/dbraw/zinc/85/60/61/1315856061.db2.gz MSAAXQVGGMDIIR-DFNIBXOVSA-N 2 2 329.488 2.833 20 10 EFCDLP COc1ccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001255674193 1315856062 /nfs/dbraw/zinc/85/60/62/1315856062.db2.gz MSAAXQVGGMDIIR-DFNIBXOVSA-N 2 2 329.488 2.833 20 10 EFCDLP COc1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC001257224288 1316049993 /nfs/dbraw/zinc/04/99/93/1316049993.db2.gz WLMJNJVCPKZHSK-UHFFFAOYSA-N 2 2 331.504 2.998 20 10 EFCDLP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccco1 ZINC001318885303 1328731976 /nfs/dbraw/zinc/73/19/76/1328731976.db2.gz VRJPCFWQPQWABK-KRWDZBQOSA-N 2 2 347.434 2.648 20 10 EFCDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c2nccn21 ZINC001324438708 1329627376 /nfs/dbraw/zinc/62/73/76/1329627376.db2.gz OQCQEBURROYIEF-RHSMWYFYSA-N 2 2 343.450 2.570 20 10 EFCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001331418840 1330835390 /nfs/dbraw/zinc/83/53/90/1330835390.db2.gz LLGKHTAYWSZCLF-NRFANRHFSA-N 2 2 349.482 2.943 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848552947 1334791166 /nfs/dbraw/zinc/79/11/66/1334791166.db2.gz GRABUTANGHNDJL-LAUBAEHRSA-N 2 2 345.531 2.835 20 10 EFCDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000048797603 715508188 /nfs/dbraw/zinc/50/81/88/715508188.db2.gz LILJJLWRHGZOIN-LBPRGKRZSA-N 2 2 327.266 2.975 20 10 EFCDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000048797603 715508191 /nfs/dbraw/zinc/50/81/91/715508191.db2.gz LILJJLWRHGZOIN-LBPRGKRZSA-N 2 2 327.266 2.975 20 10 EFCDLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(O)c1OC ZINC000892651528 718375656 /nfs/dbraw/zinc/37/56/56/718375656.db2.gz ZLOYVMWULPLDAG-OAHLLOKOSA-N 2 2 333.432 2.810 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000237273857 723570614 /nfs/dbraw/zinc/57/06/14/723570614.db2.gz ZHJBMUKSXGGLBV-QZTJIDSGSA-N 2 2 331.504 2.986 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CC[NH2+]C3(C)C)cc2F)C[C@H](C)O1 ZINC000925480433 729189704 /nfs/dbraw/zinc/18/97/04/729189704.db2.gz MDILVPPXWFCRMG-IYOUNJFTSA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)cc2F)C[C@H](C)O1 ZINC000925480436 729189744 /nfs/dbraw/zinc/18/97/44/729189744.db2.gz MDILVPPXWFCRMG-QWQRMKEZSA-N 2 2 335.467 2.669 20 10 EFCDLP COC1CCN(c2ccc(C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@@H]3C)cc2)CC1 ZINC001578941051 1090483892 /nfs/dbraw/zinc/48/38/92/1090483892.db2.gz NUVYOUFADVJCQQ-JXXFODFXSA-N 2 2 331.504 2.778 20 10 EFCDLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580888507 1091035442 /nfs/dbraw/zinc/03/54/42/1091035442.db2.gz NKKHVFFDRZIIEC-KTGAGVNESA-N 2 2 349.906 2.883 20 10 EFCDLP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001580888507 1091035448 /nfs/dbraw/zinc/03/54/48/1091035448.db2.gz NKKHVFFDRZIIEC-KTGAGVNESA-N 2 2 349.906 2.883 20 10 EFCDLP C[NH+]1CCN(c2ccc(CNc3ccc4c([nH+]3)CCOC4)cc2)CC1 ZINC001167426466 1101583410 /nfs/dbraw/zinc/58/34/10/1101583410.db2.gz GCGBZHKHJSXERX-UHFFFAOYSA-N 2 2 338.455 2.518 20 10 EFCDLP CN(C)c1ccc([C@H](CNCc2c[nH+]ccc2N(C)C)[NH+](C)C)cc1 ZINC000898450147 1108944240 /nfs/dbraw/zinc/94/42/40/1108944240.db2.gz ONVULVIQGAFTOO-FQEVSTJZSA-N 2 2 341.503 2.606 20 10 EFCDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1O ZINC000237365618 240242381 /nfs/dbraw/zinc/24/23/81/240242381.db2.gz FKKJNHUAAIWKJT-UHFFFAOYSA-N 2 2 327.428 2.550 20 10 EFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000184991964 473294790 /nfs/dbraw/zinc/29/47/90/473294790.db2.gz SWIBOQUYTRMZNW-QFBILLFUSA-N 2 2 340.467 2.770 20 10 EFCDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000184991964 473294798 /nfs/dbraw/zinc/29/47/98/473294798.db2.gz SWIBOQUYTRMZNW-QFBILLFUSA-N 2 2 340.467 2.770 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184992024 473295602 /nfs/dbraw/zinc/29/56/02/473295602.db2.gz SWAMYWXKIVFRQM-KBXCAEBGSA-N 2 2 344.430 2.601 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184992024 473295611 /nfs/dbraw/zinc/29/56/11/473295611.db2.gz SWAMYWXKIVFRQM-KBXCAEBGSA-N 2 2 344.430 2.601 20 10 EFCDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559832 472724763 /nfs/dbraw/zinc/72/47/63/472724763.db2.gz GPVFUDSWQMZUIR-RDJZCZTQSA-N 2 2 335.467 2.797 20 10 EFCDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156559832 472724769 /nfs/dbraw/zinc/72/47/69/472724769.db2.gz GPVFUDSWQMZUIR-RDJZCZTQSA-N 2 2 335.467 2.797 20 10 EFCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000160404990 473119027 /nfs/dbraw/zinc/11/90/27/473119027.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 2 2 331.416 2.689 20 10 EFCDLP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000160404990 473119031 /nfs/dbraw/zinc/11/90/31/473119031.db2.gz YKMGAMGEDFMODZ-HIFRSBDPSA-N 2 2 331.416 2.689 20 10 EFCDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235766 473197748 /nfs/dbraw/zinc/19/77/48/473197748.db2.gz ZVRXYZAMKCMRTN-QGZVFWFLSA-N 2 2 339.439 2.852 20 10 EFCDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccccc3O)c2cc1C ZINC000111235766 473197752 /nfs/dbraw/zinc/19/77/52/473197752.db2.gz ZVRXYZAMKCMRTN-QGZVFWFLSA-N 2 2 339.439 2.852 20 10 EFCDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185392968 473414705 /nfs/dbraw/zinc/41/47/05/473414705.db2.gz ROIRXGGENSJVOH-RYUDHWBXSA-N 2 2 346.302 2.986 20 10 EFCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185393023 473414913 /nfs/dbraw/zinc/41/49/13/473414913.db2.gz ROIRXGGENSJVOH-VXGBXAGGSA-N 2 2 346.302 2.986 20 10 EFCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000191123724 473484920 /nfs/dbraw/zinc/48/49/20/473484920.db2.gz OPUWKBDNTLTASI-LBPRGKRZSA-N 2 2 342.842 2.775 20 10 EFCDLP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191202314 473505866 /nfs/dbraw/zinc/50/58/66/473505866.db2.gz OIQZZOMZEPGCBT-AWEZNQCLSA-N 2 2 341.446 2.739 20 10 EFCDLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1O ZINC000287578058 473699904 /nfs/dbraw/zinc/69/99/04/473699904.db2.gz HFEMFFLOIHHSBE-INIZCTEOSA-N 2 2 326.868 2.933 20 10 EFCDLP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287695907 473736267 /nfs/dbraw/zinc/73/62/67/473736267.db2.gz NJWOSYQBBGSXTQ-XJKSGUPXSA-N 2 2 325.884 2.722 20 10 EFCDLP CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(O)c1 ZINC000275502807 474213068 /nfs/dbraw/zinc/21/30/68/474213068.db2.gz JUGXRBWTDHYCAM-BEFAXECRSA-N 2 2 345.443 2.924 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1O ZINC000276992134 474576209 /nfs/dbraw/zinc/57/62/09/474576209.db2.gz XPBVQMOLQJFDAU-IUIKQTSFSA-N 2 2 340.414 2.699 20 10 EFCDLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cc3c(cc2O)OCO3)CC1 ZINC000290566938 474577230 /nfs/dbraw/zinc/57/72/30/474577230.db2.gz SSRVLUVJHNEHFR-UHFFFAOYSA-N 2 2 344.411 2.810 20 10 EFCDLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cc3c(cc2O)OCO3)CC1 ZINC000290566938 474577233 /nfs/dbraw/zinc/57/72/33/474577233.db2.gz SSRVLUVJHNEHFR-UHFFFAOYSA-N 2 2 344.411 2.810 20 10 EFCDLP COc1c(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202665 474604218 /nfs/dbraw/zinc/60/42/18/474604218.db2.gz JGBYLQQFIWMFKO-AWEZNQCLSA-N 2 2 349.431 2.617 20 10 EFCDLP COc1c(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202665 474604219 /nfs/dbraw/zinc/60/42/19/474604219.db2.gz JGBYLQQFIWMFKO-AWEZNQCLSA-N 2 2 349.431 2.617 20 10 EFCDLP COc1c(O)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000278309678 474606739 /nfs/dbraw/zinc/60/67/39/474606739.db2.gz DUWHXEDXYARIQN-CYBMUJFWSA-N 2 2 337.420 2.663 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644130 474752805 /nfs/dbraw/zinc/75/28/05/474752805.db2.gz HSRSZGGSFNISMY-MNOVXSKESA-N 2 2 332.275 2.595 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644130 474752814 /nfs/dbraw/zinc/75/28/14/474752814.db2.gz HSRSZGGSFNISMY-MNOVXSKESA-N 2 2 332.275 2.595 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000273370064 474862778 /nfs/dbraw/zinc/86/27/78/474862778.db2.gz CGDFDPPTZHIGNF-CYBMUJFWSA-N 2 2 329.400 2.727 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000273370065 474862943 /nfs/dbraw/zinc/86/29/43/474862943.db2.gz CGDFDPPTZHIGNF-ZDUSSCGKSA-N 2 2 329.400 2.727 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000273422100 474890090 /nfs/dbraw/zinc/89/00/90/474890090.db2.gz SKSYBGFZGQDYAE-CYBMUJFWSA-N 2 2 332.444 2.704 20 10 EFCDLP COc1cc(O)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1OC ZINC000285138065 474904330 /nfs/dbraw/zinc/90/43/30/474904330.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 2 2 348.443 2.956 20 10 EFCDLP COc1cc(O)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1OC ZINC000285138065 474904336 /nfs/dbraw/zinc/90/43/36/474904336.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 2 2 348.443 2.956 20 10 EFCDLP COc1cc(O)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1OC ZINC000285138065 474904342 /nfs/dbraw/zinc/90/43/42/474904342.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 2 2 348.443 2.956 20 10 EFCDLP COc1cc(O)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1OC ZINC000285138065 474904347 /nfs/dbraw/zinc/90/43/47/474904347.db2.gz NVURTPOSRWYKHZ-UHFFFAOYSA-N 2 2 348.443 2.956 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879915 475047290 /nfs/dbraw/zinc/04/72/90/475047290.db2.gz HQCJMEJAVPBHOB-YLJYHZDGSA-N 2 2 330.520 2.573 20 10 EFCDLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000286016987 475050196 /nfs/dbraw/zinc/05/01/96/475050196.db2.gz IKVSKYKSPFFJED-KSZLIROESA-N 2 2 336.451 2.950 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373116841 476377712 /nfs/dbraw/zinc/37/77/12/476377712.db2.gz ZPLDKVIZSLYZDU-ZDUSSCGKSA-N 2 2 331.391 2.847 20 10 EFCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373116841 476377713 /nfs/dbraw/zinc/37/77/13/476377713.db2.gz ZPLDKVIZSLYZDU-ZDUSSCGKSA-N 2 2 331.391 2.847 20 10 EFCDLP C[NH2+]Cc1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000583191537 478786844 /nfs/dbraw/zinc/78/68/44/478786844.db2.gz ZZUTWGBRYDFILL-UHFFFAOYSA-N 2 2 339.443 2.559 20 10 EFCDLP C[NH2+]Cc1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000583191537 478786850 /nfs/dbraw/zinc/78/68/50/478786850.db2.gz ZZUTWGBRYDFILL-UHFFFAOYSA-N 2 2 339.443 2.559 20 10 EFCDLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000756399522 575731116 /nfs/dbraw/zinc/73/11/16/575731116.db2.gz QLMSGUXUPJCGSC-SUMWQHHRSA-N 2 2 341.446 2.593 20 10 EFCDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1O ZINC000756459914 575742646 /nfs/dbraw/zinc/74/26/46/575742646.db2.gz QECCXDGDHRYRHZ-QWRGUYRKSA-N 2 2 333.259 2.806 20 10 EFCDLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756535857 575756649 /nfs/dbraw/zinc/75/66/49/575756649.db2.gz RXTYBHPAACSUHG-KGLIPLIRSA-N 2 2 341.446 2.595 20 10 EFCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)Cn3cc[nH+]c3)CC2)cc1 ZINC000765417992 577040143 /nfs/dbraw/zinc/04/01/43/577040143.db2.gz XNBHDBBWOLTXSX-MRXNPFEDSA-N 2 2 328.460 2.786 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587467 577169334 /nfs/dbraw/zinc/16/93/34/577169334.db2.gz ZOVLJKSRZXNWIU-DOXZYTNZSA-N 2 2 347.478 2.796 20 10 EFCDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587467 577169336 /nfs/dbraw/zinc/16/93/36/577169336.db2.gz ZOVLJKSRZXNWIU-DOXZYTNZSA-N 2 2 347.478 2.796 20 10 EFCDLP CCOc1ccc(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)c(O)c1 ZINC000768885659 577314061 /nfs/dbraw/zinc/31/40/61/577314061.db2.gz HFSQBUCKDDWAIN-UHFFFAOYSA-N 2 2 349.500 2.790 20 10 EFCDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769233628 577345977 /nfs/dbraw/zinc/34/59/77/577345977.db2.gz TWRIGBZKMJUBMI-UHFFFAOYSA-N 2 2 335.467 2.625 20 10 EFCDLP C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769523436 577370053 /nfs/dbraw/zinc/37/00/53/577370053.db2.gz AAVOZXCYMOWYIG-WMLDXEAASA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769523436 577370054 /nfs/dbraw/zinc/37/00/54/577370054.db2.gz AAVOZXCYMOWYIG-WMLDXEAASA-N 2 2 337.895 2.503 20 10 EFCDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118479 1250291232 /nfs/dbraw/zinc/29/12/32/1250291232.db2.gz HJKLAUKOETVIMP-WBVHZDCISA-N 2 2 348.487 2.651 20 10 EFCDLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118479 1250291240 /nfs/dbraw/zinc/29/12/40/1250291240.db2.gz HJKLAUKOETVIMP-WBVHZDCISA-N 2 2 348.487 2.651 20 10 EFCDLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000702554625 1271479221 /nfs/dbraw/zinc/47/92/21/1271479221.db2.gz WVLBVKHMUXBZRE-NRFANRHFSA-N 2 2 340.467 2.730 20 10 EFCDLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000702554625 1271479224 /nfs/dbraw/zinc/47/92/24/1271479224.db2.gz WVLBVKHMUXBZRE-NRFANRHFSA-N 2 2 340.467 2.730 20 10 EFCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566417 1271494661 /nfs/dbraw/zinc/49/46/61/1271494661.db2.gz HJXVCYRPHNXLIY-MGPUTAFESA-N 2 2 344.430 2.819 20 10 EFCDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566417 1271494666 /nfs/dbraw/zinc/49/46/66/1271494666.db2.gz HJXVCYRPHNXLIY-MGPUTAFESA-N 2 2 344.430 2.819 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702636174 1271564147 /nfs/dbraw/zinc/56/41/47/1271564147.db2.gz MAJLRFOXJLIXHO-LJQANCHMSA-N 2 2 346.858 2.772 20 10 EFCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705684326 1274167690 /nfs/dbraw/zinc/16/76/90/1274167690.db2.gz GGNGMDKGWJBOHO-IBGZPJMESA-N 2 2 346.858 2.772 20 10 EFCDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705684326 1274167696 /nfs/dbraw/zinc/16/76/96/1274167696.db2.gz GGNGMDKGWJBOHO-IBGZPJMESA-N 2 2 346.858 2.772 20 10 EFCDLP Oc1cccc(Br)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000706854138 1275053072 /nfs/dbraw/zinc/05/30/72/1275053072.db2.gz ORZYWEAAOZMKPJ-UHFFFAOYSA-N 2 2 325.250 2.871 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888168 1276347263 /nfs/dbraw/zinc/34/72/63/1276347263.db2.gz JDYCIMBZOOKJDQ-ZXFNITATSA-N 2 2 335.467 2.669 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000817889309 1276348330 /nfs/dbraw/zinc/34/83/30/1276348330.db2.gz SJNGFCJXXGKCRD-ATNYBXOESA-N 2 2 335.467 2.527 20 10 EFCDLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939063 1276386360 /nfs/dbraw/zinc/38/63/60/1276386360.db2.gz