smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001648054659 1089936401 /nfs/dbraw/zinc/93/64/01/1089936401.db2.gz ZBFABKDPMYRJDY-LBPRGKRZSA-N 0 3 329.356 2.898 10 10 EFCEHN Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c([O-])c1O ZINC001587534535 1092818740 /nfs/dbraw/zinc/81/87/40/1092818740.db2.gz QGHPCOMSSWIZPZ-HNNXBMFYSA-N 0 3 332.444 2.933 10 10 EFCEHN Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c([O-])c1O ZINC001587534535 1092818750 /nfs/dbraw/zinc/81/87/50/1092818750.db2.gz QGHPCOMSSWIZPZ-HNNXBMFYSA-N 0 3 332.444 2.933 10 10 EFCEHN COCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000782959930 1094581000 /nfs/dbraw/zinc/58/10/00/1094581000.db2.gz DKATZEQRUFCFQD-HNNXBMFYSA-N 0 3 331.412 2.791 10 10 EFCEHN COCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000782959930 1094581009 /nfs/dbraw/zinc/58/10/09/1094581009.db2.gz DKATZEQRUFCFQD-HNNXBMFYSA-N 0 3 331.412 2.791 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NCC2CN(CCCCCF)C2)cc1 ZINC001267701302 1095521256 /nfs/dbraw/zinc/52/12/56/1095521256.db2.gz PADAFMUDLPARAA-UHFFFAOYSA-N 0 3 349.410 2.650 10 10 EFCEHN Cc1ccc(O)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001603554518 1096551520 /nfs/dbraw/zinc/55/15/20/1096551520.db2.gz FZJRBZGSNPDFLR-GOSISDBHSA-N 0 3 341.455 2.799 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccsn2)cc1C ZINC001268554939 1097183094 /nfs/dbraw/zinc/18/30/94/1097183094.db2.gz LGORABUFUGJZRS-ONEGZZNKSA-N 0 3 331.441 2.536 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H](C)CSC)CC2)cc1C ZINC001269388527 1098104896 /nfs/dbraw/zinc/10/48/96/1098104896.db2.gz PWYCKHCJFXYKSG-CQSZACIVSA-N 0 3 336.501 2.741 10 10 EFCEHN Cc1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c(O)c1O ZINC001628279102 1100084158 /nfs/dbraw/zinc/08/41/58/1100084158.db2.gz YOAFMCAJZHGZCJ-HXUWFJFHSA-N 0 3 340.423 2.801 10 10 EFCEHN COc1ccc(N2CCN(C(=O)C(C)(C)N3CCCCC3)CC2)cc1 ZINC001630081586 1100273847 /nfs/dbraw/zinc/27/38/47/1100273847.db2.gz MFGIMBTUHYGSSL-UHFFFAOYSA-N 0 3 345.487 2.608 10 10 EFCEHN CC[C@@H](C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635635687 1100671456 /nfs/dbraw/zinc/67/14/56/1100671456.db2.gz RKBVPTKTBPEXEV-PBHICJAKSA-N 0 3 336.480 2.632 10 10 EFCEHN Cc1cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802184 1101243997 /nfs/dbraw/zinc/24/39/97/1101243997.db2.gz CBXFLDOAAIHLRC-OALUTQOASA-N 0 3 345.531 2.872 10 10 EFCEHN COc1cc([N+](=O)[O-])c(N2CCN[C@@H](c3ccccc3)C2)cc1OC ZINC001643213862 1101280146 /nfs/dbraw/zinc/28/01/46/1101280146.db2.gz OMXHWBLBCULEAE-CQSZACIVSA-N 0 3 343.383 2.763 10 10 EFCEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001655349608 1101812254 /nfs/dbraw/zinc/81/22/54/1101812254.db2.gz MWCZSPLUTJJJOV-LBPRGKRZSA-N 0 3 329.356 2.898 10 10 EFCEHN COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001655349808 1101813555 /nfs/dbraw/zinc/81/35/55/1101813555.db2.gz UCRKCVYHXXZYDF-NSHDSACASA-N 0 3 345.355 2.598 10 10 EFCEHN c1cc(CNCc2ccc3c(c2)CCO3)cc(CN2CCOCC2)c1 ZINC000077329472 1103202477 /nfs/dbraw/zinc/20/24/77/1103202477.db2.gz DQRLRFFSTVPHKP-UHFFFAOYSA-N 0 3 338.451 2.744 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732953 1103567691 /nfs/dbraw/zinc/56/76/91/1103567691.db2.gz CUXGOMPBVXWTHL-MLGOLLRUSA-N 0 3 346.452 2.729 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732953 1103567696 /nfs/dbraw/zinc/56/76/96/1103567696.db2.gz CUXGOMPBVXWTHL-MLGOLLRUSA-N 0 3 346.452 2.729 10 10 EFCEHN CC[C@@](O)(CN1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905914800 1103728216 /nfs/dbraw/zinc/72/82/16/1103728216.db2.gz KMEPXAPJNSYEJJ-MRXNPFEDSA-N 0 3 346.393 2.911 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H](OC)C3CCC3)CC2)cc1C ZINC001670829167 1104481291 /nfs/dbraw/zinc/48/12/91/1104481291.db2.gz FOYVWPSLXXPHKB-GOSISDBHSA-N 0 3 346.471 2.557 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001668877921 1105391545 /nfs/dbraw/zinc/39/15/45/1105391545.db2.gz SBHGHFLXZZILCZ-ABCZVMIZSA-N 0 3 338.398 2.811 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)C2(C)CCOCC2)cc1C ZINC001669091687 1105433072 /nfs/dbraw/zinc/43/30/72/1105433072.db2.gz PQURFPJZTBFJJC-SNAWJCMRSA-N 0 3 346.471 2.582 10 10 EFCEHN CC[C@@H]1CC[C@H](C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)O1 ZINC001483015178 1105556401 /nfs/dbraw/zinc/55/64/01/1105556401.db2.gz FYMRXZAKUNOOLL-ZMGAVLDPSA-N 0 3 346.471 2.723 10 10 EFCEHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897939944 1106161105 /nfs/dbraw/zinc/16/11/05/1106161105.db2.gz VUHCCOOSVFQBNM-GFCCVEGCSA-N 0 3 334.441 2.867 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000925320947 1106383050 /nfs/dbraw/zinc/38/30/50/1106383050.db2.gz NJTMKDSYFBVJBE-MAUKXSAKSA-N 0 3 332.492 2.767 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cncs3)CC2)cc1C ZINC001483718967 1108266236 /nfs/dbraw/zinc/26/62/36/1108266236.db2.gz LQXBZVDGYVNFEN-UHFFFAOYSA-N 0 3 331.441 2.512 10 10 EFCEHN CCO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000926957416 1108267249 /nfs/dbraw/zinc/26/72/49/1108267249.db2.gz BHSAHTGCRIDXNY-YPMHNXCESA-N 0 3 345.281 2.772 10 10 EFCEHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898582906 1109022070 /nfs/dbraw/zinc/02/20/70/1109022070.db2.gz RLMBWOLODJNPFQ-LLVKDONJSA-N 0 3 334.441 2.915 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)Cc3occc3C)CC2)cc1C ZINC001483767109 1112205619 /nfs/dbraw/zinc/20/56/19/1112205619.db2.gz ZPFKYUCJCOFCJS-UHFFFAOYSA-N 0 3 342.439 2.886 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3nccs3)CC2)cc1C ZINC001483776907 1112424878 /nfs/dbraw/zinc/42/48/78/1112424878.db2.gz INUVDUVKFKQVIP-UHFFFAOYSA-N 0 3 331.441 2.512 10 10 EFCEHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000191807034 240008705 /nfs/dbraw/zinc/00/87/05/240008705.db2.gz DCUINHIIXIRFFC-INIZCTEOSA-N 0 3 332.350 2.561 10 10 EFCEHN Cc1cccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191806967 240009086 /nfs/dbraw/zinc/00/90/86/240009086.db2.gz UNCNTSNVKMIEIN-QGZVFWFLSA-N 0 3 328.387 2.730 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192711724 240059904 /nfs/dbraw/zinc/05/99/04/240059904.db2.gz QDEDUYCXZMCAFT-CYBMUJFWSA-N 0 3 328.416 2.510 10 10 EFCEHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000362334231 242250039 /nfs/dbraw/zinc/25/00/39/242250039.db2.gz GLCYODBOEKYWLE-FQEVSTJZSA-N 0 3 340.471 2.902 10 10 EFCEHN Fc1cc(CN[C@H]2CCCc3n[nH]cc32)ccc1N1CCOCC1 ZINC000367596553 242386427 /nfs/dbraw/zinc/38/64/27/242386427.db2.gz PXAIBMUQLHUWBD-INIZCTEOSA-N 0 3 330.407 2.553 10 10 EFCEHN OCC1CCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375792442 242482345 /nfs/dbraw/zinc/48/23/45/242482345.db2.gz QEBKXSHBNDXUGR-LJQANCHMSA-N 0 3 340.471 2.786 10 10 EFCEHN Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459643 203004492 /nfs/dbraw/zinc/00/44/92/203004492.db2.gz IIONPCPZRZFWPS-HZPDHXFCSA-N 0 3 346.450 2.907 10 10 EFCEHN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](N(C)C)C3)c2C)cc1 ZINC000170857313 533210147 /nfs/dbraw/zinc/21/01/47/533210147.db2.gz UKOOCVNZEDQNNU-KRWDZBQOSA-N 0 3 341.455 2.879 10 10 EFCEHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccsc3)cc2)C1 ZINC000054179228 132190242 /nfs/dbraw/zinc/19/02/42/132190242.db2.gz QKMXFBMEDIBLNI-INIZCTEOSA-N 0 3 329.469 2.740 10 10 EFCEHN Fc1cc(CNCc2ccc3c(c2)CCO3)ccc1N1CCOCC1 ZINC000054175924 132190364 /nfs/dbraw/zinc/19/03/64/132190364.db2.gz TUMQAMHUHZHFMY-UHFFFAOYSA-N 0 3 342.414 2.887 10 10 EFCEHN CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190489873 473294724 /nfs/dbraw/zinc/29/47/24/473294724.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 0 3 329.419 2.880 10 10 EFCEHN CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190489873 473294728 /nfs/dbraw/zinc/29/47/28/473294728.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 0 3 329.419 2.880 10 10 EFCEHN c1cc(N2CCOCC2)ccc1CNCc1ccc2c(c1)OCCO2 ZINC000071831316 472577507 /nfs/dbraw/zinc/57/75/07/472577507.db2.gz CSHZUIYLOKZKIY-UHFFFAOYSA-N 0 3 340.423 2.584 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198367 472647542 /nfs/dbraw/zinc/64/75/42/472647542.db2.gz APIHDQNROAKPDW-KRWDZBQOSA-N 0 3 326.444 2.900 10 10 EFCEHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198367 472647549 /nfs/dbraw/zinc/64/75/49/472647549.db2.gz APIHDQNROAKPDW-KRWDZBQOSA-N 0 3 326.444 2.900 10 10 EFCEHN O=C(NCCc1ccc(O)c(O)c1)c1cccc(CN2CCCC2)c1 ZINC000156694266 472740648 /nfs/dbraw/zinc/74/06/48/472740648.db2.gz PMJBPGVSRKFTFB-UHFFFAOYSA-N 0 3 340.423 2.666 10 10 EFCEHN Cc1ccc(O)c(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000121489767 472859849 /nfs/dbraw/zinc/85/98/49/472859849.db2.gz QEQICUWKQJNUIW-UHFFFAOYSA-N 0 3 342.487 2.970 10 10 EFCEHN CCn1cc(CN2CCC[N@H+](Cc3cc(C)ccc3[O-])CC2)cn1 ZINC000121643526 472884755 /nfs/dbraw/zinc/88/47/55/472884755.db2.gz YZBGJKDJQQQARX-UHFFFAOYSA-N 0 3 328.460 2.625 10 10 EFCEHN CCn1cc(CN2CCC[N@@H+](Cc3cc(C)ccc3[O-])CC2)cn1 ZINC000121643526 472884762 /nfs/dbraw/zinc/88/47/62/472884762.db2.gz YZBGJKDJQQQARX-UHFFFAOYSA-N 0 3 328.460 2.625 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013413 472963335 /nfs/dbraw/zinc/96/33/35/472963335.db2.gz ORAWVPNVRZCLCC-INIZCTEOSA-N 0 3 344.459 2.911 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013413 472963342 /nfs/dbraw/zinc/96/33/42/472963342.db2.gz ORAWVPNVRZCLCC-INIZCTEOSA-N 0 3 344.459 2.911 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013654 472963889 /nfs/dbraw/zinc/96/38/89/472963889.db2.gz ORAWVPNVRZCLCC-MRXNPFEDSA-N 0 3 344.459 2.911 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013654 472963896 /nfs/dbraw/zinc/96/38/96/472963896.db2.gz ORAWVPNVRZCLCC-MRXNPFEDSA-N 0 3 344.459 2.911 10 10 EFCEHN CCOc1ccc(O)c(CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272202 473071246 /nfs/dbraw/zinc/07/12/46/473071246.db2.gz LZQCRQXSJQPSAG-UHFFFAOYSA-N 0 3 342.443 2.602 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272202 473071251 /nfs/dbraw/zinc/07/12/51/473071251.db2.gz LZQCRQXSJQPSAG-UHFFFAOYSA-N 0 3 342.443 2.602 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272202 473071256 /nfs/dbraw/zinc/07/12/56/473071256.db2.gz LZQCRQXSJQPSAG-UHFFFAOYSA-N 0 3 342.443 2.602 10 10 EFCEHN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000185408451 473419013 /nfs/dbraw/zinc/41/90/13/473419013.db2.gz QXFSYBLWEMPGJJ-DYVFJYSZSA-N 0 3 330.403 2.881 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(C)ccc2[O-])ncn1 ZINC000185992290 473566811 /nfs/dbraw/zinc/56/68/11/473566811.db2.gz ZBWBFHOEZMRWRY-HUUCEWRRSA-N 0 3 341.459 2.852 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ncn1 ZINC000185992711 473567071 /nfs/dbraw/zinc/56/70/71/473567071.db2.gz NRVDRJVGNNBAOU-GJZGRUSLSA-N 0 3 341.459 2.852 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996758 473568468 /nfs/dbraw/zinc/56/84/68/473568468.db2.gz QVEDYMTXGZTKNG-CHWSQXEVSA-N 0 3 330.432 2.781 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(C)ccc3[O-])C2=O)n(C)n1 ZINC000186327577 473649677 /nfs/dbraw/zinc/64/96/77/473649677.db2.gz CBQOOJRWOVKXKF-ZBFHGGJFSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@H](N[C@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327577 473649683 /nfs/dbraw/zinc/64/96/83/473649683.db2.gz CBQOOJRWOVKXKF-ZBFHGGJFSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3[O-])C2=O)n(C)n1 ZINC000186327592 473649932 /nfs/dbraw/zinc/64/99/32/473649932.db2.gz CBQOOJRWOVKXKF-HOCLYGCPSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327592 473649934 /nfs/dbraw/zinc/64/99/34/473649934.db2.gz CBQOOJRWOVKXKF-HOCLYGCPSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186328043 473650039 /nfs/dbraw/zinc/65/00/39/473650039.db2.gz PLIOZKMVQKYTKQ-HOCLYGCPSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3[O-])C2=O)n(C)n1 ZINC000186327548 473650275 /nfs/dbraw/zinc/65/02/75/473650275.db2.gz CBQOOJRWOVKXKF-GDBMZVCRSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327548 473650280 /nfs/dbraw/zinc/65/02/80/473650280.db2.gz CBQOOJRWOVKXKF-GDBMZVCRSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179559187 473694566 /nfs/dbraw/zinc/69/45/66/473694566.db2.gz VKAFNBFLMRDKHS-MRXNPFEDSA-N 0 3 325.412 2.946 10 10 EFCEHN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179559187 473694568 /nfs/dbraw/zinc/69/45/68/473694568.db2.gz VKAFNBFLMRDKHS-MRXNPFEDSA-N 0 3 325.412 2.946 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180032087 473782072 /nfs/dbraw/zinc/78/20/72/473782072.db2.gz RJOKTWUWQDSPOP-HNNXBMFYSA-N 0 3 338.879 2.898 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180032087 473782078 /nfs/dbraw/zinc/78/20/78/473782078.db2.gz RJOKTWUWQDSPOP-HNNXBMFYSA-N 0 3 338.879 2.898 10 10 EFCEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493434 473891202 /nfs/dbraw/zinc/89/12/02/473891202.db2.gz CIGZJKBXTFCUFH-DOTOQJQBSA-N 0 3 335.467 2.797 10 10 EFCEHN Cc1ccc([C@H](C)NCc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000274727899 473935408 /nfs/dbraw/zinc/93/54/08/473935408.db2.gz BBLLAJDEZFQVMM-HNNXBMFYSA-N 0 3 327.428 2.783 10 10 EFCEHN CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1[O-] ZINC000274756682 473945377 /nfs/dbraw/zinc/94/53/77/473945377.db2.gz IZJZVNMQPSUYQG-KRWDZBQOSA-N 0 3 327.428 2.865 10 10 EFCEHN Cc1cc(Cl)cc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000274905079 474007999 /nfs/dbraw/zinc/00/79/99/474007999.db2.gz IBWILFOAJXUNTA-UHFFFAOYSA-N 0 3 347.846 2.875 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1OC ZINC000190283884 474573528 /nfs/dbraw/zinc/57/35/28/474573528.db2.gz CVIIKQTWCIGICP-GJZGRUSLSA-N 0 3 349.452 2.679 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1OC ZINC000190283884 474573533 /nfs/dbraw/zinc/57/35/33/474573533.db2.gz CVIIKQTWCIGICP-GJZGRUSLSA-N 0 3 349.452 2.679 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000277361944 474583533 /nfs/dbraw/zinc/58/35/33/474583533.db2.gz FGSDFLUBTWKJND-AWEZNQCLSA-N 0 3 326.868 2.945 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000271858950 474597271 /nfs/dbraw/zinc/59/72/71/474597271.db2.gz VMCVSBGRZDPGEQ-IRXDYDNUSA-N 0 3 335.831 2.928 10 10 EFCEHN CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293581143 475042066 /nfs/dbraw/zinc/04/20/66/475042066.db2.gz JRZUDUYWYSKLOF-CYBMUJFWSA-N 0 3 343.874 2.548 10 10 EFCEHN CCOc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000373975129 476445574 /nfs/dbraw/zinc/44/55/74/476445574.db2.gz GLXXOIZHTZHXDU-ZRGWGRIASA-N 0 3 335.444 2.949 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369682364 476475083 /nfs/dbraw/zinc/47/50/83/476475083.db2.gz DWYOFTAUOMRODJ-UHFFFAOYSA-N 0 3 346.387 2.733 10 10 EFCEHN CCOc1ccc([O-])c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369682364 476475088 /nfs/dbraw/zinc/47/50/88/476475088.db2.gz DWYOFTAUOMRODJ-UHFFFAOYSA-N 0 3 346.387 2.733 10 10 EFCEHN Cc1cc(Br)cc(CN2CC[NH+]3CCC2CC3)c1[O-] ZINC000377632146 476489897 /nfs/dbraw/zinc/48/98/97/476489897.db2.gz VDDUEKZUCSYCHO-UHFFFAOYSA-N 0 3 325.250 2.743 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000378449754 476710595 /nfs/dbraw/zinc/71/05/95/476710595.db2.gz BBTVXMANWVVQJZ-OAHLLOKOSA-N 0 3 335.835 2.710 10 10 EFCEHN CCOc1cccc(CN2CCC(Oc3cnccn3)CC2)c1O ZINC000365941674 476774736 /nfs/dbraw/zinc/77/47/36/476774736.db2.gz QDYICBHACAUKJD-UHFFFAOYSA-N 0 3 329.400 2.624 10 10 EFCEHN C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000376797128 477505911 /nfs/dbraw/zinc/50/59/11/477505911.db2.gz TWYFCPNFFNGSCZ-CABCVRRESA-N 0 3 346.452 2.506 10 10 EFCEHN [O-]c1ccc(Cl)c(F)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248495 477880119 /nfs/dbraw/zinc/88/01/19/477880119.db2.gz LFDCZCHDYSJCIY-CYBMUJFWSA-N 0 3 342.842 2.775 10 10 EFCEHN CCOc1cccc(CNC[C@H](n2cccn2)C(F)(F)F)c1O ZINC000527747506 478500697 /nfs/dbraw/zinc/50/06/97/478500697.db2.gz YLTBECQJJKQOGL-ZDUSSCGKSA-N 0 3 329.322 2.881 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005495 478610609 /nfs/dbraw/zinc/61/06/09/478610609.db2.gz QGLFQVXCVZRYOH-YVEFUNNKSA-N 0 3 326.396 2.878 10 10 EFCEHN COc1cc([O-])c(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1OC ZINC000529641302 479232932 /nfs/dbraw/zinc/23/29/32/479232932.db2.gz PBXXEJIUCSASGW-MRXNPFEDSA-N 0 3 334.460 2.906 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000529667848 479242533 /nfs/dbraw/zinc/24/25/33/479242533.db2.gz AOYOKYGZELRABR-OAHLLOKOSA-N 0 3 346.814 2.971 10 10 EFCEHN CC(C)Oc1ccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662808463 481979733 /nfs/dbraw/zinc/97/97/33/481979733.db2.gz ANLOQEDLQPYNCM-CYBMUJFWSA-N 0 3 328.416 2.550 10 10 EFCEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176285931 529096192 /nfs/dbraw/zinc/09/61/92/529096192.db2.gz OJVIAFVTZQYZSV-HNNXBMFYSA-N 0 3 336.455 2.517 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000753992930 575372325 /nfs/dbraw/zinc/37/23/25/575372325.db2.gz MSUQYOHTCFIJJE-CYBMUJFWSA-N 0 3 329.396 2.800 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000753992930 575372329 /nfs/dbraw/zinc/37/23/29/575372329.db2.gz MSUQYOHTCFIJJE-CYBMUJFWSA-N 0 3 329.396 2.800 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000756731264 575782104 /nfs/dbraw/zinc/78/21/04/575782104.db2.gz FXQVXNRABVEEQR-HINSOXJESA-N 0 3 328.456 2.931 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c([O-])c1C ZINC000756780379 575786145 /nfs/dbraw/zinc/78/61/45/575786145.db2.gz SRIGETOMVJWVNP-AWEZNQCLSA-N 0 3 325.474 2.875 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[O-] ZINC000762485979 576306878 /nfs/dbraw/zinc/30/68/78/576306878.db2.gz LREAKGZUBDZVQK-BXKDBHETSA-N 0 3 330.222 2.678 10 10 EFCEHN COc1cccc(N2C[C@H](NCc3ccc4c(c3)CCO4)CC2=O)c1 ZINC000725853044 577251124 /nfs/dbraw/zinc/25/11/24/577251124.db2.gz NBXVBNOQTRXHPT-MRXNPFEDSA-N 0 3 338.407 2.525 10 10 EFCEHN CCOc1ccc(CN2CCN(c3cccc(O)c3)CC2)c(O)c1 ZINC000768212582 577261140 /nfs/dbraw/zinc/26/11/40/577261140.db2.gz MAZNSQSBKYYWPU-UHFFFAOYSA-N 0 3 328.412 2.819 10 10 EFCEHN CC(C)NC(=S)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768296496 577264880 /nfs/dbraw/zinc/26/48/80/577264880.db2.gz OJIWVURAXLJCDO-UHFFFAOYSA-N 0 3 346.544 2.591 10 10 EFCEHN COc1ccccc1CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452125 577275084 /nfs/dbraw/zinc/27/50/84/577275084.db2.gz OWZOOBMCNQTHHP-QGZVFWFLSA-N 0 3 329.396 2.501 10 10 EFCEHN COc1ccccc1CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768452125 577275085 /nfs/dbraw/zinc/27/50/85/577275085.db2.gz OWZOOBMCNQTHHP-QGZVFWFLSA-N 0 3 329.396 2.501 10 10 EFCEHN [O-]c1cc2c(cc1C[NH+]1CCC(c3cccnc3)CC1)[C@@H](O)CO2 ZINC000768458600 577275375 /nfs/dbraw/zinc/27/53/75/577275375.db2.gz CRORJHPEVTUUQE-SFHVURJKSA-N 0 3 326.396 2.593 10 10 EFCEHN CN(Cc1cccc(Br)c1[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769325952 577352193 /nfs/dbraw/zinc/35/21/93/577352193.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 0 3 325.250 2.823 10 10 EFCEHN CN(Cc1cccc(Br)c1[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000769325952 577352195 /nfs/dbraw/zinc/35/21/95/577352195.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 0 3 325.250 2.823 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000769404232 577359748 /nfs/dbraw/zinc/35/97/48/577359748.db2.gz LCRHGDLDAQPNSS-OAHLLOKOSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000769404232 577359749 /nfs/dbraw/zinc/35/97/49/577359749.db2.gz LCRHGDLDAQPNSS-OAHLLOKOSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000769405960 577360068 /nfs/dbraw/zinc/36/00/68/577360068.db2.gz ZMIVCWGZLLIYIR-INIZCTEOSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000769405960 577360069 /nfs/dbraw/zinc/36/00/69/577360069.db2.gz ZMIVCWGZLLIYIR-INIZCTEOSA-N 0 3 332.444 2.625 10 10 EFCEHN Fc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1N1CCOCC1 ZINC000769427511 577361963 /nfs/dbraw/zinc/36/19/63/577361963.db2.gz MNBCOVUBRYYPOZ-UHFFFAOYSA-N 0 3 344.434 2.765 10 10 EFCEHN CCN(CC)c1ccc(CN2CCC(OCCC(=O)NC)CC2)cc1 ZINC000770287200 577410160 /nfs/dbraw/zinc/41/01/60/577410160.db2.gz VYCZYLOVGHYWDG-UHFFFAOYSA-N 0 3 347.503 2.650 10 10 EFCEHN CCN(C)c1ccc(CN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000773757392 581462160 /nfs/dbraw/zinc/46/21/60/581462160.db2.gz YQHDTHIPBTYXRD-FQEVSTJZSA-N 0 3 331.504 2.829 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773853136 581469784 /nfs/dbraw/zinc/46/97/84/581469784.db2.gz YCKJZVBKNGBYDT-QZTJIDSGSA-N 0 3 334.460 2.685 10 10 EFCEHN Oc1cc2c(cc1CN1CCN(c3ccc(F)cn3)CC1)CCC2 ZINC000774644757 581496313 /nfs/dbraw/zinc/49/63/13/581496313.db2.gz ICNQASGHWAVTKZ-UHFFFAOYSA-N 0 3 327.403 2.737 10 10 EFCEHN CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000301358923 1249744202 /nfs/dbraw/zinc/74/42/02/1249744202.db2.gz DYJGRFBLICJQBY-AWEZNQCLSA-N 0 3 336.432 2.977 10 10 EFCEHN C[C@H](NCc1cnn2c1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076774 1250266283 /nfs/dbraw/zinc/26/62/83/1250266283.db2.gz CHVATOCKCQOSAG-HNNXBMFYSA-N 0 3 326.444 2.517 10 10 EFCEHN C[C@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367650 1250450911 /nfs/dbraw/zinc/45/09/11/1250450911.db2.gz BFOHOKLCZRAKKP-RDJZCZTQSA-N 0 3 336.501 2.732 10 10 EFCEHN C[C@@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367651 1250451173 /nfs/dbraw/zinc/45/11/73/1250451173.db2.gz BFOHOKLCZRAKKP-WBVHZDCISA-N 0 3 336.501 2.732 10 10 EFCEHN Fc1cc(CN[C@H]2COC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000850473242 1250497258 /nfs/dbraw/zinc/49/72/58/1250497258.db2.gz CZVDAACZULXHHA-CQSZACIVSA-N 0 3 338.398 2.603 10 10 EFCEHN C[C@H]1C[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000850485896 1250502051 /nfs/dbraw/zinc/50/20/51/1250502051.db2.gz OUDQXPQUBKCNFD-AAEUAGOBSA-N 0 3 341.448 2.884 10 10 EFCEHN Cc1cc(C)c([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000850487060 1250504390 /nfs/dbraw/zinc/50/43/90/1250504390.db2.gz XWESVGLQEGRWAU-CQSZACIVSA-N 0 3 325.474 2.875 10 10 EFCEHN COc1cccc([C@@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500048 1250510386 /nfs/dbraw/zinc/51/03/86/1250510386.db2.gz CKFFKSAABSNJAZ-DOMZBBRYSA-N 0 3 326.396 2.639 10 10 EFCEHN COc1cccc([C@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500051 1250510879 /nfs/dbraw/zinc/51/08/79/1250510879.db2.gz CKFFKSAABSNJAZ-SWLSCSKDSA-N 0 3 326.396 2.639 10 10 EFCEHN COc1cccc([C@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500052 1250510953 /nfs/dbraw/zinc/51/09/53/1250510953.db2.gz CKFFKSAABSNJAZ-WFASDCNBSA-N 0 3 326.396 2.639 10 10 EFCEHN CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921566012 1257467384 /nfs/dbraw/zinc/46/73/84/1257467384.db2.gz RLIXWECTYJKJLU-CQSZACIVSA-N 0 3 337.439 2.699 10 10 EFCEHN CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921566012 1257467386 /nfs/dbraw/zinc/46/73/86/1257467386.db2.gz RLIXWECTYJKJLU-CQSZACIVSA-N 0 3 337.439 2.699 10 10 EFCEHN CN1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1c1ccccc1 ZINC000921677618 1260276678 /nfs/dbraw/zinc/27/66/78/1260276678.db2.gz FQUYFIQOPGTNPV-WMZOPIPTSA-N 0 3 343.402 2.776 10 10 EFCEHN C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877429 1263061957 /nfs/dbraw/zinc/06/19/57/1263061957.db2.gz FUTPWQAWPLODKT-UONOGXRCSA-N 0 3 349.450 2.984 10 10 EFCEHN C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921877429 1263061963 /nfs/dbraw/zinc/06/19/63/1263061963.db2.gz FUTPWQAWPLODKT-UONOGXRCSA-N 0 3 349.450 2.984 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653672 1278219368 /nfs/dbraw/zinc/21/93/68/1278219368.db2.gz FELPEDYFUJBDKX-MAZHCROVSA-N 0 3 325.836 2.716 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653672 1278219378 /nfs/dbraw/zinc/21/93/78/1278219378.db2.gz FELPEDYFUJBDKX-MAZHCROVSA-N 0 3 325.836 2.716 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653671 1278220124 /nfs/dbraw/zinc/22/01/24/1278220124.db2.gz FELPEDYFUJBDKX-DAXOMENPSA-N 0 3 325.836 2.716 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653671 1278220145 /nfs/dbraw/zinc/22/01/45/1278220145.db2.gz FELPEDYFUJBDKX-DAXOMENPSA-N 0 3 325.836 2.716 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000824625075 1278227551 /nfs/dbraw/zinc/22/75/51/1278227551.db2.gz DYJWYBXEOXTEFR-GFCCVEGCSA-N 0 3 330.222 2.820 10 10 EFCEHN C[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000824714000 1278259809 /nfs/dbraw/zinc/25/98/09/1278259809.db2.gz MCNUYDTZHXFGIZ-CQSZACIVSA-N 0 3 325.250 2.823 10 10 EFCEHN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000824714000 1278259819 /nfs/dbraw/zinc/25/98/19/1278259819.db2.gz MCNUYDTZHXFGIZ-CQSZACIVSA-N 0 3 325.250 2.823 10 10 EFCEHN C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130403 1278424439 /nfs/dbraw/zinc/42/44/39/1278424439.db2.gz XJOYTEHXFQERTC-WBMJQRKESA-N 0 3 346.393 2.743 10 10 EFCEHN OCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000740899869 1269167073 /nfs/dbraw/zinc/16/70/73/1269167073.db2.gz GKGZEFOLSRFAIC-QGZVFWFLSA-N 0 3 332.469 2.798 10 10 EFCEHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000742393209 1270019814 /nfs/dbraw/zinc/01/98/14/1270019814.db2.gz WVNGQNKHQDXMRK-SZVBFZGTSA-N 0 3 327.472 2.776 10 10 EFCEHN CN(C)c1ccc(CN(C[C@@H]2CN(C3CC3)C(=O)O2)C2CC2)cc1 ZINC000844276815 1278850266 /nfs/dbraw/zinc/85/02/66/1278850266.db2.gz INVHSEPDZDFEDH-GOSISDBHSA-N 0 3 329.444 2.700 10 10 EFCEHN C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)c1ccccc1[O-] ZINC000694745032 1275604815 /nfs/dbraw/zinc/60/48/15/1275604815.db2.gz HUNMSTSOFZYEMK-HKUYNNGSSA-N 0 3 339.483 2.859 10 10 EFCEHN C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1[O-] ZINC000817980029 1276419964 /nfs/dbraw/zinc/41/99/64/1276419964.db2.gz HTGMXVSRJTVJPR-UFBFGSQYSA-N 0 3 335.192 2.803 10 10 EFCEHN COc1ccc(N2CCN(C[C@H](O)C3CCCCC3)CC2)cc1F ZINC000789326170 1276659253 /nfs/dbraw/zinc/65/92/53/1276659253.db2.gz FBVPIIKGLPQARG-SFHVURJKSA-N 0 3 336.451 2.898 10 10 EFCEHN CCOC(=O)C1(COC)CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000815106274 1287328635 /nfs/dbraw/zinc/32/86/35/1287328635.db2.gz RXOPTRTYHVULBI-UHFFFAOYSA-N 0 3 348.487 2.934 10 10 EFCEHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCc2ccccc21 ZINC000844742227 1279211071 /nfs/dbraw/zinc/21/10/71/1279211071.db2.gz NTKMLANUTDKECB-BFUOFWGJSA-N 0 3 325.408 2.980 10 10 EFCEHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCc2ccccc21 ZINC000844742227 1279211079 /nfs/dbraw/zinc/21/10/79/1279211079.db2.gz NTKMLANUTDKECB-BFUOFWGJSA-N 0 3 325.408 2.980 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846011698 1279976218 /nfs/dbraw/zinc/97/62/18/1279976218.db2.gz ONERKZSKECXFAA-FQEVSTJZSA-N 0 3 327.424 2.757 10 10 EFCEHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476176 1280191525 /nfs/dbraw/zinc/19/15/25/1280191525.db2.gz JVYIVYIIEQFGES-INIZCTEOSA-N 0 3 328.815 2.874 10 10 EFCEHN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC001144879675 1280347813 /nfs/dbraw/zinc/34/78/13/1280347813.db2.gz UFNGPAOYKAYIOB-LJQANCHMSA-N 0 3 345.487 2.607 10 10 EFCEHN COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000808742310 1281893002 /nfs/dbraw/zinc/89/30/02/1281893002.db2.gz OQZABXWCILWWIN-FOIQADDNSA-N 0 3 343.423 2.879 10 10 EFCEHN COC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000808742310 1281893007 /nfs/dbraw/zinc/89/30/07/1281893007.db2.gz OQZABXWCILWWIN-FOIQADDNSA-N 0 3 343.423 2.879 10 10 EFCEHN CNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])c1 ZINC000809720390 1282426462 /nfs/dbraw/zinc/42/64/62/1282426462.db2.gz FQTBJBIDTYVHSA-UHFFFAOYSA-N 0 3 348.830 2.769 10 10 EFCEHN Cc1cc(C)c([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000815600506 1287625295 /nfs/dbraw/zinc/62/52/95/1287625295.db2.gz WDKBBKPYHXKYQD-AWEZNQCLSA-N 0 3 325.474 2.875 10 10 EFCEHN CN(C)c1cc(F)c(CNC[C@@H]2CC3(CO2)CCOCC3)cc1F ZINC000864053072 1302764215 /nfs/dbraw/zinc/76/42/15/1302764215.db2.gz GMXISXJHUKRXRF-AWEZNQCLSA-N 0 3 340.414 2.706 10 10 EFCEHN COc1ccc(O)c(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636063 1289733106 /nfs/dbraw/zinc/73/31/06/1289733106.db2.gz LPESJDWLUZFDOM-MJGOQNOKSA-N 0 3 331.387 2.701 10 10 EFCEHN COc1cccc(O)c1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824637211 1289734081 /nfs/dbraw/zinc/73/40/81/1289734081.db2.gz WSJPWRWUZAZYSJ-LPHOPBHVSA-N 0 3 331.387 2.701 10 10 EFCEHN CNC(=O)C[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849529 1291553474 /nfs/dbraw/zinc/55/34/74/1291553474.db2.gz KXFDUFVEBSTQCL-SUMWQHHRSA-N 0 3 328.412 2.929 10 10 EFCEHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(N)C(F)(F)F ZINC000826035956 1291623423 /nfs/dbraw/zinc/62/34/23/1291623423.db2.gz QGAYJBSNMIODRE-AWEZNQCLSA-N 0 3 329.366 2.525 10 10 EFCEHN CC(=O)c1cc(Cl)cc(Cn2cc(CNC3CCCC3)nn2)c1O ZINC000880998819 1292715295 /nfs/dbraw/zinc/71/52/95/1292715295.db2.gz AVCGGCOEEGQYIR-UHFFFAOYSA-N 0 3 348.834 2.920 10 10 EFCEHN CC1CC(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001233587429 1312961433 /nfs/dbraw/zinc/96/14/33/1312961433.db2.gz YLEWFIRYNFKAGB-JTTJXQCZSA-N 0 3 332.492 2.701 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCC23CC3)N(C)C)cc1 ZINC001234168872 1313073051 /nfs/dbraw/zinc/07/30/51/1313073051.db2.gz CVKCPSRPQFJIGD-ROUUACIJSA-N 0 3 344.503 2.987 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCC23CC3)N(C)C)cc1 ZINC001234168869 1313073065 /nfs/dbraw/zinc/07/30/65/1313073065.db2.gz CVKCPSRPQFJIGD-MSOLQXFVSA-N 0 3 344.503 2.987 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c([O-])c1 ZINC000886340513 1294874041 /nfs/dbraw/zinc/87/40/41/1294874041.db2.gz HXXOYLVPKKJBGU-BDEJMISXSA-N 0 3 335.444 2.853 10 10 EFCEHN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000775835116 1294964761 /nfs/dbraw/zinc/96/47/61/1294964761.db2.gz FKIAAYPVSOVLHB-KFKAGJAMSA-N 0 3 345.487 2.573 10 10 EFCEHN C[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000775834510 1294977791 /nfs/dbraw/zinc/97/77/91/1294977791.db2.gz ULFJNADIQZHLTM-ZDUSSCGKSA-N 0 3 341.411 2.771 10 10 EFCEHN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1F ZINC000852411499 1299695468 /nfs/dbraw/zinc/69/54/68/1299695468.db2.gz GNPWVIRPJDITBN-AWEZNQCLSA-N 0 3 336.455 2.564 10 10 EFCEHN NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC2(CCC2)C1 ZINC000852860993 1299917530 /nfs/dbraw/zinc/91/75/30/1299917530.db2.gz XNXVGDVXFYDGKA-UHFFFAOYSA-N 0 3 345.512 2.518 10 10 EFCEHN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](F)[C@H](N)C3)c2C)cc1 ZINC000852918812 1299938130 /nfs/dbraw/zinc/93/81/30/1299938130.db2.gz JCUZNILWYGRHCR-QZTJIDSGSA-N 0 3 345.418 2.614 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1[O-] ZINC000853566213 1300170709 /nfs/dbraw/zinc/17/07/09/1300170709.db2.gz NBRAWLNCHIWSML-XOBRGWDASA-N 0 3 341.407 2.800 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1[O-] ZINC000853566213 1300170714 /nfs/dbraw/zinc/17/07/14/1300170714.db2.gz NBRAWLNCHIWSML-XOBRGWDASA-N 0 3 341.407 2.800 10 10 EFCEHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)N3CCCCCC3)C2)cc1 ZINC000855229636 1300850608 /nfs/dbraw/zinc/85/06/08/1300850608.db2.gz BMQFORKZPFNVQD-DLBZAZTESA-N 0 3 345.487 2.655 10 10 EFCEHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000862240838 1302320555 /nfs/dbraw/zinc/32/05/55/1302320555.db2.gz PJCURGSVQFWFFP-GFCCVEGCSA-N 0 3 325.250 2.823 10 10 EFCEHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000862240838 1302320567 /nfs/dbraw/zinc/32/05/67/1302320567.db2.gz PJCURGSVQFWFFP-GFCCVEGCSA-N 0 3 325.250 2.823 10 10 EFCEHN CN(C)c1ccc(/C=C/CN[C@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432884 1302383722 /nfs/dbraw/zinc/38/37/22/1302383722.db2.gz QFIURTULNZQMPR-RRFGBZISSA-N 0 3 326.440 2.969 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000866489498 1303660329 /nfs/dbraw/zinc/66/03/29/1303660329.db2.gz PMUVBEBDGCRBOL-ZHAHWJHGSA-N 0 3 330.222 2.727 10 10 EFCEHN Cc1cc(C(=O)CN2CC[C@@H]3CN(C)C[C@H]32)c(C)n1-c1ccccc1 ZINC000794954171 1303806392 /nfs/dbraw/zinc/80/63/92/1303806392.db2.gz MOPOKQVBTOHVLK-YLJYHZDGSA-N 0 3 337.467 2.913 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCn2cccn2)c1[O-] ZINC000848534401 1334780477 /nfs/dbraw/zinc/78/04/77/1334780477.db2.gz ZLNOFIVJKBVHEN-SNVBAGLBSA-N 0 3 340.221 2.711 10 10 EFCEHN C[NH+]1CCC(CNC(=O)c2cc([O-])cs2)(c2ccccc2)CC1 ZINC000870187929 1305196564 /nfs/dbraw/zinc/19/65/64/1305196564.db2.gz JKRFTKOAEZLJBB-UHFFFAOYSA-N 0 3 330.453 2.847 10 10 EFCEHN CN1CCC(CNC(=O)C2=CC(=O)CS2)(c2ccccc2)CC1 ZINC000870187929 1305196571 /nfs/dbraw/zinc/19/65/71/1305196571.db2.gz JKRFTKOAEZLJBB-UHFFFAOYSA-N 0 3 330.453 2.847 10 10 EFCEHN Oc1cc2c(cc1CN1CC[C@@](F)(c3ccccc3)C1)[C@@H](O)CO2 ZINC000800858601 1308560266 /nfs/dbraw/zinc/56/02/66/1308560266.db2.gz BNQUYNLYTMLTEF-HKUYNNGSSA-N 0 3 329.371 2.889 10 10 EFCEHN COc1cccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1O ZINC000901127517 1309543623 /nfs/dbraw/zinc/54/36/23/1309543623.db2.gz JWFBIKUXSAKSKW-UHFFFAOYSA-N 0 3 339.395 2.935 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c([O-])c1 ZINC000903154873 1312415201 /nfs/dbraw/zinc/41/52/01/1312415201.db2.gz PSDBERMNTPULAV-NFOMZHRRSA-N 0 3 325.474 2.955 10 10 EFCEHN CC[C@@H](F)CNC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711162 1314688477 /nfs/dbraw/zinc/68/84/77/1314688477.db2.gz DZQMTDWVSQAHHR-UKRRQHHQSA-N 0 3 349.410 2.695 10 10 EFCEHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC001251400363 1315345994 /nfs/dbraw/zinc/34/59/94/1315345994.db2.gz HUIAOSUQXQDXCM-RHSMWYFYSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1cc(Br)cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000827151801 1315602023 /nfs/dbraw/zinc/60/20/23/1315602023.db2.gz KBXVCDURYGDOSD-MSRIBSCDSA-N 0 3 344.249 2.612 10 10 EFCEHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827544513 1315997371 /nfs/dbraw/zinc/99/73/71/1315997371.db2.gz CXGQSPBYXBPVSI-IBGZPJMESA-N 0 3 344.503 2.865 10 10 EFCEHN C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000382721438 1316556410 /nfs/dbraw/zinc/55/64/10/1316556410.db2.gz OQTMELMYPJRFTL-GXTWGEPZSA-N 0 3 336.432 2.975 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F)c1ccccc1[O-] ZINC001308010721 1324788830 /nfs/dbraw/zinc/78/88/30/1324788830.db2.gz XIUDANQFDDWCNQ-NEPJUHHUSA-N 0 3 345.374 2.919 10 10 EFCEHN CC[C@@H]1CCO[C@@H]1C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001321095134 1329342276 /nfs/dbraw/zinc/34/22/76/1329342276.db2.gz ALLVDFZOPADHOZ-UCHJRYNZSA-N 0 3 346.471 2.581 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)CC3(OC)CCC3)CC2)cc1C ZINC001323434651 1329543101 /nfs/dbraw/zinc/54/31/01/1329543101.db2.gz CILBIPVZRYUYAY-UHFFFAOYSA-N 0 3 346.471 2.701 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCC2)c1[O-] ZINC000848513500 1334768485 /nfs/dbraw/zinc/76/84/85/1334768485.db2.gz FNEJDRMHXCQDOI-LLVKDONJSA-N 0 3 343.265 2.910 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCOC2)c1[O-] ZINC000848528444 1334776261 /nfs/dbraw/zinc/77/62/61/1334776261.db2.gz MCIWJAOJNSFHFN-ONGXEEELSA-N 0 3 330.222 2.993 10 10 EFCEHN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532919 1334780204 /nfs/dbraw/zinc/78/02/04/1334780204.db2.gz MNJXVNPMTMTNHF-MWLCHTKSSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1[O-] ZINC000848534705 1334780468 /nfs/dbraw/zinc/78/04/68/1334780468.db2.gz UFNMGKZBBBCPNL-NOZJJQNGSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC2)c1[O-] ZINC000848536967 1334782804 /nfs/dbraw/zinc/78/28/04/1334782804.db2.gz YQMGFNWJSUMGGD-JTQLQIEISA-N 0 3 329.238 2.520 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000848536634 1334783551 /nfs/dbraw/zinc/78/35/51/1334783551.db2.gz SAOPGQWODPARAW-CABZTGNLSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1[O-] ZINC000848548208 1334788259 /nfs/dbraw/zinc/78/82/59/1334788259.db2.gz YEZVXJFAPQMGIG-JBLDHEPKSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000848551865 1334791177 /nfs/dbraw/zinc/79/11/77/1334791177.db2.gz DOSRSMBCKZCASP-GBIKHYSHSA-N 0 3 344.249 2.975 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000848923800 1334988777 /nfs/dbraw/zinc/98/87/77/1334988777.db2.gz PYWKGOUSEUEJQS-MCIONIFRSA-N 0 3 326.868 2.941 10 10 EFCEHN COc1cc(O)c(CNc2ccc([C@@H]3CNCCO3)cc2)cc1OC ZINC000849352541 1335597259 /nfs/dbraw/zinc/59/72/59/1335597259.db2.gz OCJGVVUZWRRRDD-IBGZPJMESA-N 0 3 344.411 2.682 10 10 EFCEHN COc1cc(O)c(CNc2ccc([C@H]3CNCCO3)cc2)cc1OC ZINC000849352542 1335597383 /nfs/dbraw/zinc/59/73/83/1335597383.db2.gz OCJGVVUZWRRRDD-LJQANCHMSA-N 0 3 344.411 2.682 10 10 EFCEHN COc1ccc(N2CCCN(Cc3cccc(N(C)C)n3)CC2)cc1 ZINC001459355532 1395820765 /nfs/dbraw/zinc/82/07/65/1395820765.db2.gz ZORNJWPMNUKRTP-UHFFFAOYSA-N 0 3 340.471 2.869 10 10 EFCEHN Cc1[nH]cnc1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001464962934 1396635076 /nfs/dbraw/zinc/63/50/76/1396635076.db2.gz SKLANOGJKALEGE-UHFFFAOYSA-N 0 3 326.444 2.813 10 10 EFCEHN C[N@H+](CCc1cccc(NC(=O)c2cccc(O)c2[O-])c1)C1CC1 ZINC001466485659 1396756137 /nfs/dbraw/zinc/75/61/37/1396756137.db2.gz CPUNMNVDKVQGPF-UHFFFAOYSA-N 0 3 326.396 2.987 10 10 EFCEHN C[N@@H+](CCc1cccc(NC(=O)c2cccc(O)c2[O-])c1)C1CC1 ZINC001466485659 1396756140 /nfs/dbraw/zinc/75/61/40/1396756140.db2.gz CPUNMNVDKVQGPF-UHFFFAOYSA-N 0 3 326.396 2.987 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001470475239 1397092270 /nfs/dbraw/zinc/09/22/70/1397092270.db2.gz ZYUONKOVNPPBMF-XGXHKWSGSA-N 0 3 344.503 2.843 10 10 EFCEHN C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001473262904 1397292548 /nfs/dbraw/zinc/29/25/48/1397292548.db2.gz NDPMJMMPMXJPSM-KRWDZBQOSA-N 0 3 344.455 2.956 10 10 EFCEHN C[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001473262904 1397292551 /nfs/dbraw/zinc/29/25/51/1397292551.db2.gz NDPMJMMPMXJPSM-KRWDZBQOSA-N 0 3 344.455 2.956 10 10 EFCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473723164 1397324685 /nfs/dbraw/zinc/32/46/85/1397324685.db2.gz ZRXDDPDAWAUILA-VXGBXAGGSA-N 0 3 329.356 2.978 10 10 EFCEHN CCc1oncc1C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001497694905 1401559212 /nfs/dbraw/zinc/55/92/12/1401559212.db2.gz XGCSGYHOOPMYKA-WAYWQWQTSA-N 0 3 343.427 2.630 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC001560075216 1415262601 /nfs/dbraw/zinc/26/26/01/1415262601.db2.gz WWLBTSJUJXAHRW-MNOVXSKESA-N 0 3 340.383 2.652 10 10 EFCEHN CC(C)C1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001684608059 1416724359 /nfs/dbraw/zinc/72/43/59/1416724359.db2.gz ZPBMXGCKQKPBHL-QGZVFWFLSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)C2(CF)CCC2)cc1C ZINC001716346201 1418789175 /nfs/dbraw/zinc/78/91/75/1418789175.db2.gz HDZDDUFBCGTLJM-ONEGZZNKSA-N 0 3 334.435 2.905 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2ncccc2F)cc1C ZINC001716356848 1418797365 /nfs/dbraw/zinc/79/73/65/1418797365.db2.gz BDNUTVMLUGLUNL-ARJAWSKDSA-N 0 3 343.402 2.614 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCC3(F)F)CC2)cc1C ZINC001716684629 1418957257 /nfs/dbraw/zinc/95/72/57/1418957257.db2.gz WLVNWNMOSFQAKZ-CQSZACIVSA-N 0 3 338.398 2.787 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cc(F)c[nH]3)CC2)cc1C ZINC001716688172 1418958675 /nfs/dbraw/zinc/95/86/75/1418958675.db2.gz WZVZIDGLZGEZND-UHFFFAOYSA-N 0 3 331.391 2.523 10 10 EFCEHN CC[C@@H](F)CNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001717162848 1419244429 /nfs/dbraw/zinc/24/44/29/1419244429.db2.gz KFYAQLMBZGIRAC-CYBMUJFWSA-N 0 3 349.410 2.839 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ncccc3F)CC2)cc1C ZINC001723575974 1424524848 /nfs/dbraw/zinc/52/48/48/1424524848.db2.gz AUKPXRHCWXMEGU-UHFFFAOYSA-N 0 3 343.402 2.590 10 10 EFCEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc(Br)ccc1O ZINC000804739296 713456422 /nfs/dbraw/zinc/45/64/22/713456422.db2.gz VDCYJGRALZIQEA-GHMZBOCLSA-N 0 3 341.249 2.644 10 10 EFCEHN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](N2CCCC2)C1 ZINC000896104694 723139518 /nfs/dbraw/zinc/13/95/18/723139518.db2.gz IESGGIOPTBCWEB-GFCCVEGCSA-N 0 3 332.425 2.623 10 10 EFCEHN CN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000894003547 720217749 /nfs/dbraw/zinc/21/77/49/720217749.db2.gz NJAHDBSATVATNU-CYBMUJFWSA-N 0 3 343.240 2.962 10 10 EFCEHN CN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000894003547 720217752 /nfs/dbraw/zinc/21/77/52/720217752.db2.gz NJAHDBSATVATNU-CYBMUJFWSA-N 0 3 343.240 2.962 10 10 EFCEHN COC(=O)c1c(CNCCc2ccns2)c2cc(F)ccc2n1C ZINC000895527272 724178730 /nfs/dbraw/zinc/17/87/30/724178730.db2.gz LGMXGNJQCFLNBE-UHFFFAOYSA-N 0 3 347.415 2.893 10 10 EFCEHN C[C@H]1CCCCN1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895739491 724288543 /nfs/dbraw/zinc/28/85/43/724288543.db2.gz CQTNSCVRLNYTDN-NSHDSACASA-N 0 3 334.441 2.917 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1[O-] ZINC000895754076 724299206 /nfs/dbraw/zinc/29/92/06/724299206.db2.gz VXYPASWICXTCFO-OAHLLOKOSA-N 0 3 339.794 2.887 10 10 EFCEHN C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1c([O-])cccc1F ZINC000914098854 726039120 /nfs/dbraw/zinc/03/91/20/726039120.db2.gz MELSSFFITGWBMT-AWEZNQCLSA-N 0 3 337.439 2.985 10 10 EFCEHN C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1c([O-])cccc1F ZINC000914098854 726039121 /nfs/dbraw/zinc/03/91/21/726039121.db2.gz MELSSFFITGWBMT-AWEZNQCLSA-N 0 3 337.439 2.985 10 10 EFCEHN COc1cc(CN2CCC[C@@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164139351 727915932 /nfs/dbraw/zinc/91/59/32/727915932.db2.gz QJEINWQLBLMUMM-OAHLLOKOSA-N 0 3 334.460 2.799 10 10 EFCEHN CCOc1ccnc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164381706 727937009 /nfs/dbraw/zinc/93/70/09/727937009.db2.gz YTVNXCSNJNUGCB-UHFFFAOYSA-N 0 3 342.443 2.520 10 10 EFCEHN C[C@@](CO)(NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237653911 729596966 /nfs/dbraw/zinc/59/69/66/729596966.db2.gz KSWLSDGOAZPOEF-FQEVSTJZSA-N 0 3 326.440 2.521 10 10 EFCEHN COc1ccc(N2CC[C@H](CNC(=O)C3(N(C)C)CCCC3)C2)cc1 ZINC001570565413 1086369070 /nfs/dbraw/zinc/36/90/70/1086369070.db2.gz NQKMVXQCYUGFDK-MRXNPFEDSA-N 0 3 345.487 2.512 10 10 EFCEHN CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267716145 1095622314 /nfs/dbraw/zinc/62/23/14/1095622314.db2.gz HRANGOMEAPIRKE-HOTGVXAUSA-N 0 3 343.431 2.938 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CC3)CCC2)N(C)C)cc1 ZINC001638923644 1100899212 /nfs/dbraw/zinc/89/92/12/1100899212.db2.gz YXMQAJOEKXJWCL-GOSISDBHSA-N 0 3 344.503 2.987 10 10 EFCEHN Cc1cc(CNC2(C(=O)NCC3CC3)CCCC2)ccc1N(C)C ZINC001642129961 1101191792 /nfs/dbraw/zinc/19/17/92/1101191792.db2.gz QEWDXRGMXBYFOC-UHFFFAOYSA-N 0 3 329.488 2.990 10 10 EFCEHN COc1cc([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)cc1OC ZINC001643213861 1101280817 /nfs/dbraw/zinc/28/08/17/1101280817.db2.gz OMXHWBLBCULEAE-AWEZNQCLSA-N 0 3 343.383 2.763 10 10 EFCEHN CC1(C)CN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC001652465105 1101493661 /nfs/dbraw/zinc/49/36/61/1101493661.db2.gz ZICGDYWZXLMAPZ-UHFFFAOYSA-N 0 3 346.471 2.774 10 10 EFCEHN CC1(C)CN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CCO1 ZINC001652465105 1101493665 /nfs/dbraw/zinc/49/36/65/1101493665.db2.gz ZICGDYWZXLMAPZ-UHFFFAOYSA-N 0 3 346.471 2.774 10 10 EFCEHN CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529720 1101515397 /nfs/dbraw/zinc/51/53/97/1101515397.db2.gz WXPQWTQJYMAYLK-ONGXEEELSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1ccc(CNC2(C(=O)N3CCOCC3)CCCCC2)cc1C ZINC001655082616 1101784002 /nfs/dbraw/zinc/78/40/02/1101784002.db2.gz MWJRNWFINROLCU-UHFFFAOYSA-N 0 3 346.471 2.655 10 10 EFCEHN CN(CCF)C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266475520 1102222660 /nfs/dbraw/zinc/22/26/60/1102222660.db2.gz HCNCYMNZWNFDLG-CYBMUJFWSA-N 0 3 349.410 2.603 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H](C)[C@H]3CCCO3)CC2)cc1C ZINC001670850491 1104742251 /nfs/dbraw/zinc/74/22/51/1104742251.db2.gz KVGLUAMMNOEUJY-CRAIPNDOSA-N 0 3 346.471 2.557 10 10 EFCEHN CC[C@@H]1CC[C@@H](C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)O1 ZINC001483015176 1105556189 /nfs/dbraw/zinc/55/61/89/1105556189.db2.gz FYMRXZAKUNOOLL-UCHJRYNZSA-N 0 3 346.471 2.723 10 10 EFCEHN CC(C)N1CC[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897939945 1106160998 /nfs/dbraw/zinc/16/09/98/1106160998.db2.gz VUHCCOOSVFQBNM-LBPRGKRZSA-N 0 3 334.441 2.867 10 10 EFCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925328816 1107415886 /nfs/dbraw/zinc/41/58/86/1107415886.db2.gz LEMFFWNAJOUYBN-QAPCUYQASA-N 0 3 332.492 2.765 10 10 EFCEHN COc1ccc([C@H](NC(C)C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000899174838 1109235625 /nfs/dbraw/zinc/23/56/25/1109235625.db2.gz ZZLMBOCUVMKWGK-IBGZPJMESA-N 0 3 340.423 2.982 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1C ZINC001483778715 1112437788 /nfs/dbraw/zinc/43/77/88/1112437788.db2.gz LRZCUCWCQFNDMU-RDJZCZTQSA-N 0 3 346.471 2.557 10 10 EFCEHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(O)c1O ZINC000248415191 240289916 /nfs/dbraw/zinc/28/99/16/240289916.db2.gz NUCNHRZYXACVJQ-CVEARBPZSA-N 0 3 326.396 2.581 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c([O-])c1 ZINC000248515198 240291202 /nfs/dbraw/zinc/29/12/02/240291202.db2.gz NYJBKVOHPLOXTO-QXAKKESOSA-N 0 3 340.467 2.987 10 10 EFCEHN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000271949102 240644490 /nfs/dbraw/zinc/64/44/90/240644490.db2.gz AYTAFRNQRXXOEC-UHFFFAOYSA-N 0 3 327.808 2.556 10 10 EFCEHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CC2 ZINC000296413414 241085951 /nfs/dbraw/zinc/08/59/51/241085951.db2.gz LAGGOPNGEJGKET-INIZCTEOSA-N 0 3 343.402 2.540 10 10 EFCEHN CCOc1ccc([O-])c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000362355744 242251611 /nfs/dbraw/zinc/25/16/11/242251611.db2.gz YXEXSCWGGFDOPU-UHFFFAOYSA-N 0 3 342.443 2.708 10 10 EFCEHN CN(Cc1ccc(N2CCOCC2)cc1)Cn1cnc2ccccc21 ZINC000012534408 258054525 /nfs/dbraw/zinc/05/45/25/258054525.db2.gz FXNKDLCXXPFOIJ-UHFFFAOYSA-N 0 3 336.439 2.962 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000529667847 316941216 /nfs/dbraw/zinc/94/12/16/316941216.db2.gz AOYOKYGZELRABR-HNNXBMFYSA-N 0 3 346.814 2.971 10 10 EFCEHN C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000184992428 473294615 /nfs/dbraw/zinc/29/46/15/473294615.db2.gz HBVGQGUEKZVTIW-KDOFPFPSSA-N 0 3 344.430 2.601 10 10 EFCEHN CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190489893 473294426 /nfs/dbraw/zinc/29/44/26/473294426.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 0 3 329.419 2.880 10 10 EFCEHN CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190489893 473294435 /nfs/dbraw/zinc/29/44/35/473294435.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 0 3 329.419 2.880 10 10 EFCEHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccncc3)C2)cc1 ZINC000021707304 472002937 /nfs/dbraw/zinc/00/29/37/472002937.db2.gz BRGKFQAZQDURMO-QGZVFWFLSA-N 0 3 338.455 2.680 10 10 EFCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 ZINC000089726379 472494497 /nfs/dbraw/zinc/49/44/97/472494497.db2.gz FVPSBGJJEZEFQJ-KBXCAEBGSA-N 0 3 340.423 2.680 10 10 EFCEHN COc1ccc(O)c(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 ZINC000089726379 472494504 /nfs/dbraw/zinc/49/45/04/472494504.db2.gz FVPSBGJJEZEFQJ-KBXCAEBGSA-N 0 3 340.423 2.680 10 10 EFCEHN CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1[O-] ZINC000156501621 472716245 /nfs/dbraw/zinc/71/62/45/472716245.db2.gz YISOLRWGJJBUHH-HOCLYGCPSA-N 0 3 341.459 2.934 10 10 EFCEHN COc1cccc(CN2CCCN(Cc3csc(C)n3)CC2)c1O ZINC000157250624 472800651 /nfs/dbraw/zinc/80/06/51/472800651.db2.gz OGPVRKILUDXXHB-UHFFFAOYSA-N 0 3 347.484 2.874 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1C ZINC000121206335 472815363 /nfs/dbraw/zinc/81/53/63/472815363.db2.gz FHHGFOVKNHKDBW-UHFFFAOYSA-N 0 3 342.487 2.802 10 10 EFCEHN Cc1cc([O-])c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1C ZINC000121206335 472815371 /nfs/dbraw/zinc/81/53/71/472815371.db2.gz FHHGFOVKNHKDBW-UHFFFAOYSA-N 0 3 342.487 2.802 10 10 EFCEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000121908565 472942835 /nfs/dbraw/zinc/94/28/35/472942835.db2.gz NMQQKBDWTQMLAI-GOSISDBHSA-N 0 3 327.476 2.873 10 10 EFCEHN Cc1ccc(N2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])CC2)nn1 ZINC000093271756 473069820 /nfs/dbraw/zinc/06/98/20/473069820.db2.gz LUAJEMHPZSDKIW-UHFFFAOYSA-N 0 3 326.444 2.820 10 10 EFCEHN Cc1ccc(N2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])CC2)nn1 ZINC000093271756 473069825 /nfs/dbraw/zinc/06/98/25/473069825.db2.gz LUAJEMHPZSDKIW-UHFFFAOYSA-N 0 3 326.444 2.820 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000109033530 473075309 /nfs/dbraw/zinc/07/53/09/473075309.db2.gz CEABBAPPGGLAIW-HNNXBMFYSA-N 0 3 336.455 2.517 10 10 EFCEHN Cc1cnn(CCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000123843250 473192138 /nfs/dbraw/zinc/19/21/38/473192138.db2.gz ZDNOVBGXBQEBEA-OAHLLOKOSA-N 0 3 332.423 2.518 10 10 EFCEHN COc1cc(O)c(CN2CCCN(c3ccccn3)CC2)cc1OC ZINC000185694065 473491094 /nfs/dbraw/zinc/49/10/94/473491094.db2.gz AJMSWLHRERCERB-UHFFFAOYSA-N 0 3 343.427 2.517 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996743 473567181 /nfs/dbraw/zinc/56/71/81/473567181.db2.gz QVEDYMTXGZTKNG-STQMWFEESA-N 0 3 330.432 2.781 10 10 EFCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000186110081 473593236 /nfs/dbraw/zinc/59/32/36/473593236.db2.gz GUEPHLZWTXWGPB-CZUORRHYSA-N 0 3 331.460 2.725 10 10 EFCEHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179890056 473749569 /nfs/dbraw/zinc/74/95/69/473749569.db2.gz YBRAKPGMSHPXPU-UHFFFAOYSA-N 0 3 326.375 2.954 10 10 EFCEHN COc1ccc(O)c(CN2CCCN(Cc3cscn3)CC2)c1 ZINC000180031078 473782032 /nfs/dbraw/zinc/78/20/32/473782032.db2.gz BEWYCAVORVLIRL-UHFFFAOYSA-N 0 3 333.457 2.565 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000187228465 473841338 /nfs/dbraw/zinc/84/13/38/473841338.db2.gz XFQAXBUCHCAXGC-ZYHUDNBSSA-N 0 3 341.249 2.735 10 10 EFCEHN COc1cc([O-])c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000289668776 474371412 /nfs/dbraw/zinc/37/14/12/474371412.db2.gz DJDBJIMOGJPAKE-CYBMUJFWSA-N 0 3 330.384 2.677 10 10 EFCEHN Cc1cc(O)c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1C ZINC000189909156 474503860 /nfs/dbraw/zinc/50/38/60/474503860.db2.gz FZYKHMMHPRTKAN-UHFFFAOYSA-N 0 3 326.444 2.932 10 10 EFCEHN COc1cc([O-])c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1OC ZINC000290067308 474546310 /nfs/dbraw/zinc/54/63/10/474546310.db2.gz FOYPGVJBVBEEKL-AWEZNQCLSA-N 0 3 333.359 2.642 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000277361949 474582516 /nfs/dbraw/zinc/58/25/16/474582516.db2.gz FGSDFLUBTWKJND-CQSZACIVSA-N 0 3 326.868 2.945 10 10 EFCEHN Cc1cc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1N(C)C ZINC000271623396 474583932 /nfs/dbraw/zinc/58/39/32/474583932.db2.gz BVQMAWAUCKEMJG-AWEZNQCLSA-N 0 3 347.484 2.559 10 10 EFCEHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273456170 474908123 /nfs/dbraw/zinc/90/81/23/474908123.db2.gz IAHIZBRADNTXSS-QGZVFWFLSA-N 0 3 341.407 2.966 10 10 EFCEHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273456170 474908131 /nfs/dbraw/zinc/90/81/31/474908131.db2.gz IAHIZBRADNTXSS-QGZVFWFLSA-N 0 3 341.407 2.966 10 10 EFCEHN CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000268454028 474987730 /nfs/dbraw/zinc/98/77/30/474987730.db2.gz WUOYQKYAQRISRY-SFHVURJKSA-N 0 3 339.439 2.953 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)n(C)n1 ZINC000296582549 475381575 /nfs/dbraw/zinc/38/15/75/475381575.db2.gz WBTHSLOJXWGHJI-JKSUJKDBSA-N 0 3 326.444 2.680 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000359973374 476279129 /nfs/dbraw/zinc/27/91/29/476279129.db2.gz KUPDEMZFNYALRO-UHFFFAOYSA-N 0 3 333.815 2.674 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC(Oc3cnccn3)CC2)c1 ZINC000369681485 476475398 /nfs/dbraw/zinc/47/53/98/476475398.db2.gz MHZIDLSBRGMPIA-UHFFFAOYSA-N 0 3 329.400 2.624 10 10 EFCEHN COc1ccc(O)c(CN2CC[C@H](OCc3c(C)noc3C)C2)c1 ZINC000377684823 476518980 /nfs/dbraw/zinc/51/89/80/476518980.db2.gz YGOWAENZLSLMFK-INIZCTEOSA-N 0 3 332.400 2.797 10 10 EFCEHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1[O-])OCO2 ZINC000374997164 476626790 /nfs/dbraw/zinc/62/67/90/476626790.db2.gz SEVSITHVZJDOKT-LQDVMPOASA-N 0 3 341.411 2.765 10 10 EFCEHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1[O-])OCO2 ZINC000374997164 476626794 /nfs/dbraw/zinc/62/67/94/476626794.db2.gz SEVSITHVZJDOKT-LQDVMPOASA-N 0 3 341.411 2.765 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000368059373 477783056 /nfs/dbraw/zinc/78/30/56/477783056.db2.gz KEBOUOLLEYNNLH-OAHLLOKOSA-N 0 3 328.412 2.869 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000368059373 477783061 /nfs/dbraw/zinc/78/30/61/477783061.db2.gz KEBOUOLLEYNNLH-OAHLLOKOSA-N 0 3 328.412 2.869 10 10 EFCEHN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)o1 ZINC000527588736 478436933 /nfs/dbraw/zinc/43/69/33/478436933.db2.gz STAFNDUBQLZFPS-UHFFFAOYSA-N 0 3 328.412 2.996 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005494 478609362 /nfs/dbraw/zinc/60/93/62/478609362.db2.gz QGLFQVXCVZRYOH-SJKOYZFVSA-N 0 3 326.396 2.878 10 10 EFCEHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528286122 478706500 /nfs/dbraw/zinc/70/65/00/478706500.db2.gz FPUBTWNLOOHMIE-DZGCQCFKSA-N 0 3 347.459 2.778 10 10 EFCEHN CC(=O)c1cc(F)cc(CN2CCC(Cc3nccn3C)CC2)c1O ZINC000175650841 527209387 /nfs/dbraw/zinc/20/93/87/527209387.db2.gz CJQKYGQQZOMBRX-UHFFFAOYSA-N 0 3 345.418 2.922 10 10 EFCEHN CC(=O)c1cc(F)cc(C[NH+]2CCC(Cc3nccn3C)CC2)c1[O-] ZINC000175650841 527209395 /nfs/dbraw/zinc/20/93/95/527209395.db2.gz CJQKYGQQZOMBRX-UHFFFAOYSA-N 0 3 345.418 2.922 10 10 EFCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000175812162 527209690 /nfs/dbraw/zinc/20/96/90/527209690.db2.gz VOZPMBUXTXDMIQ-MRXNPFEDSA-N 0 3 331.391 2.903 10 10 EFCEHN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000175812162 527209698 /nfs/dbraw/zinc/20/96/98/527209698.db2.gz VOZPMBUXTXDMIQ-MRXNPFEDSA-N 0 3 331.391 2.903 10 10 EFCEHN CC[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413256 535809096 /nfs/dbraw/zinc/80/90/96/535809096.db2.gz QQKJATIQNAQSLH-MOPGFXCFSA-N 0 3 345.487 2.573 10 10 EFCEHN COc1cc(C)cc(CN2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000754726999 575478273 /nfs/dbraw/zinc/47/82/73/575478273.db2.gz ZTLXYOGHGDNHNU-INIZCTEOSA-N 0 3 332.444 2.686 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000756731267 575782034 /nfs/dbraw/zinc/78/20/34/575782034.db2.gz FXQVXNRABVEEQR-ZDFLXESQSA-N 0 3 328.456 2.931 10 10 EFCEHN Cc1ccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c([O-])c1C ZINC000756780382 575786209 /nfs/dbraw/zinc/78/62/09/575786209.db2.gz SRIGETOMVJWVNP-CQSZACIVSA-N 0 3 325.474 2.875 10 10 EFCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](C)CS(C)(=O)=O ZINC000758142169 575861143 /nfs/dbraw/zinc/86/11/43/575861143.db2.gz JQZWHHXMQIOUCU-HNNXBMFYSA-N 0 3 326.506 2.644 10 10 EFCEHN COc1cccc(N2C[C@@H](NCc3ccc(OC)c(C)c3)CC2=O)c1 ZINC000725853357 577251193 /nfs/dbraw/zinc/25/11/93/577251193.db2.gz POCXPAOGFPCCKN-INIZCTEOSA-N 0 3 340.423 2.907 10 10 EFCEHN COc1cccc([O-])c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000768202470 577260702 /nfs/dbraw/zinc/26/07/02/577260702.db2.gz ZSCOJANXTBZQJV-UHFFFAOYSA-N 0 3 338.411 2.823 10 10 EFCEHN COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])cc1C ZINC000768448731 577274811 /nfs/dbraw/zinc/27/48/11/577274811.db2.gz WHTNGYSEWPEJMY-HNNXBMFYSA-N 0 3 332.444 2.544 10 10 EFCEHN COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])cc1C ZINC000768448731 577274813 /nfs/dbraw/zinc/27/48/13/577274813.db2.gz WHTNGYSEWPEJMY-HNNXBMFYSA-N 0 3 332.444 2.544 10 10 EFCEHN COc1ccccc1CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452124 577275007 /nfs/dbraw/zinc/27/50/07/577275007.db2.gz OWZOOBMCNQTHHP-KRWDZBQOSA-N 0 3 329.396 2.501 10 10 EFCEHN COc1ccccc1CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768452124 577275009 /nfs/dbraw/zinc/27/50/09/577275009.db2.gz OWZOOBMCNQTHHP-KRWDZBQOSA-N 0 3 329.396 2.501 10 10 EFCEHN O=C(/C=C\C1CC1)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000769123085 577336985 /nfs/dbraw/zinc/33/69/85/577336985.db2.gz VTWSUYOZJPXKRU-YFHOEESVSA-N 0 3 339.483 2.801 10 10 EFCEHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000769403522 577359904 /nfs/dbraw/zinc/35/99/04/577359904.db2.gz DCEATCBQLKZNNK-MRXNPFEDSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000769403522 577359905 /nfs/dbraw/zinc/35/99/05/577359905.db2.gz DCEATCBQLKZNNK-MRXNPFEDSA-N 0 3 332.444 2.625 10 10 EFCEHN CCN(Cc1ccccc1)c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769563488 577372863 /nfs/dbraw/zinc/37/28/63/577372863.db2.gz KJAAIJQSMBDTHO-OYRHEFFESA-N 0 3 340.467 2.641 10 10 EFCEHN CCN(C)c1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000773733684 581459287 /nfs/dbraw/zinc/45/92/87/581459287.db2.gz KKDDWSAHJPEPAG-UHFFFAOYSA-N 0 3 329.488 2.977 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000850346602 1250440641 /nfs/dbraw/zinc/44/06/41/1250440641.db2.gz HTCITYXVVPMRPC-LLVKDONJSA-N 0 3 340.349 2.806 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3cccc4c3OCCO4)C2)cc1 ZINC000850345839 1250442689 /nfs/dbraw/zinc/44/26/89/1250442689.db2.gz MBXNRTTXROEHHC-INIZCTEOSA-N 0 3 340.423 2.835 10 10 EFCEHN C[C@@H](O)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419673 1250477781 /nfs/dbraw/zinc/47/77/81/1250477781.db2.gz GQCWSXCHJIDGFO-OXQOHEQNSA-N 0 3 326.440 2.735 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1[O-] ZINC000850516926 1250516691 /nfs/dbraw/zinc/51/66/91/1250516691.db2.gz ZOPLCIYIAHPTQC-VHSXEESVSA-N 0 3 344.249 2.975 10 10 EFCEHN CCS(=O)(=O)C1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850558414 1250536208 /nfs/dbraw/zinc/53/62/08/1250536208.db2.gz SALZFMRWXLRKLU-JQWIXIFHSA-N 0 3 327.421 2.637 10 10 EFCEHN C[C@H](NCc1c2c(nn1C)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000921590278 1257516283 /nfs/dbraw/zinc/51/62/83/1257516283.db2.gz DEUATHJIEUYGGI-HNNXBMFYSA-N 0 3 340.471 2.596 10 10 EFCEHN CN(C)c1cc(F)c(CNC[C@@H]2CCC3(CCOCC3)O2)cc1F ZINC000922813580 1266917084 /nfs/dbraw/zinc/91/70/84/1266917084.db2.gz WIPRDMSWDBPJRP-AWEZNQCLSA-N 0 3 340.414 2.849 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCO[C@H](C)C2)c1[O-] ZINC000738161915 1268381805 /nfs/dbraw/zinc/38/18/05/1268381805.db2.gz NVFZOVZMQAMBMQ-CYBMUJFWSA-N 0 3 329.396 2.943 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCCO[C@H](C)C2)c1[O-] ZINC000738161915 1268381815 /nfs/dbraw/zinc/38/18/15/1268381815.db2.gz NVFZOVZMQAMBMQ-CYBMUJFWSA-N 0 3 329.396 2.943 10 10 EFCEHN CN(C)Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000741278771 1269439569 /nfs/dbraw/zinc/43/95/69/1269439569.db2.gz NEAVGQAYCYCFER-UHFFFAOYSA-N 0 3 339.439 2.837 10 10 EFCEHN COc1cccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000825294370 1278495161 /nfs/dbraw/zinc/49/51/61/1278495161.db2.gz PCPCCTSDVIOXAF-UHFFFAOYSA-N 0 3 332.366 2.859 10 10 EFCEHN COc1cccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000825294370 1278495167 /nfs/dbraw/zinc/49/51/67/1278495167.db2.gz PCPCCTSDVIOXAF-UHFFFAOYSA-N 0 3 332.366 2.859 10 10 EFCEHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1F ZINC000742392853 1270019040 /nfs/dbraw/zinc/01/90/40/1270019040.db2.gz TUQWQBOSYBBDFQ-SIIHOXLZSA-N 0 3 333.451 2.771 10 10 EFCEHN O=S1(=O)CC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000786824093 1275554628 /nfs/dbraw/zinc/55/46/28/1275554628.db2.gz HWGKTCCFWMGXMK-UHFFFAOYSA-N 0 3 331.437 2.584 10 10 EFCEHN CCN(Cc1ccc(N(C)C)cc1)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000787769202 1275902083 /nfs/dbraw/zinc/90/20/83/1275902083.db2.gz BOOWMLONDHBCHY-LSDHHAIUSA-N 0 3 326.387 2.629 10 10 EFCEHN C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110832 1276465648 /nfs/dbraw/zinc/46/56/48/1276465648.db2.gz AXJKBTJFTVDRTR-YJBOKZPZSA-N 0 3 345.487 2.573 10 10 EFCEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361515 1276519518 /nfs/dbraw/zinc/51/95/18/1276519518.db2.gz KDPYXZYYNVJABV-CJNGLKHVSA-N 0 3 347.434 2.614 10 10 EFCEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362596 