YKXJEMQDBNWJSB-DNVCBOLYSA-N 2 2 340.471 2.759 20 10 EFCDLP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943266 1276390057 /nfs/dbraw/zinc/39/00/57/1276390057.db2.gz SZFIGBJEZXBQAR-BLLLJJGKSA-N 2 2 347.484 2.951 20 10 EFCDLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1O ZINC000817951308 1276395958 /nfs/dbraw/zinc/39/59/58/1276395958.db2.gz CYRBSYXXMPOFJW-MRXNPFEDSA-N 2 2 330.407 2.899 20 10 EFCDLP COc1ccc([C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817956918 1276397125 /nfs/dbraw/zinc/39/71/25/1276397125.db2.gz FYBKHILBZIVNHQ-VQTJNVASSA-N 2 2 325.456 2.903 20 10 EFCDLP COc1ccc([C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817956916 1276397590 /nfs/dbraw/zinc/39/75/90/1276397590.db2.gz FYBKHILBZIVNHQ-PMACEKPBSA-N 2 2 325.456 2.903 20 10 EFCDLP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817954798 1276397792 /nfs/dbraw/zinc/39/77/92/1276397792.db2.gz KDZHAGCAXHOVSJ-NXEZZACHSA-N 2 2 331.229 2.944 20 10 EFCDLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815555446 1287592183 /nfs/dbraw/zinc/59/21/83/1287592183.db2.gz ZSCCSMNDIFBOQE-ZDUSSCGKSA-N 2 2 345.409 2.699 20 10 EFCDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791963 1284331839 /nfs/dbraw/zinc/33/18/39/1284331839.db2.gz MGSGJWSHYJPSKV-SNVBAGLBSA-N 2 2 331.229 2.725 20 10 EFCDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791963 1284331843 /nfs/dbraw/zinc/33/18/43/1284331843.db2.gz MGSGJWSHYJPSKV-SNVBAGLBSA-N 2 2 331.229 2.725 20 10 EFCDLP CC[N@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CC[NH+](C)CC1 ZINC001232408225 1312695490 /nfs/dbraw/zinc/69/54/90/1312695490.db2.gz YGLNARFAMPGGTE-UHFFFAOYSA-N 2 2 343.471 2.881 20 10 EFCDLP CC[N@@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CC[NH+](C)CC1 ZINC001232408225 1312695492 /nfs/dbraw/zinc/69/54/92/1312695492.db2.gz YGLNARFAMPGGTE-UHFFFAOYSA-N 2 2 343.471 2.881 20 10 EFCDLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000824559386 1289698321 /nfs/dbraw/zinc/69/83/21/1289698321.db2.gz RZKGEVTXAOIKJQ-HXUWFJFHSA-N 2 2 331.504 2.613 20 10 EFCDLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000824559386 1289698335 /nfs/dbraw/zinc/69/83/35/1289698335.db2.gz RZKGEVTXAOIKJQ-HXUWFJFHSA-N 2 2 331.504 2.613 20 10 EFCDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825927288 1291102593 /nfs/dbraw/zinc/10/25/93/1291102593.db2.gz AZUMUJSIZRSKGT-GFCCVEGCSA-N 2 2 336.233 2.878 20 10 EFCDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825927288 1291102589 /nfs/dbraw/zinc/10/25/89/1291102589.db2.gz AZUMUJSIZRSKGT-GFCCVEGCSA-N 2 2 336.233 2.878 20 10 EFCDLP C[NH+]1CCN(c2ccc(CNc3nc(N)c4ccccc4[nH+]3)cc2)CC1 ZINC000882880243 1293367416 /nfs/dbraw/zinc/36/74/16/1293367416.db2.gz JCJLTAZXFDUQKF-UHFFFAOYSA-N 2 2 348.454 2.576 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203932151 1313049741 /nfs/dbraw/zinc/04/97/41/1313049741.db2.gz UCLCVQQWYYMDQI-RTBURBONSA-N 2 2 336.483 2.711 20 10 EFCDLP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775688399 1294145462 /nfs/dbraw/zinc/14/54/62/1294145462.db2.gz QRBUBJDYGSGZPE-UHFFFAOYSA-N 2 2 330.831 2.727 20 10 EFCDLP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(O)c1O ZINC001204342007 1313125565 /nfs/dbraw/zinc/12/55/65/1313125565.db2.gz IOYGBXLJRZTSME-INIZCTEOSA-N 2 2 334.460 2.947 20 10 EFCDLP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(O)c1O ZINC001204342007 1313125567 /nfs/dbraw/zinc/12/55/67/1313125567.db2.gz IOYGBXLJRZTSME-INIZCTEOSA-N 2 2 334.460 2.947 20 10 EFCDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001205018667 1313222429 /nfs/dbraw/zinc/22/24/29/1313222429.db2.gz XRWNPYZGRDCSCL-NSHDSACASA-N 2 2 343.265 2.595 20 10 EFCDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001205018667 1313222434 /nfs/dbraw/zinc/22/24/34/1313222434.db2.gz XRWNPYZGRDCSCL-NSHDSACASA-N 2 2 343.265 2.595 20 10 EFCDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001205018666 1313222624 /nfs/dbraw/zinc/22/26/24/1313222624.db2.gz XRWNPYZGRDCSCL-LLVKDONJSA-N 2 2 343.265 2.595 20 10 EFCDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001205018666 1313222627 /nfs/dbraw/zinc/22/26/27/1313222627.db2.gz XRWNPYZGRDCSCL-LLVKDONJSA-N 2 2 343.265 2.595 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235265651 1313278949 /nfs/dbraw/zinc/27/89/49/1313278949.db2.gz CWSRXYWJAOGYFK-PBHICJAKSA-N 2 2 341.455 2.539 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235265651 1313278952 /nfs/dbraw/zinc/27/89/52/1313278952.db2.gz CWSRXYWJAOGYFK-PBHICJAKSA-N 2 2 341.455 2.539 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1C ZINC001235265653 1313279127 /nfs/dbraw/zinc/27/91/27/1313279127.db2.gz CWSRXYWJAOGYFK-WMLDXEAASA-N 2 2 341.455 2.539 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc2n1C ZINC001235265653 1313279129 /nfs/dbraw/zinc/27/91/29/1313279129.db2.gz CWSRXYWJAOGYFK-WMLDXEAASA-N 2 2 341.455 2.539 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618111 1313324250 /nfs/dbraw/zinc/32/42/50/1313324250.db2.gz RNXDDSBDMNORDQ-JSGCOSHPSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205618111 1313324253 /nfs/dbraw/zinc/32/42/53/1313324253.db2.gz RNXDDSBDMNORDQ-JSGCOSHPSA-N 2 2 330.428 2.614 20 10 EFCDLP [NH3+]C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC001205771770 1313352946 /nfs/dbraw/zinc/35/29/46/1313352946.db2.gz VRZICBAOEJWAAR-SECBINFHSA-N 2 2 335.192 2.571 20 10 EFCDLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC001205771770 1313352950 /nfs/dbraw/zinc/35/29/50/1313352950.db2.gz VRZICBAOEJWAAR-SECBINFHSA-N 2 2 335.192 2.571 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235690891 1313376402 /nfs/dbraw/zinc/37/64/02/1313376402.db2.gz DWNFIHJQZUYJGZ-HXUWFJFHSA-N 2 2 339.483 2.525 20 10 EFCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235690891 1313376403 /nfs/dbraw/zinc/37/64/03/1313376403.db2.gz DWNFIHJQZUYJGZ-HXUWFJFHSA-N 2 2 339.483 2.525 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003469 1313389858 /nfs/dbraw/zinc/38/98/58/1313389858.db2.gz IHHGBRPYYZWMQB-ZIAGYGMSSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206003469 1313389862 /nfs/dbraw/zinc/38/98/62/1313389862.db2.gz IHHGBRPYYZWMQB-ZIAGYGMSSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003467 1313390086 /nfs/dbraw/zinc/39/00/86/1313390086.db2.gz IHHGBRPYYZWMQB-KGLIPLIRSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206003467 1313390089 /nfs/dbraw/zinc/39/00/89/1313390089.db2.gz IHHGBRPYYZWMQB-KGLIPLIRSA-N 2 2 330.428 2.614 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001235806213 1313400531 /nfs/dbraw/zinc/40/05/31/1313400531.db2.gz MFYQEYRKAKLMHU-HNNXBMFYSA-N 2 2 342.867 2.645 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001235806213 1313400533 /nfs/dbraw/zinc/40/05/33/1313400533.db2.gz MFYQEYRKAKLMHU-HNNXBMFYSA-N 2 2 342.867 2.645 20 10 EFCDLP COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001235839889 1313407506 /nfs/dbraw/zinc/40/75/06/1313407506.db2.gz ZEUUPHSNCHXQCG-UHFFFAOYSA-N 2 2 331.435 2.637 20 10 EFCDLP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001235839889 1313407508 /nfs/dbraw/zinc/40/75/08/1313407508.db2.gz ZEUUPHSNCHXQCG-UHFFFAOYSA-N 2 2 331.435 2.637 20 10 EFCDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(O)c(Br)cc1O ZINC001236775501 1313527057 /nfs/dbraw/zinc/52/70/57/1313527057.db2.gz NBNODCWZEXNIIZ-UHFFFAOYSA-N 2 2 343.265 2.778 20 10 EFCDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(O)c(Br)cc1O ZINC001236775501 1313527059 /nfs/dbraw/zinc/52/70/59/1313527059.db2.gz NBNODCWZEXNIIZ-UHFFFAOYSA-N 2 2 343.265 2.778 20 10 EFCDLP C[NH+](C)CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[NH2+]C1 ZINC001236925027 1313554082 /nfs/dbraw/zinc/55/40/82/1313554082.db2.gz VWGLHNNZKBUIGA-AWEZNQCLSA-N 2 2 346.302 2.815 20 10 EFCDLP CC[N@@H+](Cc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236934123 1313556890 /nfs/dbraw/zinc/55/68/90/1313556890.db2.gz CZBDSJBGTVLFSD-UHFFFAOYSA-N 2 2 342.462 2.995 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4cccnc4C3)c(F)c2)CC1 ZINC001236941489 1313558054 /nfs/dbraw/zinc/55/80/54/1313558054.db2.gz BYPHRIGLDSXRAC-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cccnc4C3)c(F)c2)CC1 ZINC001236941489 1313558057 /nfs/dbraw/zinc/55/80/57/1313558057.db2.gz BYPHRIGLDSXRAC-UHFFFAOYSA-N 2 2 340.446 2.531 20 10 EFCDLP COCCC[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236951507 1313559909 /nfs/dbraw/zinc/55/99/09/1313559909.db2.gz XKDJITYLTGDEFX-INIZCTEOSA-N 2 2 346.471 2.777 20 10 EFCDLP COCCC[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CC[NH2+]C1 ZINC001236951507 1313559913 /nfs/dbraw/zinc/55/99/13/1313559913.db2.gz XKDJITYLTGDEFX-INIZCTEOSA-N 2 2 346.471 2.777 20 10 EFCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062434 1313579165 /nfs/dbraw/zinc/57/91/65/1313579165.db2.gz NTZCJCNVEMGUFU-IUODEOHRSA-N 2 2 344.377 2.859 20 10 EFCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062434 1313579169 /nfs/dbraw/zinc/57/91/69/1313579169.db2.gz NTZCJCNVEMGUFU-IUODEOHRSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062434 1313579170 /nfs/dbraw/zinc/57/91/70/1313579170.db2.gz NTZCJCNVEMGUFU-IUODEOHRSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237062434 1313579174 /nfs/dbraw/zinc/57/91/74/1313579174.db2.gz NTZCJCNVEMGUFU-IUODEOHRSA-N 2 2 344.377 2.859 20 10 EFCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115417 1313588829 /nfs/dbraw/zinc/58/88/29/1313588829.db2.gz SFRYXXKBQLGCHC-OAHLLOKOSA-N 2 2 330.350 2.818 20 10 EFCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115417 1313588832 /nfs/dbraw/zinc/58/88/32/1313588832.db2.gz SFRYXXKBQLGCHC-OAHLLOKOSA-N 2 2 330.350 2.818 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115417 1313588835 /nfs/dbraw/zinc/58/88/35/1313588835.db2.gz SFRYXXKBQLGCHC-OAHLLOKOSA-N 2 2 330.350 2.818 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001237115417 1313588838 /nfs/dbraw/zinc/58/88/38/1313588838.db2.gz SFRYXXKBQLGCHC-OAHLLOKOSA-N 2 2 330.350 2.818 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001238063916 1313754244 /nfs/dbraw/zinc/75/42/44/1313754244.db2.gz MSBZDDJLVSVGAG-ROUUACIJSA-N 2 2 341.430 2.799 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001238068632 1313754760 /nfs/dbraw/zinc/75/47/60/1313754760.db2.gz FDBUTZQERYYGBH-UHFFFAOYSA-N 2 2 336.451 2.915 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001238068632 1313754763 /nfs/dbraw/zinc/75/47/63/1313754763.db2.gz FDBUTZQERYYGBH-UHFFFAOYSA-N 2 2 336.451 2.915 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000863646510 1302666750 /nfs/dbraw/zinc/66/67/50/1302666750.db2.gz LHNWDDRMQQAQCA-QWHCGFSZSA-N 2 2 333.373 2.851 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000863646510 1302666764 /nfs/dbraw/zinc/66/67/64/1302666764.db2.gz LHNWDDRMQQAQCA-QWHCGFSZSA-N 2 2 333.373 2.851 20 10 EFCDLP COc1cc(N2CC[NH+](C)CC2)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244164860 1314357952 /nfs/dbraw/zinc/35/79/52/1314357952.db2.gz ZFTBLUZSSAXXCF-UHFFFAOYSA-N 2 2 338.455 2.510 20 10 EFCDLP [NH3+]CC1(F)CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001222542841 1311149692 /nfs/dbraw/zinc/14/96/92/1311149692.db2.gz LACHRFYVXSTNOY-UHFFFAOYSA-N 2 2 335.192 2.557 20 10 EFCDLP Nc1cccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)[nH+]1 ZINC001160616568 1311747108 /nfs/dbraw/zinc/74/71/08/1311747108.db2.gz NKIUIHBRVQJWOA-RTBURBONSA-N 2 2 336.395 2.928 20 10 EFCDLP COc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(O)cc1O ZINC001231637598 1312537379 /nfs/dbraw/zinc/53/73/79/1312537379.db2.gz NSDFDAKAJKDPCG-UHFFFAOYSA-N 2 2 338.423 2.505 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001231845107 1312573086 /nfs/dbraw/zinc/57/30/86/1312573086.db2.gz VLINMDMIFJEROD-ROUUACIJSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001231845057 1312573643 /nfs/dbraw/zinc/57/36/43/1312573643.db2.gz WPWWGAUUEFXGDY-RTBURBONSA-N 2 2 337.467 2.968 20 10 EFCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC(C)(C)O1 ZINC001253996827 1315663289 /nfs/dbraw/zinc/66/32/89/1315663289.db2.gz HDAZYISZJHHIIJ-HNNXBMFYSA-N 2 2 335.467 2.577 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC(C)(C)O1 ZINC001253996827 1315663293 /nfs/dbraw/zinc/66/32/93/1315663293.db2.gz HDAZYISZJHHIIJ-HNNXBMFYSA-N 2 2 335.467 2.577 20 10 EFCDLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001257212315 1316047097 /nfs/dbraw/zinc/04/70/97/1316047097.db2.gz ZEYUGEDHQMVEPB-UHFFFAOYSA-N 3 2 331.504 2.819 20 10 EFCDLP Oc1cc2ccccc2cc1C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001279667109 1317351853 /nfs/dbraw/zinc/35/18/53/1317351853.db2.gz OZWCKZKGMCCPSB-UHFFFAOYSA-N 2 2 348.450 2.702 20 10 EFCDLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324438700 1329627536 /nfs/dbraw/zinc/62/75/36/1329627536.db2.gz OMNMRPYWPRLEQJ-HNNXBMFYSA-N 2 2 345.466 2.645 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC34CCCC4)cc2F)CC1 ZINC001324752752 1329655784 /nfs/dbraw/zinc/65/57/84/1329655784.db2.gz ROUDQDJOFKHIMP-UHFFFAOYSA-N 2 2 347.478 2.723 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC34CCCC4)cc2F)CC1 ZINC001324752752 1329655786 /nfs/dbraw/zinc/65/57/86/1329655786.db2.gz ROUDQDJOFKHIMP-UHFFFAOYSA-N 2 2 347.478 2.723 20 10 EFCDLP COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC001338250121 1331679462 /nfs/dbraw/zinc/67/94/62/1331679462.db2.gz KAQVCFPTJPYIPC-HNNXBMFYSA-N 2 2 329.444 2.897 20 10 EFCDLP COc1cc(C)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC001338250121 1331679465 /nfs/dbraw/zinc/67/94/65/1331679465.db2.gz KAQVCFPTJPYIPC-HNNXBMFYSA-N 2 2 329.444 2.897 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848574407 1334801926 /nfs/dbraw/zinc/80/19/26/1334801926.db2.gz DWBLVLWRPGRPRP-VQTJNVASSA-N 2 2 329.488 2.630 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848574407 1334801928 /nfs/dbraw/zinc/80/19/28/1334801928.db2.gz DWBLVLWRPGRPRP-VQTJNVASSA-N 2 2 329.488 2.630 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848574405 1334802225 /nfs/dbraw/zinc/80/22/25/1334802225.db2.gz DWBLVLWRPGRPRP-PMACEKPBSA-N 2 2 329.488 2.630 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848574405 1334802231 /nfs/dbraw/zinc/80/22/31/1334802231.db2.gz DWBLVLWRPGRPRP-PMACEKPBSA-N 2 2 329.488 2.630 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848930058 1334995025 /nfs/dbraw/zinc/99/50/25/1334995025.db2.gz NECCZDVQOOAXSE-LJQANCHMSA-N 2 2 331.504 2.748 20 10 EFCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848930058 1334995027 /nfs/dbraw/zinc/99/50/27/1334995027.db2.gz NECCZDVQOOAXSE-LJQANCHMSA-N 2 2 331.504 2.748 20 10 EFCDLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1O ZINC000849349601 1335596766 /nfs/dbraw/zinc/59/67/66/1335596766.db2.gz BWTFHENYVJNSQX-IAGOWNOFSA-N 2 2 330.403 2.775 20 10 EFCDLP COc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849350481 1335596901 /nfs/dbraw/zinc/59/69/01/1335596901.db2.gz YTRQELRUAKXFNG-QZTJIDSGSA-N 2 2 330.403 2.775 20 10 EFCDLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(O)c1OC ZINC000896193463 723189870 /nfs/dbraw/zinc/18/98/70/723189870.db2.gz XERZOIMVJOHLQV-UHFFFAOYSA-N 2 2 343.427 2.881 20 10 EFCDLP Cc1c2ccccc2n(C)c1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001579534867 1090628499 /nfs/dbraw/zinc/62/84/99/1090628499.db2.gz UQCYFRXRBCEKJM-UHFFFAOYSA-N 2 2 335.455 2.903 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167897615 1096224573 /nfs/dbraw/zinc/22/45/73/1096224573.db2.gz LGCCXYORKKJGBM-PIIMJCKOSA-N 2 2 329.488 2.595 20 10 EFCDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001205018690 1101708658 /nfs/dbraw/zinc/70/86/58/1101708658.db2.gz YBFPFURZZSBDLX-LBPRGKRZSA-N 2 2 327.266 2.895 20 10 EFCDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2O)C1 ZINC001205018690 1101708668 /nfs/dbraw/zinc/70/86/68/1101708668.db2.gz YBFPFURZZSBDLX-LBPRGKRZSA-N 2 2 327.266 2.895 20 10 EFCDLP COc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236204440 1112244581 /nfs/dbraw/zinc/24/45/81/1112244581.db2.gz ADLINPICUXKGGI-OAHLLOKOSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236204440 1112244584 /nfs/dbraw/zinc/24/45/84/1112244584.db2.gz ADLINPICUXKGGI-OAHLLOKOSA-N 2 2 343.265 2.737 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1O ZINC000186126890 299273612 /nfs/dbraw/zinc/27/36/12/299273612.db2.gz KERDXXXBYMGVTB-VHSSKADRSA-N 2 2 336.451 2.950 20 10 EFCDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)N1CC[NH+](C)CC1 ZINC000185365922 295972012 /nfs/dbraw/zinc/97/20/12/295972012.db2.gz GTWDTKVGDYTZFI-RYUDHWBXSA-N 2 2 346.302 2.986 20 10 EFCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027096 240020413 /nfs/dbraw/zinc/02/04/13/240020413.db2.gz JXQUCKPEHHRYIR-LJQANCHMSA-N 2 2 344.430 2.912 20 10 EFCDLP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027096 240020416 /nfs/dbraw/zinc/02/04/16/240020416.db2.gz JXQUCKPEHHRYIR-LJQANCHMSA-N 2 2 344.430 2.912 20 10 EFCDLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192618913 287024885 /nfs/dbraw/zinc/02/48/85/287024885.db2.gz MISARNPRMYGUJK-GFCCVEGCSA-N 2 2 346.302 2.987 20 10 EFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992276 473295278 /nfs/dbraw/zinc/29/52/78/473295278.db2.gz QXITWZQGZHGGRY-QFBILLFUSA-N 2 2 340.467 2.770 20 10 EFCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992276 473295284 /nfs/dbraw/zinc/29/52/84/473295284.db2.gz QXITWZQGZHGGRY-QFBILLFUSA-N 2 2 340.467 2.770 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839341 473319704 /nfs/dbraw/zinc/31/97/04/473319704.db2.gz BTSQCNXGPWCNHY-CHWSQXEVSA-N 2 2 331.243 2.652 20 10 EFCDLP Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839341 473319708 /nfs/dbraw/zinc/31/97/08/473319708.db2.gz BTSQCNXGPWCNHY-CHWSQXEVSA-N 2 2 331.243 2.652 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000156682339 472739209 /nfs/dbraw/zinc/73/92/09/472739209.db2.gz OKIJYSBJSOFTEG-KRWDZBQOSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000156682339 472739214 /nfs/dbraw/zinc/73/92/14/472739214.db2.gz OKIJYSBJSOFTEG-KRWDZBQOSA-N 2 2 331.504 2.986 20 10 EFCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000136579033 473164816 /nfs/dbraw/zinc/16/48/16/473164816.db2.gz MJXWVFQMCREFFF-SJLPKXTDSA-N 2 2 338.879 2.903 20 10 EFCDLP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1O ZINC000185352868 473401872 /nfs/dbraw/zinc/40/18/72/473401872.db2.gz GPTXLEUDLZJSDD-AWEZNQCLSA-N 2 2 339.911 2.970 20 10 EFCDLP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1O ZINC000185352868 473401880 /nfs/dbraw/zinc/40/18/80/473401880.db2.gz GPTXLEUDLZJSDD-AWEZNQCLSA-N 2 2 339.911 2.970 20 10 EFCDLP C[NH+]1CCC([N@H+](CCO)Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000269365415 473789070 /nfs/dbraw/zinc/78/90/70/473789070.db2.gz QRMCAFYUJQHOFV-UHFFFAOYSA-N 2 2 340.467 2.948 20 10 EFCDLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000269365415 473789079 /nfs/dbraw/zinc/78/90/79/473789079.db2.gz QRMCAFYUJQHOFV-UHFFFAOYSA-N 2 2 340.467 2.948 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1O ZINC000187726554 473909451 /nfs/dbraw/zinc/90/94/51/473909451.db2.gz JFCASLRJTNCXJC-STQMWFEESA-N 2 2 340.414 2.822 20 10 EFCDLP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1(C)C ZINC000282522708 474096730 /nfs/dbraw/zinc/09/67/30/474096730.db2.gz YJLYYYLOUWYPQJ-UHFFFAOYSA-N 2 2 346.302 2.815 20 10 EFCDLP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1(C)C ZINC000282522708 474096741 /nfs/dbraw/zinc/09/67/41/474096741.db2.gz YJLYYYLOUWYPQJ-UHFFFAOYSA-N 2 2 346.302 2.815 20 10 EFCDLP CN(CC[N@H+](C)Cc1cccc(Cl)c1O)C1CC[NH+](C)CC1 ZINC000289189742 474176964 /nfs/dbraw/zinc/17/69/64/474176964.db2.gz BFYKGXUOZKCOBP-UHFFFAOYSA-N 2 2 325.884 2.503 20 10 EFCDLP CN(CC[N@@H+](C)Cc1cccc(Cl)c1O)C1CC[NH+](C)CC1 ZINC000289189742 474176970 /nfs/dbraw/zinc/17/69/70/474176970.db2.gz BFYKGXUOZKCOBP-UHFFFAOYSA-N 2 2 325.884 2.503 20 10 EFCDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525516 474575842 /nfs/dbraw/zinc/57/58/42/474575842.db2.gz QGZHHFNTOOEGLG-RISCZKNCSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525516 474575849 /nfs/dbraw/zinc/57/58/49/474575849.db2.gz QGZHHFNTOOEGLG-RISCZKNCSA-N 2 2 327.266 2.927 20 10 EFCDLP COc1c(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202667 474603600 /nfs/dbraw/zinc/60/36/00/474603600.db2.gz JGBYLQQFIWMFKO-CQSZACIVSA-N 2 2 349.431 2.617 20 10 EFCDLP COc1c(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278202667 474603605 /nfs/dbraw/zinc/60/36/05/474603605.db2.gz JGBYLQQFIWMFKO-CQSZACIVSA-N 2 2 349.431 2.617 20 10 EFCDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000278244755 474603862 /nfs/dbraw/zinc/60/38/62/474603862.db2.gz LUNIBVPHMIQTDJ-WDEREUQCSA-N 2 2 333.259 2.806 20 10 EFCDLP COc1c(O)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278827002 474857011 /nfs/dbraw/zinc/85/70/11/474857011.db2.gz IGBMXNPYJSSSOW-UHFFFAOYSA-N 2 2 337.420 2.662 20 10 EFCDLP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000285760307 475040263 /nfs/dbraw/zinc/04/02/63/475040263.db2.gz SDCQUKHQEDEIHA-ZWKOTPCHSA-N 2 2 337.483 2.844 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908159 475064923 /nfs/dbraw/zinc/06/49/23/475064923.db2.gz MGMUQTUYROGGTM-GHTZIAJQSA-N 2 2 344.547 2.963 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000268908159 475064928 /nfs/dbraw/zinc/06/49/28/475064928.db2.gz MGMUQTUYROGGTM-GHTZIAJQSA-N 2 2 344.547 2.963 20 10 EFCDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000377890352 476630903 /nfs/dbraw/zinc/63/09/03/476630903.db2.gz URBKXIXJTIKDRF-LLVKDONJSA-N 2 2 336.233 2.878 20 10 EFCDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000377890352 476630912 /nfs/dbraw/zinc/63/09/12/476630912.db2.gz URBKXIXJTIKDRF-LLVKDONJSA-N 2 2 336.233 2.878 20 10 EFCDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000377890353 476631465 /nfs/dbraw/zinc/63/14/65/476631465.db2.gz URBKXIXJTIKDRF-NSHDSACASA-N 2 2 336.233 2.878 20 10 EFCDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000377890353 476631472 /nfs/dbraw/zinc/63/14/72/476631472.db2.gz URBKXIXJTIKDRF-NSHDSACASA-N 2 2 336.233 2.878 20 10 EFCDLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705985 476942992 /nfs/dbraw/zinc/94/29/92/476942992.db2.gz KRZKKTPBJVOFOT-YOEHRIQHSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705985 476943003 /nfs/dbraw/zinc/94/30/03/476943003.db2.gz KRZKKTPBJVOFOT-YOEHRIQHSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705984 476944274 /nfs/dbraw/zinc/94/42/74/476944274.db2.gz KRZKKTPBJVOFOT-WMLDXEAASA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705984 476944279 /nfs/dbraw/zinc/94/42/79/476944279.db2.gz KRZKKTPBJVOFOT-WMLDXEAASA-N 2 2 337.895 2.503 20 10 EFCDLP Cc1cc(Br)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000368319897 477798220 /nfs/dbraw/zinc/79/82/20/477798220.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000368319897 477798227 /nfs/dbraw/zinc/79/82/27/477798227.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000368319897 477798238 /nfs/dbraw/zinc/79/82/38/477798238.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000368319897 477798245 /nfs/dbraw/zinc/79/82/45/477798245.db2.gz ZGWVFGHUKIMZMH-INIZCTEOSA-N 2 2 339.277 2.991 20 10 EFCDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000030904107 524071731 /nfs/dbraw/zinc/07/17/31/524071731.db2.gz HMIOCEAVWRBPDR-HXUWFJFHSA-N 2 2 340.467 2.512 20 10 EFCDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C ZINC000030904107 524071733 /nfs/dbraw/zinc/07/17/33/524071733.db2.gz HMIOCEAVWRBPDR-HXUWFJFHSA-N 2 2 340.467 2.512 20 10 EFCDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1O ZINC000756459913 575742691 /nfs/dbraw/zinc/74/26/91/575742691.db2.gz QECCXDGDHRYRHZ-MNOVXSKESA-N 2 2 333.259 2.806 20 10 EFCDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1O ZINC000756562965 575762871 /nfs/dbraw/zinc/76/28/71/575762871.db2.gz KJQXMMHWFLLCRI-JSGCOSHPSA-N 2 2 328.403 2.558 20 10 EFCDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1O ZINC000756562965 575762873 /nfs/dbraw/zinc/76/28/73/575762873.db2.gz KJQXMMHWFLLCRI-JSGCOSHPSA-N 2 2 328.403 2.558 20 10 EFCDLP COc1ccc(N2CCC([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000765257636 577023942 /nfs/dbraw/zinc/02/39/42/577023942.db2.gz JKMGDJRGJQEYCY-UHFFFAOYSA-N 2 2 328.460 2.931 20 10 EFCDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765261790 577024506 /nfs/dbraw/zinc/02/45/06/577024506.db2.gz VMDNXLRIYDKDCZ-MRXNPFEDSA-N 2 2 346.450 2.990 20 10 EFCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904809 581503697 /nfs/dbraw/zinc/50/36/97/581503697.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904809 581503698 /nfs/dbraw/zinc/50/36/98/581503698.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904809 581503699 /nfs/dbraw/zinc/50/36/99/581503699.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 2 2 337.420 2.614 20 10 EFCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904809 581503700 /nfs/dbraw/zinc/50/37/00/581503700.db2.gz XBQFSKBCQSQLIW-TZMCWYRMSA-N 2 2 337.420 2.614 20 10 EFCDLP COc1c(O)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774964013 581505233 /nfs/dbraw/zinc/50/52/33/581505233.db2.gz MSZQKDOLNYCFPI-UHFFFAOYSA-N 2 2 337.420 2.519 20 10 EFCDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118476 1250292425 /nfs/dbraw/zinc/29/24/25/1250292425.db2.gz HJKLAUKOETVIMP-RDJZCZTQSA-N 2 2 348.487 2.651 20 10 EFCDLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(O)c(C(C)(C)C)c1 ZINC000850118476 1250292436 /nfs/dbraw/zinc/29/24/36/1250292436.db2.gz HJKLAUKOETVIMP-RDJZCZTQSA-N 2 2 348.487 2.651 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000824815024 1278300945 /nfs/dbraw/zinc/30/09/45/1278300945.db2.gz YPLIKJQBUUBFMZ-UHFFFAOYSA-N 2 2 326.868 2.633 20 10 EFCDLP Cc1cc(O)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1Cl ZINC000824815024 1278300957 /nfs/dbraw/zinc/30/09/57/1278300957.db2.gz YPLIKJQBUUBFMZ-UHFFFAOYSA-N 2 2 326.868 2.633 20 10 EFCDLP Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000706853840 1275053672 /nfs/dbraw/zinc/05/36/72/1275053672.db2.gz ATZJPWYGGZNOMA-NSHDSACASA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000706853840 1275053680 /nfs/dbraw/zinc/05/36/80/1275053680.db2.gz ATZJPWYGGZNOMA-NSHDSACASA-N 2 2 325.250 2.729 20 10 EFCDLP C[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000707129994 1275337412 /nfs/dbraw/zinc/33/74/12/1275337412.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@H+](Cc1c(O)cccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000707129994 1275337417 /nfs/dbraw/zinc/33/74/17/1275337417.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1c(O)cccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000707129994 1275337421 /nfs/dbraw/zinc/33/74/21/1275337421.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1c(O)cccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000707129994 1275337426 /nfs/dbraw/zinc/33/74/26/1275337426.db2.gz XAXXROJDGQIVRL-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170607 1275375080 /nfs/dbraw/zinc/37/50/80/1275375080.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170607 1275375092 /nfs/dbraw/zinc/37/50/92/1275375092.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170607 1275375104 /nfs/dbraw/zinc/37/51/04/1275375104.