1276520236 /nfs/dbraw/zinc/52/02/36/1276520236.db2.gz YBAKHDBKQZUGFI-CRAIPNDOSA-N 0 3 343.471 2.865 10 10 EFCEHN CCOc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000789866469 1277062511 /nfs/dbraw/zinc/06/25/11/1277062511.db2.gz PTEONLJVPWGVRO-VOTSOKGWSA-N 0 3 336.432 2.961 10 10 EFCEHN FC(F)Oc1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000790636537 1277691329 /nfs/dbraw/zinc/69/13/29/1277691329.db2.gz QDUVQFUZURKZGJ-UHFFFAOYSA-N 0 3 349.381 2.809 10 10 EFCEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790949 1279155211 /nfs/dbraw/zinc/15/52/11/1279155211.db2.gz VMBMIWVVBRUFOD-YPMHNXCESA-N 0 3 343.393 2.857 10 10 EFCEHN CNC(=O)[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000793021947 1279346514 /nfs/dbraw/zinc/34/65/14/1279346514.db2.gz RMOJURDUYLCSQE-AWEZNQCLSA-N 0 3 331.382 2.632 10 10 EFCEHN O=[N+]([O-])c1cc(CNCc2ncccc2O)ccc1N1CCCCC1 ZINC000793257852 1279481886 /nfs/dbraw/zinc/48/18/86/1279481886.db2.gz VUUFPXAIMKQNOP-UHFFFAOYSA-N 0 3 342.399 2.976 10 10 EFCEHN COC(=O)CC1(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000846028236 1279989943 /nfs/dbraw/zinc/98/99/43/1279989943.db2.gz AQPZQZBXPDFUKG-UHFFFAOYSA-N 0 3 347.415 2.770 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000846194045 1280066225 /nfs/dbraw/zinc/06/62/25/1280066225.db2.gz QWGSJAXCZGIFRP-XHDPSFHLSA-N 0 3 344.249 2.655 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000846194040 1280066559 /nfs/dbraw/zinc/06/65/59/1280066559.db2.gz QWGSJAXCZGIFRP-ABAIWWIYSA-N 0 3 344.249 2.655 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001175428496 1287425106 /nfs/dbraw/zinc/42/51/06/1287425106.db2.gz WWLBTSJUJXAHRW-WDEREUQCSA-N 0 3 340.383 2.652 10 10 EFCEHN C/C(=C/c1cccnc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000846923431 1280620206 /nfs/dbraw/zinc/62/02/06/1280620206.db2.gz RDPZXKSTDHFDQQ-JBXOJTMHSA-N 0 3 337.423 2.841 10 10 EFCEHN COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000808742311 1281892150 /nfs/dbraw/zinc/89/21/50/1281892150.db2.gz OQZABXWCILWWIN-MGPUTAFESA-N 0 3 343.423 2.879 10 10 EFCEHN COC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000808742311 1281892157 /nfs/dbraw/zinc/89/21/57/1281892157.db2.gz OQZABXWCILWWIN-MGPUTAFESA-N 0 3 343.423 2.879 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000809965738 1282654120 /nfs/dbraw/zinc/65/41/20/1282654120.db2.gz LUKFWICJTMKJAC-LJQANCHMSA-N 0 3 335.467 2.924 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000816667884 1288249029 /nfs/dbraw/zinc/24/90/29/1288249029.db2.gz YRUKGWAQUPRHRL-DLBZAZTESA-N 0 3 325.836 2.764 10 10 EFCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000816955334 1288340088 /nfs/dbraw/zinc/34/00/88/1288340088.db2.gz ZKXRJGRCFZQXLK-HOCLYGCPSA-N 0 3 329.469 2.932 10 10 EFCEHN Cc1cc(CC(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1 ZINC000823665351 1289406296 /nfs/dbraw/zinc/40/62/96/1289406296.db2.gz YZAILQRPRORJOK-SFHVURJKSA-N 0 3 337.467 2.990 10 10 EFCEHN O=C1OCCN1C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824450941 1289654802 /nfs/dbraw/zinc/65/48/02/1289654802.db2.gz CVKREZRWLDCVEX-AWEZNQCLSA-N 0 3 326.396 2.820 10 10 EFCEHN O=C1OCCN1C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824450941 1289654812 /nfs/dbraw/zinc/65/48/12/1289654812.db2.gz CVKREZRWLDCVEX-AWEZNQCLSA-N 0 3 326.396 2.820 10 10 EFCEHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000795693923 1291212246 /nfs/dbraw/zinc/21/22/46/1291212246.db2.gz RIHWXUCSLPZAPL-INIZCTEOSA-N 0 3 343.345 2.808 10 10 EFCEHN CNC(=O)C[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849526 1291553788 /nfs/dbraw/zinc/55/37/88/1291553788.db2.gz KXFDUFVEBSTQCL-CXAGYDPISA-N 0 3 328.412 2.929 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2CCCOCC2)cc1C ZINC001273991185 1294058824 /nfs/dbraw/zinc/05/88/24/1294058824.db2.gz ORLOJKYDLXKAIW-JXCVUKRWSA-N 0 3 346.471 2.582 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c([O-])c1 ZINC000886340512 1294874289 /nfs/dbraw/zinc/87/42/89/1294874289.db2.gz HXXOYLVPKKJBGU-AGGDQXJMSA-N 0 3 335.444 2.853 10 10 EFCEHN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000775835115 1294965659 /nfs/dbraw/zinc/96/56/59/1294965659.db2.gz FKIAAYPVSOVLHB-IPELMVKDSA-N 0 3 345.487 2.573 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013180 1295661071 /nfs/dbraw/zinc/66/10/71/1295661071.db2.gz LEFCRWYLUVRAGM-CABCVRRESA-N 0 3 341.835 2.897 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013180 1295661082 /nfs/dbraw/zinc/66/10/82/1295661082.db2.gz LEFCRWYLUVRAGM-CABCVRRESA-N 0 3 341.835 2.897 10 10 EFCEHN CN1CCCc2cc(CNC(=O)NC[C@H]3CCN3C(C)(C)C)ccc21 ZINC000852411907 1299694098 /nfs/dbraw/zinc/69/40/98/1299694098.db2.gz IVKJSMYCBBPDIC-QGZVFWFLSA-N 0 3 344.503 2.741 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOCCF)c1[O-] ZINC000853237168 1300061259 /nfs/dbraw/zinc/06/12/59/1300061259.db2.gz RGPPCCXZLKIEKN-SECBINFHSA-N 0 3 336.201 2.800 10 10 EFCEHN CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCN(C)C1 ZINC000854176199 1300462205 /nfs/dbraw/zinc/46/22/05/1300462205.db2.gz BZOIDEWWQQVKAW-VQIMIIECSA-N 0 3 346.519 2.728 10 10 EFCEHN C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(Br)c(F)cc1[O-] ZINC000854227076 1300478642 /nfs/dbraw/zinc/47/86/42/1300478642.db2.gz LGJDNPXJVJEWNX-NQTXRORDSA-N 0 3 329.213 2.696 10 10 EFCEHN [O-]c1ccc(F)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000862475537 1302394506 /nfs/dbraw/zinc/39/45/06/1302394506.db2.gz NXSAQXVQFLIHCQ-UHFFFAOYSA-N 0 3 333.350 2.578 10 10 EFCEHN COc1ccc(N2CCC(NCc3cn(C4CC4)cn3)CC2)cc1 ZINC000865444147 1303259352 /nfs/dbraw/zinc/25/93/52/1303259352.db2.gz JYXROJIVJFVDIR-UHFFFAOYSA-N 0 3 326.444 2.985 10 10 EFCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000866413490 1303629018 /nfs/dbraw/zinc/62/90/18/1303629018.db2.gz RXQAABUZIYSDBB-JSGCOSHPSA-N 0 3 326.868 2.850 10 10 EFCEHN C[C@H]1C[C@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000866432894 1303637761 /nfs/dbraw/zinc/63/77/61/1303637761.db2.gz FGFXILKDFGCOGE-FZMZJTMJSA-N 0 3 339.374 2.845 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000866489497 1303660185 /nfs/dbraw/zinc/66/01/85/1303660185.db2.gz PMUVBEBDGCRBOL-UWJYBYFXSA-N 0 3 330.222 2.727 10 10 EFCEHN CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000866576893 1303694746 /nfs/dbraw/zinc/69/47/46/1303694746.db2.gz BDSDAQSZRNTSMR-CQSZACIVSA-N 0 3 348.468 2.502 10 10 EFCEHN C[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1O ZINC000868170281 1304168568 /nfs/dbraw/zinc/16/85/68/1304168568.db2.gz JENCIPDYDXGQIT-FZKQIMNGSA-N 0 3 341.411 2.936 10 10 EFCEHN Fc1cc(CN2CC(C3CCOCC3)C2)ccc1N1CCOCC1 ZINC000800532472 1308065310 /nfs/dbraw/zinc/06/53/10/1308065310.db2.gz XDASCHMFFUZPEF-UHFFFAOYSA-N 0 3 334.435 2.521 10 10 EFCEHN Oc1cc2c(cc1CN1CC[C@](F)(c3ccccc3)C1)[C@@H](O)CO2 ZINC000800858610 1308559753 /nfs/dbraw/zinc/55/97/53/1308559753.db2.gz BNQUYNLYTMLTEF-PKOBYXMFSA-N 0 3 329.371 2.889 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@@H]3OC)CC2)cc1C ZINC001277102058 1311618089 /nfs/dbraw/zinc/61/80/89/1311618089.db2.gz PPIXCVYAOUTPLN-AEFFLSMTSA-N 0 3 346.471 2.557 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCC[C@H]3OC)CC2)cc1C ZINC001277102060 1311618323 /nfs/dbraw/zinc/61/83/23/1311618323.db2.gz PPIXCVYAOUTPLN-FUHWJXTLSA-N 0 3 346.471 2.557 10 10 EFCEHN CCCn1cc([C@H](C)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026988 1312292185 /nfs/dbraw/zinc/29/21/85/1312292185.db2.gz YCROHFAZMLFXLX-HOTGVXAUSA-N 0 3 343.475 2.874 10 10 EFCEHN C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000903188992 1312444638 /nfs/dbraw/zinc/44/46/38/1312444638.db2.gz LYNMBHFWEYQXFT-ZDUSSCGKSA-N 0 3 340.489 2.683 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)c1[O-] ZINC000903258930 1312513825 /nfs/dbraw/zinc/51/38/25/1312513825.db2.gz DOSOUJFBKVETQQ-BMQDGWLCSA-N 0 3 341.249 2.768 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c1[O-] ZINC000903300145 1312551329 /nfs/dbraw/zinc/55/13/29/1312551329.db2.gz HDKYLPKSMGTRCT-OPQQBVKSSA-N 0 3 343.265 2.907 10 10 EFCEHN Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000723706312 1315804591 /nfs/dbraw/zinc/80/45/91/1315804591.db2.gz YRRZLGKRNAYSHN-OKILXGFUSA-N 0 3 325.250 2.742 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000382721441 1316556495 /nfs/dbraw/zinc/55/64/95/1316556495.db2.gz OQTMELMYPJRFTL-TZMCWYRMSA-N 0 3 336.432 2.975 10 10 EFCEHN C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1O ZINC001308010790 1324789290 /nfs/dbraw/zinc/78/92/90/1324789290.db2.gz ZQYYNMHGVCZXAI-JTQLQIEISA-N 0 3 340.832 2.544 10 10 EFCEHN Nc1ccnc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000903953316 1324857533 /nfs/dbraw/zinc/85/75/33/1324857533.db2.gz CVVXVRWDPSRZJN-UHFFFAOYSA-N 0 3 341.415 2.852 10 10 EFCEHN CC[C@@H]1CCO[C@@H]1C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001321095137 1329342379 /nfs/dbraw/zinc/34/23/79/1329342379.db2.gz ALLVDFZOPADHOZ-ZHHRLCKPSA-N 0 3 346.471 2.581 10 10 EFCEHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001329032842 1330659627 /nfs/dbraw/zinc/65/96/27/1330659627.db2.gz SXSPYUCDBBNLEQ-MRXNPFEDSA-N 0 3 327.428 2.821 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C)CC2)c1[O-] ZINC000848522540 1334772263 /nfs/dbraw/zinc/77/22/63/1334772263.db2.gz WKNVPSLZMARPTM-JTQLQIEISA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCC2)c1[O-] ZINC000848528199 1334775715 /nfs/dbraw/zinc/77/57/15/1334775715.db2.gz KHMYEESTQRYATQ-VIFPVBQESA-N 0 3 330.222 2.729 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000848528442 1334776084 /nfs/dbraw/zinc/77/60/84/1334776084.db2.gz MCIWJAOJNSFHFN-MWLCHTKSSA-N 0 3 330.222 2.993 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000848530588 1334777505 /nfs/dbraw/zinc/77/75/05/1334777505.db2.gz CCJYUOHNYOQKOD-JOYOIKCWSA-N 0 3 332.238 2.831 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CC2)c1[O-] ZINC000848531878 1334777781 /nfs/dbraw/zinc/77/77/81/1334777781.db2.gz VJEKWQZYQYIZQZ-VIFPVBQESA-N 0 3 330.222 2.586 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H](C)O)c1[O-] ZINC000848549128 1334788629 /nfs/dbraw/zinc/78/86/29/1334788629.db2.gz KWSJBJZNJUKGOL-UWVGGRQHSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H](C)O)c1[O-] ZINC000848549129 1334789112 /nfs/dbraw/zinc/78/91/12/1334789112.db2.gz KWSJBJZNJUKGOL-VHSXEESVSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)NCc2cncn2C)c1O ZINC000848550545 1334790600 /nfs/dbraw/zinc/79/06/00/1334790600.db2.gz QAHOHEPUOAGERI-VIFPVBQESA-N 0 3 340.221 2.748 10 10 EFCEHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])[C@@H](C)O ZINC000848553893 1334792228 /nfs/dbraw/zinc/79/22/28/1334792228.db2.gz OHFWGRIRNFZDLE-SBMIAAHKSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CCF)c1[O-] ZINC000848555352 1334792561 /nfs/dbraw/zinc/79/25/61/1334792561.db2.gz AKOQOTRDPBANGC-WPRPVWTQSA-N 0 3 336.201 2.534 10 10 EFCEHN O=C(NCc1ccc(Nc2ccncc2)cc1)c1cccc(O)c1O ZINC001470598219 1397101315 /nfs/dbraw/zinc/10/13/15/1397101315.db2.gz CDCJPDRCHXVKNQ-UHFFFAOYSA-N 0 3 335.363 2.588 10 10 EFCEHN CC[C@@H](CO)N1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001473199513 1397289326 /nfs/dbraw/zinc/28/93/26/1397289326.db2.gz MQIZTHDKQGBQEV-FQEVSTJZSA-N 0 3 345.531 2.874 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ncccc3C)CC2)cc1C ZINC001499194683 1402516370 /nfs/dbraw/zinc/51/63/70/1402516370.db2.gz HHLLQZKOQVIRLF-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001560075215 1415262476 /nfs/dbraw/zinc/26/24/76/1415262476.db2.gz WWLBTSJUJXAHRW-GHMZBOCLSA-N 0 3 340.383 2.652 10 10 EFCEHN CC[C@@H](F)CNC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322600 1416476675 /nfs/dbraw/zinc/47/66/75/1416476675.db2.gz OXUPUXZBYDIGHG-DGCLKSJQSA-N 0 3 337.399 2.647 10 10 EFCEHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC001687080876 1416841220 /nfs/dbraw/zinc/84/12/20/1416841220.db2.gz LPSMFWDVUUBNSG-QZTJIDSGSA-N 0 3 332.492 2.843 10 10 EFCEHN CCc1ncoc1C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001716341352 1418785799 /nfs/dbraw/zinc/78/57/99/1418785799.db2.gz IEQOQPGGVFQLOJ-AATRIKPKSA-N 0 3 343.427 2.630 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3c(C)noc3C)CC2)cc1C ZINC001716675699 1418955044 /nfs/dbraw/zinc/95/50/44/1418955044.db2.gz RTBAEVBZROUDMJ-UHFFFAOYSA-N 0 3 343.427 2.661 10 10 EFCEHN C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580876 1425666113 /nfs/dbraw/zinc/66/61/13/1425666113.db2.gz ADKSOIOVYHVDBR-IWIXKGEHSA-N 0 3 349.822 2.794 10 10 EFCEHN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848528303 715268947 /nfs/dbraw/zinc/26/89/47/715268947.db2.gz KSQXWQROTCTKAL-XPTSAGLGSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1ccc(N2CCN(CCCCn3ccnc3C)CC2)cc1 ZINC000161275240 715512109 /nfs/dbraw/zinc/51/21/09/715512109.db2.gz HBIPPPYXIMRUOE-UHFFFAOYSA-N 0 3 328.460 2.803 10 10 EFCEHN COC(=O)c1c(CNC[C@H]2CC[C@H](C)O2)c2cc(F)ccc2n1C ZINC000894969618 723038721 /nfs/dbraw/zinc/03/87/21/723038721.db2.gz JDSJGQHLGDJUDW-WCQYABFASA-N 0 3 334.391 2.761 10 10 EFCEHN CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000052529411 716269553 /nfs/dbraw/zinc/26/95/53/716269553.db2.gz JIEVFUMWBICAKW-KRWDZBQOSA-N 0 3 330.476 2.570 10 10 EFCEHN Oc1ccccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000179561028 717781075 /nfs/dbraw/zinc/78/10/75/717781075.db2.gz VLPJWRAMTZXCLL-UHFFFAOYSA-N 0 3 348.244 2.872 10 10 EFCEHN CN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000894003549 720218173 /nfs/dbraw/zinc/21/81/73/720218173.db2.gz NJAHDBSATVATNU-ZDUSSCGKSA-N 0 3 343.240 2.962 10 10 EFCEHN CN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000894003549 720218177 /nfs/dbraw/zinc/21/81/77/720218177.db2.gz NJAHDBSATVATNU-ZDUSSCGKSA-N 0 3 343.240 2.962 10 10 EFCEHN COC(=O)c1c(CN2CCC[C@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894034324 720234836 /nfs/dbraw/zinc/23/48/36/720234836.db2.gz REDGCFCTIQSHGQ-JSGCOSHPSA-N 0 3 348.418 2.839 10 10 EFCEHN COC(=O)c1c(CNC[C@@H](OC)C2CC2)c2cc(F)ccc2n1C ZINC000894861272 722911792 /nfs/dbraw/zinc/91/17/92/722911792.db2.gz DDGSJIALIADTAB-MRXNPFEDSA-N 0 3 334.391 2.619 10 10 EFCEHN COC(=O)c1cc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000895229135 723891265 /nfs/dbraw/zinc/89/12/65/723891265.db2.gz SCVXQUOKHYRWIE-AWEZNQCLSA-N 0 3 346.452 2.912 10 10 EFCEHN Cn1ccnc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727645123 724283623 /nfs/dbraw/zinc/28/36/23/724283623.db2.gz YYJKVXQDDINZOD-UHFFFAOYSA-N 0 3 336.386 2.780 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000895818513 724331252 /nfs/dbraw/zinc/33/12/52/724331252.db2.gz DJAIORHDDFKEFP-HYSWKAIVSA-N 0 3 341.835 2.870 10 10 EFCEHN COC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000895850504 724350651 /nfs/dbraw/zinc/35/06/51/724350651.db2.gz LXPHALILWGPDED-KRWDZBQOSA-N 0 3 326.396 2.990 10 10 EFCEHN COC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000895850504 724350654 /nfs/dbraw/zinc/35/06/54/724350654.db2.gz LXPHALILWGPDED-KRWDZBQOSA-N 0 3 326.396 2.990 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1F ZINC000731403230 726858533 /nfs/dbraw/zinc/85/85/33/726858533.db2.gz HKSVAUOJCQIILJ-OAHLLOKOSA-N 0 3 336.455 2.565 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000732450257 727083813 /nfs/dbraw/zinc/08/38/13/727083813.db2.gz PXTLOEAVOILBPX-LJQANCHMSA-N 0 3 344.503 2.911 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C[C@@H]3CCCCO3)CC2)cc1C ZINC001569394709 1085176119 /nfs/dbraw/zinc/17/61/19/1085176119.db2.gz PHEFGQKLXXKTFT-KRWDZBQOSA-N 0 3 346.471 2.701 10 10 EFCEHN COc1ccc(N2CC[C@@H](CNC(=O)C3(N(C)C)CCCC3)C2)cc1 ZINC001570565412 1086367903 /nfs/dbraw/zinc/36/79/03/1086367903.db2.gz NQKMVXQCYUGFDK-INIZCTEOSA-N 0 3 345.487 2.512 10 10 EFCEHN Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c([O-])c1O ZINC001587534536 1092819350 /nfs/dbraw/zinc/81/93/50/1092819350.db2.gz QGHPCOMSSWIZPZ-OAHLLOKOSA-N 0 3 332.444 2.933 10 10 EFCEHN Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)c([O-])c1O ZINC001587534536 1092819358 /nfs/dbraw/zinc/81/93/58/1092819358.db2.gz QGHPCOMSSWIZPZ-OAHLLOKOSA-N 0 3 332.444 2.933 10 10 EFCEHN Cc1cc(CC(=O)N2CCNC(C)(C)C2)c(C)n1-c1ccccc1 ZINC001587746631 1092847126 /nfs/dbraw/zinc/84/71/26/1092847126.db2.gz AONCUUAPXQXUIJ-UHFFFAOYSA-N 0 3 325.456 2.847 10 10 EFCEHN COCCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 ZINC000782963702 1094591683 /nfs/dbraw/zinc/59/16/83/1094591683.db2.gz SNMUEDYRPQGWDF-OAHLLOKOSA-N 0 3 337.460 2.936 10 10 EFCEHN COCC1(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)CCC1 ZINC001269450991 1098147762 /nfs/dbraw/zinc/14/77/62/1098147762.db2.gz IXCKOWNMIRGYPN-UHFFFAOYSA-N 0 3 346.471 2.559 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@]34C[C@H]3CCC4)CC2)cc1C ZINC001269455342 1098150057 /nfs/dbraw/zinc/15/00/57/1098150057.db2.gz HZXOPKHMOHBUPP-OXQOHEQNSA-N 0 3 328.456 2.932 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccnc(C)c3)CC2)cc1C ZINC001269509313 1098203378 /nfs/dbraw/zinc/20/33/78/1098203378.db2.gz YTWNBGCVJQXOAI-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(O)c2[O-])CC1 ZINC001630168477 1100281376 /nfs/dbraw/zinc/28/13/76/1100281376.db2.gz VPRBGUHDKZRSPH-UHFFFAOYSA-N 0 3 340.423 2.834 10 10 EFCEHN CC[C@H](C)CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635635689 1100671105 /nfs/dbraw/zinc/67/11/05/1100671105.db2.gz RKBVPTKTBPEXEV-WMLDXEAASA-N 0 3 336.480 2.632 10 10 EFCEHN CC[C@H](C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635635690 1100672215 /nfs/dbraw/zinc/67/22/15/1100672215.db2.gz RKBVPTKTBPEXEV-YOEHRIQHSA-N 0 3 336.480 2.632 10 10 EFCEHN c1[nH]nc(-c2cccnc2)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000067222147 1101502390 /nfs/dbraw/zinc/50/23/90/1101502390.db2.gz TZUPPDCFJOPOPB-UHFFFAOYSA-N 0 3 349.438 2.598 10 10 EFCEHN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848530716 1101526819 /nfs/dbraw/zinc/52/68/19/1101526819.db2.gz JRRBEKKWTHTZDJ-MWLCHTKSSA-N 0 3 332.238 2.975 10 10 EFCEHN CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848530714 1101527127 /nfs/dbraw/zinc/52/71/27/1101527127.db2.gz JRRBEKKWTHTZDJ-KOLCDFICSA-N 0 3 332.238 2.975 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001655349654 1101812702 /nfs/dbraw/zinc/81/27/02/1101812702.db2.gz OAVUYAJZAXEUGZ-NWDGAFQWSA-N 0 3 329.356 2.978 10 10 EFCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001655349655 1101813735 /nfs/dbraw/zinc/81/37/35/1101813735.db2.gz OAVUYAJZAXEUGZ-RYUDHWBXSA-N 0 3 329.356 2.978 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3nccs3)C1)[C@@H](O)CO2 ZINC000905732954 1103569328 /nfs/dbraw/zinc/56/93/28/1103569328.db2.gz CUXGOMPBVXWTHL-WBMJQRKESA-N 0 3 346.452 2.729 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cc3nccs3)C1)[C@@H](O)CO2 ZINC000905732954 1103569332 /nfs/dbraw/zinc/56/93/32/1103569332.db2.gz CUXGOMPBVXWTHL-WBMJQRKESA-N 0 3 346.452 2.729 10 10 EFCEHN CCc1ocnc1C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001482992596 1105494594 /nfs/dbraw/zinc/49/45/94/1105494594.db2.gz FQIIYFJCZHQGNM-WAYWQWQTSA-N 0 3 343.427 2.630 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccc(F)nc2)cc1C ZINC001482992775 1105495495 /nfs/dbraw/zinc/49/54/95/1105495495.db2.gz YUFRPBNSHQMPLF-ARJAWSKDSA-N 0 3 343.402 2.614 10 10 EFCEHN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCN(C)CC1 ZINC000897897210 1106136611 /nfs/dbraw/zinc/13/66/11/1106136611.db2.gz NRSFRLKIUALYNO-UHFFFAOYSA-N 0 3 334.441 2.869 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000925320942 1106382148 /nfs/dbraw/zinc/38/21/48/1106382148.db2.gz NJTMKDSYFBVJBE-CRAIPNDOSA-N 0 3 332.492 2.767 10 10 EFCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925328817 1107415622 /nfs/dbraw/zinc/41/56/22/1107415622.db2.gz LEMFFWNAJOUYBN-YJBOKZPZSA-N 0 3 332.492 2.765 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccc(C)o3)CC2)cc1C ZINC001483714983 1108199271 /nfs/dbraw/zinc/19/92/71/1108199271.db2.gz LWFMPQSLFANIGW-UHFFFAOYSA-N 0 3 328.412 2.957 10 10 EFCEHN CCn1cccc1C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001483098078 1108642284 /nfs/dbraw/zinc/64/22/84/1108642284.db2.gz UMGCDZHTGXGYKE-WAYWQWQTSA-N 0 3 341.455 2.901 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@]4(CCOC4)C3)c2c1 ZINC000184290285 1118992497 /nfs/dbraw/zinc/99/24/97/1118992497.db2.gz ADNZDTHHEKVAEG-LJQANCHMSA-N 0 3 329.396 2.545 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@]4(CCOC4)C3)c2c1 ZINC000184290285 1118992501 /nfs/dbraw/zinc/99/25/01/1118992501.db2.gz ADNZDTHHEKVAEG-LJQANCHMSA-N 0 3 329.396 2.545 10 10 EFCEHN COc1ccc2ccc(O)c(CN3CCO[C@]4(CCOC4)C3)c2c1 ZINC000184290285 1118992505 /nfs/dbraw/zinc/99/25/05/1118992505.db2.gz ADNZDTHHEKVAEG-LJQANCHMSA-N 0 3 329.396 2.545 10 10 EFCEHN C[C@H]([C@H](C)NCc1ccc(N2CCOCC2)c(F)c1)n1cccn1 ZINC000069372336 215390972 /nfs/dbraw/zinc/39/09/72/215390972.db2.gz QMZULVRIGSMLCD-LSDHHAIUSA-N 0 3 332.423 2.598 10 10 EFCEHN CN(C)c1ccc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000191760603 240006559 /nfs/dbraw/zinc/00/65/59/240006559.db2.gz OUOHTZAJRQWTSH-IBGZPJMESA-N 0 3 341.430 2.782 10 10 EFCEHN CN(C)c1noc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000191908964 240009894 /nfs/dbraw/zinc/00/98/94/240009894.db2.gz ZGLHEHSWRXOABQ-UHFFFAOYSA-N 0 3 329.448 2.581 10 10 EFCEHN Cc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c(C)n1-c1ccccn1 ZINC000247527500 240281541 /nfs/dbraw/zinc/28/15/41/240281541.db2.gz XESLRRNNUDETRG-NVXWUHKLSA-N 0 3 338.455 2.798 10 10 EFCEHN C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000248530533 240291003 /nfs/dbraw/zinc/29/10/03/240291003.db2.gz XMOOGNAOKSDDGE-JCGIZDLHSA-N 0 3 344.430 2.817 10 10 EFCEHN [O-]c1ccccc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000368009288 242398860 /nfs/dbraw/zinc/39/88/60/242398860.db2.gz WIBSSPLCSHDODQ-INIZCTEOSA-N 0 3 338.386 2.894 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N2CCCC2)cc1 ZINC000005098060 210390473 /nfs/dbraw/zinc/39/04/73/210390473.db2.gz FXAAXYFTTPOBPH-QGZVFWFLSA-N 0 3 327.428 2.913 10 10 EFCEHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000328627622 258031864 /nfs/dbraw/zinc/03/18/64/258031864.db2.gz GITXDAKTNQJSAZ-WMZOPIPTSA-N 0 3 326.444 2.515 10 10 EFCEHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000173993466 533584680 /nfs/dbraw/zinc/58/46/80/533584680.db2.gz VHZHRUGQUSBWFT-APWZRJJASA-N 0 3 344.503 2.911 10 10 EFCEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181317529 278240899 /nfs/dbraw/zinc/24/08/99/278240899.db2.gz GFHIFEFSUJYKCS-GDXASINISA-N 0 3 340.423 2.748 10 10 EFCEHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000190426979 473270213 /nfs/dbraw/zinc/27/02/13/473270213.db2.gz LHNWMGDYUDZLFZ-HKUYNNGSSA-N 0 3 340.471 2.905 10 10 EFCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991896 473294900 /nfs/dbraw/zinc/29/49/00/473294900.db2.gz SWIBOQUYTRMZNW-APWZRJJASA-N 0 3 340.467 2.770 10 10 EFCEHN CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000190580881 473325728 /nfs/dbraw/zinc/32/57/28/473325728.db2.gz SSQUHEUXLYJJRF-UHFFFAOYSA-N 0 3 334.460 2.630 10 10 EFCEHN Cc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000113226190 473368605 /nfs/dbraw/zinc/36/86/05/473368605.db2.gz XESLRRNNUDETRG-DOTOQJQBSA-N 0 3 338.455 2.798 10 10 EFCEHN Cc1ccc([C@@H](Cc2ccc(O)c(O)c2)N2CCN(C)CC2)cc1 ZINC000033891113 471988291 /nfs/dbraw/zinc/98/82/91/471988291.db2.gz VKFHISXPCGHDLQ-GOSISDBHSA-N 0 3 326.440 2.937 10 10 EFCEHN c1cc(N2CCCCC2)ccc1CNC[C@H]1CN(C2CC2)CCO1 ZINC000072268814 472642349 /nfs/dbraw/zinc/64/23/49/472642349.db2.gz USXSAGFINZTBPT-FQEVSTJZSA-N 0 3 329.488 2.630 10 10 EFCEHN COc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1[O-] ZINC000120919820 472768600 /nfs/dbraw/zinc/76/86/00/472768600.db2.gz GWFGKTXJVLZTER-UHFFFAOYSA-N 0 3 338.411 2.823 10 10 EFCEHN CCOc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092662371 472957206 /nfs/dbraw/zinc/95/72/06/472957206.db2.gz CHEFZUKSGUHVKC-GOSISDBHSA-N 0 3 335.444 2.951 10 10 EFCEHN Cc1occc1C(=O)NC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000093010529 473025976 /nfs/dbraw/zinc/02/59/76/473025976.db2.gz WAYKZJHHJFLALA-UHFFFAOYSA-N 0 3 328.412 2.996 10 10 EFCEHN Cc1cc(NC(=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000123380225 473133980 /nfs/dbraw/zinc/13/39/80/473133980.db2.gz GLWDMJKSPHLPBX-UHFFFAOYSA-N 0 3 342.443 2.900 10 10 EFCEHN COc1cccc(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757673 473140783 /nfs/dbraw/zinc/14/07/83/473140783.db2.gz FMZOQZDOLZEMMB-AWEZNQCLSA-N 0 3 336.432 2.890 10 10 EFCEHN C[C@H]1CN(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258246 473520097 /nfs/dbraw/zinc/52/00/97/473520097.db2.gz HDGMVBBHRCDQJW-LBPRGKRZSA-N 0 3 342.842 2.870 10 10 EFCEHN C[C@H]1C[N@@H+](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258246 473520100 /nfs/dbraw/zinc/52/01/00/473520100.db2.gz HDGMVBBHRCDQJW-LBPRGKRZSA-N 0 3 342.842 2.870 10 10 EFCEHN C[C@H]1C[N@H+](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258246 473520104 /nfs/dbraw/zinc/52/01/04/473520104.db2.gz HDGMVBBHRCDQJW-LBPRGKRZSA-N 0 3 342.842 2.870 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996777 473567688 /nfs/dbraw/zinc/56/76/88/473567688.db2.gz QVEDYMTXGZTKNG-OLZOCXBDSA-N 0 3 330.432 2.781 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050912 473579788 /nfs/dbraw/zinc/57/97/88/473579788.db2.gz PBVWBTCKNQXWRT-KGLIPLIRSA-N 0 3 328.416 2.510 10 10 EFCEHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000186110039 473593643 /nfs/dbraw/zinc/59/36/43/473593643.db2.gz GUEPHLZWTXWGPB-XJKSGUPXSA-N 0 3 331.460 2.725 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c([O-])c1 ZINC000186194038 473612762 /nfs/dbraw/zinc/61/27/62/473612762.db2.gz NYJBKVOHPLOXTO-WDSOQIARSA-N 0 3 340.467 2.987 10 10 EFCEHN CCCn1cc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cn1 ZINC000179572304 473695645 /nfs/dbraw/zinc/69/56/45/473695645.db2.gz GMFGLOKTLFMUNK-UHFFFAOYSA-N 0 3 328.460 2.707 10 10 EFCEHN CCCn1cc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cn1 ZINC000179572304 473695650 /nfs/dbraw/zinc/69/56/50/473695650.db2.gz GMFGLOKTLFMUNK-UHFFFAOYSA-N 0 3 328.460 2.707 10 10 EFCEHN Cc1cc(Cl)cc(C[NH+]2CCC(CN3CCOCC3)CC2)c1[O-] ZINC000179685102 473708347 /nfs/dbraw/zinc/70/83/47/473708347.db2.gz YNLTWHCZGMBJBC-UHFFFAOYSA-N 0 3 338.879 2.898 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000187228518 473841242 /nfs/dbraw/zinc/84/12/42/473841242.db2.gz XFQAXBUCHCAXGC-JQWIXIFHSA-N 0 3 341.249 2.735 10 10 EFCEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493473 473891138 /nfs/dbraw/zinc/89/11/38/473891138.db2.gz CIGZJKBXTFCUFH-RDJZCZTQSA-N 0 3 335.467 2.797 10 10 EFCEHN Cc1ccc(O)c([C@H](C)NCc2cccc(N3CCOCC3)n2)c1 ZINC000274812369 473969531 /nfs/dbraw/zinc/96/95/31/473969531.db2.gz VOOADLPDTYWZIC-HNNXBMFYSA-N 0 3 327.428 2.783 10 10 EFCEHN COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000265198882 474170873 /nfs/dbraw/zinc/17/08/73/474170873.db2.gz JCDOTRPKNOMIDP-LOWQCSRCSA-N 0 3 347.415 2.559 10 10 EFCEHN COc1ccc(N2CCCN(C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000188848348 474216098 /nfs/dbraw/zinc/21/60/98/474216098.db2.gz LEPCDJXMJOESPE-CQSZACIVSA-N 0 3 332.366 2.521 10 10 EFCEHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189050476 474276618 /nfs/dbraw/zinc/27/66/18/474276618.db2.gz NFDZWFQFNQNICP-CXAGYDPISA-N 0 3 328.387 2.983 10 10 EFCEHN COc1ccc(O)c(CN2CCCN(Cc3csc(C)n3)CC2)c1 ZINC000183450466 474381632 /nfs/dbraw/zinc/38/16/32/474381632.db2.gz FLPIWQFLAFTAPN-UHFFFAOYSA-N 0 3 347.484 2.874 10 10 EFCEHN CCOCc1cc(CNC[C@@H](O)Cc2ccccc2)ccc1OC ZINC000290154548 474559094 /nfs/dbraw/zinc/55/90/94/474559094.db2.gz PISDHZZXHROTTK-IBGZPJMESA-N 0 3 329.440 2.925 10 10 EFCEHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1O ZINC000272707547 474623517 /nfs/dbraw/zinc/62/35/17/474623517.db2.gz CTTSYIIDJRZBHV-MRXNPFEDSA-N 0 3 340.423 2.753 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+]CCc1cccc(C(F)(F)F)n1)OCO2 ZINC000293029376 474773661 /nfs/dbraw/zinc/77/36/61/474773661.db2.gz RJECCPBBYIKHMG-UHFFFAOYSA-N 0 3 340.301 2.867 10 10 EFCEHN CCn1nccc1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278782520 474831975 /nfs/dbraw/zinc/83/19/75/474831975.db2.gz ZONXWBPVNWJURJ-SFHVURJKSA-N 0 3 329.444 2.832 10 10 EFCEHN CCn1nccc1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000278782520 474831984 /nfs/dbraw/zinc/83/19/84/474831984.db2.gz ZONXWBPVNWJURJ-SFHVURJKSA-N 0 3 329.444 2.832 10 10 EFCEHN CCN(CC)c1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1F ZINC000295133995 475105597 /nfs/dbraw/zinc/10/55/97/475105597.db2.gz OWZMDPMAXSPZOK-MOPGFXCFSA-N 0 3 335.467 2.577 10 10 EFCEHN CCn1nccc1CCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000374853056 476555658 /nfs/dbraw/zinc/55/56/58/476555658.db2.gz DWYBRNHIMBQWGO-UHFFFAOYSA-N 0 3 328.460 2.666 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378373435 476702268 /nfs/dbraw/zinc/70/22/68/476702268.db2.gz CVHNKINRLCDPEW-VQIMIIECSA-N 0 3 345.443 2.613 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378373435 476702273 /nfs/dbraw/zinc/70/22/73/476702273.db2.gz CVHNKINRLCDPEW-VQIMIIECSA-N 0 3 345.443 2.613 10 10 EFCEHN OC1CCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2F)CC1 ZINC000375788065 477005808 /nfs/dbraw/zinc/00/58/08/477005808.db2.gz QHGZRAVWXXCVLW-QGZVFWFLSA-N 0 3 344.434 2.677 10 10 EFCEHN OCC1CCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375792440 477010088 /nfs/dbraw/zinc/01/00/88/477010088.db2.gz QEBKXSHBNDXUGR-IBGZPJMESA-N 0 3 340.471 2.786 10 10 EFCEHN O=C1NCCC[C@@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367155313 477368393 /nfs/dbraw/zinc/36/83/93/477368393.db2.gz COPKDTPDERKQTQ-IBGZPJMESA-N 0 3 335.451 2.618 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c([O-])c1 ZINC000527804024 478527683 /nfs/dbraw/zinc/52/76/83/478527683.db2.gz ACTCOZJGNKADCN-KRWDZBQOSA-N 0 3 326.396 2.707 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005493 478609672 /nfs/dbraw/zinc/60/96/72/478609672.db2.gz QGLFQVXCVZRYOH-SJCJKPOMSA-N 0 3 326.396 2.878 10 10 EFCEHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000529642101 479233999 /nfs/dbraw/zinc/23/39/99/479233999.db2.gz DZSFQXUOLKJSGU-QGZVFWFLSA-N 0 3 342.439 2.774 10 10 EFCEHN C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000186194181 533887232 /nfs/dbraw/zinc/88/72/32/533887232.db2.gz XMOOGNAOKSDDGE-WBAXXEDZSA-N 0 3 344.430 2.817 10 10 EFCEHN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000174443571 534095177 /nfs/dbraw/zinc/09/51/77/534095177.db2.gz PPGFSECGHMJZKY-ZFWWWQNUSA-N 0 3 336.455 2.516 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000263655620 535752818 /nfs/dbraw/zinc/75/28/18/535752818.db2.gz FQYIQQMQBNSRRQ-HNNXBMFYSA-N 0 3 333.403 2.871 10 10 EFCEHN CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000248818528 536148093 /nfs/dbraw/zinc/14/80/93/536148093.db2.gz VUUROBRIGAZLED-QFBILLFUSA-N 0 3 327.472 2.728 10 10 EFCEHN CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000193443629 536148117 /nfs/dbraw/zinc/14/81/17/536148117.db2.gz VUUROBRIGAZLED-VQIMIIECSA-N 0 3 327.472 2.728 10 10 EFCEHN CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1[O-] ZINC000373559323 546149512 /nfs/dbraw/zinc/14/95/12/546149512.db2.gz BNMHGJMRMNLNHS-IAGOWNOFSA-N 0 3 332.444 2.521 10 10 EFCEHN CCCN(CCC)c1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000754891055 575510286 /nfs/dbraw/zinc/51/02/86/575510286.db2.gz TWCDEXYGHHNWQR-KRWDZBQOSA-N 0 3 338.517 2.980 10 10 EFCEHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(CCO)CCOC1 ZINC000761973480 576235840 /nfs/dbraw/zinc/23/58/40/576235840.db2.gz MUCTZQCRMNGAHW-FQEVSTJZSA-N 0 3 327.424 2.938 10 10 EFCEHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC1CCC1 ZINC000768722318 577297131 /nfs/dbraw/zinc/29/71/31/577297131.db2.gz UATBGSWAFGZGEA-UHFFFAOYSA-N 0 3 342.487 2.570 10 10 EFCEHN CS/C=C/C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000769123124 577336972 /nfs/dbraw/zinc/33/69/72/577336972.db2.gz WPVIHPSWDWTQGT-MDWZMJQESA-N 0 3 345.512 2.712 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000769404231 577359813 /nfs/dbraw/zinc/35/98/13/577359813.db2.gz LCRHGDLDAQPNSS-HNNXBMFYSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000769404231 577359815 /nfs/dbraw/zinc/35/98/15/577359815.db2.gz LCRHGDLDAQPNSS-HNNXBMFYSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1cccc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000850346743 1250441024 /nfs/dbraw/zinc/44/10/24/1250441024.db2.gz IVSYUFGPQSFXAI-INIZCTEOSA-N 0 3 327.428 2.857 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3ccnn3CC(C)C)C2)cc1 ZINC000850346591 1250441123 /nfs/dbraw/zinc/44/11/23/1250441123.db2.gz HSMQCTJHDRYPFN-INIZCTEOSA-N 0 3 328.460 2.916 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000850387860 1250458823 /nfs/dbraw/zinc/45/88/23/1250458823.db2.gz BQPZFKGAIUERDB-CHWSQXEVSA-N 0 3 342.233 2.556 10 10 EFCEHN C[C@@H](O)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419675 1250478062 /nfs/dbraw/zinc/47/80/62/1250478062.db2.gz GQCWSXCHJIDGFO-UZLBHIALSA-N 0 3 326.440 2.735 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]CCN2C[C@@H]3CCCCN3C2=O)c2c1c(F)ccc2[O-] ZINC000850561650 1250537910 /nfs/dbraw/zinc/53/79/10/1250537910.db2.gz KOSYJFIWFOCSCH-IPYPFGDCSA-N 0 3 347.434 2.959 10 10 EFCEHN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824854277 1278316401 /nfs/dbraw/zinc/31/64/01/1278316401.db2.gz QBFCTXAMBAJZLS-OLZOCXBDSA-N 0 3 327.808 2.876 10 10 EFCEHN CN(C)c1ccc(CN(C[C@H]2CN(C3CC3)C(=O)O2)C2CC2)cc1 ZINC000844276816 1278850155 /nfs/dbraw/zinc/85/01/55/1278850155.db2.gz INVHSEPDZDFEDH-SFHVURJKSA-N 0 3 329.444 2.700 10 10 EFCEHN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968004 1276410458 /nfs/dbraw/zinc/41/04/58/1276410458.db2.gz FVOXEAABULUDPO-VYUIOLGVSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968002 1276410513 /nfs/dbraw/zinc/41/05/13/1276410513.db2.gz FVOXEAABULUDPO-MWODSPESSA-N 0 3 331.229 2.942 10 10 EFCEHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)[C@@H]1n1cccn1 ZINC000815167235 1287362839 /nfs/dbraw/zinc/36/28/39/1287362839.db2.gz VNJQEMDRGVBIKF-NXHRZFHOSA-N 0 3 332.423 2.597 10 10 EFCEHN COC(=O)CC1(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000846027808 1279987632 /nfs/dbraw/zinc/98/76/32/1279987632.db2.gz VSENNAWHUVRPQU-UHFFFAOYSA-N 0 3 330.350 2.957 10 10 EFCEHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813032934 1285598820 /nfs/dbraw/zinc/59/88/20/1285598820.db2.gz XTRNISZVFKKYSR-IBGZPJMESA-N 0 3 349.450 2.691 10 10 EFCEHN Cc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(C)n1 ZINC000817410589 1288590604 /nfs/dbraw/zinc/59/06/04/1288590604.db2.gz NKQMYNIPOATHAG-UHFFFAOYSA-N 0 3 329.419 2.964 10 10 EFCEHN CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414335 1288591951 /nfs/dbraw/zinc/59/19/51/1288591951.db2.gz FNOMXXXHZFYIFH-QGZVFWFLSA-N 0 3 340.423 2.539 10 10 EFCEHN CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414335 1288591955 /nfs/dbraw/zinc/59/19/55/1288591955.db2.gz FNOMXXXHZFYIFH-QGZVFWFLSA-N 0 3 340.423 2.539 10 10 EFCEHN COc1cccc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636519 1289733840 /nfs/dbraw/zinc/73/38/40/1289733840.db2.gz RLDJQXVAWRRYFP-QFBILLFUSA-N 0 3 331.387 2.701 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@]4(CCCOC4)C3)c2c1 ZINC000795633714 1290706295 /nfs/dbraw/zinc/70/62/95/1290706295.db2.gz UUNDMLVKLQLJGN-HXUWFJFHSA-N 0 3 343.423 2.935 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@]4(CCCOC4)C3)c2c1 ZINC000795633714 1290706304 /nfs/dbraw/zinc/70/63/04/1290706304.db2.gz UUNDMLVKLQLJGN-HXUWFJFHSA-N 0 3 343.423 2.935 10 10 EFCEHN CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c([O-])c1 ZINC000775347727 1291990306 /nfs/dbraw/zinc/99/03/06/1291990306.db2.gz QPFMRWNUFLAELX-UKRRQHHQSA-N 0 3 336.432 2.747 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCC23CC3)N(C)C)cc1 ZINC001234168871 1313073124 /nfs/dbraw/zinc/07/31/24/1313073124.db2.gz CVKCPSRPQFJIGD-QZTJIDSGSA-N 0 3 344.503 2.987 10 10 EFCEHN C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001197004716 1294433713 /nfs/dbraw/zinc/43/37/13/1294433713.db2.gz VDJYWPQTZQRGBI-LBPRGKRZSA-N 0 3 329.356 2.614 10 10 EFCEHN COc1cccc([O-])c1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886300676 1294833653 /nfs/dbraw/zinc/83/36/53/1294833653.db2.gz NKEXNSYEEQXICT-OAHLLOKOSA-N 0 3 335.444 2.856 10 10 EFCEHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1cccnc1 ZINC001199067871 1295412191 /nfs/dbraw/zinc/41/21/91/1295412191.db2.gz HQXLUGMTIBLAFZ-HNNXBMFYSA-N 0 3 328.435 2.823 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013182 1295660653 /nfs/dbraw/zinc/66/06/53/1295660653.db2.gz LEFCRWYLUVRAGM-HUUCEWRRSA-N 0 3 341.835 2.897 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013182 1295660671 /nfs/dbraw/zinc/66/06/71/1295660671.db2.gz LEFCRWYLUVRAGM-HUUCEWRRSA-N 0 3 341.835 2.897 10 10 EFCEHN Cc1cc(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)c1[O-] ZINC000776175517 1296812880 /nfs/dbraw/zinc/81/28/80/1296812880.db2.gz OASSBBDVIBTAKB-UHFFFAOYSA-N 0 3 341.249 2.597 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1[O-] ZINC000776519914 1299343500 /nfs/dbraw/zinc/34/35/00/1299343500.db2.gz DYICCVSYYOOMHO-INIZCTEOSA-N 0 3 329.824 2.536 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1F ZINC000852866519 1299918692 /nfs/dbraw/zinc/91/86/92/1299918692.db2.gz JFXYBUJCDHITQP-UHFFFAOYSA-N 0 3 333.451 2.950 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000853456600 1300121489 /nfs/dbraw/zinc/12/14/89/1300121489.db2.gz MIAFHJVMZDNOBM-GOSISDBHSA-N 0 3 332.492 2.768 10 10 EFCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000794835125 1303220996 /nfs/dbraw/zinc/22/09/96/1303220996.db2.gz IIGSCPDQIXZDOK-JEYLPNPQSA-N 0 3 332.444 2.846 10 10 EFCEHN CC(C)(C)OC(=O)CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000866528192 1303673935 /nfs/dbraw/zinc/67/39/35/1303673935.db2.gz WFCGIDZGZFYNLD-INIZCTEOSA-N 0 3 346.471 2.775 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCC[C@H]3OC)CC2)cc1C ZINC001277102062 1311618389 /nfs/dbraw/zinc/61/83/89/1311618389.db2.gz PPIXCVYAOUTPLN-SJLPKXTDSA-N 0 3 346.471 2.557 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC/C=C/C2CC2)N(C)C)cc1 ZINC001229247453 1312067690 /nfs/dbraw/zinc/06/76/90/1312067690.db2.gz AAXIUERZIWPCNE-DUMMIQTOSA-N 0 3 330.476 2.621 10 10 EFCEHN CCCn1cc([C@@H](C)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026987 1312292359 /nfs/dbraw/zinc/29/23/59/1312292359.db2.gz YCROHFAZMLFXLX-CVEARBPZSA-N 0 3 343.475 2.874 10 10 EFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903153695 1312414535 /nfs/dbraw/zinc/41/45/35/1312414535.db2.gz HYWQQOXFVNHTRW-NFOMZHRRSA-N 0 3 325.474 2.955 10 10 EFCEHN CC[C@@H](F)CNC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711161 1314688484 /nfs/dbraw/zinc/68/84/84/1314688484.db2.gz DZQMTDWVSQAHHR-HIFRSBDPSA-N 0 3 349.410 2.695 10 10 EFCEHN COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179473428 1314702946 /nfs/dbraw/zinc/70/29/46/1314702946.db2.gz LIHHMUVRYJMWAZ-CQSZACIVSA-N 0 3 336.432 2.842 10 10 EFCEHN COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179473428 1314702949 /nfs/dbraw/zinc/70/29/49/1314702949.db2.gz LIHHMUVRYJMWAZ-CQSZACIVSA-N 0 3 336.432 2.842 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)N(C)C)cc1 ZINC001251501039 1315352076 /nfs/dbraw/zinc/35/20/76/1315352076.db2.gz MSDWJRHGKZPVNL-FGTMMUONSA-N 0 3 344.503 2.653 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827151487 1315602032 /nfs/dbraw/zinc/60/20/32/1315602032.db2.gz CHVDRXYOAAZILO-YABSGUDNSA-N 0 3 328.250 2.912 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827151487 1315602033 /nfs/dbraw/zinc/60/20/33/1315602033.db2.gz CHVDRXYOAAZILO-YABSGUDNSA-N 0 3 328.250 2.912 10 10 EFCEHN COc1cc(C)cc(CNC2(C(=O)Nc3ccccc3)CC2)c1O ZINC001331568209 1330854114 /nfs/dbraw/zinc/85/41/14/1330854114.db2.gz YEHOUERRLIUANP-UHFFFAOYSA-N 0 3 326.396 2.970 10 10 EFCEHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCCC2)O1 ZINC000848504073 1334761291 /nfs/dbraw/zinc/76/12/91/1334761291.db2.gz ATWWZXKXARJZEG-CXAGYDPISA-N 0 3 333.428 2.742 10 10 EFCEHN Cc1cc(C(=O)CON=C(N)[C@H]2C[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517367 1334769393 /nfs/dbraw/zinc/76/93/93/1334769393.db2.gz DJPSIOUZCFIAIB-YGRLFVJLSA-N 0 3 344.390 2.965 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000848524330 1334772661 /nfs/dbraw/zinc/77/26/61/1334772661.db2.gz HWYKGUZPHUNJKL-NXEZZACHSA-N 0 3 331.254 2.764 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1[O-] ZINC000848526545 1334775018 /nfs/dbraw/zinc/77/50/18/1334775018.db2.gz AWGRHNOFLARXKM-JQWIXIFHSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1[O-] ZINC000848530787 1334777561 /nfs/dbraw/zinc/77/75/61/1334777561.db2.gz KHRKDEMJFAMACO-SKDRFNHKSA-N 0 3 332.238 2.831 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000848531417 1334777731 /nfs/dbraw/zinc/77/77/31/1334777731.db2.gz ODOJXUTXMGKLIA-UWVGGRQHSA-N 0 3 332.238 2.832 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1[O-] ZINC000848534707 1334780398 /nfs/dbraw/zinc/78/03/98/1334780398.db2.gz UFNMGKZBBBCPNL-RNCFNFMXSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1[O-] ZINC000848541657 1334785630 /nfs/dbraw/zinc/78/56/30/1334785630.db2.gz SJGZPYIURVQLMQ-DTWKUNHWSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1[O-] ZINC000848553590 1334792034 /nfs/dbraw/zinc/79/20/34/1334792034.db2.gz WKHVEUCMAAPKRS-RNCFNFMXSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1[O-] ZINC000848554754 1334792539 /nfs/dbraw/zinc/79/25/39/1334792539.db2.gz BKYBHLWUACQLED-ATZCPNFKSA-N 0 3 330.222 2.991 10 10 EFCEHN CN(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001467488134 1396860871 /nfs/dbraw/zinc/86/08/71/1396860871.db2.gz VECZMLSCCREPSQ-HNNXBMFYSA-N 0 3 348.830 2.713 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@]2(C)CC2(C)C)N(C)C)cc1 ZINC001471548189 1397183229 /nfs/dbraw/zinc/18/32/29/1397183229.db2.gz RLRUWJCNBFVZTP-LPHOPBHVSA-N 0 3 332.492 2.843 10 10 EFCEHN CNC(=O)N[C@H]1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC001560142650 1415265027 /nfs/dbraw/zinc/26/50/27/1415265027.db2.gz YXUGVKPFNFQELD-SFHVURJKSA-N 0 3 344.503 2.879 10 10 EFCEHN C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001565355433 1415394603 /nfs/dbraw/zinc/39/46/03/1415394603.db2.gz KZJSTZMQHVBASR-HFTRVMKXSA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)N(C)C)cc1 ZINC001685608903 1416768994 /nfs/dbraw/zinc/76/89/94/1416768994.db2.gz JWEZNBUUHYRJLF-AITUJVMLSA-N 0 3 344.503 2.843 10 10 EFCEHN CCCCCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001723485397 1424510045 /nfs/dbraw/zinc/51/00/45/1424510045.db2.gz WZNCAHWIVTWZLC-OAHLLOKOSA-N 0 3 331.420 2.843 10 10 EFCEHN CCCN1CCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738433 713456129 /nfs/dbraw/zinc/45/61/29/713456129.db2.gz PXOZOBBOMPHXCC-CYBMUJFWSA-N 0 3 341.249 2.645 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)N(C)C)cc1 ZINC000891245550 714131826 /nfs/dbraw/zinc/13/18/26/714131826.db2.gz GJDMEHKYOIDIJZ-YTQUADARSA-N 0 3 329.488 2.908 10 10 EFCEHN COC(=O)c1c(CNC[C@@H]2CC[C@H](C)O2)c2cc(F)ccc2n1C ZINC000894969616 723038798 /nfs/dbraw/zinc/03/87/98/723038798.db2.gz JDSJGQHLGDJUDW-AAEUAGOBSA-N 0 3 334.391 2.761 10 10 EFCEHN CCCN1CCC[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382285 717178014 /nfs/dbraw/zinc/17/80/14/717178014.db2.gz LAAKPSOGEOMTND-LJQANCHMSA-N 0 3 345.487 2.655 10 10 EFCEHN CCOC(=O)C1(COC)CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940886 718071262 /nfs/dbraw/zinc/07/12/62/718071262.db2.gz JDFZMOHHTWOFIR-UHFFFAOYSA-N 0 3 348.487 2.853 10 10 EFCEHN COC(=O)[C@H]1CSCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840976321 719997325 /nfs/dbraw/zinc/99/73/25/719997325.db2.gz DGONKEZEGFROEA-DWTRPJMMSA-N 0 3 334.485 2.604 10 10 EFCEHN C/C=C/C[C@@H](CO)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479748 722752121 /nfs/dbraw/zinc/75/21/21/722752121.db2.gz KDWDJHCGOPCBMH-IHVVCDCBSA-N 0 3 334.391 2.521 10 10 EFCEHN C/C=C\C[C@H](CO)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479747 722752151 /nfs/dbraw/zinc/75/21/51/722752151.db2.gz KDWDJHCGOPCBMH-DSYXLKISSA-N 0 3 334.391 2.521 10 10 EFCEHN COC(=O)c1c(CNCC2=CCOCC2)c2cc(F)ccc2n1C ZINC000894872577 722930407 /nfs/dbraw/zinc/93/04/07/722930407.db2.gz ASIWHHHZMCDSFJ-UHFFFAOYSA-N 0 3 332.375 2.540 10 10 EFCEHN COC(=O)c1c(CN2CC[C@H](CCCO)C2)c2cc(F)ccc2n1C ZINC000894961426 723035686 /nfs/dbraw/zinc/03/56/86/723035686.db2.gz ZYXYVVGRYUHBPD-ZDUSSCGKSA-N 0 3 348.418 2.698 10 10 EFCEHN COc1cc(C)cc(CNCc2cnc(C(F)(F)F)nc2)c1O ZINC000895229463 723891234 /nfs/dbraw/zinc/89/12/34/723891234.db2.gz VUQFFVNXAWSSLA-UHFFFAOYSA-N 0 3 327.306 2.808 10 10 EFCEHN Fc1cc(CNCc2ccc3[nH]cnc3c2)ccc1N1CCOCC1 ZINC000727466762 724055611 /nfs/dbraw/zinc/05/56/11/724055611.db2.gz FNGKJTWYSBEWDT-UHFFFAOYSA-N 0 3 340.402 2.828 10 10 EFCEHN COC(=O)c1c(CN[C@H]2CO[C@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404378 724126331 /nfs/dbraw/zinc/12/63/31/724126331.db2.gz FJEPMSSVHQNADC-DYVFJYSZSA-N 0 3 346.402 2.761 10 10 EFCEHN COC(=O)c1c(CN[C@@H]2C[C@@H](C)O[C@H]2C)c2cc(F)ccc2n1C ZINC000895440127 724134726 /nfs/dbraw/zinc/13/47/26/724134726.db2.gz OOXIOBCVLOZTPL-JRPNMDOOSA-N 0 3 334.391 2.760 10 10 EFCEHN Cc1cc(C(=O)N(C)[C@H]2CN3CCC2CC3)c(C)n1-c1ccccn1 ZINC000732161457 727000066 /nfs/dbraw/zinc/00/00/66/727000066.db2.gz WZZPDMKDBQMJON-SFHVURJKSA-N 0 3 338.455 2.655 10 10 EFCEHN Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)c(C)n1-c1ccccn1 ZINC000732161455 727000225 /nfs/dbraw/zinc/00/02/25/727000225.db2.gz WZZPDMKDBQMJON-GOSISDBHSA-N 0 3 338.455 2.655 10 10 EFCEHN CC(C)(C(=O)NCc1ccc2cccnc2c1O)N1CCCCC1 ZINC000911263252 727521283 /nfs/dbraw/zinc/52/12/83/727521283.db2.gz WBXPTBHEPJJLMC-UHFFFAOYSA-N 0 3 327.428 2.821 10 10 EFCEHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000156076786 727729786 /nfs/dbraw/zinc/72/97/86/727729786.db2.gz DPEZIRQMYKFVEG-BXUZGUMPSA-N 0 3 325.250 2.823 10 10 EFCEHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000156076786 727729788 /nfs/dbraw/zinc/72/97/88/727729788.db2.gz DPEZIRQMYKFVEG-BXUZGUMPSA-N 0 3 325.250 2.823 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000151313023 727828384 /nfs/dbraw/zinc/82/83/84/727828384.db2.gz KMRUVFOCNCLBJV-FQEVSTJZSA-N 0 3 341.407 2.944 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000151313023 727828386 /nfs/dbraw/zinc/82/83/86/727828386.db2.gz KMRUVFOCNCLBJV-FQEVSTJZSA-N 0 3 341.407 2.944 10 10 EFCEHN C[NH+](C)CC[C@@H](NC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000919151232 728980403 /nfs/dbraw/zinc/98/04/03/728980403.db2.gz PTBSKCKMHBGHMJ-OAHLLOKOSA-N 0 3 325.428 2.697 10 10 EFCEHN O=C(NCCCCC[NH+]1CCCCC1)NCc1c([O-])cccc1F ZINC000919652121 729063010 /nfs/dbraw/zinc/06/30/10/729063010.db2.gz UKYRNJATMYWTCT-UHFFFAOYSA-N 0 3 337.439 2.987 10 10 EFCEHN C[C@](CO)(NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237635691 729593525 /nfs/dbraw/zinc/59/35/25/729593525.db2.gz KSWLSDGOAZPOEF-HXUWFJFHSA-N 0 3 326.440 2.521 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccnc(F)c3)CC2)cc1C ZINC001569392864 1085173956 /nfs/dbraw/zinc/17/39/56/1085173956.db2.gz DPDFTKIQDHSOHH-UHFFFAOYSA-N 0 3 343.402 2.590 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccc(F)cn3)CC2)cc1C ZINC001569396759 1085178805 /nfs/dbraw/zinc/17/88/05/1085178805.db2.gz PSBXGXCZXFUOSR-UHFFFAOYSA-N 0 3 343.402 2.590 10 10 EFCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001648054516 1089935789 /nfs/dbraw/zinc/93/57/89/1089935789.db2.gz XXHZRTSEVSAWSU-RYUDHWBXSA-N 0 3 329.356 2.978 10 10 EFCEHN CCN(C)c1ccc(CN2CCN(CCc3ccncc3)CC2)cc1 ZINC001648046580 1089936461 /nfs/dbraw/zinc/93/64/61/1089936461.db2.gz DBXOIGQXXDOJDZ-UHFFFAOYSA-N 0 3 338.499 2.898 10 10 EFCEHN CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001620504611 1090451637 /nfs/dbraw/zinc/45/16/37/1090451637.db2.gz WOMKOWDEFFXLPD-GFCCVEGCSA-N 0 3 327.384 2.640 10 10 EFCEHN CC(C)CCO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001586054412 1092669009 /nfs/dbraw/zinc/66/90/09/1092669009.db2.gz ICBYVASOLXWOIW-APWZRJJASA-N 0 3 349.519 2.923 10 10 EFCEHN [NH3+]CC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708087453 1092972502 /nfs/dbraw/zinc/97/25/02/1092972502.db2.gz BZCMVNIHTISSDR-UHFFFAOYSA-N 0 3 333.657 2.979 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1[O-] ZINC000690797457 1094462475 /nfs/dbraw/zinc/46/24/75/1094462475.db2.gz AKWDPLQITPZEGZ-WCQYABFASA-N 0 3 326.234 2.931 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1[O-] ZINC000690797457 1094462481 /nfs/dbraw/zinc/46/24/81/1094462481.db2.gz AKWDPLQITPZEGZ-WCQYABFASA-N 0 3 326.234 2.931 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cccc(C)n2)cc1C ZINC001268508356 1097078972 /nfs/dbraw/zinc/07/89/72/1097078972.db2.gz AEVXACYVFLXIES-PLNGDYQASA-N 0 3 339.439 2.783 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001268533271 1097140175 /nfs/dbraw/zinc/14/01/75/1097140175.db2.gz KNNXDBCMKSMPOC-FJMRRMLCSA-N 0 3 339.439 2.807 10 10 EFCEHN COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccccc2[O-])cc1C ZINC001268638350 1097492900 /nfs/dbraw/zinc/49/29/00/1097492900.db2.gz NQURSEIHYRQSIX-CQSZACIVSA-N 0 3 328.412 2.617 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3scnc3C)CC2)cc1C ZINC001269380038 1098098395 /nfs/dbraw/zinc/09/83/95/1098098395.db2.gz UQYCFRNZSFIAHP-UHFFFAOYSA-N 0 3 345.468 2.821 10 10 EFCEHN CCc1ccnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001616858348 1099197942 /nfs/dbraw/zinc/19/79/42/1099197942.db2.gz KZFRWBSPJFTRLN-IBGZPJMESA-N 0 3 340.471 2.743 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)N(C)C)cc1 ZINC001618642263 1099309601 /nfs/dbraw/zinc/30/96/01/1099309601.db2.gz FRBYBOKCZMRIFA-FGTMMUONSA-N 0 3 347.503 2.675 10 10 EFCEHN CC(C)n1ccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001653421331 1101621454 /nfs/dbraw/zinc/62/14/54/1101621454.db2.gz LLUADSSEOQJZKY-QGZVFWFLSA-N 0 3 343.475 2.563 10 10 EFCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001655347441 1101813020 /nfs/dbraw/zinc/81/30/20/1101813020.db2.gz XXHZRTSEVSAWSU-VXGBXAGGSA-N 0 3 329.356 2.978 10 10 EFCEHN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1ccsc1 ZINC001662429314 1103696428 /nfs/dbraw/zinc/69/64/28/1103696428.db2.gz HNHUQSMLFCETKD-LLVKDONJSA-N 0 3 345.428 2.819 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001668780161 1105370826 /nfs/dbraw/zinc/37/08/26/1105370826.db2.gz OTRGTAYVKSGYCZ-CHYADLBTSA-N 0 3 341.455 2.828 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccc(F)nc2)cc1C ZINC001482992777 1105495477 /nfs/dbraw/zinc/49/54/77/1105495477.db2.gz YUFRPBNSHQMPLF-ONEGZZNKSA-N 0 3 343.402 2.614 10 10 EFCEHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3N)c2)CC1 ZINC000904622214 1108048381 /nfs/dbraw/zinc/04/83/81/1108048381.db2.gz JHZQDIWKADKJMH-UHFFFAOYSA-N 0 3 342.418 2.802 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccn(C)c3C)CC2)cc1C ZINC001483766460 1112191495 /nfs/dbraw/zinc/19/14/95/1112191495.db2.gz JTPKACRVABVLRG-UHFFFAOYSA-N 0 3 341.455 2.703 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1OC ZINC000160361197 239048638 /nfs/dbraw/zinc/04/86/38/239048638.db2.gz CXYQPGLTZSYXLJ-OAHLLOKOSA-N 0 3 331.416 2.579 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)cc1OC ZINC000160361197 239048643 /nfs/dbraw/zinc/04/86/43/239048643.db2.gz CXYQPGLTZSYXLJ-OAHLLOKOSA-N 0 3 331.416 2.579 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813646 240065247 /nfs/dbraw/zinc/06/52/47/240065247.db2.gz WBOUHHPNBWUHLY-UONOGXRCSA-N 0 3 328.416 2.510 10 10 EFCEHN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000185408433 299350400 /nfs/dbraw/zinc/35/04/00/299350400.db2.gz QXFSYBLWEMPGJJ-GUYCJALGSA-N 0 3 330.403 2.881 10 10 EFCEHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1C ZINC000194932196 240187976 /nfs/dbraw/zinc/18/79/76/240187976.db2.gz FLJYYGGNAWFYPO-AWEZNQCLSA-N 0 3 330.432 2.838 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1C ZINC000194932196 240187983 /nfs/dbraw/zinc/18/79/83/240187983.db2.gz FLJYYGGNAWFYPO-AWEZNQCLSA-N 0 3 330.432 2.838 10 10 EFCEHN Cc1cncc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000302162954 241193494 /nfs/dbraw/zinc/19/34/94/241193494.db2.gz QEXICXSAAKDHMQ-UHFFFAOYSA-N 0 3 337.471 2.929 10 10 EFCEHN CN(C)c1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1F ZINC000375830076 242482062 /nfs/dbraw/zinc/48/20/62/242482062.db2.gz LYMBSBHUHCQEIJ-UHFFFAOYSA-N 0 3 343.450 2.809 10 10 EFCEHN CCCOCc1cc(C[NH+]2CCN(C)CC2)c([O-])c2ncccc12 ZINC000020439858 212129053 /nfs/dbraw/zinc/12/90/53/212129053.db2.gz CYVVTEZTJPBVPY-UHFFFAOYSA-N 0 3 329.444 2.614 10 10 EFCEHN COc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000171128849 533510242 /nfs/dbraw/zinc/51/02/42/533510242.db2.gz QQWQWPDAGCSUHQ-UHFFFAOYSA-N 0 3 340.423 2.795 10 10 EFCEHN Cc1cnn(C[C@@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000112072152 473241570 /nfs/dbraw/zinc/24/15/70/473241570.db2.gz PJXBYJCQMBVLHH-KRWDZBQOSA-N 0 3 337.423 2.951 10 10 EFCEHN CCOc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1C ZINC000095985026 473243833 /nfs/dbraw/zinc/24/38/33/473243833.db2.gz FFKAWIJXYVVERN-DOTOQJQBSA-N 0 3 325.474 2.839 10 10 EFCEHN CN(C(=O)/C=C/c1ccc2c(c1)CCCN2C)C1CCN(C)CC1 ZINC000069739943 472414623 /nfs/dbraw/zinc/41/46/23/472414623.db2.gz DQYMIWXBGFSMOH-VQHVLOKHSA-N 0 3 327.472 2.635 10 10 EFCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116796819 472437668 /nfs/dbraw/zinc/43/76/68/472437668.db2.gz KHJYSYVGCORTJS-OAHLLOKOSA-N 0 3 347.484 2.558 10 10 EFCEHN CCc1nc2n(n1)C[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000069922044 472466345 /nfs/dbraw/zinc/46/63/45/472466345.db2.gz KMRUCCDKAOSXQL-KRWDZBQOSA-N 0 3 339.487 2.935 10 10 EFCEHN CN(C(=O)/C=C\c1ccc2c(c1)CCCN2C)C1CCN(C)CC1 ZINC000103907741 472648974 /nfs/dbraw/zinc/64/89/74/472648974.db2.gz DQYMIWXBGFSMOH-CLFYSBASSA-N 0 3 327.472 2.635 10 10 EFCEHN CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1[O-] ZINC000156501731 472716391 /nfs/dbraw/zinc/71/63/91/472716391.db2.gz YISOLRWGJJBUHH-GOEBONIOSA-N 0 3 341.459 2.934 10 10 EFCEHN CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121053155 472791059 /nfs/dbraw/zinc/79/10/59/472791059.db2.gz CZRLFRIHJLDDMN-SJORKVTESA-N 0 3 337.460 2.549 10 10 EFCEHN CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121053155 472791062 /nfs/dbraw/zinc/79/10/62/472791062.db2.gz CZRLFRIHJLDDMN-SJORKVTESA-N 0 3 337.460 2.549 10 10 EFCEHN CCCOc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c([O-])c1 ZINC000092079643 472856786 /nfs/dbraw/zinc/85/67/86/472856786.db2.gz VBEVJIQZFHHOLJ-INIZCTEOSA-N 0 3 348.487 2.866 10 10 EFCEHN c1cnn(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000048713699 472902932 /nfs/dbraw/zinc/90/29/32/472902932.db2.gz PJWJTGJQOQVMLW-UHFFFAOYSA-N 0 3 348.450 2.999 10 10 EFCEHN C[C@@H](NCc1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000065462486 472946767 /nfs/dbraw/zinc/94/67/67/472946767.db2.gz UVARSAUGSSCAGT-OAHLLOKOSA-N 0 3 328.435 2.823 10 10 EFCEHN C[C@H](NCc1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000065462481 472947264 /nfs/dbraw/zinc/94/72/64/472947264.db2.gz UVARSAUGSSCAGT-HNNXBMFYSA-N 0 3 328.435 2.823 10 10 EFCEHN COc1cccc(CN2CCCN(Cc3cscn3)CC2)c1O ZINC000093016247 473026371 /nfs/dbraw/zinc/02/63/71/473026371.db2.gz AYHMOFZVLIYDSG-UHFFFAOYSA-N 0 3 333.457 2.565 10 10 EFCEHN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](N(C)C)C3)cc2)CC1 ZINC000108583990 473043469 /nfs/dbraw/zinc/04/34/69/473043469.db2.gz FLPBDKHCSOEZTK-IBGZPJMESA-N 0 3 344.503 2.768 10 10 EFCEHN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093147350 473052784 /nfs/dbraw/zinc/05/27/84/473052784.db2.gz FXVIQQXWTYUURY-KRWDZBQOSA-N 0 3 337.895 2.648 10 10 EFCEHN C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093147350 473052791 /nfs/dbraw/zinc/05/27/91/473052791.db2.gz FXVIQQXWTYUURY-KRWDZBQOSA-N 0 3 337.895 2.648 10 10 EFCEHN Cc1cnn([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000123021535 473087777 /nfs/dbraw/zinc/08/77/77/473087777.db2.gz WNOHRAIOEUMAIU-FQEVSTJZSA-N 0 3 340.471 2.865 10 10 EFCEHN COc1cccc(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757674 473141466 /nfs/dbraw/zinc/14/14/66/473141466.db2.gz FMZOQZDOLZEMMB-CQSZACIVSA-N 0 3 336.432 2.890 10 10 EFCEHN COc1ccc(O)c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407818 473418737 /nfs/dbraw/zinc/41/87/37/473418737.db2.gz RMHFDGCOMVSQDU-RDTXWAMCSA-N 0 3 342.439 2.751 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)c1 ZINC000185665256 473483259 /nfs/dbraw/zinc/48/32/59/473483259.db2.gz OLQQAKKGZIPUTI-MSOLQXFVSA-N 0 3 335.444 2.855 10 10 EFCEHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000179645467 473702425 /nfs/dbraw/zinc/70/24/25/473702425.db2.gz GKJXLUQVRLBLGG-UHFFFAOYSA-N 0 3 345.399 2.548 10 10 EFCEHN COc1ccc(O)c(CN2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000179645467 473702431 /nfs/dbraw/zinc/70/24/31/473702431.db2.gz GKJXLUQVRLBLGG-UHFFFAOYSA-N 0 3 345.399 2.548 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1OC ZINC000179986898 473771645 /nfs/dbraw/zinc/77/16/45/473771645.db2.gz GHMQVRXJJDMVLO-AWEZNQCLSA-N 0 3 343.427 2.738 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1OC ZINC000179986898 473771654 /nfs/dbraw/zinc/77/16/54/473771654.db2.gz GHMQVRXJJDMVLO-AWEZNQCLSA-N 0 3 343.427 2.738 10 10 EFCEHN COc1cc(O)c(CN2CC[C@@H](CNc3ccccn3)C2)cc1OC ZINC000179986898 473771664 /nfs/dbraw/zinc/77/16/64/473771664.db2.gz GHMQVRXJJDMVLO-AWEZNQCLSA-N 0 3 343.427 2.738 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCSCC3)C1)OCO2 ZINC000269341295 473779059 /nfs/dbraw/zinc/77/90/59/473779059.db2.gz PBAMVCWEMNJXQL-ZDUSSCGKSA-N 0 3 337.441 2.655 10 10 EFCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000180120780 473803496 /nfs/dbraw/zinc/80/34/96/473803496.db2.gz PPAJXVKKTLCPQT-HNNXBMFYSA-N 0 3 330.432 2.521 10 10 EFCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000180120780 473803503 /nfs/dbraw/zinc/80/35/03/473803503.db2.gz PPAJXVKKTLCPQT-HNNXBMFYSA-N 0 3 330.432 2.521 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000187228501 473841963 /nfs/dbraw/zinc/84/19/63/473841963.db2.gz XFQAXBUCHCAXGC-PWSUYJOCSA-N 0 3 341.249 2.735 10 10 EFCEHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1[O-] ZINC000180466812 473884201 /nfs/dbraw/zinc/88/42/01/473884201.db2.gz UPZJKSOOMDNADP-UHFFFAOYSA-N 0 3 337.851 2.734 10 10 EFCEHN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ncccn1 ZINC000282338897 474028222 /nfs/dbraw/zinc/02/82/22/474028222.db2.gz BSMGDLFCLSOZGP-CQSZACIVSA-N 0 3 328.416 2.812 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265227157 474170487 /nfs/dbraw/zinc/17/04/87/474170487.db2.gz ICVVDEZTYARCSB-MRXNPFEDSA-N 0 3 340.423 2.965 10 10 EFCEHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000184670697 474579249 /nfs/dbraw/zinc/57/92/49/474579249.db2.gz ICXPDPVRZFVUAP-GFCCVEGCSA-N 0 3 336.823 2.558 10 10 EFCEHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000184670697 474579255 /nfs/dbraw/zinc/57/92/55/474579255.db2.gz ICXPDPVRZFVUAP-GFCCVEGCSA-N 0 3 336.823 2.558 10 10 EFCEHN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267607177 474674597 /nfs/dbraw/zinc/67/45/97/474674597.db2.gz JULQADFEBUNKTG-MTENODCZSA-N 0 3 347.415 2.557 10 10 EFCEHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295050965 475100113 /nfs/dbraw/zinc/10/01/13/475100113.db2.gz FUTOYYXADGFJQK-FPOVZHCZSA-N 0 3 338.451 2.964 10 10 EFCEHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295050965 475100117 /nfs/dbraw/zinc/10/01/17/475100117.db2.gz FUTOYYXADGFJQK-FPOVZHCZSA-N 0 3 338.451 2.964 10 10 EFCEHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373973382 476444255 /nfs/dbraw/zinc/44/42/55/476444255.db2.gz BHWFGAWXMPGMDY-YZVOILCLSA-N 0 3 335.444 2.949 10 10 EFCEHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000373973383 476444498 /nfs/dbraw/zinc/44/44/98/476444498.db2.gz BHWFGAWXMPGMDY-ZRGWGRIASA-N 0 3 335.444 2.949 10 10 EFCEHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373973380 476444992 /nfs/dbraw/zinc/44/49/92/476444992.db2.gz BHWFGAWXMPGMDY-DOXZYTNZSA-N 0 3 335.444 2.949 10 10 EFCEHN CCOC(=O)C1(COC)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000370125177 476674330 /nfs/dbraw/zinc/67/43/30/476674330.db2.gz YYXNJSPTXVNPOS-UHFFFAOYSA-N 0 3 335.444 2.801 10 10 EFCEHN CCOC(=O)C1(COC)CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000370125177 476674334 /nfs/dbraw/zinc/67/43/34/476674334.db2.gz YYXNJSPTXVNPOS-UHFFFAOYSA-N 0 3 335.444 2.801 10 10 EFCEHN COCC[C@@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000372104454 477642380 /nfs/dbraw/zinc/64/23/80/477642380.db2.gz YDAGFHNJPFFWBQ-SFHVURJKSA-N 0 3 347.503 2.507 10 10 EFCEHN CC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000530104975 477877302 /nfs/dbraw/zinc/87/73/02/477877302.db2.gz MQQMHRRYVKGTSN-UHFFFAOYSA-N 0 3 330.472 2.568 10 10 EFCEHN COc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCCC2)c(O)c1 ZINC000528145870 478656259 /nfs/dbraw/zinc/65/62/59/478656259.db2.gz FNVHRMOFWMEIIY-MRXNPFEDSA-N 0 3 347.459 2.607 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528718255 478896325 /nfs/dbraw/zinc/89/63/25/478896325.db2.gz WJXNXINFBXGPBJ-UHFFFAOYSA-N 0 3 327.384 2.538 10 10 EFCEHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000529644865 479234562 /nfs/dbraw/zinc/23/45/62/479234562.db2.gz PWLNZKAHCHIPEN-QGZVFWFLSA-N 0 3 330.403 2.904 10 10 EFCEHN CC1(C)CN(C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c2cc(F)ccc21 ZINC000662582884 481886376 /nfs/dbraw/zinc/88/63/76/481886376.db2.gz RVXPUUIINNMENR-LLVKDONJSA-N 0 3 328.391 2.564 10 10 EFCEHN CCN(C)c1ccc([C@H](C)NCc2cccnc2-n2cncn2)cc1 ZINC000178050003 527869221 /nfs/dbraw/zinc/86/92/21/527869221.db2.gz RKWTZMRVYLFXCI-HNNXBMFYSA-N 0 3 336.443 2.969 10 10 EFCEHN CC[C@@H](NCc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178052597 529186933 /nfs/dbraw/zinc/18/69/33/529186933.db2.gz MFIJBZUQDUIUNY-GOSISDBHSA-N 0 3 336.443 2.969 10 10 EFCEHN CCOc1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1[O-] ZINC000236893105 535456009 /nfs/dbraw/zinc/45/60/09/535456009.db2.gz KYRYVXBHFYOENJ-UHFFFAOYSA-N 0 3 327.428 2.945 10 10 EFCEHN CC[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413259 535808440 /nfs/dbraw/zinc/80/84/40/535808440.db2.gz QQKJATIQNAQSLH-RTBURBONSA-N 0 3 345.487 2.573 10 10 EFCEHN C[C@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2[O-] ZINC000756778957 575786228 /nfs/dbraw/zinc/78/62/28/575786228.db2.gz HCDQSTXLHBRVFS-SMDDNHRTSA-N 0 3 341.448 2.884 10 10 EFCEHN CC(C)(C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000757866884 575854878 /nfs/dbraw/zinc/85/48/78/575854878.db2.gz ONLUQWZITHOJTJ-OALUTQOASA-N 0 3 332.488 2.752 10 10 EFCEHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000768193683 577260275 /nfs/dbraw/zinc/26/02/75/577260275.db2.gz ITVCPWANOXYPGP-UHFFFAOYSA-N 0 3 332.444 2.625 10 10 EFCEHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464031 577276055 /nfs/dbraw/zinc/27/60/55/577276055.db2.gz MTBCDYWWTMNZLM-AZUAARDMSA-N 0 3 325.408 2.982 10 10 EFCEHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464031 577276057 /nfs/dbraw/zinc/27/60/57/577276057.db2.gz MTBCDYWWTMNZLM-AZUAARDMSA-N 0 3 325.408 2.982 10 10 EFCEHN COc1cccc(O)c1CN1CCCN(Cc2cscn2)CC1 ZINC000769314113 577351427 /nfs/dbraw/zinc/35/14/27/577351427.db2.gz DTPFARHWIBOILS-UHFFFAOYSA-N 0 3 333.457 2.565 10 10 EFCEHN CC[C@@H](CO)N1CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000769501938 577367805 /nfs/dbraw/zinc/36/78/05/577367805.db2.gz GFGXJKHZHYCOEZ-KRWDZBQOSA-N 0 3 337.483 2.560 10 10 EFCEHN Fc1cc(CN2CCC[C@@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770286539 577410038 /nfs/dbraw/zinc/41/00/38/577410038.db2.gz QQOMALAWEQGNHM-SJLPKXTDSA-N 0 3 334.435 2.663 10 10 EFCEHN C[C@@H](NC(=O)NCCN1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773216709 581406272 /nfs/dbraw/zinc/40/62/72/581406272.db2.gz BJJQSKBABKHEBF-JKSUJKDBSA-N 0 3 332.492 2.987 10 10 EFCEHN c1nn2c(c1CNCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000850034557 1250235386 /nfs/dbraw/zinc/23/53/86/1250235386.db2.gz OAHKVWRZVZTOSC-UHFFFAOYSA-N 0 3 328.485 2.672 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3ccnn3CC(C)C)C2)cc1 ZINC000850346592 1250440110 /nfs/dbraw/zinc/44/01/10/1250440110.db2.gz HSMQCTJHDRYPFN-MRXNPFEDSA-N 0 3 328.460 2.916 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000850346604 1250440929 /nfs/dbraw/zinc/44/09/29/1250440929.db2.gz HTCITYXVVPMRPC-NSHDSACASA-N 0 3 340.349 2.806 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCC2)c1[O-] ZINC000850487192 1250503902 /nfs/dbraw/zinc/50/39/02/1250503902.db2.gz GGRQILUMCWVUEC-NOZJJQNGSA-N 0 3 344.249 2.975 10 10 EFCEHN CC[C@H](F)CN[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963774 1262547841 /nfs/dbraw/zinc/54/78/41/1262547841.db2.gz SYAWGFYQMDZHGH-AAEUAGOBSA-N 0 3 337.399 2.647 10 10 EFCEHN c1cc(-c2nncnn2)ccc1CNCc1ccc2c(c1)CCCO2 ZINC000922221648 1265020693 /nfs/dbraw/zinc/02/06/93/1265020693.db2.gz JOLPGPIOSYNCPW-UHFFFAOYSA-N 0 3 333.395 2.548 10 10 EFCEHN CN(C)c1cc(F)c(CNC[C@H]2CCC3(CCOCC3)O2)cc1F ZINC000922813581 1266917112 /nfs/dbraw/zinc/91/71/12/1266917112.db2.gz WIPRDMSWDBPJRP-CQSZACIVSA-N 0 3 340.414 2.849 10 10 EFCEHN COc1ccc(O)c(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000825124159 1278419527 /nfs/dbraw/zinc/41/95/27/1278419527.db2.gz IXOGEWJXWIGUSY-LBPRGKRZSA-N 0 3 332.366 2.717 10 10 EFCEHN COc1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)nc1 ZINC000825305553 1278499805 /nfs/dbraw/zinc/49/98/05/1278499805.db2.gz NBJCZHCYWDSMHF-UHFFFAOYSA-N 0 3 327.428 2.735 10 10 EFCEHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000742393208 1270019097 /nfs/dbraw/zinc/01/90/97/1270019097.db2.gz WVNGQNKHQDXMRK-SUMDDJOVSA-N 0 3 327.472 2.776 10 10 EFCEHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000742393207 1270019180 /nfs/dbraw/zinc/01/91/80/1270019180.db2.gz WVNGQNKHQDXMRK-HHXXYDBFSA-N 0 3 327.472 2.776 10 10 EFCEHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC2(CCCC2)O1 ZINC000785520372 1275107020 /nfs/dbraw/zinc/10/70/20/1275107020.db2.gz WQKXYJNZYPWCIG-MRXNPFEDSA-N 0 3 333.428 2.742 10 10 EFCEHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC2(CCCC2)O1 ZINC000785520372 1275107027 /nfs/dbraw/zinc/10/70/27/1275107027.db2.gz WQKXYJNZYPWCIG-MRXNPFEDSA-N 0 3 333.428 2.742 10 10 EFCEHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCC2)O1 ZINC000785520372 1275107033 /nfs/dbraw/zinc/10/70/33/1275107033.db2.gz WQKXYJNZYPWCIG-MRXNPFEDSA-N 0 3 333.428 2.742 10 10 EFCEHN C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968005 1276410364 /nfs/dbraw/zinc/41/03/64/1276410364.db2.gz FVOXEAABULUDPO-ZDMBXUJBSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972093 1276415738 /nfs/dbraw/zinc/41/57/38/1276415738.db2.gz SXRFMYLBGUTOHJ-MWODSPESSA-N 0 3 331.229 2.942 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000789763955 1276971486 /nfs/dbraw/zinc/97/14/86/1276971486.db2.gz BAULYXWURZERMH-UHFFFAOYSA-N 0 3 326.868 2.897 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000789763955 1276971487 /nfs/dbraw/zinc/97/14/87/1276971487.db2.gz BAULYXWURZERMH-UHFFFAOYSA-N 0 3 326.868 2.897 10 10 EFCEHN CC1(C)Cc2n[nH]cc2CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000828013782 1277467075 /nfs/dbraw/zinc/46/70/75/1277467075.db2.gz KJGUDTLBWDTRMK-UHFFFAOYSA-N 0 3 340.471 2.831 10 10 EFCEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790946 1279153768 /nfs/dbraw/zinc/15/37/68/1279153768.db2.gz VMBMIWVVBRUFOD-WCQYABFASA-N 0 3 343.393 2.857 10 10 EFCEHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846476180 1280191949 /nfs/dbraw/zinc/19/19/49/1280191949.db2.gz JVYIVYIIEQFGES-MRXNPFEDSA-N 0 3 328.815 2.874 10 10 EFCEHN COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000808742313 1281891945 /nfs/dbraw/zinc/89/19/45/1281891945.db2.gz OQZABXWCILWWIN-YWZLYKJASA-N 0 3 343.423 2.879 10 10 EFCEHN COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000808742313 1281891949 /nfs/dbraw/zinc/89/19/49/1281891949.db2.gz OQZABXWCILWWIN-YWZLYKJASA-N 0 3 343.423 2.879 10 10 EFCEHN Cc1cc(Br)cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c1[O-] ZINC000809743170 1282445056 /nfs/dbraw/zinc/44/50/56/1282445056.db2.gz LYGINWQEAITAAA-SNVBAGLBSA-N 0 3 342.155 2.866 10 10 EFCEHN CN(C)c1ccc(CNC(=O)CN2CCC(C)(C3CC3)CC2)cc1 ZINC000810064683 1282844656 /nfs/dbraw/zinc/84/46/56/1282844656.db2.gz PXGSOGDOFGJWJM-UHFFFAOYSA-N 0 3 329.488 2.881 10 10 EFCEHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCCSc2nccs2)C1 ZINC000810397824 1283190390 /nfs/dbraw/zinc/19/03/90/1283190390.db2.gz ANHGNCPBOTYWDG-HNNXBMFYSA-N 0 3 345.509 2.954 10 10 EFCEHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCOC1 ZINC000812780623 1285412246 /nfs/dbraw/zinc/41/22/46/1285412246.db2.gz KUBFYEJZGGEKLL-GFCCVEGCSA-N 0 3 330.222 2.774 10 10 EFCEHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCOC1 ZINC000812780623 1285412241 /nfs/dbraw/zinc/41/22/41/1285412241.db2.gz KUBFYEJZGGEKLL-GFCCVEGCSA-N 0 3 330.222 2.774 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C2COCCOC2)c1[O-] ZINC000813878691 1286166365 /nfs/dbraw/zinc/16/63/65/1286166365.db2.gz FFDZBRFGPBSZCN-JTQLQIEISA-N 0 3 330.222 2.529 10 10 EFCEHN COc1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000824515688 1289678819 /nfs/dbraw/zinc/67/88/19/1289678819.db2.gz HARYBZUZMIBFSA-HNNXBMFYSA-N 0 3 331.437 2.664 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)c([O-])c1 ZINC000795604776 1290646193 /nfs/dbraw/zinc/64/61/93/1290646193.db2.gz KHLORRHLPAIFLQ-KRWDZBQOSA-N 0 3 328.412 2.758 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1[O-] ZINC000775663918 1293960081 /nfs/dbraw/zinc/96/00/81/1293960081.db2.gz HJYBMDVFFQISMV-ZDUSSCGKSA-N 0 3 341.249 2.693 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c1[O-] ZINC000775663918 1293960086 /nfs/dbraw/zinc/96/00/86/1293960086.db2.gz HJYBMDVFFQISMV-ZDUSSCGKSA-N 0 3 341.249 2.693 10 10 EFCEHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903957345 1313486903 /nfs/dbraw/zinc/48/69/03/1313486903.db2.gz PYEQQGSKSTYKTR-NSHDSACASA-N 0 3 349.219 2.798 10 10 EFCEHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)n1-c1ccc(F)cc1 ZINC000852919052 1299938573 /nfs/dbraw/zinc/93/85/73/1299938573.db2.gz PAIUBJUKMZZBCQ-IAGOWNOFSA-N 0 3 333.382 2.745 10 10 EFCEHN Cc1cc(CC(=O)[N-]OC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000854358308 1300533756 /nfs/dbraw/zinc/53/37/56/1300533756.db2.gz VBQSLUSZGRNOKF-UHFFFAOYSA-N 0 3 341.455 2.779 10 10 EFCEHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)N3CCCCCC3)C2)cc1 ZINC000855229642 1300851089 /nfs/dbraw/zinc/85/10/89/1300851089.db2.gz BMQFORKZPFNVQD-SJORKVTESA-N 0 3 345.487 2.655 10 10 EFCEHN CN(C)c1cc(F)c(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000862253179 1302320826 /nfs/dbraw/zinc/32/08/26/1302320826.db2.gz MFVSOJGDJCSHKI-BLLLJJGKSA-N 0 3 337.414 2.521 10 10 EFCEHN CCC(C)(C)OC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862470444 1302392284 /nfs/dbraw/zinc/39/22/84/1302392284.db2.gz PPPWWTUIDVKABB-UHFFFAOYSA-N 0 3 331.504 2.828 10 10 EFCEHN COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000862474625 1302395097 /nfs/dbraw/zinc/39/50/97/1302395097.db2.gz WRTFKIIIMUMVQW-FQEVSTJZSA-N 0 3 341.407 2.823 10 10 EFCEHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000862474625 1302395105 /nfs/dbraw/zinc/39/51/05/1302395105.db2.gz WRTFKIIIMUMVQW-FQEVSTJZSA-N 0 3 341.407 2.823 10 10 EFCEHN C[N@@H+]1CC[C@H](C(=O)NCc2c([O-])cccc2F)[C@@H]1c1ccccc1 ZINC000900669110 1308499035 /nfs/dbraw/zinc/49/90/35/1308499035.db2.gz FVSUJIDFTGSLEM-KSSFIOAISA-N 0 3 328.387 2.841 10 10 EFCEHN C[N@H+]1CC[C@H](C(=O)NCc2c([O-])cccc2F)[C@@H]1c1ccccc1 ZINC000900669110 1308499037 /nfs/dbraw/zinc/49/90/37/1308499037.db2.gz FVSUJIDFTGSLEM-KSSFIOAISA-N 0 3 328.387 2.841 10 10 EFCEHN Oc1cc2c(cc1CN1CC[C@@](F)(c3ccccc3)C1)[C@H](O)CO2 ZINC000800858609 1308559942 /nfs/dbraw/zinc/55/99/42/1308559942.db2.gz BNQUYNLYTMLTEF-MJGOQNOKSA-N 0 3 329.371 2.889 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)CSC(C)C)CC2)cc1C ZINC001277007204 1311452020 /nfs/dbraw/zinc/45/20/20/1311452020.db2.gz VPXMODQPDVWGST-UHFFFAOYSA-N 0 3 336.501 2.884 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c1[O-] ZINC000903317453 1312565449 /nfs/dbraw/zinc/56/54/49/1312565449.db2.gz TYODKBHZAAXIGJ-KOLCDFICSA-N 0 3 329.238 2.518 10 10 EFCEHN Cc1cc(Br)cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1[O-] ZINC000827151485 1315601989 /nfs/dbraw/zinc/60/19/89/1315601989.db2.gz CHVDRXYOAAZILO-GHMZBOCLSA-N 0 3 328.250 2.912 10 10 EFCEHN C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001256236229 1315921869 /nfs/dbraw/zinc/92/18/69/1315921869.db2.gz DRTUDYHVSUUDPI-MAUKXSAKSA-N 0 3 332.492 2.797 10 10 EFCEHN Cc1cc(Cl)cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544798 1315998131 /nfs/dbraw/zinc/99/81/31/1315998131.db2.gz KXDWZZBAPPIOLZ-CQSZACIVSA-N 0 3 325.840 2.542 10 10 EFCEHN CC(C)(C)OC(=O)N1CCCC[C@@H](NCc2ccc(O)c(O)c2)C1 ZINC000382749348 1316556763 /nfs/dbraw/zinc/55/67/63/1316556763.db2.gz PLYAZQDSYRZCRE-CQSZACIVSA-N 0 3 336.432 2.977 10 10 EFCEHN CCCCC(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001281103904 1318014059 /nfs/dbraw/zinc/01/40/59/1318014059.db2.gz IJTSPUSGWGPLTR-FQEVSTJZSA-N 0 3 348.487 2.637 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2ncccc2C)cc1C ZINC001321015769 1329331513 /nfs/dbraw/zinc/33/15/13/1329331513.db2.gz YANJSDNSIINKFT-PLNGDYQASA-N 0 3 339.439 2.783 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cc[nH]c2C)cc1C ZINC001321013847 1329331646 /nfs/dbraw/zinc/33/16/46/1329331646.db2.gz PCZKOGZKROQEIR-PLNGDYQASA-N 0 3 327.428 2.716 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2c[nH]cc2C)cc1C ZINC001321393511 1329381884 /nfs/dbraw/zinc/38/18/84/1329381884.db2.gz SMCIFXIUCXKIRN-SNAWJCMRSA-N 0 3 327.428 2.716 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CC34CCC4)CC2)cc1C ZINC001323556186 1329551478 /nfs/dbraw/zinc/55/14/78/1329551478.db2.gz UPDJWRMPQCWBMB-MRXNPFEDSA-N 0 3 328.456 2.932 10 10 EFCEHN CCCN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373373 1330588812 /nfs/dbraw/zinc/58/88/12/1330588812.db2.gz JVESYRPLQVCAEQ-LPHOPBHVSA-N 0 3 345.487 2.655 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000848526537 1334775281 /nfs/dbraw/zinc/77/52/81/1334775281.db2.gz ATKYHNDVHMHOJT-VHSXEESVSA-N 0 3 330.222 2.850 10 10 EFCEHN Cc1cc(C(=O)CON=C(N)[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517365 1334768863 /nfs/dbraw/zinc/76/88/63/1334768863.db2.gz DJPSIOUZCFIAIB-IINYFYTJSA-N 0 3 344.390 2.965 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1[O-] ZINC000848530782 1334777255 /nfs/dbraw/zinc/77/72/55/1334777255.db2.gz KHRKDEMJFAMACO-BXKDBHETSA-N 0 3 332.238 2.831 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCCO)c1[O-] ZINC000848532648 1334780179 /nfs/dbraw/zinc/78/01/79/1334780179.db2.gz KISQZCCFUOAZHB-ZJUUUORDSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CO)c1[O-] ZINC000848536999 1334782782 /nfs/dbraw/zinc/78/27/82/1334782782.db2.gz ZGJDSTUDFNNTIH-SECBINFHSA-N 0 3 332.238 2.832 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1[O-] ZINC000848541658 1334785324 /nfs/dbraw/zinc/78/53/24/1334785324.db2.gz SJGZPYIURVQLMQ-IUCAKERBSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[O-] ZINC000848548206 1334787719 /nfs/dbraw/zinc/78/77/19/1334787719.db2.gz YEZVXJFAPQMGIG-HOSYDEDBSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)O)c1[O-] ZINC000848546234 1334788287 /nfs/dbraw/zinc/78/82/87/1334788287.db2.gz VYHNSBGVELAYDM-VIFPVBQESA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000848550576 1334790329 /nfs/dbraw/zinc/79/03/29/1334790329.db2.gz QSGGCARLHMGFJK-VIFPVBQESA-N 0 3 340.221 2.780 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1[O-] ZINC000848553592 1334792071 /nfs/dbraw/zinc/79/20/71/1334792071.db2.gz WKHVEUCMAAPKRS-TVQRCGJNSA-N 0 3 344.249 2.975 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000848923801 1334989105 /nfs/dbraw/zinc/98/91/05/1334989105.db2.gz PYWKGOUSEUEJQS-MELADBBJSA-N 0 3 326.868 2.941 10 10 EFCEHN CCCN1CCC[C@@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)C1 ZINC000935943836 1335463904 /nfs/dbraw/zinc/46/39/04/1335463904.db2.gz FZILNYHNDKIAMH-CQSZACIVSA-N 0 3 325.449 2.616 10 10 EFCEHN CN(C)Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001469251525 1397016071 /nfs/dbraw/zinc/01/60/71/1397016071.db2.gz XVTDVVDYXSWIQX-UHFFFAOYSA-N 0 3 335.407 2.932 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NCC2=CCCC2)N(C)C)cc1 ZINC001565100876 1415389156 /nfs/dbraw/zinc/38/91/56/1415389156.db2.gz OPSLIMRPBVVAMY-SFHVURJKSA-N 0 3 330.476 2.765 10 10 EFCEHN CC(C)C[C@H](CNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568339525 1416482360 /nfs/dbraw/zinc/48/23/60/1416482360.db2.gz VUZFOBHQFCBYGD-CQSZACIVSA-N 0 3 337.399 2.553 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC2CC3(CCC3)C2)N(C)C)cc1 ZINC001683728162 1416683379 /nfs/dbraw/zinc/68/33/79/1416683379.db2.gz JMAYLCUOHCVPAO-SFHVURJKSA-N 0 3 344.503 2.987 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@]23C[C@@H]2CCCC3)N(C)C)cc1 ZINC001684612295 1416724378 /nfs/dbraw/zinc/72/43/78/1416724378.db2.gz PXWSTYBXUSQWBY-QRFRQXIXSA-N 0 3 344.503 2.987 10 10 EFCEHN C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001685608587 1416768900 /nfs/dbraw/zinc/76/89/00/1416768900.db2.gz DRTUDYHVSUUDPI-CRAIPNDOSA-N 0 3 332.492 2.797 10 10 EFCEHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC001687080878 1416840960 /nfs/dbraw/zinc/84/09/60/1416840960.db2.gz LPSMFWDVUUBNSG-ZWKOTPCHSA-N 0 3 332.492 2.843 10 10 EFCEHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC001687080877 1416840970 /nfs/dbraw/zinc/84/09/70/1416840970.db2.gz LPSMFWDVUUBNSG-ROUUACIJSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1ccc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000154909992 1418265681 /nfs/dbraw/zinc/26/56/81/1418265681.db2.gz ZIUTUVIJLKFUQT-AWEZNQCLSA-N 0 3 336.432 2.890 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2ncccc2F)cc1C ZINC001716356849 1418796669 /nfs/dbraw/zinc/79/66/69/1418796669.db2.gz BDNUTVMLUGLUNL-ONEGZZNKSA-N 0 3 343.402 2.614 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3nc(C)oc3C)CC2)cc1C ZINC001716697876 1418960437 /nfs/dbraw/zinc/96/04/37/1418960437.db2.gz HWWHLWSNFSLUQP-UHFFFAOYSA-N 0 3 343.427 2.661 10 10 EFCEHN CC[C@H](F)CNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001717162849 1419244200 /nfs/dbraw/zinc/24/42/00/1419244200.db2.gz KFYAQLMBZGIRAC-ZDUSSCGKSA-N 0 3 349.410 2.839 10 10 EFCEHN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC/C=C/Cl ZINC001717757220 1419537444 /nfs/dbraw/zinc/53/74/44/1419537444.db2.gz LYUABBPVGTWXNU-PTLDBEGOSA-N 0 3 337.811 2.652 10 10 EFCEHN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC/C=C\Cl ZINC001717757217 1419537559 /nfs/dbraw/zinc/53/75/59/1419537559.db2.gz LYUABBPVGTWXNU-AMYZHARFSA-N 0 3 337.811 2.652 10 10 EFCEHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2OC)c1 ZINC000182350004 720118929 /nfs/dbraw/zinc/11/89/29/720118929.db2.gz KDHUBQUIWCDQSM-LBPRGKRZSA-N 0 3 330.384 2.699 10 10 EFCEHN COC[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894018976 720221254 /nfs/dbraw/zinc/22/12/54/720221254.db2.gz DEMNAOSHUIPSFP-LBPRGKRZSA-N 0 3 334.391 2.572 10 10 EFCEHN COC(=O)c1c(CNC[C@]2(C)CCCO2)c2cc(F)ccc2n1C ZINC000894347229 722154828 /nfs/dbraw/zinc/15/48/28/722154828.db2.gz HUIRBANHOSQJGR-SFHVURJKSA-N 0 3 334.391 2.763 10 10 EFCEHN C/C=C/C[C@H](CO)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479749 722752242 /nfs/dbraw/zinc/75/22/42/722752242.db2.gz KDWDJHCGOPCBMH-MUBLQREKSA-N 0 3 334.391 2.521 10 10 EFCEHN CC[C@@H]1[C@@H](CO)CCN1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881364 722937533 /nfs/dbraw/zinc/93/75/33/722937533.db2.gz OQGUHXHKTUEPIX-MLGOLLRUSA-N 0 3 348.418 2.697 10 10 EFCEHN COC(=O)c1c(CN2CC[C@@H](CCCO)C2)c2cc(F)ccc2n1C ZINC000894961424 723035808 /nfs/dbraw/zinc/03/58/08/723035808.db2.gz ZYXYVVGRYUHBPD-CYBMUJFWSA-N 0 3 348.418 2.698 10 10 EFCEHN COC(=O)c1cc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000895229137 723891303 /nfs/dbraw/zinc/89/13/03/723891303.db2.gz SCVXQUOKHYRWIE-CQSZACIVSA-N 0 3 346.452 2.912 10 10 EFCEHN COC(=O)c1c(CN[C@H]2CO[C@@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404377 724126538 /nfs/dbraw/zinc/12/65/38/724126538.db2.gz FJEPMSSVHQNADC-CXAGYDPISA-N 0 3 346.402 2.761 10 10 EFCEHN COC(=O)c1c(CN[C@@H]2C[C@H](C)O[C@H]2C)c2cc(F)ccc2n1C ZINC000895440130 724134768 /nfs/dbraw/zinc/13/47/68/724134768.db2.gz OOXIOBCVLOZTPL-ZIBATOQPSA-N 0 3 334.391 2.760 10 10 EFCEHN COc1cccc(CN2CCN(CCCOC(C)(C)C)CC2)c1O ZINC000895644965 724241217 /nfs/dbraw/zinc/24/12/17/724241217.db2.gz JBQCTCHYIPTAGT-UHFFFAOYSA-N 0 3 336.476 2.724 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000895818517 724330987 /nfs/dbraw/zinc/33/09/87/724330987.db2.gz DJAIORHDDFKEFP-WHCBVINPSA-N 0 3 341.835 2.870 10 10 EFCEHN CCCN(CCC)c1ccc(CNC2(C(=O)NC)CCOCC2)cc1 ZINC000895884498 724369107 /nfs/dbraw/zinc/36/91/07/724369107.db2.gz PEEBUMSPMGPHMZ-UHFFFAOYSA-N 0 3 347.503 2.698 10 10 EFCEHN C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914100242 726040386 /nfs/dbraw/zinc/04/03/86/726040386.db2.gz VTZUPYMXURQKBZ-AWEZNQCLSA-N 0 3 337.439 2.843 10 10 EFCEHN C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914100242 726040389 /nfs/dbraw/zinc/04/03/89/726040389.db2.gz VTZUPYMXURQKBZ-AWEZNQCLSA-N 0 3 337.439 2.843 10 10 EFCEHN C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC000914299047 726221615 /nfs/dbraw/zinc/22/16/15/726221615.db2.gz LBWJMUQWQHFMQE-OAHLLOKOSA-N 0 3 345.418 2.503 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000151313126 727828278 /nfs/dbraw/zinc/82/82/78/727828278.db2.gz KMRUVFOCNCLBJV-HXUWFJFHSA-N 0 3 341.407 2.944 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000151313126 727828281 /nfs/dbraw/zinc/82/82/81/727828281.db2.gz KMRUVFOCNCLBJV-HXUWFJFHSA-N 0 3 341.407 2.944 10 10 EFCEHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1CCC(C)CC1 ZINC000054779539 727878165 /nfs/dbraw/zinc/87/81/65/727878165.db2.gz SAAROHPJPQAEGI-UHFFFAOYSA-N 0 3 340.427 2.712 10 10 EFCEHN COc1ccnc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)c1 ZINC000170904444 728493467 /nfs/dbraw/zinc/49/34/67/728493467.db2.gz SBLFPVPGKGDMIN-UHFFFAOYSA-N 0 3 339.439 2.607 10 10 EFCEHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C2CCCC2)CC1 ZINC000921324491 729293333 /nfs/dbraw/zinc/29/33/33/729293333.db2.gz AOVNDZJCVRCZFD-UHFFFAOYSA-N 0 3 335.423 2.738 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3(C)CCOCC3)CC2)cc1C ZINC001569423104 1085195920 /nfs/dbraw/zinc/19/59/20/1085195920.db2.gz JEWIXAZBIDWKIJ-UHFFFAOYSA-N 0 3 346.471 2.559 10 10 EFCEHN Cc1ccc(O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001603554523 1096551807 /nfs/dbraw/zinc/55/18/07/1096551807.db2.gz FZJRBZGSNPDFLR-SFHVURJKSA-N 0 3 341.455 2.799 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cccc(C)n2)cc1C ZINC001268508388 1097078817 /nfs/dbraw/zinc/07/88/17/1097078817.db2.gz AEVXACYVFLXIES-SNAWJCMRSA-N 0 3 339.439 2.783 10 10 EFCEHN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCN(CC(C)C)CC1 ZINC001634943884 1100637274 /nfs/dbraw/zinc/63/72/74/1100637274.db2.gz GTARIWBCEJBMPY-UHFFFAOYSA-N 0 3 339.476 2.862 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCCCC2)N(C)C)cc1 ZINC001638918196 1100898344 /nfs/dbraw/zinc/89/83/44/1100898344.db2.gz RPYMWWHKZJNJCS-GOSISDBHSA-N 0 3 332.492 2.941 10 10 EFCEHN CN(C)Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC001639071052 1100910075 /nfs/dbraw/zinc/91/00/75/1100910075.db2.gz OJTJJEHVZNJRFU-YVMONPNESA-N 0 3 330.359 2.950 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000848512977 1101464846 /nfs/dbraw/zinc/46/48/46/1101464846.db2.gz BPSJYKNQIRCNSI-MWLCHTKSSA-N 0 3 330.222 2.993 10 10 EFCEHN Cc1cc([O-])c(CN2CCC([N@@H+](C)CCCO)CC2)c(Cl)c1 ZINC000840915738 1102452054 /nfs/dbraw/zinc/45/20/54/1102452054.db2.gz SQDAIZHFKLPZNV-UHFFFAOYSA-N 0 3 326.868 2.633 10 10 EFCEHN Cc1cc([O-])c(CN2CCC([N@H+](C)CCCO)CC2)c(Cl)c1 ZINC000840915738 1102452047 /nfs/dbraw/zinc/45/20/47/1102452047.db2.gz SQDAIZHFKLPZNV-UHFFFAOYSA-N 0 3 326.868 2.633 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3nccs3)C1)[C@@H](O)CO2 ZINC000905732952 1103567856 /nfs/dbraw/zinc/56/78/56/1103567856.db2.gz CUXGOMPBVXWTHL-LRDDRELGSA-N 0 3 346.452 2.729 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3nccs3)C1)[C@@H](O)CO2 ZINC000905732952 1103567865 /nfs/dbraw/zinc/56/78/65/1103567865.db2.gz CUXGOMPBVXWTHL-LRDDRELGSA-N 0 3 346.452 2.729 10 10 EFCEHN CC[C@](O)(CN1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905914799 1103728129 /nfs/dbraw/zinc/72/81/29/1103728129.db2.gz KMEPXAPJNSYEJJ-INIZCTEOSA-N 0 3 346.393 2.911 10 10 EFCEHN c1ccc([C@H](CN2CCOCC2)NCc2ccc3c(c2)CCO3)cc1 ZINC000078819867 1104004908 /nfs/dbraw/zinc/00/49/08/1104004908.db2.gz CZDPCWQCLCXNPW-FQEVSTJZSA-N 0 3 338.451 2.785 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)CC(C)(F)F)cc1C ZINC001669027791 1105420025 /nfs/dbraw/zinc/42/00/25/1105420025.db2.gz WHUMGNYOTGAXIG-SNAWJCMRSA-N 0 3 326.387 2.811 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)CC(C)(F)F)cc1C ZINC001669027790 1105420582 /nfs/dbraw/zinc/42/05/82/1105420582.db2.gz WHUMGNYOTGAXIG-PLNGDYQASA-N 0 3 326.387 2.811 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)Cc2occc2C)cc1C ZINC001669033073 1105420802 /nfs/dbraw/zinc/42/08/02/1105420802.db2.gz CSWLWDVICAPNBI-SNAWJCMRSA-N 0 3 342.439 2.910 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)C2[C@@H]3CCC[C@H]23)cc1C ZINC001482995286 1105500397 /nfs/dbraw/zinc/50/03/97/1105500397.db2.gz QBBUMNFGKWYQHJ-PTZMFOCOSA-N 0 3 328.456 2.812 10 10 EFCEHN C[C@@H]1[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C ZINC000925318337 1106048866 /nfs/dbraw/zinc/04/88/66/1106048866.db2.gz FKHOJGWTMNIARP-RDTXWAMCSA-N 0 3 330.476 2.519 10 10 EFCEHN Cc1ccc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c([O-])c1 ZINC000903154875 1107032462 /nfs/dbraw/zinc/03/24/62/1107032462.db2.gz PSDBERMNTPULAV-WLYUNCDWSA-N 0 3 325.474 2.955 10 10 EFCEHN CCO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000926958595 1108268250 /nfs/dbraw/zinc/26/82/50/1108268250.db2.gz GYVMDHIENLCPAQ-AAEUAGOBSA-N 0 3 345.281 2.772 10 10 EFCEHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1CCCCN1C ZINC001682101677 1108569034 /nfs/dbraw/zinc/56/90/34/1108569034.db2.gz ULRCUQBZBGWCDC-VQIMIIECSA-N 0 3 346.519 2.776 10 10 EFCEHN CCn1cccc1C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001483098076 1108642323 /nfs/dbraw/zinc/64/23/23/1108642323.db2.gz UMGCDZHTGXGYKE-AATRIKPKSA-N 0 3 341.455 2.901 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1[O-] ZINC000927145761 1109070636 /nfs/dbraw/zinc/07/06/36/1109070636.db2.gz RZQHUBSZGALSJL-FXPVBKGRSA-N 0 3 330.222 2.585 10 10 EFCEHN CCc1oncc1C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001483772412 1112332559 /nfs/dbraw/zinc/33/25/59/1112332559.db2.gz DEWFRWCRTMGLLT-UHFFFAOYSA-N 0 3 343.427 2.606 10 10 EFCEHN COc1cc(O)c(CN2CCC[C@@H](Cc3noc(C)n3)C2)cc1OC ZINC000160130863 239044575 /nfs/dbraw/zinc/04/45/75/239044575.db2.gz JPQGMSLPENUCPP-ZDUSSCGKSA-N 0 3 347.415 2.556 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1OC ZINC000160361066 239048177 /nfs/dbraw/zinc/04/81/77/239048177.db2.gz CXYQPGLTZSYXLJ-HNNXBMFYSA-N 0 3 331.416 2.579 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)cc1OC ZINC000160361066 239048182 /nfs/dbraw/zinc/04/81/82/239048182.db2.gz CXYQPGLTZSYXLJ-HNNXBMFYSA-N 0 3 331.416 2.579 10 10 EFCEHN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000173993454 239213544 /nfs/dbraw/zinc/21/35/44/239213544.db2.gz VHZHRUGQUSBWFT-QFBILLFUSA-N 0 3 344.503 2.911 10 10 EFCEHN Cc1cc([O-])c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)cc1C ZINC000191907840 240011102 /nfs/dbraw/zinc/01/11/02/240011102.db2.gz KQHPNKMFNRYGCW-UHFFFAOYSA-N 0 3 330.432 2.838 10 10 EFCEHN Cc1cc(O)c(CN2CCC(c3nc(N(C)C)no3)CC2)cc1C ZINC000191907840 240011113 /nfs/dbraw/zinc/01/11/13/240011113.db2.gz KQHPNKMFNRYGCW-UHFFFAOYSA-N 0 3 330.432 2.838 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1[O-] ZINC000249985688 240304097 /nfs/dbraw/zinc/30/40/97/240304097.db2.gz ZCWVSUBGXXASBS-XQQFMLRXSA-N 0 3 342.233 2.820 10 10 EFCEHN CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246438569 240268544 /nfs/dbraw/zinc/26/85/44/240268544.db2.gz CZRLFRIHJLDDMN-DLBZAZTESA-N 0 3 337.460 2.549 10 10 EFCEHN CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246438569 240268550 /nfs/dbraw/zinc/26/85/50/240268550.db2.gz CZRLFRIHJLDDMN-DLBZAZTESA-N 0 3 337.460 2.549 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247920090 240285542 /nfs/dbraw/zinc/28/55/42/240285542.db2.gz BREGTARULVIIMM-PKOBYXMFSA-N 0 3 339.439 2.979 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1[O-] ZINC000248387771 240289537 /nfs/dbraw/zinc/28/95/37/240289537.db2.gz PWJZESALXKBREP-XKGZKEIXSA-N 0 3 340.467 2.926 10 10 EFCEHN C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000248715700 240293971 /nfs/dbraw/zinc/29/39/71/240293971.db2.gz DVWOWIDSHSSNOI-HUUCEWRRSA-N 0 3 332.444 2.824 10 10 EFCEHN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000248715700 240293976 /nfs/dbraw/zinc/29/39/76/240293976.db2.gz DVWOWIDSHSSNOI-HUUCEWRRSA-N 0 3 332.444 2.824 10 10 EFCEHN Fc1cc(CN[C@@H]2CCCc3n[nH]cc32)ccc1N1CCOCC1 ZINC000367596554 242386280 /nfs/dbraw/zinc/38/62/80/242386280.db2.gz PXAIBMUQLHUWBD-MRXNPFEDSA-N 0 3 330.407 2.553 10 10 EFCEHN C[C@H](NCc1ccccn1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825361 203120323 /nfs/dbraw/zinc/12/03/23/203120323.db2.gz NEINQZHQAFHFKY-HNNXBMFYSA-N 0 3 328.435 2.823 10 10 EFCEHN C[C@H](Cn1cncn1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279871020 279389016 /nfs/dbraw/zinc/38/90/16/279389016.db2.gz JOORONXLRCASRG-LLVKDONJSA-N 0 3 327.354 2.541 10 10 EFCEHN COc1cc(Br)cc(CN[C@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530179165 317071923 /nfs/dbraw/zinc/07/19/23/317071923.db2.gz USORHNPRBHADFP-ZDUSSCGKSA-N 0 3 341.249 2.538 10 10 EFCEHN Cc1cnn(C[C@H]2CN(Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000112072154 473241318 /nfs/dbraw/zinc/24/13/18/473241318.db2.gz PJXBYJCQMBVLHH-QGZVFWFLSA-N 0 3 337.423 2.951 10 10 EFCEHN CCOc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000095985023 473244287 /nfs/dbraw/zinc/24/42/87/473244287.db2.gz FFKAWIJXYVVERN-WBVHZDCISA-N 0 3 325.474 2.839 10 10 EFCEHN Cc1ccc([O-])c(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000190588635 473328506 /nfs/dbraw/zinc/32/85/06/473328506.db2.gz NUCPNDNLOOMIMR-UHFFFAOYSA-N 0 3 348.487 2.939 10 10 EFCEHN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000185279551 473384978 /nfs/dbraw/zinc/38/49/78/473384978.db2.gz DNKVWMRLGVIQDN-CYBMUJFWSA-N 0 3 331.391 2.614 10 10 EFCEHN Cc1ccc([C@H](Cc2ccc(O)c(O)c2)N2CCN(C)CC2)cc1 ZINC000033891115 471987611 /nfs/dbraw/zinc/98/76/11/471987611.db2.gz VKFHISXPCGHDLQ-SFHVURJKSA-N 0 3 326.440 2.937 10 10 EFCEHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)n1cccn1 ZINC000069372350 472330445 /nfs/dbraw/zinc/33/04/45/472330445.db2.gz QMZULVRIGSMLCD-CABCVRRESA-N 0 3 332.423 2.598 10 10 EFCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116796821 472437116 /nfs/dbraw/zinc/43/71/16/472437116.db2.gz KHJYSYVGCORTJS-HNNXBMFYSA-N 0 3 347.484 2.558 10 10 EFCEHN Cc1cc(O)c(CN2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416012 472567293 /nfs/dbraw/zinc/56/72/93/472567293.db2.gz GMJFXXJYLWKHAW-CYBMUJFWSA-N 0 3 346.456 2.711 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416012 472567298 /nfs/dbraw/zinc/56/72/98/472567298.db2.gz GMJFXXJYLWKHAW-CYBMUJFWSA-N 0 3 346.456 2.711 10 10 EFCEHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416012 472567304 /nfs/dbraw/zinc/56/73/04/472567304.db2.gz GMJFXXJYLWKHAW-CYBMUJFWSA-N 0 3 346.456 2.711 10 10 EFCEHN CCOc1cccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120203752 472648364 /nfs/dbraw/zinc/64/83/64/472648364.db2.gz BIQQUEMQDZDZCA-INIZCTEOSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1cccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120203752 472648369 /nfs/dbraw/zinc/64/83/69/472648369.db2.gz BIQQUEMQDZDZCA-INIZCTEOSA-N 0 3 342.443 2.682 10 10 EFCEHN CCn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000072298364 472657265 /nfs/dbraw/zinc/65/72/65/472657265.db2.gz HMQZCEVLKGZANP-IBGZPJMESA-N 0 3 340.471 2.907 10 10 EFCEHN Cn1cc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000131871778 472698719 /nfs/dbraw/zinc/69/87/19/472698719.db2.gz MJMPUOWBVFUFOT-IBGZPJMESA-N 0 3 326.444 2.594 10 10 EFCEHN CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1[O-] ZINC000156501972 472716362 /nfs/dbraw/zinc/71/63/62/472716362.db2.gz YISOLRWGJJBUHH-GDBMZVCRSA-N 0 3 341.459 2.934 10 10 EFCEHN COc1ccc([C@H](C)NCc2cc3c(cc2O)OCO3)c(OC)c1 ZINC000063255951 472762049 /nfs/dbraw/zinc/76/20/49/472762049.db2.gz RJKZABZWWMASLY-NSHDSACASA-N 0 3 331.368 2.989 10 10 EFCEHN Cc1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 ZINC000091675765 472792362 /nfs/dbraw/zinc/79/23/62/472792362.db2.gz WXJORYUSFUBUJA-UHFFFAOYSA-N 0 3 337.471 2.929 10 10 EFCEHN CCn1cc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])CC2)cn1 ZINC000121621580 472882428 /nfs/dbraw/zinc/88/24/28/472882428.db2.gz RKWMPHRMXNIYFA-UHFFFAOYSA-N 0 3 342.487 2.933 10 10 EFCEHN CCn1cc(CN2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])CC2)cn1 ZINC000121621580 472882435 /nfs/dbraw/zinc/88/24/35/472882435.db2.gz RKWMPHRMXNIYFA-UHFFFAOYSA-N 0 3 342.487 2.933 10 10 EFCEHN c1cnn(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000092617868 472946789 /nfs/dbraw/zinc/94/67/89/472946789.db2.gz YGNMFUSRUXSBFI-UHFFFAOYSA-N 0 3 326.444 2.557 10 10 EFCEHN CCOc1cccc(CN2CCC(N(C)c3cccnn3)CC2)c1O ZINC000093272543 473072212 /nfs/dbraw/zinc/07/22/12/473072212.db2.gz YAOMRMHFAIWGAN-UHFFFAOYSA-N 0 3 342.443 2.682 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000109033533 473075559 /nfs/dbraw/zinc/07/55/59/473075559.db2.gz CEABBAPPGGLAIW-OAHLLOKOSA-N 0 3 336.455 2.517 10 10 EFCEHN C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000093644117 473127349 /nfs/dbraw/zinc/12/73/49/473127349.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 0 3 327.812 2.868 10 10 EFCEHN C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000093644117 473127353 /nfs/dbraw/zinc/12/73/53/473127353.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 0 3 327.812 2.868 10 10 EFCEHN COc1ccc(O)c([C@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407795 473418254 /nfs/dbraw/zinc/41/82/54/473418254.db2.gz RMHFDGCOMVSQDU-KBXCAEBGSA-N 0 3 342.439 2.751 10 10 EFCEHN C[C@@H]1CN(C2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258232 473519328 /nfs/dbraw/zinc/51/93/28/473519328.db2.gz HDGMVBBHRCDQJW-GFCCVEGCSA-N 0 3 342.842 2.870 10 10 EFCEHN C[C@@H]1C[N@@H+](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258232 473519329 /nfs/dbraw/zinc/51/93/29/473519329.db2.gz HDGMVBBHRCDQJW-GFCCVEGCSA-N 0 3 342.842 2.870 10 10 EFCEHN C[C@@H]1C[N@H+](C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CCO1 ZINC000191258232 473519334 /nfs/dbraw/zinc/51/93/34/473519334.db2.gz HDGMVBBHRCDQJW-GFCCVEGCSA-N 0 3 342.842 2.870 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(C)ccc2[O-])ncn1 ZINC000185992254 473567054 /nfs/dbraw/zinc/56/70/54/473567054.db2.gz ZBWBFHOEZMRWRY-CABCVRRESA-N 0 3 341.459 2.852 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996722 473567275 /nfs/dbraw/zinc/56/72/75/473567275.db2.gz QVEDYMTXGZTKNG-QWHCGFSZSA-N 0 3 330.432 2.781 10 10 EFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000186193724 473612338 /nfs/dbraw/zinc/61/23/38/473612338.db2.gz MHVASJVFODTJRV-WDSOQIARSA-N 0 3 340.467 2.987 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179466401 473689657 /nfs/dbraw/zinc/68/96/57/473689657.db2.gz BREGTARULVIIMM-MJGOQNOKSA-N 0 3 339.439 2.979 10 10 EFCEHN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179559200 473695004 /nfs/dbraw/zinc/69/50/04/473695004.db2.gz VKAFNBFLMRDKHS-INIZCTEOSA-N 0 3 325.412 2.946 10 10 EFCEHN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179559200 473695008 /nfs/dbraw/zinc/69/50/08/473695008.db2.gz VKAFNBFLMRDKHS-INIZCTEOSA-N 0 3 325.412 2.946 10 10 EFCEHN Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(C)c3[O-])CC2)no1 ZINC000179645390 473702921 /nfs/dbraw/zinc/70/29/21/473702921.db2.gz DNMAGFPAMSBGBJ-UHFFFAOYSA-N 0 3 329.400 2.848 10 10 EFCEHN Cc1cccc(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1O ZINC000180104131 473800518 /nfs/dbraw/zinc/80/05/18/473800518.db2.gz PUAVNRIZMIFXEG-UHFFFAOYSA-N 0 3 342.487 2.970 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000187228484 473841375 /nfs/dbraw/zinc/84/13/75/473841375.db2.gz XFQAXBUCHCAXGC-CMPLNLGQSA-N 0 3 341.249 2.735 10 10 EFCEHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1[O-] ZINC000282502664 474089967 /nfs/dbraw/zinc/08/99/67/474089967.db2.gz SAAKAWPXXWQPPX-HZPDHXFCSA-N 0 3 340.423 2.723 10 10 EFCEHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000284073437 474564311 /nfs/dbraw/zinc/56/43/11/474564311.db2.gz QPTHNIQMYVAPIJ-PKOBYXMFSA-N 0 3 334.504 2.925 10 10 EFCEHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000284073428 474564458 /nfs/dbraw/zinc/56/44/58/474564458.db2.gz QPTHNIQMYVAPIJ-IEBWSBKVSA-N 0 3 334.504 2.925 10 10 EFCEHN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267607174 474675889 /nfs/dbraw/zinc/67/58/89/474675889.db2.gz JULQADFEBUNKTG-AQGQNPDFSA-N 0 3 347.415 2.557 10 10 EFCEHN CCN1CCN(c2ccc(CNCc3conc3C)cc2F)CC1 ZINC000293592824 475041347 /nfs/dbraw/zinc/04/13/47/475041347.db2.gz OJUZGXUSLLKVJP-UHFFFAOYSA-N 0 3 332.423 2.554 10 10 EFCEHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCCNC2=O)cc1 ZINC000294927474 475092607 /nfs/dbraw/zinc/09/26/07/475092607.db2.gz BJWPKCHNEHYIOG-KRWDZBQOSA-N 0 3 329.469 2.753 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)OCO2 ZINC000374472508 476483249 /nfs/dbraw/zinc/48/32/49/476483249.db2.gz QEXSCIPXXFWDAB-IFXJQAMLSA-N 0 3 327.380 2.988 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000378449753 476710368 /nfs/dbraw/zinc/71/03/68/476710368.db2.gz BBTVXMANWVVQJZ-HNNXBMFYSA-N 0 3 335.835 2.710 10 10 EFCEHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000527772057 478513168 /nfs/dbraw/zinc/51/31/68/478513168.db2.gz IBVYGCJYJRMUGH-QGZVFWFLSA-N 0 3 342.439 2.774 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c1[O-] ZINC000527958796 478588167 /nfs/dbraw/zinc/58/81/67/478588167.db2.gz WVTFXWFNBGAKNF-BPNCWPANSA-N 0 3 344.249 2.654 10 10 EFCEHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1OC ZINC000529641301 479232761 /nfs/dbraw/zinc/23/27/61/479232761.db2.gz PBXXEJIUCSASGW-INIZCTEOSA-N 0 3 334.460 2.906 10 10 EFCEHN CCN(C)c1ccc([C@@H](C)NCc2cccnc2-n2cncn2)cc1 ZINC000178049989 527870393 /nfs/dbraw/zinc/87/03/93/527870393.db2.gz RKWTZMRVYLFXCI-OAHLLOKOSA-N 0 3 336.443 2.969 10 10 EFCEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176285916 529066501 /nfs/dbraw/zinc/06/65/01/529066501.db2.gz OJVIAFVTZQYZSV-OAHLLOKOSA-N 0 3 336.455 2.517 10 10 EFCEHN COc1ccc(N2CCC(NCC(=O)NC3CCCCC3)CC2)cc1 ZINC000362274954 536670780 /nfs/dbraw/zinc/67/07/80/536670780.db2.gz ZRUPDVSBSVOXSK-UHFFFAOYSA-N 0 3 345.487 2.703 10 10 EFCEHN COc1cc(O)c(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548940 536856357 /nfs/dbraw/zinc/85/63/57/536856357.db2.gz YKMGAMGEDFMODZ-UKRRQHHQSA-N 0 3 331.416 2.689 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548940 536856361 /nfs/dbraw/zinc/85/63/61/536856361.db2.gz YKMGAMGEDFMODZ-UKRRQHHQSA-N 0 3 331.416 2.689 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548940 536856363 /nfs/dbraw/zinc/85/63/63/536856363.db2.gz YKMGAMGEDFMODZ-UKRRQHHQSA-N 0 3 331.416 2.689 10 10 EFCEHN CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1[O-] ZINC000373559324 546149556 /nfs/dbraw/zinc/14/95/56/546149556.db2.gz BNMHGJMRMNLNHS-IRXDYDNUSA-N 0 3 332.444 2.521 10 10 EFCEHN CC(C)(C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000757866888 575854874 /nfs/dbraw/zinc/85/48/74/575854874.db2.gz ONLUQWZITHOJTJ-RTBURBONSA-N 0 3 332.488 2.752 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1[O-] ZINC000757941758 575856394 /nfs/dbraw/zinc/85/63/94/575856394.db2.gz IBLGWYRJODKHDB-UHFFFAOYSA-N 0 3 330.815 2.930 10 10 EFCEHN CN(C(=O)NCCCSc1nccs1)[C@@H]1CCN(C2CC2)C1 ZINC000759591812 575905604 /nfs/dbraw/zinc/90/56/04/575905604.db2.gz RUZNATLHJFXALV-CYBMUJFWSA-N 0 3 340.518 2.503 10 10 EFCEHN CN(C(=O)NCCCSc1nccs1)[C@H]1CCN(C2CC2)C1 ZINC000759591817 575905636 /nfs/dbraw/zinc/90/56/36/575905636.db2.gz RUZNATLHJFXALV-ZDUSSCGKSA-N 0 3 340.518 2.503 10 10 EFCEHN CCN1C[C@H](C)N(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000765643705 577062178 /nfs/dbraw/zinc/06/21/78/577062178.db2.gz SNQJEPCXCNEYKP-ZAACICEASA-N 0 3 347.415 2.700 10 10 EFCEHN CCN1C[C@H](C)N(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765643702 577062212 /nfs/dbraw/zinc/06/22/12/577062212.db2.gz SNQJEPCXCNEYKP-CYUPMTOZSA-N 0 3 347.415 2.700 10 10 EFCEHN CC[S@@](=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938669 577090009 /nfs/dbraw/zinc/09/00/09/577090009.db2.gz ABQDNMCKEOYENH-MCMMXHMISA-N 0 3 344.908 2.596 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1)[C@H](O)CO2 ZINC000768465809 577276189 /nfs/dbraw/zinc/27/61/89/577276189.db2.gz LYHWDUNZCNUMLX-CRAIPNDOSA-N 0 3 333.428 2.742 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1)[C@H](O)CO2 ZINC000768465809 577276191 /nfs/dbraw/zinc/27/61/91/577276191.db2.gz LYHWDUNZCNUMLX-CRAIPNDOSA-N 0 3 333.428 2.742 10 10 EFCEHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768892821 577314730 /nfs/dbraw/zinc/31/47/30/577314730.db2.gz MJIMZLALDCEYOH-GOSISDBHSA-N 0 3 340.467 2.906 10 10 EFCEHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769326305 577352427 /nfs/dbraw/zinc/35/24/27/577352427.db2.gz IQGNRUVBLKVLMF-CQSZACIVSA-N 0 3 325.250 2.823 10 10 EFCEHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000769326305 577352428 /nfs/dbraw/zinc/35/24/28/577352428.db2.gz IQGNRUVBLKVLMF-CQSZACIVSA-N 0 3 325.250 2.823 10 10 EFCEHN CN1CCC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000726238333 577357281 /nfs/dbraw/zinc/35/72/81/577357281.db2.gz VPQWRNJNUIAXDN-MRXNPFEDSA-N 0 3 343.427 2.791 10 10 EFCEHN Fc1cc(CN2CCC[C@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770286536 577410060 /nfs/dbraw/zinc/41/00/60/577410060.db2.gz QQOMALAWEQGNHM-FUHWJXTLSA-N 0 3 334.435 2.663 10 10 EFCEHN C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773216706 581406362 /nfs/dbraw/zinc/40/63/62/581406362.db2.gz BJJQSKBABKHEBF-HOTGVXAUSA-N 0 3 332.492 2.987 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681192 581497590 /nfs/dbraw/zinc/49/75/90/581497590.db2.gz ZNGKKHRCUQDICV-MSOLQXFVSA-N 0 3 347.455 2.814 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681192 581497591 /nfs/dbraw/zinc/49/75/91/581497591.db2.gz ZNGKKHRCUQDICV-MSOLQXFVSA-N 0 3 347.455 2.814 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3cccc4c3OCO4)C2)cc1 ZINC000850345782 1250442812 /nfs/dbraw/zinc/44/28/12/1250442812.db2.gz KHCAZWSZDPTNLC-OAHLLOKOSA-N 0 3 326.396 2.792 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCC2)c1[O-] ZINC000850487196 1250503614 /nfs/dbraw/zinc/50/36/14/1250503614.db2.gz GGRQILUMCWVUEC-TVQRCGJNSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1[O-] ZINC000850516922 1250516639 /nfs/dbraw/zinc/51/66/39/1250516639.db2.gz ZOPLCIYIAHPTQC-NXEZZACHSA-N 0 3 344.249 2.975 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([O-])c1 ZINC000850558423 1250535772 /nfs/dbraw/zinc/53/57/72/1250535772.db2.gz WIPUZSAXNIFCRJ-KFKAGJAMSA-N 0 3 330.472 2.995 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]CCN2C[C@@H]3CCCCN3C2=O)c2c1c(F)ccc2[O-] ZINC000850561653 1250538168 /nfs/dbraw/zinc/53/81/68/1250538168.db2.gz KOSYJFIWFOCSCH-VNHYZAJKSA-N 0 3 347.434 2.959 10 10 EFCEHN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921566011 1257467216 /nfs/dbraw/zinc/46/72/16/1257467216.db2.gz RLIXWECTYJKJLU-AWEZNQCLSA-N 0 3 337.439 2.699 10 10 EFCEHN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921566011 1257467220 /nfs/dbraw/zinc/46/72/20/1257467220.db2.gz RLIXWECTYJKJLU-AWEZNQCLSA-N 0 3 337.439 2.699 10 10 EFCEHN C[C@@H](NCc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593042 1257500162 /nfs/dbraw/zinc/50/01/62/1257500162.db2.gz PGMDGJWQFNFYTC-OAHLLOKOSA-N 0 3 332.423 2.540 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C[C@H]3CCCOC3)CC2)cc1C ZINC001670899927 1257956652 /nfs/dbraw/zinc/95/66/52/1257956652.db2.gz HODRDTOIYUZTGE-QGZVFWFLSA-N 0 3 346.471 2.559 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3ccnn3C3CCC3)C2)cc1 ZINC000922238515 1265054732 /nfs/dbraw/zinc/05/47/32/1265054732.db2.gz UYLTWMQFZJQEHO-HNNXBMFYSA-N 0 3 326.444 2.985 10 10 EFCEHN COc1cccc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825117596 1278418319 /nfs/dbraw/zinc/41/83/19/1278418319.db2.gz HXQAOXJTEYCHJN-GFCCVEGCSA-N 0 3 332.366 2.717 10 10 EFCEHN COc1ccc(O)c(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000825124158 1278419951 /nfs/dbraw/zinc/41/99/51/1278419951.db2.gz IXOGEWJXWIGUSY-GFCCVEGCSA-N 0 3 332.366 2.717 10 10 EFCEHN COc1ccc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000743835676 1270777983 /nfs/dbraw/zinc/77/79/83/1270777983.db2.gz HBRCVJSPHAEJKS-UHFFFAOYSA-N 0 3 338.451 2.995 10 10 EFCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000792193712 1278634748 /nfs/dbraw/zinc/63/47/48/1278634748.db2.gz YUKGKNGCSWFVMB-GFCCVEGCSA-N 0 3 325.330 2.750 10 10 EFCEHN [O-]c1cccc(Br)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000707172216 1275376322 /nfs/dbraw/zinc/37/63/22/1275376322.db2.gz UUJQPFXAYGYTDS-GFCCVEGCSA-N 0 3 325.250 2.825 10 10 EFCEHN [O-]c1cccc(Br)c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000707172216 1275376329 /nfs/dbraw/zinc/37/63/29/1275376329.db2.gz UUJQPFXAYGYTDS-GFCCVEGCSA-N 0 3 325.250 2.825 10 10 EFCEHN C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969702 1276411269 /nfs/dbraw/zinc/41/12/69/1276411269.db2.gz YFOFFGCUZGKGNC-MWODSPESSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972095 1276415607 /nfs/dbraw/zinc/41/56/07/1276415607.db2.gz SXRFMYLBGUTOHJ-RVBZMBCESA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1[O-] ZINC000817980028 1276420118 /nfs/dbraw/zinc/42/01/18/1276420118.db2.gz HTGMXVSRJTVJPR-QPUJVOFHSA-N 0 3 335.192 2.803 10 10 EFCEHN C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110830 1276465564 /nfs/dbraw/zinc/46/55/64/1276465564.db2.gz AXJKBTJFTVDRTR-MAUKXSAKSA-N 0 3 345.487 2.573 10 10 EFCEHN CCCN(CCC)c1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233716 1276495624 /nfs/dbraw/zinc/49/56/24/1276495624.db2.gz NFAJIUQLTXHMLQ-QGZVFWFLSA-N 0 3 331.460 2.550 10 10 EFCEHN COc1ccc(N2CCN(C[C@@H](O)C3CCCCC3)CC2)cc1F ZINC000789325790 1276657797 /nfs/dbraw/zinc/65/77/97/1276657797.db2.gz FBVPIIKGLPQARG-GOSISDBHSA-N 0 3 336.451 2.898 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000789765394 1276973197 /nfs/dbraw/zinc/97/31/97/1276973197.db2.gz OVFRINJQATVDLT-OKILXGFUSA-N 0 3 326.868 2.895 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000789765394 1276973201 /nfs/dbraw/zinc/97/32/01/1276973201.db2.gz OVFRINJQATVDLT-OKILXGFUSA-N 0 3 326.868 2.895 10 10 EFCEHN CCN(C)c1ccc(CN2CCC(Oc3cnccn3)CC2)cc1 ZINC000815104385 1287325870 /nfs/dbraw/zinc/32/58/70/1287325870.db2.gz JHGFFJUTOBCJTD-UHFFFAOYSA-N 0 3 326.444 2.976 10 10 EFCEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790944 1279153840 /nfs/dbraw/zinc/15/38/40/1279153840.db2.gz VMBMIWVVBRUFOD-DGCLKSJQSA-N 0 3 343.393 2.857 10 10 EFCEHN Cc1ccccc1[C@@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000747100510 1279366604 /nfs/dbraw/zinc/36/66/04/1279366604.db2.gz IXOWPAAHIFMPJX-HXUWFJFHSA-N 0 3 326.440 2.655 10 10 EFCEHN COc1cnccc1N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000793369198 1279583803 /nfs/dbraw/zinc/58/38/03/1279583803.db2.gz DUBNLZKRYBXSSK-UHFFFAOYSA-N 0 3 344.434 2.618 10 10 EFCEHN COc1cc(O)c(CNCc2ccnc(OC(F)F)c2)cc1OC ZINC000793624415 1279781438 /nfs/dbraw/zinc/78/14/38/1279781438.db2.gz NAYIMJVCECRXNV-UHFFFAOYSA-N 0 3 340.326 2.696 10 10 EFCEHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)cc(C(C)(C)C)c3O)C[C@@H]21 ZINC000793642159 1279786424 /nfs/dbraw/zinc/78/64/24/1279786424.db2.gz FSRAERFWTXVAON-FOLVSLTJSA-N 0 3 333.428 2.549 10 10 EFCEHN COc1cc(Br)cc(C[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000846102994 1280035158 /nfs/dbraw/zinc/03/51/58/1280035158.db2.gz SOYVIMYGVIQZRN-UHFFFAOYSA-N 0 3 344.249 2.806 10 10 EFCEHN COCCN1CCN(C/C=C/c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000846103378 1280035444 /nfs/dbraw/zinc/03/54/44/1280035444.db2.gz OYBPKNFNAVCUJM-VOTSOKGWSA-N 0 3 331.504 2.808 10 10 EFCEHN CNC(=O)C[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168787 1280045454 /nfs/dbraw/zinc/04/54/54/1280045454.db2.gz VSXIFAYXHNYGJZ-CZUORRHYSA-N 0 3 328.412 2.929 10 10 EFCEHN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC001144879674 1280348407 /nfs/dbraw/zinc/34/84/07/1280348407.db2.gz UFNGPAOYKAYIOB-IBGZPJMESA-N 0 3 345.487 2.607 10 10 EFCEHN C/C(=C\c1cccnc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000846923429 1280620029 /nfs/dbraw/zinc/62/00/29/1280620029.db2.gz RDPZXKSTDHFDQQ-GSPCDJLXSA-N 0 3 337.423 2.841 10 10 EFCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000808718115 1281871880 /nfs/dbraw/zinc/87/18/80/1281871880.db2.gz LZTHTSPZUCQCRE-QWRGUYRKSA-N 0 3 331.865 2.970 10 10 EFCEHN CSCC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)N(C)C ZINC000809784815 1282481431 /nfs/dbraw/zinc/48/14/31/1282481431.db2.gz NXECPOJKTALPDI-ZDUSSCGKSA-N 0 3 330.881 2.654 10 10 EFCEHN COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000811517685 1284369455 /nfs/dbraw/zinc/36/94/55/1284369455.db2.gz ZKYBYIHOVLYRAD-ZDUSSCGKSA-N 0 3 332.238 2.604 10 10 EFCEHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2C)n(C)c1C ZINC000812756664 1285402978 /nfs/dbraw/zinc/40/29/78/1285402978.db2.gz RRABFQQWKZZKPH-UHFFFAOYSA-N 0 3 329.444 2.784 10 10 EFCEHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813032935 1285598766 /nfs/dbraw/zinc/59/87/66/1285598766.db2.gz XTRNISZVFKKYSR-LJQANCHMSA-N 0 3 349.450 2.691 10 10 EFCEHN Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c([O-])c1O ZINC001180534981 1289552996 /nfs/dbraw/zinc/55/29/96/1289552996.db2.gz VKNWWKLMQJAIFE-GOEBONIOSA-N 0 3 332.444 2.741 10 10 EFCEHN COC[C@](C)(O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824559175 1289698682 /nfs/dbraw/zinc/69/86/82/1289698682.db2.gz JFWLJVKANWGYED-HXUWFJFHSA-N 0 3 345.439 2.848 10 10 EFCEHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886300675 1294833070 /nfs/dbraw/zinc/83/30/70/1294833070.db2.gz NKEXNSYEEQXICT-HNNXBMFYSA-N 0 3 335.444 2.856 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c([O-])c1 ZINC000886340515 1294874417 /nfs/dbraw/zinc/87/44/17/1294874417.db2.gz HXXOYLVPKKJBGU-XNWVLMOPSA-N 0 3 335.444 2.853 10 10 EFCEHN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000775835120 1294965594 /nfs/dbraw/zinc/96/55/94/1294965594.db2.gz FKIAAYPVSOVLHB-ZYSHUDEJSA-N 0 3 345.487 2.573 10 10 EFCEHN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000775834509 1294978170 /nfs/dbraw/zinc/97/81/70/1294978170.db2.gz ULFJNADIQZHLTM-CYBMUJFWSA-N 0 3 341.411 2.771 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000852412278 1299695062 /nfs/dbraw/zinc/69/50/62/1299695062.db2.gz PCMCPQBOAKSWNA-QGZVFWFLSA-N 0 3 332.492 2.767 10 10 EFCEHN c1csc(CN(C[C@@H]2CNCCO2)c2ccc3c(c2)OCCO3)c1 ZINC000852743028 1299853066 /nfs/dbraw/zinc/85/30/66/1299853066.db2.gz RDTWZYVGYFDPRO-HNNXBMFYSA-N 0 3 346.452 2.514 10 10 EFCEHN CN1CCCc2cc(CNC(=O)C[C@H]3NCc4ccccc43)ccc21 ZINC000852798794 1299893114 /nfs/dbraw/zinc/89/31/14/1299893114.db2.gz NYJAMLKSNGPZLU-LJQANCHMSA-N 0 3 335.451 2.920 10 10 EFCEHN CC(C)(C)c1cc(O)c(O)c(CN2CCC3=C(CCC(=O)N3)C2)c1 ZINC000853521376 1300146262 /nfs/dbraw/zinc/14/62/62/1300146262.db2.gz ZXQBAQLXCJPVCU-UHFFFAOYSA-N 0 3 330.428 2.765 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1[O-] ZINC000853566210 1300170498 /nfs/dbraw/zinc/17/04/98/1300170498.db2.gz NBRAWLNCHIWSML-JLTOFOAXSA-N 0 3 341.407 2.800 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1[O-] ZINC000853566210 1300170502 /nfs/dbraw/zinc/17/05/02/1300170502.db2.gz NBRAWLNCHIWSML-JLTOFOAXSA-N 0 3 341.407 2.800 10 10 EFCEHN CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCN(C)C1 ZINC000854176191 1300461537 /nfs/dbraw/zinc/46/15/37/1300461537.db2.gz BZOIDEWWQQVKAW-APWZRJJASA-N 0 3 346.519 2.728 10 10 EFCEHN CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCN(C)C1 ZINC000854176195 1300462288 /nfs/dbraw/zinc/46/22/88/1300462288.db2.gz BZOIDEWWQQVKAW-LPHOPBHVSA-N 0 3 346.519 2.728 10 10 EFCEHN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000859362239 1301442970 /nfs/dbraw/zinc/44/29/70/1301442970.db2.gz SXSOFRKEOLDYHT-IBGZPJMESA-N 0 3 339.439 2.731 10 10 EFCEHN CC(=O)c1cc(F)cc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1[O-] ZINC000863559363 1302650277 /nfs/dbraw/zinc/65/02/77/1302650277.db2.gz LVEQOWYGYICVEB-BONVTDFDSA-N 0 3 348.340 2.836 10 10 EFCEHN C[C@@H](NCc1ccc(N2CCCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000796492518 1303566886 /nfs/dbraw/zinc/56/68/86/1303566886.db2.gz TVTYFXBWJOFMMA-OAHLLOKOSA-N 0 3 336.501 2.732 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000866432893 1303637695 /nfs/dbraw/zinc/63/76/95/1303637695.db2.gz FGFXILKDFGCOGE-BXUZGUMPSA-N 0 3 339.374 2.845 10 10 EFCEHN Cc1cc(C(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC000794954170 1303806686 /nfs/dbraw/zinc/80/66/86/1303806686.db2.gz MOPOKQVBTOHVLK-XLIONFOSSA-N 0 3 337.467 2.913 10 10 EFCEHN C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1O ZINC000868173308 1304170531 /nfs/dbraw/zinc/17/05/31/1304170531.db2.gz SYHLEQBOSRNZRT-LBPRGKRZSA-N 0 3 327.384 2.757 10 10 EFCEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000903223245 1312477167 /nfs/dbraw/zinc/47/71/67/1312477167.db2.gz YOSDRPHWPVSIPC-NSHDSACASA-N 0 3 349.456 2.548 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c1[O-] ZINC000903300146 1312550711 /nfs/dbraw/zinc/55/07/11/1312550711.db2.gz HDKYLPKSMGTRCT-OUJBWJOFSA-N 0 3 343.265 2.907 10 10 EFCEHN CN(c1ccc(CNC(=O)C(N)C(F)(F)F)cc1)C1CCCCC1 ZINC000827821424 1316019815 /nfs/dbraw/zinc/01/98/15/1316019815.db2.gz ZEPZJPNWODHESR-OAHLLOKOSA-N 0 3 343.393 2.961 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cscn2)cc1C ZINC001321002963 1329330280 /nfs/dbraw/zinc/33/02/80/1329330280.db2.gz ZNFMZJXRUHDNIG-ARJAWSKDSA-N 0 3 331.441 2.536 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2ncccc2C)cc1C ZINC001321015772 1329331628 /nfs/dbraw/zinc/33/16/28/1329331628.db2.gz YANJSDNSIINKFT-SNAWJCMRSA-N 0 3 339.439 2.783 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccoc3C)CC2)cc1C ZINC001323385599 1329539866 /nfs/dbraw/zinc/53/98/66/1329539866.db2.gz WOXPEDBAXSFDLR-UHFFFAOYSA-N 0 3 328.412 2.957 10 10 EFCEHN CNC(=O)C[C@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001332004802 1330903224 /nfs/dbraw/zinc/90/32/24/1330903224.db2.gz OJKSOPZUMHHWIB-INIZCTEOSA-N 0 3 328.412 2.676 10 10 EFCEHN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738720 1331013457 /nfs/dbraw/zinc/01/34/57/1331013457.db2.gz KEYHOJLNRSHZCS-NVXWUHKLSA-N 0 3 335.467 2.577 10 10 EFCEHN CN1CCN(c2ccc(CN3CC(Cc4ccco4)C3)cc2F)CC1 ZINC001351626851 1333259580 /nfs/dbraw/zinc/25/95/80/1333259580.db2.gz CBAPHLSBYQJKSQ-UHFFFAOYSA-N 0 3 343.446 2.845 10 10 EFCEHN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1C1CCCC1 ZINC001352970927 1333839046 /nfs/dbraw/zinc/83/90/46/1333839046.db2.gz UONXZZLVAUDTST-ZDUSSCGKSA-N 0 3 343.431 2.938 10 10 EFCEHN CCCCCCN(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001300633412 1334344172 /nfs/dbraw/zinc/34/41/72/1334344172.db2.gz IPNPKPVYZQOZCY-QGZVFWFLSA-N 0 3 347.503 2.902 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(C)COC2)c1[O-] ZINC000848530920 1334777671 /nfs/dbraw/zinc/77/76/71/1334777671.db2.gz KWSLQJIKFNOACB-VIFPVBQESA-N 0 3 330.222 2.850 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CCOCC2)c1[O-] ZINC000848521999 1334771537 /nfs/dbraw/zinc/77/15/37/1334771537.db2.gz TWOVGAOOOKOPOI-SECBINFHSA-N 0 3 330.222 2.993 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C)CC2)c1[O-] ZINC000848522541 1334771966 /nfs/dbraw/zinc/77/19/66/1334771966.db2.gz WKNVPSLZMARPTM-SNVBAGLBSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1[O-] ZINC000848527448 1334775312 /nfs/dbraw/zinc/77/53/12/1334775312.db2.gz AXCHLZJVOQRTQF-RFAUZJTJSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)COC2)c1[O-] ZINC000848530918 1334777775 /nfs/dbraw/zinc/77/77/75/1334777775.db2.gz KWSLQJIKFNOACB-SECBINFHSA-N 0 3 330.222 2.850 10 10 EFCEHN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532917 1334780083 /nfs/dbraw/zinc/78/00/83/1334780083.db2.gz MNJXVNPMTMTNHF-GXSJLCMTSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCn2cccn2)c1[O-] ZINC000848534398 1334780373 /nfs/dbraw/zinc/78/03/73/1334780373.db2.gz ZLNOFIVJKBVHEN-JTQLQIEISA-N 0 3 340.221 2.711 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000848536638 1334783334 /nfs/dbraw/zinc/78/33/34/1334783334.db2.gz SAOPGQWODPARAW-SKDRFNHKSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CCC2)c1[O-] ZINC000848543246 1334785820 /nfs/dbraw/zinc/78/58/20/1334785820.db2.gz CDKUSJYNMIDHKE-JTQLQIEISA-N 0 3 344.249 2.977 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000848550773 1334790584 /nfs/dbraw/zinc/79/05/84/1334790584.db2.gz WFCCWZVRHKLCSI-UWVGGRQHSA-N 0 3 331.254 2.764 10 10 EFCEHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])[C@H](C)O ZINC000848553890 1334791786 /nfs/dbraw/zinc/79/17/86/1334791786.db2.gz OHFWGRIRNFZDLE-PTRXPTGYSA-N 0 3 332.238 2.973 10 10 EFCEHN CCN(CC)c1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000848577919 1334804419 /nfs/dbraw/zinc/80/44/19/1334804419.db2.gz RSXQYPNARVICGP-OAHLLOKOSA-N 0 3 335.423 2.745 10 10 EFCEHN O=C(NCc1c(O)cccc1O)c1ccc(NC2=NCCC2)cc1 ZINC001456323623 1394666907 /nfs/dbraw/zinc/66/69/07/1394666907.db2.gz UVTJMZFRMPYHCH-UHFFFAOYSA-N 0 3 325.368 2.632 10 10 EFCEHN COc1ccc2c(c1)c1c(n2CC(=O)N(C)CCN(C)C)CCCC1 ZINC001465580096 1396694202 /nfs/dbraw/zinc/69/42/02/1396694202.db2.gz FRSKCKNQZJYREC-UHFFFAOYSA-N 0 3 343.471 2.549 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC2(C)C)N(C)C)cc1 ZINC001470116131 1397074293 /nfs/dbraw/zinc/07/42/93/1397074293.db2.gz QPHDLLGUPHMVQL-IRXDYDNUSA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC2(C3CCC3)CC2)N(C)C)cc1 ZINC001471548245 1397182669 /nfs/dbraw/zinc/18/26/69/1397182669.db2.gz SREKUKVMMNRDSW-SFHVURJKSA-N 0 3 344.503 2.987 10 10 EFCEHN CCO[C@H](CN1CCN(c2ccc(OC)cc2OC)CC1)C1CC1 ZINC001473731789 1397326645 /nfs/dbraw/zinc/32/66/45/1397326645.db2.gz GVEOPTVUSBPRPC-LJQANCHMSA-N 0 3 334.460 2.641 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NCC2(C3CC3)CC2)N(C)C)cc1 ZINC001478268163 1397572302 /nfs/dbraw/zinc/57/23/02/1397572302.db2.gz IFUCIJRUAJHCRP-GOSISDBHSA-N 0 3 344.503 2.845 10 10 EFCEHN CC/C=C\CCN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494636085 1399409579 /nfs/dbraw/zinc/40/95/79/1399409579.db2.gz TYBBDERIDIXGCK-IYYWNQSKSA-N 0 3 343.431 2.867 10 10 EFCEHN COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccccc2[O-])cc1C ZINC001495623734 1400126352 /nfs/dbraw/zinc/12/63/52/1400126352.db2.gz SVFIQWVGLSEYQE-AWEZNQCLSA-N 0 3 342.439 2.865 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cscn3)CC2)cc1C ZINC001499184545 1402512652 /nfs/dbraw/zinc/51/26/52/1402512652.db2.gz YUSJZPALLXJIEN-UHFFFAOYSA-N 0 3 331.441 2.512 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001557290284 1415117998 /nfs/dbraw/zinc/11/79/98/1415117998.db2.gz YKKIXYWBZVWDFN-GJZGRUSLSA-N 0 3 329.404 2.596 10 10 EFCEHN C[C@@H]([NH2+]CC(=O)NCCc1cccc2cccnc21)c1ccccc1[O-] ZINC001560074809 1415261863 /nfs/dbraw/zinc/26/18/63/1415261863.db2.gz HEYGWAQGSKTGGH-OAHLLOKOSA-N 0 3 349.434 2.950 10 10 EFCEHN C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001565355435 1415394175 /nfs/dbraw/zinc/39/41/75/1415394175.db2.gz KZJSTZMQHVBASR-QGPMSJSTSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccccc2[O-])cc1C ZINC001700736325 1417635377 /nfs/dbraw/zinc/63/53/77/1417635377.db2.gz BUTFJERUWXOJGQ-HNNXBMFYSA-N 0 3 342.439 2.960 10 10 EFCEHN CCc1ncoc1C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001716341353 1418785716 /nfs/dbraw/zinc/78/57/16/1418785716.db2.gz IEQOQPGGVFQLOJ-WAYWQWQTSA-N 0 3 343.427 2.630 10 10 EFCEHN CCc1ncoc1C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716693192 1418959772 /nfs/dbraw/zinc/95/97/72/1418959772.db2.gz DZRNMNJWWKSSPF-UHFFFAOYSA-N 0 3 343.427 2.606 10 10 EFCEHN C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC/C=C\Cl ZINC001717757221 1419537295 /nfs/dbraw/zinc/53/72/95/1419537295.db2.gz LYUABBPVGTWXNU-YKIPQYDZSA-N 0 3 337.811 2.652 10 10 EFCEHN CCN(CC)C(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000120722003 713354924 /nfs/dbraw/zinc/35/49/24/713354924.db2.gz KVIFRKMXIAFRFL-UHFFFAOYSA-N 0 3 335.467 2.972 10 10 EFCEHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1CCCC[C@H]1C ZINC000047144607 714088448 /nfs/dbraw/zinc/08/84/48/714088448.db2.gz HVCLFQQQBJXRNJ-CQSZACIVSA-N 0 3 340.427 2.855 10 10 EFCEHN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848528301 715268983 /nfs/dbraw/zinc/26/89/83/715268983.db2.gz KSQXWQROTCTKAL-OTYXRUKQSA-N 0 3 332.238 2.975 10 10 EFCEHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1CCCCCC1 ZINC000121848213 715738890 /nfs/dbraw/zinc/73/88/90/715738890.db2.gz HTGDCPVXUVSKBF-UHFFFAOYSA-N 0 3 340.427 2.856 10 10 EFCEHN CCC[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000161940800 716430854 /nfs/dbraw/zinc/43/08/54/716430854.db2.gz UGGKJLOMFWOCCS-SFHVURJKSA-N 0 3 333.476 2.511 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1[O-] ZINC000895678548 724249108 /nfs/dbraw/zinc/24/91/08/724249108.db2.gz VXCLHERAEAPIBW-SECBINFHSA-N 0 3 349.683 2.702 10 10 EFCEHN CN(C)c1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1F ZINC000122470078 719307518 /nfs/dbraw/zinc/30/75/18/719307518.db2.gz KTFDVRRIHPTPGH-UHFFFAOYSA-N 0 3 333.451 2.726 10 10 EFCEHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCN1C ZINC000917524130 728750702 /nfs/dbraw/zinc/75/07/02/728750702.db2.gz WNTAAWAOZLXNGG-LPHOPBHVSA-N 0 3 344.503 2.815 10 10 EFCEHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCN1C ZINC000917524132 728750718 /nfs/dbraw/zinc/75/07/18/728750718.db2.gz WNTAAWAOZLXNGG-VQIMIIECSA-N 0 3 344.503 2.815 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1[O-] ZINC000840974440 719925575 /nfs/dbraw/zinc/92/55/75/719925575.db2.gz AURSPBNZTWDNCO-UHFFFAOYSA-N 0 3 331.865 2.659 10 10 EFCEHN COC(=O)[C@H]1CSCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840976324 719996992 /nfs/dbraw/zinc/99/69/92/719996992.db2.gz DGONKEZEGFROEA-YIEVGGLXSA-N 0 3 334.485 2.604 10 10 EFCEHN COC(=O)[C@@H]1CSCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840976317 719999958 /nfs/dbraw/zinc/99/99/58/719999958.db2.gz DGONKEZEGFROEA-APHBUQMISA-N 0 3 334.485 2.604 10 10 EFCEHN COC[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894018974 720221532 /nfs/dbraw/zinc/22/15/32/720221532.db2.gz DEMNAOSHUIPSFP-GFCCVEGCSA-N 0 3 334.391 2.572 10 10 EFCEHN CC[C@@H](C)[C@@H](O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250444 721740346 /nfs/dbraw/zinc/74/03/46/721740346.db2.gz JRSPLLQLVYFROB-BZNIZROVSA-N 0 3 336.407 2.601 10 10 EFCEHN CCC[C@](C)(O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894254309 721758601 /nfs/dbraw/zinc/75/86/01/721758601.db2.gz NEEHULBNOHTVOT-SFHVURJKSA-N 0 3 336.407 2.745 10 10 EFCEHN COC(=O)c1c(CNCC2(OC)CCC2)c2cc(F)ccc2n1C ZINC000894431799 722734835 /nfs/dbraw/zinc/73/48/35/722734835.db2.gz YHOCRXMUXKYUAX-UHFFFAOYSA-N 0 3 334.391 2.763 10 10 EFCEHN COc1cc(C)cc(CNC[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000895387750 724101306 /nfs/dbraw/zinc/10/13/06/724101306.db2.gz FCFLQYPQAGRJNC-CYBMUJFWSA-N 0 3 329.322 2.799 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000895818515 724331364 /nfs/dbraw/zinc/33/13/64/724331364.db2.gz DJAIORHDDFKEFP-PZSREKOKSA-N 0 3 341.835 2.870 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1F ZINC000731403229 726858377 /nfs/dbraw/zinc/85/83/77/726858377.db2.gz HKSVAUOJCQIILJ-HNNXBMFYSA-N 0 3 336.455 2.565 10 10 EFCEHN CC[N@H+](C)Cc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000915400444 726974320 /nfs/dbraw/zinc/97/43/20/726974320.db2.gz LHLSUUGOXQMUDJ-UHFFFAOYSA-N 0 3 345.418 2.982 10 10 EFCEHN CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC000915400444 726974322 /nfs/dbraw/zinc/97/43/22/726974322.db2.gz LHLSUUGOXQMUDJ-UHFFFAOYSA-N 0 3 345.418 2.982 10 10 EFCEHN Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000732166682 727000760 /nfs/dbraw/zinc/00/07/60/727000760.db2.gz RISFFOPWPDATJG-KRWDZBQOSA-N 0 3 338.455 2.798 10 10 EFCEHN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000732448968 727081338 /nfs/dbraw/zinc/08/13/38/727081338.db2.gz MNZGBAVJIKPPCD-IBGZPJMESA-N 0 3 342.487 2.665 10 10 EFCEHN Cc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)c(C)n1-c1ccccn1 ZINC000912377194 727703391 /nfs/dbraw/zinc/70/33/91/727703391.db2.gz CWIAJIPJZGOLMU-FQEVSTJZSA-N 0 3 338.455 2.703 10 10 EFCEHN Cc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)c(C)n1-c1ccccn1 ZINC000912377196 727703526 /nfs/dbraw/zinc/70/35/26/727703526.db2.gz CWIAJIPJZGOLMU-HXUWFJFHSA-N 0 3 338.455 2.703 10 10 EFCEHN Cc1cc(C)c(O)c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000164379025 727938145 /nfs/dbraw/zinc/93/81/45/727938145.db2.gz ZCBSRNUUAMAKPV-HXUWFJFHSA-N 0 3 340.467 2.860 10 10 EFCEHN C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001648054281 1089935865 /nfs/dbraw/zinc/93/58/65/1089935865.db2.gz SSABSAUCCRVQOF-GFCCVEGCSA-N 0 3 329.356 2.980 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)CC(F)(F)F)CC2)cc1C ZINC001670756039 1093301299 /nfs/dbraw/zinc/30/12/99/1093301299.db2.gz YOUKJHXETVEIOG-UHFFFAOYSA-N 0 3 330.350 2.694 10 10 EFCEHN COc1ccc(N2CCC(NC(=O)C3(N(C)C)CCCC3)CC2)cc1 ZINC001626480520 1099879204 /nfs/dbraw/zinc/87/92/04/1099879204.db2.gz WKFGSZRHEXHSBB-UHFFFAOYSA-N 0 3 345.487 2.655 10 10 EFCEHN CN(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC(C)(C)C ZINC001631218734 1100382057 /nfs/dbraw/zinc/38/20/57/1100382057.db2.gz BKXOOUXNUTVHFQ-QGZVFWFLSA-N 0 3 348.487 2.878 10 10 EFCEHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCN1C ZINC001637021897 1100751879 /nfs/dbraw/zinc/75/18/79/1100751879.db2.gz ZBGLAISSBVNQGS-GOSISDBHSA-N 0 3 330.476 2.522 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]2C2CCC2)N(C)C)cc1 ZINC001638918199 1100898057 /nfs/dbraw/zinc/89/80/57/1100898057.db2.gz RQELZNLABNFCGX-OTWHNJEPSA-N 0 3 344.503 2.843 10 10 EFCEHN CC[NH+](CC)CCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001652734869 1101537408 /nfs/dbraw/zinc/53/74/08/1101537408.db2.gz IDZZCSHMQCGANG-UHFFFAOYSA-N 0 3 342.867 2.753 10 10 EFCEHN C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1O ZINC001659815218 1102568915 /nfs/dbraw/zinc/56/89/15/1102568915.db2.gz BRONRTQGPYANMJ-LLVKDONJSA-N 0 3 329.787 2.904 10 10 EFCEHN C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1[O-] ZINC001659815218 1102568919 /nfs/dbraw/zinc/56/89/19/1102568919.db2.gz BRONRTQGPYANMJ-LLVKDONJSA-N 0 3 329.787 2.904 10 10 EFCEHN c1ccc([C@@H](CN2CCOCC2)NCc2ccc3c(c2)CCO3)cc1 ZINC000078819854 1104005850 /nfs/dbraw/zinc/00/58/50/1104005850.db2.gz CZDPCWQCLCXNPW-HXUWFJFHSA-N 0 3 338.451 2.785 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H](OC)C3CCC3)CC2)cc1C ZINC001670829168 1104481137 /nfs/dbraw/zinc/48/11/37/1104481137.db2.gz FOYVWPSLXXPHKB-SFHVURJKSA-N 0 3 346.471 2.557 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H](C)[C@@H]3CCCO3)CC2)cc1C ZINC001670850493 1104741173 /nfs/dbraw/zinc/74/11/73/1104741173.db2.gz KVGLUAMMNOEUJY-QAPCUYQASA-N 0 3 346.471 2.557 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001668780160 1105369966 /nfs/dbraw/zinc/36/99/66/1105369966.db2.gz OTRGTAYVKSGYCZ-BDUNBXCCSA-N 0 3 341.455 2.828 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)C2[C@@H]3CCC[C@H]23)cc1C ZINC001482995283 1105500654 /nfs/dbraw/zinc/50/06/54/1105500654.db2.gz QBBUMNFGKWYQHJ-FBODGSASSA-N 0 3 328.456 2.812 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CNCCF)C2CCCC2)cc1 ZINC001671569196 1105661039 /nfs/dbraw/zinc/66/10/39/1105661039.db2.gz ANNJNYUFUXWIQH-HNNXBMFYSA-N 0 3 349.410 2.697 10 10 EFCEHN C[C@H]1[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C ZINC000925318336 1106048399 /nfs/dbraw/zinc/04/83/99/1106048399.db2.gz FKHOJGWTMNIARP-KSSFIOAISA-N 0 3 330.476 2.519 10 10 EFCEHN CC(C)=CCN(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001675055070 1106297996 /nfs/dbraw/zinc/29/79/96/1106297996.db2.gz WOEXYVCMEMQAJC-ZDUSSCGKSA-N 0 3 331.420 2.865 10 10 EFCEHN CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCCN2C)C2CC2)cc1 ZINC001676541195 1106539841 /nfs/dbraw/zinc/53/98/41/1106539841.db2.gz XULYJFUQHHLBPH-IBGZPJMESA-N 0 3 344.503 2.911 10 10 EFCEHN COc1cc(O)c(CN2CCC[C@H](Cc3noc(C)n3)C2)cc1OC ZINC000160130995 239045152 /nfs/dbraw/zinc/04/51/52/239045152.db2.gz JPQGMSLPENUCPP-CYBMUJFWSA-N 0 3 347.415 2.556 10 10 EFCEHN CN(C)C(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000162585654 239093381 /nfs/dbraw/zinc/09/33/81/239093381.db2.gz AYYAEKTUBAKMKK-UHFFFAOYSA-N 0 3 329.488 2.977 10 10 EFCEHN CN(C)c1ccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000191760585 240005246 /nfs/dbraw/zinc/00/52/46/240005246.db2.gz OUOHTZAJRQWTSH-LJQANCHMSA-N 0 3 341.430 2.782 10 10 EFCEHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000193018019 240080568 /nfs/dbraw/zinc/08/05/68/240080568.db2.gz PKOOBHAESTZKJD-HNNXBMFYSA-N 0 3 332.444 2.826 10 10 EFCEHN O=C(c1cccc(O)c1[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000193018005 240081326 /nfs/dbraw/zinc/08/13/26/240081326.db2.gz PKOOBHAESTZKJD-OAHLLOKOSA-N 0 3 332.444 2.826 10 10 EFCEHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000194930358 240189751 /nfs/dbraw/zinc/18/97/51/240189751.db2.gz FLYUIVUPGJQAFN-HNNXBMFYSA-N 0 3 329.448 2.581 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CCN3CCC2CC3)cc1F ZINC000367424660 242380764 /nfs/dbraw/zinc/38/07/64/242380764.db2.gz VBSCWDQLVKEYCJ-UHFFFAOYSA-N 0 3 348.466 2.662 10 10 EFCEHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(F)cc3)cc2)C1 ZINC000054178815 132190138 /nfs/dbraw/zinc/19/01/38/132190138.db2.gz MKNOQWIEVMEMHE-KRWDZBQOSA-N 0 3 341.430 2.817 10 10 EFCEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177411086 544893094 /nfs/dbraw/zinc/89/30/94/544893094.db2.gz ZHFCYTXGJXETNC-IBGZPJMESA-N 0 3 344.503 2.913 10 10 EFCEHN CCOc1cccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000527804255 316466982 /nfs/dbraw/zinc/46/69/82/316466982.db2.gz CMUYHPJVJDEIMB-MRXNPFEDSA-N 0 3 326.396 2.707 10 10 EFCEHN COc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190491222 473295098 /nfs/dbraw/zinc/29/50/98/473295098.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 0 3 341.455 2.750 10 10 EFCEHN COc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190491222 473295104 /nfs/dbraw/zinc/29/51/04/473295104.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 0 3 341.455 2.750 10 10 EFCEHN Cc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000113226188 473369863 /nfs/dbraw/zinc/36/98/63/473369863.db2.gz XESLRRNNUDETRG-RDJZCZTQSA-N 0 3 338.455 2.798 10 10 EFCEHN Cc1ccc(O)c([C@@H](C)NCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185267847 473382142 /nfs/dbraw/zinc/38/21/42/473382142.db2.gz GBJRBCQMYKHVPM-CQSZACIVSA-N 0 3 345.418 2.922 10 10 EFCEHN COc1cc(CNCc2ccc(N(C)C)cc2)cc2c1OCCO2 ZINC000017318096 471961274 /nfs/dbraw/zinc/96/12/74/471961274.db2.gz YQBBWNDNTKKMOK-UHFFFAOYSA-N 0 3 328.412 2.822 10 10 EFCEHN COc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 ZINC000089726380 472494334 /nfs/dbraw/zinc/49/43/34/472494334.db2.gz FVPSBGJJEZEFQJ-KDOFPFPSSA-N 0 3 340.423 2.680 10 10 EFCEHN COc1ccc(O)c(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 ZINC000089726380 472494339 /nfs/dbraw/zinc/49/43/39/472494339.db2.gz FVPSBGJJEZEFQJ-KDOFPFPSSA-N 0 3 340.423 2.680 10 10 EFCEHN C[C@@H](NCc1ccccn1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825362 472574613 /nfs/dbraw/zinc/57/46/13/472574613.db2.gz NEINQZHQAFHFKY-OAHLLOKOSA-N 0 3 328.435 2.823 10 10 EFCEHN CCn1cc(CN2CCCN(Cc3ccc(N(C)C)cc3)CC2)cn1 ZINC000121606322 472879727 /nfs/dbraw/zinc/87/97/27/472879727.db2.gz MVMSCCHOVFECES-UHFFFAOYSA-N 0 3 341.503 2.677 10 10 EFCEHN CCOc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1[O-] ZINC000121775144 472911951 /nfs/dbraw/zinc/91/19/51/472911951.db2.gz FMXYCJWBVKKOCH-UHFFFAOYSA-N 0 3 329.444 2.979 10 10 EFCEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000121908719 472943308 /nfs/dbraw/zinc/94/33/08/472943308.db2.gz NMQQKBDWTQMLAI-SFHVURJKSA-N 0 3 327.476 2.873 10 10 EFCEHN c1cc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n[nH]1 ZINC000092810802 472989459 /nfs/dbraw/zinc/98/94/59/472989459.db2.gz LJHBSVMVLKJSOR-UHFFFAOYSA-N 0 3 326.444 2.626 10 10 EFCEHN CCOc1cccc(CN2CCCN(c3ccc(C)nn3)CC2)c1O ZINC000093271797 473070004 /nfs/dbraw/zinc/07/00/04/473070004.db2.gz WTGNEPZAUQLFRV-UHFFFAOYSA-N 0 3 342.443 2.602 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1[O-] ZINC000093271797 473070011 /nfs/dbraw/zinc/07/00/11/473070011.db2.gz WTGNEPZAUQLFRV-UHFFFAOYSA-N 0 3 342.443 2.602 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)c1[O-] ZINC000093271797 473070016 /nfs/dbraw/zinc/07/00/16/473070016.db2.gz WTGNEPZAUQLFRV-UHFFFAOYSA-N 0 3 342.443 2.602 10 10 EFCEHN CN(C)c1ccc(CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272381 473071411 /nfs/dbraw/zinc/07/14/11/473071411.db2.gz PBLPBGQJVMBDHT-UHFFFAOYSA-N 0 3 325.460 2.643 10 10 EFCEHN c1cc(O[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000093865923 473156146 /nfs/dbraw/zinc/15/61/46/473156146.db2.gz VPEFISKLEJUSKI-HXUWFJFHSA-N 0 3 339.439 2.572 10 10 EFCEHN C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cc(F)ccc1[O-] ZINC000186079069 473586272 /nfs/dbraw/zinc/58/62/72/473586272.db2.gz HOUUFABOXCKHKR-CYBMUJFWSA-N 0 3 344.386 2.998 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186328008 473650791 /nfs/dbraw/zinc/65/07/91/473650791.db2.gz PLIOZKMVQKYTKQ-GOEBONIOSA-N 0 3 342.443 2.589 10 10 EFCEHN CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000186338395 473653455 /nfs/dbraw/zinc/65/34/55/473653455.db2.gz VCFASMSCFOTKKL-JKSUJKDBSA-N 0 3 342.443 2.670 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189050454 474276010 /nfs/dbraw/zinc/27/60/10/474276010.db2.gz NFDZWFQFNQNICP-SUMWQHHRSA-N 0 3 328.387 2.983 10 10 EFCEHN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266287740 474428872 /nfs/dbraw/zinc/42/88/72/474428872.db2.gz VWGZVFRJHCPKCH-MTENODCZSA-N 0 3 347.415 2.700 10 10 EFCEHN Cc1cc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1N(C)C ZINC000271623402 474583054 /nfs/dbraw/zinc/58/30/54/474583054.db2.gz BVQMAWAUCKEMJG-CQSZACIVSA-N 0 3 347.484 2.559 10 10 EFCEHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)c(C)n1-c1ccccn1 ZINC000268101506 474798894 /nfs/dbraw/zinc/79/88/94/474798894.db2.gz HZKCDZWZZWZTIQ-INIZCTEOSA-N 0 3 326.444 2.655 10 10 EFCEHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000293612681 475042869 /nfs/dbraw/zinc/04/28/69/475042869.db2.gz LXNIIODWEFYKLU-LBPRGKRZSA-N 0 3 342.842 2.775 10 10 EFCEHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000293612681 475042875 /nfs/dbraw/zinc/04/28/75/475042875.db2.gz LXNIIODWEFYKLU-LBPRGKRZSA-N 0 3 342.842 2.775 10 10 EFCEHN CN(Cc1cccs1)c1ccc(CN2CCOC[C@H](O)C2)cc1 ZINC000294677535 475078176 /nfs/dbraw/zinc/07/81/76/475078176.db2.gz BIMYBTMZLAJEDU-QGZVFWFLSA-N 0 3 332.469 2.578 10 10 EFCEHN COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000294924060 475092443 /nfs/dbraw/zinc/09/24/43/475092443.db2.gz ZALSOGWSVVFEDP-KGLIPLIRSA-N 0 3 337.416 2.621 10 10 EFCEHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H](O)C(F)F ZINC000295111206 475104642 /nfs/dbraw/zinc/10/46/42/475104642.db2.gz VATRAAOQWVWMFN-CMPLNLGQSA-N 0 3 338.192 2.957 10 10 EFCEHN c1cc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000362622666 476331028 /nfs/dbraw/zinc/33/10/28/476331028.db2.gz OMYXVNCPKFJQBZ-SFHVURJKSA-N 0 3 338.455 2.693 10 10 EFCEHN CCOc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373975128 476446048 /nfs/dbraw/zinc/44/60/48/476446048.db2.gz GLXXOIZHTZHXDU-YZVOILCLSA-N 0 3 335.444 2.949 10 10 EFCEHN COc1ccc(O)c(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1 ZINC000377684825 476519815 /nfs/dbraw/zinc/51/98/15/476519815.db2.gz YGOWAENZLSLMFK-MRXNPFEDSA-N 0 3 332.400 2.797 10 10 EFCEHN CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000365138845 476560784 /nfs/dbraw/zinc/56/07/84/476560784.db2.gz PVLOVZOUNIKBOJ-AWEZNQCLSA-N 0 3 329.400 2.545 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000368038811 477780927 /nfs/dbraw/zinc/78/09/27/477780927.db2.gz DHLNSQYERXRDNW-GFCCVEGCSA-N 0 3 332.835 2.936 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000368038811 477780932 /nfs/dbraw/zinc/78/09/32/477780932.db2.gz DHLNSQYERXRDNW-GFCCVEGCSA-N 0 3 332.835 2.936 10 10 EFCEHN COc1cccc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000368051859 477781637 /nfs/dbraw/zinc/78/16/37/477781637.db2.gz QPNDOEGBODOBCW-HNNXBMFYSA-N 0 3 332.400 2.797 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000527765774 478509433 /nfs/dbraw/zinc/50/94/33/478509433.db2.gz JTZMLRWAFVWKGF-BMIGLBTASA-N 0 3 342.233 2.820 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1[O-] ZINC000527958799 478588080 /nfs/dbraw/zinc/58/80/80/478588080.db2.gz WVTFXWFNBGAKNF-GDLCADMTSA-N 0 3 344.249 2.654 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000174133278 528302709 /nfs/dbraw/zinc/30/27/09/528302709.db2.gz NPMBOOXEVDSQHI-IBGZPJMESA-N 0 3 342.487 2.689 10 10 EFCEHN CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1[O-] ZINC000373559325 546149472 /nfs/dbraw/zinc/14/94/72/546149472.db2.gz BNMHGJMRMNLNHS-SJORKVTESA-N 0 3 332.444 2.521 10 10 EFCEHN CCN1C[C@H](C)N(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765643704 577062102 /nfs/dbraw/zinc/06/21/02/577062102.db2.gz SNQJEPCXCNEYKP-VTLBSYCISA-N 0 3 347.415 2.700 10 10 EFCEHN CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465419 577276236 /nfs/dbraw/zinc/27/62/36/577276236.db2.gz LVNUTUVEZOUPCQ-OAHLLOKOSA-N 0 3 334.441 2.728 10 10 EFCEHN CC(C)[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465419 577276237 /nfs/dbraw/zinc/27/62/37/577276237.db2.gz LVNUTUVEZOUPCQ-OAHLLOKOSA-N 0 3 334.441 2.728 10 10 EFCEHN Fc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1N1CCOCC1 ZINC000769187991 577342892 /nfs/dbraw/zinc/34/28/92/577342892.db2.gz DFBHIGHPXXYXKU-UHFFFAOYSA-N 0 3 344.434 2.765 10 10 EFCEHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769326304 577352464 /nfs/dbraw/zinc/35/24/64/577352464.db2.gz IQGNRUVBLKVLMF-AWEZNQCLSA-N 0 3 325.250 2.823 10 10 EFCEHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000769326304 577352465 /nfs/dbraw/zinc/35/24/65/577352465.db2.gz IQGNRUVBLKVLMF-AWEZNQCLSA-N 0 3 325.250 2.823 10 10 EFCEHN CC[C@H](CO)N1CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000769501939 577367914 /nfs/dbraw/zinc/36/79/14/577367914.db2.gz GFGXJKHZHYCOEZ-QGZVFWFLSA-N 0 3 337.483 2.560 10 10 EFCEHN CCC[C@@H]1CN(Cc2cc(OCC)ccc2O)CCN1CCOC ZINC000770282843 577409903 /nfs/dbraw/zinc/40/99/03/577409903.db2.gz HQSIUFLEPGTNRQ-QGZVFWFLSA-N 0 3 336.476 2.724 10 10 EFCEHN CCOC(=O)N(C)C1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000726966147 577425658 /nfs/dbraw/zinc/42/56/58/577425658.db2.gz CWRGIRVSVYLGBA-UHFFFAOYSA-N 0 3 332.444 2.934 10 10 EFCEHN Cc1cncc(/C=C\C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1 ZINC000772169660 581291915 /nfs/dbraw/zinc/29/19/15/581291915.db2.gz QDLDQDRBCMOONX-JJEJIETFSA-N 0 3 337.423 2.759 10 10 EFCEHN C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1[O-] ZINC000817980027 1276419406 /nfs/dbraw/zinc/41/94/06/1276419406.db2.gz HTGMXVSRJTVJPR-PRHODGIISA-N 0 3 335.192 2.803 10 10 EFCEHN CCOc1ccc(CNCc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850345061 1250442575 /nfs/dbraw/zinc/44/25/75/1250442575.db2.gz HYDUODNWLYTWKJ-UHFFFAOYSA-N 0 3 327.306 2.890 10 10 EFCEHN CCCn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405776 1250468211 /nfs/dbraw/zinc/46/82/11/1250468211.db2.gz DCBUANCFLUDIFI-UHFFFAOYSA-N 0 3 328.460 2.544 10 10 EFCEHN C[C@@H](O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419864 1250477841 /nfs/dbraw/zinc/47/78/41/1250477841.db2.gz IEMLAEPAGWXBIR-FOIQADDNSA-N 0 3 344.430 2.874 10 10 EFCEHN O[C@@H](CNCc1ccc2c(c1)CCCO2)C(F)(F)C(F)(F)F ZINC000922336903 1265617738 /nfs/dbraw/zinc/61/77/38/1265617738.db2.gz GBMRSUCOUSOKTE-LBPRGKRZSA-N 0 3 325.277 2.660 10 10 EFCEHN Fc1cc(CNCc2cccc3c2NCC3)ccc1N1CCOCC1 ZINC000843126410 1260618020 /nfs/dbraw/zinc/61/80/20/1260618020.db2.gz QKICYQIVVSCRET-UHFFFAOYSA-N 0 3 341.430 2.920 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3ccnn3C3CCC3)C2)cc1 ZINC000922238516 1265055262 /nfs/dbraw/zinc/05/52/62/1265055262.db2.gz UYLTWMQFZJQEHO-OAHLLOKOSA-N 0 3 326.444 2.985 10 10 EFCEHN Oc1cc2c(cc1CN1CCCN(CC(F)(F)F)CC1)CCC2 ZINC000738068083 1268309993 /nfs/dbraw/zinc/30/99/93/1268309993.db2.gz WWQPKENDIWVASI-UHFFFAOYSA-N 0 3 328.378 2.951 10 10 EFCEHN COc1cccc([O-])c1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000825294575 1278495497 /nfs/dbraw/zinc/49/54/97/1278495497.db2.gz UEXIRXDPEDAASN-UHFFFAOYSA-N 0 3 332.366 2.859 10 10 EFCEHN COc1cccc([O-])c1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000825294575 1278495498 /nfs/dbraw/zinc/49/54/98/1278495498.db2.gz UEXIRXDPEDAASN-UHFFFAOYSA-N 0 3 332.366 2.859 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971261 1276414710 /nfs/dbraw/zinc/41/47/10/1276414710.db2.gz LLDFHRGWQSPEKP-RVBZMBCESA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971263 1276414729 /nfs/dbraw/zinc/41/47/29/1276414729.db2.gz LLDFHRGWQSPEKP-ZDMBXUJBSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1[O-] ZINC000817980989 1276421604 /nfs/dbraw/zinc/42/16/04/1276421604.db2.gz ORUSBTSSKQNTIH-QPUJVOFHSA-N 0 3 335.192 2.803 10 10 EFCEHN C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110829 1276465318 /nfs/dbraw/zinc/46/53/18/1276465318.db2.gz AXJKBTJFTVDRTR-CRAIPNDOSA-N 0 3 345.487 2.573 10 10 EFCEHN Oc1cc2c(cc1CN1CCC3(CC1)C(F)(F)C3(F)F)OCO2 ZINC000844718090 1279197263 /nfs/dbraw/zinc/19/72/63/1279197263.db2.gz FBNZYPBKZWJNLN-UHFFFAOYSA-N 0 3 333.281 2.987 10 10 EFCEHN COc1cc(Br)cc(C[NH2+]Cc2ncccc2[O-])c1O ZINC000793259119 1279483223 /nfs/dbraw/zinc/48/32/23/1279483223.db2.gz SIKAJYVSLZEHJX-UHFFFAOYSA-N 0 3 339.189 2.554 10 10 EFCEHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@H]1n1cccn1 ZINC000815167232 1287362994 /nfs/dbraw/zinc/36/29/94/1287362994.db2.gz VNJQEMDRGVBIKF-CGTJXYLNSA-N 0 3 332.423 2.597 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000793573366 1279771162 /nfs/dbraw/zinc/77/11/62/1279771162.db2.gz QCWYDWJDQOFGGV-MPXAEWJHSA-N 0 3 325.424 2.827 10 10 EFCEHN CNC(=O)C[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168788 1280045168 /nfs/dbraw/zinc/04/51/68/1280045168.db2.gz VSXIFAYXHNYGJZ-XJKSGUPXSA-N 0 3 328.412 2.929 10 10 EFCEHN CCN1C[C@@H](CN(C)Cc2ccc(N3CCCCC3)cc2)OC1=O ZINC000846766296 1280467452 /nfs/dbraw/zinc/46/74/52/1280467452.db2.gz QSVZTKHEOSUMCI-GOSISDBHSA-N 0 3 331.460 2.949 10 10 EFCEHN COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000808742312 1281891907 /nfs/dbraw/zinc/89/19/07/1281891907.db2.gz OQZABXWCILWWIN-QRWLVFNGSA-N 0 3 343.423 2.879 10 10 EFCEHN COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000808742312 1281891909 /nfs/dbraw/zinc/89/19/09/1281891909.db2.gz OQZABXWCILWWIN-QRWLVFNGSA-N 0 3 343.423 2.879 10 10 EFCEHN O=C1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCN1 ZINC000809565938 1282284154 /nfs/dbraw/zinc/28/41/54/1282284154.db2.gz FEEUKARASOECDL-UHFFFAOYSA-N 0 3 335.451 2.571 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809690210 1282373989 /nfs/dbraw/zinc/37/39/89/1282373989.db2.gz KIQWWJIYLXWSNE-NSHDSACASA-N 0 3 348.340 2.812 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809690210 1282373996 /nfs/dbraw/zinc/37/39/96/1282373996.db2.gz KIQWWJIYLXWSNE-NSHDSACASA-N 0 3 348.340 2.812 10 10 EFCEHN CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000809662639 1282391999 /nfs/dbraw/zinc/39/19/99/1282391999.db2.gz BJXCJWVUIAVEQV-ZDUSSCGKSA-N 0 3 328.416 2.543 10 10 EFCEHN CCOc1ccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000809662639 1282392008 /nfs/dbraw/zinc/39/20/08/1282392008.db2.gz BJXCJWVUIAVEQV-ZDUSSCGKSA-N 0 3 328.416 2.543 10 10 EFCEHN COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000809709981 1282421628 /nfs/dbraw/zinc/42/16/28/1282421628.db2.gz KDZCXMKBEFDUBW-UHFFFAOYSA-N 0 3 326.824 2.922 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@](C)(CO)C(C)C)c1[O-] ZINC000810172959 1282964009 /nfs/dbraw/zinc/96/40/09/1282964009.db2.gz SEJQHMDFNXCJIS-AWEZNQCLSA-N 0 3 332.238 2.660 10 10 EFCEHN CN(C)c1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1F ZINC000810266234 1283081132 /nfs/dbraw/zinc/08/11/32/1283081132.db2.gz XXANKTPIONUSQT-GOSISDBHSA-N 0 3 339.430 2.720 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810347975 1283169329 /nfs/dbraw/zinc/16/93/29/1283169329.db2.gz OVVXSSVTRRYCCB-XIKOKIGWSA-N 0 3 338.423 2.791 10 10 EFCEHN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810347974 1283169450 /nfs/dbraw/zinc/16/94/50/1283169450.db2.gz OVVXSSVTRRYCCB-SGTLLEGYSA-N 0 3 338.423 2.791 10 10 EFCEHN Cc1cc(C)c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000815600507 1287625796 /nfs/dbraw/zinc/62/57/96/1287625796.db2.gz WDKBBKPYHXKYQD-CQSZACIVSA-N 0 3 325.474 2.875 10 10 EFCEHN c1ccc(CN2CCc3cc(CNC4COCCOC4)ccc32)cc1 ZINC000813789558 1286119310 /nfs/dbraw/zinc/11/93/10/1286119310.db2.gz UASRDGBNIVIRPR-UHFFFAOYSA-N 0 3 338.451 2.754 10 10 EFCEHN Cn1ccnc1CN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816504391 1288175455 /nfs/dbraw/zinc/17/54/55/1288175455.db2.gz LPDPAVUBLZGVMF-UHFFFAOYSA-N 0 3 336.439 2.597 10 10 EFCEHN O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824450942 1289654597 /nfs/dbraw/zinc/65/45/97/1289654597.db2.gz CVKREZRWLDCVEX-CQSZACIVSA-N 0 3 326.396 2.820 10 10 EFCEHN O=C1OCCN1C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000824450942 1289654605 /nfs/dbraw/zinc/65/46/05/1289654605.db2.gz CVKREZRWLDCVEX-CQSZACIVSA-N 0 3 326.396 2.820 10 10 EFCEHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635357 1289731254 /nfs/dbraw/zinc/73/12/54/1289731254.db2.gz HKLBZGPCZKMHJN-ZWNOBZJWSA-N 0 3 344.249 2.756 10 10 EFCEHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635357 1289731260 /nfs/dbraw/zinc/73/12/60/1289731260.db2.gz HKLBZGPCZKMHJN-ZWNOBZJWSA-N 0 3 344.249 2.756 10 10 EFCEHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635356 1289732263 /nfs/dbraw/zinc/73/22/63/1289732263.db2.gz HKLBZGPCZKMHJN-MFKMUULPSA-N 0 3 344.249 2.756 10 10 EFCEHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635356 1289732274 /nfs/dbraw/zinc/73/22/74/1289732274.db2.gz HKLBZGPCZKMHJN-MFKMUULPSA-N 0 3 344.249 2.756 10 10 EFCEHN COc1ccc(O)c(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636067 1289733412 /nfs/dbraw/zinc/73/34/12/1289733412.db2.gz LPESJDWLUZFDOM-PKOBYXMFSA-N 0 3 331.387 2.701 10 10 EFCEHN CCOc1ccc(O)c(CN[C@H](CC(=O)NC)c2ccccc2)c1 ZINC000795608168 1290654252 /nfs/dbraw/zinc/65/42/52/1290654252.db2.gz XAANYYULKRYPOQ-QGZVFWFLSA-N 0 3 328.412 2.758 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCCOCC2)cc1C ZINC001273991187 1294058567 /nfs/dbraw/zinc/05/85/67/1294058567.db2.gz ORLOJKYDLXKAIW-WHLIDYPQSA-N 0 3 346.471 2.582 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001273991186 1294059065 /nfs/dbraw/zinc/05/90/65/1294059065.db2.gz ORLOJKYDLXKAIW-OAJJDEHYSA-N 0 3 346.471 2.582 10 10 EFCEHN CN(C)c1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)cc1F ZINC000852411500 1299694321 /nfs/dbraw/zinc/69/43/21/1299694321.db2.gz GNPWVIRPJDITBN-CQSZACIVSA-N 0 3 336.455 2.564 10 10 EFCEHN c1csc(CN(C[C@H]2CNCCO2)c2ccc3c(c2)OCCO3)c1 ZINC000852743029 1299853796 /nfs/dbraw/zinc/85/37/96/1299853796.db2.gz RDTWZYVGYFDPRO-OAHLLOKOSA-N 0 3 346.452 2.514 10 10 EFCEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000853856474 1300311714 /nfs/dbraw/zinc/31/17/14/1300311714.db2.gz ZTXYPWOTFHXDBK-GFCCVEGCSA-N 0 3 342.534 2.797 10 10 EFCEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000853856475 1300311920 /nfs/dbraw/zinc/31/19/20/1300311920.db2.gz ZTXYPWOTFHXDBK-LBPRGKRZSA-N 0 3 342.534 2.797 10 10 EFCEHN Cc1cc(CC(=O)N2CCCN(C)CC2)c(C)n1-c1ccccc1 ZINC000854177061 1300462079 /nfs/dbraw/zinc/46/20/79/1300462079.db2.gz BQSZEEZJEQMGBZ-UHFFFAOYSA-N 0 3 325.456 2.801 10 10 EFCEHN COc1ccc(N2CC[C@H](NC(=O)[C@H](C)N3CCCCCC3)C2)cc1 ZINC000855229640 1300850366 /nfs/dbraw/zinc/85/03/66/1300850366.db2.gz BMQFORKZPFNVQD-IRXDYDNUSA-N 0 3 345.487 2.655 10 10 EFCEHN CN(C)c1ccc(/C=C\CN[C@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432880 1302383180 /nfs/dbraw/zinc/38/31/80/1302383180.db2.gz QFIURTULNZQMPR-KKHYBRAUSA-N 0 3 326.440 2.969 10 10 EFCEHN COc1cc(Br)cc([C@H](C)NCc2ccnn2C)c1O ZINC000848518638 1334770397 /nfs/dbraw/zinc/77/03/97/1334770397.db2.gz LZEVSOYBJQGUOW-VIFPVBQESA-N 0 3 340.221 2.748 10 10 EFCEHN C[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1O ZINC000868170474 1304168557 /nfs/dbraw/zinc/16/85/57/1304168557.db2.gz JENCIPDYDXGQIT-UGSOOPFHSA-N 0 3 341.411 2.936 10 10 EFCEHN CCCn1cc([C@H](C)NC[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026990 1312291938 /nfs/dbraw/zinc/29/19/38/1312291938.db2.gz YCROHFAZMLFXLX-JKSUJKDBSA-N 0 3 343.475 2.874 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)c1[O-] ZINC000903258931 1312514092 /nfs/dbraw/zinc/51/40/92/1312514092.db2.gz DOSOUJFBKVETQQ-GRZMOONWSA-N 0 3 341.249 2.768 10 10 EFCEHN COc1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)cc1 ZINC000179943055 1314721631 /nfs/dbraw/zinc/72/16/31/1314721631.db2.gz CBMVXGHKAMYDGW-UHFFFAOYSA-N 0 3 328.412 2.732 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)N(C)C)cc1 ZINC001251501040 1315351966 /nfs/dbraw/zinc/35/19/66/1315351966.db2.gz MSDWJRHGKZPVNL-KSZLIROESA-N 0 3 344.503 2.653 10 10 EFCEHN CCN(CC)c1ccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000827544521 1315998027 /nfs/dbraw/zinc/99/80/27/1315998027.db2.gz DDIVHKZEKZMWCB-SFHVURJKSA-N 0 3 332.492 2.721 10 10 EFCEHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)CC(F)(F)F ZINC001307722158 1324778786 /nfs/dbraw/zinc/77/87/86/1324778786.db2.gz QCBMAYXVPSNCFF-OAHLLOKOSA-N 0 3 348.409 2.849 10 10 EFCEHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)CC(F)(F)F ZINC001307722158 1324778793 /nfs/dbraw/zinc/77/87/93/1324778793.db2.gz QCBMAYXVPSNCFF-OAHLLOKOSA-N 0 3 348.409 2.849 10 10 EFCEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2ccccc2O)c1 ZINC001308010278 1324789003 /nfs/dbraw/zinc/78/90/03/1324789003.db2.gz KKXNZOHFOBZAFX-LLVKDONJSA-N 0 3 330.340 2.938 10 10 EFCEHN C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001308010641 1324789195 /nfs/dbraw/zinc/78/91/95/1324789195.db2.gz VDJYWPQTZQRGBI-GFCCVEGCSA-N 0 3 329.356 2.614 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2c[nH]cc2C)cc1C ZINC001321393509 1329381799 /nfs/dbraw/zinc/38/17/99/1329381799.db2.gz SMCIFXIUCXKIRN-PLNGDYQASA-N 0 3 327.428 2.716 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3CC(F)(F)C3)CC2)cc1C ZINC001323422777 1329542541 /nfs/dbraw/zinc/54/25/41/1329542541.db2.gz MXTFSKKZPNFVGE-UHFFFAOYSA-N 0 3 338.398 2.787 10 10 EFCEHN CCCN1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373374 1330588824 /nfs/dbraw/zinc/58/88/24/1330588824.db2.gz JVESYRPLQVCAEQ-QFBILLFUSA-N 0 3 345.487 2.655 10 10 EFCEHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccns1 ZINC001329745479 1330732990 /nfs/dbraw/zinc/73/29/90/1330732990.db2.gz LVJGSXZYFXGJNB-ZDUSSCGKSA-N 0 3 334.464 2.885 10 10 EFCEHN CO[C@H]1CC[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738723 1331013237 /nfs/dbraw/zinc/01/32/37/1331013237.db2.gz KEYHOJLNRSHZCS-RDJZCZTQSA-N 0 3 335.467 2.577 10 10 EFCEHN CO[C@@H]1CC[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738602 1331013569 /nfs/dbraw/zinc/01/35/69/1331013569.db2.gz KEYHOJLNRSHZCS-DOTOQJQBSA-N 0 3 335.467 2.577 10 10 EFCEHN COC(=O)c1c(CN(C)CCCCCO)c2cc(F)ccc2n1C ZINC001350320219 1333063847 /nfs/dbraw/zinc/06/38/47/1333063847.db2.gz XHFOOVMBMKPRIP-UHFFFAOYSA-N 0 3 336.407 2.698 10 10 EFCEHN CCCCCCN(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001300633411 1334344649 /nfs/dbraw/zinc/34/46/49/1334344649.db2.gz IPNPKPVYZQOZCY-KRWDZBQOSA-N 0 3 347.503 2.902 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000848526536 1334775533 /nfs/dbraw/zinc/77/55/33/1334775533.db2.gz ATKYHNDVHMHOJT-UWVGGRQHSA-N 0 3 330.222 2.850 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCOC2)c1[O-] ZINC000848528440 1334775934 /nfs/dbraw/zinc/77/59/34/1334775934.db2.gz MCIWJAOJNSFHFN-KOLCDFICSA-N 0 3 330.222 2.993 10 10 EFCEHN CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532918 1334779793 /nfs/dbraw/zinc/77/97/93/1334779793.db2.gz MNJXVNPMTMTNHF-KOLCDFICSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CCC2)c1[O-] ZINC000848543249 1334786099 /nfs/dbraw/zinc/78/60/99/1334786099.db2.gz CDKUSJYNMIDHKE-SNVBAGLBSA-N 0 3 344.249 2.977 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1[O-] ZINC000848544786 1334786808 /nfs/dbraw/zinc/78/68/08/1334786808.db2.gz OLSRIKRVCGFROY-AEJSXWLSSA-N 0 3 332.238 2.973 10 10 EFCEHN COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000848565117 1334796524 /nfs/dbraw/zinc/79/65/24/1334796524.db2.gz LZUNHQOZVNITDT-UHFFFAOYSA-N 0 3 330.222 2.680 10 10 EFCEHN Cn1cnnc1N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000848924797 1334989972 /nfs/dbraw/zinc/98/99/72/1334989972.db2.gz BASSCPVGSUSDKW-UHFFFAOYSA-N 0 3 349.438 2.510 10 10 EFCEHN Cn1cnnc1N1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000848924797 1334989976 /nfs/dbraw/zinc/98/99/76/1334989976.db2.gz BASSCPVGSUSDKW-UHFFFAOYSA-N 0 3 349.438 2.510 10 10 EFCEHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001469657876 1397046374 /nfs/dbraw/zinc/04/63/74/1397046374.db2.gz BJFGTIWNZDCJBO-RDTXWAMCSA-N 0 3 332.492 2.843 10 10 EFCEHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCCN1C ZINC001471508796 1397179812 /nfs/dbraw/zinc/17/98/12/1397179812.db2.gz KLTQOCJKEUWJQU-IBGZPJMESA-N 0 3 344.503 2.913 10 10 EFCEHN CC[C@H](CO)N1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001473199514 1397289329 /nfs/dbraw/zinc/28/93/29/1397289329.db2.gz MQIZTHDKQGBQEV-HXUWFJFHSA-N 0 3 345.531 2.874 10 10 EFCEHN CC/C=C/CCN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494636086 1399409361 /nfs/dbraw/zinc/40/93/61/1399409361.db2.gz TYBBDERIDIXGCK-OPAYYZTASA-N 0 3 343.431 2.867 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H](F)C2)cc1C ZINC001497661512 1401530188 /nfs/dbraw/zinc/53/01/88/1401530188.db2.gz PBYHGJKGANFDMG-DSLCMKTCSA-N 0 3 334.435 2.904 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)CC(C)(F)F)CC2)cc1C ZINC001499338327 1402571773 /nfs/dbraw/zinc/57/17/73/1402571773.db2.gz CXLQZAALDUJKFG-UHFFFAOYSA-N 0 3 326.387 2.787 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC001557290283 1415117958 /nfs/dbraw/zinc/11/79/58/1415117958.db2.gz YKKIXYWBZVWDFN-CABCVRRESA-N 0 3 329.404 2.596 10 10 EFCEHN CCOC(=O)CN(CCCCn1ccnc1C)Cc1ccccc1O ZINC001559930194 1415258759 /nfs/dbraw/zinc/25/87/59/1415258759.db2.gz IGAJYJZZNFZJAP-UHFFFAOYSA-N 0 3 345.443 2.743 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC23CCC(CC2)C3)N(C)C)cc1 ZINC001565452930 1415396026 /nfs/dbraw/zinc/39/60/26/1415396026.db2.gz OFYJNJXDBXQNJV-RVSXGSNBSA-N 0 3 344.503 2.987 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2CCCC3)N(C)C)cc1 ZINC001684612293 1416724388 /nfs/dbraw/zinc/72/43/88/1416724388.db2.gz PXWSTYBXUSQWBY-IMFGXOCKSA-N 0 3 344.503 2.987 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CCCC2)N(C)C)cc1 ZINC001685608811 1416768812 /nfs/dbraw/zinc/76/88/12/1416768812.db2.gz HLQDFAPZXKVZEP-QGZVFWFLSA-N 0 3 332.492 2.987 10 10 EFCEHN COc1cccc(N2CCN(Cc3ccc(OC)cc3O)CC2)c1 ZINC000155980121 1418268637 /nfs/dbraw/zinc/26/86/37/1418268637.db2.gz VZSKGYKNVIBVMD-UHFFFAOYSA-N 0 3 328.412 2.732 10 10 EFCEHN Cc1cc(Br)cc(CN2CCN(C)C(C)(C)C2)c1O ZINC000160967273 1418549342 /nfs/dbraw/zinc/54/93/42/1418549342.db2.gz XBHWCPCBCNGRNV-UHFFFAOYSA-N 0 3 327.266 2.989 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccc(C)n2C)cc1C ZINC001716267871 1418749383 /nfs/dbraw/zinc/74/93/83/1418749383.db2.gz HLTPDNNASOQEBU-WAYWQWQTSA-N 0 3 341.455 2.726 10 10 EFCEHN COc1ccc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)o1 ZINC001716357762 1418798218 /nfs/dbraw/zinc/79/82/18/1418798218.db2.gz UNFMONVITLHTRV-PLNGDYQASA-N 0 3 344.411 2.681 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cncc(C)c3)CC2)cc1C ZINC001716678510 1418956422 /nfs/dbraw/zinc/95/64/22/1418956422.db2.gz IQNVTDJREXFBLL-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccncc3C)CC2)cc1C ZINC001723514468 1424516316 /nfs/dbraw/zinc/51/63/16/1424516316.db2.gz KBRLZZCATPNJAH-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc(Br)ccc1O ZINC000804739298 713456425 /nfs/dbraw/zinc/45/64/25/713456425.db2.gz VDCYJGRALZIQEA-QWRGUYRKSA-N 0 3 341.249 2.644 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)N(C)C)cc1 ZINC000891245549 714131871 /nfs/dbraw/zinc/13/18/71/714131871.db2.gz GJDMEHKYOIDIJZ-WDSOQIARSA-N 0 3 329.488 2.908 10 10 EFCEHN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848528305 715268821 /nfs/dbraw/zinc/26/88/21/715268821.db2.gz KSQXWQROTCTKAL-YMTOWFKASA-N 0 3 332.238 2.975 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC([C@H](C)O)CC2)c1[O-] ZINC000158601781 715632019 /nfs/dbraw/zinc/63/20/19/715632019.db2.gz LTPGYOFSBPNEGY-ZDUSSCGKSA-N 0 3 343.423 2.925 10 10 EFCEHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000162183307 716736643 /nfs/dbraw/zinc/73/66/43/716736643.db2.gz HDOLMUUQUPBGEZ-UHFFFAOYSA-N 0 3 340.423 2.884 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1[O-] ZINC000895678553 724249112 /nfs/dbraw/zinc/24/91/12/724249112.db2.gz VXCLHERAEAPIBW-VIFPVBQESA-N 0 3 349.683 2.702 10 10 EFCEHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000311399102 718671894 /nfs/dbraw/zinc/67/18/94/718671894.db2.gz FHQVTWUFEOFSQR-CQSZACIVSA-N 0 3 325.250 2.681 10 10 EFCEHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000311399102 718671899 /nfs/dbraw/zinc/67/18/99/718671899.db2.gz FHQVTWUFEOFSQR-CQSZACIVSA-N 0 3 325.250 2.681 10 10 EFCEHN COC(=O)c1c(CN(CCCCO)C2CC2)c2cc(F)ccc2n1C ZINC000894020680 720221891 /nfs/dbraw/zinc/22/18/91/720221891.db2.gz LTNQXDIQVRVHNL-UHFFFAOYSA-N 0 3 348.418 2.841 10 10 EFCEHN COC(=O)c1c(CN2CCC[C@H]2C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894034325 720234752 /nfs/dbraw/zinc/23/47/52/720234752.db2.gz REDGCFCTIQSHGQ-OCCSQVGLSA-N 0 3 348.418 2.839 10 10 EFCEHN COC(=O)c1c(CN2CCC[C@@H]2C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894034326 720234939 /nfs/dbraw/zinc/23/49/39/720234939.db2.gz REDGCFCTIQSHGQ-TZMCWYRMSA-N 0 3 348.418 2.839 10 10 EFCEHN Cc1noc2ncc(CNCc3ccc(N4CCOCC4)cc3)cc12 ZINC000894199745 721193467 /nfs/dbraw/zinc/19/34/67/721193467.db2.gz FESHPUQXJOVCPH-UHFFFAOYSA-N 0 3 338.411 2.658 10 10 EFCEHN COC(=O)c1c(CN[C@H](CO)CC2CCC2)c2cc(F)ccc2n1C ZINC000894833931 722879913 /nfs/dbraw/zinc/87/99/13/722879913.db2.gz NWWIWQHHUPRSGS-AWEZNQCLSA-N 0 3 348.418 2.745 10 10 EFCEHN COC(=O)c1c(CNC[C@H](OC)C2CC2)c2cc(F)ccc2n1C ZINC000894861269 722911785 /nfs/dbraw/zinc/91/17/85/722911785.db2.gz DDGSJIALIADTAB-INIZCTEOSA-N 0 3 334.391 2.619 10 10 EFCEHN CC[C@@H]1[C@H](CO)CCN1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881362 722937414 /nfs/dbraw/zinc/93/74/14/722937414.db2.gz OQGUHXHKTUEPIX-BLLLJJGKSA-N 0 3 348.418 2.697 10 10 EFCEHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000896265543 723227561 /nfs/dbraw/zinc/22/75/61/723227561.db2.gz JTXUMXJGBSAXDN-LBPRGKRZSA-N 0 3 332.425 2.527 10 10 EFCEHN COC(=O)c1c(CN[C@@H]2C[C@H](C)O[C@@H]2C)c2cc(F)ccc2n1C ZINC000895440126 724134720 /nfs/dbraw/zinc/13/47/20/724134720.db2.gz OOXIOBCVLOZTPL-FIXISWKDSA-N 0 3 334.391 2.760 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccccc2F)c1[O-] ZINC000895749036 724293959 /nfs/dbraw/zinc/29/39/59/724293959.db2.gz KFZOQBFCNUEUQD-CQSZACIVSA-N 0 3 339.794 2.887 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1[O-] ZINC000895749035 724294055 /nfs/dbraw/zinc/29/40/55/724294055.db2.gz KFZOQBFCNUEUQD-AWEZNQCLSA-N 0 3 339.794 2.887 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1[O-] ZINC000895753898 724299026 /nfs/dbraw/zinc/29/90/26/724299026.db2.gz VXYPASWICXTCFO-HNNXBMFYSA-N 0 3 339.794 2.887 10 10 EFCEHN COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCOC1 ZINC000895854335 724353653 /nfs/dbraw/zinc/35/36/53/724353653.db2.gz KFHSYHSRALOPCJ-FZMZJTMJSA-N 0 3 329.824 2.585 10 10 EFCEHN COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCOC1 ZINC000895854333 724353752 /nfs/dbraw/zinc/35/37/52/724353752.db2.gz KFHSYHSRALOPCJ-BXUZGUMPSA-N 0 3 329.824 2.585 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000732450256 727084033 /nfs/dbraw/zinc/08/40/33/727084033.db2.gz PXTLOEAVOILBPX-IBGZPJMESA-N 0 3 344.503 2.911 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000182345187 728108778 /nfs/dbraw/zinc/10/87/78/728108778.db2.gz QJYAHKUWTLFLGY-SNVBAGLBSA-N 0 3 336.338 2.968 10 10 EFCEHN CCN1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000174237939 728655816 /nfs/dbraw/zinc/65/58/16/728655816.db2.gz HCMWRGDLOBDOPH-HNNXBMFYSA-N 0 3 331.460 2.555 10 10 EFCEHN Cc1ccc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)cn1 ZINC000782940444 1094505646 /nfs/dbraw/zinc/50/56/46/1094505646.db2.gz FRUIPZLVGWTAOD-IBGZPJMESA-N 0 3 340.423 2.901 10 10 EFCEHN COCC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000782959933 1094581702 /nfs/dbraw/zinc/58/17/02/1094581702.db2.gz DKATZEQRUFCFQD-OAHLLOKOSA-N 0 3 331.412 2.791 10 10 EFCEHN COCC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000782959933 1094581709 /nfs/dbraw/zinc/58/17/09/1094581709.db2.gz DKATZEQRUFCFQD-OAHLLOKOSA-N 0 3 331.412 2.791 10 10 EFCEHN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc(N2CCOCC2)cc1 ZINC000796705359 1094885052 /nfs/dbraw/zinc/88/50/52/1094885052.db2.gz PSRNVHDKZLWFHW-RDTXWAMCSA-N 0 3 326.444 2.975 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001268533274 1097140411 /nfs/dbraw/zinc/14/04/11/1097140411.db2.gz KNNXDBCMKSMPOC-YHOGECKDSA-N 0 3 339.439 2.807 10 10 EFCEHN O=C(NCc1ccc(O)c(O)c1)c1ccc(NC2=NCCC2)cc1 ZINC001622664541 1099535259 /nfs/dbraw/zinc/53/52/59/1099535259.db2.gz XENSFHZMJFAHFN-UHFFFAOYSA-N 0 3 325.368 2.632 10 10 EFCEHN CN(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC(C)(C)C ZINC001631218733 1100381778 /nfs/dbraw/zinc/38/17/78/1100381778.db2.gz BKXOOUXNUTVHFQ-KRWDZBQOSA-N 0 3 348.487 2.878 10 10 EFCEHN CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])CC1 ZINC001632164612 1100456836 /nfs/dbraw/zinc/45/68/36/1100456836.db2.gz ATHJSLFDLYRACK-HNNXBMFYSA-N 0 3 332.444 2.824 10 10 EFCEHN CC(C)CN1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001634386710 1100605771 /nfs/dbraw/zinc/60/57/71/1100605771.db2.gz FQTVQHLOTGKYET-QGZVFWFLSA-N 0 3 331.460 2.598 10 10 EFCEHN CC(C)[C@@H]1C[C@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635301592 1100653168 /nfs/dbraw/zinc/65/31/68/1100653168.db2.gz BLEQXSNMLBYBRQ-WDSOQIARSA-N 0 3 346.519 2.947 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CCC2)N(C)C)cc1 ZINC001638918198 1100898215 /nfs/dbraw/zinc/89/82/15/1100898215.db2.gz RQELZNLABNFCGX-IPMKNSEASA-N 0 3 344.503 2.843 10 10 EFCEHN O=C(NCc1ccc(Nc2ccncc2)cc1)C1=CC(=O)CS1 ZINC001641526886 1101143954 /nfs/dbraw/zinc/14/39/54/1101143954.db2.gz YPTWOXWKNOHJES-UHFFFAOYSA-N 0 3 325.393 2.944 10 10 EFCEHN Cc1cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802185 1101244283 /nfs/dbraw/zinc/24/42/83/1101244283.db2.gz CBXFLDOAAIHLRC-RBUKOAKNSA-N 0 3 345.531 2.872 10 10 EFCEHN O=C(NCc1ccc(O)cc1O)c1ccc(NC2=NCCC2)cc1 ZINC001643103651 1101269377 /nfs/dbraw/zinc/26/93/77/1101269377.db2.gz DMMFFVBWSZBKLU-UHFFFAOYSA-N 0 3 325.368 2.632 10 10 EFCEHN CC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529718 1101514756 /nfs/dbraw/zinc/51/47/56/1101514756.db2.gz WXPQWTQJYMAYLK-KOLCDFICSA-N 0 3 332.238 2.975 10 10 EFCEHN CC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529719 1101515343 /nfs/dbraw/zinc/51/53/43/1101515343.db2.gz WXPQWTQJYMAYLK-MWLCHTKSSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1ccc(N(C)CCN(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC001654947322 1101771099 /nfs/dbraw/zinc/77/10/99/1101771099.db2.gz JDAVOPXIJQVBPY-GOSISDBHSA-N 0 3 342.439 2.903 10 10 EFCEHN CCN(C)c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC001655302727 1101809097 /nfs/dbraw/zinc/80/90/97/1101809097.db2.gz IPMATPCCFCNLQT-WOJBJXKFSA-N 0 3 326.440 2.767 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000925320969 1106382437 /nfs/dbraw/zinc/38/24/37/1106382437.db2.gz NJTMKDSYFBVJBE-YJBOKZPZSA-N 0 3 332.492 2.767 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cc(C)co2)cc1C ZINC001483048410 1106454356 /nfs/dbraw/zinc/45/43/56/1106454356.db2.gz RWFZGTQRKORERL-SNAWJCMRSA-N 0 3 328.412 2.981 10 10 EFCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925328814 1107414211 /nfs/dbraw/zinc/41/42/11/1107414211.db2.gz LEMFFWNAJOUYBN-CRAIPNDOSA-N 0 3 332.492 2.765 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3c(C)ccn3C)CC2)cc1C ZINC001483728912 1108382137 /nfs/dbraw/zinc/38/21/37/1108382137.db2.gz PMDPCSZEDLJZRZ-UHFFFAOYSA-N 0 3 341.455 2.703 10 10 EFCEHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066972236 215100315 /nfs/dbraw/zinc/10/03/15/215100315.db2.gz YGPDLUXYKZGNBV-KRWDZBQOSA-N 0 3 344.434 2.563 10 10 EFCEHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)n1cccn1 ZINC000069372341 215391782 /nfs/dbraw/zinc/39/17/82/215391782.db2.gz QMZULVRIGSMLCD-HUUCEWRRSA-N 0 3 332.423 2.598 10 10 EFCEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000158861616 239017194 /nfs/dbraw/zinc/01/71/94/239017194.db2.gz DYZMJUIJPJTRJB-KSSFIOAISA-N 0 3 340.471 2.948 10 10 EFCEHN COc1cc([O-])c(C[NH+]2CCC(Cn3cccn3)CC2)cc1OC ZINC000160260367 239048387 /nfs/dbraw/zinc/04/83/87/239048387.db2.gz BMIXQEPPASXQSB-UHFFFAOYSA-N 0 3 331.416 2.518 10 10 EFCEHN COc1cc(O)c(CN2CCC(Cn3cccn3)CC2)cc1OC ZINC000160260367 239048393 /nfs/dbraw/zinc/04/83/93/239048393.db2.gz BMIXQEPPASXQSB-UHFFFAOYSA-N 0 3 331.416 2.518 10 10 EFCEHN Cc1ccc(O)c(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191763002 240005568 /nfs/dbraw/zinc/00/55/68/240005568.db2.gz MRTPICJCQCZVNT-KRWDZBQOSA-N 0 3 328.387 2.730 10 10 EFCEHN Cc1ccc(O)c(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191762987 240006209 /nfs/dbraw/zinc/00/62/09/240006209.db2.gz MRTPICJCQCZVNT-QGZVFWFLSA-N 0 3 328.387 2.730 10 10 EFCEHN CCN(C)c1ccc([C@@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1 ZINC000245611183 240258114 /nfs/dbraw/zinc/25/81/14/240258114.db2.gz VOUSNGGAHBKDIQ-QAPCUYQASA-N 0 3 334.460 2.715 10 10 EFCEHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000366730436 242363717 /nfs/dbraw/zinc/36/37/17/242363717.db2.gz ZQUIFKMIUQAJEM-ZBFHGGJFSA-N 0 3 332.444 2.672 10 10 EFCEHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000368009290 242399947 /nfs/dbraw/zinc/39/99/47/242399947.db2.gz WIBSSPLCSHDODQ-MRXNPFEDSA-N 0 3 338.386 2.894 10 10 EFCEHN Cc1ccsc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000095427896 218369735 /nfs/dbraw/zinc/36/97/35/218369735.db2.gz JLKKAAKDKHSWKK-UHFFFAOYSA-N 0 3 333.432 2.535 10 10 EFCEHN Cc1cscc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000095427898 218370394 /nfs/dbraw/zinc/37/03/94/218370394.db2.gz IZVYYNYZVBAXTF-UHFFFAOYSA-N 0 3 333.432 2.535 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N2CCCC2)cc1 ZINC000005098061 210390439 /nfs/dbraw/zinc/39/04/39/210390439.db2.gz FXAAXYFTTPOBPH-KRWDZBQOSA-N 0 3 327.428 2.913 10 10 EFCEHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000174443556 533584656 /nfs/dbraw/zinc/58/46/56/533584656.db2.gz PPGFSECGHMJZKY-HIFRSBDPSA-N 0 3 336.455 2.516 10 10 EFCEHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccsc3)cc2)C1 ZINC000054179230 132190188 /nfs/dbraw/zinc/19/01/88/132190188.db2.gz QKMXFBMEDIBLNI-MRXNPFEDSA-N 0 3 329.469 2.740 10 10 EFCEHN CN1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccccc1 ZINC000270254847 277136609 /nfs/dbraw/zinc/13/66/09/277136609.db2.gz BQNMYGCBOMJSPP-SJLPKXTDSA-N 0 3 325.412 2.637 10 10 EFCEHN [O-]c1ccc(Br)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647528 472950313 /nfs/dbraw/zinc/95/03/13/472950313.db2.gz OGCBZKJPIHNIFC-UHFFFAOYSA-N 0 3 337.221 2.583 10 10 EFCEHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000190430699 473271553 /nfs/dbraw/zinc/27/15/53/473271553.db2.gz BPWUYAGYPNFOEL-WMZOPIPTSA-N 0 3 327.428 2.848 10 10 EFCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190478550 473288671 /nfs/dbraw/zinc/28/86/71/473288671.db2.gz WLSIGAXYNHRHHJ-QGZVFWFLSA-N 0 3 341.455 2.750 10 10 EFCEHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190478550 473288676 /nfs/dbraw/zinc/28/86/76/473288676.db2.gz WLSIGAXYNHRHHJ-QGZVFWFLSA-N 0 3 341.455 2.750 10 10 EFCEHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c([O-])c1 ZINC000184992226 473294460 /nfs/dbraw/zinc/29/44/60/473294460.db2.gz QXITWZQGZHGGRY-APWZRJJASA-N 0 3 340.467 2.770 10 10 EFCEHN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000185279532 473384388 /nfs/dbraw/zinc/38/43/88/473384388.db2.gz DNKVWMRLGVIQDN-ZDUSSCGKSA-N 0 3 331.391 2.614 10 10 EFCEHN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ccncc3)C2)cc1 ZINC000021707307 472003156 /nfs/dbraw/zinc/00/31/56/472003156.db2.gz BRGKFQAZQDURMO-KRWDZBQOSA-N 0 3 338.455 2.680 10 10 EFCEHN COc1ccc(N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000053602572 472023276 /nfs/dbraw/zinc/02/32/76/472023276.db2.gz CAFPJPUTKCMKHY-UHFFFAOYSA-N 0 3 332.366 2.786 10 10 EFCEHN CCc1nc2n(n1)C[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000069922043 472467144 /nfs/dbraw/zinc/46/71/44/472467144.db2.gz KMRUCCDKAOSXQL-QGZVFWFLSA-N 0 3 339.487 2.935 10 10 EFCEHN C[C@@H](NCc1ccncc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825366 472574878 /nfs/dbraw/zinc/57/48/78/472574878.db2.gz JMKKIXUGDPNMEF-OAHLLOKOSA-N 0 3 328.435 2.823 10 10 EFCEHN c1cc(N2CCCCC2)ccc1CNC[C@@H]1CN(C2CC2)CCO1 ZINC000072268813 472642438 /nfs/dbraw/zinc/64/24/38/472642438.db2.gz USXSAGFINZTBPT-HXUWFJFHSA-N 0 3 329.488 2.630 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198187 472648085 /nfs/dbraw/zinc/64/80/85/472648085.db2.gz APIHDQNROAKPDW-QGZVFWFLSA-N 0 3 326.444 2.900 10 10 EFCEHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000120198187 472648089 /nfs/dbraw/zinc/64/80/89/472648089.db2.gz APIHDQNROAKPDW-QGZVFWFLSA-N 0 3 326.444 2.900 10 10 EFCEHN CCn1ncc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000072298363 472657136 /nfs/dbraw/zinc/65/71/36/472657136.db2.gz HMQZCEVLKGZANP-LJQANCHMSA-N 0 3 340.471 2.907 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000120324087 472669374 /nfs/dbraw/zinc/66/93/74/472669374.db2.gz TZBSEFBYNPDWFG-UHFFFAOYSA-N 0 3 328.416 2.657 10 10 EFCEHN CCOc1cccc(CN2CCN(c3cccc(O)c3)CC2)c1O ZINC000121635655 472884275 /nfs/dbraw/zinc/88/42/75/472884275.db2.gz ASRIQIGRHMYVEX-UHFFFAOYSA-N 0 3 328.412 2.819 10 10 EFCEHN COc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121990151 472959409 /nfs/dbraw/zinc/95/94/09/472959409.db2.gz ZXEJJXZVTDTFAI-OAHLLOKOSA-N 0 3 330.432 2.521 10 10 EFCEHN COc1cccc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121990151 472959415 /nfs/dbraw/zinc/95/94/15/472959415.db2.gz ZXEJJXZVTDTFAI-OAHLLOKOSA-N 0 3 330.432 2.521 10 10 EFCEHN COc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121990445 472959485 /nfs/dbraw/zinc/95/94/85/472959485.db2.gz ZXEJJXZVTDTFAI-HNNXBMFYSA-N 0 3 330.432 2.521 10 10 EFCEHN COc1cccc(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121990445 472959489 /nfs/dbraw/zinc/95/94/89/472959489.db2.gz ZXEJJXZVTDTFAI-HNNXBMFYSA-N 0 3 330.432 2.521 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000092814235 472990750 /nfs/dbraw/zinc/99/07/50/472990750.db2.gz AVKRACKTYDOCFL-AWEZNQCLSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000092814235 472990755 /nfs/dbraw/zinc/99/07/55/472990755.db2.gz AVKRACKTYDOCFL-AWEZNQCLSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000092814235 472990761 /nfs/dbraw/zinc/99/07/61/472990761.db2.gz AVKRACKTYDOCFL-AWEZNQCLSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1cccc(CN2CCCN(Cc3cscn3)CC2)c1O ZINC000093016025 473025562 /nfs/dbraw/zinc/02/55/62/473025562.db2.gz AMODQZKSXQZCHH-UHFFFAOYSA-N 0 3 347.484 2.955 10 10 EFCEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000122806822 473060754 /nfs/dbraw/zinc/06/07/54/473060754.db2.gz URAQIMSVJMTWNW-AWEZNQCLSA-N 0 3 329.400 2.808 10 10 EFCEHN c1n[nH]cc1[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000093438148 473108412 /nfs/dbraw/zinc/10/84/12/473108412.db2.gz RDSJIJBFZUEQJE-IBGZPJMESA-N 0 3 326.444 2.974 10 10 EFCEHN C[C@H]1C[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000093644116 473127525 /nfs/dbraw/zinc/12/75/25/473127525.db2.gz AWPAHHQMUUPKNL-GXFFZTMASA-N 0 3 327.812 2.868 10 10 EFCEHN C[C@H]1C[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000093644116 473127530 /nfs/dbraw/zinc/12/75/30/473127530.db2.gz AWPAHHQMUUPKNL-GXFFZTMASA-N 0 3 327.812 2.868 10 10 EFCEHN c1cncc(O[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000093691049 473134611 /nfs/dbraw/zinc/13/46/11/473134611.db2.gz YIGKBFFCNUJKCC-FQEVSTJZSA-N 0 3 339.439 2.572 10 10 EFCEHN c1cncc(O[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000093691047 473134690 /nfs/dbraw/zinc/13/46/90/473134690.db2.gz YIGKBFFCNUJKCC-HXUWFJFHSA-N 0 3 339.439 2.572 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2[O-])ncn1 ZINC000185992690 473566661 /nfs/dbraw/zinc/56/66/61/473566661.db2.gz NRVDRJVGNNBAOU-CABCVRRESA-N 0 3 341.459 2.852 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)cc2[O-])ncn1 ZINC000185992754 473566850 /nfs/dbraw/zinc/56/68/50/473566850.db2.gz NRVDRJVGNNBAOU-LSDHHAIUSA-N 0 3 341.459 2.852 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186327988 473650747 /nfs/dbraw/zinc/65/07/47/473650747.db2.gz PLIOZKMVQKYTKQ-GDBMZVCRSA-N 0 3 342.443 2.589 10 10 EFCEHN CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000186338444 473653838 /nfs/dbraw/zinc/65/38/38/473653838.db2.gz VCFASMSCFOTKKL-CVEARBPZSA-N 0 3 342.443 2.670 10 10 EFCEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000186338412 473654211 /nfs/dbraw/zinc/65/42/11/473654211.db2.gz VCFASMSCFOTKKL-HZPDHXFCSA-N 0 3 342.443 2.670 10 10 EFCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](c1cccs1)N1CCOCC1 ZINC000179572364 473695752 /nfs/dbraw/zinc/69/57/52/473695752.db2.gz WZWRIMGHFXWSPZ-MRXNPFEDSA-N 0 3 332.469 2.959 10 10 EFCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](c1cccs1)N1CCOCC1 ZINC000179572364 473695756 /nfs/dbraw/zinc/69/57/56/473695756.db2.gz WZWRIMGHFXWSPZ-MRXNPFEDSA-N 0 3 332.469 2.959 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000179667158 473705445 /nfs/dbraw/zinc/70/54/45/473705445.db2.gz ABISZAJQFAEPIY-PBWFPOADSA-N 0 3 326.234 2.951 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000179667158 473705449 /nfs/dbraw/zinc/70/54/49/473705449.db2.gz ABISZAJQFAEPIY-PBWFPOADSA-N 0 3 326.234 2.951 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1OC ZINC000179986884 473771306 /nfs/dbraw/zinc/77/13/06/473771306.db2.gz GHMQVRXJJDMVLO-CQSZACIVSA-N 0 3 343.427 2.738 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1OC ZINC000179986884 473771316 /nfs/dbraw/zinc/77/13/16/473771316.db2.gz GHMQVRXJJDMVLO-CQSZACIVSA-N 0 3 343.427 2.738 10 10 EFCEHN COc1cc(O)c(CN2CC[C@H](CNc3ccccn3)C2)cc1OC ZINC000179986884 473771324 /nfs/dbraw/zinc/77/13/24/473771324.db2.gz GHMQVRXJJDMVLO-CQSZACIVSA-N 0 3 343.427 2.738 10 10 EFCEHN COc1cc([O-])c(C[NH+]2CCC(Cc3nccn3C)CC2)cc1OC ZINC000180116126 473803247 /nfs/dbraw/zinc/80/32/47/473803247.db2.gz CQMZTSUPFCXLSE-UHFFFAOYSA-N 0 3 345.443 2.598 10 10 EFCEHN COc1cc(O)c(CN2CCC(Cc3nccn3C)CC2)cc1OC ZINC000180116126 473803252 /nfs/dbraw/zinc/80/32/52/473803252.db2.gz CQMZTSUPFCXLSE-UHFFFAOYSA-N 0 3 345.443 2.598 10 10 EFCEHN Cc1ccc(O)c([C@@H](C)NCc2cccc(N3CCOCC3)n2)c1 ZINC000274812371 473970008 /nfs/dbraw/zinc/97/00/08/473970008.db2.gz VOOADLPDTYWZIC-OAHLLOKOSA-N 0 3 327.428 2.783 10 10 EFCEHN CN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000181268266 474020228 /nfs/dbraw/zinc/02/02/28/474020228.db2.gz WPAOROAGLAPMMS-RSJNPKLMSA-N 0 3 338.407 2.673 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1[O-] ZINC000282502659 474089826 /nfs/dbraw/zinc/08/98/26/474089826.db2.gz SAAKAWPXXWQPPX-HOTGVXAUSA-N 0 3 340.423 2.723 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1[O-] ZINC000282502669 474090460 /nfs/dbraw/zinc/09/04/60/474090460.db2.gz SAAKAWPXXWQPPX-JKSUJKDBSA-N 0 3 340.423 2.723 10 10 EFCEHN CNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000183008654 474305173 /nfs/dbraw/zinc/30/51/73/474305173.db2.gz VLFGENWQAAEIOE-SFHVURJKSA-N 0 3 340.423 2.682 10 10 EFCEHN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266287737 474428892 /nfs/dbraw/zinc/42/88/92/474428892.db2.gz VWGZVFRJHCPKCH-AQGQNPDFSA-N 0 3 347.415 2.700 10 10 EFCEHN CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000248818525 474444833 /nfs/dbraw/zinc/44/48/33/474444833.db2.gz VUUROBRIGAZLED-LPHOPBHVSA-N 0 3 327.472 2.728 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000289969661 474508733 /nfs/dbraw/zinc/50/87/33/474508733.db2.gz ZIJBCCLQFGZSQV-UHFFFAOYSA-N 0 3 331.865 2.801 10 10 EFCEHN CN(C)c1ccc(CN(C(=O)CC2CCN(C)CC2)C2CC2)cc1 ZINC000291400002 474602915 /nfs/dbraw/zinc/60/29/15/474602915.db2.gz DJQJOIBMCJKKEV-UHFFFAOYSA-N 0 3 329.488 2.976 10 10 EFCEHN COc1c([O-])c(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278209929 474604012 /nfs/dbraw/zinc/60/40/12/474604012.db2.gz KCYRROUZURUXDF-HNNXBMFYSA-N 0 3 349.431 2.759 10 10 EFCEHN COc1c([O-])c(C[N@H+]2CCCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278209929 474604015 /nfs/dbraw/zinc/60/40/15/474604015.db2.gz KCYRROUZURUXDF-HNNXBMFYSA-N 0 3 349.431 2.759 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338080 474614551 /nfs/dbraw/zinc/61/45/51/474614551.db2.gz CFLMTIHSJRXEON-HUUCEWRRSA-N 0 3 344.459 2.762 10 10 EFCEHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000293612673 475042828 /nfs/dbraw/zinc/04/28/28/475042828.db2.gz LXNIIODWEFYKLU-GFCCVEGCSA-N 0 3 342.842 2.775 10 10 EFCEHN [O-]c1cc(F)c(Cl)cc1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000293612673 475042832 /nfs/dbraw/zinc/04/28/32/475042832.db2.gz LXNIIODWEFYKLU-GFCCVEGCSA-N 0 3 342.842 2.775 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)OCO2 ZINC000294978198 475094797 /nfs/dbraw/zinc/09/47/97/475094797.db2.gz JNQWBMITCXFMFU-GDBMZVCRSA-N 0 3 328.368 2.526 10 10 EFCEHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H](O)C(F)F ZINC000295111210 475104268 /nfs/dbraw/zinc/10/42/68/475104268.db2.gz VATRAAOQWVWMFN-PWSUYJOCSA-N 0 3 338.192 2.957 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378373426 