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000707170607 1275375112 /nfs/dbraw/zinc/37/51/12/1275375112.db2.gz BCRKZAHYMYBHFL-OAHLLOKOSA-N 2 2 325.250 2.682 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817893122 1276362909 /nfs/dbraw/zinc/36/29/09/1276362909.db2.gz FCDNWFBJKRTKKC-JXFKEZNVSA-N 2 2 331.504 2.516 20 10 EFCDLP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817902406 1276367778 /nfs/dbraw/zinc/36/77/78/1276367778.db2.gz PWNWWOQWNVEKOG-MOPGFXCFSA-N 3 2 348.510 2.588 20 10 EFCDLP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817943267 1276389358 /nfs/dbraw/zinc/38/93/58/1276389358.db2.gz SZFIGBJEZXBQAR-LRDDRELGSA-N 2 2 347.484 2.951 20 10 EFCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944147 1276390513 /nfs/dbraw/zinc/39/05/13/1276390513.db2.gz XTPXEZXUBKYMRJ-PXAZEXFGSA-N 2 2 343.431 2.594 20 10 EFCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944149 1276390904 /nfs/dbraw/zinc/39/09/04/1276390904.db2.gz XTPXEZXUBKYMRJ-SJCJKPOMSA-N 2 2 343.431 2.594 20 10 EFCDLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Br)ccc1O ZINC000817976716 1276417365 /nfs/dbraw/zinc/41/73/65/1276417365.db2.gz SCOVDSTWQIXNBK-GMXVVIOVSA-N 2 2 331.229 2.895 20 10 EFCDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815577440 1287609123 /nfs/dbraw/zinc/60/91/23/1287609123.db2.gz QCSYGUDBPWTWCI-CHWSQXEVSA-N 2 2 345.409 2.698 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521417 1288169786 /nfs/dbraw/zinc/16/97/86/1288169786.db2.gz OPKUVPAKVFQCNB-PVUWLOKVSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816521417 1288169791 /nfs/dbraw/zinc/16/97/91/1288169791.db2.gz OPKUVPAKVFQCNB-PVUWLOKVSA-N 2 2 342.842 2.868 20 10 EFCDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093693301 1291196361 /nfs/dbraw/zinc/19/63/61/1291196361.db2.gz YUMNQTYFDCHGSK-GOSISDBHSA-N 2 2 349.494 2.826 20 10 EFCDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093693301 1291196365 /nfs/dbraw/zinc/19/63/65/1291196365.db2.gz YUMNQTYFDCHGSK-GOSISDBHSA-N 2 2 349.494 2.826 20 10 EFCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)C1 ZINC000883003160 1293424730 /nfs/dbraw/zinc/42/47/30/1293424730.db2.gz BCFAZLDMHLLXNW-GUYCJALGSA-N 2 2 342.430 2.897 20 10 EFCDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](C)C1 ZINC000883003160 1293424739 /nfs/dbraw/zinc/42/47/39/1293424739.db2.gz BCFAZLDMHLLXNW-GUYCJALGSA-N 2 2 342.430 2.897 20 10 EFCDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001203878458 1313040104 /nfs/dbraw/zinc/04/01/04/1313040104.db2.gz UTIOASLMUGGZCZ-KDURUIRLSA-N 2 2 338.451 2.970 20 10 EFCDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001203878458 1313040108 /nfs/dbraw/zinc/04/01/08/1313040108.db2.gz UTIOASLMUGGZCZ-KDURUIRLSA-N 2 2 338.451 2.970 20 10 EFCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001203878458 1313040112 /nfs/dbraw/zinc/04/01/12/1313040112.db2.gz UTIOASLMUGGZCZ-KDURUIRLSA-N 2 2 338.451 2.970 20 10 EFCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001203878458 1313040113 /nfs/dbraw/zinc/04/01/13/1313040113.db2.gz UTIOASLMUGGZCZ-KDURUIRLSA-N 2 2 338.451 2.970 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203932150 1313050132 /nfs/dbraw/zinc/05/01/32/1313050132.db2.gz UCLCVQQWYYMDQI-OALUTQOASA-N 2 2 336.483 2.711 20 10 EFCDLP Oc1cccc(F)c1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276354034 1294568880 /nfs/dbraw/zinc/56/88/80/1294568880.db2.gz DLELWGLMUFNXED-MOPGFXCFSA-N 2 2 344.434 2.979 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001205015360 1313221298 /nfs/dbraw/zinc/22/12/98/1313221298.db2.gz CBWIEAUQDNFAKS-HNNXBMFYSA-N 2 2 343.471 2.786 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001205015360 1313221302 /nfs/dbraw/zinc/22/13/02/1313221302.db2.gz CBWIEAUQDNFAKS-HNNXBMFYSA-N 2 2 343.471 2.786 20 10 EFCDLP Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231018 1313270233 /nfs/dbraw/zinc/27/02/33/1313270233.db2.gz MLHCKCZJLXJLNX-FZMZJTMJSA-N 2 2 334.769 2.938 20 10 EFCDLP Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1Cl ZINC001235231018 1313270237 /nfs/dbraw/zinc/27/02/37/1313270237.db2.gz MLHCKCZJLXJLNX-FZMZJTMJSA-N 2 2 334.769 2.938 20 10 EFCDLP Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1O ZINC001235233075 1313270797 /nfs/dbraw/zinc/27/07/97/1313270797.db2.gz NDYCWRVYQHAKER-FZMZJTMJSA-N 2 2 334.769 2.938 20 10 EFCDLP Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1O ZINC001235233075 1313270801 /nfs/dbraw/zinc/27/08/01/1313270801.db2.gz NDYCWRVYQHAKER-FZMZJTMJSA-N 2 2 334.769 2.938 20 10 EFCDLP C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@H]1C[NH2+]CCO1 ZINC001205537167 1313308183 /nfs/dbraw/zinc/30/81/83/1313308183.db2.gz DQNWFNCKLMDWGB-GOSISDBHSA-N 2 2 330.403 2.619 20 10 EFCDLP C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@H]1C[NH2+]CCO1 ZINC001205537167 1313308187 /nfs/dbraw/zinc/30/81/87/1313308187.db2.gz DQNWFNCKLMDWGB-GOSISDBHSA-N 2 2 330.403 2.619 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401072 1313312341 /nfs/dbraw/zinc/31/23/41/1313312341.db2.gz GIANMBDTSKOFGX-HUUCEWRRSA-N 2 2 332.341 2.935 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235401072 1313312344 /nfs/dbraw/zinc/31/23/44/1313312344.db2.gz GIANMBDTSKOFGX-HUUCEWRRSA-N 2 2 332.341 2.935 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235401450 1313312474 /nfs/dbraw/zinc/31/24/74/1313312474.db2.gz GQPWDPAYSFWQNH-IAGOWNOFSA-N 2 2 325.859 2.930 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235401450 1313312477 /nfs/dbraw/zinc/31/24/77/1313312477.db2.gz GQPWDPAYSFWQNH-IAGOWNOFSA-N 2 2 325.859 2.930 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618113 1313323717 /nfs/dbraw/zinc/32/37/17/1313323717.db2.gz RNXDDSBDMNORDQ-TZMCWYRMSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205618113 1313323722 /nfs/dbraw/zinc/32/37/22/1313323722.db2.gz RNXDDSBDMNORDQ-TZMCWYRMSA-N 2 2 330.428 2.614 20 10 EFCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC001205771771 1313353431 /nfs/dbraw/zinc/35/34/31/1313353431.db2.gz VRZICBAOEJWAAR-VIFPVBQESA-N 2 2 335.192 2.571 20 10 EFCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCC1(F)F ZINC001205771771 1313353435 /nfs/dbraw/zinc/35/34/35/1313353435.db2.gz VRZICBAOEJWAAR-VIFPVBQESA-N 2 2 335.192 2.571 20 10 EFCDLP COCCC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808541 1313402539 /nfs/dbraw/zinc/40/25/39/1313402539.db2.gz UVYKTCAWYLCPQC-HXUWFJFHSA-N 2 2 331.504 2.877 20 10 EFCDLP COCCC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235808541 1313402543 /nfs/dbraw/zinc/40/25/43/1313402543.db2.gz UVYKTCAWYLCPQC-HXUWFJFHSA-N 2 2 331.504 2.877 20 10 EFCDLP CN(C)c1ccc(C[N@H+](C2COC2)C2CC[NH2+]CC2)c2ccccc21 ZINC001235928167 1313419067 /nfs/dbraw/zinc/41/90/67/1313419067.db2.gz RDYIKICYDXDXLN-UHFFFAOYSA-N 2 2 339.483 2.859 20 10 EFCDLP CN(C)c1ccc(C[N@@H+](C2COC2)C2CC[NH2+]CC2)c2ccccc21 ZINC001235928167 1313419069 /nfs/dbraw/zinc/41/90/69/1313419069.db2.gz RDYIKICYDXDXLN-UHFFFAOYSA-N 2 2 339.483 2.859 20 10 EFCDLP CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001236005773 1313430062 /nfs/dbraw/zinc/43/00/62/1313430062.db2.gz PCOOJISELXJKFX-ZDUSSCGKSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCC[NH2+]C1 ZINC001236005773 1313430065 /nfs/dbraw/zinc/43/00/65/1313430065.db2.gz PCOOJISELXJKFX-ZDUSSCGKSA-N 2 2 343.265 2.737 20 10 EFCDLP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207541 1313455492 /nfs/dbraw/zinc/45/54/92/1313455492.db2.gz QYIGJBHMCMRHCG-SFHVURJKSA-N 2 2 337.895 2.751 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207541 1313455493 /nfs/dbraw/zinc/45/54/93/1313455493.db2.gz QYIGJBHMCMRHCG-SFHVURJKSA-N 2 2 337.895 2.751 20 10 EFCDLP COCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCC[NH2+]C1 ZINC001236329686 1313470957 /nfs/dbraw/zinc/47/09/57/1313470957.db2.gz LQLXYVLLUDAZNJ-INIZCTEOSA-N 2 2 344.455 2.754 20 10 EFCDLP COCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCC[NH2+]C1 ZINC001236329686 1313470960 /nfs/dbraw/zinc/47/09/60/1313470960.db2.gz LQLXYVLLUDAZNJ-INIZCTEOSA-N 2 2 344.455 2.754 20 10 EFCDLP C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)C1CC[NH+](C)CC1 ZINC001236929719 1313555350 /nfs/dbraw/zinc/55/53/50/1313555350.db2.gz SQGSHKZVEYHMIJ-UHFFFAOYSA-N 2 2 337.895 2.703 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)C1CC[NH+](C)CC1 ZINC001236929719 1313555351 /nfs/dbraw/zinc/55/53/51/1313555351.db2.gz SQGSHKZVEYHMIJ-UHFFFAOYSA-N 2 2 337.895 2.703 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236930786 1313556108 /nfs/dbraw/zinc/55/61/08/1313556108.db2.gz NZTPLGLFNOGXAQ-IRXDYDNUSA-N 2 2 349.906 2.560 20 10 EFCDLP CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941975 1313558360 /nfs/dbraw/zinc/55/83/60/1313558360.db2.gz HZCUWLXPNXAGPV-LJQANCHMSA-N 2 2 333.451 2.521 20 10 EFCDLP CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941975 1313558362 /nfs/dbraw/zinc/55/83/62/1313558362.db2.gz HZCUWLXPNXAGPV-LJQANCHMSA-N 2 2 333.451 2.521 20 10 EFCDLP COCCC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236948246 1313559257 /nfs/dbraw/zinc/55/92/57/1313559257.db2.gz RFZQLJGJPYMLFX-FQEVSTJZSA-N 2 2 331.504 2.877 20 10 EFCDLP COCCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236948246 1313559258 /nfs/dbraw/zinc/55/92/58/1313559258.db2.gz RFZQLJGJPYMLFX-FQEVSTJZSA-N 2 2 331.504 2.877 20 10 EFCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC001237090959 1313585100 /nfs/dbraw/zinc/58/51/00/1313585100.db2.gz UCZYQHXJBHOWNN-UHFFFAOYSA-N 2 2 338.293 2.795 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC001237090959 1313585103 /nfs/dbraw/zinc/58/51/03/1313585103.db2.gz UCZYQHXJBHOWNN-UHFFFAOYSA-N 2 2 338.293 2.795 20 10 EFCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062436 1313579496 /nfs/dbraw/zinc/57/94/96/1313579496.db2.gz NTZCJCNVEMGUFU-WFASDCNBSA-N 2 2 344.377 2.859 20 10 EFCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062436 1313579499 /nfs/dbraw/zinc/57/94/99/1313579499.db2.gz NTZCJCNVEMGUFU-WFASDCNBSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062436 1313579502 /nfs/dbraw/zinc/57/95/02/1313579502.db2.gz NTZCJCNVEMGUFU-WFASDCNBSA-N 2 2 344.377 2.859 20 10 EFCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]21 ZINC001237062436 1313579504 /nfs/dbraw/zinc/57/95/04/1313579504.db2.gz NTZCJCNVEMGUFU-WFASDCNBSA-N 2 2 344.377 2.859 20 10 EFCDLP COCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C1CC[NH+](C)CC1 ZINC001237138849 1313592206 /nfs/dbraw/zinc/59/22/06/1313592206.db2.gz HKXBHUBWEPXRBE-UHFFFAOYSA-N 2 2 346.393 2.954 20 10 EFCDLP COCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C1CC[NH+](C)CC1 ZINC001237138849 1313592208 /nfs/dbraw/zinc/59/22/08/1313592208.db2.gz HKXBHUBWEPXRBE-UHFFFAOYSA-N 2 2 346.393 2.954 20 10 EFCDLP C[NH2+]CCC[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001237250783 1313612936 /nfs/dbraw/zinc/61/29/36/1313612936.db2.gz XWBCXMKRURYHCV-UHFFFAOYSA-N 2 2 339.483 2.997 20 10 EFCDLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1O ZINC001238063913 1313754027 /nfs/dbraw/zinc/75/40/27/1313754027.db2.gz MSBZDDJLVSVGAG-QZTJIDSGSA-N 2 2 341.430 2.799 20 10 EFCDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369489 1302352084 /nfs/dbraw/zinc/35/20/84/1302352084.db2.gz USYXRJHYFZTKFK-SMDDNHRTSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1c(O)cccc1Br ZINC000862369489 1302352097 /nfs/dbraw/zinc/35/20/97/1302352097.db2.gz USYXRJHYFZTKFK-SMDDNHRTSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1c(O)cccc1Br ZINC000862369489 1302352102 /nfs/dbraw/zinc/35/21/02/1302352102.db2.gz USYXRJHYFZTKFK-SMDDNHRTSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1c(O)cccc1Br ZINC000862369489 1302352114 /nfs/dbraw/zinc/35/21/14/1302352114.db2.gz USYXRJHYFZTKFK-SMDDNHRTSA-N 2 2 327.266 2.927 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000863646509 1302667119 /nfs/dbraw/zinc/66/71/19/1302667119.db2.gz LHNWDDRMQQAQCA-OLZOCXBDSA-N 2 2 333.373 2.851 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000863646509 1302667129 /nfs/dbraw/zinc/66/71/29/1302667129.db2.gz LHNWDDRMQQAQCA-OLZOCXBDSA-N 2 2 333.373 2.851 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CC[NH2+]C[C@H](O)C2)c(O)c1 ZINC001210476128 1314338870 /nfs/dbraw/zinc/33/88/70/1314338870.db2.gz SDXDFMOCMWDEOZ-IBGZPJMESA-N 2 2 349.519 2.565 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CC[NH2+]C[C@H](O)C2)c(O)c1 ZINC001210476128 1314338874 /nfs/dbraw/zinc/33/88/74/1314338874.db2.gz SDXDFMOCMWDEOZ-IBGZPJMESA-N 2 2 349.519 2.565 20 10 EFCDLP [NH3+]CC1(F)CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001222548320 1311151155 /nfs/dbraw/zinc/15/11/55/1311151155.db2.gz GAZWEGURMJWZNL-UHFFFAOYSA-N 2 2 335.192 2.557 20 10 EFCDLP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845050 1312573543 /nfs/dbraw/zinc/57/35/43/1312573543.db2.gz WPWWGAUUEFXGDY-KDURUIRLSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845050 1312573544 /nfs/dbraw/zinc/57/35/44/1312573544.db2.gz WPWWGAUUEFXGDY-KDURUIRLSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845050 1312573547 /nfs/dbraw/zinc/57/35/47/1312573547.db2.gz WPWWGAUUEFXGDY-KDURUIRLSA-N 2 2 337.467 2.968 20 10 EFCDLP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845050 1312573550 /nfs/dbraw/zinc/57/35/50/1312573550.db2.gz WPWWGAUUEFXGDY-KDURUIRLSA-N 2 2 337.467 2.968 20 10 EFCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccn1 ZINC001318341033 1328559009 /nfs/dbraw/zinc/55/90/09/1328559009.db2.gz YHIVXDXIOYOACY-HNNXBMFYSA-N 2 2 328.435 2.823 20 10 EFCDLP CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2)cc1 ZINC001219203338 1315289994 /nfs/dbraw/zinc/28/99/94/1315289994.db2.gz FLORPGPPYBUUSJ-RTLBZRNLSA-N 2 2 338.455 2.538 20 10 EFCDLP Oc1c(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)ccc2ccccc21 ZINC001279438296 1317263618 /nfs/dbraw/zinc/26/36/18/1317263618.db2.gz YBAIIEBIJWAUEF-UHFFFAOYSA-N 2 2 348.450 2.702 20 10 EFCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1ccccn1 ZINC001323846560 1329578074 /nfs/dbraw/zinc/57/80/74/1329578074.db2.gz YHPMWWOVAGMAGU-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1ccccn1 ZINC001323846560 1329578076 /nfs/dbraw/zinc/57/80/76/1329578076.db2.gz YHPMWWOVAGMAGU-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC001339602690 1331910056 /nfs/dbraw/zinc/91/00/56/1331910056.db2.gz AFLCCZRAUMEWHS-QRWLVFNGSA-N 2 2 347.478 2.577 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC001339602690 1331910058 /nfs/dbraw/zinc/91/00/58/1331910058.db2.gz AFLCCZRAUMEWHS-QRWLVFNGSA-N 2 2 347.478 2.577 20 10 EFCDLP c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001346539709 1332654893 /nfs/dbraw/zinc/65/48/93/1332654893.db2.gz FZLQZORWJRVRJL-HXUWFJFHSA-N 2 2 343.515 2.974 20 10 EFCDLP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001346539709 1332654900 /nfs/dbraw/zinc/65/49/00/1332654900.db2.gz FZLQZORWJRVRJL-HXUWFJFHSA-N 2 2 343.515 2.974 20 10 EFCDLP Fc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1N1CCOCC1 