476703033 /nfs/dbraw/zinc/70/30/33/476703033.db2.gz CVHNKINRLCDPEW-APWZRJJASA-N 0 3 345.443 2.613 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378373426 476703041 /nfs/dbraw/zinc/70/30/41/476703041.db2.gz CVHNKINRLCDPEW-APWZRJJASA-N 0 3 345.443 2.613 10 10 EFCEHN COc1cc(O)c(CN2CCC[C@H](c3ccncn3)C2)cc1OC ZINC000378439695 476709470 /nfs/dbraw/zinc/70/94/70/476709470.db2.gz TUOYLCLXVZJCET-ZDUSSCGKSA-N 0 3 329.400 2.579 10 10 EFCEHN OC1CCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2F)CC1 ZINC000375788057 477006507 /nfs/dbraw/zinc/00/65/07/477006507.db2.gz QHGZRAVWXXCVLW-KRWDZBQOSA-N 0 3 344.434 2.677 10 10 EFCEHN COC(=O)[C@]12C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]1COCC2 ZINC000376016188 477131234 /nfs/dbraw/zinc/13/12/34/477131234.db2.gz VYHQQMIVOPPHNF-MGPUTAFESA-N 0 3 341.407 2.557 10 10 EFCEHN COC(=O)[C@]12C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]1COCC2 ZINC000376016188 477131237 /nfs/dbraw/zinc/13/12/37/477131237.db2.gz VYHQQMIVOPPHNF-MGPUTAFESA-N 0 3 341.407 2.557 10 10 EFCEHN Cc1cncc(/C=C/C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1 ZINC000372095859 477638372 /nfs/dbraw/zinc/63/83/72/477638372.db2.gz QDLDQDRBCMOONX-IJDCCNJMSA-N 0 3 337.423 2.759 10 10 EFCEHN COCC[C@H]1CCCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000372104453 477642620 /nfs/dbraw/zinc/64/26/20/477642620.db2.gz YDAGFHNJPFFWBQ-GOSISDBHSA-N 0 3 347.503 2.507 10 10 EFCEHN Cc1cc(Br)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530179731 477878168 /nfs/dbraw/zinc/87/81/68/477878168.db2.gz WBBKDWMNXUYQPI-CYBMUJFWSA-N 0 3 325.250 2.837 10 10 EFCEHN Cc1cc(Br)c([O-])c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179424 477878125 /nfs/dbraw/zinc/87/81/25/477878125.db2.gz UWOQAOIVTZUAIY-ZDUSSCGKSA-N 0 3 325.250 2.837 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000527805114 478526629 /nfs/dbraw/zinc/52/66/29/478526629.db2.gz IGMXSZAPXFRQTQ-KRWDZBQOSA-N 0 3 326.396 2.707 10 10 EFCEHN CCOCc1cc(CNCC(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000527812553 478533087 /nfs/dbraw/zinc/53/30/87/478533087.db2.gz VSYZVNMNAOVIIP-UHFFFAOYSA-N 0 3 348.487 2.970 10 10 EFCEHN COc1cc([O-])c(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1OC ZINC000529638064 479232959 /nfs/dbraw/zinc/23/29/59/479232959.db2.gz XRKYMMAQAOAYBI-LJQANCHMSA-N 0 3 345.395 2.729 10 10 EFCEHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412411 535765576 /nfs/dbraw/zinc/76/55/76/535765576.db2.gz JHXVDIJEPHKAQF-KXBFYZLASA-N 0 3 345.487 2.573 10 10 EFCEHN CCCN(CCC)c1ccc(CNC[C@@H](C)S(C)(=O)=O)cc1 ZINC000754085910 575387724 /nfs/dbraw/zinc/38/77/24/575387724.db2.gz RVUNYTNFRLEWAK-OAHLLOKOSA-N 0 3 326.506 2.836 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2[O-] ZINC000756778955 575786211 /nfs/dbraw/zinc/78/62/11/575786211.db2.gz HCDQSTXLHBRVFS-RISCZKNCSA-N 0 3 341.448 2.884 10 10 EFCEHN CC(C)Oc1ccc(N(C)CC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000759932334 575957538 /nfs/dbraw/zinc/95/75/38/575957538.db2.gz CECIBSTYGNZSEX-UHFFFAOYSA-N 0 3 345.487 2.653 10 10 EFCEHN C[C@@H](NCCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000760896337 576085866 /nfs/dbraw/zinc/08/58/66/576085866.db2.gz KITOMODDTWGAGO-CQSZACIVSA-N 0 3 348.878 2.803 10 10 EFCEHN CCCNC(=S)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768296266 577264842 /nfs/dbraw/zinc/26/48/42/577264842.db2.gz MRPTYYBDTMQVPS-UHFFFAOYSA-N 0 3 346.544 2.593 10 10 EFCEHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)[C@@H](O)CO2 ZINC000768463293 577275868 /nfs/dbraw/zinc/27/58/68/577275868.db2.gz RDINUNFWAHSMNE-SFHVURJKSA-N 0 3 326.396 2.593 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)[C@H](O)CO2 ZINC000768465810 577276302 /nfs/dbraw/zinc/27/63/02/577276302.db2.gz LYHWDUNZCNUMLX-MAUKXSAKSA-N 0 3 333.428 2.742 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)[C@H](O)CO2 ZINC000768465810 577276303 /nfs/dbraw/zinc/27/63/03/577276303.db2.gz LYHWDUNZCNUMLX-MAUKXSAKSA-N 0 3 333.428 2.742 10 10 EFCEHN CC(C)(C)c1cc(CN2C[C@H](O)C[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000769563190 577372680 /nfs/dbraw/zinc/37/26/80/577372680.db2.gz HAHUXNBRAFTRAE-IYBDPMFKSA-N 0 3 335.488 2.915 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCOC[C@H]2C)c1[O-] ZINC000772823212 581372330 /nfs/dbraw/zinc/37/23/30/581372330.db2.gz JKYMTDAGHHJNGU-CYBMUJFWSA-N 0 3 329.396 2.943 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCCOC[C@H]2C)c1[O-] ZINC000772823212 581372331 /nfs/dbraw/zinc/37/23/31/581372331.db2.gz JKYMTDAGHHJNGU-CYBMUJFWSA-N 0 3 329.396 2.943 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCOC[C@@H]2C)c1[O-] ZINC000772823213 581372337 /nfs/dbraw/zinc/37/23/37/581372337.db2.gz JKYMTDAGHHJNGU-ZDUSSCGKSA-N 0 3 329.396 2.943 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCCOC[C@@H]2C)c1[O-] ZINC000772823213 581372339 /nfs/dbraw/zinc/37/23/39/581372339.db2.gz JKYMTDAGHHJNGU-ZDUSSCGKSA-N 0 3 329.396 2.943 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773853140 581469772 /nfs/dbraw/zinc/46/97/72/581469772.db2.gz YCKJZVBKNGBYDT-ZWKOTPCHSA-N 0 3 334.460 2.685 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681196 581497575 /nfs/dbraw/zinc/49/75/75/581497575.db2.gz ZNGKKHRCUQDICV-ZWKOTPCHSA-N 0 3 347.455 2.814 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681196 581497576 /nfs/dbraw/zinc/49/75/76/581497576.db2.gz ZNGKKHRCUQDICV-ZWKOTPCHSA-N 0 3 347.455 2.814 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000850495887 1250509141 /nfs/dbraw/zinc/50/91/41/1250509141.db2.gz KJNDIDOIDLRVFL-NXMVVUFDSA-N 0 3 339.354 2.980 10 10 EFCEHN C[C@@H]1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367649 1250450802 /nfs/dbraw/zinc/45/08/02/1250450802.db2.gz BFOHOKLCZRAKKP-NVXWUHKLSA-N 0 3 336.501 2.732 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000850387863 1250459084 /nfs/dbraw/zinc/45/90/84/1250459084.db2.gz BQPZFKGAIUERDB-STQMWFEESA-N 0 3 342.233 2.556 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000850485901 1250502296 /nfs/dbraw/zinc/50/22/96/1250502296.db2.gz OUDQXPQUBKCNFD-YPMHNXCESA-N 0 3 341.448 2.884 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1[O-] ZINC000850516927 1250517108 /nfs/dbraw/zinc/51/71/08/1250517108.db2.gz ZOPLCIYIAHPTQC-ZJUUUORDSA-N 0 3 344.249 2.975 10 10 EFCEHN CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000850555440 1250532457 /nfs/dbraw/zinc/53/24/57/1250532457.db2.gz INVQPLMMMCQDMD-NSHDSACASA-N 0 3 331.865 2.972 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]CCN2C[C@H]3CCCCN3C2=O)c2c1c(F)ccc2[O-] ZINC000850561651 1250538222 /nfs/dbraw/zinc/53/82/22/1250538222.db2.gz KOSYJFIWFOCSCH-NFAWXSAZSA-N 0 3 347.434 2.959 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1[O-] ZINC000850571138 1250540745 /nfs/dbraw/zinc/54/07/45/1250540745.db2.gz NCEJXLWLEJHJTQ-RGZBUGHASA-N 0 3 330.222 2.991 10 10 EFCEHN [O-]c1ccc(Br)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843128407 1261188230 /nfs/dbraw/zinc/18/82/30/1261188230.db2.gz LCNFMRYOIGXFAH-CQSZACIVSA-N 0 3 325.250 2.919 10 10 EFCEHN Cc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000733334670 1265174521 /nfs/dbraw/zinc/17/45/21/1265174521.db2.gz OZFHIKSDDQJCIN-KRWDZBQOSA-N 0 3 346.862 2.898 10 10 EFCEHN C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130401 1278424735 /nfs/dbraw/zinc/42/47/35/1278424735.db2.gz XJOYTEHXFQERTC-LRDDRELGSA-N 0 3 346.393 2.743 10 10 EFCEHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC2(CCCC2)O1 ZINC000785520369 1275107905 /nfs/dbraw/zinc/10/79/05/1275107905.db2.gz WQKXYJNZYPWCIG-INIZCTEOSA-N 0 3 333.428 2.742 10 10 EFCEHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC2(CCCC2)O1 ZINC000785520369 1275107908 /nfs/dbraw/zinc/10/79/08/1275107908.db2.gz WQKXYJNZYPWCIG-INIZCTEOSA-N 0 3 333.428 2.742 10 10 EFCEHN CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCC2)O1 ZINC000785520369 1275107911 /nfs/dbraw/zinc/10/79/11/1275107911.db2.gz WQKXYJNZYPWCIG-INIZCTEOSA-N 0 3 333.428 2.742 10 10 EFCEHN C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)c1ccccc1[O-] ZINC000694745037 1275605396 /nfs/dbraw/zinc/60/53/96/1275605396.db2.gz HUNMSTSOFZYEMK-IEBWSBKVSA-N 0 3 339.483 2.859 10 10 EFCEHN CCOc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c([O-])c1 ZINC000787294067 1275736208 /nfs/dbraw/zinc/73/62/08/1275736208.db2.gz DZIYAMBGSQUJRS-UHFFFAOYSA-N 0 3 329.400 2.624 10 10 EFCEHN CCOc1ccc(CN2CCC(Oc3cnccn3)CC2)c(O)c1 ZINC000787294067 1275736214 /nfs/dbraw/zinc/73/62/14/1275736214.db2.gz DZIYAMBGSQUJRS-UHFFFAOYSA-N 0 3 329.400 2.624 10 10 EFCEHN C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1[O-] ZINC000817980991 1276420667 /nfs/dbraw/zinc/42/06/67/1276420667.db2.gz ORUSBTSSKQNTIH-UFBFGSQYSA-N 0 3 335.192 2.803 10 10 EFCEHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000791004532 1277902379 /nfs/dbraw/zinc/90/23/79/1277902379.db2.gz LREBKTZZAIJITD-ZDUSSCGKSA-N 0 3 337.366 2.620 10 10 EFCEHN Cc1cc(CN2CCC(Oc3cnccn3)CC2)ccc1N(C)C ZINC000815104820 1287326719 /nfs/dbraw/zinc/32/67/19/1287326719.db2.gz WBBMTQIDHJNCHO-UHFFFAOYSA-N 0 3 326.444 2.894 10 10 EFCEHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCc2ccccc21 ZINC000844742230 1279211025 /nfs/dbraw/zinc/21/10/25/1279211025.db2.gz NTKMLANUTDKECB-YJYMSZOUSA-N 0 3 325.408 2.980 10 10 EFCEHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCc2ccccc21 ZINC000844742230 1279211030 /nfs/dbraw/zinc/21/10/30/1279211030.db2.gz NTKMLANUTDKECB-YJYMSZOUSA-N 0 3 325.408 2.980 10 10 EFCEHN CNC(=O)C[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168786 1280045402 /nfs/dbraw/zinc/04/54/02/1280045402.db2.gz VSXIFAYXHNYGJZ-CJNGLKHVSA-N 0 3 328.412 2.929 10 10 EFCEHN COc1ccc(N(C)CCN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001144879436 1280347122 /nfs/dbraw/zinc/34/71/22/1280347122.db2.gz QNTBLMLMWZGQOQ-UHFFFAOYSA-N 0 3 335.492 2.568 10 10 EFCEHN CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001175419530 1287422120 /nfs/dbraw/zinc/42/21/20/1287422120.db2.gz WOMKOWDEFFXLPD-LBPRGKRZSA-N 0 3 327.384 2.640 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1[O-] ZINC000872127426 1287436888 /nfs/dbraw/zinc/43/68/88/1287436888.db2.gz SPKLPWZTVNKRQF-QXEWZRGKSA-N 0 3 330.222 2.585 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000809690277 1282374611 /nfs/dbraw/zinc/37/46/11/1282374611.db2.gz MCHWHUUHZWNIHO-LBPRGKRZSA-N 0 3 330.350 2.673 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000809690277 1282374621 /nfs/dbraw/zinc/37/46/21/1282374621.db2.gz MCHWHUUHZWNIHO-LBPRGKRZSA-N 0 3 330.350 2.673 10 10 EFCEHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000809693189 1282378788 /nfs/dbraw/zinc/37/87/88/1282378788.db2.gz PNSMKYLUUXNCBV-TXEJJXNPSA-N 0 3 330.222 2.773 10 10 EFCEHN COc1cc(Br)cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000809693189 1282378799 /nfs/dbraw/zinc/37/87/99/1282378799.db2.gz PNSMKYLUUXNCBV-TXEJJXNPSA-N 0 3 330.222 2.773 10 10 EFCEHN Cc1cc(Br)cc(C[NH2+]CC[C@H](O)C(F)(F)F)c1[O-] ZINC000809743169 1282445544 /nfs/dbraw/zinc/44/55/44/1282445544.db2.gz LYGINWQEAITAAA-JTQLQIEISA-N 0 3 342.155 2.866 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000809965735 1282653553 /nfs/dbraw/zinc/65/35/53/1282653553.db2.gz LUKFWICJTMKJAC-IBGZPJMESA-N 0 3 335.467 2.924 10 10 EFCEHN Cc1cc(CCNC(=O)N(C)CCN(C)C)c(C)n1-c1ccccc1 ZINC000747581680 1282691149 /nfs/dbraw/zinc/69/11/49/1282691149.db2.gz NYNYZBGNMUEBNT-UHFFFAOYSA-N 0 3 342.487 2.840 10 10 EFCEHN CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCOC1 ZINC000812780624 1285412336 /nfs/dbraw/zinc/41/23/36/1285412336.db2.gz KUBFYEJZGGEKLL-LBPRGKRZSA-N 0 3 330.222 2.774 10 10 EFCEHN CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCOC1 ZINC000812780624 1285412341 /nfs/dbraw/zinc/41/23/41/1285412341.db2.gz KUBFYEJZGGEKLL-LBPRGKRZSA-N 0 3 330.222 2.774 10 10 EFCEHN CNC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414333 1288591859 /nfs/dbraw/zinc/59/18/59/1288591859.db2.gz FNOMXXXHZFYIFH-KRWDZBQOSA-N 0 3 340.423 2.539 10 10 EFCEHN CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000817414333 1288591863 /nfs/dbraw/zinc/59/18/63/1288591863.db2.gz FNOMXXXHZFYIFH-KRWDZBQOSA-N 0 3 340.423 2.539 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c([O-])c1 ZINC000822525886 1289009652 /nfs/dbraw/zinc/00/96/52/1289009652.db2.gz PGLCZOUNNKKGGX-IBGZPJMESA-N 0 3 349.471 2.838 10 10 EFCEHN CCN(CC)c1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1F ZINC000824451159 1289656034 /nfs/dbraw/zinc/65/60/34/1289656034.db2.gz KPOYOZGWWIZCEL-INIZCTEOSA-N 0 3 349.450 2.946 10 10 EFCEHN COC[C@@](C)(O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000824559174 1289698605 /nfs/dbraw/zinc/69/86/05/1289698605.db2.gz JFWLJVKANWGYED-FQEVSTJZSA-N 0 3 345.439 2.848 10 10 EFCEHN COc1cccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636517 1289732948 /nfs/dbraw/zinc/73/29/48/1289732948.db2.gz RLDJQXVAWRRYFP-APWZRJJASA-N 0 3 331.387 2.701 10 10 EFCEHN CCOc1cccc(CN[C@H](CC(=O)NC)c2ccccc2)c1O ZINC000795605552 1290652452 /nfs/dbraw/zinc/65/24/52/1290652452.db2.gz OBNUWHTXQRIJFZ-MRXNPFEDSA-N 0 3 328.412 2.758 10 10 EFCEHN COc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC000162661360 1313097270 /nfs/dbraw/zinc/09/72/70/1313097270.db2.gz YIHSNTZELJXJPI-UHFFFAOYSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013181 1295661327 /nfs/dbraw/zinc/66/13/27/1295661327.db2.gz LEFCRWYLUVRAGM-GJZGRUSLSA-N 0 3 341.835 2.897 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013181 1295661336 /nfs/dbraw/zinc/66/13/36/1295661336.db2.gz LEFCRWYLUVRAGM-GJZGRUSLSA-N 0 3 341.835 2.897 10 10 EFCEHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)C[C@@H]1CCCO1 ZINC000851841526 1299428880 /nfs/dbraw/zinc/42/88/80/1299428880.db2.gz VHZFAPANEPWUET-GOEBONIOSA-N 0 3 327.371 2.797 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CC1(F)F)C[C@@H]1CCCO1 ZINC000851841526 1299428883 /nfs/dbraw/zinc/42/88/83/1299428883.db2.gz VHZFAPANEPWUET-GOEBONIOSA-N 0 3 327.371 2.797 10 10 EFCEHN CC1(C)OC[C@H](CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000851841183 1299429348 /nfs/dbraw/zinc/42/93/48/1299429348.db2.gz NSWCLMJKGXDDBT-IRXDYDNUSA-N 0 3 335.444 2.915 10 10 EFCEHN CC1(C)OC[C@H](CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000851841183 1299429352 /nfs/dbraw/zinc/42/93/52/1299429352.db2.gz NSWCLMJKGXDDBT-IRXDYDNUSA-N 0 3 335.444 2.915 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000852413190 1299694796 /nfs/dbraw/zinc/69/47/96/1299694796.db2.gz PZVKGTDFVVLBRP-OLZOCXBDSA-N 0 3 335.448 2.634 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](CCF)C2)cc1 ZINC000852532426 1299740950 /nfs/dbraw/zinc/74/09/50/1299740950.db2.gz HTGCJJOSKLNYLB-INIZCTEOSA-N 0 3 335.467 2.783 10 10 EFCEHN C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(Br)c(F)cc1[O-] ZINC000854227075 1300479415 /nfs/dbraw/zinc/47/94/15/1300479415.db2.gz LGJDNPXJVJEWNX-JUXJKVCFSA-N 0 3 329.213 2.696 10 10 EFCEHN CCOC(=O)[C@@H]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000862352831 1302341753 /nfs/dbraw/zinc/34/17/53/1302341753.db2.gz NECCGQYNBSPWPM-YPMHNXCESA-N 0 3 326.387 2.852 10 10 EFCEHN COC(=O)CC1(NCc2cc(F)c(N(C)C)cc2F)CCCC1 ZINC000862351522 1302343175 /nfs/dbraw/zinc/34/31/75/1302343175.db2.gz PHBLVIRSCMTFIO-UHFFFAOYSA-N 0 3 326.387 2.996 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000866432895 1303637211 /nfs/dbraw/zinc/63/72/11/1303637211.db2.gz FGFXILKDFGCOGE-RISCZKNCSA-N 0 3 339.374 2.845 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCCO)c1[O-] ZINC000848532645 1334780089 /nfs/dbraw/zinc/78/00/89/1334780089.db2.gz KISQZCCFUOAZHB-NXEZZACHSA-N 0 3 332.238 2.975 10 10 EFCEHN C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccccc1O ZINC000868173307 1304170654 /nfs/dbraw/zinc/17/06/54/1304170654.db2.gz SYHLEQBOSRNZRT-GFCCVEGCSA-N 0 3 327.384 2.757 10 10 EFCEHN Oc1cc2c(cc1CN1CC[C@](F)(c3ccccc3)C1)[C@H](O)CO2 ZINC000800858606 1308560239 /nfs/dbraw/zinc/56/02/39/1308560239.db2.gz BNQUYNLYTMLTEF-IEBWSBKVSA-N 0 3 329.371 2.889 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)/C=C/c3ccc[nH]3)CC2)cc1C ZINC001277044338 1311524871 /nfs/dbraw/zinc/52/48/71/1311524871.db2.gz ZOSLKCBZIAEPEL-SOFGYWHQSA-N 0 3 339.439 2.784 10 10 EFCEHN CCCn1cc([C@@H](C)NC[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026989 1312292316 /nfs/dbraw/zinc/29/23/16/1312292316.db2.gz YCROHFAZMLFXLX-HZPDHXFCSA-N 0 3 343.475 2.874 10 10 EFCEHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827544514 1315997324 /nfs/dbraw/zinc/99/73/24/1315997324.db2.gz CXGQSPBYXBPVSI-LJQANCHMSA-N 0 3 344.503 2.865 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NCCC2CCN(CCF)CC2)cc1 ZINC001319043905 1328769416 /nfs/dbraw/zinc/76/94/16/1328769416.db2.gz MIPLODJKGLBLEA-UHFFFAOYSA-N 0 3 349.410 2.650 10 10 EFCEHN CC(C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CCCCC1 ZINC001293952534 1322385010 /nfs/dbraw/zinc/38/50/10/1322385010.db2.gz CITCMMYTLIMBSM-IBGZPJMESA-N 0 3 345.487 2.989 10 10 EFCEHN CN(C)c1ccc(CNC(=O)CN2CC=CC23CCCCC3)cc1 ZINC001308170227 1324797764 /nfs/dbraw/zinc/79/77/64/1324797764.db2.gz DUFCHEPNHJXLMK-UHFFFAOYSA-N 0 3 327.472 2.944 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C[C@@H](C)SC)CC2)cc1C ZINC001323423820 1329542927 /nfs/dbraw/zinc/54/29/27/1329542927.db2.gz KWCYLWIVFPWXIY-CQSZACIVSA-N 0 3 336.501 2.884 10 10 EFCEHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000847474254 1333768828 /nfs/dbraw/zinc/76/88/28/1333768828.db2.gz IINYXOXGNPCWOM-KRWDZBQOSA-N 0 3 329.488 2.881 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1[O-] ZINC000848523971 1334772476 /nfs/dbraw/zinc/77/24/76/1334772476.db2.gz PAHZNVXVAJARRR-CMPLNLGQSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCn2ccnc2)c1[O-] ZINC000848514227 1334768478 /nfs/dbraw/zinc/76/84/78/1334768478.db2.gz LKQNXEWCKWWYAI-SNVBAGLBSA-N 0 3 340.221 2.711 10 10 EFCEHN Cc1cc(C(=O)CON=C(N)[C@H]2C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517364 1334769018 /nfs/dbraw/zinc/76/90/18/1334769018.db2.gz DJPSIOUZCFIAIB-HZMBPMFUSA-N 0 3 344.390 2.965 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCC2)c1[O-] ZINC000848528198 1334776288 /nfs/dbraw/zinc/77/62/88/1334776288.db2.gz KHMYEESTQRYATQ-SECBINFHSA-N 0 3 330.222 2.729 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCCO)c1[O-] ZINC000848532647 1334779867 /nfs/dbraw/zinc/77/98/67/1334779867.db2.gz KISQZCCFUOAZHB-VHSXEESVSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1[O-] ZINC000848541659 1334785518 /nfs/dbraw/zinc/78/55/18/1334785518.db2.gz SJGZPYIURVQLMQ-RKDXNWHRSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c1[O-] ZINC000848544787 1334786580 /nfs/dbraw/zinc/78/65/80/1334786580.db2.gz OLSRIKRVCGFROY-BBBLOLIVSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)O)c1[O-] ZINC000848546233 1334787990 /nfs/dbraw/zinc/78/79/90/1334787990.db2.gz VYHNSBGVELAYDM-SECBINFHSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCCCO)c1[O-] ZINC000848548935 1334788536 /nfs/dbraw/zinc/78/85/36/1334788536.db2.gz HOMLFUUYVLRVEX-SNVBAGLBSA-N 0 3 332.238 2.977 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1[O-] ZINC000848552967 1334791361 /nfs/dbraw/zinc/79/13/61/1334791361.db2.gz GXCYMDRPROFQFO-SNVBAGLBSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1[O-] ZINC000848553594 1334791861 /nfs/dbraw/zinc/79/18/61/1334791861.db2.gz WKHVEUCMAAPKRS-ZANVPECISA-N 0 3 344.249 2.975 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(=O)Nc1ccccc1F ZINC001460641076 1396240473 /nfs/dbraw/zinc/24/04/73/1396240473.db2.gz XIUDANQFDDWCNQ-NWDGAFQWSA-N 0 3 345.374 2.919 10 10 EFCEHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001479377618 1397708293 /nfs/dbraw/zinc/70/82/93/1397708293.db2.gz WNIFQUPWQQVZMR-MAUKXSAKSA-N 0 3 330.476 2.521 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3CCCC[C@H]32)N(C)C)cc1 ZINC001479532983 1397752960 /nfs/dbraw/zinc/75/29/60/1397752960.db2.gz HGGJGVSJZIOSAV-QRQLOZEOSA-N 0 3 344.503 2.939 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H](F)C2)cc1C ZINC001497661518 1401530168 /nfs/dbraw/zinc/53/01/68/1401530168.db2.gz PBYHGJKGANFDMG-MULDZMIYSA-N 0 3 334.435 2.904 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3occc3C)CC2)cc1C ZINC001499158155 1402500862 /nfs/dbraw/zinc/50/08/62/1402500862.db2.gz LALJRLJLKICLGK-UHFFFAOYSA-N 0 3 328.412 2.957 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC(C)(C)C2)N(C)C)cc1 ZINC001565110455 1415390171 /nfs/dbraw/zinc/39/01/71/1415390171.db2.gz ZZLKIUHTKMREJZ-QGZVFWFLSA-N 0 3 332.492 2.843 10 10 EFCEHN CC[C@@H](F)CNC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322601 1416476611 /nfs/dbraw/zinc/47/66/11/1416476611.db2.gz OXUPUXZBYDIGHG-WCQYABFASA-N 0 3 337.399 2.647 10 10 EFCEHN CC(C)C[C@@H](CNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568339524 1416482115 /nfs/dbraw/zinc/48/21/15/1416482115.db2.gz VUZFOBHQFCBYGD-AWEZNQCLSA-N 0 3 337.399 2.553 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NOC2CCCCC2)N(C)C)cc1 ZINC001686184306 1416791646 /nfs/dbraw/zinc/79/16/46/1416791646.db2.gz FZVZYTBDTMBJGP-SFHVURJKSA-N 0 3 348.491 2.919 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NCC2(NC/C=C\Cl)CCC2)cc1 ZINC001700142847 1417582490 /nfs/dbraw/zinc/58/24/90/1417582490.db2.gz GOOCBRNDBOLLCP-KURKSOQASA-N 0 3 349.822 2.844 10 10 EFCEHN COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000154877166 1418264745 /nfs/dbraw/zinc/26/47/45/1418264745.db2.gz DCZMHPKCVQEEHJ-UHFFFAOYSA-N 0 3 336.432 2.890 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)C2(CF)CCC2)cc1C ZINC001716346200 1418789489 /nfs/dbraw/zinc/78/94/89/1418789489.db2.gz HDZDDUFBCGTLJM-ARJAWSKDSA-N 0 3 334.435 2.905 10 10 EFCEHN CCCCCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001723485396 1424510793 /nfs/dbraw/zinc/51/07/93/1424510793.db2.gz WZNCAHWIVTWZLC-HNNXBMFYSA-N 0 3 331.420 2.843 10 10 EFCEHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000047144605 714087885 /nfs/dbraw/zinc/08/78/85/714087885.db2.gz HVCLFQQQBJXRNJ-AWEZNQCLSA-N 0 3 340.427 2.855 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000052552459 716295681 /nfs/dbraw/zinc/29/56/81/716295681.db2.gz XFUMQLPLIBDNTJ-KRWDZBQOSA-N 0 3 332.492 2.816 10 10 EFCEHN O=C(NCCN1CCCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895678654 724249095 /nfs/dbraw/zinc/24/90/95/724249095.db2.gz BRLMLDMFMOVVFG-UHFFFAOYSA-N 0 3 334.441 2.918 10 10 EFCEHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCN1C ZINC000917524131 728750766 /nfs/dbraw/zinc/75/07/66/728750766.db2.gz WNTAAWAOZLXNGG-QFBILLFUSA-N 0 3 344.503 2.815 10 10 EFCEHN C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186198710 720450101 /nfs/dbraw/zinc/45/01/01/720450101.db2.gz VGIFOJRBZCYFCQ-CHWSQXEVSA-N 0 3 341.386 2.981 10 10 EFCEHN CC[C@@H](C)[C@H](O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250443 721740241 /nfs/dbraw/zinc/74/02/41/721740241.db2.gz JRSPLLQLVYFROB-BDJLRTHQSA-N 0 3 336.407 2.601 10 10 EFCEHN COC(=O)c1c(CNCCOC(F)(F)F)c2cc(F)ccc2n1C ZINC000894540254 722776144 /nfs/dbraw/zinc/77/61/44/722776144.db2.gz GNRWAMFTEIKIPB-UHFFFAOYSA-N 0 3 348.296 2.730 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1[O-] ZINC000895591100 724218027 /nfs/dbraw/zinc/21/80/27/724218027.db2.gz IZTMVJOLWMLRHT-LBPRGKRZSA-N 0 3 325.792 2.588 10 10 EFCEHN O=C(NCc1c(O)cccc1F)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000913892150 725927365 /nfs/dbraw/zinc/92/73/65/725927365.db2.gz JIQOTRQAHDWPCJ-HNNXBMFYSA-N 0 3 343.402 2.605 10 10 EFCEHN C[NH+](C)CCCCCCCNC(=O)NCc1c([O-])cccc1F ZINC000914401167 726278337 /nfs/dbraw/zinc/27/83/37/726278337.db2.gz DKZBAQPMVJZYLS-UHFFFAOYSA-N 0 3 325.428 2.843 10 10 EFCEHN CC(C)[NH+](CCCNC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000921149876 729264821 /nfs/dbraw/zinc/26/48/21/729264821.db2.gz AYVLBJHDEOJIBT-UHFFFAOYSA-N 0 3 325.428 2.839 10 10 EFCEHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000245856247 729709688 /nfs/dbraw/zinc/70/96/88/729709688.db2.gz DPEZIRQMYKFVEG-RISCZKNCSA-N 0 3 325.250 2.823 10 10 EFCEHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000245856247 729709689 /nfs/dbraw/zinc/70/96/89/729709689.db2.gz DPEZIRQMYKFVEG-RISCZKNCSA-N 0 3 325.250 2.823 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C[C@H]3CCCCO3)CC2)cc1C ZINC001569394710 1085176553 /nfs/dbraw/zinc/17/65/53/1085176553.db2.gz PHEFGQKLXXKTFT-QGZVFWFLSA-N 0 3 346.471 2.701 10 10 EFCEHN CCc1nc(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)co1 ZINC001569396566 1085178644 /nfs/dbraw/zinc/17/86/44/1085178644.db2.gz ISBSCXGGXNCIBV-UHFFFAOYSA-N 0 3 343.427 2.606 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1[O-] ZINC000690797456 1094461503 /nfs/dbraw/zinc/46/15/03/1094461503.db2.gz AKWDPLQITPZEGZ-DGCLKSJQSA-N 0 3 326.234 2.931 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1[O-] ZINC000690797456 1094461508 /nfs/dbraw/zinc/46/15/08/1094461508.db2.gz AKWDPLQITPZEGZ-DGCLKSJQSA-N 0 3 326.234 2.931 10 10 EFCEHN CCc1ccnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC001616858351 1099197486 /nfs/dbraw/zinc/19/74/86/1099197486.db2.gz KZFRWBSPJFTRLN-LJQANCHMSA-N 0 3 340.471 2.743 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)cn2C)N(C)C)cc1 ZINC001637004702 1100750124 /nfs/dbraw/zinc/75/01/24/1100750124.db2.gz LZFBSTCXCWBWBJ-QGZVFWFLSA-N 0 3 348.878 2.777 10 10 EFCEHN CN(C)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 ZINC001639071050 1100910343 /nfs/dbraw/zinc/91/03/43/1100910343.db2.gz OJTJJEHVZNJRFU-VMPITWQZSA-N 0 3 330.359 2.950 10 10 EFCEHN CC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848529717 1101515594 /nfs/dbraw/zinc/51/55/94/1101515594.db2.gz WXPQWTQJYMAYLK-GXSJLCMTSA-N 0 3 332.238 2.975 10 10 EFCEHN CC(C)n1ccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001653421329 1101620587 /nfs/dbraw/zinc/62/05/87/1101620587.db2.gz LLUADSSEOQJZKY-KRWDZBQOSA-N 0 3 343.475 2.563 10 10 EFCEHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](C3CCC3)C2)cc1 ZINC001655118249 1101786162 /nfs/dbraw/zinc/78/61/62/1101786162.db2.gz JWXATTJCVTXTNH-GOSISDBHSA-N 0 3 329.488 2.881 10 10 EFCEHN Cc1cc([O-])c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c(Cl)c1 ZINC000840873631 1101977257 /nfs/dbraw/zinc/97/72/57/1101977257.db2.gz CTBSLBTWNSQRRR-KRWDZBQOSA-N 0 3 339.911 2.716 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)[C@@H](O)CO2 ZINC000905678819 1103495078 /nfs/dbraw/zinc/49/50/78/1103495078.db2.gz RBCQQAXFYYNYQW-JSGCOSHPSA-N 0 3 347.308 2.684 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)[C@@H](O)CO2 ZINC000905678819 1103495083 /nfs/dbraw/zinc/49/50/83/1103495083.db2.gz RBCQQAXFYYNYQW-JSGCOSHPSA-N 0 3 347.308 2.684 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2csnc2C)cc1C ZINC001668785482 1105370501 /nfs/dbraw/zinc/37/05/01/1105370501.db2.gz BXBRDCABMALKFY-SNAWJCMRSA-N 0 3 345.468 2.844 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001668780162 1105370719 /nfs/dbraw/zinc/37/07/19/1105370719.db2.gz OTRGTAYVKSGYCZ-LAQIPUCWSA-N 0 3 341.455 2.828 10 10 EFCEHN CCc1nc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)co1 ZINC001668786485 1105371944 /nfs/dbraw/zinc/37/19/44/1105371944.db2.gz NDVSWHVCONRLIW-AATRIKPKSA-N 0 3 343.427 2.630 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2c(C)ccn2C)cc1C ZINC001668790313 1105373245 /nfs/dbraw/zinc/37/32/45/1105373245.db2.gz CTCGIJNBMZQKGX-WAYWQWQTSA-N 0 3 341.455 2.726 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)N[C@H](CNCCF)C2CCCC2)cc1 ZINC001671569197 1105660986 /nfs/dbraw/zinc/66/09/86/1105660986.db2.gz ANNJNYUFUXWIQH-OAHLLOKOSA-N 0 3 349.410 2.697 10 10 EFCEHN CC(C)=CCN(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001675055069 1106297377 /nfs/dbraw/zinc/29/73/77/1106297377.db2.gz WOEXYVCMEMQAJC-CYBMUJFWSA-N 0 3 331.420 2.865 10 10 EFCEHN COc1ccc(CN[C@@H](CO)CNC(=O)C2CCCCCC2)cc1C ZINC001676511451 1106538263 /nfs/dbraw/zinc/53/82/63/1106538263.db2.gz SZXLIOVCABCGRM-GOSISDBHSA-N 0 3 348.487 2.541 10 10 EFCEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1CCCCN1C ZINC001682101676 1108569155 /nfs/dbraw/zinc/56/91/55/1108569155.db2.gz ULRCUQBZBGWCDC-QFBILLFUSA-N 0 3 346.519 2.776 10 10 EFCEHN COc1ccc([C@@H](NC(C)C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000899174840 1109235353 /nfs/dbraw/zinc/23/53/53/1109235353.db2.gz ZZLMBOCUVMKWGK-LJQANCHMSA-N 0 3 340.423 2.982 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)Cc3ccco3)CC2)cc1C ZINC001483777384 1112425576 /nfs/dbraw/zinc/42/55/76/1112425576.db2.gz XGSVQEPWYUZOKT-UHFFFAOYSA-N 0 3 328.412 2.578 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cc(Cl)no3)CC2)cc1C ZINC001483786939 1112449198 /nfs/dbraw/zinc/44/91/98/1112449198.db2.gz JPJNRVPDPRWFGP-UHFFFAOYSA-N 0 3 349.818 2.697 10 10 EFCEHN CC[C@H](NCc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178052588 529632490 /nfs/dbraw/zinc/63/24/90/529632490.db2.gz MFIJBZUQDUIUNY-SFHVURJKSA-N 0 3 336.443 2.969 10 10 EFCEHN CN(C)c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162632381 529780559 /nfs/dbraw/zinc/78/05/59/529780559.db2.gz UVNQYMYGVOEKGN-UHFFFAOYSA-N 0 3 329.488 2.977 10 10 EFCEHN COc1cc(O)c(CN2CCC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000160263444 239046646 /nfs/dbraw/zinc/04/66/46/239046646.db2.gz ZQFPOEHTSIAPDP-HNNXBMFYSA-N 0 3 331.416 2.751 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943080 240192812 /nfs/dbraw/zinc/19/28/12/240192812.db2.gz OCBNPMUKEBODND-CQSZACIVSA-N 0 3 346.431 2.620 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943080 240192821 /nfs/dbraw/zinc/19/28/21/240192821.db2.gz OCBNPMUKEBODND-CQSZACIVSA-N 0 3 346.431 2.620 10 10 EFCEHN C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000248383682 240288870 /nfs/dbraw/zinc/28/88/70/240288870.db2.gz AXSHFHJWRGMSMM-RYQLBKOJSA-N 0 3 326.440 2.678 10 10 EFCEHN C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1[O-] ZINC000248387769 240289667 /nfs/dbraw/zinc/28/96/67/240289667.db2.gz PWJZESALXKBREP-QRFRQXIXSA-N 0 3 340.467 2.926 10 10 EFCEHN CCOC(=O)c1csc(CC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000296335741 241083943 /nfs/dbraw/zinc/08/39/43/241083943.db2.gz GPQGPXWDPCHWDS-LBPRGKRZSA-N 0 3 332.425 2.845 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)n(C)n1 ZINC000296582543 241090694 /nfs/dbraw/zinc/09/06/94/241090694.db2.gz WBTHSLOJXWGHJI-HOTGVXAUSA-N 0 3 326.444 2.680 10 10 EFCEHN CC[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413257 242381217 /nfs/dbraw/zinc/38/12/17/242381217.db2.gz QQKJATIQNAQSLH-OALUTQOASA-N 0 3 345.487 2.573 10 10 EFCEHN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](N(C)C)C3)c2C)cc1 ZINC000170857314 533209574 /nfs/dbraw/zinc/20/95/74/533209574.db2.gz UKOOCVNZEDQNNU-QGZVFWFLSA-N 0 3 341.455 2.879 10 10 EFCEHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc3c(c2)CCO3)cn1 ZINC000328644083 258022426 /nfs/dbraw/zinc/02/24/26/258022426.db2.gz RQJYDHAQWUJDNH-PKOBYXMFSA-N 0 3 327.428 2.848 10 10 EFCEHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc3c(c2)CCO3)cn1 ZINC000328631934 258027754 /nfs/dbraw/zinc/02/77/54/258027754.db2.gz KYZLMKGZNIXKQO-APWZRJJASA-N 0 3 340.427 2.788 10 10 EFCEHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cccs3)cc2)C1 ZINC000054179189 132190290 /nfs/dbraw/zinc/19/02/90/132190290.db2.gz XDSIQOFXRXIUGH-HNNXBMFYSA-N 0 3 329.469 2.740 10 10 EFCEHN C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1 ZINC000054175319 132190318 /nfs/dbraw/zinc/19/03/18/132190318.db2.gz CPGKTUXJPIXPME-OAHLLOKOSA-N 0 3 339.439 2.531 10 10 EFCEHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000527783362 316459610 /nfs/dbraw/zinc/45/96/10/316459610.db2.gz KLWVYCQQCYSIBE-OCCSQVGLSA-N 0 3 330.222 2.820 10 10 EFCEHN Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000185267884 473382121 /nfs/dbraw/zinc/38/21/21/473382121.db2.gz SJNHOIOIEXHWRA-CQSZACIVSA-N 0 3 345.418 2.922 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000122131535 472979553 /nfs/dbraw/zinc/97/95/53/472979553.db2.gz FTNBKWPXCGNJOL-UHFFFAOYSA-N 0 3 328.412 2.669 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000122131535 472979557 /nfs/dbraw/zinc/97/95/57/472979557.db2.gz FTNBKWPXCGNJOL-UHFFFAOYSA-N 0 3 328.412 2.669 10 10 EFCEHN CCOc1ccc(O)c(CN(CCC(N)=O)Cc2ccccc2)c1 ZINC000122131535 472979561 /nfs/dbraw/zinc/97/95/61/472979561.db2.gz FTNBKWPXCGNJOL-UHFFFAOYSA-N 0 3 328.412 2.669 10 10 EFCEHN Cc1c(C)c(O)c(CN2CCN(c3ccncc3)CC2)c(C)c1O ZINC000065621817 472993767 /nfs/dbraw/zinc/99/37/67/472993767.db2.gz OABAGFOPJBUBJF-UHFFFAOYSA-N 0 3 327.428 2.740 10 10 EFCEHN Cc1cnn([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000123021390 473088043 /nfs/dbraw/zinc/08/80/43/473088043.db2.gz WNOHRAIOEUMAIU-HXUWFJFHSA-N 0 3 340.471 2.865 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)c1 ZINC000185665316 473483353 /nfs/dbraw/zinc/48/33/53/473483353.db2.gz OLQQAKKGZIPUTI-ZWKOTPCHSA-N 0 3 335.444 2.855 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)c1 ZINC000185665278 473483439 /nfs/dbraw/zinc/48/34/39/473483439.db2.gz OLQQAKKGZIPUTI-ROUUACIJSA-N 0 3 335.444 2.855 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031607 473575431 /nfs/dbraw/zinc/57/54/31/473575431.db2.gz FIMZFXDZVKRFJR-GFCCVEGCSA-N 0 3 334.441 2.933 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050873 473579626 /nfs/dbraw/zinc/57/96/26/473579626.db2.gz PBVWBTCKNQXWRT-ZIAGYGMSSA-N 0 3 328.416 2.510 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293422 473639930 /nfs/dbraw/zinc/63/99/30/473639930.db2.gz FWKDEFFAZYCYEM-CHWSQXEVSA-N 0 3 330.432 2.781 10 10 EFCEHN Cc1cccc(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1O ZINC000180083875 473794445 /nfs/dbraw/zinc/79/44/45/473794445.db2.gz WPKULYAOXYXLDB-IBGZPJMESA-N 0 3 326.440 2.552 10 10 EFCEHN CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1[O-] ZINC000274756683 473945324 /nfs/dbraw/zinc/94/53/24/473945324.db2.gz IZJZVNMQPSUYQG-QGZVFWFLSA-N 0 3 327.428 2.865 10 10 EFCEHN Cc1cc(O)c(CNCc2cccc(N3CCOCC3)n2)cc1C ZINC000274795482 473961636 /nfs/dbraw/zinc/96/16/36/473961636.db2.gz NMTOGGHGDPHOOI-UHFFFAOYSA-N 0 3 327.428 2.530 10 10 EFCEHN CN1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccccc1 ZINC000270254851 474047716 /nfs/dbraw/zinc/04/77/16/474047716.db2.gz BQNMYGCBOMJSPP-WMZOPIPTSA-N 0 3 325.412 2.637 10 10 EFCEHN C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1[O-] ZINC000282502655 474089927 /nfs/dbraw/zinc/08/99/27/474089927.db2.gz SAAKAWPXXWQPPX-CVEARBPZSA-N 0 3 340.423 2.723 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccc2[O-])ncn1 ZINC000183596707 474396205 /nfs/dbraw/zinc/39/62/05/474396205.db2.gz SCLGBUYYILVNND-KBPBESRZSA-N 0 3 327.432 2.544 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283504589 474422241 /nfs/dbraw/zinc/42/22/41/474422241.db2.gz ZAWGEILAFDTFSH-SUNYJGFJSA-N 0 3 335.444 2.619 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283504577 474422609 /nfs/dbraw/zinc/42/26/09/474422609.db2.gz ZAWGEILAFDTFSH-DEYYWGMASA-N 0 3 335.444 2.619 10 10 EFCEHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000284073425 474564280 /nfs/dbraw/zinc/56/42/80/474564280.db2.gz QPTHNIQMYVAPIJ-HKUYNNGSSA-N 0 3 334.504 2.925 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338071 474613865 /nfs/dbraw/zinc/61/38/65/474613865.db2.gz CFLMTIHSJRXEON-CABCVRRESA-N 0 3 344.459 2.762 10 10 EFCEHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273456169 474907438 /nfs/dbraw/zinc/90/74/38/474907438.db2.gz IAHIZBRADNTXSS-KRWDZBQOSA-N 0 3 341.407 2.966 10 10 EFCEHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000273456169 474907445 /nfs/dbraw/zinc/90/74/45/474907445.db2.gz IAHIZBRADNTXSS-KRWDZBQOSA-N 0 3 341.407 2.966 10 10 EFCEHN COC(=O)[C@H]1CCCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295035687 475100341 /nfs/dbraw/zinc/10/03/41/475100341.db2.gz NKGDCLAQKLUFOU-KRWDZBQOSA-N 0 3 346.471 2.687 10 10 EFCEHN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000295278874 475117912 /nfs/dbraw/zinc/11/79/12/475117912.db2.gz IHKVNKIOMNZGIB-UHFFFAOYSA-N 0 3 342.842 2.729 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)OCO2 ZINC000374472507 476483124 /nfs/dbraw/zinc/48/31/24/476483124.db2.gz QEXSCIPXXFWDAB-AUUYWEPGSA-N 0 3 327.380 2.988 10 10 EFCEHN CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3[O-])CC2)c1C ZINC000377713927 476541044 /nfs/dbraw/zinc/54/10/44/476541044.db2.gz CHYLKZPYQZPTDZ-UHFFFAOYSA-N 0 3 343.427 2.911 10 10 EFCEHN COc1cc(O)c(CN2CCC[C@@H](c3ccncn3)C2)cc1OC ZINC000378439694 476708620 /nfs/dbraw/zinc/70/86/20/476708620.db2.gz TUOYLCLXVZJCET-CYBMUJFWSA-N 0 3 329.400 2.579 10 10 EFCEHN Cc1cc(Br)c([O-])c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179421 477878046 /nfs/dbraw/zinc/87/80/46/477878046.db2.gz UWOQAOIVTZUAIY-CYBMUJFWSA-N 0 3 325.250 2.837 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1[O-] ZINC000527958802 478588295 /nfs/dbraw/zinc/58/82/95/478588295.db2.gz WVTFXWFNBGAKNF-ZLKJLUDKSA-N 0 3 344.249 2.654 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005492 478610491 /nfs/dbraw/zinc/61/04/91/478610491.db2.gz QGLFQVXCVZRYOH-PXAZEXFGSA-N 0 3 326.396 2.878 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000529674597 479243789 /nfs/dbraw/zinc/24/37/89/479243789.db2.gz GDVNPVRQCARKHK-UHFFFAOYSA-N 0 3 340.851 2.792 10 10 EFCEHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CC2(CCC2)c2c1cccc2F ZINC000662436851 481804310 /nfs/dbraw/zinc/80/43/10/481804310.db2.gz DUSHMEHGPBSIGD-LBPRGKRZSA-N 0 3 340.402 2.708 10 10 EFCEHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CC2(CCC2)c2c1cccc2F ZINC000662436850 481804566 /nfs/dbraw/zinc/80/45/66/481804566.db2.gz DUSHMEHGPBSIGD-GFCCVEGCSA-N 0 3 340.402 2.708 10 10 EFCEHN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000173993477 534094698 /nfs/dbraw/zinc/09/46/98/534094698.db2.gz VHZHRUGQUSBWFT-LPHOPBHVSA-N 0 3 344.503 2.911 10 10 EFCEHN CN(C)C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000031727349 521823644 /nfs/dbraw/zinc/82/36/44/521823644.db2.gz BKZJGOARNJGJDL-LJQANCHMSA-N 0 3 340.471 2.855 10 10 EFCEHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412408 535765683 /nfs/dbraw/zinc/76/56/83/535765683.db2.gz JHXVDIJEPHKAQF-BEFAXECRSA-N 0 3 345.487 2.573 10 10 EFCEHN Cc1ccc(/C=C/C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cn1 ZINC000754359789 575424842 /nfs/dbraw/zinc/42/48/42/575424842.db2.gz ZTMIIVIALHWMEM-SXSDINLZSA-N 0 3 337.423 2.759 10 10 EFCEHN COc1cc(C)cc(CN2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000754727000 575478386 /nfs/dbraw/zinc/47/83/86/575478386.db2.gz ZTLXYOGHGDNHNU-MRXNPFEDSA-N 0 3 332.444 2.686 10 10 EFCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000758142171 575861171 /nfs/dbraw/zinc/86/11/71/575861171.db2.gz JQZWHHXMQIOUCU-OAHLLOKOSA-N 0 3 326.506 2.644 10 10 EFCEHN CCN(CC)c1ccc(CN(C)CC2CCS(=O)(=O)CC2)cc1 ZINC000767357976 577206025 /nfs/dbraw/zinc/20/60/25/577206025.db2.gz CUAUMEDFIFWKGK-UHFFFAOYSA-N 0 3 338.517 2.789 10 10 EFCEHN c1c[nH]c(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000769187873 577342931 /nfs/dbraw/zinc/34/29/31/577342931.db2.gz BLIVWCCWFZDJEX-UHFFFAOYSA-N 0 3 326.444 2.626 10 10 EFCEHN COc1cccc([O-])c1C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000769318040 577351613 /nfs/dbraw/zinc/35/16/13/577351613.db2.gz HEPWUDQVBOLHEF-UHFFFAOYSA-N 0 3 344.411 2.697 10 10 EFCEHN COc1cccc([O-])c1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000773387533 581425674 /nfs/dbraw/zinc/42/56/74/581425674.db2.gz FYJFGWWXQVMMOW-UHFFFAOYSA-N 0 3 340.423 2.795 10 10 EFCEHN CN1CCCc2cc(CNCc3ccnn3-c3ccncc3)ccc21 ZINC000850099164 1250278245 /nfs/dbraw/zinc/27/82/45/1250278245.db2.gz FZTPAGMHQAEZND-UHFFFAOYSA-N 0 3 333.439 2.940 10 10 EFCEHN COc1ccc(N2CCC(NCc3cc4n(n3)CCC4)CC2)cc1 ZINC000850115642 1250293308 /nfs/dbraw/zinc/29/33/08/1250293308.db2.gz JDSYFNJUOPXSND-UHFFFAOYSA-N 0 3 326.444 2.597 10 10 EFCEHN Cc1cc(CNC(=O)N(C)CCN(C)C)c(C)n1-c1ccccc1 ZINC001687286687 1248198223 /nfs/dbraw/zinc/19/82/23/1248198223.db2.gz QDCVYNGQHZFPKF-UHFFFAOYSA-N 0 3 328.460 2.797 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000850387861 1250458195 /nfs/dbraw/zinc/45/81/95/1250458195.db2.gz BQPZFKGAIUERDB-OLZOCXBDSA-N 0 3 342.233 2.556 10 10 EFCEHN C[C@H](O)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419671 1250478596 /nfs/dbraw/zinc/47/85/96/1250478596.db2.gz GQCWSXCHJIDGFO-OXJNMPFZSA-N 0 3 326.440 2.735 10 10 EFCEHN Fc1cc(CN[C@@H]2COC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000850473241 1250497384 /nfs/dbraw/zinc/49/73/84/1250497384.db2.gz CZVDAACZULXHHA-AWEZNQCLSA-N 0 3 338.398 2.603 10 10 EFCEHN CCS(=O)(=O)C1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850558619 1250536195 /nfs/dbraw/zinc/53/61/95/1250536195.db2.gz SALZFMRWXLRKLU-PWSUYJOCSA-N 0 3 327.421 2.637 10 10 EFCEHN FCCn1cc(CNCc2ccc(N3CCSCC3)cc2)cn1 ZINC000921549998 1257247764 /nfs/dbraw/zinc/24/77/64/1257247764.db2.gz GRCGEYMUYPJLMD-UHFFFAOYSA-N 0 3 334.464 2.696 10 10 EFCEHN CCOc1ccc(O)c(CNCC(=O)N(CC)c2ccccc2)c1 ZINC000922476685 1266111219 /nfs/dbraw/zinc/11/12/19/1266111219.db2.gz HZESAWMZJGLUKM-UHFFFAOYSA-N 0 3 328.412 2.934 10 10 EFCEHN CN1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000921677611 1260276747 /nfs/dbraw/zinc/27/67/47/1260276747.db2.gz FQUYFIQOPGTNPV-FUHWJXTLSA-N 0 3 343.402 2.776 10 10 EFCEHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877428 1263062149 /nfs/dbraw/zinc/06/21/49/1263062149.db2.gz FUTPWQAWPLODKT-KGLIPLIRSA-N 0 3 349.450 2.984 10 10 EFCEHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921877428 1263062158 /nfs/dbraw/zinc/06/21/58/1263062158.db2.gz FUTPWQAWPLODKT-KGLIPLIRSA-N 0 3 349.450 2.984 10 10 EFCEHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877430 1263062685 /nfs/dbraw/zinc/06/26/85/1263062685.db2.gz FUTPWQAWPLODKT-ZIAGYGMSSA-N 0 3 349.450 2.984 10 10 EFCEHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000921877430 1263062696 /nfs/dbraw/zinc/06/26/96/1263062696.db2.gz FUTPWQAWPLODKT-ZIAGYGMSSA-N 0 3 349.450 2.984 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000733613388 1265316873 /nfs/dbraw/zinc/31/68/73/1265316873.db2.gz QOCDSCMJGXXCED-RBUKOAKNSA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000733613388 1265316877 /nfs/dbraw/zinc/31/68/77/1265316877.db2.gz QOCDSCMJGXXCED-RBUKOAKNSA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000792193713 1278635608 /nfs/dbraw/zinc/63/56/08/1278635608.db2.gz YUKGKNGCSWFVMB-LBPRGKRZSA-N 0 3 325.330 2.750 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000785584114 1275118055 /nfs/dbraw/zinc/11/80/55/1275118055.db2.gz VKSPRJIKWKFDAY-BUXKBTBVSA-N 0 3 345.395 2.731 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000793573368 1279771495 /nfs/dbraw/zinc/77/14/95/1279771495.db2.gz QCWYDWJDQOFGGV-UQFNBPPOSA-N 0 3 325.424 2.827 10 10 EFCEHN C/C(=C/c1cccnc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000846923430 1280619787 /nfs/dbraw/zinc/61/97/87/1280619787.db2.gz RDPZXKSTDHFDQQ-HKBKRHGFSA-N 0 3 337.423 2.841 10 10 EFCEHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810411093 1283214574 /nfs/dbraw/zinc/21/45/74/1283214574.db2.gz IGXLZQWJFSPQMG-LJQANCHMSA-N 0 3 335.467 2.890 10 10 EFCEHN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810411092 1283214743 /nfs/dbraw/zinc/21/47/43/1283214743.db2.gz IGXLZQWJFSPQMG-IBGZPJMESA-N 0 3 335.467 2.890 10 10 EFCEHN CN(C)c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000824517438 1289678270 /nfs/dbraw/zinc/67/82/70/1289678270.db2.gz VABIQBGATJEJMH-AWEZNQCLSA-N 0 3 348.443 2.552 10 10 EFCEHN COc1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000824515690 1289678538 /nfs/dbraw/zinc/67/85/38/1289678538.db2.gz HARYBZUZMIBFSA-OAHLLOKOSA-N 0 3 331.437 2.664 10 10 EFCEHN COc1ccc(O)c(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636061 1289732869 /nfs/dbraw/zinc/73/28/69/1289732869.db2.gz LPESJDWLUZFDOM-IEBWSBKVSA-N 0 3 331.387 2.701 10 10 EFCEHN COc1ccc(O)c(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636058 1289733196 /nfs/dbraw/zinc/73/31/96/1289733196.db2.gz LPESJDWLUZFDOM-HKUYNNGSSA-N 0 3 331.387 2.701 10 10 EFCEHN COc1cccc(O)c1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637214 1289734548 /nfs/dbraw/zinc/73/45/48/1289734548.db2.gz WSJPWRWUZAZYSJ-VQIMIIECSA-N 0 3 331.387 2.701 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c([O-])c1 ZINC000775347725 1291990466 /nfs/dbraw/zinc/99/04/66/1291990466.db2.gz QPFMRWNUFLAELX-DZGCQCFKSA-N 0 3 336.432 2.747 10 10 EFCEHN CC(C)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000886507273 1294998537 /nfs/dbraw/zinc/99/85/37/1294998537.db2.gz CVBMOHYXMWPRON-LJQANCHMSA-N 0 3 346.450 2.883 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1[O-] ZINC000776519915 1299343407 /nfs/dbraw/zinc/34/34/07/1299343407.db2.gz DYICCVSYYOOMHO-MRXNPFEDSA-N 0 3 329.824 2.536 10 10 EFCEHN CN1CCCc2cc(CNC(=O)NC[C@@H]3CCN3C(C)(C)C)ccc21 ZINC000852411905 1299695174 /nfs/dbraw/zinc/69/51/74/1299695174.db2.gz IVKJSMYCBBPDIC-KRWDZBQOSA-N 0 3 344.503 2.741 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCOCCF)c1[O-] ZINC000853237169 1300061179 /nfs/dbraw/zinc/06/11/79/1300061179.db2.gz RGPPCCXZLKIEKN-VIFPVBQESA-N 0 3 336.201 2.800 10 10 EFCEHN CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C)C1 ZINC000853411869 1300107949 /nfs/dbraw/zinc/10/79/49/1300107949.db2.gz OQRSDOCIJWNCSR-GOSISDBHSA-N 0 3 330.476 2.522 10 10 EFCEHN CN(C)c1ccc(/C=C/CN[C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432886 1302383296 /nfs/dbraw/zinc/38/32/96/1302383296.db2.gz QFIURTULNZQMPR-XJDXJNMNSA-N 0 3 326.440 2.969 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3cc4c(cc[nH]c4=O)o3)C2)cc1 ZINC000865622627 1303337154 /nfs/dbraw/zinc/33/71/54/1303337154.db2.gz ZLVBROXSRXIYEC-CYBMUJFWSA-N 0 3 339.395 2.911 10 10 EFCEHN COc1cc(CNc2cc3n(n2)CCN(C)C3)c(O)c(C(C)(C)C)c1 ZINC000865846272 1303426753 /nfs/dbraw/zinc/42/67/53/1303426753.db2.gz OKPULWKIJLMNMC-UHFFFAOYSA-N 0 3 344.459 2.952 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC/C=C\C2CC2)N(C)C)cc1 ZINC001229247473 1312067554 /nfs/dbraw/zinc/06/75/54/1312067554.db2.gz AAXIUERZIWPCNE-XFHJGTJQSA-N 0 3 330.476 2.621 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC/C=C/C2CC2)N(C)C)cc1 ZINC001229247471 1312067608 /nfs/dbraw/zinc/06/76/08/1312067608.db2.gz AAXIUERZIWPCNE-QWNKOJSDSA-N 0 3 330.476 2.621 10 10 EFCEHN C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000903174772 1312429825 /nfs/dbraw/zinc/42/98/25/1312429825.db2.gz JHAMQSOIDTUNJE-CQSZACIVSA-N 0 3 348.468 2.634 10 10 EFCEHN COc1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)cc1 ZINC000179943034 1314721247 /nfs/dbraw/zinc/72/12/47/1314721247.db2.gz DQSWXZHRAVEZIL-UHFFFAOYSA-N 0 3 328.412 2.732 10 10 EFCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC(=O)Nc1ccccc1F ZINC001308010722 1324789031 /nfs/dbraw/zinc/78/90/31/1324789031.db2.gz XIUDANQFDDWCNQ-VXGBXAGGSA-N 0 3 345.374 2.919 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cscn2)cc1C ZINC001321002964 1329330334 /nfs/dbraw/zinc/33/03/34/1329330334.db2.gz ZNFMZJXRUHDNIG-ONEGZZNKSA-N 0 3 331.441 2.536 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001321045507 1329336214 /nfs/dbraw/zinc/33/62/14/1329336214.db2.gz VZUYIEWFWVDNSZ-CGXNLCPXSA-N 0 3 338.398 2.667 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3oc(C)nc3C)CC2)cc1C ZINC001323411081 1329541764 /nfs/dbraw/zinc/54/17/64/1329541764.db2.gz GKISPWGQOVLYMH-UHFFFAOYSA-N 0 3 343.427 2.661 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cccnc3C)CC2)cc1C ZINC001323526325 1329549496 /nfs/dbraw/zinc/54/94/96/1329549496.db2.gz WYHHKUIPTXADIT-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000848526538 1334775241 /nfs/dbraw/zinc/77/52/41/1334775241.db2.gz ATKYHNDVHMHOJT-ZJUUUORDSA-N 0 3 330.222 2.850 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1[O-] ZINC000848527446 1334775612 /nfs/dbraw/zinc/77/56/12/1334775612.db2.gz AXCHLZJVOQRTQF-PSLIRLAXSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1[O-] ZINC000848534709 1334780637 /nfs/dbraw/zinc/78/06/37/1334780637.db2.gz UFNMGKZBBBCPNL-TVQRCGJNSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000848549127 1334788813 /nfs/dbraw/zinc/78/88/13/1334788813.db2.gz KWSJBJZNJUKGOL-NXEZZACHSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC2CC(O)C2)c1[O-] ZINC000848547780 1334788836 /nfs/dbraw/zinc/78/88/36/1334788836.db2.gz UHIHDEZBCIZQPB-GRZMOONWSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCCCCO)c1[O-] ZINC000848548933 1334788977 /nfs/dbraw/zinc/78/89/77/1334788977.db2.gz HOMLFUUYVLRVEX-JTQLQIEISA-N 0 3 332.238 2.977 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CC2)c1[O-] ZINC000848553237 1334791239 /nfs/dbraw/zinc/79/12/39/1334791239.db2.gz JBTYVMPIXNZCHG-JTQLQIEISA-N 0 3 344.249 2.977 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1[O-] ZINC000848553589 1334791777 /nfs/dbraw/zinc/79/17/77/1334791777.db2.gz WKHVEUCMAAPKRS-NOZJJQNGSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1ccc(N2CC[C@@H](CNCc3cc4n(n3)CCCC4)C2)cc1 ZINC000848556280 1334792511 /nfs/dbraw/zinc/79/25/11/1334792511.db2.gz SENUZAIOVLFDPQ-INIZCTEOSA-N 0 3 340.471 2.844 10 10 EFCEHN CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000848556878 1334793634 /nfs/dbraw/zinc/79/36/34/1334793634.db2.gz AMNUKIOAGZKWEE-HZMBPMFUSA-N 0 3 332.238 2.511 10 10 EFCEHN CCc1cccc(CN2CCN(c3ccc(OC)cn3)CC2)c1O ZINC000848915077 1334982800 /nfs/dbraw/zinc/98/28/00/1334982800.db2.gz SHBFDMIEUBFOQW-UHFFFAOYSA-N 0 3 327.428 2.680 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000848923122 1334989634 /nfs/dbraw/zinc/98/96/34/1334989634.db2.gz GQPBOLKRJSMIPW-RWMBFGLXSA-N 0 3 342.867 2.642 10 10 EFCEHN Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1O ZINC001456936473 1394874952 /nfs/dbraw/zinc/87/49/52/1394874952.db2.gz SMKPGZPTLIOSOT-SFHVURJKSA-N 0 3 341.455 2.799 10 10 EFCEHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001469657873 1397046301 /nfs/dbraw/zinc/04/63/01/1397046301.db2.gz BJFGTIWNZDCJBO-KBXCAEBGSA-N 0 3 332.492 2.843 10 10 EFCEHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001479377616 1397707953 /nfs/dbraw/zinc/70/79/53/1397707953.db2.gz WNIFQUPWQQVZMR-CRAIPNDOSA-N 0 3 330.476 2.521 10 10 EFCEHN COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccccc2[O-])cc1C ZINC001495623745 1400126001 /nfs/dbraw/zinc/12/60/01/1400126001.db2.gz SVFIQWVGLSEYQE-CQSZACIVSA-N 0 3 342.439 2.865 10 10 EFCEHN COC(=O)c1ccc2[nH]c(CN[C@H](C)c3ccccc3O)nc2c1 ZINC001560075161 1415262422 /nfs/dbraw/zinc/26/24/22/1415262422.db2.gz UUCBVXBJSWJFEN-LLVKDONJSA-N 0 3 325.368 2.906 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC2(C)CCCC2)N(C)C)cc1 ZINC001685608810 1416769076 /nfs/dbraw/zinc/76/90/76/1416769076.db2.gz HLQDFAPZXKVZEP-KRWDZBQOSA-N 0 3 332.492 2.987 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NCC2(NC/C=C/Cl)CCC2)cc1 ZINC001700142848 1417582053 /nfs/dbraw/zinc/58/20/53/1417582053.db2.gz GOOCBRNDBOLLCP-QIXHCJIDSA-N 0 3 349.822 2.844 10 10 EFCEHN CCc1[nH]ccc1C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001723514426 1424515669 /nfs/dbraw/zinc/51/56/69/1424515669.db2.gz ICGSYLNYUOHEJW-UHFFFAOYSA-N 0 3 341.455 2.946 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cocc3C)CC2)cc1C ZINC001723546009 1424521719 /nfs/dbraw/zinc/52/17/19/1424521719.db2.gz KBAWGYNTRZBECL-UHFFFAOYSA-N 0 3 328.412 2.957 10 10 EFCEHN C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580875 1425664438 /nfs/dbraw/zinc/66/44/38/1425664438.db2.gz ADKSOIOVYHVDBR-FGOJEUQOSA-N 0 3 349.822 2.794 10 10 EFCEHN COC(=O)c1c(CN2CCC[C@@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894034323 720234867 /nfs/dbraw/zinc/23/48/67/720234867.db2.gz REDGCFCTIQSHGQ-GXTWGEPZSA-N 0 3 348.418 2.839 10 10 EFCEHN Cc1cc([O-])c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC000840917575 720964434 /nfs/dbraw/zinc/96/44/34/720964434.db2.gz KSJAPUUBYFNUFI-HNNXBMFYSA-N 0 3 337.895 2.566 10 10 EFCEHN Cc1cc([O-])c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Cl)c1 ZINC000840917575 720964437 /nfs/dbraw/zinc/96/44/37/720964437.db2.gz KSJAPUUBYFNUFI-HNNXBMFYSA-N 0 3 337.895 2.566 10 10 EFCEHN COC(=O)c1c(CNCCc2cscn2)c2cc(F)ccc2n1C ZINC000894303918 722022485 /nfs/dbraw/zinc/02/24/85/722022485.db2.gz MVQZRWLBGNQHFG-UHFFFAOYSA-N 0 3 347.415 2.893 10 10 EFCEHN COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2[O-])[nH]c1C(C)C ZINC000894639290 722805611 /nfs/dbraw/zinc/80/56/11/722805611.db2.gz UUHNAIOIYDBKMW-UHFFFAOYSA-N 0 3 332.400 2.929 10 10 EFCEHN COC(=O)c1c(CNCC2=CCCOC2)c2cc(F)ccc2n1C ZINC000894781848 722846693 /nfs/dbraw/zinc/84/66/93/722846693.db2.gz SPNGDBFGJKNSAH-UHFFFAOYSA-N 0 3 332.375 2.540 10 10 EFCEHN COC(=O)c1c(CN[C@@H](CO)CC2CCC2)c2cc(F)ccc2n1C ZINC000894833932 722879880 /nfs/dbraw/zinc/87/98/80/722879880.db2.gz NWWIWQHHUPRSGS-CQSZACIVSA-N 0 3 348.418 2.745 10 10 EFCEHN CCc1cccc(CN2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895069958 723173744 /nfs/dbraw/zinc/17/37/44/723173744.db2.gz LGXRFUBFFZARNB-UHFFFAOYSA-N 0 3 327.428 2.742 10 10 EFCEHN COC(=O)c1c(CN(C)CC2(C)COC2)c2cc(F)ccc2n1C ZINC000895391511 724105835 /nfs/dbraw/zinc/10/58/35/724105835.db2.gz BKWIOWPPZXOVPQ-UHFFFAOYSA-N 0 3 334.391 2.572 10 10 EFCEHN COc1cccc2c1CC[C@]2(CO)NCc1ccc(N(C)C)cc1C ZINC000895635879 724235987 /nfs/dbraw/zinc/23/59/87/724235987.db2.gz ZCNDQDDAEZNCCX-OAQYLSRUSA-N 0 3 340.467 2.993 10 10 EFCEHN COC(=O)c1c(CN2C[C@@H]3CSC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895776260 724309730 /nfs/dbraw/zinc/30/97/30/724309730.db2.gz AWOHNMTZNMPGJR-TXEJJXNPSA-N 0 3 348.443 2.899 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000895818520 724331230 /nfs/dbraw/zinc/33/12/30/724331230.db2.gz DJAIORHDDFKEFP-YLVFBTJISA-N 0 3 341.835 2.870 10 10 EFCEHN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000730257410 725558822 /nfs/dbraw/zinc/55/88/22/725558822.db2.gz JZPMMJOEXDVVIH-INIZCTEOSA-N 0 3 332.444 2.980 10 10 EFCEHN CC1CC[NH+](CCCCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000914097332 726037093 /nfs/dbraw/zinc/03/70/93/726037093.db2.gz SZBPVGPLAYCVHN-UHFFFAOYSA-N 0 3 337.439 2.843 10 10 EFCEHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000156076909 727730031 /nfs/dbraw/zinc/73/00/31/727730031.db2.gz DPEZIRQMYKFVEG-SMDDNHRTSA-N 0 3 325.250 2.823 10 10 EFCEHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000156076909 727730033 /nfs/dbraw/zinc/73/00/33/727730033.db2.gz DPEZIRQMYKFVEG-SMDDNHRTSA-N 0 3 325.250 2.823 10 10 EFCEHN O=C1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CCN1 ZINC000044780990 727928052 /nfs/dbraw/zinc/92/80/52/727928052.db2.gz ILUPZGWTOARABL-UHFFFAOYSA-N 0 3 349.228 2.630 10 10 EFCEHN O=C1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CCN1 ZINC000044780990 727928056 /nfs/dbraw/zinc/92/80/56/727928056.db2.gz ILUPZGWTOARABL-UHFFFAOYSA-N 0 3 349.228 2.630 10 10 EFCEHN C[NH+](C)CC[C@H](NC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000919151231 728980486 /nfs/dbraw/zinc/98/04/86/728980486.db2.gz PTBSKCKMHBGHMJ-HNNXBMFYSA-N 0 3 325.428 2.697 10 10 EFCEHN O=C(Cc1ccc(O)c(O)c1)N(CCN1CCCC1)c1ccccc1 ZINC001586583538 1092745085 /nfs/dbraw/zinc/74/50/85/1092745085.db2.gz PFGGHZYIBPLAOA-UHFFFAOYSA-N 0 3 340.423 2.769 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000690797460 1094459957 /nfs/dbraw/zinc/45/99/57/1094459957.db2.gz AKWDPLQITPZEGZ-YPMHNXCESA-N 0 3 326.234 2.931 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000690797460 1094459961 /nfs/dbraw/zinc/45/99/61/1094459961.db2.gz AKWDPLQITPZEGZ-YPMHNXCESA-N 0 3 326.234 2.931 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cc(C)sn2)cc1C ZINC001268533351 1097139998 /nfs/dbraw/zinc/13/99/98/1097139998.db2.gz OTWRHAZYACQQJT-SNAWJCMRSA-N 0 3 345.468 2.844 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)N(C)C)cc1 ZINC001618642269 1099309970 /nfs/dbraw/zinc/30/99/70/1099309970.db2.gz FRBYBOKCZMRIFA-KZNAEPCWSA-N 0 3 347.503 2.675 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC2(C3CC3)CCC2)N(C)C)cc1 ZINC001638923645 1100899027 /nfs/dbraw/zinc/89/90/27/1100899027.db2.gz YXMQAJOEKXJWCL-SFHVURJKSA-N 0 3 344.503 2.987 10 10 EFCEHN CCN1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1 ZINC001652603889 1101520273 /nfs/dbraw/zinc/52/02/73/1101520273.db2.gz PTDMUQYWGQSGKX-KRWDZBQOSA-N 0 3 340.471 2.949 10 10 EFCEHN C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001654531908 1101730255 /nfs/dbraw/zinc/73/02/55/1101730255.db2.gz ABQULOOJCXVYNN-LBPRGKRZSA-N 0 3 329.356 2.980 10 10 EFCEHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](C3CCC3)C2)cc1 ZINC001655118250 1101785916 /nfs/dbraw/zinc/78/59/16/1101785916.db2.gz JWXATTJCVTXTNH-SFHVURJKSA-N 0 3 329.488 2.881 10 10 EFCEHN COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000690718093 1102040990 /nfs/dbraw/zinc/04/09/90/1102040990.db2.gz ZZTCXPWMMSREFK-UHFFFAOYSA-N 0 3 345.237 2.593 10 10 EFCEHN COC(=O)N(C)CC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000690718093 1102041004 /nfs/dbraw/zinc/04/10/04/1102041004.db2.gz ZZTCXPWMMSREFK-UHFFFAOYSA-N 0 3 345.237 2.593 10 10 EFCEHN COC(=O)N(C)CCN(C)Cc1cc(Br)cc(C)c1O ZINC000690718093 1102041018 /nfs/dbraw/zinc/04/10/18/1102041018.db2.gz ZZTCXPWMMSREFK-UHFFFAOYSA-N 0 3 345.237 2.593 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H](C)[C@@H]3CCCO3)CC2)cc1C ZINC001670850494 1104742009 /nfs/dbraw/zinc/74/20/09/1104742009.db2.gz KVGLUAMMNOEUJY-YJBOKZPZSA-N 0 3 346.471 2.557 10 10 EFCEHN CC[C@@H](F)CNCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482971170 1105269681 /nfs/dbraw/zinc/26/96/81/1105269681.db2.gz XQIPMMJQUAWHCI-CYBMUJFWSA-N 0 3 337.399 2.649 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)C2(C)CCOCC2)cc1C ZINC001669091686 1105433163 /nfs/dbraw/zinc/43/31/63/1105433163.db2.gz PQURFPJZTBFJJC-PLNGDYQASA-N 0 3 346.471 2.582 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cc(Cl)no2)cc1C ZINC001669151905 1105444960 /nfs/dbraw/zinc/44/49/60/1105444960.db2.gz YUPHEYRULURFBY-ARJAWSKDSA-N 0 3 349.818 2.721 10 10 EFCEHN C[C@H]1[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C ZINC000925318331 1106047413 /nfs/dbraw/zinc/04/74/13/1106047413.db2.gz FKHOJGWTMNIARP-KBXCAEBGSA-N 0 3 330.476 2.519 10 10 EFCEHN CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCCN2C)C2CC2)cc1 ZINC001676541196 1106539454 /nfs/dbraw/zinc/53/94/54/1106539454.db2.gz XULYJFUQHHLBPH-LJQANCHMSA-N 0 3 344.503 2.911 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)Cc3ccoc3)CC2)cc1C ZINC001483729810 1108400990 /nfs/dbraw/zinc/40/09/90/1108400990.db2.gz POPODMTWEDQGFW-UHFFFAOYSA-N 0 3 328.412 2.578 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1C ZINC001483778716 1112437664 /nfs/dbraw/zinc/43/76/64/1112437664.db2.gz LRZCUCWCQFNDMU-WBVHZDCISA-N 0 3 346.471 2.557 10 10 EFCEHN O=C(NCc1ccc(O)c(O)c1)c1cccc(CN2CCCC2)c1 ZINC000159079495 239021531 /nfs/dbraw/zinc/02/15/31/239021531.db2.gz HXRJPXQEYYGFMI-UHFFFAOYSA-N 0 3 326.396 2.624 10 10 EFCEHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173371067 239189688 /nfs/dbraw/zinc/18/96/88/239189688.db2.gz IFJSLJOFBGSABT-QGZVFWFLSA-N 0 3 326.440 2.842 10 10 EFCEHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173371067 239189691 /nfs/dbraw/zinc/18/96/91/239189691.db2.gz IFJSLJOFBGSABT-QGZVFWFLSA-N 0 3 326.440 2.842 10 10 EFCEHN COc1ccnc(NC2CC[NH+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000191687767 240001394 /nfs/dbraw/zinc/00/13/94/240001394.db2.gz MLSUSXJCKALDRF-UHFFFAOYSA-N 0 3 328.416 2.576 10 10 EFCEHN CCOc1cccc(CN2CCC(c3nc(N(C)C)no3)CC2)c1O ZINC000191908888 240011540 /nfs/dbraw/zinc/01/15/40/240011540.db2.gz ZRVQWHQSPMCTRJ-UHFFFAOYSA-N 0 3 346.431 2.620 10 10 EFCEHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000194930382 240186644 /nfs/dbraw/zinc/18/66/44/240186644.db2.gz FLYUIVUPGJQAFN-OAHLLOKOSA-N 0 3 329.448 2.581 10 10 EFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000248498588 240291723 /nfs/dbraw/zinc/29/17/23/240291723.db2.gz MHVASJVFODTJRV-QXAKKESOSA-N 0 3 340.467 2.987 10 10 EFCEHN Cc1cc(-c2nc([C@@H]3CNCCN3C)no2)c(C)n1-c1ccccc1 ZINC000263302157 240383431 /nfs/dbraw/zinc/38/34/31/240383431.db2.gz XFCHJOVPOFTZEO-KRWDZBQOSA-N 0 3 337.427 2.720 10 10 EFCEHN CN(C)c1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000362623119 242261645 /nfs/dbraw/zinc/26/16/45/242261645.db2.gz QONCQXDYADLLRK-UHFFFAOYSA-N 0 3 325.460 2.670 10 10 EFCEHN CCOC(=O)C1(COC)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000366285078 242349216 /nfs/dbraw/zinc/34/92/16/242349216.db2.gz PVHLNEIOQOFJEN-UHFFFAOYSA-N 0 3 334.460 2.544 10 10 EFCEHN Fc1ccc2c(c1)C[C@@H](NCc1ccc(N3CCOCC3)cc1)CO2 ZINC000367450501 242380825 /nfs/dbraw/zinc/38/08/25/242380825.db2.gz JGJPMMNKYYMASI-GOSISDBHSA-N 0 3 342.414 2.756 10 10 EFCEHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412409 242380985 /nfs/dbraw/zinc/38/09/85/242380985.db2.gz JHXVDIJEPHKAQF-DNVCBOLYSA-N 0 3 345.487 2.573 10 10 EFCEHN CN(C)c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000075584067 203319298 /nfs/dbraw/zinc/31/92/98/203319298.db2.gz PBSLCCQXAWHMHI-UHFFFAOYSA-N 0 3 325.456 2.879 10 10 EFCEHN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000185408491 296159697 /nfs/dbraw/zinc/15/96/97/296159697.db2.gz QXFSYBLWEMPGJJ-CXAGYDPISA-N 0 3 330.403 2.881 10 10 EFCEHN C[C@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1 ZINC000054175320 132190055 /nfs/dbraw/zinc/19/00/55/132190055.db2.gz CPGKTUXJPIXPME-HNNXBMFYSA-N 0 3 339.439 2.531 10 10 EFCEHN CCOC(=O)c1csc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000296335737 276303431 /nfs/dbraw/zinc/30/34/31/276303431.db2.gz GPQGPXWDPCHWDS-GFCCVEGCSA-N 0 3 332.425 2.845 10 10 EFCEHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(F)cc3)cc2)C1 ZINC000054178816 295107702 /nfs/dbraw/zinc/10/77/02/295107702.db2.gz MKNOQWIEVMEMHE-QGZVFWFLSA-N 0 3 341.430 2.817 10 10 EFCEHN COc1ccc(O)c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407773 295167319 /nfs/dbraw/zinc/16/73/19/295167319.db2.gz RMHFDGCOMVSQDU-KDOFPFPSSA-N 0 3 342.439 2.751 10 10 EFCEHN CCOc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1C ZINC000095985025 473244123 /nfs/dbraw/zinc/24/41/23/473244123.db2.gz FFKAWIJXYVVERN-NVXWUHKLSA-N 0 3 325.474 2.839 10 10 EFCEHN Cc1cc(O)c(CNCc2cnc(N3CCOCC3)c(F)c2)cc1C ZINC000185071939 473318789 /nfs/dbraw/zinc/31/87/89/473318789.db2.gz YRTWNCBYGYHWTF-UHFFFAOYSA-N 0 3 345.418 2.670 10 10 EFCEHN COc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 ZINC000089726381 472493584 /nfs/dbraw/zinc/49/35/84/472493584.db2.gz FVPSBGJJEZEFQJ-KSSFIOAISA-N 0 3 340.423 2.680 10 10 EFCEHN COc1ccc(O)c(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 ZINC000089726381 472493592 /nfs/dbraw/zinc/49/35/92/472493592.db2.gz FVPSBGJJEZEFQJ-KSSFIOAISA-N 0 3 340.423 2.680 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000120248977 472656581 /nfs/dbraw/zinc/65/65/81/472656581.db2.gz NFHMDTZHLSEWPO-INIZCTEOSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000120248977 472656584 /nfs/dbraw/zinc/65/65/84/472656584.db2.gz NFHMDTZHLSEWPO-INIZCTEOSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120403963 472683010 /nfs/dbraw/zinc/68/30/10/472683010.db2.gz XNGOLCAUGXRGLF-INIZCTEOSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120403963 472683015 /nfs/dbraw/zinc/68/30/15/472683015.db2.gz XNGOLCAUGXRGLF-INIZCTEOSA-N 0 3 342.443 2.682 10 10 EFCEHN CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1[O-] ZINC000156501861 472715358 /nfs/dbraw/zinc/71/53/58/472715358.db2.gz YISOLRWGJJBUHH-ZBFHGGJFSA-N 0 3 341.459 2.934 10 10 EFCEHN CCCOc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c([O-])c1 ZINC000092079642 472856957 /nfs/dbraw/zinc/85/69/57/472856957.db2.gz VBEVJIQZFHHOLJ-MRXNPFEDSA-N 0 3 348.487 2.866 10 10 EFCEHN CCOc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092662369 472958225 /nfs/dbraw/zinc/95/82/25/472958225.db2.gz CHEFZUKSGUHVKC-SFHVURJKSA-N 0 3 335.444 2.951 10 10 EFCEHN C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093147347 473053621 /nfs/dbraw/zinc/05/36/21/473053621.db2.gz FXVIQQXWTYUURY-QGZVFWFLSA-N 0 3 337.895 2.648 10 10 EFCEHN C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093147347 473053628 /nfs/dbraw/zinc/05/36/28/473053628.db2.gz FXVIQQXWTYUURY-QGZVFWFLSA-N 0 3 337.895 2.648 10 10 EFCEHN CCOc1cccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)c1[O-] ZINC000185671181 473484982 /nfs/dbraw/zinc/48/49/82/473484982.db2.gz RWOCLIGVWMFXQH-DLBZAZTESA-N 0 3 335.444 2.855 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ncn1 ZINC000185992314 473566577 /nfs/dbraw/zinc/56/65/77/473566577.db2.gz ZBWBFHOEZMRWRY-LSDHHAIUSA-N 0 3 341.459 2.852 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ncn1 ZINC000185992828 473566595 /nfs/dbraw/zinc/56/65/95/473566595.db2.gz CHAABBZZFHZYMI-GXTWGEPZSA-N 0 3 345.422 2.683 10 10 EFCEHN Cc1ccc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)s1 ZINC000170676653 473582536 /nfs/dbraw/zinc/58/25/36/473582536.db2.gz FKJJEMCZDZWETQ-UHFFFAOYSA-N 0 3 333.432 2.535 10 10 EFCEHN Cc1nn(C)c(C)c1CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000152660922 473587068 /nfs/dbraw/zinc/58/70/68/473587068.db2.gz QMZSEXMNLJYPES-UHFFFAOYSA-N 0 3 342.487 2.677 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3[O-])C2=O)n(C)n1 ZINC000186327560 473650703 /nfs/dbraw/zinc/65/07/03/473650703.db2.gz CBQOOJRWOVKXKF-GOEBONIOSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327560 473650709 /nfs/dbraw/zinc/65/07/09/473650709.db2.gz CBQOOJRWOVKXKF-GOEBONIOSA-N 0 3 342.443 2.589 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCSCC3)C1)OCO2 ZINC000269341293 473779501 /nfs/dbraw/zinc/77/95/01/473779501.db2.gz PBAMVCWEMNJXQL-CYBMUJFWSA-N 0 3 337.441 2.655 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1[O-] ZINC000180078111 473792464 /nfs/dbraw/zinc/79/24/64/473792464.db2.gz JVBPQXDGNGWKGE-UHFFFAOYSA-N 0 3 332.835 2.856 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2CCCN(c3cccnn3)CC2)c1[O-] ZINC000180078111 473792472 /nfs/dbraw/zinc/79/24/72/473792472.db2.gz JVBPQXDGNGWKGE-UHFFFAOYSA-N 0 3 332.835 2.856 10 10 EFCEHN CCn1cc(CN2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)cn1 ZINC000180111894 473801309 /nfs/dbraw/zinc/80/13/09/473801309.db2.gz IWPXVIJDUGQUCR-UHFFFAOYSA-N 0 3 328.460 2.625 10 10 EFCEHN CCn1cc(CN2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)cn1 ZINC000180111894 473801313 /nfs/dbraw/zinc/80/13/13/473801313.db2.gz IWPXVIJDUGQUCR-UHFFFAOYSA-N 0 3 328.460 2.625 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+](CCO)CCOCC(F)(F)F)c1[O-] ZINC000180185419 473822262 /nfs/dbraw/zinc/82/22/62/473822262.db2.gz XHSVYGZTSHMIKV-UHFFFAOYSA-N 0 3 341.757 2.727 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+](CCO)CCOCC(F)(F)F)c1[O-] ZINC000180185419 473822271 /nfs/dbraw/zinc/82/22/71/473822271.db2.gz XHSVYGZTSHMIKV-UHFFFAOYSA-N 0 3 341.757 2.727 10 10 EFCEHN CCOCc1cc(CN[C@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000282642899 474139343 /nfs/dbraw/zinc/13/93/43/474139343.db2.gz HFCXILUYNVZKLZ-KRWDZBQOSA-N 0 3 332.444 2.523 10 10 EFCEHN CCN(CC)c1ccc(CN[C@H](Cn2cncn2)C2CC2)cc1F ZINC000225408168 474211283 /nfs/dbraw/zinc/21/12/83/474211283.db2.gz STGLARLDCOSZAY-QGZVFWFLSA-N 0 3 331.439 2.832 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189050494 474277034 /nfs/dbraw/zinc/27/70/34/474277034.db2.gz NFDZWFQFNQNICP-GUYCJALGSA-N 0 3 328.387 2.983 10 10 EFCEHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(O)c1O ZINC000182941853 474292983 /nfs/dbraw/zinc/29/29/83/474292983.db2.gz NUCNHRZYXACVJQ-JKSUJKDBSA-N 0 3 326.396 2.581 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccc2[O-])ncn1 ZINC000183596742 474396279 /nfs/dbraw/zinc/39/62/79/474396279.db2.gz SCLGBUYYILVNND-UONOGXRCSA-N 0 3 327.432 2.544 10 10 EFCEHN C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000183631963 474403039 /nfs/dbraw/zinc/40/30/39/474403039.db2.gz AXSHFHJWRGMSMM-JQHSSLGASA-N 0 3 326.440 2.678 10 10 EFCEHN COc1cc(O)c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000271116653 474403112 /nfs/dbraw/zinc/40/31/12/474403112.db2.gz WIEBRZVHYMLFMJ-LBPRGKRZSA-N 0 3 337.416 2.573 10 10 EFCEHN COc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000290108189 474558584 /nfs/dbraw/zinc/55/85/84/474558584.db2.gz IAURVJORFLILTR-WFASDCNBSA-N 0 3 336.432 2.888 10 10 EFCEHN CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000291021832 474590923 /nfs/dbraw/zinc/59/09/23/474590923.db2.gz AKLONCUINQTOOP-UHFFFAOYSA-N 0 3 326.824 2.586 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)n(C)n1 ZINC000278172515 474602763 /nfs/dbraw/zinc/60/27/63/474602763.db2.gz BBSQMZFBQSNWQS-ZFWWWQNUSA-N 0 3 332.423 2.893 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000292846584 474673048 /nfs/dbraw/zinc/67/30/48/474673048.db2.gz BMBASMYSBSWGIP-UHFFFAOYSA-N 0 3 342.439 2.917 10 10 EFCEHN CN1CCC(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000273160603 474749605 /nfs/dbraw/zinc/74/96/05/474749605.db2.gz BWPAGMIVKRUFFM-SFHVURJKSA-N 0 3 346.471 2.632 10 10 EFCEHN COCCOC1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000294660075 475078715 /nfs/dbraw/zinc/07/87/15/475078715.db2.gz AAZJVTIDCPMDAY-UHFFFAOYSA-N 0 3 343.851 2.656 10 10 EFCEHN CCOc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000373975127 476445306 /nfs/dbraw/zinc/44/53/06/476445306.db2.gz GLXXOIZHTZHXDU-VCBZYWHSSA-N 0 3 335.444 2.949 10 10 EFCEHN COc1cccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1[O-] ZINC000374266294 476465071 /nfs/dbraw/zinc/46/50/71/476465071.db2.gz VFASSMAORNOJCN-WMLDXEAASA-N 0 3 340.423 2.680 10 10 EFCEHN COc1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1O ZINC000374266294 476465079 /nfs/dbraw/zinc/46/50/79/476465079.db2.gz VFASSMAORNOJCN-WMLDXEAASA-N 0 3 340.423 2.680 10 10 EFCEHN CCCCN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O ZINC000374522562 476485987 /nfs/dbraw/zinc/48/59/87/476485987.db2.gz TVHFEEQTJWZQEM-GOSISDBHSA-N 0 3 346.471 2.632 10 10 EFCEHN CCCCN(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000374522564 476486008 /nfs/dbraw/zinc/48/60/08/476486008.db2.gz TVHFEEQTJWZQEM-SFHVURJKSA-N 0 3 346.471 2.632 10 10 EFCEHN [O-]c1c(F)cc(Cl)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248538 477879627 /nfs/dbraw/zinc/87/96/27/477879627.db2.gz LVZSJBDTRVUQJN-OAHLLOKOSA-N 0 3 342.842 2.775 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000174133289 528302921 /nfs/dbraw/zinc/30/29/21/528302921.db2.gz NPMBOOXEVDSQHI-LJQANCHMSA-N 0 3 342.487 2.689 10 10 EFCEHN COc1ccc(N2CCCN(C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000249283419 536672422 /nfs/dbraw/zinc/67/24/22/536672422.db2.gz LEPCDJXMJOESPE-AWEZNQCLSA-N 0 3 332.366 2.521 10 10 EFCEHN COc1cc([O-])c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1OC ZINC000365260057 536856024 /nfs/dbraw/zinc/85/60/24/536856024.db2.gz RZKGOOWQFYNBJI-OAHLLOKOSA-N 0 3 345.443 2.834 10 10 EFCEHN COc1cc([O-])c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1OC ZINC000365260056 536857308 /nfs/dbraw/zinc/85/73/08/536857308.db2.gz RZKGOOWQFYNBJI-HNNXBMFYSA-N 0 3 345.443 2.834 10 10 EFCEHN CC(C)(C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000757866883 575854898 /nfs/dbraw/zinc/85/48/98/575854898.db2.gz ONLUQWZITHOJTJ-MOPGFXCFSA-N 0 3 332.488 2.752 10 10 EFCEHN C[C@H](NCCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000760896335 576085793 /nfs/dbraw/zinc/08/57/93/576085793.db2.gz KITOMODDTWGAGO-AWEZNQCLSA-N 0 3 348.878 2.803 10 10 EFCEHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000761973483 576235828 /nfs/dbraw/zinc/23/58/28/576235828.db2.gz MUCTZQCRMNGAHW-HXUWFJFHSA-N 0 3 327.424 2.938 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000762485983 576306757 /nfs/dbraw/zinc/30/67/57/576306757.db2.gz LREAKGZUBDZVQK-JOYOIKCWSA-N 0 3 330.222 2.678 10 10 EFCEHN C[C@H](N[C@@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281844 577026789 /nfs/dbraw/zinc/02/67/89/577026789.db2.gz SVDLCIMFBABDAQ-LSDHHAIUSA-N 0 3 337.895 2.921 10 10 EFCEHN COc1cccc(N2C[C@H](NCc3ccc(N(C)C)cc3)CC2=O)c1 ZINC000725853337 577251120 /nfs/dbraw/zinc/25/11/20/577251120.db2.gz OQZSNXMSXQMWBR-MRXNPFEDSA-N 0 3 339.439 2.656 10 10 EFCEHN CN1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000726238331 577357274 /nfs/dbraw/zinc/35/72/74/577357274.db2.gz VPQWRNJNUIAXDN-INIZCTEOSA-N 0 3 343.427 2.791 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000769405962 577360107 /nfs/dbraw/zinc/36/01/07/577360107.db2.gz ZMIVCWGZLLIYIR-MRXNPFEDSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000769405962 577360109 /nfs/dbraw/zinc/36/01/09/577360109.db2.gz ZMIVCWGZLLIYIR-MRXNPFEDSA-N 0 3 332.444 2.625 10 10 EFCEHN Cc1cncc(/C=C\C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC000772169663 581291797 /nfs/dbraw/zinc/29/17/97/581291797.db2.gz QDLDQDRBCMOONX-XZVRFQMRSA-N 0 3 337.423 2.759 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681194 581497571 /nfs/dbraw/zinc/49/75/71/581497571.db2.gz ZNGKKHRCUQDICV-ROUUACIJSA-N 0 3 347.455 2.814 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681194 581497572 /nfs/dbraw/zinc/49/75/72/581497572.db2.gz ZNGKKHRCUQDICV-ROUUACIJSA-N 0 3 347.455 2.814 10 10 EFCEHN C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1[O-] ZINC000817980026 1276419693 /nfs/dbraw/zinc/41/96/93/1276419693.db2.gz HTGMXVSRJTVJPR-PELKAZGASA-N 0 3 335.192 2.803 10 10 EFCEHN COc1cc(CNCC(=O)NCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000850023963 1250231789 /nfs/dbraw/zinc/23/17/89/1250231789.db2.gz LCZNQRVVXRPETA-UHFFFAOYSA-N 0 3 346.427 2.697 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3ccnn3CC3CC3)C2)cc1 ZINC000850346809 1250440672 /nfs/dbraw/zinc/44/06/72/1250440672.db2.gz KQMCLBHJRLMPJB-MRXNPFEDSA-N 0 3 326.444 2.670 10 10 EFCEHN COc1ccc(N2CC[C@@H]([NH2+]Cc3c([O-])cccc3OC)C2)cc1 ZINC000850345682 1250442649 /nfs/dbraw/zinc/44/26/49/1250442649.db2.gz HTXBREMMQTYGMF-CQSZACIVSA-N 0 3 328.412 2.778 10 10 EFCEHN COc1cccc([O-])c1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000850403804 1250468221 /nfs/dbraw/zinc/46/82/21/1250468221.db2.gz PQKHTQTZPUDEFQ-UHFFFAOYSA-N 0 3 348.443 2.890 10 10 EFCEHN COc1ccc(N2CC[C@@H](N[C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486195 1250502222 /nfs/dbraw/zinc/50/22/22/1250502222.db2.gz AOSUCTNAIZYFJR-QAPCUYQASA-N 0 3 326.444 2.748 10 10 EFCEHN COc1ccc(O)c([C@@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500260 1250510770 /nfs/dbraw/zinc/51/07/70/1250510770.db2.gz FAENPRNKYPNFTA-MLGOLLRUSA-N 0 3 326.396 2.639 10 10 EFCEHN COc1ccc(O)c([C@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500251 1250511078 /nfs/dbraw/zinc/51/10/78/1250511078.db2.gz FAENPRNKYPNFTA-BLLLJJGKSA-N 0 3 326.396 2.639 10 10 EFCEHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CC2 ZINC000850555651 1250533298 /nfs/dbraw/zinc/53/32/98/1250533298.db2.gz AMTQEEBFHPXOAK-KBAYOESNSA-N 0 3 328.456 2.613 10 10 EFCEHN CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850558413 1250536018 /nfs/dbraw/zinc/53/60/18/1250536018.db2.gz SALZFMRWXLRKLU-CMPLNLGQSA-N 0 3 327.421 2.637 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850760499 1250599325 /nfs/dbraw/zinc/59/93/25/1250599325.db2.gz SSQFBTOEVBTLDP-GOSISDBHSA-N 0 3 341.411 2.717 10 10 EFCEHN O=c1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc[nH]1 ZINC000921745831 1261355240 /nfs/dbraw/zinc/35/52/40/1261355240.db2.gz ZSIYOFOQPYJGAJ-INIZCTEOSA-N 0 3 347.846 2.900 10 10 EFCEHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000923401872 1261612409 /nfs/dbraw/zinc/61/24/09/1261612409.db2.gz YWDNPSMDSBAYIA-AWEZNQCLSA-N 0 3 335.423 2.738 10 10 EFCEHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000923401872 1261612422 /nfs/dbraw/zinc/61/24/22/1261612422.db2.gz YWDNPSMDSBAYIA-AWEZNQCLSA-N 0 3 335.423 2.738 10 10 EFCEHN C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877427 1263062066 /nfs/dbraw/zinc/06/20/66/1263062066.db2.gz FUTPWQAWPLODKT-KBPBESRZSA-N 0 3 349.450 2.984 10 10 EFCEHN C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000921877427 1263062075 /nfs/dbraw/zinc/06/20/75/1263062075.db2.gz FUTPWQAWPLODKT-KBPBESRZSA-N 0 3 349.450 2.984 10 10 EFCEHN [O-]c1ccccc1C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734846329 1267129854 /nfs/dbraw/zinc/12/98/54/1267129854.db2.gz QZLPQBITYIHVRR-FQEVSTJZSA-N 0 3 326.440 2.509 10 10 EFCEHN CCCc1ncc(CNCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000825084251 1278408410 /nfs/dbraw/zinc/40/84/10/1278408410.db2.gz CSLMNQKGRXRRLP-UHFFFAOYSA-N 0 3 328.460 2.669 10 10 EFCEHN OCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000740899868 1269167147 /nfs/dbraw/zinc/16/71/47/1269167147.db2.gz GKGZEFOLSRFAIC-KRWDZBQOSA-N 0 3 332.469 2.798 10 10 EFCEHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1F ZINC000742392852 1270019680 /nfs/dbraw/zinc/01/96/80/1270019680.db2.gz TUQWQBOSYBBDFQ-JOQOYGCGSA-N 0 3 333.451 2.771 10 10 EFCEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362598 1276520268 /nfs/dbraw/zinc/52/02/68/1276520268.db2.gz YBAKHDBKQZUGFI-QAPCUYQASA-N 0 3 343.471 2.865 10 10 EFCEHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)[C@H]1n1cccn1 ZINC000815167234 1287363189 /nfs/dbraw/zinc/36/31/89/1287363189.db2.gz VNJQEMDRGVBIKF-KBAYOESNSA-N 0 3 332.423 2.597 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c([O-])c1 ZINC000846106000 1280035860 /nfs/dbraw/zinc/03/58/60/1280035860.db2.gz ADDVUDDNBFUVBD-MRXNPFEDSA-N 0 3 328.412 2.657 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1[O-] ZINC000872127425 1287436644 /nfs/dbraw/zinc/43/66/44/1287436644.db2.gz SPKLPWZTVNKRQF-FXPVBKGRSA-N 0 3 330.222 2.585 10 10 EFCEHN CN(C)c1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1F ZINC000810266236 1283081522 /nfs/dbraw/zinc/08/15/22/1283081522.db2.gz XXANKTPIONUSQT-SFHVURJKSA-N 0 3 339.430 2.720 10 10 EFCEHN COc1cc(Br)cc(C[NH2+]CC2=CCOCC2)c1[O-] ZINC000824597864 1289718688 /nfs/dbraw/zinc/71/86/88/1289718688.db2.gz YJEDXTVTVPZUJZ-UHFFFAOYSA-N 0 3 328.206 2.600 10 10 EFCEHN CCOc1ccc(C[NH2+][C@H](CC(=O)NC)c2ccccc2)c([O-])c1 ZINC000795604777 1290646264 /nfs/dbraw/zinc/64/62/64/1290646264.db2.gz KHLORRHLPAIFLQ-QGZVFWFLSA-N 0 3 328.412 2.758 10 10 EFCEHN CCOc1ccc(O)c(CN[C@@H](CC(=O)NC)c2ccccc2)c1 ZINC000795608167 1290653559 /nfs/dbraw/zinc/65/35/59/1290653559.db2.gz XAANYYULKRYPOQ-KRWDZBQOSA-N 0 3 328.412 2.758 10 10 EFCEHN COc1ccc(N2CCC(NCc3cc(OC)cnc3F)CC2)cc1 ZINC000876998615 1291101368 /nfs/dbraw/zinc/10/13/68/1291101368.db2.gz KKFGARGSYMGGOV-UHFFFAOYSA-N 0 3 345.418 2.997 10 10 EFCEHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(N)C(F)(F)F ZINC000826035957 1291623612 /nfs/dbraw/zinc/62/36/12/1291623612.db2.gz QGAYJBSNMIODRE-CQSZACIVSA-N 0 3 329.366 2.525 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001273991184 1294059155 /nfs/dbraw/zinc/05/91/55/1294059155.db2.gz ORLOJKYDLXKAIW-DDKKJVIOSA-N 0 3 346.471 2.582 10 10 EFCEHN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@@H]1CCCO1 ZINC000775703740 1294173663 /nfs/dbraw/zinc/17/36/63/1294173663.db2.gz WOOFYSFNQDGIJA-HNNXBMFYSA-N 0 3 341.835 2.898 10 10 EFCEHN COC(=O)CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@@H]1CCCO1 ZINC000775703740 1294173667 /nfs/dbraw/zinc/17/36/67/1294173667.db2.gz WOOFYSFNQDGIJA-HNNXBMFYSA-N 0 3 341.835 2.898 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCC[C@H]2OC)cc1C ZINC001274141512 1295501915 /nfs/dbraw/zinc/50/19/15/1295501915.db2.gz IMBYYACZCVMODF-MSIWKICXSA-N 0 3 346.471 2.581 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001274222974 1295593787 /nfs/dbraw/zinc/59/37/87/1295593787.db2.gz YPQHBZQWOFTSRN-OQRUQETBSA-N 0 3 328.456 2.956 10 10 EFCEHN COC(=O)/C=C\c1ccc(N2CCN(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000931323357 1297327467 /nfs/dbraw/zinc/32/74/67/1297327467.db2.gz QXUIIRMSTGJNAN-ALCCZGGFSA-N 0 3 347.415 2.559 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000852413189 1299693713 /nfs/dbraw/zinc/69/37/13/1299693713.db2.gz PZVKGTDFVVLBRP-CHWSQXEVSA-N 0 3 335.448 2.634 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](CCF)C2)cc1 ZINC000852532427 1299742211 /nfs/dbraw/zinc/74/22/11/1299742211.db2.gz HTGCJJOSKLNYLB-MRXNPFEDSA-N 0 3 335.467 2.783 10 10 EFCEHN CN1CCCc2cc(CNC(=O)C[C@@H]3NCc4ccccc43)ccc21 ZINC000852798789 1299893268 /nfs/dbraw/zinc/89/32/68/1299893268.db2.gz NYJAMLKSNGPZLU-IBGZPJMESA-N 0 3 335.451 2.920 10 10 EFCEHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)n1-c1ccccc1C ZINC000852870833 1299922959 /nfs/dbraw/zinc/92/29/59/1299922959.db2.gz YPGCBZKRKXTITJ-IAGOWNOFSA-N 0 3 329.419 2.914 10 10 EFCEHN CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(C)cc1[O-] ZINC000794819217 1303182292 /nfs/dbraw/zinc/18/22/92/1303182292.db2.gz YLYSFAJGUCTEQU-INIZCTEOSA-N 0 3 325.474 2.956 10 10 EFCEHN COc1ccc(N2CC[C@@H](CNCc3cn(C4CC4)cn3)C2)cc1 ZINC000865609524 1303331907 /nfs/dbraw/zinc/33/19/07/1303331907.db2.gz WSMHTXPZNLZEAL-HNNXBMFYSA-N 0 3 326.444 2.843 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1[O-] ZINC000865858247 1303429688 /nfs/dbraw/zinc/42/96/88/1303429688.db2.gz AQNOIRQAVGNSSR-HIFRSBDPSA-N 0 3 342.233 2.965 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1[O-] ZINC000866416310 1303631351 /nfs/dbraw/zinc/63/13/51/1303631351.db2.gz RZQHUBSZGALSJL-KKZNHRDASA-N 0 3 330.222 2.585 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1[O-] ZINC000866416309 1303631765 /nfs/dbraw/zinc/63/17/65/1303631765.db2.gz RZQHUBSZGALSJL-ATZCPNFKSA-N 0 3 330.222 2.585 10 10 EFCEHN CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000870271661 1305235166 /nfs/dbraw/zinc/23/51/66/1305235166.db2.gz ZOAFMQBTGWUIKQ-UHFFFAOYSA-N 0 3 332.444 2.887 10 10 EFCEHN COc1ccc(O)c(CNC(=O)c2ccc(NC3=NCCC3)cc2)c1 ZINC000901134484 1309572043 /nfs/dbraw/zinc/57/20/43/1309572043.db2.gz YVTOJGOVKLQGKN-UHFFFAOYSA-N 0 3 339.395 2.935 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@]3(C)CCCOC3)CC2)cc1C ZINC001277208814 1311806122 /nfs/dbraw/zinc/80/61/22/1311806122.db2.gz ILYJMHZUNAETML-LJQANCHMSA-N 0 3 346.471 2.559 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@]3(C)CCCOC3)CC2)cc1C ZINC001277208813 1311806282 /nfs/dbraw/zinc/80/62/82/1311806282.db2.gz ILYJMHZUNAETML-IBGZPJMESA-N 0 3 346.471 2.559 10 10 EFCEHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000903223244 1312477174 /nfs/dbraw/zinc/47/71/74/1312477174.db2.gz YOSDRPHWPVSIPC-LLVKDONJSA-N 0 3 349.456 2.548 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c1[O-] ZINC000903300143 1312549951 /nfs/dbraw/zinc/54/99/51/1312549951.db2.gz HDKYLPKSMGTRCT-CWSCBRNRSA-N 0 3 343.265 2.907 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCN2C)c1[O-] ZINC000903317460 1312564939 /nfs/dbraw/zinc/56/49/39/1312564939.db2.gz TYODKBHZAAXIGJ-ONGXEEELSA-N 0 3 329.238 2.518 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1[O-] ZINC000903393659 1312628121 /nfs/dbraw/zinc/62/81/21/1312628121.db2.gz QZQFRNFJTQDEAW-HOTUBEGUSA-N 0 3 330.222 2.849 10 10 EFCEHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC001251400362 1315346258 /nfs/dbraw/zinc/34/62/58/1315346258.db2.gz HUIAOSUQXQDXCM-PBHICJAKSA-N 0 3 332.492 2.843 10 10 EFCEHN Cc1cc(Cl)cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544797 1315997972 /nfs/dbraw/zinc/99/79/72/1315997972.db2.gz KXDWZZBAPPIOLZ-AWEZNQCLSA-N 0 3 325.840 2.542 10 10 EFCEHN COc1ccc(O)c(CN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000827941037 1316036017 /nfs/dbraw/zinc/03/60/17/1316036017.db2.gz BFTCPHMVGBHSSS-SFHVURJKSA-N 0 3 328.412 2.789 10 10 EFCEHN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000382731308 1316556658 /nfs/dbraw/zinc/55/66/58/1316556658.db2.gz GZASXVCALHEBJN-AWEZNQCLSA-N 0 3 336.432 2.977 10 10 EFCEHN CCc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)N(C)C)cc1 ZINC001290311273 1321897538 /nfs/dbraw/zinc/89/75/38/1321897538.db2.gz VITVCVDRDFDJIB-KRWDZBQOSA-N 0 3 342.439 2.622 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cncc(F)c2)cc1C ZINC001321023945 1329332673 /nfs/dbraw/zinc/33/26/73/1329332673.db2.gz KCRKFIWUSYGGMV-ARJAWSKDSA-N 0 3 343.402 2.614 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CC34CCC4)CC2)cc1C ZINC001323556185 1329551382 /nfs/dbraw/zinc/55/13/82/1329551382.db2.gz UPDJWRMPQCWBMB-INIZCTEOSA-N 0 3 328.456 2.932 10 10 EFCEHN CCCN1CCCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001329032840 1330659367 /nfs/dbraw/zinc/65/93/67/1330659367.db2.gz SXSPYUCDBBNLEQ-INIZCTEOSA-N 0 3 327.428 2.821 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CCO)c1[O-] ZINC000848531419 1334777570 /nfs/dbraw/zinc/77/75/70/1334777570.db2.gz ODOJXUTXMGKLIA-ZJUUUORDSA-N 0 3 332.238 2.832 10 10 EFCEHN COc1cc(Br)cc([C@H](C)NCc2cnn(C)c2)c1O ZINC000848523436 1334772151 /nfs/dbraw/zinc/77/21/51/1334772151.db2.gz FJEPQJPLSHWTTQ-VIFPVBQESA-N 0 3 340.221 2.748 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1[O-] ZINC000848523975 1334772902 /nfs/dbraw/zinc/77/29/02/1334772902.db2.gz PAHZNVXVAJARRR-ZYHUDNBSSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)C2CC2)c1[O-] ZINC000848534710 1334780462 /nfs/dbraw/zinc/78/04/62/1334780462.db2.gz UFNMGKZBBBCPNL-ZANVPECISA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000848536636 1334783517 /nfs/dbraw/zinc/78/35/17/1334783517.db2.gz SAOPGQWODPARAW-JOYOIKCWSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000848546557 1334787912 /nfs/dbraw/zinc/78/79/12/1334787912.db2.gz BCBNUHZEAGSXFD-ZEGGKSINSA-N 0 3 344.249 2.973 10 10 EFCEHN Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1O ZINC001456936455 1394875126 /nfs/dbraw/zinc/87/51/26/1394875126.db2.gz SMKPGZPTLIOSOT-GOSISDBHSA-N 0 3 341.455 2.799 10 10 EFCEHN CC1(C)CCCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001467538442 1396866910 /nfs/dbraw/zinc/86/69/10/1396866910.db2.gz WQPCLXLPWBLCQC-UHFFFAOYSA-N 0 3 331.420 2.701 10 10 EFCEHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001469657875 1397046195 /nfs/dbraw/zinc/04/61/95/1397046195.db2.gz BJFGTIWNZDCJBO-KSSFIOAISA-N 0 3 332.492 2.843 10 10 EFCEHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCC1 ZINC001469657874 1397046538 /nfs/dbraw/zinc/04/65/38/1397046538.db2.gz BJFGTIWNZDCJBO-KDOFPFPSSA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@]2(C)CC2(C)C)N(C)C)cc1 ZINC001471548190 1397182631 /nfs/dbraw/zinc/18/26/31/1397182631.db2.gz RLRUWJCNBFVZTP-QFBILLFUSA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@]2(C)CC2(C)C)N(C)C)cc1 ZINC001471548188 1397183220 /nfs/dbraw/zinc/18/32/20/1397183220.db2.gz RLRUWJCNBFVZTP-APWZRJJASA-N 0 3 332.492 2.843 10 10 EFCEHN C[C@H](CN1CCOCC1)C[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001473262905 1397292855 /nfs/dbraw/zinc/29/28/55/1397292855.db2.gz NDPMJMMPMXJPSM-QGZVFWFLSA-N 0 3 344.455 2.956 10 10 EFCEHN C[C@H](CN1CCOCC1)C[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001473262905 1397292857 /nfs/dbraw/zinc/29/28/57/1397292857.db2.gz NDPMJMMPMXJPSM-QGZVFWFLSA-N 0 3 344.455 2.956 10 10 EFCEHN CCCCN(CC(=O)N1CCOC(C)(C)C1)Cc1ccccc1O ZINC001473424760 1397301804 /nfs/dbraw/zinc/30/18/04/1397301804.db2.gz QGRFHUJYQBKXCX-UHFFFAOYSA-N 0 3 334.460 2.632 10 10 EFCEHN CC[C@H](F)CN(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001479815745 1397911270 /nfs/dbraw/zinc/91/12/70/1397911270.db2.gz IHXWWHBIEBRYCN-ZDUSSCGKSA-N 0 3 337.399 2.649 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@H](F)C2)cc1C ZINC001497661524 1401530016 /nfs/dbraw/zinc/53/00/16/1401530016.db2.gz PBYHGJKGANFDMG-YRLOJYSSSA-N 0 3 334.435 2.904 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[C@@H](F)C2)cc1C ZINC001497661521 1401530268 /nfs/dbraw/zinc/53/02/68/1401530268.db2.gz PBYHGJKGANFDMG-NMBNSIPYSA-N 0 3 334.435 2.904 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC001557290286 1415117829 /nfs/dbraw/zinc/11/78/29/1415117829.db2.gz YKKIXYWBZVWDFN-LSDHHAIUSA-N 0 3 329.404 2.596 10 10 EFCEHN COc1ccc(N(C)CCN(C)CCNC(=O)OC(C)(C)C)cc1 ZINC001559966738 1415259973 /nfs/dbraw/zinc/25/99/73/1415259973.db2.gz JTSKMUWZKXUOAP-UHFFFAOYSA-N 0 3 337.464 2.588 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC2CC(C)(C)C2)N(C)C)cc1 ZINC001565110454 1415390235 /nfs/dbraw/zinc/39/02/35/1415390235.db2.gz ZZLKIUHTKMREJZ-KRWDZBQOSA-N 0 3 332.492 2.843 10 10 EFCEHN CC(C)C1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001684608058 1416724639 /nfs/dbraw/zinc/72/46/39/1416724639.db2.gz ZPBMXGCKQKPBHL-KRWDZBQOSA-N 0 3 332.492 2.843 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+](C)C2CCN(C)CC2)c1[O-] ZINC000160954269 1418547918 /nfs/dbraw/zinc/54/79/18/1418547918.db2.gz BAKXDYCYQXYLNQ-UHFFFAOYSA-N 0 3 327.266 2.989 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+](C)C2CCN(C)CC2)c1[O-] ZINC000160954269 1418547922 /nfs/dbraw/zinc/54/79/22/1418547922.db2.gz BAKXDYCYQXYLNQ-UHFFFAOYSA-N 0 3 327.266 2.989 10 10 EFCEHN COc1ccc(C[NH2+]CCN(C)C(=O)c2ccccc2[O-])cc1C ZINC001713572624 1418557519 /nfs/dbraw/zinc/55/75/19/1418557519.db2.gz MPZQAYTVNPGJIJ-UHFFFAOYSA-N 0 3 328.412 2.571 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccnc(C)c2)cc1C ZINC001716355961 1418797115 /nfs/dbraw/zinc/79/71/15/1418797115.db2.gz IQHWVIVLHRUHGY-SNAWJCMRSA-N 0 3 339.439 2.783 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)Cc3ccccc3)CC2)cc1C ZINC001716686045 1418957928 /nfs/dbraw/zinc/95/79/28/1418957928.db2.gz VYJAMQFRQVMKTH-UHFFFAOYSA-N 0 3 338.451 2.985 10 10 EFCEHN CCCN1CCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804738434 713456107 /nfs/dbraw/zinc/45/61/07/713456107.db2.gz PXOZOBBOMPHXCC-ZDUSSCGKSA-N 0 3 341.249 2.645 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000052552461 716295794 /nfs/dbraw/zinc/29/57/94/716295794.db2.gz XFUMQLPLIBDNTJ-QGZVFWFLSA-N 0 3 332.492 2.816 10 10 EFCEHN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1 ZINC000895810192 724320415 /nfs/dbraw/zinc/32/04/15/724320415.db2.gz IIFFZXYBSNOGHL-LLVKDONJSA-N 0 3 334.441 2.917 10 10 EFCEHN C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186198661 720450216 /nfs/dbraw/zinc/45/02/16/720450216.db2.gz VGIFOJRBZCYFCQ-STQMWFEESA-N 0 3 341.386 2.981 10 10 EFCEHN Cc1ccnc(N)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000894189526 721187147 /nfs/dbraw/zinc/18/71/47/721187147.db2.gz ABWRONSGTGOLKV-UHFFFAOYSA-N 0 3 328.485 2.815 10 10 EFCEHN CCC[C@@](C)(O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894254305 721758574 /nfs/dbraw/zinc/75/85/74/721758574.db2.gz NEEHULBNOHTVOT-GOSISDBHSA-N 0 3 336.407 2.745 10 10 EFCEHN COC(=O)c1c(CNC[C@@H]2CCC=CO2)c2cc(F)ccc2n1C ZINC000894530795 722773455 /nfs/dbraw/zinc/77/34/55/722773455.db2.gz MSKXPNNLUQZGPJ-ZDUSSCGKSA-N 0 3 332.375 2.886 10 10 EFCEHN CC[C@H]1[C@H](CO)CCN1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881363 722937273 /nfs/dbraw/zinc/93/72/73/722937273.db2.gz OQGUHXHKTUEPIX-LRDDRELGSA-N 0 3 348.418 2.697 10 10 EFCEHN COc1cc(C)cc(CNCc2c(C(F)(F)F)cnn2C)c1O ZINC000895388101 724101344 /nfs/dbraw/zinc/10/13/44/724101344.db2.gz GJHZKGUNTHRYAN-UHFFFAOYSA-N 0 3 329.322 2.751 10 10 EFCEHN COC(=O)c1c(CN2CC[C@@H](C(C)(C)O)C2)c2cc(F)ccc2n1C ZINC000895477335 724154101 /nfs/dbraw/zinc/15/41/01/724154101.db2.gz IHAZUIHWDRRMTA-GFCCVEGCSA-N 0 3 348.418 2.697 10 10 EFCEHN C[NH+](C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)Cc1ccccc1 ZINC000913888722 725921762 /nfs/dbraw/zinc/92/17/62/725921762.db2.gz KQDNNJMUZISYEF-OAHLLOKOSA-N 0 3 345.418 2.503 10 10 EFCEHN CC(C)N1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000907434226 726941511 /nfs/dbraw/zinc/94/15/11/726941511.db2.gz YXPTWRYZHZVSQO-GFCCVEGCSA-N 0 3 334.441 2.915 10 10 EFCEHN COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccccc2[O-])cc1C ZINC001268515630 1097113393 /nfs/dbraw/zinc/11/33/93/1097113393.db2.gz XKZIVJKUVNWKCN-AATRIKPKSA-N 0 3 340.423 2.785 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)Cc2ccco2)cc1C ZINC001268609555 1097456784 /nfs/dbraw/zinc/45/67/84/1097456784.db2.gz UJOATMDZSMSWTB-ARJAWSKDSA-N 0 3 328.412 2.601 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)Cc2ccco2)cc1C ZINC001268609557 1097457212 /nfs/dbraw/zinc/45/72/12/1097457212.db2.gz UJOATMDZSMSWTB-ONEGZZNKSA-N 0 3 328.412 2.601 10 10 EFCEHN CN1CCCc2cc(CN3CCC4(CCCNC4=O)CC3)ccc21 ZINC000012132383 1099103443 /nfs/dbraw/zinc/10/34/43/1099103443.db2.gz WONMLYMOXQWPTB-UHFFFAOYSA-N 0 3 327.472 2.561 10 10 EFCEHN CCc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001618641990 1099310448 /nfs/dbraw/zinc/31/04/48/1099310448.db2.gz CYEVMUWCANHGRS-IBGZPJMESA-N 0 3 340.471 2.743 10 10 EFCEHN C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001620504771 1099355893 /nfs/dbraw/zinc/35/58/93/1099355893.db2.gz ABQULOOJCXVYNN-GFCCVEGCSA-N 0 3 329.356 2.980 10 10 EFCEHN CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2cccc(O)c2[O-])CC1 ZINC001632164613 1100456768 /nfs/dbraw/zinc/45/67/68/1100456768.db2.gz ATHJSLFDLYRACK-OAHLLOKOSA-N 0 3 332.444 2.824 10 10 EFCEHN CC[C@@H](C)CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635635688 1100671179 /nfs/dbraw/zinc/67/11/79/1100671179.db2.gz RKBVPTKTBPEXEV-RHSMWYFYSA-N 0 3 336.480 2.632 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000848512975 1101466081 /nfs/dbraw/zinc/46/60/81/1101466081.db2.gz BPSJYKNQIRCNSI-GXSJLCMTSA-N 0 3 330.222 2.993 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2N)N(C)C)cc1 ZINC001653421172 1101621178 /nfs/dbraw/zinc/62/11/78/1101621178.db2.gz JICKYLVDGWTWJJ-SFHVURJKSA-N 0 3 344.434 2.507 10 10 EFCEHN COc1ccc(N2CCN(CC3(O)CCCCCC3)CC2)c(OC)c1 ZINC001655378998 1101819815 /nfs/dbraw/zinc/81/98/15/1101819815.db2.gz WJSKSUJGPVQDEM-UHFFFAOYSA-N 0 3 348.487 2.911 10 10 EFCEHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)N(C)C)CC3)c2c1 ZINC000042912770 1107949805 /nfs/dbraw/zinc/94/98/05/1107949805.db2.gz RWAUSAXSWZFUFV-UHFFFAOYSA-N 0 3 342.439 2.854 10 10 EFCEHN CCO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000926958597 1108268681 /nfs/dbraw/zinc/26/86/81/1108268681.db2.gz GYVMDHIENLCPAQ-WCQYABFASA-N 0 3 345.281 2.772 10 10 EFCEHN CCO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000926958596 1108268713 /nfs/dbraw/zinc/26/87/13/1108268713.db2.gz GYVMDHIENLCPAQ-DGCLKSJQSA-N 0 3 345.281 2.772 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1C ZINC001483778713 1112437865 /nfs/dbraw/zinc/43/78/65/1112437865.db2.gz LRZCUCWCQFNDMU-DOTOQJQBSA-N 0 3 346.471 2.557 10 10 EFCEHN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000174447556 239232759 /nfs/dbraw/zinc/23/27/59/239232759.db2.gz CQXNVTDWYSMAFR-MAUKXSAKSA-N 0 3 344.503 2.693 10 10 EFCEHN COc1ccnc(NC2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000191691144 240003332 /nfs/dbraw/zinc/00/33/32/240003332.db2.gz KLJRTAIXMFGSRF-UHFFFAOYSA-N 0 3 341.459 2.628 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813673 240065435 /nfs/dbraw/zinc/06/54/35/240065435.db2.gz WBOUHHPNBWUHLY-KBPBESRZSA-N 0 3 328.416 2.510 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943057 240192230 /nfs/dbraw/zinc/19/22/30/240192230.db2.gz OCBNPMUKEBODND-AWEZNQCLSA-N 0 3 346.431 2.620 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943057 240192239 /nfs/dbraw/zinc/19/22/39/240192239.db2.gz OCBNPMUKEBODND-AWEZNQCLSA-N 0 3 346.431 2.620 10 10 EFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000248498590 240291092 /nfs/dbraw/zinc/29/10/92/240291092.db2.gz MHVASJVFODTJRV-YTQUADARSA-N 0 3 340.467 2.987 10 10 EFCEHN Cc1ccncc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000280042032 240855066 /nfs/dbraw/zinc/85/50/66/240855066.db2.gz VLFHSVUVBFAVRJ-UHFFFAOYSA-N 0 3 325.456 2.889 10 10 EFCEHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CC2 ZINC000296413415 241084752 /nfs/dbraw/zinc/08/47/52/241084752.db2.gz LAGGOPNGEJGKET-MRXNPFEDSA-N 0 3 343.402 2.540 10 10 EFCEHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000174447571 533586762 /nfs/dbraw/zinc/58/67/62/533586762.db2.gz CQXNVTDWYSMAFR-QAPCUYQASA-N 0 3 344.503 2.693 10 10 EFCEHN CC(C)CN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000032888222 277381133 /nfs/dbraw/zinc/38/11/33/277381133.db2.gz QTWDCEXJKPRUMA-QGZVFWFLSA-N 0 3 337.485 2.526 10 10 EFCEHN COc1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190491242 473294016 /nfs/dbraw/zinc/29/40/16/473294016.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 0 3 341.455 2.750 10 10 EFCEHN COc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190491242 473294021 /nfs/dbraw/zinc/29/40/21/473294021.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 0 3 341.455 2.750 10 10 EFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991915 473294871 /nfs/dbraw/zinc/29/48/71/473294871.db2.gz SWIBOQUYTRMZNW-LPHOPBHVSA-N 0 3 340.467 2.770 10 10 EFCEHN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185272335 473383082 /nfs/dbraw/zinc/38/30/82/473383082.db2.gz TYUNUTOIQZMULS-GFCCVEGCSA-N 0 3 349.381 2.753 10 10 EFCEHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000113359195 473387893 /nfs/dbraw/zinc/38/78/93/473387893.db2.gz YIRJLSSTPOFQNF-INIZCTEOSA-N 0 3 332.835 2.590 10 10 EFCEHN CC(C)N(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000042096007 472112965 /nfs/dbraw/zinc/11/29/65/472112965.db2.gz PUJNUNIJLYGNAE-UHFFFAOYSA-N 0 3 330.472 2.960 10 10 EFCEHN CCCN(CC(=O)NCc1ccc(OC)cc1)Cc1ccccc1O ZINC000069009986 472277935 /nfs/dbraw/zinc/27/79/35/472277935.db2.gz UUMCZTCLTAXBHL-UHFFFAOYSA-N 0 3 342.439 2.929 10 10 EFCEHN Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459641 472350019 /nfs/dbraw/zinc/35/00/19/472350019.db2.gz IIONPCPZRZFWPS-CVEARBPZSA-N 0 3 346.450 2.907 10 10 EFCEHN Cc1nc2n(n1)C[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000069772781 472425172 /nfs/dbraw/zinc/42/51/72/472425172.db2.gz HUHDWVLRYJQBSY-KRWDZBQOSA-N 0 3 325.460 2.681 10 10 EFCEHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000097160015 472468143 /nfs/dbraw/zinc/46/81/43/472468143.db2.gz MCBDZHSWTKEUII-UHFFFAOYSA-N 0 3 328.460 2.525 10 10 EFCEHN c1cc(N2CCCCC2)ccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000120966650 472775327 /nfs/dbraw/zinc/77/53/27/472775327.db2.gz ZURBFAUXILUXCZ-FQEVSTJZSA-N 0 3 329.488 2.583 10 10 EFCEHN COc1ccc(O)c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407753 473418223 /nfs/dbraw/zinc/41/82/23/473418223.db2.gz RMHFDGCOMVSQDU-KSSFIOAISA-N 0 3 342.439 2.751 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(F)ccc2[O-])ncn1 ZINC000185992844 473566833 /nfs/dbraw/zinc/56/68/33/473566833.db2.gz CHAABBZZFHZYMI-TZMCWYRMSA-N 0 3 345.422 2.683 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050852 473579415 /nfs/dbraw/zinc/57/94/15/473579415.db2.gz PBVWBTCKNQXWRT-UONOGXRCSA-N 0 3 328.416 2.510 10 10 EFCEHN CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1[O-] ZINC000186338425 473653676 /nfs/dbraw/zinc/65/36/76/473653676.db2.gz VCFASMSCFOTKKL-HOTGVXAUSA-N 0 3 342.443 2.670 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179466394 473689741 /nfs/dbraw/zinc/68/97/41/473689741.db2.gz BREGTARULVIIMM-HKUYNNGSSA-N 0 3 339.439 2.979 10 10 EFCEHN COc1ccc([O-])c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000179611755 473698631 /nfs/dbraw/zinc/69/86/31/473698631.db2.gz WPVOFARIQWFADQ-UHFFFAOYSA-N 0 3 338.411 2.823 10 10 EFCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000180120765 473804251 /nfs/dbraw/zinc/80/42/51/473804251.db2.gz PPAJXVKKTLCPQT-OAHLLOKOSA-N 0 3 330.432 2.521 10 10 EFCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000180120765 473804256 /nfs/dbraw/zinc/80/42/56/473804256.db2.gz PPAJXVKKTLCPQT-OAHLLOKOSA-N 0 3 330.432 2.521 10 10 EFCEHN COc1ccc(N2CCN(CCN[C@H](C)c3ccncc3)CC2)cc1 ZINC000271062518 474392198 /nfs/dbraw/zinc/39/21/98/474392198.db2.gz HKCDJLYEAISZHK-QGZVFWFLSA-N 0 3 340.471 2.563 10 10 EFCEHN COc1cc([O-])c(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1OC ZINC000290067323 474545671 /nfs/dbraw/zinc/54/56/71/474545671.db2.gz FOYPGVJBVBEEKL-CQSZACIVSA-N 0 3 333.359 2.642 10 10 EFCEHN Cc1cc(Cl)cc(CN2CCC([N@H+](C)CCCO)CC2)c1[O-] ZINC000271744261 474589028 /nfs/dbraw/zinc/58/90/28/474589028.db2.gz APFMUUKZVTVXFX-UHFFFAOYSA-N 0 3 326.868 2.633 10 10 EFCEHN Cc1cc(Cl)cc(CN2CCC([N@@H+](C)CCCO)CC2)c1[O-] ZINC000271744261 474589030 /nfs/dbraw/zinc/58/90/30/474589030.db2.gz APFMUUKZVTVXFX-UHFFFAOYSA-N 0 3 326.868 2.633 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000271858955 474596908 /nfs/dbraw/zinc/59/69/08/474596908.db2.gz VMCVSBGRZDPGEQ-SJORKVTESA-N 0 3 335.831 2.928 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338077 474614157 /nfs/dbraw/zinc/61/41/57/474614157.db2.gz CFLMTIHSJRXEON-GJZGRUSLSA-N 0 3 344.459 2.762 10 10 EFCEHN CN(Cc1cccs1)c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000294763951 475081130 /nfs/dbraw/zinc/08/11/30/475081130.db2.gz IYSKZWCLDAWFGX-OAHLLOKOSA-N 0 3 344.484 2.627 10 10 EFCEHN CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@@H](O)C(F)F ZINC000295111212 475103646 /nfs/dbraw/zinc/10/36/46/475103646.db2.gz VATRAAOQWVWMFN-ZYHUDNBSSA-N 0 3 338.192 2.957 10 10 EFCEHN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295172197 475108859 /nfs/dbraw/zinc/10/88/59/475108859.db2.gz UMQRKODYLRPFGT-UXHICEINSA-N 0 3 329.488 2.582 10 10 EFCEHN CCOc1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1[O-] ZINC000369406893 476414593 /nfs/dbraw/zinc/41/45/93/476414593.db2.gz CVPLCMSNQWZMAG-UHFFFAOYSA-N 0 3 342.443 2.708 10 10 EFCEHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000373973381 476443960 /nfs/dbraw/zinc/44/39/60/476443960.db2.gz BHWFGAWXMPGMDY-VCBZYWHSSA-N 0 3 335.444 2.949 10 10 EFCEHN Cn1nccc1C1=CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000377703761 476534293 /nfs/dbraw/zinc/53/42/93/476534293.db2.gz QUODIPMUVORGJZ-UHFFFAOYSA-N 0 3 338.455 2.546 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378373432 476702199 /nfs/dbraw/zinc/70/21/99/476702199.db2.gz CVHNKINRLCDPEW-QFBILLFUSA-N 0 3 345.443 2.613 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378373432 476702209 /nfs/dbraw/zinc/70/22/09/476702209.db2.gz CVHNKINRLCDPEW-QFBILLFUSA-N 0 3 345.443 2.613 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378373429 476703759 /nfs/dbraw/zinc/70/37/59/476703759.db2.gz CVHNKINRLCDPEW-LPHOPBHVSA-N 0 3 345.443 2.613 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378373429 476703768 /nfs/dbraw/zinc/70/37/68/476703768.db2.gz CVHNKINRLCDPEW-LPHOPBHVSA-N 0 3 345.443 2.613 10 10 EFCEHN Cc1cncc(/C=C/C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC000372095861 477638269 /nfs/dbraw/zinc/63/82/69/477638269.db2.gz QDLDQDRBCMOONX-KBOKABMXSA-N 0 3 337.423 2.759 10 10 EFCEHN CCOc1cccc(CNC[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000527747502 478501163 /nfs/dbraw/zinc/50/11/63/478501163.db2.gz YLTBECQJJKQOGL-CYBMUJFWSA-N 0 3 329.322 2.881 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1[O-] ZINC000527765800 478509072 /nfs/dbraw/zinc/50/90/72/478509072.db2.gz JTZMLRWAFVWKGF-ZUZCIYMTSA-N 0 3 342.233 2.820 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c([O-])c1 ZINC000527804025 478527748 /nfs/dbraw/zinc/52/77/48/478527748.db2.gz ACTCOZJGNKADCN-QGZVFWFLSA-N 0 3 326.396 2.707 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1[O-] ZINC000527958801 478588533 /nfs/dbraw/zinc/58/85/33/478588533.db2.gz WVTFXWFNBGAKNF-LEWSCRJBSA-N 0 3 344.249 2.654 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171903026 528301224 /nfs/dbraw/zinc/30/12/24/528301224.db2.gz XNJNYPNOZJEWMU-GOSISDBHSA-N 0 3 330.476 2.522 10 10 EFCEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000298961450 535940094 /nfs/dbraw/zinc/94/00/94/535940094.db2.gz XGITUVHDSIIOOW-GOSISDBHSA-N 0 3 341.455 2.707 10 10 EFCEHN CCc1ccc(CNCCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000760662141 576058911 /nfs/dbraw/zinc/05/89/11/576058911.db2.gz HKFGQSVEYMHDOA-UHFFFAOYSA-N 0 3 343.471 2.762 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[O-] ZINC000762485980 576306630 /nfs/dbraw/zinc/30/66/30/576306630.db2.gz LREAKGZUBDZVQK-CABZTGNLSA-N 0 3 330.222 2.678 10 10 EFCEHN COc1ccc2ccc(O)c(CN3CCN4C(=O)OCC[C@H]4C3)c2c1 ZINC000763313784 576372127 /nfs/dbraw/zinc/37/21/27/576372127.db2.gz JWLATWUEWKAYCN-AWEZNQCLSA-N 0 3 342.395 2.581 10 10 EFCEHN CC[S@](=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938671 577089997 /nfs/dbraw/zinc/08/99/97/577089997.db2.gz ABQDNMCKEOYENH-XMHCIUCPSA-N 0 3 344.908 2.596 10 10 EFCEHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464040 577275951 /nfs/dbraw/zinc/27/59/51/577275951.db2.gz MTBCDYWWTMNZLM-UYAOXDASSA-N 0 3 325.408 2.982 10 10 EFCEHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464040 577275953 /nfs/dbraw/zinc/27/59/53/577275953.db2.gz MTBCDYWWTMNZLM-UYAOXDASSA-N 0 3 325.408 2.982 10 10 EFCEHN c1csc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000768669203 577293735 /nfs/dbraw/zinc/29/37/35/577293735.db2.gz FJVSCSRIEHJSQM-UHFFFAOYSA-N 0 3 342.512 2.965 10 10 EFCEHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000769225726 577345786 /nfs/dbraw/zinc/34/57/86/577345786.db2.gz PKRITRQBIZIPQS-CQSZACIVSA-N 0 3 334.460 2.774 10 10 EFCEHN CN(Cc1cccc(Br)c1[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769325955 577352225 /nfs/dbraw/zinc/35/22/25/577352225.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 0 3 325.250 2.823 10 10 EFCEHN CN(Cc1cccc(Br)c1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000769325955 577352226 /nfs/dbraw/zinc/35/22/26/577352226.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 0 3 325.250 2.823 10 10 EFCEHN COc1cccc(CNc2ccc(CN3CCC(O)CC3)cc2)c1O ZINC000770410979 577416365 /nfs/dbraw/zinc/41/63/65/577416365.db2.gz AEMQZPIBIDKBNH-UHFFFAOYSA-N 0 3 342.439 2.970 10 10 EFCEHN C[C@H](NC(=O)NCCN1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773216704 581406261 /nfs/dbraw/zinc/40/62/61/581406261.db2.gz BJJQSKBABKHEBF-CVEARBPZSA-N 0 3 332.492 2.987 10 10 EFCEHN CCOc1ccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c([O-])c1 ZINC000850343737 1250438470 /nfs/dbraw/zinc/43/84/70/1250438470.db2.gz WEAHHMFKXOLLDL-UHFFFAOYSA-N 0 3 328.412 2.717 10 10 EFCEHN CC(=O)NCc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000850343722 1250438774 /nfs/dbraw/zinc/43/87/74/1250438774.db2.gz VUAITZIYHWPDCV-UHFFFAOYSA-N 0 3 329.419 2.818 10 10 EFCEHN C[C@@H](O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419866 1250477685 /nfs/dbraw/zinc/47/76/85/1250477685.db2.gz IEMLAEPAGWXBIR-QRWLVFNGSA-N 0 3 344.430 2.874 10 10 EFCEHN C[C@H](O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419865 1250477823 /nfs/dbraw/zinc/47/78/23/1250477823.db2.gz IEMLAEPAGWXBIR-MGPUTAFESA-N 0 3 344.430 2.874 10 10 EFCEHN CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000850485600 1250503038 /nfs/dbraw/zinc/50/30/38/1250503038.db2.gz LXVKDKKFZFWZTF-HNNXBMFYSA-N 0 3 325.474 2.956 10 10 EFCEHN C[C@H]1C[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000850485900 1250502814 /nfs/dbraw/zinc/50/28/14/1250502814.db2.gz OUDQXPQUBKCNFD-WCQYABFASA-N 0 3 341.448 2.884 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)c1[O-] ZINC000850487194 1250504358 /nfs/dbraw/zinc/50/43/58/1250504358.db2.gz GGRQILUMCWVUEC-RNCFNFMXSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1ccc(O)c([C@@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500261 1250511048 /nfs/dbraw/zinc/51/10/48/1250511048.db2.gz FAENPRNKYPNFTA-WBMJQRKESA-N 0 3 326.396 2.639 10 10 EFCEHN COc1ccc(N2CCCN(CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000851733202 1251232949 /nfs/dbraw/zinc/23/29/49/1251232949.db2.gz NBPQPTJBWSKXHF-INIZCTEOSA-N 0 3 326.387 2.632 10 10 EFCEHN COC[C@H]1CC[N@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000739874914 1268769867 /nfs/dbraw/zinc/76/98/67/1268769867.db2.gz YEZROWXEOBDPMC-ZDUSSCGKSA-N 0 3 329.396 2.800 10 10 EFCEHN COC[C@H]1CC[N@@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000739874914 1268769876 /nfs/dbraw/zinc/76/98/76/1268769876.db2.gz YEZROWXEOBDPMC-ZDUSSCGKSA-N 0 3 329.396 2.800 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844271479 1278844358 /nfs/dbraw/zinc/84/43/58/1278844358.db2.gz QJGBTYLPFXWBGR-GOSISDBHSA-N 0 3 331.460 2.948 10 10 EFCEHN COCC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@H]1CCOC1 ZINC000787335503 1275748678 /nfs/dbraw/zinc/74/86/78/1275748678.db2.gz SWMVMQIWRXGXBB-AWEZNQCLSA-N 0 3 344.249 2.700 10 10 EFCEHN COCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@H]1CCOC1 ZINC000787335503 1275748684 /nfs/dbraw/zinc/74/86/84/1275748684.db2.gz SWMVMQIWRXGXBB-AWEZNQCLSA-N 0 3 344.249 2.700 10 10 EFCEHN C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817968003 1276410191 /nfs/dbraw/zinc/41/01/91/1276410191.db2.gz FVOXEAABULUDPO-RVBZMBCESA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969705 1276411917 /nfs/dbraw/zinc/41/19/17/1276411917.db2.gz YFOFFGCUZGKGNC-ZDMBXUJBSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971262 1276414759 /nfs/dbraw/zinc/41/47/59/1276414759.db2.gz LLDFHRGWQSPEKP-VYUIOLGVSA-N 0 3 331.229 2.942 10 10 EFCEHN NC(=O)CC1([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])CCC1 ZINC000789552374 1276814396 /nfs/dbraw/zinc/81/43/96/1276814396.db2.gz DXIWYDUVKYQODC-UHFFFAOYSA-N 0 3 340.423 2.859 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000846050186 1280001254 /nfs/dbraw/zinc/00/12/54/1280001254.db2.gz RVALYMQSONXKAW-HXUWFJFHSA-N 0 3 343.423 2.602 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000846050185 1280002884 /nfs/dbraw/zinc/00/28/84/1280002884.db2.gz RVALYMQSONXKAW-FQEVSTJZSA-N 0 3 343.423 2.602 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846123703 1280027475 /nfs/dbraw/zinc/02/74/75/1280027475.db2.gz VHQVIRPYHJEPAL-AWEZNQCLSA-N 0 3 348.830 2.920 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1[O-] ZINC000846123704 1280027800 /nfs/dbraw/zinc/02/78/00/1280027800.db2.gz VHQVIRPYHJEPAL-CQSZACIVSA-N 0 3 348.830 2.920 10 10 EFCEHN COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC001175419225 1287421797 /nfs/dbraw/zinc/42/17/97/1287421797.db2.gz UCRKCVYHXXZYDF-LLVKDONJSA-N 0 3 345.355 2.598 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809690209 1282374847 /nfs/dbraw/zinc/37/48/47/1282374847.db2.gz KIQWWJIYLXWSNE-LLVKDONJSA-N 0 3 348.340 2.812 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809690209 1282374855 /nfs/dbraw/zinc/37/48/55/1282374855.db2.gz KIQWWJIYLXWSNE-LLVKDONJSA-N 0 3 348.340 2.812 10 10 EFCEHN COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810347969 1283169152 /nfs/dbraw/zinc/16/91/52/1283169152.db2.gz OVVXSSVTRRYCCB-KPZWWZAWSA-N 0 3 338.423 2.791 10 10 EFCEHN COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000811517684 1284369005 /nfs/dbraw/zinc/36/90/05/1284369005.db2.gz ZKYBYIHOVLYRAD-CYBMUJFWSA-N 0 3 332.238 2.604 10 10 EFCEHN CC1(C)[C@@H](O)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812778961 1285411959 /nfs/dbraw/zinc/41/19/59/1285411959.db2.gz RVZBTDXUPOKBAM-KRWDZBQOSA-N 0 3 333.432 2.930 10 10 EFCEHN CC(C)[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](O)CO ZINC000817417842 1288594136 /nfs/dbraw/zinc/59/41/36/1288594136.db2.gz SRITZUMTGDGTIP-GOSISDBHSA-N 0 3 345.439 2.535 10 10 EFCEHN CC(C)[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](O)CO ZINC000817417842 1288594141 /nfs/dbraw/zinc/59/41/41/1288594141.db2.gz SRITZUMTGDGTIP-GOSISDBHSA-N 0 3 345.439 2.535 10 10 EFCEHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635355 1289732073 /nfs/dbraw/zinc/73/20/73/1289732073.db2.gz HKLBZGPCZKMHJN-GXFFZTMASA-N 0 3 344.249 2.756 10 10 EFCEHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635355 1289732078 /nfs/dbraw/zinc/73/20/78/1289732078.db2.gz HKLBZGPCZKMHJN-GXFFZTMASA-N 0 3 344.249 2.756 10 10 EFCEHN COc1cccc(O)c1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637212 1289734307 /nfs/dbraw/zinc/73/43/07/1289734307.db2.gz WSJPWRWUZAZYSJ-QFBILLFUSA-N 0 3 331.387 2.701 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)c2c1 ZINC000795633707 1290706380 /nfs/dbraw/zinc/70/63/80/1290706380.db2.gz UUNDMLVKLQLJGN-FQEVSTJZSA-N 0 3 343.423 2.935 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@]4(CCCOC4)C3)c2c1 ZINC000795633707 1290706388 /nfs/dbraw/zinc/70/63/88/1290706388.db2.gz UUNDMLVKLQLJGN-FQEVSTJZSA-N 0 3 343.423 2.935 10 10 EFCEHN Cc1cc([C@@H](N)CC(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825973520 1291253753 /nfs/dbraw/zinc/25/37/53/1291253753.db2.gz JSHPNVXVHUKTFT-INIZCTEOSA-N 0 3 346.862 2.816 10 10 EFCEHN CC(C)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000886507272 1294998962 /nfs/dbraw/zinc/99/89/62/1294998962.db2.gz CVBMOHYXMWPRON-IBGZPJMESA-N 0 3 346.450 2.883 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1C ZINC001274141510 1295501779 /nfs/dbraw/zinc/50/17/79/1295501779.db2.gz IMBYYACZCVMODF-JSDWAPGTSA-N 0 3 346.471 2.581 10 10 EFCEHN COc1c(C)[nH]cc(CN(C)Cc2ccc(N(C)C)c(C)c2)c1=O ZINC000931328526 1297329074 /nfs/dbraw/zinc/32/90/74/1297329074.db2.gz RXJGNFNIJHNFBA-UHFFFAOYSA-N 0 3 329.444 2.698 10 10 EFCEHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000852413191 1299695441 /nfs/dbraw/zinc/69/54/41/1299695441.db2.gz PZVKGTDFVVLBRP-QWHCGFSZSA-N 0 3 335.448 2.634 10 10 EFCEHN CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCN(C)C1 ZINC000855360747 1300928689 /nfs/dbraw/zinc/92/86/89/1300928689.db2.gz IQZIISNGRKXEAW-INIZCTEOSA-N 0 3 326.444 2.655 10 10 EFCEHN CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(C)cc1[O-] ZINC000794819220 1303182407 /nfs/dbraw/zinc/18/24/07/1303182407.db2.gz YLYSFAJGUCTEQU-MRXNPFEDSA-N 0 3 325.474 2.956 10 10 EFCEHN COc1ccc(N2CC[C@H](CNCc3cn(C4CC4)cn3)C2)cc1 ZINC000865609525 1303331390 /nfs/dbraw/zinc/33/13/90/1303331390.db2.gz WSMHTXPZNLZEAL-OAHLLOKOSA-N 0 3 326.444 2.843 10 10 EFCEHN C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(F)ccc1[O-] ZINC000866576644 1303694832 /nfs/dbraw/zinc/69/48/32/1303694832.db2.gz KZFZMEZLNKYODE-CYBMUJFWSA-N 0 3 343.402 2.907 10 10 EFCEHN C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1[O-] ZINC000866575629 1303694944 /nfs/dbraw/zinc/69/49/44/1303694944.db2.gz UVZNLTNNSPPNMK-AWEZNQCLSA-N 0 3 325.412 2.768 10 10 EFCEHN C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000903174771 1312430219 /nfs/dbraw/zinc/43/02/19/1312430219.db2.gz JHAMQSOIDTUNJE-AWEZNQCLSA-N 0 3 348.468 2.634 10 10 EFCEHN C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001251586223 1315356185 /nfs/dbraw/zinc/35/61/85/1315356185.db2.gz KSPIUQLWTNYHBS-CQSZACIVSA-N 0 3 345.418 2.851 10 10 EFCEHN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001251586223 1315356188 /nfs/dbraw/zinc/35/61/88/1315356188.db2.gz KSPIUQLWTNYHBS-CQSZACIVSA-N 0 3 345.418 2.851 10 10 EFCEHN COc1cc(Br)cc(CN2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000827151803 1315602124 /nfs/dbraw/zinc/60/21/24/1315602124.db2.gz KBXVCDURYGDOSD-UWVGGRQHSA-N 0 3 344.249 2.612 10 10 EFCEHN Cc1cc(Br)cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1[O-] ZINC000827151486 1315602195 /nfs/dbraw/zinc/60/21/95/1315602195.db2.gz CHVDRXYOAAZILO-QWRGUYRKSA-N 0 3 328.250 2.912 10 10 EFCEHN CN(c1ccc(CNC(=O)C(N)C(F)(F)F)cc1)C1CCCCC1 ZINC000827821423 1316020048 /nfs/dbraw/zinc/02/00/48/1316020048.db2.gz ZEPZJPNWODHESR-HNNXBMFYSA-N 0 3 343.393 2.961 10 10 EFCEHN COc1ccc(O)c(CN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000827941036 1316035816 /nfs/dbraw/zinc/03/58/16/1316035816.db2.gz BFTCPHMVGBHSSS-GOSISDBHSA-N 0 3 328.412 2.789 10 10 EFCEHN CN1CCN(c2ccc(CN3CC[C@@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514413 1316416391 /nfs/dbraw/zinc/41/63/91/1316416391.db2.gz AQMCREHWWVMQGM-QGZVFWFLSA-N 0 3 339.405 2.809 10 10 EFCEHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000382721439 1316556486 /nfs/dbraw/zinc/55/64/86/1316556486.db2.gz OQTMELMYPJRFTL-JSGCOSHPSA-N 0 3 336.432 2.975 10 10 EFCEHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000382731309 1316556767 /nfs/dbraw/zinc/55/67/67/1316556767.db2.gz GZASXVCALHEBJN-CQSZACIVSA-N 0 3 336.432 2.977 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCCO)c1[O-] ZINC001322074505 1329426613 /nfs/dbraw/zinc/42/66/13/1329426613.db2.gz ZJDDPNXWBIBKKB-NSHDSACASA-N 0 3 332.238 2.513 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H](C)C(F)(F)F)CC2)cc1C ZINC001323516065 1329548585 /nfs/dbraw/zinc/54/85/85/1329548585.db2.gz HPPAUZPGUHQWPC-GFCCVEGCSA-N 0 3 344.377 2.940 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN2C)c1[O-] ZINC000848526544 1334775351 /nfs/dbraw/zinc/77/53/51/1334775351.db2.gz AWGRHNOFLARXKM-CMPLNLGQSA-N 0 3 343.265 2.908 10 10 EFCEHN Cc1cc(C(=O)CON=C(N)[C@@H]2C[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517366 1334769310 /nfs/dbraw/zinc/76/93/10/1334769310.db2.gz DJPSIOUZCFIAIB-QMTHXVAHSA-N 0 3 344.390 2.965 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c1[O-] ZINC000848523972 1334771994 /nfs/dbraw/zinc/77/19/94/1334771994.db2.gz PAHZNVXVAJARRR-JQWIXIFHSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000848524339 1334773102 /nfs/dbraw/zinc/77/31/02/1334773102.db2.gz HWYKGUZPHUNJKL-ZJUUUORDSA-N 0 3 331.254 2.764 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000848528438 1334776078 /nfs/dbraw/zinc/77/60/78/1334776078.db2.gz MCIWJAOJNSFHFN-GXSJLCMTSA-N 0 3 330.222 2.993 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000848530587 1334777350 /nfs/dbraw/zinc/77/73/50/1334777350.db2.gz CCJYUOHNYOQKOD-BXKDBHETSA-N 0 3 332.238 2.831 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CO)c1[O-] ZINC000848537000 1334782859 /nfs/dbraw/zinc/78/28/59/1334782859.db2.gz ZGJDSTUDFNNTIH-VIFPVBQESA-N 0 3 332.238 2.832 10 10 EFCEHN COCC1([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848540652 1334785398 /nfs/dbraw/zinc/78/53/98/1334785398.db2.gz QFEJPQCFOFEJLV-VIFPVBQESA-N 0 3 330.222 2.993 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000848549130 1334788747 /nfs/dbraw/zinc/78/87/47/1334788747.db2.gz KWSJBJZNJUKGOL-ZJUUUORDSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)NCc2cncn2C)c1O ZINC000848550544 1334790643 /nfs/dbraw/zinc/79/06/43/1334790643.db2.gz QAHOHEPUOAGERI-SECBINFHSA-N 0 3 340.221 2.748 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CC2)c1[O-] ZINC000848553239 1334791422 /nfs/dbraw/zinc/79/14/22/1334791422.db2.gz JBTYVMPIXNZCHG-SNVBAGLBSA-N 0 3 344.249 2.977 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CCF)c1[O-] ZINC000848555349 1334792187 /nfs/dbraw/zinc/79/21/87/1334792187.db2.gz AKOQOTRDPBANGC-PSASIEDQSA-N 0 3 336.201 2.534 10 10 EFCEHN CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000848556883 1334793181 /nfs/dbraw/zinc/79/31/81/1334793181.db2.gz AMNUKIOAGZKWEE-QMTHXVAHSA-N 0 3 332.238 2.511 10 10 EFCEHN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000848556880 1334793717 /nfs/dbraw/zinc/79/37/17/1334793717.db2.gz AMNUKIOAGZKWEE-IINYFYTJSA-N 0 3 332.238 2.511 10 10 EFCEHN COC(=O)Cc1ccccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000848578468 1334804760 /nfs/dbraw/zinc/80/47/60/1334804760.db2.gz DNEQKXOYKSFQRF-UHFFFAOYSA-N 0 3 330.403 2.897 10 10 EFCEHN CCCN1CCC[C@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)C1 ZINC000935943835 1335463798 /nfs/dbraw/zinc/46/37/98/1335463798.db2.gz FZILNYHNDKIAMH-AWEZNQCLSA-N 0 3 325.449 2.616 10 10 EFCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(=O)Nc1ccccc1F ZINC001460641078 1396239897 /nfs/dbraw/zinc/23/98/97/1396239897.db2.gz XIUDANQFDDWCNQ-RYUDHWBXSA-N 0 3 345.374 2.919 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC2(C)C)N(C)C)cc1 ZINC001470116129 1397074388 /nfs/dbraw/zinc/07/43/88/1397074388.db2.gz QPHDLLGUPHMVQL-DLBZAZTESA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001470475238 1397091978 /nfs/dbraw/zinc/09/19/78/1397091978.db2.gz ZYUONKOVNPPBMF-QXCFHYIPSA-N 0 3 344.503 2.843 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)C2(C3CC3)CC2)cc1C ZINC001497607045 1401488621 /nfs/dbraw/zinc/48/86/21/1401488621.db2.gz CQLKZFDEKVQNHU-ARJAWSKDSA-N 0 3 328.456 2.956 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC001556500078 1415073387 /nfs/dbraw/zinc/07/33/87/1415073387.db2.gz VZRAXZJNTAPFOO-OAHLLOKOSA-N 0 3 329.404 2.596 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC001557290285 1415118158 /nfs/dbraw/zinc/11/81/58/1415118158.db2.gz