ZINC000848575654 1334803978 /nfs/dbraw/zinc/80/39/78/1334803978.db2.gz URHNGCNDMAYWOF-AZUAARDMSA-N 2 2 347.478 2.769 20 10 EFCDLP Fc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1N1CCOCC1 ZINC000848575654 1334803985 /nfs/dbraw/zinc/80/39/85/1334803985.db2.gz URHNGCNDMAYWOF-AZUAARDMSA-N 2 2 347.478 2.769 20 10 EFCDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849077857 1335070184 /nfs/dbraw/zinc/07/01/84/1335070184.db2.gz QSLNFZIXVDTIOW-GFCCVEGCSA-N 2 2 345.274 2.797 20 10 EFCDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849077857 1335070185 /nfs/dbraw/zinc/07/01/85/1335070185.db2.gz QSLNFZIXVDTIOW-GFCCVEGCSA-N 2 2 345.274 2.797 20 10 EFCDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000048797601 715508269 /nfs/dbraw/zinc/50/82/69/715508269.db2.gz LILJJLWRHGZOIN-GFCCVEGCSA-N 2 2 327.266 2.975 20 10 EFCDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000048797601 715508273 /nfs/dbraw/zinc/50/82/73/715508273.db2.gz LILJJLWRHGZOIN-GFCCVEGCSA-N 2 2 327.266 2.975 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ncc[nH]3)cc2F)CC1 ZINC000286323585 717139896 /nfs/dbraw/zinc/13/98/96/717139896.db2.gz XRUYFBSDSLFVDP-AWEZNQCLSA-N 2 2 331.439 2.542 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nonc3C)cc2F)CC1 ZINC000924995831 722044272 /nfs/dbraw/zinc/04/42/72/722044272.db2.gz JQNJEBZLNGZEJO-CYBMUJFWSA-N 2 2 347.438 2.510 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nonc3C)cc2F)CC1 ZINC000924995832 722044623 /nfs/dbraw/zinc/04/46/23/722044623.db2.gz JQNJEBZLNGZEJO-ZDUSSCGKSA-N 2 2 347.438 2.510 20 10 EFCDLP Oc1cc2c(cc1C[NH+]1CCC(Nc3cccc[nH+]3)CC1)OCO2 ZINC000896198879 723192694 /nfs/dbraw/zinc/19/26/94/723192694.db2.gz WXBGHRPRDHXDRT-UHFFFAOYSA-N 2 2 327.384 2.592 20 10 EFCDLP Cc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000911667296 727576651 /nfs/dbraw/zinc/57/66/51/727576651.db2.gz PQGQSOHCAPDZFY-QGZVFWFLSA-N 2 2 326.444 2.503 20 10 EFCDLP C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CC[NH2+]C3(C)C)cc2F)C[C@@H](C)O1 ZINC000925480435 729189780 /nfs/dbraw/zinc/18/97/80/729189780.db2.gz MDILVPPXWFCRMG-LBTNJELSSA-N 2 2 335.467 2.669 20 10 EFCDLP COC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H](C)CC[NH2+][C@H]3C)cc2)CC1 ZINC001578941060 1090484074 /nfs/dbraw/zinc/48/40/74/1090484074.db2.gz NUVYOUFADVJCQQ-TWOQFEAHSA-N 2 2 331.504 2.778 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001580886133 1091035773 /nfs/dbraw/zinc/03/57/73/1091035773.db2.gz ZZWXPJPDLLKLLL-UHFFFAOYSA-N 2 2 343.240 2.869 20 10 EFCDLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952393 1093191616 /nfs/dbraw/zinc/19/16/16/1093191616.db2.gz SPPZABNAFZZPFD-NSHDSACASA-N 2 2 344.463 2.532 20 10 EFCDLP Cn1c[nH+]c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC001167431294 1101616127 /nfs/dbraw/zinc/61/61/27/1101616127.db2.gz QNACHHKFFGNEJA-UHFFFAOYSA-N 2 2 335.455 2.937 20 10 EFCDLP CCOCc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1OC ZINC000904462610 1107937790 /nfs/dbraw/zinc/93/77/90/1107937790.db2.gz XJHSRYQDZGNSDO-UYAOXDASSA-N 2 2 326.440 2.946 20 10 EFCDLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898449414 1108943366 /nfs/dbraw/zinc/94/33/66/1108943366.db2.gz DYVSJLCFZKBJPX-FQEVSTJZSA-N 2 2 332.536 2.819 20 10 EFCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(O)c(Br)cc1O ZINC001236762197 1117929729 /nfs/dbraw/zinc/92/97/29/1117929729.db2.gz MJBXLEKTRNBXRK-UHFFFAOYSA-N 2 2 331.254 2.634 20 10 EFCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(O)c(Br)cc1O ZINC001236762197 1117929731 /nfs/dbraw/zinc/92/97/31/1117929731.db2.gz MJBXLEKTRNBXRK-UHFFFAOYSA-N 2 2 331.254 2.634 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nccn3C)cc2F)CC1 ZINC000182885771 1118670071 /nfs/dbraw/zinc/67/00/71/1118670071.db2.gz PWNPWFLDAWTLHD-OAHLLOKOSA-N 2 2 345.466 2.552 20 10 EFCDLP Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172935504 239176626 /nfs/dbraw/zinc/17/66/26/239176626.db2.gz JLNPPQCQTQDAJL-INIZCTEOSA-N 2 2 326.440 2.700 20 10 EFCDLP Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172935504 239176633 /nfs/dbraw/zinc/17/66/33/239176633.db2.gz JLNPPQCQTQDAJL-INIZCTEOSA-N 2 2 326.440 2.700 20 10 EFCDLP CC[N@H+](CCc1c[nH+]cn1C)Cc1cc(Br)ccc1O ZINC000297865979 241135018 /nfs/dbraw/zinc/13/50/18/241135018.db2.gz PMOZEHSEZGVHRG-UHFFFAOYSA-N 2 2 338.249 2.953 20 10 EFCDLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1cc(Br)ccc1O ZINC000297865979 241135022 /nfs/dbraw/zinc/13/50/22/241135022.db2.gz PMOZEHSEZGVHRG-UHFFFAOYSA-N 2 2 338.249 2.953 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715354 242306203 /nfs/dbraw/zinc/30/62/03/242306203.db2.gz DFABYKLSQIJDIK-DIOULYMOSA-N 2 2 342.842 2.868 20 10 EFCDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(O)ccc(Cl)c1F ZINC000364715354 242306207 /nfs/dbraw/zinc/30/62/07/242306207.db2.gz DFABYKLSQIJDIK-DIOULYMOSA-N 2 2 342.842 2.868 20 10 EFCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992259 473295201 /nfs/dbraw/zinc/29/52/01/473295201.db2.gz QXITWZQGZHGGRY-VQIMIIECSA-N 2 2 340.467 2.770 20 10 EFCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992259 473295206 /nfs/dbraw/zinc/29/52/06/473295206.db2.gz QXITWZQGZHGGRY-VQIMIIECSA-N 2 2 340.467 2.770 20 10 EFCDLP C[NH+]1CCN(c2ccc(NCc3c(O)cccc3Cl)[nH+]c2)CC1 ZINC000131539031 472676655 /nfs/dbraw/zinc/67/66/55/472676655.db2.gz PZVICXZEWUVQHY-UHFFFAOYSA-N 2 2 332.835 2.805 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000123154573 473104102 /nfs/dbraw/zinc/10/41/02/473104102.db2.gz NTMDEVQECPYJCV-WBVHZDCISA-N 2 2 329.488 2.879 20 10 EFCDLP COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc1 ZINC000123154573 473104108 /nfs/dbraw/zinc/10/41/08/473104108.db2.gz NTMDEVQECPYJCV-WBVHZDCISA-N 2 2 329.488 2.879 20 10 EFCDLP CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(O)c1 ZINC000275502813 474212854 /nfs/dbraw/zinc/21/28/54/474212854.db2.gz JUGXRBWTDHYCAM-KXBFYZLASA-N 2 2 345.443 2.924 20 10 EFCDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000289309844 474220438 /nfs/dbraw/zinc/22/04/38/474220438.db2.gz RXGBAUILHGIZHS-UHFFFAOYSA-N 2 2 325.456 2.949 20 10 EFCDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525505 474575387 /nfs/dbraw/zinc/57/53/87/474575387.db2.gz QGZHHFNTOOEGLG-BXUZGUMPSA-N 2 2 327.266 2.927 20 10 EFCDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1O ZINC000290525505 474575394 /nfs/dbraw/zinc/57/53/94/474575394.db2.gz QGZHHFNTOOEGLG-BXUZGUMPSA-N 2 2 327.266 2.927 20 10 EFCDLP COc1c(O)c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278573678 474712809 /nfs/dbraw/zinc/71/28/09/474712809.db2.gz DEULRVPGGQCSBR-AWEZNQCLSA-N 2 2 339.436 2.765 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644138 474752969 /nfs/dbraw/zinc/75/29/69/474752969.db2.gz HSRSZGGSFNISMY-WDEREUQCSA-N 2 2 332.275 2.595 20 10 EFCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Cl)c(Cl)cc1O ZINC000278644138 474752975 /nfs/dbraw/zinc/75/29/75/474752975.db2.gz HSRSZGGSFNISMY-WDEREUQCSA-N 2 2 332.275 2.595 20 10 EFCDLP CCCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278849695 474871046 /nfs/dbraw/zinc/87/10/46/474871046.db2.gz KWUZMIZZIDDCKG-UHFFFAOYSA-N 2 2 337.420 2.663 20 10 EFCDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1C ZINC000273604018 474986573 /nfs/dbraw/zinc/98/65/73/474986573.db2.gz SOEZMHSRAWLFMH-FUHWJXTLSA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1C ZINC000273604018 474986579 /nfs/dbraw/zinc/98/65/79/474986579.db2.gz SOEZMHSRAWLFMH-FUHWJXTLSA-N 2 2 347.503 2.602 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)cc1 ZINC000268879912 475047836 /nfs/dbraw/zinc/04/78/36/475047836.db2.gz HQCJMEJAVPBHOB-PXNSSMCTSA-N 2 2 330.520 2.573 20 10 EFCDLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1O ZINC000286017002 475049395 /nfs/dbraw/zinc/04/93/95/475049395.db2.gz IKVSKYKSPFFJED-OKZBNKHCSA-N 2 2 336.451 2.950 20 10 EFCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000293782625 475051320 /nfs/dbraw/zinc/05/13/20/475051320.db2.gz ZJJNWLZYCSNKRJ-QGZVFWFLSA-N 2 2 346.858 2.554 20 10 EFCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000293782625 475051329 /nfs/dbraw/zinc/05/13/29/475051329.db2.gz ZJJNWLZYCSNKRJ-QGZVFWFLSA-N 2 2 346.858 2.554 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961083 475096288 /nfs/dbraw/zinc/09/62/88/475096288.db2.gz XISOEQYIGBDJJJ-WMZOPIPTSA-N 2 2 348.510 2.712 20 10 EFCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268961083 475096296 /nfs/dbraw/zinc/09/62/96/475096296.db2.gz XISOEQYIGBDJJJ-WMZOPIPTSA-N 2 2 348.510 2.712 20 10 EFCDLP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287572428 475199793 /nfs/dbraw/zinc/19/97/93/475199793.db2.gz GWQUXZRHCNYWNB-PBHICJAKSA-N 2 2 339.911 2.970 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375021044 476641807 /nfs/dbraw/zinc/64/18/07/476641807.db2.gz NVYHUSYLJXIYNI-RHSMWYFYSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375021044 476641811 /nfs/dbraw/zinc/64/18/11/476641811.db2.gz NVYHUSYLJXIYNI-RHSMWYFYSA-N 2 2 337.895 2.503 20 10 EFCDLP C[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110786 476670885 /nfs/dbraw/zinc/67/08/85/476670885.db2.gz JFLNXLYWBHNCHG-KRWDZBQOSA-N 2 2 337.895 2.694 20 10 EFCDLP C[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110786 476670889 /nfs/dbraw/zinc/67/08/89/476670889.db2.gz JFLNXLYWBHNCHG-KRWDZBQOSA-N 2 2 337.895 2.694 20 10 EFCDLP C[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000370110786 476670891 /nfs/dbraw/zinc/67/08/91/476670891.db2.gz JFLNXLYWBHNCHG-KRWDZBQOSA-N 2 2 337.895 2.694 20 10 EFCDLP Cc1cc(Br)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000368319900 477798565 /nfs/dbraw/zinc/79/85/65/477798565.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000368319900 477798570 /nfs/dbraw/zinc/79/85/70/477798570.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000368319900 477798574 /nfs/dbraw/zinc/79/85/74/477798574.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000368319900 477798580 /nfs/dbraw/zinc/79/85/80/477798580.db2.gz ZGWVFGHUKIMZMH-MRXNPFEDSA-N 2 2 339.277 2.991 20 10 EFCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000756400943 575731247 /nfs/dbraw/zinc/73/12/47/575731247.db2.gz GLZLGFWZWWHABI-CYBMUJFWSA-N 2 2 343.427 2.605 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1O ZINC000756459912 575742684 /nfs/dbraw/zinc/74/26/84/575742684.db2.gz QECCXDGDHRYRHZ-GHMZBOCLSA-N 2 2 333.259 2.806 20 10 EFCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647146 576320984 /nfs/dbraw/zinc/32/09/84/576320984.db2.gz DPVROGFUQMUXLV-OLZOCXBDSA-N 2 2 328.403 2.822 20 10 EFCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000762647146 576320985 /nfs/dbraw/zinc/32/09/85/576320985.db2.gz DPVROGFUQMUXLV-OLZOCXBDSA-N 2 2 328.403 2.822 20 10 EFCDLP COc1ccc(N2CCC([NH2+]C[C@@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC000766437515 577149859 /nfs/dbraw/zinc/14/98/59/577149859.db2.gz CYWMDJBPSQQDLV-IBGZPJMESA-N 2 2 349.544 2.691 20 10 EFCDLP CN(C)c1ccc(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1 ZINC000768886200 577314237 /nfs/dbraw/zinc/31/42/37/577314237.db2.gz NXIAIDDGTOQKPL-UHFFFAOYSA-N 2 2 332.517 2.752 20 10 EFCDLP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000771844922 581249864 /nfs/dbraw/zinc/24/98/64/581249864.db2.gz XUTDYQUUXIMMBW-GOSISDBHSA-N 2 2 347.503 2.648 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C)c(C)[nH]3)cc2F)CC1 ZINC000850127082 1250296204 /nfs/dbraw/zinc/29/62/04/1250296204.db2.gz TUDIDUBBUYQQGM-UHFFFAOYSA-N 2 2 345.466 2.597 20 10 EFCDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2c1c(F)ccc2O ZINC000850557753 1250535714 /nfs/dbraw/zinc/53/57/14/1250535714.db2.gz SDWBYCLMQHGQTN-XNRPHZJLSA-N 2 2 334.435 2.923 20 10 EFCDLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000702554627 1271479973 /nfs/dbraw/zinc/47/99/73/1271479973.db2.gz WVLBVKHMUXBZRE-OAQYLSRUSA-N 2 2 340.467 2.730 20 10 EFCDLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000702554627 1271479978 /nfs/dbraw/zinc/47/99/78/1271479978.db2.gz WVLBVKHMUXBZRE-OAQYLSRUSA-N 2 2 340.467 2.730 20 10 EFCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566416 1271494359 /nfs/dbraw/zinc/49/43/59/1271494359.db2.gz HJXVCYRPHNXLIY-FOIQADDNSA-N 2 2 344.430 2.819 20 10 EFCDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000702566416 1271494368 /nfs/dbraw/zinc/49/43/68/1271494368.db2.gz HJXVCYRPHNXLIY-FOIQADDNSA-N 2 2 344.430 2.819 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C(C)(C)OC)CC2)cc1 ZINC000788507075 1276204067 /nfs/dbraw/zinc/20/40/67/1276204067.db2.gz NOYZZSUJCRNBJI-KRWDZBQOSA-N 2 2 349.519 2.610 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C(C)(C)OC)CC2)cc1 ZINC000788507076 1276204785 /nfs/dbraw/zinc/20/47/85/1276204785.db2.gz NOYZZSUJCRNBJI-QGZVFWFLSA-N 2 2 349.519 2.610 20 10 EFCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817888163 1276347129 /nfs/dbraw/zinc/34/71/29/1276347129.db2.gz JDYCIMBZOOKJDQ-BASYENTBSA-N 2 2 335.467 2.669 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2F)CC1 ZINC000817902107 1276367515 /nfs/dbraw/zinc/36/75/15/1276367515.db2.gz IGRDCTPYAWCCCD-MOPGFXCFSA-N 3 2 348.510 2.717 20 10 EFCDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901565 1276367800 /nfs/dbraw/zinc/36/78/00/1276367800.db2.gz WZSUNNCWLCZOOK-CKEIUWERSA-N 2 2 339.430 2.844 20 10 EFCDLP CCN(CC)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1F ZINC000817903941 1276369302 /nfs/dbraw/zinc/36/93/02/1276369302.db2.gz XKCGDVOJPAEJEW-OALUTQOASA-N 2 2 335.467 2.529 20 10 EFCDLP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817941801 1276387551 /nfs/dbraw/zinc/38/75/51/1276387551.db2.gz RWMAZMVVKAVVAS-SECBINFHSA-N 2 2 331.229 2.944 20 10 EFCDLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958984 1276399642 /nfs/dbraw/zinc/39/96/42/1276399642.db2.gz NZZRJMAPAVWRAS-DYVFJYSZSA-N 2 2 325.884 2.811 20 10 EFCDLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817958987 1276399812 /nfs/dbraw/zinc/39/98/12/1276399812.db2.gz NZZRJMAPAVWRAS-SUMWQHHRSA-N 2 2 325.884 2.811 20 10 