YKKIXYWBZVWDFN-HUUCEWRRSA-N 0 3 329.404 2.596 10 10 EFCEHN C[C@@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccccc1[O-] ZINC001560074840 1415262187 /nfs/dbraw/zinc/26/21/87/1415262187.db2.gz IKZWXMOPLHZLBV-SNVBAGLBSA-N 0 3 328.397 2.686 10 10 EFCEHN CNC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC001560142649 1415264897 /nfs/dbraw/zinc/26/48/97/1415264897.db2.gz YXUGVKPFNFQELD-GOSISDBHSA-N 0 3 344.503 2.879 10 10 EFCEHN c1ncn(-c2ccc(CNCc3ccc(N4CCCC4)cc3)cn2)n1 ZINC001560266036 1415271201 /nfs/dbraw/zinc/27/12/01/1415271201.db2.gz NWIBGYDHOKCCCS-UHFFFAOYSA-N 0 3 334.427 2.552 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2CC3(CCC3)C2)N(C)C)cc1 ZINC001683728161 1416683210 /nfs/dbraw/zinc/68/32/10/1416683210.db2.gz JMAYLCUOHCVPAO-GOSISDBHSA-N 0 3 344.503 2.987 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)N(C)C)cc1 ZINC001685608904 1416769216 /nfs/dbraw/zinc/76/92/16/1416769216.db2.gz JWEZNBUUHYRJLF-KANFNMMFSA-N 0 3 344.503 2.843 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C)(O)CC2)c1[O-] ZINC000177188314 713711209 /nfs/dbraw/zinc/71/12/09/713711209.db2.gz QZZACIANEBPJRR-UHFFFAOYSA-N 0 3 329.396 2.679 10 10 EFCEHN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](N2CCCC2)C1 ZINC000896104695 723139383 /nfs/dbraw/zinc/13/93/83/723139383.db2.gz IESGGIOPTBCWEB-LBPRGKRZSA-N 0 3 332.425 2.623 10 10 EFCEHN c1cn2cc(CNCc3ccc(N4CCOCC4)cc3)sc2n1 ZINC000892668485 718412710 /nfs/dbraw/zinc/41/27/10/718412710.db2.gz MJNUPNAGCIVUBP-UHFFFAOYSA-N 0 3 328.441 2.522 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2OC)c1 ZINC000182350023 720118748 /nfs/dbraw/zinc/11/87/48/720118748.db2.gz KDHUBQUIWCDQSM-GFCCVEGCSA-N 0 3 330.384 2.699 10 10 EFCEHN CC[C@H](C)[C@H](O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250445 721740236 /nfs/dbraw/zinc/74/02/36/721740236.db2.gz JRSPLLQLVYFROB-MEDUHNTESA-N 0 3 336.407 2.601 10 10 EFCEHN COCCCCN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895025428 723057656 /nfs/dbraw/zinc/05/76/56/723057656.db2.gz PWZBXMLAFYLEFF-UHFFFAOYSA-N 0 3 336.407 2.962 10 10 EFCEHN CCC1([NH+]2CCOCC2)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895411492 724121829 /nfs/dbraw/zinc/12/18/29/724121829.db2.gz OXGOZNGXYUGOFP-UHFFFAOYSA-N 0 3 340.414 2.747 10 10 EFCEHN CN(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000913859476 725897343 /nfs/dbraw/zinc/89/73/43/725897343.db2.gz VPIJKIWHQLEMCQ-INIZCTEOSA-N 0 3 331.391 2.633 10 10 EFCEHN CN(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000913859477 725897365 /nfs/dbraw/zinc/89/73/65/725897365.db2.gz VPIJKIWHQLEMCQ-MRXNPFEDSA-N 0 3 331.391 2.633 10 10 EFCEHN C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914100243 726040903 /nfs/dbraw/zinc/04/09/03/726040903.db2.gz VTZUPYMXURQKBZ-CQSZACIVSA-N 0 3 337.439 2.843 10 10 EFCEHN C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000914100243 726040907 /nfs/dbraw/zinc/04/09/07/726040907.db2.gz VTZUPYMXURQKBZ-CQSZACIVSA-N 0 3 337.439 2.843 10 10 EFCEHN C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC000914299046 726221657 /nfs/dbraw/zinc/22/16/57/726221657.db2.gz LBWJMUQWQHFMQE-HNNXBMFYSA-N 0 3 345.418 2.503 10 10 EFCEHN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCN(C)C3)cc2)CC1 ZINC000731120327 726807452 /nfs/dbraw/zinc/80/74/52/726807452.db2.gz VJTNMMDJNBJTDH-SFHVURJKSA-N 0 3 344.503 2.816 10 10 EFCEHN CC(C)N1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000907434227 726941446 /nfs/dbraw/zinc/94/14/46/726941446.db2.gz YXPTWRYZHZVSQO-LBPRGKRZSA-N 0 3 334.441 2.915 10 10 EFCEHN CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000732448971 727081324 /nfs/dbraw/zinc/08/13/24/727081324.db2.gz MNZGBAVJIKPPCD-LJQANCHMSA-N 0 3 342.487 2.665 10 10 EFCEHN COc1cc(C)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000164509383 727955826 /nfs/dbraw/zinc/95/58/26/727955826.db2.gz ODMFJKBPGQSICI-CQSZACIVSA-N 0 3 336.432 2.808 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000919657456 729063834 /nfs/dbraw/zinc/06/38/34/729063834.db2.gz MVBBIYSJFAJTLD-KRWDZBQOSA-N 0 3 332.492 2.768 10 10 EFCEHN CN(C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180894118 729772054 /nfs/dbraw/zinc/77/20/54/729772054.db2.gz VPEPOLUWYVOGLR-PXUDHTSWSA-N 0 3 326.396 2.530 10 10 EFCEHN Cc1ccc(C(=O)NCc2ccc(Nc3ccncc3)cc2)c(O)c1O ZINC001647897046 1089905834 /nfs/dbraw/zinc/90/58/34/1089905834.db2.gz JEGNSZCQBYOGSI-UHFFFAOYSA-N 0 3 349.390 2.897 10 10 EFCEHN COCC(=O)NCc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC001482028257 1097111168 /nfs/dbraw/zinc/11/11/68/1097111168.db2.gz GXUXMSXFXBJDCI-UHFFFAOYSA-N 0 3 342.439 2.556 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001268533273 1097140233 /nfs/dbraw/zinc/14/02/33/1097140233.db2.gz KNNXDBCMKSMPOC-USGIZOSYSA-N 0 3 339.439 2.807 10 10 EFCEHN CC(C)[C@@H]1C[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635301594 1100653192 /nfs/dbraw/zinc/65/31/92/1100653192.db2.gz BLEQXSNMLBYBRQ-YTQUADARSA-N 0 3 346.519 2.947 10 10 EFCEHN CC(C)[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635992351 1100691934 /nfs/dbraw/zinc/69/19/34/1100691934.db2.gz FJIVYMJAIACXEE-KSZLIROESA-N 0 3 332.492 2.699 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2N)N(C)C)cc1 ZINC001637004841 1100750412 /nfs/dbraw/zinc/75/04/12/1100750412.db2.gz SOYWYVKJWULDOU-QGZVFWFLSA-N 0 3 344.434 2.507 10 10 EFCEHN CCN1C[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1 ZINC001652603896 1101520772 /nfs/dbraw/zinc/52/07/72/1101520772.db2.gz PTDMUQYWGQSGKX-QGZVFWFLSA-N 0 3 340.471 2.949 10 10 EFCEHN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848530717 1101527225 /nfs/dbraw/zinc/52/72/25/1101527225.db2.gz JRRBEKKWTHTZDJ-ONGXEEELSA-N 0 3 332.238 2.975 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001655347440 1101814624 /nfs/dbraw/zinc/81/46/24/1101814624.db2.gz XXHZRTSEVSAWSU-NEPJUHHUSA-N 0 3 329.356 2.978 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678820 1103494221 /nfs/dbraw/zinc/49/42/21/1103494221.db2.gz RBCQQAXFYYNYQW-OCCSQVGLSA-N 0 3 347.308 2.684 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678820 1103494228 /nfs/dbraw/zinc/49/42/28/1103494228.db2.gz RBCQQAXFYYNYQW-OCCSQVGLSA-N 0 3 347.308 2.684 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001668877924 1105391322 /nfs/dbraw/zinc/39/13/22/1105391322.db2.gz SBHGHFLXZZILCZ-NHZBNJEXSA-N 0 3 338.398 2.811 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cocc2C)cc1C ZINC001668979542 1105410287 /nfs/dbraw/zinc/41/02/87/1105410287.db2.gz VPVJGVGTWYMORD-SNAWJCMRSA-N 0 3 328.412 2.981 10 10 EFCEHN C[C@@H]1[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCN1C ZINC000925318333 1106047467 /nfs/dbraw/zinc/04/74/67/1106047467.db2.gz FKHOJGWTMNIARP-KDOFPFPSSA-N 0 3 330.476 2.519 10 10 EFCEHN CCO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000926957414 1108266241 /nfs/dbraw/zinc/26/62/41/1108266241.db2.gz BHSAHTGCRIDXNY-DGCLKSJQSA-N 0 3 345.281 2.772 10 10 EFCEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CCCCN1C ZINC001682101675 1108569876 /nfs/dbraw/zinc/56/98/76/1108569876.db2.gz ULRCUQBZBGWCDC-LPHOPBHVSA-N 0 3 346.519 2.776 10 10 EFCEHN CC(C)(C)N1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898582907 1109021995 /nfs/dbraw/zinc/02/19/95/1109021995.db2.gz RLMBWOLODJNPFQ-NSHDSACASA-N 0 3 334.441 2.915 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1[O-] ZINC000927145764 1109070460 /nfs/dbraw/zinc/07/04/60/1109070460.db2.gz RZQHUBSZGALSJL-QXEWZRGKSA-N 0 3 330.222 2.585 10 10 EFCEHN Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000158861497 239017745 /nfs/dbraw/zinc/01/77/45/239017745.db2.gz DYZMJUIJPJTRJB-KBXCAEBGSA-N 0 3 340.471 2.948 10 10 EFCEHN COc1cc(O)c(CN2CCC(c3ccnn3C)CC2)cc1OC ZINC000160241751 239047714 /nfs/dbraw/zinc/04/77/14/239047714.db2.gz CHLWTPQLGYGVJR-UHFFFAOYSA-N 0 3 331.416 2.523 10 10 EFCEHN COc1cc([O-])c(C[NH+]2CCC(c3ccnn3C)CC2)cc1OC ZINC000160241751 239047720 /nfs/dbraw/zinc/04/77/20/239047720.db2.gz CHLWTPQLGYGVJR-UHFFFAOYSA-N 0 3 331.416 2.523 10 10 EFCEHN Cc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c(C)n1-c1ccccn1 ZINC000247527506 240281394 /nfs/dbraw/zinc/28/13/94/240281394.db2.gz XESLRRNNUDETRG-WBVHZDCISA-N 0 3 338.455 2.798 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2)n(C)n1 ZINC000296582539 241090979 /nfs/dbraw/zinc/09/09/79/241090979.db2.gz WBTHSLOJXWGHJI-CVEARBPZSA-N 0 3 326.444 2.680 10 10 EFCEHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000362334232 242250792 /nfs/dbraw/zinc/25/07/92/242250792.db2.gz GLCYODBOEKYWLE-HXUWFJFHSA-N 0 3 340.471 2.902 10 10 EFCEHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000527772053 316456290 /nfs/dbraw/zinc/45/62/90/316456290.db2.gz IBVYGCJYJRMUGH-KRWDZBQOSA-N 0 3 342.439 2.774 10 10 EFCEHN CCOc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000095985024 473244276 /nfs/dbraw/zinc/24/42/76/473244276.db2.gz FFKAWIJXYVVERN-RDJZCZTQSA-N 0 3 325.474 2.839 10 10 EFCEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177411067 473372687 /nfs/dbraw/zinc/37/26/87/473372687.db2.gz ZHFCYTXGJXETNC-LJQANCHMSA-N 0 3 344.503 2.913 10 10 EFCEHN Cc1ccc(O)c([C@H](C)NCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185267863 473382157 /nfs/dbraw/zinc/38/21/57/473382157.db2.gz GBJRBCQMYKHVPM-AWEZNQCLSA-N 0 3 345.418 2.922 10 10 EFCEHN COC(=O)/C=C/c1ccc(N2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916323 472265366 /nfs/dbraw/zinc/26/53/66/472265366.db2.gz WLEGVDDFRVVARS-SOFGYWHQSA-N 0 3 347.415 2.702 10 10 EFCEHN Cc1cc(O)c(CN2CCCN(C(=O)c3ccccn3)CC2)cc1C ZINC000057103837 472382606 /nfs/dbraw/zinc/38/26/06/472382606.db2.gz HIAGEIRMQVHUAR-UHFFFAOYSA-N 0 3 339.439 2.752 10 10 EFCEHN Cc1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)ncn1 ZINC000091676389 472791501 /nfs/dbraw/zinc/79/15/01/472791501.db2.gz ASAHTNHGTQJNOU-UHFFFAOYSA-N 0 3 337.471 2.929 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092813955 472992373 /nfs/dbraw/zinc/99/23/73/472992373.db2.gz JWRIGFOVOKYPBT-AWEZNQCLSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092813955 472992378 /nfs/dbraw/zinc/99/23/78/472992378.db2.gz JWRIGFOVOKYPBT-AWEZNQCLSA-N 0 3 331.416 2.937 10 10 EFCEHN COc1cccc(CN2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000093010431 473025281 /nfs/dbraw/zinc/02/52/81/473025281.db2.gz GDJISLRNFQQZGZ-UHFFFAOYSA-N 0 3 344.411 2.697 10 10 EFCEHN CCOc1ccc(O)c(CN2CCCN(Cc3cscn3)CC2)c1 ZINC000093016352 473028355 /nfs/dbraw/zinc/02/83/55/473028355.db2.gz GYHBZQLIRVZGMO-UHFFFAOYSA-N 0 3 347.484 2.955 10 10 EFCEHN CCCOc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c([O-])c1 ZINC000093150732 473055301 /nfs/dbraw/zinc/05/53/01/473055301.db2.gz ZKBBILPBPNCZRF-UHFFFAOYSA-N 0 3 342.443 2.683 10 10 EFCEHN CCCOc1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)c([O-])c1 ZINC000093150732 473055305 /nfs/dbraw/zinc/05/53/05/473055305.db2.gz ZKBBILPBPNCZRF-UHFFFAOYSA-N 0 3 342.443 2.683 10 10 EFCEHN Cc1ccc(N2CCCN(Cc3ccc(N(C)C)cc3)CC2)nn1 ZINC000093151155 473055543 /nfs/dbraw/zinc/05/55/43/473055543.db2.gz NIJDZFVGNPPFQW-UHFFFAOYSA-N 0 3 325.460 2.563 10 10 EFCEHN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000122807098 473060502 /nfs/dbraw/zinc/06/05/02/473060502.db2.gz URAQIMSVJMTWNW-CQSZACIVSA-N 0 3 329.400 2.808 10 10 EFCEHN CCc1nccn1[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000122939773 473076561 /nfs/dbraw/zinc/07/65/61/473076561.db2.gz ITWRZAXDIHJMTA-CQSZACIVSA-N 0 3 329.400 2.717 10 10 EFCEHN C[C@H]1C[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000093644118 473128894 /nfs/dbraw/zinc/12/88/94/473128894.db2.gz AWPAHHQMUUPKNL-GWCFXTLKSA-N 0 3 327.812 2.868 10 10 EFCEHN C[C@H]1C[C@@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000093644118 473128897 /nfs/dbraw/zinc/12/88/97/473128897.db2.gz AWPAHHQMUUPKNL-GWCFXTLKSA-N 0 3 327.812 2.868 10 10 EFCEHN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000185408473 473418936 /nfs/dbraw/zinc/41/89/36/473418936.db2.gz QXFSYBLWEMPGJJ-SUMWQHHRSA-N 0 3 330.403 2.881 10 10 EFCEHN CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)c1[O-] ZINC000185671126 473485739 /nfs/dbraw/zinc/48/57/39/473485739.db2.gz RWOCLIGVWMFXQH-SJORKVTESA-N 0 3 335.444 2.855 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050890 473579681 /nfs/dbraw/zinc/57/96/81/473579681.db2.gz PBVWBTCKNQXWRT-KBPBESRZSA-N 0 3 328.416 2.510 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)c([O-])c1 ZINC000186194078 473613091 /nfs/dbraw/zinc/61/30/91/473613091.db2.gz NYJBKVOHPLOXTO-UHOSZYNNSA-N 0 3 340.467 2.987 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293391 473640651 /nfs/dbraw/zinc/64/06/51/473640651.db2.gz FWKDEFFAZYCYEM-QWHCGFSZSA-N 0 3 330.432 2.781 10 10 EFCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](c1cccs1)N1CCOCC1 ZINC000179572348 473695873 /nfs/dbraw/zinc/69/58/73/473695873.db2.gz WZWRIMGHFXWSPZ-INIZCTEOSA-N 0 3 332.469 2.959 10 10 EFCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](c1cccs1)N1CCOCC1 ZINC000179572348 473695876 /nfs/dbraw/zinc/69/58/76/473695876.db2.gz WZWRIMGHFXWSPZ-INIZCTEOSA-N 0 3 332.469 2.959 10 10 EFCEHN COc1cccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)c1O ZINC000179857075 473744390 /nfs/dbraw/zinc/74/43/90/473744390.db2.gz ACUGCWWEMZSTPK-UHFFFAOYSA-N 0 3 345.399 2.548 10 10 EFCEHN COc1cccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c1[O-] ZINC000179857075 473744395 /nfs/dbraw/zinc/74/43/95/473744395.db2.gz ACUGCWWEMZSTPK-UHFFFAOYSA-N 0 3 345.399 2.548 10 10 EFCEHN COc1ccc(O)c(CN2CCC(NC(=O)c3ccoc3C)CC2)c1 ZINC000180027207 473779799 /nfs/dbraw/zinc/77/97/99/473779799.db2.gz HJOOLPNYSZTMDU-UHFFFAOYSA-N 0 3 344.411 2.697 10 10 EFCEHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1[O-] ZINC000188547395 474125159 /nfs/dbraw/zinc/12/51/59/474125159.db2.gz CPEFQDNVKWSPQQ-CVEARBPZSA-N 0 3 342.443 2.845 10 10 EFCEHN CNC(=O)[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000183008673 474304698 /nfs/dbraw/zinc/30/46/98/474304698.db2.gz VLFGENWQAAEIOE-GOSISDBHSA-N 0 3 340.423 2.682 10 10 EFCEHN COc1cc(O)c(CN2CCC(Nc3nccs3)CC2)cc1OC ZINC000189950522 474515889 /nfs/dbraw/zinc/51/58/89/474515889.db2.gz VRDXISZLSDUMEG-UHFFFAOYSA-N 0 3 349.456 2.942 10 10 EFCEHN COc1cc(Cl)cc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000184689702 474586563 /nfs/dbraw/zinc/58/65/63/474586563.db2.gz BLUHVNNCSPAZOY-UHFFFAOYSA-N 0 3 348.834 2.557 10 10 EFCEHN CCOc1cccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1[O-] ZINC000277658506 474592599 /nfs/dbraw/zinc/59/25/99/474592599.db2.gz GNBCWRJXUSIBGS-INIZCTEOSA-N 0 3 344.459 2.591 10 10 EFCEHN CCOc1cccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1[O-] ZINC000277658507 474593039 /nfs/dbraw/zinc/59/30/39/474593039.db2.gz GNBCWRJXUSIBGS-MRXNPFEDSA-N 0 3 344.459 2.591 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)n(C)n1 ZINC000278172505 474602122 /nfs/dbraw/zinc/60/21/22/474602122.db2.gz BBSQMZFBQSNWQS-HIFRSBDPSA-N 0 3 332.423 2.893 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000184805723 474611615 /nfs/dbraw/zinc/61/16/15/474611615.db2.gz JZZMHICWHLQXMD-UHFFFAOYSA-N 0 3 327.428 2.898 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000184805723 474611620 /nfs/dbraw/zinc/61/16/20/474611620.db2.gz JZZMHICWHLQXMD-UHFFFAOYSA-N 0 3 327.428 2.898 10 10 EFCEHN CCOc1ccc(O)c(CN2CCCN(c3ccccn3)CC2)c1 ZINC000184805723 474611625 /nfs/dbraw/zinc/61/16/25/474611625.db2.gz JZZMHICWHLQXMD-UHFFFAOYSA-N 0 3 327.428 2.898 10 10 EFCEHN c1cc(CNCc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 ZINC000279176423 474962473 /nfs/dbraw/zinc/96/24/73/474962473.db2.gz RHFVRNIFDUYFSP-UHFFFAOYSA-N 0 3 348.450 2.999 10 10 EFCEHN CCCN(CCC)c1ccc(CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000279742868 474988875 /nfs/dbraw/zinc/98/88/75/474988875.db2.gz XNGGYXUBHLWTPJ-UHFFFAOYSA-N 0 3 338.517 2.980 10 10 EFCEHN COC[C@@](C)(CCO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280205867 475014429 /nfs/dbraw/zinc/01/44/29/475014429.db2.gz HZJKMAGSMVTFOT-OAHLLOKOSA-N 0 3 334.382 2.649 10 10 EFCEHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295050963 475100644 /nfs/dbraw/zinc/10/06/44/475100644.db2.gz FUTOYYXADGFJQK-CTNGQTDRSA-N 0 3 338.451 2.964 10 10 EFCEHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295050963 475100652 /nfs/dbraw/zinc/10/06/52/475100652.db2.gz FUTOYYXADGFJQK-CTNGQTDRSA-N 0 3 338.451 2.964 10 10 EFCEHN COc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000369713095 476490663 /nfs/dbraw/zinc/49/06/63/476490663.db2.gz STFXOLISRZRFCA-ZBFHGGJFSA-N 0 3 332.444 2.672 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375285666 476757539 /nfs/dbraw/zinc/75/75/39/476757539.db2.gz DSPHGXKJGLEOJT-LJQANCHMSA-N 0 3 325.408 2.928 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375285666 476757543 /nfs/dbraw/zinc/75/75/43/476757543.db2.gz DSPHGXKJGLEOJT-LJQANCHMSA-N 0 3 325.408 2.928 10 10 EFCEHN COc1cccc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000368051860 477782477 /nfs/dbraw/zinc/78/24/77/477782477.db2.gz QPNDOEGBODOBCW-OAHLLOKOSA-N 0 3 332.400 2.797 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000368059372 477783256 /nfs/dbraw/zinc/78/32/56/477783256.db2.gz KEBOUOLLEYNNLH-HNNXBMFYSA-N 0 3 328.412 2.869 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000368059372 477783257 /nfs/dbraw/zinc/78/32/57/477783257.db2.gz KEBOUOLLEYNNLH-HNNXBMFYSA-N 0 3 328.412 2.869 10 10 EFCEHN CCOc1ccc(O)c(CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527741860 478499984 /nfs/dbraw/zinc/49/99/84/478499984.db2.gz IRDJQRRGCHZIFT-CQSZACIVSA-N 0 3 329.322 2.881 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528286126 478706206 /nfs/dbraw/zinc/70/62/06/478706206.db2.gz FPUBTWNLOOHMIE-HIFRSBDPSA-N 0 3 347.459 2.778 10 10 EFCEHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000529642100 479234099 /nfs/dbraw/zinc/23/40/99/479234099.db2.gz DZSFQXUOLKJSGU-KRWDZBQOSA-N 0 3 342.439 2.774 10 10 EFCEHN CC(C)Oc1ccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc1 ZINC000662808465 481979696 /nfs/dbraw/zinc/97/96/96/481979696.db2.gz ANLOQEDLQPYNCM-ZDUSSCGKSA-N 0 3 328.416 2.550 10 10 EFCEHN COc1cccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000298095842 526012897 /nfs/dbraw/zinc/01/28/97/526012897.db2.gz NCDVIIIRGFAHQA-UHFFFAOYSA-N 0 3 336.432 2.795 10 10 EFCEHN CCN(C)c1ccc([C@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1 ZINC000245611187 535765730 /nfs/dbraw/zinc/76/57/30/535765730.db2.gz VOUSNGGAHBKDIQ-YJBOKZPZSA-N 0 3 334.460 2.715 10 10 EFCEHN COC1CCN(c2ccc(CN3CCN(C4CC4)CC3)cc2)CC1 ZINC000295448982 536756437 /nfs/dbraw/zinc/75/64/37/536756437.db2.gz GZAUIZCGYAOVNM-UHFFFAOYSA-N 0 3 329.488 2.582 10 10 EFCEHN CN1CCC(CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000753982745 575370383 /nfs/dbraw/zinc/37/03/83/575370383.db2.gz LDPKUPFQEMJCOX-UHFFFAOYSA-N 0 3 347.528 2.588 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000753992938 575372431 /nfs/dbraw/zinc/37/24/31/575372431.db2.gz MSUQYOHTCFIJJE-ZDUSSCGKSA-N 0 3 329.396 2.800 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000753992938 575372434 /nfs/dbraw/zinc/37/24/34/575372434.db2.gz MSUQYOHTCFIJJE-ZDUSSCGKSA-N 0 3 329.396 2.800 10 10 EFCEHN C[C@@H](N[C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281838 577026828 /nfs/dbraw/zinc/02/68/28/577026828.db2.gz SVDLCIMFBABDAQ-CABCVRRESA-N 0 3 337.895 2.921 10 10 EFCEHN CC[S@](=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938668 577090099 /nfs/dbraw/zinc/09/00/99/577090099.db2.gz ABQDNMCKEOYENH-DMZKTXOQSA-N 0 3 344.908 2.596 10 10 EFCEHN CCOc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c([O-])c1 ZINC000768216226 577261321 /nfs/dbraw/zinc/26/13/21/577261321.db2.gz SENKEUZTQNEUDO-UHFFFAOYSA-N 0 3 332.444 2.625 10 10 EFCEHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768892823 577314706 /nfs/dbraw/zinc/31/47/06/577314706.db2.gz MJIMZLALDCEYOH-SFHVURJKSA-N 0 3 340.467 2.906 10 10 EFCEHN C/C=C(\C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000769123263 577336964 /nfs/dbraw/zinc/33/69/64/577336964.db2.gz YBVQIMQTCZYDRM-HQYXKAPLSA-N 0 3 327.472 2.801 10 10 EFCEHN CCC[C@H]1CN(Cc2cc(OCC)ccc2O)CCN1CCOC ZINC000770282842 577409854 /nfs/dbraw/zinc/40/98/54/577409854.db2.gz HQSIUFLEPGTNRQ-KRWDZBQOSA-N 0 3 336.476 2.724 10 10 EFCEHN COc1cc(Br)cc(C[NH2+]CC2CCC(O)CC2)c1[O-] ZINC000850394776 1250462845 /nfs/dbraw/zinc/46/28/45/1250462845.db2.gz CMOXDZCEARFQHG-UHFFFAOYSA-N 0 3 344.249 2.804 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3ccnn3CC3CC3)C2)cc1 ZINC000850346808 1250440304 /nfs/dbraw/zinc/44/03/04/1250440304.db2.gz KQMCLBHJRLMPJB-INIZCTEOSA-N 0 3 326.444 2.670 10 10 EFCEHN COc1ccc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3OC)C2)cc1 ZINC000850345681 1250442099 /nfs/dbraw/zinc/44/20/99/1250442099.db2.gz HTXBREMMQTYGMF-AWEZNQCLSA-N 0 3 328.412 2.778 10 10 EFCEHN C[C@H]1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367647 1250451201 /nfs/dbraw/zinc/45/12/01/1250451201.db2.gz BFOHOKLCZRAKKP-DOTOQJQBSA-N 0 3 336.501 2.732 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000850495889 1250508404 /nfs/dbraw/zinc/50/84/04/1250508404.db2.gz KJNDIDOIDLRVFL-SNLDROCSSA-N 0 3 339.354 2.980 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1[O-] ZINC000850516924 1250517054 /nfs/dbraw/zinc/51/70/54/1250517054.db2.gz ZOPLCIYIAHPTQC-UWVGGRQHSA-N 0 3 344.249 2.975 10 10 EFCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([O-])c1 ZINC000850558422 1250536384 /nfs/dbraw/zinc/53/63/84/1250536384.db2.gz WIPUZSAXNIFCRJ-ATZDWAIDSA-N 0 3 330.472 2.995 10 10 EFCEHN CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000850558620 1250536465 /nfs/dbraw/zinc/53/64/65/1250536465.db2.gz SALZFMRWXLRKLU-ZYHUDNBSSA-N 0 3 327.421 2.637 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1[O-] ZINC000850571137 1250541458 /nfs/dbraw/zinc/54/14/58/1250541458.db2.gz NCEJXLWLEJHJTQ-PELMWDNLSA-N 0 3 330.222 2.991 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850760500 1250599572 /nfs/dbraw/zinc/59/95/72/1250599572.db2.gz SSQFBTOEVBTLDP-SFHVURJKSA-N 0 3 341.411 2.717 10 10 EFCEHN COc1ccc(N2CCCN(CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000851733203 1251233003 /nfs/dbraw/zinc/23/30/03/1251233003.db2.gz NBPQPTJBWSKXHF-MRXNPFEDSA-N 0 3 326.387 2.632 10 10 EFCEHN C[C@@H](NCc1c2c(nn1C)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000921590279 1257515813 /nfs/dbraw/zinc/51/58/13/1257515813.db2.gz DEUATHJIEUYGGI-OAHLLOKOSA-N 0 3 340.471 2.596 10 10 EFCEHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000923401873 1261612637 /nfs/dbraw/zinc/61/26/37/1261612637.db2.gz YWDNPSMDSBAYIA-CQSZACIVSA-N 0 3 335.423 2.738 10 10 EFCEHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000923401873 1261612643 /nfs/dbraw/zinc/61/26/43/1261612643.db2.gz YWDNPSMDSBAYIA-CQSZACIVSA-N 0 3 335.423 2.738 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCO[C@@H](C)C2)c1[O-] ZINC000738161919 1268383842 /nfs/dbraw/zinc/38/38/42/1268383842.db2.gz NVFZOVZMQAMBMQ-ZDUSSCGKSA-N 0 3 329.396 2.943 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCCO[C@@H](C)C2)c1[O-] ZINC000738161919 1268383850 /nfs/dbraw/zinc/38/38/50/1268383850.db2.gz NVFZOVZMQAMBMQ-ZDUSSCGKSA-N 0 3 329.396 2.943 10 10 EFCEHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1F ZINC000742392848 1270020202 /nfs/dbraw/zinc/02/02/02/1270020202.db2.gz TUQWQBOSYBBDFQ-DDUZABMNSA-N 0 3 333.451 2.771 10 10 EFCEHN Cn1ncc(Br)c1CNCCCSc1nccs1 ZINC000785474354 1271408563 /nfs/dbraw/zinc/40/85/63/1271408563.db2.gz RNWPYYMCHMDWSW-UHFFFAOYSA-N 0 3 347.307 2.911 10 10 EFCEHN CCN(Cc1ccc(N(C)C)cc1)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000787769201 1275901775 /nfs/dbraw/zinc/90/17/75/1275901775.db2.gz BOOWMLONDHBCHY-HUUCEWRRSA-N 0 3 326.387 2.629 10 10 EFCEHN CCN(Cc1ccc(N(C)C)cc1)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000787769199 1275902161 /nfs/dbraw/zinc/90/21/61/1275902161.db2.gz BOOWMLONDHBCHY-CABCVRRESA-N 0 3 326.387 2.629 10 10 EFCEHN C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1[O-] ZINC000817980986 1276420764 /nfs/dbraw/zinc/42/07/64/1276420764.db2.gz ORUSBTSSKQNTIH-PRHODGIISA-N 0 3 335.192 2.803 10 10 EFCEHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)C(F)(F)C3(F)F)[C@H](O)CO2 ZINC000844721866 1279200217 /nfs/dbraw/zinc/20/02/17/1279200217.db2.gz UIENKJNTEAUGOA-GFCCVEGCSA-N 0 3 347.308 2.684 10 10 EFCEHN Oc1cc2c(cc1CN1CCC3(CC1)C(F)(F)C3(F)F)[C@H](O)CO2 ZINC000844721866 1279200224 /nfs/dbraw/zinc/20/02/24/1279200224.db2.gz UIENKJNTEAUGOA-GFCCVEGCSA-N 0 3 347.308 2.684 10 10 EFCEHN Cn1c2ccc(CNCc3ccc4c(c3)CCO4)cc2sc1=O ZINC000792951994 1279301656 /nfs/dbraw/zinc/30/16/56/1279301656.db2.gz WKXROBVAHSUOET-UHFFFAOYSA-N 0 3 326.421 2.825 10 10 EFCEHN COc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c([O-])c1 ZINC000793387539 1279613986 /nfs/dbraw/zinc/61/39/86/1279613986.db2.gz GDADZOPLZVWMFR-UHFFFAOYSA-N 0 3 330.409 2.604 10 10 EFCEHN COCC(C)(C)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000822497366 1289015849 /nfs/dbraw/zinc/01/58/49/1289015849.db2.gz AGZQBSSUALLFIM-SREVYHEPSA-N 0 3 331.504 2.808 10 10 EFCEHN CCN1C[C@H](CN(C)Cc2ccc(N3CCCCC3)cc2)OC1=O ZINC000846766298 1280467710 /nfs/dbraw/zinc/46/77/10/1280467710.db2.gz QSVZTKHEOSUMCI-SFHVURJKSA-N 0 3 331.460 2.949 10 10 EFCEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001175428495 1287425442 /nfs/dbraw/zinc/42/54/42/1287425442.db2.gz WWLBTSJUJXAHRW-QWRGUYRKSA-N 0 3 340.383 2.652 10 10 EFCEHN CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000809662638 1282392644 /nfs/dbraw/zinc/39/26/44/1282392644.db2.gz BJXCJWVUIAVEQV-CYBMUJFWSA-N 0 3 328.416 2.543 10 10 EFCEHN CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000809662638 1282392653 /nfs/dbraw/zinc/39/26/53/1282392653.db2.gz BJXCJWVUIAVEQV-CYBMUJFWSA-N 0 3 328.416 2.543 10 10 EFCEHN COc1cccc(O)c1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809772631 1282432620 /nfs/dbraw/zinc/43/26/20/1282432620.db2.gz WVMRYJVBBUSUSJ-JSGCOSHPSA-N 0 3 336.432 2.888 10 10 EFCEHN CN1CCCc2cc(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)ccc21 ZINC000810266600 1283083287 /nfs/dbraw/zinc/08/32/87/1283083287.db2.gz QYKCWOWDXRQEDI-HXUWFJFHSA-N 0 3 347.478 2.898 10 10 EFCEHN CC(C)(C)N1CC[C@](F)(C(=O)NCCCSc2nccs2)C1 ZINC000810397825 1283190271 /nfs/dbraw/zinc/19/02/71/1283190271.db2.gz ANHGNCPBOTYWDG-OAHLLOKOSA-N 0 3 345.509 2.954 10 10 EFCEHN CC1(C)[C@H](O)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812778962 1285412496 /nfs/dbraw/zinc/41/24/96/1285412496.db2.gz RVZBTDXUPOKBAM-QGZVFWFLSA-N 0 3 333.432 2.930 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2COCCOC2)c1[O-] ZINC000813878693 1286166494 /nfs/dbraw/zinc/16/64/94/1286166494.db2.gz FFDZBRFGPBSZCN-SNVBAGLBSA-N 0 3 330.222 2.529 10 10 EFCEHN COc1cccc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636518 1289734426 /nfs/dbraw/zinc/73/44/26/1289734426.db2.gz RLDJQXVAWRRYFP-LPHOPBHVSA-N 0 3 331.387 2.701 10 10 EFCEHN CCOc1cccc(CN[C@@H](CC(=O)NC)c2ccccc2)c1O ZINC000795605550 1290652196 /nfs/dbraw/zinc/65/21/96/1290652196.db2.gz OBNUWHTXQRIJFZ-INIZCTEOSA-N 0 3 328.412 2.758 10 10 EFCEHN Oc1cc2c(cc1CN1CCCN(c3ccccc3F)CC1)OCO2 ZINC000795730246 1291341489 /nfs/dbraw/zinc/34/14/89/1291341489.db2.gz ZKODBWQOHKXNQY-UHFFFAOYSA-N 0 3 344.386 2.972 10 10 EFCEHN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@H]1CCCO1 ZINC000775703741 1294174456 /nfs/dbraw/zinc/17/44/56/1294174456.db2.gz WOOFYSFNQDGIJA-OAHLLOKOSA-N 0 3 341.835 2.898 10 10 EFCEHN COC(=O)CC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@H]1CCCO1 ZINC000775703741 1294174458 /nfs/dbraw/zinc/17/44/58/1294174458.db2.gz WOOFYSFNQDGIJA-OAHLLOKOSA-N 0 3 341.835 2.898 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c([O-])c1 ZINC000886340514 1294874592 /nfs/dbraw/zinc/87/45/92/1294874592.db2.gz HXXOYLVPKKJBGU-MCPREKNCSA-N 0 3 335.444 2.853 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1[O-] ZINC000776251965 1297262839 /nfs/dbraw/zinc/26/28/39/1297262839.db2.gz GTHCJNJUYXMHCS-UHFFFAOYSA-N 0 3 331.865 2.659 10 10 EFCEHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)C[C@@H]1CCCO1 ZINC000851841527 1299429543 /nfs/dbraw/zinc/42/95/43/1299429543.db2.gz VHZFAPANEPWUET-HOCLYGCPSA-N 0 3 327.371 2.797 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CC1(F)F)C[C@@H]1CCCO1 ZINC000851841527 1299429552 /nfs/dbraw/zinc/42/95/52/1299429552.db2.gz VHZFAPANEPWUET-HOCLYGCPSA-N 0 3 327.371 2.797 10 10 EFCEHN CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000851841181 1299429653 /nfs/dbraw/zinc/42/96/53/1299429653.db2.gz NSWCLMJKGXDDBT-IAGOWNOFSA-N 0 3 335.444 2.915 10 10 EFCEHN CC1(C)OC[C@@H](CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000851841181 1299429660 /nfs/dbraw/zinc/42/96/60/1299429660.db2.gz NSWCLMJKGXDDBT-IAGOWNOFSA-N 0 3 335.444 2.915 10 10 EFCEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988418 1299492797 /nfs/dbraw/zinc/49/27/97/1299492797.db2.gz YHFQDGJQIZQVCN-GOSISDBHSA-N 0 3 344.503 2.959 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000853456601 1300121460 /nfs/dbraw/zinc/12/14/60/1300121460.db2.gz MIAFHJVMZDNOBM-SFHVURJKSA-N 0 3 332.492 2.768 10 10 EFCEHN COc1cc(Br)cc(C[NH2+]C2(CCO)CCCC2)c1[O-] ZINC000796453504 1301706630 /nfs/dbraw/zinc/70/66/30/1301706630.db2.gz HZQBRKLKGDCNMK-UHFFFAOYSA-N 0 3 344.249 2.948 10 10 EFCEHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000794835120 1303219838 /nfs/dbraw/zinc/21/98/38/1303219838.db2.gz IIGSCPDQIXZDOK-IUDNXUCKSA-N 0 3 332.444 2.846 10 10 EFCEHN COc1ccc(CNCc2ccc(CN3CCNC3=O)cc2)cc1C ZINC000865816244 1303415007 /nfs/dbraw/zinc/41/50/07/1303415007.db2.gz CUQOTODDLUSTFV-UHFFFAOYSA-N 0 3 339.439 2.819 10 10 EFCEHN O=C(NCCc1ccc(O)c(O)c1)c1ccc(NC2=NCCC2)cc1 ZINC000901124672 1309535173 /nfs/dbraw/zinc/53/51/73/1309535173.db2.gz XILZUBPCRDQZKK-UHFFFAOYSA-N 0 3 339.395 2.675 10 10 EFCEHN CCCC[N@H+](CCn1nc2ccccn2c1=O)Cc1ccccc1[O-] ZINC000801596355 1310571481 /nfs/dbraw/zinc/57/14/81/1310571481.db2.gz WKVGLXCFDZXJGC-UHFFFAOYSA-N 0 3 340.427 2.504 10 10 EFCEHN CCCC[N@@H+](CCn1nc2ccccn2c1=O)Cc1ccccc1[O-] ZINC000801596355 1310571490 /nfs/dbraw/zinc/57/14/90/1310571490.db2.gz WKVGLXCFDZXJGC-UHFFFAOYSA-N 0 3 340.427 2.504 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3[nH]ccc3C)CC2)cc1C ZINC001277048285 1311530697 /nfs/dbraw/zinc/53/06/97/1311530697.db2.gz IHJLKBMPPZLMSL-UHFFFAOYSA-N 0 3 327.428 2.692 10 10 EFCEHN CCc1cc(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)no1 ZINC001277223952 1311827302 /nfs/dbraw/zinc/82/73/02/1311827302.db2.gz AWDDOYKHFULXAC-UHFFFAOYSA-N 0 3 343.427 2.606 10 10 EFCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903153696 1312414342 /nfs/dbraw/zinc/41/43/42/1312414342.db2.gz HYWQQOXFVNHTRW-WLYUNCDWSA-N 0 3 325.474 2.955 10 10 EFCEHN C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000903188991 1312444273 /nfs/dbraw/zinc/44/42/73/1312444273.db2.gz LYNMBHFWEYQXFT-CYBMUJFWSA-N 0 3 340.489 2.683 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1[O-] ZINC000903393660 1312628152 /nfs/dbraw/zinc/62/81/52/1312628152.db2.gz QZQFRNFJTQDEAW-PTRXPTGYSA-N 0 3 330.222 2.849 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1[O-] ZINC000903393658 1312628513 /nfs/dbraw/zinc/62/85/13/1312628513.db2.gz QZQFRNFJTQDEAW-AUTRQRHGSA-N 0 3 330.222 2.849 10 10 EFCEHN CC[C@H](F)CNC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711160 1314688177 /nfs/dbraw/zinc/68/81/77/1314688177.db2.gz DZQMTDWVSQAHHR-DZGCQCFKSA-N 0 3 349.410 2.695 10 10 EFCEHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001292811899 1322126471 /nfs/dbraw/zinc/12/64/71/1322126471.db2.gz PTJNEEOAHMIAPW-UHFFFAOYSA-N 0 3 342.439 2.539 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCCO)c1[O-] ZINC001322074504 1329426759 /nfs/dbraw/zinc/42/67/59/1329426759.db2.gz ZJDDPNXWBIBKKB-LLVKDONJSA-N 0 3 332.238 2.513 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H](C)C(F)(F)F)CC2)cc1C ZINC001323516066 1329548806 /nfs/dbraw/zinc/54/88/06/1329548806.db2.gz HPPAUZPGUHQWPC-LBPRGKRZSA-N 0 3 344.377 2.940 10 10 EFCEHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccns1 ZINC001329745478 1330732880 /nfs/dbraw/zinc/73/28/80/1330732880.db2.gz LVJGSXZYFXGJNB-CYBMUJFWSA-N 0 3 334.464 2.885 10 10 EFCEHN CCc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC001335858641 1331410671 /nfs/dbraw/zinc/41/06/71/1331410671.db2.gz DLYASRLKNZCXOK-MRXNPFEDSA-N 0 3 345.447 2.727 10 10 EFCEHN COC(=O)N(C)CCN(C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001347238983 1332726776 /nfs/dbraw/zinc/72/67/76/1332726776.db2.gz SWCXBMLUPDYMGT-UHFFFAOYSA-N 0 3 338.448 2.828 10 10 EFCEHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCCC2)O1 ZINC000848504074 1334761434 /nfs/dbraw/zinc/76/14/34/1334761434.db2.gz ATWWZXKXARJZEG-DYVFJYSZSA-N 0 3 333.428 2.742 10 10 EFCEHN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCCC2)O1 ZINC000848504075 1334761594 /nfs/dbraw/zinc/76/15/94/1334761594.db2.gz ATWWZXKXARJZEG-GUYCJALGSA-N 0 3 333.428 2.742 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000848526535 1334775371 /nfs/dbraw/zinc/77/53/71/1334775371.db2.gz ATKYHNDVHMHOJT-NXEZZACHSA-N 0 3 330.222 2.850 10 10 EFCEHN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848528299 1334775976 /nfs/dbraw/zinc/77/59/76/1334775976.db2.gz KSQXWQROTCTKAL-LKFCYVNXSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1[O-] ZINC000848530785 1334777545 /nfs/dbraw/zinc/77/75/45/1334777545.db2.gz KHRKDEMJFAMACO-JOYOIKCWSA-N 0 3 332.238 2.831 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CC2)c1[O-] ZINC000848531877 1334777549 /nfs/dbraw/zinc/77/75/49/1334777549.db2.gz VJEKWQZYQYIZQZ-SECBINFHSA-N 0 3 330.222 2.586 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1[O-] ZINC000848544788 1334786674 /nfs/dbraw/zinc/78/66/74/1334786674.db2.gz OLSRIKRVCGFROY-GUBZILKMSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000848546556 1334787683 /nfs/dbraw/zinc/78/76/83/1334787683.db2.gz BCBNUHZEAGSXFD-HJIKLVIJSA-N 0 3 344.249 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000848548210 1334787796 /nfs/dbraw/zinc/78/77/96/1334787796.db2.gz YEZVXJFAPQMGIG-NHCYSSNCSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCC2CC(O)C2)c1[O-] ZINC000848547779 1334788769 /nfs/dbraw/zinc/78/87/69/1334788769.db2.gz UHIHDEZBCIZQPB-BMQDGWLCSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000848550575 1334790534 /nfs/dbraw/zinc/79/05/34/1334790534.db2.gz QSGGCARLHMGFJK-SECBINFHSA-N 0 3 340.221 2.780 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1[O-] ZINC000848554755 1334792502 /nfs/dbraw/zinc/79/25/02/1334792502.db2.gz BKYBHLWUACQLED-QXEWZRGKSA-N 0 3 330.222 2.991 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000848551866 1334791318 /nfs/dbraw/zinc/79/13/18/1334791318.db2.gz DOSRSMBCKZCASP-OUJBWJOFSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1ccc(N2CC[C@H](CNCc3cc4n(n3)CCCC4)C2)cc1 ZINC000848556281 1334792633 /nfs/dbraw/zinc/79/26/33/1334792633.db2.gz SENUZAIOVLFDPQ-MRXNPFEDSA-N 0 3 340.471 2.844 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1[O-] ZINC000848554756 1334792821 /nfs/dbraw/zinc/79/28/21/1334792821.db2.gz BKYBHLWUACQLED-WCABBAIRSA-N 0 3 330.222 2.991 10 10 EFCEHN CCN(CC)c1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000848577918 1334805062 /nfs/dbraw/zinc/80/50/62/1334805062.db2.gz RSXQYPNARVICGP-HNNXBMFYSA-N 0 3 335.423 2.745 10 10 EFCEHN CN(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001440594730 1389764403 /nfs/dbraw/zinc/76/44/03/1389764403.db2.gz XCWKNGPAPLFXPC-INIZCTEOSA-N 0 3 339.399 2.882 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001470475236 1397092052 /nfs/dbraw/zinc/09/20/52/1397092052.db2.gz ZYUONKOVNPPBMF-BVBHFADKSA-N 0 3 344.503 2.843 10 10 EFCEHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCCN1C ZINC001471508797 1397179945 /nfs/dbraw/zinc/17/99/45/1397179945.db2.gz KLTQOCJKEUWJQU-LJQANCHMSA-N 0 3 344.503 2.913 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CCC3)CC2)N(C)C)cc1 ZINC001471548244 1397183210 /nfs/dbraw/zinc/18/32/10/1397183210.db2.gz SREKUKVMMNRDSW-GOSISDBHSA-N 0 3 344.503 2.987 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001473723163 1397325178 /nfs/dbraw/zinc/32/51/78/1397325178.db2.gz ZRXDDPDAWAUILA-NEPJUHHUSA-N 0 3 329.356 2.978 10 10 EFCEHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001479377621 1397708073 /nfs/dbraw/zinc/70/80/73/1397708073.db2.gz WNIFQUPWQQVZMR-QAPCUYQASA-N 0 3 330.476 2.521 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC001685608905 1416768805 /nfs/dbraw/zinc/76/88/05/1416768805.db2.gz JWEZNBUUHYRJLF-LULLPPNCSA-N 0 3 344.503 2.843 10 10 EFCEHN CN1CCCC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001685617981 1416768827 /nfs/dbraw/zinc/76/88/27/1416768827.db2.gz ZICUDLQNKYPYGN-OAHLLOKOSA-N 0 3 331.460 2.555 10 10 EFCEHN COc1ccc(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)o1 ZINC001699668418 1417444941 /nfs/dbraw/zinc/44/49/41/1417444941.db2.gz YHILCTOGGGYLGK-UHFFFAOYSA-N 0 3 344.411 2.657 10 10 EFCEHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000151645985 1418246366 /nfs/dbraw/zinc/24/63/66/1418246366.db2.gz IOUAHCWWDMEXLG-CQSZACIVSA-N 0 3 329.396 2.939 10 10 EFCEHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000151645985 1418246369 /nfs/dbraw/zinc/24/63/69/1418246369.db2.gz IOUAHCWWDMEXLG-CQSZACIVSA-N 0 3 329.396 2.939 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccc(C)nc3)CC2)cc1C ZINC001723490418 1424511595 /nfs/dbraw/zinc/51/15/95/1424511595.db2.gz GBOSDCKYLHCVRO-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)COC3CCCC3)CC2)cc1C ZINC001723500629 1424514221 /nfs/dbraw/zinc/51/42/21/1424514221.db2.gz UFPFTOAPBMTBKN-UHFFFAOYSA-N 0 3 346.471 2.701 10 10 EFCEHN COc1ccc(O)c(CN2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180530368 719945376 /nfs/dbraw/zinc/94/53/76/719945376.db2.gz UQTGPYMPSUSICV-AWEZNQCLSA-N 0 3 336.432 2.890 10 10 EFCEHN Cc1cc([O-])c(CN2CC[NH+](CC3CCOCC3)CC2)c(Cl)c1 ZINC000840914817 720912322 /nfs/dbraw/zinc/91/23/22/720912322.db2.gz GPVSMPOXKOKQRH-UHFFFAOYSA-N 0 3 338.879 2.898 10 10 EFCEHN COC(=O)c1c(CNC[C@H](O)CC(C)C)c2cc(F)ccc2n1C ZINC000894210656 721246822 /nfs/dbraw/zinc/24/68/22/721246822.db2.gz IIBYBCRAHWBOFU-CYBMUJFWSA-N 0 3 336.407 2.601 10 10 EFCEHN COC(=O)c1c(CNCCOCC2CC2)c2cc(F)ccc2n1C ZINC000894254628 721759268 /nfs/dbraw/zinc/75/92/68/721759268.db2.gz REPMFFBLGLYDDD-UHFFFAOYSA-N 0 3 334.391 2.620 10 10 EFCEHN COC(=O)c1c(CNCCOC2CCC2)c2cc(F)ccc2n1C ZINC000894316629 722079355 /nfs/dbraw/zinc/07/93/55/722079355.db2.gz XGGVBHLYEQWXPR-UHFFFAOYSA-N 0 3 334.391 2.763 10 10 EFCEHN COC(=O)c1c(CNC[C@@]2(C)CCCO2)c2cc(F)ccc2n1C ZINC000894347228 722154764 /nfs/dbraw/zinc/15/47/64/722154764.db2.gz HUIRBANHOSQJGR-GOSISDBHSA-N 0 3 334.391 2.763 10 10 EFCEHN CC[C@H]1[C@@H](CO)CCN1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881365 722937550 /nfs/dbraw/zinc/93/75/50/722937550.db2.gz OQGUHXHKTUEPIX-WBMJQRKESA-N 0 3 348.418 2.697 10 10 EFCEHN Cc1cc(N(C)C)ccc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895070330 723176072 /nfs/dbraw/zinc/17/60/72/723176072.db2.gz OKDVOXVGJRYLAX-UHFFFAOYSA-N 0 3 340.471 2.848 10 10 EFCEHN COc1ccc(N(C)CCN(C)Cc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000895137250 723428112 /nfs/dbraw/zinc/42/81/12/723428112.db2.gz LNIBDXJJEPREGB-UHFFFAOYSA-N 0 3 340.427 2.845 10 10 EFCEHN O=c1cc[nH]c2cc(CNCc3ccc(N4CCOCC4)cc3)ccc12 ZINC000895201967 723873212 /nfs/dbraw/zinc/87/32/12/723873212.db2.gz KGSCAWPOFNWOKN-UHFFFAOYSA-N 0 3 349.434 2.655 10 10 EFCEHN COC(=O)c1c(CN2CC[C@H](C(C)(C)O)C2)c2cc(F)ccc2n1C ZINC000895477336 724154147 /nfs/dbraw/zinc/15/41/47/724154147.db2.gz IHAZUIHWDRRMTA-LBPRGKRZSA-N 0 3 348.418 2.697 10 10 EFCEHN COc1cccc(O)c1CN1CCN(CCCOC(C)(C)C)CC1 ZINC000895646141 724241952 /nfs/dbraw/zinc/24/19/52/724241952.db2.gz VLKICOGXSMSJRC-UHFFFAOYSA-N 0 3 336.476 2.724 10 10 EFCEHN C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1c([O-])cccc1F ZINC000914098855 726039009 /nfs/dbraw/zinc/03/90/09/726039009.db2.gz MELSSFFITGWBMT-CQSZACIVSA-N 0 3 337.439 2.985 10 10 EFCEHN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1c([O-])cccc1F ZINC000914098855 726039011 /nfs/dbraw/zinc/03/90/11/726039011.db2.gz MELSSFFITGWBMT-CQSZACIVSA-N 0 3 337.439 2.985 10 10 EFCEHN CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000731120326 726807551 /nfs/dbraw/zinc/80/75/51/726807551.db2.gz VJTNMMDJNBJTDH-GOSISDBHSA-N 0 3 344.503 2.816 10 10 EFCEHN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)cc1 ZINC000912292897 727689118 /nfs/dbraw/zinc/68/91/18/727689118.db2.gz PYWDGDDXEFPBFS-INIZCTEOSA-N 0 3 345.487 2.655 10 10 EFCEHN COc1cc(C)cc(CN2CCCN(c3nc(C)ns3)CC2)c1O ZINC000164421833 727947014 /nfs/dbraw/zinc/94/70/14/727947014.db2.gz LEIZBIIKKGFVJG-UHFFFAOYSA-N 0 3 348.472 2.581 10 10 EFCEHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000245856241 729709710 /nfs/dbraw/zinc/70/97/10/729709710.db2.gz DPEZIRQMYKFVEG-FZMZJTMJSA-N 0 3 325.250 2.823 10 10 EFCEHN C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000245856241 729709714 /nfs/dbraw/zinc/70/97/14/729709714.db2.gz DPEZIRQMYKFVEG-FZMZJTMJSA-N 0 3 325.250 2.823 10 10 EFCEHN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c([O-])c1 ZINC001647081244 1088853713 /nfs/dbraw/zinc/85/37/13/1088853713.db2.gz JPOXCDUDQDFJGU-GOSISDBHSA-N 0 3 341.455 2.799 10 10 EFCEHN O=C(NCc1cc(O)ccc1O)c1ccc(NC2=NCCC2)cc1 ZINC001651225804 1093542735 /nfs/dbraw/zinc/54/27/35/1093542735.db2.gz YVLHRGXLRDLRDB-UHFFFAOYSA-N 0 3 325.368 2.632 10 10 EFCEHN CCc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001618641996 1099309321 /nfs/dbraw/zinc/30/93/21/1099309321.db2.gz CYEVMUWCANHGRS-LJQANCHMSA-N 0 3 340.471 2.743 10 10 EFCEHN CN(C)C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1 ZINC001624892715 1099744668 /nfs/dbraw/zinc/74/46/68/1099744668.db2.gz OCFJCCVIRYIDGA-UHFFFAOYSA-N 0 3 347.528 2.730 10 10 EFCEHN Cc1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c(O)c1O ZINC001628279101 1100084737 /nfs/dbraw/zinc/08/47/37/1100084737.db2.gz YOAFMCAJZHGZCJ-FQEVSTJZSA-N 0 3 340.423 2.801 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2N)N(C)C)cc1 ZINC001637004840 1100750420 /nfs/dbraw/zinc/75/04/20/1100750420.db2.gz SOYWYVKJWULDOU-KRWDZBQOSA-N 0 3 344.434 2.507 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N2CCCCCC2)N(C)C)cc1 ZINC001638918197 1100898736 /nfs/dbraw/zinc/89/87/36/1100898736.db2.gz RPYMWWHKZJNJCS-SFHVURJKSA-N 0 3 332.492 2.941 10 10 EFCEHN COC(=O)/C=C\c1ccc(N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001643074859 1101268600 /nfs/dbraw/zinc/26/86/00/1101268600.db2.gz KGERELIRUMSVJG-BQLWYNFJSA-N 0 3 347.415 2.557 10 10 EFCEHN CC(C)C[NH+]1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000707135496 1102192920 /nfs/dbraw/zinc/19/29/20/1102192920.db2.gz ORODYEFMPGWTHB-UHFFFAOYSA-N 0 3 327.266 2.928 10 10 EFCEHN CCCN(CC(=O)N1C[C@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001657433977 1102382197 /nfs/dbraw/zinc/38/21/97/1102382197.db2.gz CLVFARUMGQCCJJ-HNNXBMFYSA-N 0 3 334.460 2.630 10 10 EFCEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001659815222 1102568466 /nfs/dbraw/zinc/56/84/66/1102568466.db2.gz BZHKOCJVXABABF-GFCCVEGCSA-N 0 3 329.356 2.898 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cc(Cl)no2)cc1C ZINC001669151906 1105444998 /nfs/dbraw/zinc/44/49/98/1105444998.db2.gz YUPHEYRULURFBY-ONEGZZNKSA-N 0 3 349.818 2.721 10 10 EFCEHN CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000926957413 1108266479 /nfs/dbraw/zinc/26/64/79/1108266479.db2.gz BHSAHTGCRIDXNY-AAEUAGOBSA-N 0 3 345.281 2.772 10 10 EFCEHN CCO[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])CN(C)C ZINC000926958598 1108269196 /nfs/dbraw/zinc/26/91/96/1108269196.db2.gz GYVMDHIENLCPAQ-YPMHNXCESA-N 0 3 345.281 2.772 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1C ZINC001483724972 1108341200 /nfs/dbraw/zinc/34/12/00/1108341200.db2.gz MZEBPGRVPQIZRP-VQFNDLOPSA-N 0 3 328.456 2.788 10 10 EFCEHN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000174443544 239231608 /nfs/dbraw/zinc/23/16/08/239231608.db2.gz PPGFSECGHMJZKY-DZGCQCFKSA-N 0 3 336.455 2.516 10 10 EFCEHN COc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000182124203 239532160 /nfs/dbraw/zinc/53/21/60/239532160.db2.gz NBKCVDJXGPYTNP-UHFFFAOYSA-N 0 3 340.423 2.795 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813688 240065505 /nfs/dbraw/zinc/06/55/05/240065505.db2.gz WBOUHHPNBWUHLY-KGLIPLIRSA-N 0 3 328.416 2.510 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194926238 240188514 /nfs/dbraw/zinc/18/85/14/240188514.db2.gz NXHVFTYJBYOLDI-ZDUSSCGKSA-N 0 3 346.431 2.620 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194926238 240188521 /nfs/dbraw/zinc/18/85/21/240188521.db2.gz NXHVFTYJBYOLDI-ZDUSSCGKSA-N 0 3 346.431 2.620 10 10 EFCEHN CN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000245767606 240261375 /nfs/dbraw/zinc/26/13/75/240261375.db2.gz WPAOROAGLAPMMS-IQAMCKQTSA-N 0 3 338.407 2.673 10 10 EFCEHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1Cc1ccc(F)cc1 ZINC000296270273 241080810 /nfs/dbraw/zinc/08/08/10/241080810.db2.gz CCROCXAULCWWJY-IAGOWNOFSA-N 0 3 340.398 2.909 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2)n(C)n1 ZINC000296582546 241090319 /nfs/dbraw/zinc/09/03/19/241090319.db2.gz WBTHSLOJXWGHJI-HZPDHXFCSA-N 0 3 326.444 2.680 10 10 EFCEHN Cc1nsc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000301944450 241190679 /nfs/dbraw/zinc/19/06/79/241190679.db2.gz YZDDKNAZZZPEBE-UHFFFAOYSA-N 0 3 343.500 2.991 10 10 EFCEHN O=C1N=C(N2CCNCC2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000020413013 212127252 /nfs/dbraw/zinc/12/72/52/212127252.db2.gz GAJQRNQNXCITNC-KPKJPENVSA-N 0 3 342.251 2.869 10 10 EFCEHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cccc(F)c3)cc2)C1 ZINC000054178970 132190297 /nfs/dbraw/zinc/19/02/97/132190297.db2.gz IZMFPSYAYKLFDM-KRWDZBQOSA-N 0 3 341.430 2.817 10 10 EFCEHN CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000365138846 273576834 /nfs/dbraw/zinc/57/68/34/273576834.db2.gz PVLOVZOUNIKBOJ-CQSZACIVSA-N 0 3 329.400 2.545 10 10 EFCEHN C[C@@H](Cn1cncn1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279871022 274233519 /nfs/dbraw/zinc/23/35/19/274233519.db2.gz JOORONXLRCASRG-NSHDSACASA-N 0 3 327.354 2.541 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000185267899 473381990 /nfs/dbraw/zinc/38/19/90/473381990.db2.gz SJNHOIOIEXHWRA-AWEZNQCLSA-N 0 3 345.418 2.922 10 10 EFCEHN COc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 ZINC000089726378 472493716 /nfs/dbraw/zinc/49/37/16/472493716.db2.gz FVPSBGJJEZEFQJ-RDTXWAMCSA-N 0 3 340.423 2.680 10 10 EFCEHN COc1ccc(O)c(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 ZINC000089726378 472493723 /nfs/dbraw/zinc/49/37/23/472493723.db2.gz FVPSBGJJEZEFQJ-RDTXWAMCSA-N 0 3 340.423 2.680 10 10 EFCEHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1C ZINC000058168865 472510971 /nfs/dbraw/zinc/51/09/71/472510971.db2.gz GEZJPOTUUMYSFE-UHFFFAOYSA-N 0 3 340.427 2.650 10 10 EFCEHN CCOc1cccc(CN2CCC(Nc3cccnn3)CC2)c1O ZINC000120296808 472663620 /nfs/dbraw/zinc/66/36/20/472663620.db2.gz HPCGKJMABCJFNR-UHFFFAOYSA-N 0 3 328.416 2.657 10 10 EFCEHN c1cc(N2CCCCC2)ccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000120966817 472775925 /nfs/dbraw/zinc/77/59/25/472775925.db2.gz ZURBFAUXILUXCZ-HXUWFJFHSA-N 0 3 329.488 2.583 10 10 EFCEHN COc1ccc(N2CCC[N@H+](Cc3nc(C)ccc3[O-])CC2)cc1 ZINC000092380657 472904237 /nfs/dbraw/zinc/90/42/37/472904237.db2.gz BIPFPKXNNBNKOO-UHFFFAOYSA-N 0 3 327.428 2.817 10 10 EFCEHN COc1ccc(N2CCC[N@@H+](Cc3nc(C)ccc3[O-])CC2)cc1 ZINC000092380657 472904242 /nfs/dbraw/zinc/90/42/42/472904242.db2.gz BIPFPKXNNBNKOO-UHFFFAOYSA-N 0 3 327.428 2.817 10 10 EFCEHN CCOc1ccc([O-])c(C[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000121799236 472916786 /nfs/dbraw/zinc/91/67/86/472916786.db2.gz UUVQCYXTOHDGHP-UHFFFAOYSA-N 0 3 329.444 2.979 10 10 EFCEHN CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000065539187 472970943 /nfs/dbraw/zinc/97/09/43/472970943.db2.gz KTCWLBDWOXEJII-UHFFFAOYSA-N 0 3 328.460 2.834 10 10 EFCEHN Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000092813359 472991913 /nfs/dbraw/zinc/99/19/13/472991913.db2.gz QYEUHULBRUIYMC-AWEZNQCLSA-N 0 3 341.411 2.758 10 10 EFCEHN Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000092813359 472991919 /nfs/dbraw/zinc/99/19/19/472991919.db2.gz QYEUHULBRUIYMC-AWEZNQCLSA-N 0 3 341.411 2.758 10 10 EFCEHN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1 ZINC000108583993 473042853 /nfs/dbraw/zinc/04/28/53/473042853.db2.gz FLPBDKHCSOEZTK-LJQANCHMSA-N 0 3 344.503 2.768 10 10 EFCEHN C[C@@H]1C[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000093644115 473127177 /nfs/dbraw/zinc/12/71/77/473127177.db2.gz AWPAHHQMUUPKNL-ZWNOBZJWSA-N 0 3 327.812 2.868 10 10 EFCEHN C[C@@H]1C[C@H](N(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000093644115 473127181 /nfs/dbraw/zinc/12/71/81/473127181.db2.gz AWPAHHQMUUPKNL-ZWNOBZJWSA-N 0 3 327.812 2.868 10 10 EFCEHN Cc1cnn(CCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000123843085 473191643 /nfs/dbraw/zinc/19/16/43/473191643.db2.gz ZDNOVBGXBQEBEA-HNNXBMFYSA-N 0 3 332.423 2.518 10 10 EFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000186193763 473612972 /nfs/dbraw/zinc/61/29/72/473612972.db2.gz MHVASJVFODTJRV-UHOSZYNNSA-N 0 3 340.467 2.987 10 10 EFCEHN Cc1ccc(O)c(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000179504804 473691630 /nfs/dbraw/zinc/69/16/30/473691630.db2.gz UUROGDWZZGDOCP-HXUWFJFHSA-N 0 3 326.440 2.552 10 10 EFCEHN Cc1ccc(O)c(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000179504740 473691738 /nfs/dbraw/zinc/69/17/38/473691738.db2.gz UUROGDWZZGDOCP-FQEVSTJZSA-N 0 3 326.440 2.552 10 10 EFCEHN Cc1cc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)no1 ZINC000179896982 473751253 /nfs/dbraw/zinc/75/12/53/473751253.db2.gz WXQWHEJFLMIRQJ-UHFFFAOYSA-N 0 3 333.363 2.678 10 10 EFCEHN CCCn1cc(CN2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180112094 473801681 /nfs/dbraw/zinc/80/16/81/473801681.db2.gz CSABDZRAIUUDEL-UHFFFAOYSA-N 0 3 346.450 2.846 10 10 EFCEHN CCCn1cc(CN2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180112094 473801687 /nfs/dbraw/zinc/80/16/87/473801687.db2.gz CSABDZRAIUUDEL-UHFFFAOYSA-N 0 3 346.450 2.846 10 10 EFCEHN CCCN(CCC)c1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000274959873 474024147 /nfs/dbraw/zinc/02/41/47/474024147.db2.gz UJCWPFJLHNYAMG-UHFFFAOYSA-N 0 3 340.471 2.955 10 10 EFCEHN CN1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccccc1 ZINC000270254840 474047844 /nfs/dbraw/zinc/04/78/44/474047844.db2.gz BQNMYGCBOMJSPP-AEFFLSMTSA-N 0 3 325.412 2.637 10 10 EFCEHN CN1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccccc1 ZINC000270254843 474048162 /nfs/dbraw/zinc/04/81/62/474048162.db2.gz BQNMYGCBOMJSPP-FUHWJXTLSA-N 0 3 325.412 2.637 10 10 EFCEHN CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1[O-] ZINC000188547370 474125046 /nfs/dbraw/zinc/12/50/46/474125046.db2.gz CPEFQDNVKWSPQQ-HOTGVXAUSA-N 0 3 342.443 2.845 10 10 EFCEHN COC[C@@](C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183159317 474340272 /nfs/dbraw/zinc/34/02/72/474340272.db2.gz CNPKXJFKAIARAC-HXUWFJFHSA-N 0 3 345.439 2.848 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccccc2[O-])ncn1 ZINC000183596765 474396381 /nfs/dbraw/zinc/39/63/81/474396381.db2.gz SCLGBUYYILVNND-ZIAGYGMSSA-N 0 3 327.432 2.544 10 10 EFCEHN C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000183631921 474402378 /nfs/dbraw/zinc/40/23/78/474402378.db2.gz AXSHFHJWRGMSMM-SZMVWBNQSA-N 0 3 326.440 2.678 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283504585 474422436 /nfs/dbraw/zinc/42/24/36/474422436.db2.gz ZAWGEILAFDTFSH-PMUMKWKESA-N 0 3 335.444 2.619 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000277737129 474594384 /nfs/dbraw/zinc/59/43/84/474594384.db2.gz PHPMOOXIXIWEJZ-MRXNPFEDSA-N 0 3 344.459 2.591 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)c(C)cc3[O-])C2)n(C)n1 ZINC000277813573 474596875 /nfs/dbraw/zinc/59/68/75/474596875.db2.gz ZCQWHEFUGQXMLX-KRWDZBQOSA-N 0 3 328.460 2.810 10 10 EFCEHN Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(O)c1O ZINC000272707545 474623678 /nfs/dbraw/zinc/62/36/78/474623678.db2.gz CTTSYIIDJRZBHV-INIZCTEOSA-N 0 3 340.423 2.753 10 10 EFCEHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000280589582 475037354 /nfs/dbraw/zinc/03/73/54/475037354.db2.gz BENGOMHNIPKWME-MFKMUULPSA-N 0 3 327.808 2.876 10 10 EFCEHN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295172196 475109125 /nfs/dbraw/zinc/10/91/25/475109125.db2.gz UMQRKODYLRPFGT-PMACEKPBSA-N 0 3 329.488 2.582 10 10 EFCEHN c1cc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000362622665 476330960 /nfs/dbraw/zinc/33/09/60/476330960.db2.gz OMYXVNCPKFJQBZ-GOSISDBHSA-N 0 3 338.455 2.693 10 10 EFCEHN COc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000374266292 476465755 /nfs/dbraw/zinc/46/57/55/476465755.db2.gz VFASSMAORNOJCN-PBHICJAKSA-N 0 3 340.423 2.680 10 10 EFCEHN COc1cccc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1O ZINC000374266292 476465760 /nfs/dbraw/zinc/46/57/60/476465760.db2.gz VFASSMAORNOJCN-PBHICJAKSA-N 0 3 340.423 2.680 10 10 EFCEHN O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000370576425 476880021 /nfs/dbraw/zinc/88/00/21/476880021.db2.gz SDFVELAPNVSOQW-UHFFFAOYSA-N 0 3 333.819 2.768 10 10 EFCEHN COc1cc(O)c(CN2CCC(c3nccc(C)n3)CC2)cc1OC ZINC000371887245 477542738 /nfs/dbraw/zinc/54/27/38/477542738.db2.gz DXHABTLKJPBWSG-UHFFFAOYSA-N 0 3 343.427 2.887 10 10 EFCEHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000377046396 477616563 /nfs/dbraw/zinc/61/65/63/477616563.db2.gz LZSAUUSGBCQSLS-HNNXBMFYSA-N 0 3 340.423 2.834 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c([O-])c1 ZINC000527741567 478499782 /nfs/dbraw/zinc/49/97/82/478499782.db2.gz FIJQSOSXLAYZBF-AWEZNQCLSA-N 0 3 329.322 2.881 10 10 EFCEHN CCOc1ccc(O)c(CNC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527741858 478499968 /nfs/dbraw/zinc/49/99/68/478499968.db2.gz IRDJQRRGCHZIFT-AWEZNQCLSA-N 0 3 329.322 2.881 10 10 EFCEHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528286130 478708086 /nfs/dbraw/zinc/70/80/86/478708086.db2.gz FPUBTWNLOOHMIE-ZFWWWQNUSA-N 0 3 347.459 2.778 10 10 EFCEHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CCN1C ZINC000173993444 533890867 /nfs/dbraw/zinc/89/08/67/533890867.db2.gz VHZHRUGQUSBWFT-VQIMIIECSA-N 0 3 344.503 2.911 10 10 EFCEHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000174443530 533891159 /nfs/dbraw/zinc/89/11/59/533891159.db2.gz PPGFSECGHMJZKY-UKRRQHHQSA-N 0 3 336.455 2.516 10 10 EFCEHN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000174447585 534094001 /nfs/dbraw/zinc/09/40/01/534094001.db2.gz CQXNVTDWYSMAFR-YJBOKZPZSA-N 0 3 344.503 2.693 10 10 EFCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000175812140 527210494 /nfs/dbraw/zinc/21/04/94/527210494.db2.gz VOZPMBUXTXDMIQ-INIZCTEOSA-N 0 3 331.391 2.903 10 10 EFCEHN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000175812140 527210495 /nfs/dbraw/zinc/21/04/95/527210495.db2.gz VOZPMBUXTXDMIQ-INIZCTEOSA-N 0 3 331.391 2.903 10 10 EFCEHN CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246438581 534984975 /nfs/dbraw/zinc/98/49/75/534984975.db2.gz CZRLFRIHJLDDMN-IAGOWNOFSA-N 0 3 337.460 2.549 10 10 EFCEHN CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246438581 534984985 /nfs/dbraw/zinc/98/49/85/534984985.db2.gz CZRLFRIHJLDDMN-IAGOWNOFSA-N 0 3 337.460 2.549 10 10 EFCEHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412410 535765373 /nfs/dbraw/zinc/76/53/73/535765373.db2.gz JHXVDIJEPHKAQF-HNAYVOBHSA-N 0 3 345.487 2.573 10 10 EFCEHN COc1cc(C)cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000754724284 575477348 /nfs/dbraw/zinc/47/73/48/575477348.db2.gz UDWCILBHNXRBKQ-UHFFFAOYSA-N 0 3 340.423 2.973 10 10 EFCEHN CC(C)(C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000757866885 575854924 /nfs/dbraw/zinc/85/49/24/575854924.db2.gz ONLUQWZITHOJTJ-RBUKOAKNSA-N 0 3 332.488 2.752 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1[O-] ZINC000762485985 576306961 /nfs/dbraw/zinc/30/69/61/576306961.db2.gz LREAKGZUBDZVQK-SKDRFNHKSA-N 0 3 330.222 2.678 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c([O-])c1 ZINC000767738704 577231090 /nfs/dbraw/zinc/23/10/90/577231090.db2.gz FYEYVSDPJGWUML-MRXNPFEDSA-N 0 3 344.459 2.591 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1)[C@@H](O)CO2 ZINC000768465811 577276324 /nfs/dbraw/zinc/27/63/24/577276324.db2.gz LYHWDUNZCNUMLX-QAPCUYQASA-N 0 3 333.428 2.742 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1)[C@@H](O)CO2 ZINC000768465811 577276325 /nfs/dbraw/zinc/27/63/25/577276325.db2.gz LYHWDUNZCNUMLX-QAPCUYQASA-N 0 3 333.428 2.742 10 10 EFCEHN CS/C=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000769123122 577336996 /nfs/dbraw/zinc/33/69/96/577336996.db2.gz WPVIHPSWDWTQGT-JYRVWZFOSA-N 0 3 345.512 2.712 10 10 EFCEHN CCCN(CCC)c1ccc(CN2CCN(C[C@H](C)O)CC2)cc1 ZINC000769327929 577352486 /nfs/dbraw/zinc/35/24/86/577352486.db2.gz OHURQPGSAKODJB-SFHVURJKSA-N 0 3 333.520 2.811 10 10 EFCEHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000769403518 577359773 /nfs/dbraw/zinc/35/97/73/577359773.db2.gz DCEATCBQLKZNNK-INIZCTEOSA-N 0 3 332.444 2.625 10 10 EFCEHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000769403518 577359774 /nfs/dbraw/zinc/35/97/74/577359774.db2.gz DCEATCBQLKZNNK-INIZCTEOSA-N 0 3 332.444 2.625 10 10 EFCEHN CN(C)c1ccc(CNC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000769677417 577378136 /nfs/dbraw/zinc/37/81/36/577378136.db2.gz GVANVGPWPARERR-UHFFFAOYSA-N 0 3 337.467 2.817 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773853138 581469741 /nfs/dbraw/zinc/46/97/41/581469741.db2.gz YCKJZVBKNGBYDT-ROUUACIJSA-N 0 3 334.460 2.685 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3cccc4c3OCO4)C2)cc1 ZINC000850345781 1250442497 /nfs/dbraw/zinc/44/24/97/1250442497.db2.gz KHCAZWSZDPTNLC-HNNXBMFYSA-N 0 3 326.396 2.792 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000850387862 1250458955 /nfs/dbraw/zinc/45/89/55/1250458955.db2.gz BQPZFKGAIUERDB-QWHCGFSZSA-N 0 3 342.233 2.556 10 10 EFCEHN C[C@H](O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419867 1250478758 /nfs/dbraw/zinc/47/87/58/1250478758.db2.gz IEMLAEPAGWXBIR-YWZLYKJASA-N 0 3 344.430 2.874 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000850485898 1250503119 /nfs/dbraw/zinc/50/31/19/1250503119.db2.gz OUDQXPQUBKCNFD-DGCLKSJQSA-N 0 3 341.448 2.884 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]CCN2C[C@H]3CCCCN3C2=O)c2c1c(F)ccc2[O-] ZINC000850561652 1250537635 /nfs/dbraw/zinc/53/76/35/1250537635.db2.gz KOSYJFIWFOCSCH-UMVBOHGHSA-N 0 3 347.434 2.959 10 10 EFCEHN OC1CCN(c2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000850568502 1250540918 /nfs/dbraw/zinc/54/09/18/1250540918.db2.gz ZGUJYXAZLUENOS-SFHVURJKSA-N 0 3 326.444 2.538 10 10 EFCEHN CN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1c1ccccc1 ZINC000921677609 1260276284 /nfs/dbraw/zinc/27/62/84/1260276284.db2.gz FQUYFIQOPGTNPV-AEFFLSMTSA-N 0 3 343.402 2.776 10 10 EFCEHN CC[C@@H](F)CN[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963776 1262547386 /nfs/dbraw/zinc/54/73/86/1262547386.db2.gz SYAWGFYQMDZHGH-WCQYABFASA-N 0 3 337.399 2.647 10 10 EFCEHN CC[C@@H](F)CN[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963775 1262547653 /nfs/dbraw/zinc/54/76/53/1262547653.db2.gz SYAWGFYQMDZHGH-DGCLKSJQSA-N 0 3 337.399 2.647 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000824625079 1278227738 /nfs/dbraw/zinc/22/77/38/1278227738.db2.gz DYJWYBXEOXTEFR-LBPRGKRZSA-N 0 3 330.222 2.820 10 10 EFCEHN COc1cc(Br)cc(CNC2(CF)CCOCC2)c1O ZINC000824690814 1278248007 /nfs/dbraw/zinc/24/80/07/1278248007.db2.gz MNQZPFLEVNPMOU-UHFFFAOYSA-N 0 3 348.212 2.772 10 10 EFCEHN Cc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000733334671 