EFCDLP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000809741402 1282441008 /nfs/dbraw/zinc/44/10/08/1282441008.db2.gz OHFPEZSLRGUACF-UHFFFAOYSA-N 2 2 334.291 2.624 20 10 EFCDLP C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)N1CC[NH+](C)CC1 ZINC000815576824 1287609144 /nfs/dbraw/zinc/60/91/44/1287609144.db2.gz ZFYXPPBRBPMGHO-CHWSQXEVSA-N 2 2 345.409 2.698 20 10 EFCDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)N1CC[NH+](C)CC1 ZINC000815576825 1287609335 /nfs/dbraw/zinc/60/93/35/1287609335.db2.gz ZFYXPPBRBPMGHO-OLZOCXBDSA-N 2 2 345.409 2.698 20 10 EFCDLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000815573662 1287631560 /nfs/dbraw/zinc/63/15/60/1287631560.db2.gz PUDIJCUBIUCXGF-SJORKVTESA-N 2 2 347.503 2.602 20 10 EFCDLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000815573662 1287631571 /nfs/dbraw/zinc/63/15/71/1287631571.db2.gz PUDIJCUBIUCXGF-SJORKVTESA-N 2 2 347.503 2.602 20 10 EFCDLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000824559385 1289699486 /nfs/dbraw/zinc/69/94/86/1289699486.db2.gz RZKGEVTXAOIKJQ-FQEVSTJZSA-N 2 2 331.504 2.613 20 10 EFCDLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000824559385 1289699493 /nfs/dbraw/zinc/69/94/93/1289699493.db2.gz RZKGEVTXAOIKJQ-FQEVSTJZSA-N 2 2 331.504 2.613 20 10 EFCDLP Fc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1N1CCOCC1 ZINC000092648646 1290797520 /nfs/dbraw/zinc/79/75/20/1290797520.db2.gz USCQZWJXRCBBKF-UHFFFAOYSA-N 2 2 344.434 2.696 20 10 EFCDLP C[N@@H+](Cc1cc(O)c(O)c(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233017576 1312833306 /nfs/dbraw/zinc/83/33/06/1312833306.db2.gz XQELMMMDKNMUPQ-INIZCTEOSA-N 2 2 342.439 2.757 20 10 EFCDLP C[N@H+](Cc1cc(O)c(O)c(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233017576 1312833310 /nfs/dbraw/zinc/83/33/10/1312833310.db2.gz XQELMMMDKNMUPQ-INIZCTEOSA-N 2 2 342.439 2.757 20 10 EFCDLP C[NH+](Cc1cc(O)c(O)c(O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233017576 1312833315 /nfs/dbraw/zinc/83/33/15/1312833315.db2.gz XQELMMMDKNMUPQ-INIZCTEOSA-N 2 2 342.439 2.757 20 10 EFCDLP C[NH+](Cc1cc(O)c(O)c(O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233017576 1312833319 /nfs/dbraw/zinc/83/33/19/1312833319.db2.gz XQELMMMDKNMUPQ-INIZCTEOSA-N 2 2 342.439 2.757 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000877619452 1291292924 /nfs/dbraw/zinc/29/29/24/1291292924.db2.gz ZJULXFZKUWQJFB-LEWJYISDSA-N 2 2 343.515 2.754 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000877619452 1291292955 /nfs/dbraw/zinc/29/29/55/1291292955.db2.gz ZJULXFZKUWQJFB-LEWJYISDSA-N 2 2 343.515 2.754 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000877619453 1291293139 /nfs/dbraw/zinc/29/31/39/1291293139.db2.gz ZJULXFZKUWQJFB-NHCUHLMSSA-N 2 2 343.515 2.754 20 10 EFCDLP OC1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000877619453 1291293143 /nfs/dbraw/zinc/29/31/43/1291293143.db2.gz ZJULXFZKUWQJFB-NHCUHLMSSA-N 2 2 343.515 2.754 20 10 EFCDLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001205580183 1292806712 /nfs/dbraw/zinc/80/67/12/1292806712.db2.gz RBMBYGRRMDKTMK-CQSZACIVSA-N 2 2 349.219 2.947 20 10 EFCDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203648731 1312980510 /nfs/dbraw/zinc/98/05/10/1312980510.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 2 2 325.250 2.538 20 10 EFCDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203648731 1312980514 /nfs/dbraw/zinc/98/05/14/1312980514.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 2 2 325.250 2.538 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203648731 1312980518 /nfs/dbraw/zinc/98/05/18/1312980518.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 2 2 325.250 2.538 20 10 EFCDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203648731 1312980522 /nfs/dbraw/zinc/98/05/22/1312980522.db2.gz RLSRBXSSDUAVGQ-BETUJISGSA-N 2 2 325.250 2.538 20 10 EFCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203671141 1312985632 /nfs/dbraw/zinc/98/56/32/1312985632.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(O)c(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203671141 1312985636 /nfs/dbraw/zinc/98/56/36/1312985636.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(O)c(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203671141 1312985640 /nfs/dbraw/zinc/98/56/40/1312985640.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(O)c(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203671141 1312985644 /nfs/dbraw/zinc/98/56/44/1312985644.db2.gz KMZWYXTWMWKMQK-HXUWFJFHSA-N 2 2 348.487 2.724 20 10 EFCDLP Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c(C)[nH+]1 ZINC000882880169 1293367172 /nfs/dbraw/zinc/36/71/72/1293367172.db2.gz FETLZOARIIOMAE-UHFFFAOYSA-N 2 2 325.460 2.766 20 10 EFCDLP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(F)cc(F)c2O)C[C@@H](C)O1 ZINC000883015287 1293431275 /nfs/dbraw/zinc/43/12/75/1293431275.db2.gz OGQFEFAFIYJIEF-CHWSQXEVSA-N 2 2 328.403 2.649 20 10 EFCDLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203877352 1313039510 /nfs/dbraw/zinc/03/95/10/1313039510.db2.gz DUVIRJIZKSNNHW-GJZGRUSLSA-N 2 2 330.453 2.723 20 10 EFCDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203933707 1313050419 /nfs/dbraw/zinc/05/04/19/1313050419.db2.gz GPRQSAZHYMUIAW-FQEVSTJZSA-N 2 2 331.504 2.828 20 10 EFCDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203933707 1313050423 /nfs/dbraw/zinc/05/04/23/1313050423.db2.gz GPRQSAZHYMUIAW-FQEVSTJZSA-N 2 2 331.504 2.828 20 10 EFCDLP Oc1cccc(F)c1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001276354441 1294572458 /nfs/dbraw/zinc/57/24/58/1294572458.db2.gz VAAJBJSCEBNKSA-UHFFFAOYSA-N 2 2 329.419 2.957 20 10 EFCDLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(O)c1O ZINC001204348227 1313127359 /nfs/dbraw/zinc/12/73/59/1313127359.db2.gz ACPICUOCOZORPK-UHFFFAOYSA-N 2 2 339.395 2.924 20 10 EFCDLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(O)c1O ZINC001204348227 1313127362 /nfs/dbraw/zinc/12/73/62/1313127362.db2.gz ACPICUOCOZORPK-UHFFFAOYSA-N 2 2 339.395 2.924 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H](O)C2)c(O)c1 ZINC001204954669 1313214863 /nfs/dbraw/zinc/21/48/63/1313214863.db2.gz HUMBNLSZWOLNOI-IEBWSBKVSA-N 2 2 349.519 2.693 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H](O)C2)c(O)c1 ZINC001204954669 1313214865 /nfs/dbraw/zinc/21/48/65/1313214865.db2.gz HUMBNLSZWOLNOI-IEBWSBKVSA-N 2 2 349.519 2.693 20 10 EFCDLP CC(C)(C)c1cc(O)c(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001234973339 1313215353 /nfs/dbraw/zinc/21/53/53/1313215353.db2.gz HALRVKHCDWRYJK-CXAGYDPISA-N 2 2 338.879 2.763 20 10 EFCDLP CC(C)(C)c1cc(O)c(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001234973339 1313215357 /nfs/dbraw/zinc/21/53/57/1313215357.db2.gz HALRVKHCDWRYJK-CXAGYDPISA-N 2 2 338.879 2.763 20 10 EFCDLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3O)(C1)CCC2 ZINC001275913853 1296448767 /nfs/dbraw/zinc/44/87/67/1296448767.db2.gz RTFDKUHTGJSWJR-RBUKOAKNSA-N 2 2 335.467 2.618 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618110 1313323885 /nfs/dbraw/zinc/32/38/85/1313323885.db2.gz RNXDDSBDMNORDQ-GXTWGEPZSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205618110 1313323888 /nfs/dbraw/zinc/32/38/88/1313323888.db2.gz RNXDDSBDMNORDQ-GXTWGEPZSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205787106 1313356483 /nfs/dbraw/zinc/35/64/83/1313356483.db2.gz FPQYTWGPWXURCO-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205787106 1313356486 /nfs/dbraw/zinc/35/64/86/1313356486.db2.gz FPQYTWGPWXURCO-NSHDSACASA-N 2 2 349.219 2.879 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003468 1313389734 /nfs/dbraw/zinc/38/97/34/1313389734.db2.gz IHHGBRPYYZWMQB-UONOGXRCSA-N 2 2 330.428 2.614 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206003468 1313389738 /nfs/dbraw/zinc/38/97/38/1313389738.db2.gz IHHGBRPYYZWMQB-UONOGXRCSA-N 2 2 330.428 2.614 20 10 EFCDLP COCCC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808539 1313402035 /nfs/dbraw/zinc/40/20/35/1313402035.db2.gz UVYKTCAWYLCPQC-FQEVSTJZSA-N 2 2 331.504 2.877 20 10 EFCDLP COCCC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235808539 1313402037 /nfs/dbraw/zinc/40/20/37/1313402037.db2.gz UVYKTCAWYLCPQC-FQEVSTJZSA-N 2 2 331.504 2.877 20 10 EFCDLP CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001236005800 1313430717 /nfs/dbraw/zinc/43/07/17/1313430717.db2.gz FGZXZVDTHRXYQZ-INIZCTEOSA-N 2 2 337.895 2.751 20 10 EFCDLP CC[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001236005800 1313430718 /nfs/dbraw/zinc/43/07/18/1313430718.db2.gz FGZXZVDTHRXYQZ-INIZCTEOSA-N 2 2 337.895 2.751 20 10 EFCDLP CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005801 1313430965 /nfs/dbraw/zinc/43/09/65/1313430965.db2.gz FGZXZVDTHRXYQZ-MRXNPFEDSA-N 2 2 337.895 2.751 20 10 EFCDLP CC[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005801 1313430968 /nfs/dbraw/zinc/43/09/68/1313430968.db2.gz FGZXZVDTHRXYQZ-MRXNPFEDSA-N 2 2 337.895 2.751 20 10 EFCDLP Oc1c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236239336 1313459535 /nfs/dbraw/zinc/45/95/35/1313459535.db2.gz JXIIWDICPYWFHB-SFHVURJKSA-N 2 2 341.499 2.807 20 10 EFCDLP Oc1c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236239336 1313459536 /nfs/dbraw/zinc/45/95/36/1313459536.db2.gz JXIIWDICPYWFHB-SFHVURJKSA-N 2 2 341.499 2.807 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236932103 1313556218 /nfs/dbraw/zinc/55/62/18/1313556218.db2.gz NSJDYSMVUWTNLX-ZWKOTPCHSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236932103 1313556221 /nfs/dbraw/zinc/55/62/21/1313556221.db2.gz NSJDYSMVUWTNLX-ZWKOTPCHSA-N 2 2 341.421 2.850 20 10 EFCDLP C[NH+](C)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237050490 1313575693 /nfs/dbraw/zinc/57/56/93/1313575693.db2.gz BWAPFHKPDYYREA-UHFFFAOYSA-N 2 2 332.366 2.859 20 10 EFCDLP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852010336 1299502552 /nfs/dbraw/zinc/50/25/52/1299502552.db2.gz WVZMEMZUKXELJX-FQEVSTJZSA-N 2 2 331.504 2.829 20 10 EFCDLP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000852010336 1299502558 /nfs/dbraw/zinc/50/25/58/1299502558.db2.gz WVZMEMZUKXELJX-FQEVSTJZSA-N 2 2 331.504 2.829 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237413113 1313640864 /nfs/dbraw/zinc/64/08/64/1313640864.db2.gz JHMKHJXBZUFYGZ-LPHOPBHVSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237413113 1313640868 /nfs/dbraw/zinc/64/08/68/1313640868.db2.gz JHMKHJXBZUFYGZ-LPHOPBHVSA-N 2 2 349.906 2.751 20 10 EFCDLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(O)c(OC)c1 ZINC001237670168 1313688017 /nfs/dbraw/zinc/68/80/17/1313688017.db2.gz PVERPYQQBHZZDX-UHFFFAOYSA-N 2 2 344.411 2.848 20 10 EFCDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238065924 1313754411 /nfs/dbraw/zinc/75/44/11/1313754411.db2.gz CKIVOJJVAAUOBM-GOSISDBHSA-N 2 2 336.451 2.915 20 10 EFCDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238065924 1313754413 /nfs/dbraw/zinc/75/44/13/1313754413.db2.gz CKIVOJJVAAUOBM-GOSISDBHSA-N 2 2 336.451 2.915 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000863646511 1302667011 /nfs/dbraw/zinc/66/70/11/1302667011.db2.gz LHNWDDRMQQAQCA-STQMWFEESA-N 2 2 333.373 2.851 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000863646511 1302667024 /nfs/dbraw/zinc/66/70/24/1302667024.db2.gz LHNWDDRMQQAQCA-STQMWFEESA-N 2 2 333.373 2.851 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2ccccc2n(C)c1C(=O)OC ZINC001276663334 1314214707 /nfs/dbraw/zinc/21/47/07/1314214707.db2.gz ASKUOZRSVOSBBJ-GOOCMWNKSA-N 2 2 341.455 2.680 20 10 EFCDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2ccccc2n(C)c1C(=O)OC ZINC001276663334 1314214709 /nfs/dbraw/zinc/21/47/09/1314214709.db2.gz ASKUOZRSVOSBBJ-GOOCMWNKSA-N 2 2 341.455 2.680 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276826253 1311057582 /nfs/dbraw/zinc/05/75/82/1311057582.db2.gz MJWWPZHUSCFPQM-GASCZTMLSA-N 2 2 342.439 2.581 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276826253 1311057585 /nfs/dbraw/zinc/05/75/85/1311057585.db2.gz MJWWPZHUSCFPQM-GASCZTMLSA-N 2 2 342.439 2.581 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276826253 1311057589 /nfs/dbraw/zinc/05/75/89/1311057589.db2.gz MJWWPZHUSCFPQM-GASCZTMLSA-N 2 2 342.439 2.581 20 10 EFCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276826253 1311057592 /nfs/dbraw/zinc/05/75/92/1311057592.db2.gz MJWWPZHUSCFPQM-GASCZTMLSA-N 2 2 342.439 2.581 20 10 EFCDLP Cc1cc(C)c(CNc2cccc(N3CC[NH+](C)CC3)[nH+]2)c(O)c1 ZINC001160809840 1311786183 /nfs/dbraw/zinc/78/61/83/1311786183.db2.gz BEDBXHWUWJMQRW-UHFFFAOYSA-N 2 2 326.444 2.768 20 10 EFCDLP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231912481 1312587454 /nfs/dbraw/zinc/58/74/54/1312587454.db2.gz IPSNANXTZYMECS-UHFFFAOYSA-N 2 2 339.911 2.895 20 10 EFCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202387 1312648107 /nfs/dbraw/zinc/64/81/07/1312648107.db2.gz YNTCVRXIPYNISL-UHFFFAOYSA-N 2 2 348.878 2.895 20 10 EFCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202387 1312648112 /nfs/dbraw/zinc/64/81/12/1312648112.db2.gz YNTCVRXIPYNISL-UHFFFAOYSA-N 2 2 348.878 2.895 20 10 EFCDLP O=C1C[C@@H]2CC([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)C[C@H]2C1 ZINC001254933901 1315760646 /nfs/dbraw/zinc/76/06/46/1315760646.db2.gz HCZNBKBPLVTKBM-HOTGVXAUSA-N 2 2 328.456 2.704 20 10 EFCDLP [NH3+][C@H](c1ccccc1O)[C@H]([NH2+][C@H]1CCSC1)c1ccccc1O ZINC001255277448 1315799535 /nfs/dbraw/zinc/79/95/35/1315799535.db2.gz RZPCESYMWKYODO-JBBXEZCESA-N 2 2 330.453 2.934 20 10 EFCDLP Oc1ccccc1C[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071934 1315899062 /nfs/dbraw/zinc/89/90/62/1315899062.db2.gz DCDLSNUMFKMGNI-UHFFFAOYSA-N 3 2 329.488 2.573 20 10 EFCDLP Cc1c(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)c2ccccc2n1C ZINC001279539377 1317289992 /nfs/dbraw/zinc/28/99/92/1317289992.db2.gz CSORZGQCAFISMR-UHFFFAOYSA-N 2 2 349.482 2.501 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC4(CCCC4)C3)cc2F)CC1 ZINC001319710630 1328959548 /nfs/dbraw/zinc/95/95/48/1328959548.db2.gz BLFNCAKWIZJYLR-UHFFFAOYSA-N 2 2 347.478 2.723 20 10 EFCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CCCC4)C3)cc2F)CC1 ZINC001319710630 1328959551 /nfs/dbraw/zinc/95/95/51/1328959551.db2.gz BLFNCAKWIZJYLR-UHFFFAOYSA-N 2 2 347.478 2.723 20 10 EFCDLP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)nc1 ZINC001326219121 1329739420 /nfs/dbraw/zinc/73/94/20/1329739420.db2.gz LGSUWLAIUADVMO-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP Cc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)nc1 ZINC001326219121 1329739422 /nfs/dbraw/zinc/73/94/22/1329739422.db2.gz LGSUWLAIUADVMO-UHFFFAOYSA-N 2 2 342.462 2.913 20 10 EFCDLP C[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCC[NH+](C)C1 ZINC000092253705 726073117 /nfs/dbraw/zinc/07/31/17/726073117.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCC[NH+](C)C1 ZINC000092253705 726073119 /nfs/dbraw/zinc/07/31/19/726073119.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1cccc(Br)c1O)C[C@H]1CCC[N@H+](C)C1 ZINC000092253705 726073123 /nfs/dbraw/zinc/07/31/23/726073123.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1cccc(Br)c1O)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253705 726073126 /nfs/dbraw/zinc/07/31/26/726073126.db2.gz RSUGHGQOBWFKRP-LBPRGKRZSA-N 2 2 327.266 2.928 20 10 EFCDLP Oc1c(F)cc(F)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000893984922 720204725 /nfs/dbraw/zinc/20/47/25/720204725.db2.gz VEPOKKFGBOTKSK-UHFFFAOYSA-N 2 2 340.414 2.605 20 10 EFCDLP C[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1CCC[NH+](C)C1 ZINC000092253706 726073080 /nfs/dbraw/zinc/07/30/80/726073080.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[N@H+](Cc1cccc(Br)c1O)C[C@@H]1CCC[NH+](C)C1 ZINC000092253706 726073084 /nfs/dbraw/zinc/07/30/84/726073084.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1cccc(Br)c1O)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253706 726073088 /nfs/dbraw/zinc/07/30/88/726073088.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[NH+](Cc1cccc(Br)c1O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253706 726073091 /nfs/dbraw/zinc/07/30/91/726073091.db2.gz RSUGHGQOBWFKRP-GFCCVEGCSA-N 2 2 327.266 2.928 20 10 EFCDLP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2O1 ZINC001576861169 1089493197 /nfs/dbraw/zinc/49/31/97/1089493197.db2.gz BUSSBAQNZISFDO-AUUYWEPGSA-N 2 2 325.456 2.866 20 10 EFCDLP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(C)C[NH2+]CCO2)cc1 ZINC001578498356 1090386861 /nfs/dbraw/zinc/38/68/61/1090386861.db2.gz GQMOPNRTBVFVCD-IBGZPJMESA-N 2 2 345.512 2.853 20 10 EFCDLP [NH3+][C@H](C[NH2+]Cc1cccc(Br)c1O)CC(F)(F)F ZINC001580132983 1090784519 /nfs/dbraw/zinc/78/45/19/1090784519.db2.gz SMVIYNHIHPFWBL-QMMMGPOBSA-N 2 2 327.144 2.524 20 10 EFCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC001580885582 1091034163 /nfs/dbraw/zinc/03/41/63/1091034163.db2.gz FSXOEIKYOASVDY-GFCCVEGCSA-N 2 2 329.213 2.526 20 10 EFCDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001590688171 1093549429 /nfs/dbraw/zinc/54/94/29/1093549429.db2.gz XCULRDPHZYNWCC-UONOGXRCSA-N 2 2 346.479 2.733 20 10 EFCDLP CN(C)c1ccc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000898449333 1108943312 /nfs/dbraw/zinc/94/33/12/1108943312.db2.gz BPZDEFPOUOKITK-HXUWFJFHSA-N 2 2 330.520 2.572 20 10 EFCDLP C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000192832440 240067604 /nfs/dbraw/zinc/06/76/04/240067604.db2.gz GSBKAHDGTPWICJ-VXGBXAGGSA-N 2 2 346.302 2.986 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667240 285380485 /nfs/dbraw/zinc/38/04/85/285380485.db2.gz HKDGIJYNKBDKLU-OLZOCXBDSA-N 2 2 325.250 2.871 20 10 EFCDLP Oc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667240 285380486 /nfs/dbraw/zinc/38/04/86/285380486.db2.gz HKDGIJYNKBDKLU-OLZOCXBDSA-N 2 2 325.250 2.871 20 10 EFCDLP CC[NH+]1CCN(CCCC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113321512 544568763 /nfs/dbraw/zinc/56/87/63/544568763.db2.gz NLAYVPRYZCJSCE-UHFFFAOYSA-N 2 2 325.884 2.553 20 10 EFCDLP CCN1CC[NH+](CCCC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113321512 544568767 /nfs/dbraw/zinc/56/87/67/544568767.db2.gz NLAYVPRYZCJSCE-UHFFFAOYSA-N 2 2 325.884 2.553 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184992042 473295693 /nfs/dbraw/zinc/29/56/93/473295693.db2.gz SWAMYWXKIVFRQM-RDTXWAMCSA-N 2 2 344.430 2.601 20 10 EFCDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184992042 473295698 /nfs/dbraw/zinc/29/56/98/473295698.db2.gz SWAMYWXKIVFRQM-RDTXWAMCSA-N 2 2 344.430 2.601 20 10 EFCDLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185008276 473299451 /nfs/dbraw/zinc/29/94/51/473299451.db2.gz BUDZTPRRCWAFII-LBPRGKRZSA-N 2 2 345.281 2.774 20 10 EFCDLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185008276 473299460 /nfs/dbraw/zinc/29/94/60/473299460.db2.gz BUDZTPRRCWAFII-LBPRGKRZSA-N 2 2 345.281 2.774 20 10 EFCDLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185008294 473299652 /nfs/dbraw/zinc/29/96/52/473299652.db2.gz BUDZTPRRCWAFII-GFCCVEGCSA-N 2 2 345.281 2.774 20 10 EFCDLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185008294 473299659 /nfs/dbraw/zinc/29/96/59/473299659.db2.gz BUDZTPRRCWAFII-GFCCVEGCSA-N 2 2 345.281 2.774 20 10 EFCDLP CCOc1cccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1O ZINC000093079041 473039463 /nfs/dbraw/zinc/03/94/63/473039463.db2.gz OBYGCRRJFARVHJ-UHFFFAOYSA-N 2 2 343.427 2.517 20 10 EFCDLP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)N1CC[NH+](C)CC1 ZINC000185365978 473407261 /nfs/dbraw/zinc/40/72/61/473407261.db2.gz GTWDTKVGDYTZFI-VXGBXAGGSA-N 2 2 346.302 2.986 20 10 EFCDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000185871398 473535073 /nfs/dbraw/zinc/53/50/73/473535073.db2.gz ZCVKCHQQMIJOGF-LBPRGKRZSA-N 2 2 346.302 2.815 20 10 EFCDLP Cc1cc(N2CC[NH+](Cc3ccccc3O)CC2)nc(C(C)C)[nH+]1 ZINC000179554407 473693897 /nfs/dbraw/zinc/69/38/97/473693897.db2.gz BVWYMJFXYMNKJO-UHFFFAOYSA-N 2 2 326.444 2.936 20 10 EFCDLP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287731528 473745902 /nfs/dbraw/zinc/74/59/02/473745902.db2.gz PDKQSEOFXURHFV-BBRMVZONSA-N 2 2 325.884 2.722 20 10 EFCDLP CCN(CC)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1F ZINC000269357143 473784692 /nfs/dbraw/zinc/78/46/92/473784692.db2.gz NCAORUQXYCCHRJ-UHFFFAOYSA-N 2 2 337.483 2.560 20 10 EFCDLP CCN(CC)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1F ZINC000269357143 473784701 /nfs/dbraw/zinc/78/47/01/473784701.db2.gz NCAORUQXYCCHRJ-UHFFFAOYSA-N 2 2 337.483 2.560 20 10 EFCDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187143940 473824227 /nfs/dbraw/zinc/82/42/27/473824227.db2.gz MXCJTYYWRLCDKG-GFCCVEGCSA-N 2 2 345.281 2.692 20 10 EFCDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187143940 473824232 /nfs/dbraw/zinc/82/42/32/473824232.db2.gz MXCJTYYWRLCDKG-GFCCVEGCSA-N 2 2 345.281 2.692 20 10 EFCDLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000180230023 473833269 /nfs/dbraw/zinc/83/32/69/473833269.db2.gz GGCKISAZPWNTSE-LBPRGKRZSA-N 2 2 327.266 2.847 20 10 EFCDLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000180230023 473833272 /nfs/dbraw/zinc/83/32/72/473833272.db2.gz GGCKISAZPWNTSE-LBPRGKRZSA-N 2 2 327.266 2.847 20 10 EFCDLP CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(O)c1 ZINC000275502811 474212900 /nfs/dbraw/zinc/21/29/00/474212900.db2.gz JUGXRBWTDHYCAM-HNAYVOBHSA-N 2 2 345.443 2.924 20 10 EFCDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289402024 474255728 /nfs/dbraw/zinc/25/57/28/474255728.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 2 2 337.420 2.617 20 10 EFCDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289402024 474255733 /nfs/dbraw/zinc/25/57/33/474255733.db2.gz GPSOICWOJKDOLR-UHFFFAOYSA-N 2 2 337.420 2.617 20 10 EFCDLP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c(C)n3)cc2F)CC1 ZINC000266192741 474425157 /nfs/dbraw/zinc/42/51/57/474425157.db2.gz CCOCKFGJEISGNK-UHFFFAOYSA-N 2 2 329.423 2.678 20 10 EFCDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551524 474617380 /nfs/dbraw/zinc/61/73/80/474617380.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 2 2 325.250 2.681 20 10 EFCDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551524 474617385 /nfs/dbraw/zinc/61/73/85/474617385.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551524 474617389 /nfs/dbraw/zinc/61/73/89/474617389.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 2 2 325.250 2.681 20 10 EFCDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000272551524 474617394 /nfs/dbraw/zinc/61/73/94/474617394.db2.gz DAAGQNIRDMXMCT-SMDDNHRTSA-N 2 2 325.250 2.681 20 10 EFCDLP COc1c(O)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705660 /nfs/dbraw/zinc/70/56/60/474705660.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 2 2 337.420 2.663 20 10 EFCDLP COc1c(O)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563490 474705670 /nfs/dbraw/zinc/70/56/70/474705670.db2.gz BQLABCXFAPSHMU-ZDUSSCGKSA-N 2 2 337.420 2.663 20 10 EFCDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc2c(cc1O)OCO2 ZINC000284985130 474852748 /nfs/dbraw/zinc/85/27/48/474852748.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 2 2 332.400 2.668 20 10 EFCDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc2c(cc1O)OCO2 ZINC000284985130 474852755 /nfs/dbraw/zinc/85/27/55/474852755.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 2 2 332.400 2.668 20 10 EFCDLP C[NH+](CCC[N@H+](C)Cc1cc2c(cc1O)OCO2)Cc1ccco1 ZINC000284985130 474852758 /nfs/dbraw/zinc/85/27/58/474852758.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 2 2 332.400 2.668 20 10 EFCDLP C[NH+](CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2)Cc1ccco1 ZINC000284985130 474852764 /nfs/dbraw/zinc/85/27/64/474852764.db2.gz CATPDTDDFPBAQS-UHFFFAOYSA-N 2 2 332.400 2.668 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000268454828 474989013 /nfs/dbraw/zinc/98/90/13/474989013.db2.gz JIODOPCPSVBDPF-MRXNPFEDSA-N 2 2 335.467 2.831 20 10 EFCDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000268454828 474989020 /nfs/dbraw/zinc/98/90/20/474989020.db2.gz JIODOPCPSVBDPF-MRXNPFEDSA-N 2 2 335.467 2.831 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CSC[C@H]3C)CC2)cc1 ZINC000294777532 475082693 /nfs/dbraw/zinc/08/26/93/475082693.db2.gz NKZFCTJOCCPCPA-VQIMIIECSA-N 2 2 349.544 2.548 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CSC[C@H]3C)CC2)cc1 ZINC000294777520 475083566 /nfs/dbraw/zinc/08/35/66/475083566.db2.gz NKZFCTJOCCPCPA-APWZRJJASA-N 2 2 349.544 2.548 20 10 EFCDLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705983 476943981 /nfs/dbraw/zinc/94/39/81/476943981.db2.gz KRZKKTPBJVOFOT-RHSMWYFYSA-N 2 2 337.895 2.503 20 10 EFCDLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705983 476943993 /nfs/dbraw/zinc/94/39/93/476943993.db2.gz KRZKKTPBJVOFOT-RHSMWYFYSA-N 2 2 337.895 2.503 20 10 EFCDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1O ZINC000372560786 477803812 /nfs/dbraw/zinc/80/38/12/477803812.db2.gz BPWNXIUSHYPMCY-UHFFFAOYSA-N 2 2 327.428 2.550 20 10 EFCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000756400951 575731286 /nfs/dbraw/zinc/73/12/86/575731286.db2.gz GLZLGFWZWWHABI-ZDUSSCGKSA-N 2 2 343.427 2.605 20 10 EFCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1O ZINC000756764900 575785056 /nfs/dbraw/zinc/78/50/56/575785056.db2.gz LPVXDEVVJXZAKB-JECHBYEQSA-N 2 2 340.414 2.699 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587469 577169304 /nfs/dbraw/zinc/16/93/04/577169304.db2.gz ZOVLJKSRZXNWIU-YZVOILCLSA-N 2 2 347.478 2.796 20 10 EFCDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000766587469 577169305 /nfs/dbraw/zinc/16/93/05/577169305.db2.gz ZOVLJKSRZXNWIU-YZVOILCLSA-N 2 2 347.478 2.796 20 10 EFCDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405373 577360086 /nfs/dbraw/zinc/36/00/86/577360086.db2.gz UTWNUCZSQZMSBN-KRWDZBQOSA-N 2 2 346.475 2.969 20 10 EFCDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405373 577360087 /nfs/dbraw/zinc/36/00/87/577360087.db2.gz UTWNUCZSQZMSBN-KRWDZBQOSA-N 2 2 346.475 2.969 20 10 EFCDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000825279572 1278492940 /nfs/dbraw/zinc/49/29/40/1278492940.db2.gz SBWKUXQQGBKJCP-UHFFFAOYSA-N 2 2 343.874 2.690 20 10 EFCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817941553 1276387596 /nfs/dbraw/zinc/38/75/96/1276387596.db2.gz KNALQTXBPLNLEI-UGSOOPFHSA-N 2 2 329.444 2.817 20 10 EFCDLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCC[NH2+]1 ZINC000817975527 1276416140 /nfs/dbraw/zinc/41/61/40/1276416140.db2.gz WBQMGOLWKHILMZ-NHYWBVRUSA-N 2 2 332.366 2.830 20 10 EFCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC000793187535 1279433646 /nfs/dbraw/zinc/43/36/46/1279433646.db2.gz JPQYBPFSZHGYDF-OKILXGFUSA-N 2 2 327.394 2.765 20 10 EFCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC000793187535 1279433653 /nfs/dbraw/zinc/43/36/53/1279433653.db2.gz JPQYBPFSZHGYDF-OKILXGFUSA-N 2 2 327.394 2.765 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC000793187535 1279433659 /nfs/dbraw/zinc/43/36/59/1279433659.db2.gz JPQYBPFSZHGYDF-OKILXGFUSA-N 2 2 327.394 2.765 20 10 EFCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C(F)(F)F)c1 ZINC000793187535 1279433668 /nfs/dbraw/zinc/43/36/68/1279433668.db2.gz JPQYBPFSZHGYDF-OKILXGFUSA-N 2 2 327.394 2.765 20 10 EFCDLP C[NH+]1CCC(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715792897 1284332213 /nfs/dbraw/zinc/33/22/13/1284332213.db2.gz SABZELUWFREQIS-UHFFFAOYSA-N 2 2 331.229 2.725 20 10 EFCDLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC000817276242 1288520338 /nfs/dbraw/zinc/52/03/38/1288520338.db2.gz WHNJQWQVIDPPDF-UHFFFAOYSA-N 2 2 326.440 2.856 20 10 EFCDLP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Cn1cccn1 ZINC000873023123 1289525478 /nfs/dbraw/zinc/52/54/78/1289525478.db2.gz XWLYPFVVAKCCGA-UHFFFAOYSA-N 2 2 339.443 2.707 20 10 EFCDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093693298 1291196088 /nfs/dbraw/zinc/19/60/88/1291196088.db2.gz YUMNQTYFDCHGSK-SFHVURJKSA-N 2 2 349.494 2.826 20 10 EFCDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093693298 1291196095 /nfs/dbraw/zinc/19/60/95/1291196095.db2.gz YUMNQTYFDCHGSK-SFHVURJKSA-N 2 2 349.494 2.826 20 10 EFCDLP CCOC(=O)c1c(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001233270661 1312889941 /nfs/dbraw/zinc/88/99/41/1312889941.db2.gz VPZHFMMHGLSUEY-UHFFFAOYSA-N 2 2 343.471 2.881 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001233270661 1312889945 /nfs/dbraw/zinc/88/99/45/1312889945.db2.gz VPZHFMMHGLSUEY-UHFFFAOYSA-N 2 2 343.471 2.881 20 10 EFCDLP COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001203622199 1312973003 /nfs/dbraw/zinc/97/30/03/1312973003.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001203622199 1312973004 /nfs/dbraw/zinc/97/30/04/1312973004.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(O)c1 ZINC001203622199 1312973009 /nfs/dbraw/zinc/97/30/09/1312973009.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(O)c1 ZINC001203622199 1312973012 /nfs/dbraw/zinc/97/30/12/1312973012.db2.gz TXTATPOMGYEJHY-FQEVSTJZSA-N 2 2 348.487 2.724 20 10 EFCDLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(Br)ccc3O)C[C@@H]2C1 ZINC001203648733 1312980780 /nfs/dbraw/zinc/98/07/80/1312980780.db2.gz RLSRBXSSDUAVGQ-STQMWFEESA-N 2 2 325.250 2.538 20 10 EFCDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000883049065 1293442525 /nfs/dbraw/zinc/44/25/25/1293442525.db2.gz CIINWIHBVDUHCI-DLBZAZTESA-N 2 2 340.414 2.528 20 10 EFCDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(F)cc(F)c3O)[nH+]c2)C1 ZINC000883073520 1293450441 /nfs/dbraw/zinc/45/04/41/1293450441.db2.gz SHZQIGYSFLPHIN-HNNXBMFYSA-N 2 2 348.397 2.818 20 10 EFCDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001203878463 1313040195 /nfs/dbraw/zinc/04/01/95/1313040195.db2.gz UTIOASLMUGGZCZ-OALUTQOASA-N 2 2 338.451 2.970 20 10 EFCDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235034509 1313229037 /nfs/dbraw/zinc/22/90/37/1313229037.db2.gz ZNLYJTOWOBCJGV-HXUWFJFHSA-N 2 2 341.455 2.540 20 10 EFCDLP CCOC(=O)c1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235034509 1313229039 /nfs/dbraw/zinc/22/90/39/1313229039.db2.gz ZNLYJTOWOBCJGV-HXUWFJFHSA-N 2 2 341.455 2.540 20 10 EFCDLP C[NH+]1CCC2(C[NH+](Cc3cc(Br)cc(F)c3O)C2)CC1 ZINC001235067080 1313235169 /nfs/dbraw/zinc/23/51/69/1313235169.db2.gz PVQOKIXOOMGXRS-UHFFFAOYSA-N 2 2 343.240 2.821 20 10 EFCDLP Oc1c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235116208 1313245369 /nfs/dbraw/zinc/24/53/69/1313245369.db2.gz LTFDOZGZFBIVPA-OAQYLSRUSA-N 2 2 341.499 2.809 20 10 EFCDLP Oc1c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001235116208 1313245372 /nfs/dbraw/zinc/24/53/72/1313245372.db2.gz LTFDOZGZFBIVPA-OAQYLSRUSA-N 2 2 341.499 2.809 20 10 EFCDLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001235154201 1313253471 /nfs/dbraw/zinc/25/34/71/1313253471.db2.gz VGLCWMIRKDBKMW-ZBEGNZNMSA-N 2 2 333.229 2.841 20 10 EFCDLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001235154201 1313253474 /nfs/dbraw/zinc/25/34/74/1313253474.db2.gz VGLCWMIRKDBKMW-ZBEGNZNMSA-N 2 2 333.229 2.841 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401071 1313312761 /nfs/dbraw/zinc/31/27/61/1313312761.db2.gz GIANMBDTSKOFGX-GJZGRUSLSA-N 2 2 332.341 2.935 20 10 EFCDLP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235401071 1313312765 /nfs/dbraw/zinc/31/27/65/1313312765.db2.gz GIANMBDTSKOFGX-GJZGRUSLSA-N 2 2 332.341 2.935 20 10 EFCDLP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776245276 1297250079 /nfs/dbraw/zinc/25/00/79/1297250079.db2.gz LUOXALMDHRXADY-UHFFFAOYSA-N 2 2 330.831 2.510 20 10 EFCDLP COCCC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235810514 1313402885 /nfs/dbraw/zinc/40/28/85/1313402885.db2.gz PMCUSZKFWULHHP-MRXNPFEDSA-N 2 2 326.868 2.945 20 10 EFCDLP COCCC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235810514 1313402888 /nfs/dbraw/zinc/40/28/88/1313402888.db2.gz PMCUSZKFWULHHP-MRXNPFEDSA-N 2 2 326.868 2.945 20 10 EFCDLP CC[N@H+](Cc1cc(Br)c(OC)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010462 1313431289 /nfs/dbraw/zinc/43/12/89/1313431289.db2.gz SKEXGEQIRURQGM-LBPRGKRZSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[N@@H+](Cc1cc(Br)c(OC)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236010462 1313431291 /nfs/dbraw/zinc/43/12/91/1313431291.db2.gz SKEXGEQIRURQGM-LBPRGKRZSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(O)c(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207594 1313455739 /nfs/dbraw/zinc/45/57/39/1313455739.db2.gz RDELFONZQCRJHY-HNNXBMFYSA-N 2 2 343.265 2.737 20 10 EFCDLP COc1cc(O)c(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1Br ZINC001236207594 1313455740 /nfs/dbraw/zinc/45/57/40/1313455740.db2.gz RDELFONZQCRJHY-HNNXBMFYSA-N 2 2 343.265 2.737 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238508 1313459507 /nfs/dbraw/zinc/45/95/07/1313459507.db2.gz FUNJBKBYPPBWGI-NRFANRHFSA-N 3 2 342.531 2.545 20 10 EFCDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238508 1313459508 /nfs/dbraw/zinc/45/95/08/1313459508.db2.gz FUNJBKBYPPBWGI-NRFANRHFSA-N 3 2 342.531 2.545 20 10 EFCDLP CCC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC001236323328 1313469127 /nfs/dbraw/zinc/46/91/27/1313469127.db2.gz DVBKXLAQVXJUJV-INIZCTEOSA-N 2 2 337.895 2.751 20 10 EFCDLP CCC[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC001236323328 1313469130 /nfs/dbraw/zinc/46/91/30/1313469130.db2.gz DVBKXLAQVXJUJV-INIZCTEOSA-N 2 2 337.895 2.751 20 10 EFCDLP CCC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC001236323329 1313469887 /nfs/dbraw/zinc/46/98/87/1313469887.db2.gz DVBKXLAQVXJUJV-MRXNPFEDSA-N 2 2 337.895 2.751 20 10 EFCDLP CCC[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC001236323329 1313469890 /nfs/dbraw/zinc/46/98/90/1313469890.db2.gz DVBKXLAQVXJUJV-MRXNPFEDSA-N 2 2 337.895 2.751 20 10 EFCDLP COc1cc(O)c(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(OC)c1 ZINC001236653115 1313503605 /nfs/dbraw/zinc/50/36/05/1313503605.db2.gz OGFIDOHPUDCBNW-OAHLLOKOSA-N 2 2 334.460 2.906 20 10 EFCDLP COc1cc(O)c(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(OC)c1 ZINC001236653115 1313503607 /nfs/dbraw/zinc/50/36/07/1313503607.db2.gz OGFIDOHPUDCBNW-OAHLLOKOSA-N 2 2 334.460 2.906 20 10 EFCDLP COCCC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236949804 1313559666 /nfs/dbraw/zinc/55/96/66/1313559666.db2.gz XLTIGYJXBYUFLP-HXUWFJFHSA-N 2 2 343.515 2.586 20 10 EFCDLP COCCC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236949804 1313559669 /nfs/dbraw/zinc/55/96/69/1313559669.db2.gz XLTIGYJXBYUFLP-HXUWFJFHSA-N 2 2 343.515 2.586 20 10 EFCDLP c1ccc2oc(-c3ccc(N4CC[NH+](CC5C[NH2+]C5)CC4)cc3)nc2c1 ZINC001237257359 1313613445 /nfs/dbraw/zinc/61/34/45/1313613445.db2.gz FUVQCPUNXZAKOB-UHFFFAOYSA-N 2 2 348.450 2.836 20 10 EFCDLP c1ccc(COc2ccc(N3CC[NH+](CC4C[NH2+]C4)CC3)cc2)cc1 ZINC001237249722 1313612874 /nfs/dbraw/zinc/61/28/74/1313612874.db2.gz RNTRWGHRXNPIAO-UHFFFAOYSA-N 2 2 337.467 2.607 20 10 EFCDLP Oc1cccc(Br)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394863 1313635962 /nfs/dbraw/zinc/63/59/62/1313635962.db2.gz WPKLPUMZYRUORA-BXUZGUMPSA-N 2 2 325.250 2.729 20 10 EFCDLP Oc1cccc(Br)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237394863 1313635965 /nfs/dbraw/zinc/63/59/65/1313635965.db2.gz WPKLPUMZYRUORA-BXUZGUMPSA-N 2 2 325.250 2.729 20 10 EFCDLP Clc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001237410723 1313640033 /nfs/dbraw/zinc/64/00/33/1313640033.db2.gz CYBKXYWAZKCOEU-FUHWJXTLSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1N1CCOCC1 ZINC001237410723 1313640036 /nfs/dbraw/zinc/64/00/36/1313640036.db2.gz CYBKXYWAZKCOEU-FUHWJXTLSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413117 1313640958 /nfs/dbraw/zinc/64/09/58/1313640958.db2.gz JHMKHJXBZUFYGZ-VQIMIIECSA-N 2 2 349.906 2.751 20 10 EFCDLP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413117 1313640961 /nfs/dbraw/zinc/64/09/61/1313640961.db2.gz JHMKHJXBZUFYGZ-VQIMIIECSA-N 2 2 349.906 2.751 20 10 EFCDLP COC(=O)c1c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237418128 1313641375 /nfs/dbraw/zinc/64/13/75/1313641375.db2.gz VXJLRTFBAWQORS-RHSMWYFYSA-N 2 2 341.455 2.539 20 10 EFCDLP COC(=O)c1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237418128 1313641379 /nfs/dbraw/zinc/64/13/79/1313641379.db2.gz VXJLRTFBAWQORS-RHSMWYFYSA-N 2 2 341.455 2.539 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416066 1313641505 /nfs/dbraw/zinc/64/15/05/1313641505.db2.gz RKIUFWRLHKNMFV-DGCLKSJQSA-N 2 2 330.350 2.865 20 10 EFCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237416066 1313641508 /nfs/dbraw/zinc/64/15/08/1313641508.db2.gz RKIUFWRLHKNMFV-DGCLKSJQSA-N 2 2 330.350 2.865 20 10 EFCDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Cl)c(Cl)cc1O ZINC000854232095 1300480909 /nfs/dbraw/zinc/48/09/09/1300480909.db2.gz LLHJKBCRDZYEAY-ZETCQYMHSA-N 2 2 343.214 2.504 20 10 EFCDLP Oc1c(F)cccc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001276537813 1313704293 /nfs/dbraw/zinc/70/42/93/1313704293.db2.gz NHPFYTNMBIXSBN-UHFFFAOYSA-N 2 2 329.419 2.957 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2CCO[C@H](C[NH3+])C2)c(O)c1 ZINC001210398253 1314326405 /nfs/dbraw/zinc/32/64/05/1314326405.db2.gz CNFQWIMBCYQFMS-LJQANCHMSA-N 2 2 349.519 2.958 20 10 EFCDLP CCCCN(CCCC)c1ccc(C[N@H+]2CCO[C@H](C[NH3+])C2)c(O)c1 ZINC001210398253 1314326409 /nfs/dbraw/zinc/32/64/09/1314326409.db2.gz CNFQWIMBCYQFMS-LJQANCHMSA-N 2 2 349.519 2.958 20 10 EFCDLP C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000902518960 1311828128 /nfs/dbraw/zinc/82/81/28/1311828128.db2.gz VGLLOFVQTSTLNN-AUUYWEPGSA-N 2 2 327.476 2.514 20 10 EFCDLP C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1c[nH+]ccc1N ZINC000902518966 1311828184 /nfs/dbraw/zinc/82/81/84/1311828184.db2.gz VGLLOFVQTSTLNN-KUHUBIRLSA-N 2 2 327.476 2.514 20 10 EFCDLP C[N@@H+]1CCc2ncnc(N(CC[NH3+])c3cccc4ccccc43)c2C1 ZINC001162005370 1312027198 /nfs/dbraw/zinc/02/71/98/1312027198.db2.gz HYRRCLOILHXQTG-UHFFFAOYSA-N 2 2 333.439 2.715 20 10 EFCDLP C[N@H+]1CCc2ncnc(N(CC[NH3+])c3cccc4ccccc43)c2C1 ZINC001162005370 1312027202 /nfs/dbraw/zinc/02/72/02/1312027202.db2.gz HYRRCLOILHXQTG-UHFFFAOYSA-N 2 2 333.439 2.715 20 10 EFCDLP [NH3+][C@H](Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1)c1ccccc1O ZINC001249339616 1315056511 /nfs/dbraw/zinc/05/65/11/1315056511.db2.gz NWKIOZTWUFPQCY-OAHLLOKOSA-N 2 2 347.378 2.870 20 10 EFCDLP C[N@@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001254746614 1315743233 /nfs/dbraw/zinc/74/32/33/1315743233.db2.gz VEQNAIOWVPMWMF-UHFFFAOYSA-N 2 2 328.435 2.605 20 10 EFCDLP O=C1C[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)C[C@H]2C1 ZINC001254933905 1315760659 /nfs/dbraw/zinc/76/06/59/1315760659.db2.gz HCZNBKBPLVTKBM-VQFNDLOPSA-N 2 2 328.456 2.704 20 10 EFCDLP CCOc1ccc(N2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256081506 1315903365 /nfs/dbraw/zinc/90/33/65/1315903365.db2.gz HQIPYVBXLYZEDO-UHFFFAOYSA-N 2 2 329.488 2.834 20 10 EFCDLP C[NH+]1CCC([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001256214286 1315919428 /nfs/dbraw/zinc/91/94/28/1315919428.db2.gz HFHLYSOJZFFNAF-UHFFFAOYSA-N 2 2 343.393 2.801 20 10 EFCDLP Oc1cc2ccccc2cc1C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279667125 1317353172 /nfs/dbraw/zinc/35/31/72/1317353172.db2.gz PMMAZGCPYGRKDG-UHFFFAOYSA-N 2 2 348.450 2.560 20 10 EFCDLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001279968942 1317426329 /nfs/dbraw/zinc/42/63/29/1317426329.db2.gz RJNZNSQBHZHESI-FOIQADDNSA-N 2 2 348.406 2.501 20 10 EFCDLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001279968942 1317426332 /nfs/dbraw/zinc/42/63/32/1317426332.db2.gz RJNZNSQBHZHESI-FOIQADDNSA-N 2 2 348.406 2.501 20 10 EFCDLP COc1ccc(C)[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319872946 1329024272 /nfs/dbraw/zinc/02/42/72/1329024272.db2.gz BWOFHIOFZWZFCB-UHFFFAOYSA-N 2 2 344.434 2.902 20 10 EFCDLP C[N@H+](CCC(F)(F)F)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319947340 1329041740 /nfs/dbraw/zinc/04/17/40/1329041740.db2.gz JNWITXSUNKCIAD-UHFFFAOYSA-N 2 2 333.373 2.962 20 10 EFCDLP C[N@@H+](CCC(F)(F)F)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319947340 1329041747 /nfs/dbraw/zinc/04/17/47/1329041747.db2.gz JNWITXSUNKCIAD-UHFFFAOYSA-N 2 2 333.373 2.962 20 10 EFCDLP CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC001323888603 1329583013 /nfs/dbraw/zinc/58/30/13/1329583013.db2.gz BVLOSXSMNRYSAR-OAHLLOKOSA-N 2 2 329.444 2.979 20 10 EFCDLP CCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC001323888603 1329583016 /nfs/dbraw/zinc/58/30/16/1329583016.db2.gz BVLOSXSMNRYSAR-OAHLLOKOSA-N 2 2 329.444 2.979 20 10 EFCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC001339602691 1331910331 /nfs/dbraw/zinc/91/03/31/1331910331.db2.gz AFLCCZRAUMEWHS-YWZLYKJASA-N 2 2 347.478 2.577 20 10 EFCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC001339602691 1331910333 /nfs/dbraw/zinc/91/03/33/1331910333.db2.gz AFLCCZRAUMEWHS-YWZLYKJASA-N 2 2 347.478 2.577 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848574406 1334801708 /nfs/dbraw/zinc/80/17/08/1334801708.db2.gz DWBLVLWRPGRPRP-UXHICEINSA-N 2 2 329.488 2.630 20 10 EFCDLP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848574406 1334801711 /nfs/dbraw/zinc/80/17/11/1334801711.db2.gz DWBLVLWRPGRPRP-UXHICEINSA-N 2 2 329.488 2.630 20 10 EFCDLP COc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000849350282 1335596412 /nfs/dbraw/zinc/59/64/12/1335596412.db2.gz WRTUEGYLTVCPCM-QZTJIDSGSA-N 2 2 330.403 2.775 20 10 EFCDLP CC[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000806127443 713448787 /nfs/dbraw/zinc/44/87/87/713448787.db2.gz FALSQAXXLXIOAX-YLJYHZDGSA-N 2 2 331.504 2.986 20 10 EFCDLP CC[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000806127431 713448861 /nfs/dbraw/zinc/44/88/61/713448861.db2.gz FALSQAXXLXIOAX-FXAWDEMLSA-N 2 2 331.504 2.986 20 10 EFCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC000237273733 723570609 /nfs/dbraw/zinc/57/06/09/723570609.db2.gz FTCQWIXJJKNEEO-FXAWDEMLSA-N 2 2 331.504 2.986 20 10 EFCDLP