1265174386 /nfs/dbraw/zinc/17/43/86/1265174386.db2.gz OZFHIKSDDQJCIN-QGZVFWFLSA-N 0 3 346.862 2.898 10 10 EFCEHN COc1cccc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825117597 1278417362 /nfs/dbraw/zinc/41/73/62/1278417362.db2.gz HXQAOXJTEYCHJN-LBPRGKRZSA-N 0 3 332.366 2.717 10 10 EFCEHN CNC(=O)[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)C ZINC000787323109 1275756651 /nfs/dbraw/zinc/75/66/51/1275756651.db2.gz NCSKHUXCUPQXAH-IBGZPJMESA-N 0 3 342.439 2.831 10 10 EFCEHN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969704 1276411938 /nfs/dbraw/zinc/41/19/38/1276411938.db2.gz YFOFFGCUZGKGNC-VYUIOLGVSA-N 0 3 331.229 2.942 10 10 EFCEHN CCCN(CCC)c1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233715 1276495982 /nfs/dbraw/zinc/49/59/82/1276495982.db2.gz NFAJIUQLTXHMLQ-KRWDZBQOSA-N 0 3 331.460 2.550 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000789600420 1276875326 /nfs/dbraw/zinc/87/53/26/1276875326.db2.gz UQJYQJMBIAPION-INIZCTEOSA-N 0 3 341.329 2.984 10 10 EFCEHN CCOc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000789866468 1277062411 /nfs/dbraw/zinc/06/24/11/1277062411.db2.gz PTEONLJVPWGVRO-SREVYHEPSA-N 0 3 336.432 2.961 10 10 EFCEHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)C(F)(F)C3(F)F)[C@@H](O)CO2 ZINC000844721867 1279200676 /nfs/dbraw/zinc/20/06/76/1279200676.db2.gz UIENKJNTEAUGOA-LBPRGKRZSA-N 0 3 347.308 2.684 10 10 EFCEHN Oc1cc2c(cc1CN1CCC3(CC1)C(F)(F)C3(F)F)[C@@H](O)CO2 ZINC000844721867 1279200682 /nfs/dbraw/zinc/20/06/82/1279200682.db2.gz UIENKJNTEAUGOA-LBPRGKRZSA-N 0 3 347.308 2.684 10 10 EFCEHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000846027184 1279989803 /nfs/dbraw/zinc/98/98/03/1279989803.db2.gz LOZGUXFCGXPWCC-UHFFFAOYSA-N 0 3 328.206 2.648 10 10 EFCEHN Fc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC000846116809 1280024476 /nfs/dbraw/zinc/02/44/76/1280024476.db2.gz KBEPVSVMYHWVJX-MRXNPFEDSA-N 0 3 326.362 2.893 10 10 EFCEHN CCOc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c([O-])c1 ZINC000846105999 1280036106 /nfs/dbraw/zinc/03/61/06/1280036106.db2.gz ADDVUDDNBFUVBD-INIZCTEOSA-N 0 3 328.412 2.657 10 10 EFCEHN CN(C)c1cc(F)c(CNC[C@H]2CC3(CO2)CCOCC3)cc1F ZINC000864053073 1302764274 /nfs/dbraw/zinc/76/42/74/1302764274.db2.gz GMXISXJHUKRXRF-CQSZACIVSA-N 0 3 340.414 2.706 10 10 EFCEHN Cc1cc([C@H](N)CC(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825973521 1291254063 /nfs/dbraw/zinc/25/40/63/1291254063.db2.gz JSHPNVXVHUKTFT-MRXNPFEDSA-N 0 3 346.862 2.816 10 10 EFCEHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nc3c(s2)CCC3)c1 ZINC000775368762 1292052563 /nfs/dbraw/zinc/05/25/63/1292052563.db2.gz FBHJOONNQMNMGN-JTQLQIEISA-N 0 3 347.440 2.635 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1C ZINC001274141514 1295502584 /nfs/dbraw/zinc/50/25/84/1295502584.db2.gz IMBYYACZCVMODF-NIAAJLDISA-N 0 3 346.471 2.581 10 10 EFCEHN O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1c([O-])cccc1F ZINC000928708549 1297125936 /nfs/dbraw/zinc/12/59/36/1297125936.db2.gz OPPCAHLHFGJGDL-UHFFFAOYSA-N 0 3 328.387 2.596 10 10 EFCEHN O=C(CC[N@H+]1CCc2ccccc2C1)NCc1c([O-])cccc1F ZINC000928708549 1297125944 /nfs/dbraw/zinc/12/59/44/1297125944.db2.gz OPPCAHLHFGJGDL-UHFFFAOYSA-N 0 3 328.387 2.596 10 10 EFCEHN CCN(C)c1ccc(CN(C)Cc2c[nH]c(C)c(OC)c2=O)cc1 ZINC000931324318 1297325947 /nfs/dbraw/zinc/32/59/47/1297325947.db2.gz BRBHWIULDJMRCI-UHFFFAOYSA-N 0 3 329.444 2.780 10 10 EFCEHN CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000851841178 1299429093 /nfs/dbraw/zinc/42/90/93/1299429093.db2.gz NSWCLMJKGXDDBT-DLBZAZTESA-N 0 3 335.444 2.915 10 10 EFCEHN CC1(C)OC[C@@H](CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)O1 ZINC000851841178 1299429096 /nfs/dbraw/zinc/42/90/96/1299429096.db2.gz NSWCLMJKGXDDBT-DLBZAZTESA-N 0 3 335.444 2.915 10 10 EFCEHN CC1(C)OC[C@H](CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000851841185 1299429708 /nfs/dbraw/zinc/42/97/08/1299429708.db2.gz NSWCLMJKGXDDBT-SJORKVTESA-N 0 3 335.444 2.915 10 10 EFCEHN CC1(C)OC[C@H](CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)O1 ZINC000851841185 1299429716 /nfs/dbraw/zinc/42/97/16/1299429716.db2.gz NSWCLMJKGXDDBT-SJORKVTESA-N 0 3 335.444 2.915 10 10 EFCEHN [O-]c1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841525 1299429823 /nfs/dbraw/zinc/42/98/23/1299429823.db2.gz VHZFAPANEPWUET-GDBMZVCRSA-N 0 3 327.371 2.797 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](CCO[C@@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841525 1299429828 /nfs/dbraw/zinc/42/98/28/1299429828.db2.gz VHZFAPANEPWUET-GDBMZVCRSA-N 0 3 327.371 2.797 10 10 EFCEHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000853583081 1300177319 /nfs/dbraw/zinc/17/73/19/1300177319.db2.gz OQLWVXHKSJVKDD-OAHLLOKOSA-N 0 3 349.475 2.583 10 10 EFCEHN CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853583607 1300177434 /nfs/dbraw/zinc/17/74/34/1300177434.db2.gz UOFIPRPKUACKFF-HNNXBMFYSA-N 0 3 327.428 2.733 10 10 EFCEHN CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853583607 1300177438 /nfs/dbraw/zinc/17/74/38/1300177438.db2.gz UOFIPRPKUACKFF-HNNXBMFYSA-N 0 3 327.428 2.733 10 10 EFCEHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000853583078 1300177776 /nfs/dbraw/zinc/17/77/76/1300177776.db2.gz OQLWVXHKSJVKDD-HNNXBMFYSA-N 0 3 349.475 2.583 10 10 EFCEHN CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCN(C)C1 ZINC000854176197 1300461491 /nfs/dbraw/zinc/46/14/91/1300461491.db2.gz BZOIDEWWQQVKAW-QFBILLFUSA-N 0 3 346.519 2.728 10 10 EFCEHN CN(C)c1ccc(/C=C\CN[C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432882 1302383752 /nfs/dbraw/zinc/38/37/52/1302383752.db2.gz QFIURTULNZQMPR-PRPIBZDOSA-N 0 3 326.440 2.969 10 10 EFCEHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000862474626 1302393693 /nfs/dbraw/zinc/39/36/93/1302393693.db2.gz WRTFKIIIMUMVQW-HXUWFJFHSA-N 0 3 341.407 2.823 10 10 EFCEHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000862474626 1302393702 /nfs/dbraw/zinc/39/37/02/1302393702.db2.gz WRTFKIIIMUMVQW-HXUWFJFHSA-N 0 3 341.407 2.823 10 10 EFCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000866413492 1303629218 /nfs/dbraw/zinc/62/92/18/1303629218.db2.gz RXQAABUZIYSDBB-OCCSQVGLSA-N 0 3 326.868 2.850 10 10 EFCEHN C[C@H](NC(=O)NCCN(C)Cc1ccccc1)c1ccccc1O ZINC000868131062 1304144428 /nfs/dbraw/zinc/14/44/28/1304144428.db2.gz XSGGVGIEDQJUJO-HNNXBMFYSA-N 0 3 327.428 2.884 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c1[O-] ZINC000903300144 1312550480 /nfs/dbraw/zinc/55/04/80/1312550480.db2.gz HDKYLPKSMGTRCT-KWBADKCTSA-N 0 3 343.265 2.907 10 10 EFCEHN COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179742165 1314714398 /nfs/dbraw/zinc/71/43/98/1314714398.db2.gz YSXRLXCBUQIOLQ-ZDUSSCGKSA-N 0 3 336.432 2.747 10 10 EFCEHN COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179742165 1314714401 /nfs/dbraw/zinc/71/44/01/1314714401.db2.gz YSXRLXCBUQIOLQ-ZDUSSCGKSA-N 0 3 336.432 2.747 10 10 EFCEHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC000193334224 1315405210 /nfs/dbraw/zinc/40/52/10/1315405210.db2.gz MWCIXRNGZZBXPU-GASCZTMLSA-N 0 3 348.443 2.700 10 10 EFCEHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c([O-])c1 ZINC000193334224 1315405214 /nfs/dbraw/zinc/40/52/14/1315405214.db2.gz MWCIXRNGZZBXPU-GASCZTMLSA-N 0 3 348.443 2.700 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC000382721440 1316556375 /nfs/dbraw/zinc/55/63/75/1316556375.db2.gz OQTMELMYPJRFTL-OCCSQVGLSA-N 0 3 336.432 2.975 10 10 EFCEHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)N(C)C)cc1 ZINC001290311274 1321897651 /nfs/dbraw/zinc/89/76/51/1321897651.db2.gz VITVCVDRDFDJIB-QGZVFWFLSA-N 0 3 342.439 2.622 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cncc(F)c2)cc1C ZINC001321023946 1329332694 /nfs/dbraw/zinc/33/26/94/1329332694.db2.gz KCRKFIWUSYGGMV-ONEGZZNKSA-N 0 3 343.402 2.614 10 10 EFCEHN CNC(=O)C[C@@H](NCc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001332004803 1330903202 /nfs/dbraw/zinc/90/32/02/1330903202.db2.gz OJKSOPZUMHHWIB-MRXNPFEDSA-N 0 3 328.412 2.676 10 10 EFCEHN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCCC2)O1 ZINC000848504076 1334761692 /nfs/dbraw/zinc/76/16/92/1334761692.db2.gz ATWWZXKXARJZEG-SUMWQHHRSA-N 0 3 333.428 2.742 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1[O-] ZINC000848523973 1334772067 /nfs/dbraw/zinc/77/20/67/1334772067.db2.gz PAHZNVXVAJARRR-PWSUYJOCSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1[O-] ZINC000848527445 1334774985 /nfs/dbraw/zinc/77/49/85/1334774985.db2.gz AXCHLZJVOQRTQF-BJOHPYRUSA-N 0 3 344.249 2.975 10 10 EFCEHN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848530712 1334777529 /nfs/dbraw/zinc/77/75/29/1334777529.db2.gz JRRBEKKWTHTZDJ-GXSJLCMTSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCO2)c1[O-] ZINC000848535975 1334781269 /nfs/dbraw/zinc/78/12/69/1334781269.db2.gz IOXIKSVSRKTIFW-SECBINFHSA-N 0 3 346.221 2.577 10 10 EFCEHN COCC1([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1 ZINC000848540651 1334784772 /nfs/dbraw/zinc/78/47/72/1334784772.db2.gz QFEJPQCFOFEJLV-SECBINFHSA-N 0 3 330.222 2.993 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000848546554 1334787868 /nfs/dbraw/zinc/78/78/68/1334787868.db2.gz BCBNUHZEAGSXFD-AQUOVQTQSA-N 0 3 344.249 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000848548212 1334787930 /nfs/dbraw/zinc/78/79/30/1334787930.db2.gz YEZVXJFAPQMGIG-UMNHJUIQSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CCO)CC2)c1[O-] ZINC000848547260 1334788101 /nfs/dbraw/zinc/78/81/01/1334788101.db2.gz LVMBOZSOBTWGFY-JTQLQIEISA-N 0 3 344.249 2.977 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CCO)CC2)c1[O-] ZINC000848547261 1334788120 /nfs/dbraw/zinc/78/81/20/1334788120.db2.gz LVMBOZSOBTWGFY-SNVBAGLBSA-N 0 3 344.249 2.977 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000848553074 1334791205 /nfs/dbraw/zinc/79/12/05/1334791205.db2.gz HZWCDLPBIFJZML-QEVYDEPDSA-N 0 3 330.222 2.727 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000848553073 1334791426 /nfs/dbraw/zinc/79/14/26/1334791426.db2.gz HZWCDLPBIFJZML-PWZJLYFZSA-N 0 3 330.222 2.727 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1[O-] ZINC000848554757 1334792676 /nfs/dbraw/zinc/79/26/76/1334792676.db2.gz BKYBHLWUACQLED-YWVKMMECSA-N 0 3 330.222 2.991 10 10 EFCEHN CC1CCN(C(=[NH2+])NCc2cc(Br)ccc2[O-])CC1 ZINC000849049195 1335057193 /nfs/dbraw/zinc/05/71/93/1335057193.db2.gz FIWQYVUVQAOIID-UHFFFAOYSA-N 0 3 326.238 2.911 10 10 EFCEHN COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001560074903 1415262397 /nfs/dbraw/zinc/26/23/97/1415262397.db2.gz KXXAGWJTZYJOLY-NSHDSACASA-N 0 3 345.355 2.598 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NCC2=CCCC2)N(C)C)cc1 ZINC001565100875 1415389636 /nfs/dbraw/zinc/38/96/36/1415389636.db2.gz OPSLIMRPBVVAMY-GOSISDBHSA-N 0 3 330.476 2.765 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC23CCC(CC2)C3)N(C)C)cc1 ZINC001565452931 1415396013 /nfs/dbraw/zinc/39/60/13/1415396013.db2.gz OFYJNJXDBXQNJV-VDUSKEEQSA-N 0 3 344.503 2.987 10 10 EFCEHN CC[C@H](F)CNC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322599 1416476544 /nfs/dbraw/zinc/47/65/44/1416476544.db2.gz OXUPUXZBYDIGHG-AAEUAGOBSA-N 0 3 337.399 2.647 10 10 EFCEHN C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001685608588 1416768764 /nfs/dbraw/zinc/76/87/64/1416768764.db2.gz DRTUDYHVSUUDPI-QAPCUYQASA-N 0 3 332.492 2.797 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NOC2CCCCC2)N(C)C)cc1 ZINC001686184305 1416791523 /nfs/dbraw/zinc/79/15/23/1416791523.db2.gz FZVZYTBDTMBJGP-GOSISDBHSA-N 0 3 348.491 2.919 10 10 EFCEHN COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccccc2[O-])cc1C ZINC001700736326 1417635212 /nfs/dbraw/zinc/63/52/12/1417635212.db2.gz BUTFJERUWXOJGQ-OAHLLOKOSA-N 0 3 342.439 2.960 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccc(C)n2C)cc1C ZINC001716267870 1418749533 /nfs/dbraw/zinc/74/95/33/1418749533.db2.gz HLTPDNNASOQEBU-AATRIKPKSA-N 0 3 341.455 2.726 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCC3(F)F)CC2)cc1C ZINC001716684628 1418957496 /nfs/dbraw/zinc/95/74/96/1418957496.db2.gz WLVNWNMOSFQAKZ-AWEZNQCLSA-N 0 3 338.398 2.787 10 10 EFCEHN C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580873 1425665039 /nfs/dbraw/zinc/66/50/39/1425665039.db2.gz ADKSOIOVYHVDBR-DHJOAMNBSA-N 0 3 349.822 2.794 10 10 EFCEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000052529412 716269167 /nfs/dbraw/zinc/26/91/67/716269167.db2.gz JIEVFUMWBICAKW-QGZVFWFLSA-N 0 3 330.476 2.570 10 10 EFCEHN CCC[C@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000161940910 716430801 /nfs/dbraw/zinc/43/08/01/716430801.db2.gz UGGKJLOMFWOCCS-GOSISDBHSA-N 0 3 333.476 2.511 10 10 EFCEHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)CN1CCCCC1 ZINC000027762760 716911731 /nfs/dbraw/zinc/91/17/31/716911731.db2.gz GAODCZORWYJNBQ-CQSZACIVSA-N 0 3 340.427 2.855 10 10 EFCEHN C[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CN2CCC1CC2 ZINC000311399101 718671802 /nfs/dbraw/zinc/67/18/02/718671802.db2.gz FHQVTWUFEOFSQR-AWEZNQCLSA-N 0 3 325.250 2.681 10 10 EFCEHN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CN2CCC1CC2 ZINC000311399101 718671805 /nfs/dbraw/zinc/67/18/05/718671805.db2.gz FHQVTWUFEOFSQR-AWEZNQCLSA-N 0 3 325.250 2.681 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000189661939 720616232 /nfs/dbraw/zinc/61/62/32/720616232.db2.gz JFKCHRIWHWFGFU-KGLIPLIRSA-N 0 3 333.350 2.687 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000189661939 720616234 /nfs/dbraw/zinc/61/62/34/720616234.db2.gz JFKCHRIWHWFGFU-KGLIPLIRSA-N 0 3 333.350 2.687 10 10 EFCEHN Cc1cc([O-])c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC000840917577 720965142 /nfs/dbraw/zinc/96/51/42/720965142.db2.gz KSJAPUUBYFNUFI-OAHLLOKOSA-N 0 3 337.895 2.566 10 10 EFCEHN Cc1cc([O-])c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(Cl)c1 ZINC000840917577 720965145 /nfs/dbraw/zinc/96/51/45/720965145.db2.gz KSJAPUUBYFNUFI-OAHLLOKOSA-N 0 3 337.895 2.566 10 10 EFCEHN COC(=O)c1c(CNC[C@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894204213 721198764 /nfs/dbraw/zinc/19/87/64/721198764.db2.gz JRRDJWLWQJBLPE-CYBMUJFWSA-N 0 3 334.391 2.763 10 10 EFCEHN CC[C@H](C)[C@@H](O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250446 721740575 /nfs/dbraw/zinc/74/05/75/721740575.db2.gz JRSPLLQLVYFROB-ZBEGNZNMSA-N 0 3 336.407 2.601 10 10 EFCEHN COc1cccc2c1CC[C@]2(CO)NCc1cc(C)cc(OC)c1O ZINC000895633864 724227926 /nfs/dbraw/zinc/22/79/26/724227926.db2.gz HCTWJMNYFGPSOM-HXUWFJFHSA-N 0 3 343.423 2.641 10 10 EFCEHN COc1cccc2c1CC[C@@]2(CO)NCc1ccc(N(C)C)cc1C ZINC000895635878 724236147 /nfs/dbraw/zinc/23/61/47/724236147.db2.gz ZCNDQDDAEZNCCX-NRFANRHFSA-N 0 3 340.467 2.993 10 10 EFCEHN C[NH+](C)[C@H](CNC(=O)NCc1c([O-])cccc1F)Cc1ccccc1 ZINC000913888721 725921569 /nfs/dbraw/zinc/92/15/69/725921569.db2.gz KQDNNJMUZISYEF-HNNXBMFYSA-N 0 3 345.418 2.503 10 10 EFCEHN COc1cc(CN2CCC[C@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164139456 727915913 /nfs/dbraw/zinc/91/59/13/727915913.db2.gz QJEINWQLBLMUMM-HNNXBMFYSA-N 0 3 334.460 2.799 10 10 EFCEHN CN(C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180894099 729772063 /nfs/dbraw/zinc/77/20/63/729772063.db2.gz VPEPOLUWYVOGLR-SOGBHIHOSA-N 0 3 326.396 2.530 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001648054515 1089936963 /nfs/dbraw/zinc/93/69/63/1089936963.db2.gz XXHZRTSEVSAWSU-NWDGAFQWSA-N 0 3 329.356 2.978 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1[O-] ZINC000690797455 1094461697 /nfs/dbraw/zinc/46/16/97/1094461697.db2.gz AKWDPLQITPZEGZ-AAEUAGOBSA-N 0 3 326.234 2.931 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1[O-] ZINC000690797455 1094461704 /nfs/dbraw/zinc/46/17/04/1094461704.db2.gz AKWDPLQITPZEGZ-AAEUAGOBSA-N 0 3 326.234 2.931 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001268533272 1097140397 /nfs/dbraw/zinc/14/03/97/1097140397.db2.gz KNNXDBCMKSMPOC-JWAQTBJPSA-N 0 3 339.439 2.807 10 10 EFCEHN CC[C@@H]1CCO[C@@H]1C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001269428510 1098131742 /nfs/dbraw/zinc/13/17/42/1098131742.db2.gz ONXXQWNHNOLAHX-AEFFLSMTSA-N 0 3 346.471 2.557 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccsn3)CC2)cc1C ZINC001269432645 1098133050 /nfs/dbraw/zinc/13/30/50/1098133050.db2.gz KDSOZVUSOBWQRQ-UHFFFAOYSA-N 0 3 331.441 2.512 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3(C4CC4)CC3)CC2)cc1C ZINC001269432290 1098133124 /nfs/dbraw/zinc/13/31/24/1098133124.db2.gz AYEAHTWIWDLBJQ-UHFFFAOYSA-N 0 3 328.456 2.932 10 10 EFCEHN CC(C)[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001635992352 1100691989 /nfs/dbraw/zinc/69/19/89/1100691989.db2.gz FJIVYMJAIACXEE-RCCFBDPRSA-N 0 3 332.492 2.699 10 10 EFCEHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCN1C ZINC001637380927 1100777708 /nfs/dbraw/zinc/77/77/08/1100777708.db2.gz ZBGLAISSBVNQGS-SFHVURJKSA-N 0 3 330.476 2.522 10 10 EFCEHN Cc1cc(C(=O)NOCCN(C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001637993056 1100824281 /nfs/dbraw/zinc/82/42/81/1100824281.db2.gz OWKRFPBUIMKNBJ-UHFFFAOYSA-N 0 3 329.444 2.934 10 10 EFCEHN CCN1CCN(c2cccc(NC(=O)c3cc(F)ccc3N)c2)CC1 ZINC001639084823 1100911482 /nfs/dbraw/zinc/91/14/82/1100911482.db2.gz JZLORSPGJKNLCI-UHFFFAOYSA-N 0 3 342.418 2.802 10 10 EFCEHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001639444747 1100949333 /nfs/dbraw/zinc/94/93/33/1100949333.db2.gz YDIBQZWFJGCSKZ-UHFFFAOYSA-N 0 3 340.379 2.836 10 10 EFCEHN COC(=O)/C=C/c1ccc(N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001643074860 1101268937 /nfs/dbraw/zinc/26/89/37/1101268937.db2.gz KGERELIRUMSVJG-DBWMJRBXSA-N 0 3 347.415 2.557 10 10 EFCEHN COc1ccc(N(C)CCN(C)C[C@H]2COc3ccccc3O2)cc1 ZINC001654947323 1101772325 /nfs/dbraw/zinc/77/23/25/1101772325.db2.gz JDAVOPXIJQVBPY-SFHVURJKSA-N 0 3 342.439 2.903 10 10 EFCEHN COC1CCN(c2ccc(CN3CCN4C[C@@H](F)C[C@H]4C3)cc2)CC1 ZINC001656384111 1102044773 /nfs/dbraw/zinc/04/47/73/1102044773.db2.gz GDUYNDHHVYOSPT-HKUYNNGSSA-N 0 3 347.478 2.530 10 10 EFCEHN CN(CCF)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266475521 1102223058 /nfs/dbraw/zinc/22/30/58/1102223058.db2.gz HCNCYMNZWNFDLG-ZDUSSCGKSA-N 0 3 349.410 2.603 10 10 EFCEHN CCCN(CC(=O)N1C[C@@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001657433979 1102382324 /nfs/dbraw/zinc/38/23/24/1102382324.db2.gz CLVFARUMGQCCJJ-OAHLLOKOSA-N 0 3 334.460 2.630 10 10 EFCEHN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000697059107 1103020375 /nfs/dbraw/zinc/02/03/75/1103020375.db2.gz XNARMHVUXMVVOF-UHFFFAOYSA-N 0 3 336.432 2.556 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@@H](O)CO2 ZINC000905678818 1103492351 /nfs/dbraw/zinc/49/23/51/1103492351.db2.gz RBCQQAXFYYNYQW-GXTWGEPZSA-N 0 3 347.308 2.684 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@@H](O)CO2 ZINC000905678818 1103492359 /nfs/dbraw/zinc/49/23/59/1103492359.db2.gz RBCQQAXFYYNYQW-GXTWGEPZSA-N 0 3 347.308 2.684 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001668877923 1105391011 /nfs/dbraw/zinc/39/10/11/1105391011.db2.gz SBHGHFLXZZILCZ-JZIMQPMSSA-N 0 3 338.398 2.811 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cocc2C)cc1C ZINC001668979541 1105410128 /nfs/dbraw/zinc/41/01/28/1105410128.db2.gz VPVJGVGTWYMORD-PLNGDYQASA-N 0 3 328.412 2.981 10 10 EFCEHN CC[C@@H]1CC[C@H](C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)O1 ZINC001483015175 1105556006 /nfs/dbraw/zinc/55/60/06/1105556006.db2.gz FYMRXZAKUNOOLL-IBMJZYDUSA-N 0 3 346.471 2.723 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 ZINC000925320951 1106382802 /nfs/dbraw/zinc/38/28/02/1106382802.db2.gz NJTMKDSYFBVJBE-QAPCUYQASA-N 0 3 332.492 2.767 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cc(C)co2)cc1C ZINC001483048409 1106454593 /nfs/dbraw/zinc/45/45/93/1106454593.db2.gz RWFZGTQRKORERL-PLNGDYQASA-N 0 3 328.412 2.981 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cc[nH]c3C)CC2)cc1C ZINC001483724766 1108347262 /nfs/dbraw/zinc/34/72/62/1108347262.db2.gz CNPVURNQHPDTFO-UHFFFAOYSA-N 0 3 327.428 2.692 10 10 EFCEHN CC(C)CN(Cc1cc2c(cc1O)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000032888223 202239730 /nfs/dbraw/zinc/23/97/30/202239730.db2.gz QTWDCEXJKPRUMA-KRWDZBQOSA-N 0 3 337.485 2.526 10 10 EFCEHN c1cc(CNCc2ccc(N3CCOCC3)cc2)cc2c1OCO2 ZINC000022770189 212322974 /nfs/dbraw/zinc/32/29/74/212322974.db2.gz MRWRRAJGEDLCJA-UHFFFAOYSA-N 0 3 326.396 2.542 10 10 EFCEHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000191807050 240009474 /nfs/dbraw/zinc/00/94/74/240009474.db2.gz DCUINHIIXIRFFC-MRXNPFEDSA-N 0 3 332.350 2.561 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194926259 240188287 /nfs/dbraw/zinc/18/82/87/240188287.db2.gz NXHVFTYJBYOLDI-CYBMUJFWSA-N 0 3 346.431 2.620 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194926259 240188292 /nfs/dbraw/zinc/18/82/92/240188292.db2.gz NXHVFTYJBYOLDI-CYBMUJFWSA-N 0 3 346.431 2.620 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1[O-] ZINC000249985692 240304077 /nfs/dbraw/zinc/30/40/77/240304077.db2.gz ZCWVSUBGXXASBS-YNEHKIRRSA-N 0 3 342.233 2.820 10 10 EFCEHN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247920087 240285491 /nfs/dbraw/zinc/28/54/91/240285491.db2.gz BREGTARULVIIMM-IEBWSBKVSA-N 0 3 339.439 2.979 10 10 EFCEHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1Cc1ccc(F)cc1 ZINC000296270283 241080355 /nfs/dbraw/zinc/08/03/55/241080355.db2.gz CCROCXAULCWWJY-SJORKVTESA-N 0 3 340.398 2.909 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000367415050 242379990 /nfs/dbraw/zinc/37/99/90/242379990.db2.gz JSHRNQXESCEFNW-UHFFFAOYSA-N 0 3 330.476 2.522 10 10 EFCEHN C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000185272318 473382846 /nfs/dbraw/zinc/38/28/46/473382846.db2.gz TYUNUTOIQZMULS-LBPRGKRZSA-N 0 3 349.381 2.753 10 10 EFCEHN COc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1[O-] ZINC000006647560 471555840 /nfs/dbraw/zinc/55/58/40/471555840.db2.gz JAVKQHBPTMSNCB-UHFFFAOYSA-N 0 3 332.444 2.625 10 10 EFCEHN c1ccc(-c2nnc(CNCc3ccc(N4CCOCC4)cc3)[nH]2)cc1 ZINC000075612370 472170174 /nfs/dbraw/zinc/17/01/74/472170174.db2.gz XJUWQWSUVHWTEF-UHFFFAOYSA-N 0 3 349.438 2.598 10 10 EFCEHN c1ccc(-c2nnc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)[n-]2)cc1 ZINC000075612370 472170182 /nfs/dbraw/zinc/17/01/82/472170182.db2.gz XJUWQWSUVHWTEF-UHFFFAOYSA-N 0 3 349.438 2.598 10 10 EFCEHN CCCN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000068973622 472274666 /nfs/dbraw/zinc/27/46/66/472274666.db2.gz OFKGTMGHACXOSU-HKUYNNGSSA-N 0 3 346.471 2.774 10 10 EFCEHN Cc1cc(O)c(CN2CCC[C@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416010 472566899 /nfs/dbraw/zinc/56/68/99/472566899.db2.gz GMJFXXJYLWKHAW-ZDUSSCGKSA-N 0 3 346.456 2.711 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416010 472566903 /nfs/dbraw/zinc/56/69/03/472566903.db2.gz GMJFXXJYLWKHAW-ZDUSSCGKSA-N 0 3 346.456 2.711 10 10 EFCEHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416010 472566908 /nfs/dbraw/zinc/56/69/08/472566908.db2.gz GMJFXXJYLWKHAW-ZDUSSCGKSA-N 0 3 346.456 2.711 10 10 EFCEHN CCOc1cccc(C[NH2+]CCN2CCc3ccccc3C2)c1[O-] ZINC000058440397 472570232 /nfs/dbraw/zinc/57/02/32/472570232.db2.gz UIWDWYKXTNCQKJ-UHFFFAOYSA-N 0 3 326.440 2.939 10 10 EFCEHN CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121053301 472790280 /nfs/dbraw/zinc/79/02/80/472790280.db2.gz CZRLFRIHJLDDMN-IRXDYDNUSA-N 0 3 337.460 2.549 10 10 EFCEHN CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121053301 472790288 /nfs/dbraw/zinc/79/02/88/472790288.db2.gz CZRLFRIHJLDDMN-IRXDYDNUSA-N 0 3 337.460 2.549 10 10 EFCEHN c1nn(-c2ccccc2)cc1CNCc1ccc(N2CCOCC2)cc1 ZINC000048710739 472902507 /nfs/dbraw/zinc/90/25/07/472902507.db2.gz FTWNUYMCRGCMOC-UHFFFAOYSA-N 0 3 348.450 2.999 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121950792 472952336 /nfs/dbraw/zinc/95/23/36/472952336.db2.gz CHMYNFOOLQPZCK-INIZCTEOSA-N 0 3 344.459 2.911 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121950792 472952342 /nfs/dbraw/zinc/95/23/42/472952342.db2.gz CHMYNFOOLQPZCK-INIZCTEOSA-N 0 3 344.459 2.911 10 10 EFCEHN Cn1nccc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092810381 472988630 /nfs/dbraw/zinc/98/86/30/472988630.db2.gz JYLZJLYRGKTDLI-UHFFFAOYSA-N 0 3 340.471 2.636 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092813954 472990258 /nfs/dbraw/zinc/99/02/58/472990258.db2.gz JWRIGFOVOKYPBT-CQSZACIVSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092813954 472990266 /nfs/dbraw/zinc/99/02/66/472990266.db2.gz JWRIGFOVOKYPBT-CQSZACIVSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000093272711 473072427 /nfs/dbraw/zinc/07/24/27/473072427.db2.gz SNTHCXJLGCAMGO-UHFFFAOYSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)c1[O-] ZINC000185671164 473485186 /nfs/dbraw/zinc/48/51/86/473485186.db2.gz RWOCLIGVWMFXQH-IAGOWNOFSA-N 0 3 335.444 2.855 10 10 EFCEHN CCn1cc(C2CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)cn1 ZINC000152182212 473533573 /nfs/dbraw/zinc/53/35/73/473533573.db2.gz OKOGXNWEPASDEQ-UHFFFAOYSA-N 0 3 329.400 2.717 10 10 EFCEHN CCn1cc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)cn1 ZINC000152182212 473533577 /nfs/dbraw/zinc/53/35/77/473533577.db2.gz OKOGXNWEPASDEQ-UHFFFAOYSA-N 0 3 329.400 2.717 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2[O-])ncn1 ZINC000185992802 473566728 /nfs/dbraw/zinc/56/67/28/473566728.db2.gz CHAABBZZFHZYMI-OCCSQVGLSA-N 0 3 345.422 2.683 10 10 EFCEHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000186110062 473593406 /nfs/dbraw/zinc/59/34/06/473593406.db2.gz GUEPHLZWTXWGPB-CJNGLKHVSA-N 0 3 331.460 2.725 10 10 EFCEHN C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000186194214 473612487 /nfs/dbraw/zinc/61/24/87/473612487.db2.gz XMOOGNAOKSDDGE-QGTPRVQTSA-N 0 3 344.430 2.817 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293436 473639826 /nfs/dbraw/zinc/63/98/26/473639826.db2.gz FWKDEFFAZYCYEM-OLZOCXBDSA-N 0 3 330.432 2.781 10 10 EFCEHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000179590648 473697062 /nfs/dbraw/zinc/69/70/62/473697062.db2.gz JRFMUSUOYMAEMP-UHFFFAOYSA-N 0 3 332.444 2.625 10 10 EFCEHN COc1ccc(O)c(CN2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000179590648 473697064 /nfs/dbraw/zinc/69/70/64/473697064.db2.gz JRFMUSUOYMAEMP-UHFFFAOYSA-N 0 3 332.444 2.625 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000179847068 473741384 /nfs/dbraw/zinc/74/13/84/473741384.db2.gz PCBSTWRJFWFEPU-MRXNPFEDSA-N 0 3 345.867 2.588 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000179847068 473741392 /nfs/dbraw/zinc/74/13/92/473741392.db2.gz PCBSTWRJFWFEPU-MRXNPFEDSA-N 0 3 345.867 2.588 10 10 EFCEHN O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000180411501 473871101 /nfs/dbraw/zinc/87/11/01/473871101.db2.gz QKLZNXPSJIKIQM-UHFFFAOYSA-N 0 3 328.387 2.926 10 10 EFCEHN CCN(CC)c1ccc(CN[C@@H](Cn2cncn2)C2CC2)cc1F ZINC000225408204 474210494 /nfs/dbraw/zinc/21/04/94/474210494.db2.gz STGLARLDCOSZAY-KRWDZBQOSA-N 0 3 331.439 2.832 10 10 EFCEHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189050515 474276696 /nfs/dbraw/zinc/27/66/96/474276696.db2.gz NFDZWFQFNQNICP-DYVFJYSZSA-N 0 3 328.387 2.983 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183268022 474363238 /nfs/dbraw/zinc/36/32/38/474363238.db2.gz SJKAOQSVYRQGEK-UHFFFAOYSA-N 0 3 325.836 2.983 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183268022 474363246 /nfs/dbraw/zinc/36/32/46/474363246.db2.gz SJKAOQSVYRQGEK-UHFFFAOYSA-N 0 3 325.836 2.983 10 10 EFCEHN COc1ccc(N2CCN(CCN[C@@H](C)c3ccncc3)CC2)cc1 ZINC000271062515 474392857 /nfs/dbraw/zinc/39/28/57/474392857.db2.gz HKCDJLYEAISZHK-KRWDZBQOSA-N 0 3 340.471 2.563 10 10 EFCEHN COc1cc(O)c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000271116651 474402501 /nfs/dbraw/zinc/40/25/01/474402501.db2.gz WIEBRZVHYMLFMJ-GFCCVEGCSA-N 0 3 337.416 2.573 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283504582 474421795 /nfs/dbraw/zinc/42/17/95/474421795.db2.gz ZAWGEILAFDTFSH-IYOUNJFTSA-N 0 3 335.444 2.619 10 10 EFCEHN COc1ccc(N2CCN(CC3CCC4(CC3)OCCO4)CC2)cc1 ZINC000190170780 474559458 /nfs/dbraw/zinc/55/94/58/474559458.db2.gz CWDWRKNGAVTTQP-UHFFFAOYSA-N 0 3 346.471 2.751 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1[O-] ZINC000190331406 474578740 /nfs/dbraw/zinc/57/87/40/474578740.db2.gz ZCWVSUBGXXASBS-UPJWGTAASA-N 0 3 342.233 2.820 10 10 EFCEHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000184670672 474580010 /nfs/dbraw/zinc/58/00/10/474580010.db2.gz ICXPDPVRZFVUAP-LBPRGKRZSA-N 0 3 336.823 2.558 10 10 EFCEHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000184670672 474580016 /nfs/dbraw/zinc/58/00/16/474580016.db2.gz ICXPDPVRZFVUAP-LBPRGKRZSA-N 0 3 336.823 2.558 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000271858940 474596199 /nfs/dbraw/zinc/59/61/99/474596199.db2.gz VMCVSBGRZDPGEQ-DLBZAZTESA-N 0 3 335.831 2.928 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2)n(C)n1 ZINC000278172501 474602172 /nfs/dbraw/zinc/60/21/72/474602172.db2.gz BBSQMZFBQSNWQS-DZGCQCFKSA-N 0 3 332.423 2.893 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2)n(C)n1 ZINC000278172510 474602199 /nfs/dbraw/zinc/60/21/99/474602199.db2.gz BBSQMZFBQSNWQS-UKRRQHHQSA-N 0 3 332.423 2.893 10 10 EFCEHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)c(C)n1-c1ccccn1 ZINC000268101509 474798283 /nfs/dbraw/zinc/79/82/83/474798283.db2.gz HZKCDZWZZWZTIQ-MRXNPFEDSA-N 0 3 326.444 2.655 10 10 EFCEHN CC(C)N1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293520429 475020197 /nfs/dbraw/zinc/02/01/97/475020197.db2.gz CXFVMKNRUCISPM-UHFFFAOYSA-N 0 3 330.831 2.510 10 10 EFCEHN CCN1CCN(c2ccc(CNCc3cnccc3C)cc2F)CC1 ZINC000280939269 475058327 /nfs/dbraw/zinc/05/83/27/475058327.db2.gz QTPDJAUIJWEMBI-UHFFFAOYSA-N 0 3 342.462 2.961 10 10 EFCEHN COc1cc([O-])c(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1OC ZINC000295139043 475107531 /nfs/dbraw/zinc/10/75/31/475107531.db2.gz PNRQORVFVQFALD-UHFFFAOYSA-N 0 3 335.444 2.927 10 10 EFCEHN c1n[nH]cc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372433631 477797202 /nfs/dbraw/zinc/79/72/02/477797202.db2.gz MISDHIFYVLQQFJ-UHFFFAOYSA-N 0 3 326.444 2.626 10 10 EFCEHN Cc1noc(C)c1CO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000368358293 477799728 /nfs/dbraw/zinc/79/97/28/477799728.db2.gz SRSBHHXZOSFSOO-AWEZNQCLSA-N 0 3 346.383 2.517 10 10 EFCEHN Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000368358294 477800139 /nfs/dbraw/zinc/80/01/39/477800139.db2.gz SRSBHHXZOSFSOO-CQSZACIVSA-N 0 3 346.383 2.517 10 10 EFCEHN CC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2[O-])CCCC3)CC1 ZINC000530103926 477877161 /nfs/dbraw/zinc/87/71/61/477877161.db2.gz JDZXWBAFPXSEHJ-UHFFFAOYSA-N 0 3 344.499 2.958 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c([O-])c1 ZINC000527741568 478500068 /nfs/dbraw/zinc/50/00/68/478500068.db2.gz FIJQSOSXLAYZBF-CQSZACIVSA-N 0 3 329.322 2.881 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528286128 478708123 /nfs/dbraw/zinc/70/81/23/478708123.db2.gz FPUBTWNLOOHMIE-UKRRQHHQSA-N 0 3 347.459 2.778 10 10 EFCEHN CCN(CC)c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171903027 528303193 /nfs/dbraw/zinc/30/31/93/528303193.db2.gz XNJNYPNOZJEWMU-SFHVURJKSA-N 0 3 330.476 2.522 10 10 EFCEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000177541193 529066368 /nfs/dbraw/zinc/06/63/68/529066368.db2.gz XIXALJAQLOMYLC-LJQANCHMSA-N 0 3 342.487 2.689 10 10 EFCEHN CN(C)c1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000193443645 536148263 /nfs/dbraw/zinc/14/82/63/536148263.db2.gz VUUROBRIGAZLED-APWZRJJASA-N 0 3 327.472 2.728 10 10 EFCEHN COc1cc(O)c(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548938 536855932 /nfs/dbraw/zinc/85/59/32/536855932.db2.gz YKMGAMGEDFMODZ-DZGCQCFKSA-N 0 3 331.416 2.689 10 10 EFCEHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548938 536855938 /nfs/dbraw/zinc/85/59/38/536855938.db2.gz YKMGAMGEDFMODZ-DZGCQCFKSA-N 0 3 331.416 2.689 10 10 EFCEHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548938 536855944 /nfs/dbraw/zinc/85/59/44/536855944.db2.gz YKMGAMGEDFMODZ-DZGCQCFKSA-N 0 3 331.416 2.689 10 10 EFCEHN Cc1ccc(/C=C\C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cn1 ZINC000754359787 575424863 /nfs/dbraw/zinc/42/48/63/575424863.db2.gz ZTMIIVIALHWMEM-QXPKXGMISA-N 0 3 337.423 2.759 10 10 EFCEHN C[C@@H](N[C@@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281842 577026870 /nfs/dbraw/zinc/02/68/70/577026870.db2.gz SVDLCIMFBABDAQ-HUUCEWRRSA-N 0 3 337.895 2.921 10 10 EFCEHN COc1cccc(N2C[C@@H](NCc3ccc4c(c3)CCO4)CC2=O)c1 ZINC000725853039 577251115 /nfs/dbraw/zinc/25/11/15/577251115.db2.gz NBXVBNOQTRXHPT-INIZCTEOSA-N 0 3 338.407 2.525 10 10 EFCEHN C[C@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464035 577276032 /nfs/dbraw/zinc/27/60/32/577276032.db2.gz MTBCDYWWTMNZLM-ICSRJNTNSA-N 0 3 325.408 2.982 10 10 EFCEHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464035 577276033 /nfs/dbraw/zinc/27/60/33/577276033.db2.gz MTBCDYWWTMNZLM-ICSRJNTNSA-N 0 3 325.408 2.982 10 10 EFCEHN CCOc1ccc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)c([O-])c1 ZINC000769147462 577339123 /nfs/dbraw/zinc/33/91/23/577339123.db2.gz VCSVEYBEOFEGMG-UHFFFAOYSA-N 0 3 334.460 2.871 10 10 EFCEHN CN(C)c1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000769405391 577360170 /nfs/dbraw/zinc/36/01/70/577360170.db2.gz UYHOEAFXSNFFMI-INIZCTEOSA-N 0 3 333.451 2.726 10 10 EFCEHN CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000850485601 1250501878 /nfs/dbraw/zinc/50/18/78/1250501878.db2.gz LXVKDKKFZFWZTF-OAHLLOKOSA-N 0 3 325.474 2.956 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3ncc(CN(C)C)s3)C2)cc1 ZINC000850346544 1250440225 /nfs/dbraw/zinc/44/02/25/1250440225.db2.gz GVHDZUCPGRDPFL-AWEZNQCLSA-N 0 3 346.500 2.582 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000850346382 1250440391 /nfs/dbraw/zinc/44/03/91/1250440391.db2.gz TUSYMLIRFLHCBF-OAHLLOKOSA-N 0 3 327.384 2.972 10 10 EFCEHN [O-]c1ccccc1C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000850389370 1250462294 /nfs/dbraw/zinc/46/22/94/1250462294.db2.gz VRPDZBNMDLHBPT-UHFFFAOYSA-N 0 3 337.467 2.837 10 10 EFCEHN C[C@H](O)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419669 1250477652 /nfs/dbraw/zinc/47/76/52/1250477652.db2.gz GQCWSXCHJIDGFO-JXFKEZNVSA-N 0 3 326.440 2.735 10 10 EFCEHN COc1ccc(N2CC[C@@H](N[C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486193 1250502928 /nfs/dbraw/zinc/50/29/28/1250502928.db2.gz AOSUCTNAIZYFJR-CRAIPNDOSA-N 0 3 326.444 2.748 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCC2)c1[O-] ZINC000850487198 1250504650 /nfs/dbraw/zinc/50/46/50/1250504650.db2.gz GGRQILUMCWVUEC-ZANVPECISA-N 0 3 344.249 2.975 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000850495888 1250508481 /nfs/dbraw/zinc/50/84/81/1250508481.db2.gz KJNDIDOIDLRVFL-PYTJKZLFSA-N 0 3 339.354 2.980 10 10 EFCEHN C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(F)ccc1[O-] ZINC000850557053 1250535114 /nfs/dbraw/zinc/53/51/14/1250535114.db2.gz KKYFBEDMNSRKDT-FSPWUOQZSA-N 0 3 334.435 2.825 10 10 EFCEHN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H](N)C3)cc2)CC1 ZINC000851656741 1251182966 /nfs/dbraw/zinc/18/29/66/1251182966.db2.gz PQCJZHNOGFOHSY-QZTJIDSGSA-N 0 3 348.466 2.504 10 10 EFCEHN O[C@H](CNCc1ccc2c(c1)CCCO2)C(F)(F)C(F)(F)F ZINC000922336902 1265617810 /nfs/dbraw/zinc/61/78/10/1265617810.db2.gz GBMRSUCOUSOKTE-GFCCVEGCSA-N 0 3 325.277 2.660 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653670 1278219199 /nfs/dbraw/zinc/21/91/99/1278219199.db2.gz FELPEDYFUJBDKX-APHBMKBZSA-N 0 3 325.836 2.716 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653670 1278219212 /nfs/dbraw/zinc/21/92/12/1278219212.db2.gz FELPEDYFUJBDKX-APHBMKBZSA-N 0 3 325.836 2.716 10 10 EFCEHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130402 1278423908 /nfs/dbraw/zinc/42/39/08/1278423908.db2.gz XJOYTEHXFQERTC-MLGOLLRUSA-N 0 3 346.393 2.743 10 10 EFCEHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1=O ZINC000742393206 1270019377 /nfs/dbraw/zinc/01/93/77/1270019377.db2.gz WVNGQNKHQDXMRK-AYBZRNKSSA-N 0 3 327.472 2.776 10 10 EFCEHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1F ZINC000742392851 1270020293 /nfs/dbraw/zinc/02/02/93/1270020293.db2.gz TUQWQBOSYBBDFQ-JCKWVBRZSA-N 0 3 333.451 2.771 10 10 EFCEHN CCN(Cc1ccc(N(C)C)cc1)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000787769200 1275902119 /nfs/dbraw/zinc/90/21/19/1275902119.db2.gz BOOWMLONDHBCHY-GJZGRUSLSA-N 0 3 326.387 2.629 10 10 EFCEHN COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(C)ccc3[O-])C2)cc1 ZINC000818222198 1276493361 /nfs/dbraw/zinc/49/33/61/1276493361.db2.gz VJGQGIJGXFNLDI-HNNXBMFYSA-N 0 3 327.428 2.720 10 10 EFCEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361517 1276519178 /nfs/dbraw/zinc/51/91/78/1276519178.db2.gz KDPYXZYYNVJABV-XJKSGUPXSA-N 0 3 347.434 2.614 10 10 EFCEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361516 1276519587 /nfs/dbraw/zinc/51/95/87/1276519587.db2.gz KDPYXZYYNVJABV-CZUORRHYSA-N 0 3 347.434 2.614 10 10 EFCEHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362599 1276520150 /nfs/dbraw/zinc/52/01/50/1276520150.db2.gz YBAKHDBKQZUGFI-YJBOKZPZSA-N 0 3 343.471 2.865 10 10 EFCEHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@@H]1n1cccn1 ZINC000815167233 1287362280 /nfs/dbraw/zinc/36/22/80/1287362280.db2.gz VNJQEMDRGVBIKF-JQHSSLGASA-N 0 3 332.423 2.597 10 10 EFCEHN COCC(C)(C)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000822497367 1289015386 /nfs/dbraw/zinc/01/53/86/1289015386.db2.gz AGZQBSSUALLFIM-VOTSOKGWSA-N 0 3 331.504 2.808 10 10 EFCEHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000846194044 1280066604 /nfs/dbraw/zinc/06/66/04/1280066604.db2.gz QWGSJAXCZGIFRP-NHYWBVRUSA-N 0 3 344.249 2.655 10 10 EFCEHN C/C(=C\c1cccnc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000846923432 1280620394 /nfs/dbraw/zinc/62/03/94/1280620394.db2.gz RDPZXKSTDHFDQQ-JMPLCFMRSA-N 0 3 337.423 2.841 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@](C)(CO)C(C)C)c1[O-] ZINC000810172960 1282965207 /nfs/dbraw/zinc/96/52/07/1282965207.db2.gz SEJQHMDFNXCJIS-CQSZACIVSA-N 0 3 332.238 2.660 10 10 EFCEHN Cc1cc(NCCc2ccc(O)c(O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000811810841 1284642386 /nfs/dbraw/zinc/64/23/86/1284642386.db2.gz FKKYGVKUIGTEMI-UHFFFAOYSA-N 0 3 339.351 2.939 10 10 EFCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000816955332 1288339806 /nfs/dbraw/zinc/33/98/06/1288339806.db2.gz ZKXRJGRCFZQXLK-GDBMZVCRSA-N 0 3 329.469 2.932 10 10 EFCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816955335 1288340543 /nfs/dbraw/zinc/34/05/43/1288340543.db2.gz ZKXRJGRCFZQXLK-ZBFHGGJFSA-N 0 3 329.469 2.932 10 10 EFCEHN c1c(CNCc2ccc(N3CCOCC3)cc2)[nH]nc1-c1ccccn1 ZINC001177483465 1288444709 /nfs/dbraw/zinc/44/47/09/1288444709.db2.gz SSNLNXVJWGGQGA-UHFFFAOYSA-N 0 3 349.438 2.598 10 10 EFCEHN Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c([O-])c1O ZINC001180534977 1289552801 /nfs/dbraw/zinc/55/28/01/1289552801.db2.gz VKNWWKLMQJAIFE-GDBMZVCRSA-N 0 3 332.444 2.741 10 10 EFCEHN COc1ccc(N2CCCN(Cc3cnn4c3CCC4)CC2)cc1 ZINC000824606400 1289724462 /nfs/dbraw/zinc/72/44/62/1289724462.db2.gz RSRXSXWJRNMXLB-UHFFFAOYSA-N 0 3 326.444 2.550 10 10 EFCEHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000795693924 1291212363 /nfs/dbraw/zinc/21/23/63/1291212363.db2.gz RIHWXUCSLPZAPL-MRXNPFEDSA-N 0 3 343.345 2.808 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nc3c(s2)CCC3)c1 ZINC000775368763 1292051638 /nfs/dbraw/zinc/05/16/38/1292051638.db2.gz FBHJOONNQMNMGN-SNVBAGLBSA-N 0 3 347.440 2.635 10 10 EFCEHN CC1CC(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001233587427 1312961555 /nfs/dbraw/zinc/96/15/55/1312961555.db2.gz YLEWFIRYNFKAGB-JMLCCBQJSA-N 0 3 332.492 2.701 10 10 EFCEHN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000852413192 1299694629 /nfs/dbraw/zinc/69/46/29/1299694629.db2.gz PZVKGTDFVVLBRP-STQMWFEESA-N 0 3 335.448 2.634 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000852412277 1299694892 /nfs/dbraw/zinc/69/48/92/1299694892.db2.gz PCMCPQBOAKSWNA-KRWDZBQOSA-N 0 3 332.492 2.767 10 10 EFCEHN CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCN(C)C1 ZINC000853411871 1300108355 /nfs/dbraw/zinc/10/83/55/1300108355.db2.gz OQRSDOCIJWNCSR-SFHVURJKSA-N 0 3 330.476 2.522 10 10 EFCEHN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(O)c1[O-] ZINC000854513567 1300603506 /nfs/dbraw/zinc/60/35/06/1300603506.db2.gz OXGKRJYHTHEIIP-NVXWUHKLSA-N 0 3 338.407 2.854 10 10 EFCEHN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(O)c1[O-] ZINC000854513567 1300603514 /nfs/dbraw/zinc/60/35/14/1300603514.db2.gz OXGKRJYHTHEIIP-NVXWUHKLSA-N 0 3 338.407 2.854 10 10 EFCEHN CN(CCOCC[N@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000862489193 1302400532 /nfs/dbraw/zinc/40/05/32/1302400532.db2.gz CZDQKPHQHKKBGZ-UHFFFAOYSA-N 0 3 338.448 2.708 10 10 EFCEHN CN(CCOCC[N@@H+](C)Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000862489193 1302400539 /nfs/dbraw/zinc/40/05/39/1302400539.db2.gz CZDQKPHQHKKBGZ-UHFFFAOYSA-N 0 3 338.448 2.708 10 10 EFCEHN C[C@H](NCc1ccc(N2CCCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000796492517 1303566955 /nfs/dbraw/zinc/56/69/55/1303566955.db2.gz TVTYFXBWJOFMMA-HNNXBMFYSA-N 0 3 336.501 2.732 10 10 EFCEHN C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2[O-] ZINC000866432896 1303637577 /nfs/dbraw/zinc/63/75/77/1303637577.db2.gz FGFXILKDFGCOGE-SMDDNHRTSA-N 0 3 339.374 2.845 10 10 EFCEHN C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1cc(F)ccc1[O-] ZINC000866576645 1303694810 /nfs/dbraw/zinc/69/48/10/1303694810.db2.gz KZFZMEZLNKYODE-ZDUSSCGKSA-N 0 3 343.402 2.907 10 10 EFCEHN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000866576892 1303694876 /nfs/dbraw/zinc/69/48/76/1303694876.db2.gz BDSDAQSZRNTSMR-AWEZNQCLSA-N 0 3 348.468 2.502 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)/C=C\c3ccc[nH]3)CC2)cc1C ZINC001277044339 1311524784 /nfs/dbraw/zinc/52/47/84/1311524784.db2.gz ZOSLKCBZIAEPEL-VURMDHGXSA-N 0 3 339.439 2.784 10 10 EFCEHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC001251400365 1315346116 /nfs/dbraw/zinc/34/61/16/1315346116.db2.gz HUIAOSUQXQDXCM-YOEHRIQHSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1cc(O)c(CNCc2c(C3CCC3)cnn2C)cc1OC ZINC000827401551 1315979709 /nfs/dbraw/zinc/97/97/09/1315979709.db2.gz ZYAAVOWCIUGRRX-UHFFFAOYSA-N 0 3 331.416 2.700 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2cc[nH]c2C)cc1C ZINC001321013848 1329331851 /nfs/dbraw/zinc/33/18/51/1329331851.db2.gz PCZKOGZKROQEIR-SNAWJCMRSA-N 0 3 327.428 2.716 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3(CF)CCC3)CC2)cc1C ZINC001323541475 1329550333 /nfs/dbraw/zinc/55/03/33/1329550333.db2.gz IRSKZQAYIDXDRT-UHFFFAOYSA-N 0 3 334.435 2.882 10 10 EFCEHN CCCN1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373372 1330588733 /nfs/dbraw/zinc/58/87/33/1330588733.db2.gz JVESYRPLQVCAEQ-APWZRJJASA-N 0 3 345.487 2.655 10 10 EFCEHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCCC[C@@]32C)cc1 ZINC001329361705 1330698827 /nfs/dbraw/zinc/69/88/27/1330698827.db2.gz PCPGCIBQTAQGBA-PXNSSMCTSA-N 0 3 329.488 2.976 10 10 EFCEHN CCc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC001335858639 1331410609 /nfs/dbraw/zinc/41/06/09/1331410609.db2.gz DLYASRLKNZCXOK-INIZCTEOSA-N 0 3 345.447 2.727 10 10 EFCEHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000847474255 1333768959 /nfs/dbraw/zinc/76/89/59/1333768959.db2.gz IINYXOXGNPCWOM-QGZVFWFLSA-N 0 3 329.488 2.881 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCn2ccnc2)c1[O-] ZINC000848514223 1334768440 /nfs/dbraw/zinc/76/84/40/1334768440.db2.gz LKQNXEWCKWWYAI-JTQLQIEISA-N 0 3 340.221 2.711 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCC2)c1[O-] ZINC000848513501 1334768522 /nfs/dbraw/zinc/76/85/22/1334768522.db2.gz FNEJDRMHXCQDOI-NSHDSACASA-N 0 3 343.265 2.910 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000848524336 1334773146 /nfs/dbraw/zinc/77/31/46/1334773146.db2.gz HWYKGUZPHUNJKL-VHSXEESVSA-N 0 3 331.254 2.764 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCCO)c1[O-] ZINC000848532646 1334779995 /nfs/dbraw/zinc/77/99/95/1334779995.db2.gz KISQZCCFUOAZHB-UWVGGRQHSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1ccc(N2CCC(NCc3cc4n(n3)CCCC4)CC2)cc1 ZINC000848535452 1334780774 /nfs/dbraw/zinc/78/07/74/1334780774.db2.gz ZWIOTPMPYQMJDV-UHFFFAOYSA-N 0 3 340.471 2.987 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000848923123 1334989601 /nfs/dbraw/zinc/98/96/01/1334989601.db2.gz GQPBOLKRJSMIPW-UPJWGTAASA-N 0 3 342.867 2.642 10 10 EFCEHN C[C@@H]1CCCN(C(=[NH2+])NCc2cc(Br)ccc2[O-])C1 ZINC000849051880 1335058029 /nfs/dbraw/zinc/05/80/29/1335058029.db2.gz JYKGDSJSUAIDGZ-SNVBAGLBSA-N 0 3 326.238 2.911 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC2(C)C)N(C)C)cc1 ZINC001470116130 1397074562 /nfs/dbraw/zinc/07/45/62/1397074562.db2.gz QPHDLLGUPHMVQL-IAGOWNOFSA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)N(C)C)cc1 ZINC001470475237 1397091994 /nfs/dbraw/zinc/09/19/94/1397091994.db2.gz ZYUONKOVNPPBMF-LULLPPNCSA-N 0 3 344.503 2.843 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NCC2(C3CC3)CC2)N(C)C)cc1 ZINC001478268164 1397572642 /nfs/dbraw/zinc/57/26/42/1397572642.db2.gz IFUCIJRUAJHCRP-SFHVURJKSA-N 0 3 344.503 2.845 10 10 EFCEHN C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001565355436 1415394032 /nfs/dbraw/zinc/39/40/32/1415394032.db2.gz KZJSTZMQHVBASR-UWWQBHOKSA-N 0 3 332.492 2.843 10 10 EFCEHN CCC1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC001685608774 1416769126 /nfs/dbraw/zinc/76/91/26/1416769126.db2.gz GSXDGEOKNMVRFK-KRWDZBQOSA-N 0 3 332.492 2.987 10 10 EFCEHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC001687080875 1416841190 /nfs/dbraw/zinc/84/11/90/1416841190.db2.gz LPSMFWDVUUBNSG-MSOLQXFVSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccnc(C)c2)cc1C ZINC001716355960 1418796509 /nfs/dbraw/zinc/79/65/09/1418796509.db2.gz IQHWVIVLHRUHGY-PLNGDYQASA-N 0 3 339.439 2.783 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccncc3F)CC2)cc1C ZINC001716678845 1418957083 /nfs/dbraw/zinc/95/70/83/1418957083.db2.gz SISPKBQZCKEFBV-UHFFFAOYSA-N 0 3 343.402 2.590 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3CC4(CC4)C3)CC2)cc1C ZINC001716693145 1418959580 /nfs/dbraw/zinc/95/95/80/1418959580.db2.gz BYKQGSBTVVZPSX-UHFFFAOYSA-N 0 3 328.456 2.932 10 10 EFCEHN C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NC/C=C/Cl ZINC001717757218 1419537620 /nfs/dbraw/zinc/53/76/20/1419537620.db2.gz LYUABBPVGTWXNU-GQTOHGCDSA-N 0 3 337.811 2.652 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)CCc3ccoc3)CC2)cc1C ZINC001723508647 1424515013 /nfs/dbraw/zinc/51/50/13/1424515013.db2.gz NESRUCUGSUJPDW-UHFFFAOYSA-N 0 3 342.439 2.968 10 10 EFCEHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc(Br)ccc1O ZINC000804739297 713456355 /nfs/dbraw/zinc/45/63/55/713456355.db2.gz VDCYJGRALZIQEA-PHIMTYICSA-N 0 3 341.249 2.644 10 10 EFCEHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000052594768 716354974 /nfs/dbraw/zinc/35/49/74/716354974.db2.gz SUPYCXBRPFNUDA-QGZVFWFLSA-N 0 3 332.492 2.768 10 10 EFCEHN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000052594766 716354996 /nfs/dbraw/zinc/35/49/96/716354996.db2.gz SUPYCXBRPFNUDA-KRWDZBQOSA-N 0 3 332.492 2.768 10 10 EFCEHN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000177957365 718226894 /nfs/dbraw/zinc/22/68/94/718226894.db2.gz JZPMMJOEXDVVIH-MRXNPFEDSA-N 0 3 332.444 2.980 10 10 EFCEHN COC(=O)[C@@H]1CSCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840976319 719997302 /nfs/dbraw/zinc/99/73/02/719997302.db2.gz DGONKEZEGFROEA-AWFCHZOYSA-N 0 3 334.485 2.604 10 10 EFCEHN COC(=O)c1c(CNC[C@@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894204214 721198817 /nfs/dbraw/zinc/19/88/17/721198817.db2.gz JRRDJWLWQJBLPE-ZDUSSCGKSA-N 0 3 334.391 2.763 10 10 EFCEHN COC(=O)c1c(CNCCc2nccs2)c2cc(F)ccc2n1C ZINC000894211646 721258751 /nfs/dbraw/zinc/25/87/51/721258751.db2.gz RKXKAYXIIWAZLW-UHFFFAOYSA-N 0 3 347.415 2.893 10 10 EFCEHN C/C=C\C[C@@H](CO)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479750 722752116 /nfs/dbraw/zinc/75/21/16/722752116.db2.gz KDWDJHCGOPCBMH-ZFDPJTLLSA-N 0 3 334.391 2.521 10 10 EFCEHN COC(=O)c1c(CNC[C@H]2CCC=CO2)c2cc(F)ccc2n1C ZINC000894530794 722773521 /nfs/dbraw/zinc/77/35/21/722773521.db2.gz MSKXPNNLUQZGPJ-CYBMUJFWSA-N 0 3 332.375 2.886 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1[O-] ZINC000895591098 724217854 /nfs/dbraw/zinc/21/78/54/724217854.db2.gz IZTMVJOLWMLRHT-GFCCVEGCSA-N 0 3 325.792 2.588 10 10 EFCEHN C[C@@H]1CCCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895740089 724289115 /nfs/dbraw/zinc/28/91/15/724289115.db2.gz NRVCGQJRAWFXOD-LLVKDONJSA-N 0 3 334.441 2.774 10 10 EFCEHN COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H]1CCCOC1 ZINC000895854340 724353427 /nfs/dbraw/zinc/35/34/27/724353427.db2.gz KFHSYHSRALOPCJ-SMDDNHRTSA-N 0 3 329.824 2.585 10 10 EFCEHN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000151645905 725797976 /nfs/dbraw/zinc/79/79/76/725797976.db2.gz IOUAHCWWDMEXLG-AWEZNQCLSA-N 0 3 329.396 2.939 10 10 EFCEHN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000151645905 725797978 /nfs/dbraw/zinc/79/79/78/725797978.db2.gz IOUAHCWWDMEXLG-AWEZNQCLSA-N 0 3 329.396 2.939 10 10 EFCEHN COc1ccc(CNC(=O)c2ccc(NC3=NCCC3)cc2)c(O)c1 ZINC000907925876 727055587 /nfs/dbraw/zinc/05/55/87/727055587.db2.gz KGPCQSSFZAXKKY-UHFFFAOYSA-N 0 3 339.395 2.935 10 10 EFCEHN CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC12CCCCC2 ZINC000908575445 727219442 /nfs/dbraw/zinc/21/94/42/727219442.db2.gz NWYLRBKAQMDIMF-UHFFFAOYSA-N 0 3 343.431 2.940 10 10 EFCEHN Cc1cc(CC(=O)N2CC[C@H](N3CCC3)C2)c(C)n1-c1ccccc1 ZINC000912902049 727759106 /nfs/dbraw/zinc/75/91/06/727759106.db2.gz CVASUVOAONKYMS-FQEVSTJZSA-N 0 3 337.467 2.943 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc1C ZINC001569397760 1085178919 /nfs/dbraw/zinc/17/89/19/1085178919.db2.gz GAZKXLYMIOHNOE-KBPBESRZSA-N 0 3 338.398 2.643 10 10 EFCEHN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c([O-])c1 ZINC001647081245 1088853368 /nfs/dbraw/zinc/85/33/68/1088853368.db2.gz JPOXCDUDQDFJGU-SFHVURJKSA-N 0 3 341.455 2.799 10 10 EFCEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648054099 1089936358 /nfs/dbraw/zinc/93/63/58/1089936358.db2.gz OAVUYAJZAXEUGZ-VXGBXAGGSA-N 0 3 329.356 2.978 10 10 EFCEHN COCCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCOC1 ZINC000782963701 1094591800 /nfs/dbraw/zinc/59/18/00/1094591800.db2.gz SNMUEDYRPQGWDF-HNNXBMFYSA-N 0 3 337.460 2.936 10 10 EFCEHN CC(C)=CCN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268259754 1096197381 /nfs/dbraw/zinc/19/73/81/1096197381.db2.gz PZWGGKNQGZTQTA-UHFFFAOYSA-N 0 3 331.420 2.819 10 10 EFCEHN COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccccc2[O-])cc1C ZINC001268515631 1097113097 /nfs/dbraw/zinc/11/30/97/1097113097.db2.gz XKZIVJKUVNWKCN-WAYWQWQTSA-N 0 3 340.423 2.785 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2cc(C)sn2)cc1C ZINC001268533350 1097140187 /nfs/dbraw/zinc/14/01/87/1097140187.db2.gz OTWRHAZYACQQJT-PLNGDYQASA-N 0 3 345.468 2.844 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H](C)CSC)CC2)cc1C ZINC001269388526 1098104324 /nfs/dbraw/zinc/10/43/24/1098104324.db2.gz PWYCKHCJFXYKSG-AWEZNQCLSA-N 0 3 336.501 2.741 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000848512978 1101468064 /nfs/dbraw/zinc/46/80/64/1101468064.db2.gz BPSJYKNQIRCNSI-ONGXEEELSA-N 0 3 330.222 2.993 10 10 EFCEHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]Cc1ccccc1[O-])O2 ZINC000690697390 1101957529 /nfs/dbraw/zinc/95/75/29/1101957529.db2.gz UTSCUSPDFJUIFA-HNNXBMFYSA-N 0 3 348.443 2.650 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001668780163 1105370570 /nfs/dbraw/zinc/37/05/70/1105370570.db2.gz OTRGTAYVKSGYCZ-VGOKWCNXSA-N 0 3 341.455 2.828 10 10 EFCEHN CCc1nc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)co1 ZINC001668786486 1105372049 /nfs/dbraw/zinc/37/20/49/1105372049.db2.gz NDVSWHVCONRLIW-WAYWQWQTSA-N 0 3 343.427 2.630 10 10 EFCEHN COc1ccc(CN[C@H](CO)CNC(=O)C2CCCCCC2)cc1C ZINC001676511452 1106538237 /nfs/dbraw/zinc/53/82/37/1106538237.db2.gz SZXLIOVCABCGRM-SFHVURJKSA-N 0 3 348.487 2.541 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)COC(C)(C)C)CC2)cc1C ZINC001483728422 1108372880 /nfs/dbraw/zinc/37/28/80/1108372880.db2.gz MHMLNGGJGXXJEQ-UHFFFAOYSA-N 0 3 334.460 2.557 10 10 EFCEHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C ZINC001682101674 1108569293 /nfs/dbraw/zinc/56/92/93/1108569293.db2.gz ULRCUQBZBGWCDC-APWZRJJASA-N 0 3 346.519 2.776 10 10 EFCEHN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCN(CC)C1 ZINC000898674291 1109052006 /nfs/dbraw/zinc/05/20/06/1109052006.db2.gz DMPCHLICXRLVGX-LBPRGKRZSA-N 0 3 334.441 2.869 10 10 EFCEHN CN(C)c1ccc(CNCc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000055472419 214325641 /nfs/dbraw/zinc/32/56/41/214325641.db2.gz UKFNHZMQTHLEQI-UHFFFAOYSA-N 0 3 325.391 2.762 10 10 EFCEHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)n1cccn1 ZINC000069372346 215391175 /nfs/dbraw/zinc/39/11/75/215391175.db2.gz QMZULVRIGSMLCD-GJZGRUSLSA-N 0 3 332.423 2.598 10 10 EFCEHN CCOC(=O)c1csc(CCNCc2ccc3c(c2)CCO3)n1 ZINC000190348684 239907029 /nfs/dbraw/zinc/90/70/29/239907029.db2.gz JOYDJNBVCMOOIQ-UHFFFAOYSA-N 0 3 332.425 2.587 10 10 EFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813660 240064359 /nfs/dbraw/zinc/06/43/59/240064359.db2.gz WBOUHHPNBWUHLY-ZIAGYGMSSA-N 0 3 328.416 2.510 10 10 EFCEHN C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000248530531 240291976 /nfs/dbraw/zinc/29/19/76/240291976.db2.gz XMOOGNAOKSDDGE-BMGDILEWSA-N 0 3 344.430 2.817 10 10 EFCEHN C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000248715706 240294032 /nfs/dbraw/zinc/29/40/32/240294032.db2.gz DVWOWIDSHSSNOI-LSDHHAIUSA-N 0 3 332.444 2.824 10 10 EFCEHN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000248715706 240294043 /nfs/dbraw/zinc/29/40/43/240294043.db2.gz DVWOWIDSHSSNOI-LSDHHAIUSA-N 0 3 332.444 2.824 10 10 EFCEHN Cc1cc(-c2nc([C@H]3CNCCN3C)no2)c(C)n1-c1ccccc1 ZINC000263302158 240383275 /nfs/dbraw/zinc/38/32/75/240383275.db2.gz XFCHJOVPOFTZEO-QGZVFWFLSA-N 0 3 337.427 2.720 10 10 EFCEHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1Cc1ccc(F)cc1 ZINC000296270269 241081774 /nfs/dbraw/zinc/08/17/74/241081774.db2.gz CCROCXAULCWWJY-DLBZAZTESA-N 0 3 340.398 2.909 10 10 EFCEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000298961455 241165044 /nfs/dbraw/zinc/16/50/44/241165044.db2.gz XGITUVHDSIIOOW-SFHVURJKSA-N 0 3 341.455 2.707 10 10 EFCEHN Cc1cc([O-])c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1C ZINC000363625149 242279277 /nfs/dbraw/zinc/27/92/77/242279277.db2.gz SEEHKVPNCYRNMR-UHFFFAOYSA-N 0 3 326.444 2.926 10 10 EFCEHN Cc1cc(O)c(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1C ZINC000367833635 242394092 /nfs/dbraw/zinc/39/40/92/242394092.db2.gz SAXNGIUTPDZLLQ-INIZCTEOSA-N 0 3 325.474 2.798 10 10 EFCEHN [O-]c1ccccc1C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000019800170 212069900 /nfs/dbraw/zinc/06/99/00/212069900.db2.gz NRSUZDPJYSJZJP-UHFFFAOYSA-N 0 3 334.423 2.633 10 10 EFCEHN [O-]c1ccccc1C[N@@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000019800170 212069902 /nfs/dbraw/zinc/06/99/02/212069902.db2.gz NRSUZDPJYSJZJP-UHFFFAOYSA-N 0 3 334.423 2.633 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(OC)CC2)c1[O-] ZINC000012615596 211423896 /nfs/dbraw/zinc/42/38/96/211423896.db2.gz RZKZRFAKRKZDCA-UHFFFAOYSA-N 0 3 329.396 2.943 10 10 EFCEHN Cn1c(CCC[NH2+]Cc2cc3c(cc2[O-])OCO3)nc2ccccc21 ZINC000124399337 473241670 /nfs/dbraw/zinc/24/16/70/473241670.db2.gz GFTJFMPBVLGFRH-UHFFFAOYSA-N 0 3 339.395 2.730 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c([O-])c1 ZINC000184992242 473295010 /nfs/dbraw/zinc/29/50/10/473295010.db2.gz QXITWZQGZHGGRY-LPHOPBHVSA-N 0 3 340.467 2.770 10 10 EFCEHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000113359197 473387331 /nfs/dbraw/zinc/38/73/31/473387331.db2.gz YIRJLSSTPOFQNF-MRXNPFEDSA-N 0 3 332.835 2.590 10 10 EFCEHN OCC1CCN(c2ccc(CNCc3cccc(O)c3)cc2)CC1 ZINC000067247489 472010350 /nfs/dbraw/zinc/01/03/50/472010350.db2.gz XGQBSVGHCUQDDT-UHFFFAOYSA-N 0 3 326.440 2.891 10 10 EFCEHN O=C1NCCN1C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000054566707 472097766 /nfs/dbraw/zinc/09/77/66/472097766.db2.gz DYBHYCXWVJRPHJ-UHFFFAOYSA-N 0 3 325.412 2.535 10 10 EFCEHN Cc1cnn([C@H](C)[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459649 472349209 /nfs/dbraw/zinc/34/92/09/472349209.db2.gz IIONPCPZRZFWPS-JKSUJKDBSA-N 0 3 346.450 2.907 10 10 EFCEHN COc1cc(Br)cc(C[NH2+]CCc2ccccn2)c1[O-] ZINC000069656703 472390066 /nfs/dbraw/zinc/39/00/66/472390066.db2.gz PPXIGNHQVPONBD-UHFFFAOYSA-N 0 3 337.217 2.891 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000120248811 472656501 /nfs/dbraw/zinc/65/65/01/472656501.db2.gz NFHMDTZHLSEWPO-MRXNPFEDSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000120248811 472656507 /nfs/dbraw/zinc/65/65/07/472656507.db2.gz NFHMDTZHLSEWPO-MRXNPFEDSA-N 0 3 342.443 2.682 10 10 EFCEHN Cc1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000091676139 472791517 /nfs/dbraw/zinc/79/15/17/472791517.db2.gz FCKXAGKALGBYHW-UHFFFAOYSA-N 0 3 337.471 2.929 10 10 EFCEHN Cc1ccc(O)c(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000121298235 472832476 /nfs/dbraw/zinc/83/24/76/472832476.db2.gz HIAOYGLXALJCSN-UHFFFAOYSA-N 0 3 327.428 2.564 10 10 EFCEHN COc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(OC)c1 ZINC000048747415 472907599 /nfs/dbraw/zinc/90/75/99/472907599.db2.gz XNUFAETZADELDB-UHFFFAOYSA-N 0 3 342.439 2.830 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000092814234 472990710 /nfs/dbraw/zinc/99/07/10/472990710.db2.gz AVKRACKTYDOCFL-CQSZACIVSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000092814234 472990715 /nfs/dbraw/zinc/99/07/15/472990715.db2.gz AVKRACKTYDOCFL-CQSZACIVSA-N 0 3 331.416 2.937 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000092814234 472990720 /nfs/dbraw/zinc/99/07/20/472990720.db2.gz AVKRACKTYDOCFL-CQSZACIVSA-N 0 3 331.416 2.937 10 10 EFCEHN CCc1nccn1[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000122940004 473077102 /nfs/dbraw/zinc/07/71/02/473077102.db2.gz ITWRZAXDIHJMTA-AWEZNQCLSA-N 0 3 329.400 2.717 10 10 EFCEHN c1n[nH]cc1[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000093438147 473108484 /nfs/dbraw/zinc/10/84/84/473108484.db2.gz RDSJIJBFZUEQJE-LJQANCHMSA-N 0 3 326.444 2.974 10 10 EFCEHN Cc1cc(Br)cc(C[NH2+]CC2(C)OCCCO2)c1[O-] ZINC000190839754 473406628 /nfs/dbraw/zinc/40/66/28/473406628.db2.gz BLNDVNXVZYELEM-UHFFFAOYSA-N 0 3 330.222 2.706 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2[O-])ncn1 ZINC000185992275 473566681 /nfs/dbraw/zinc/56/66/81/473566681.db2.gz ZBWBFHOEZMRWRY-GJZGRUSLSA-N 0 3 341.459 2.852 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])ncn1 ZINC000185992783 473567134 /nfs/dbraw/zinc/56/71/34/473567134.db2.gz CHAABBZZFHZYMI-JSGCOSHPSA-N 0 3 345.422 2.683 10 10 EFCEHN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)cc2[O-])ncn1 ZINC000185992733 473567230 /nfs/dbraw/zinc/56/72/30/473567230.db2.gz NRVDRJVGNNBAOU-HUUCEWRRSA-N 0 3 341.459 2.852 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031592 473575246 /nfs/dbraw/zinc/57/52/46/473575246.db2.gz FIMZFXDZVKRFJR-LBPRGKRZSA-N 0 3 334.441 2.933 10 10 EFCEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153702277 473637850 /nfs/dbraw/zinc/63/78/50/473637850.db2.gz OQYHIYPQOKKKFR-GOSISDBHSA-N 0 3 344.503 2.838 10 10 EFCEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153702167 473637884 /nfs/dbraw/zinc/63/78/84/473637884.db2.gz OQYHIYPQOKKKFR-SFHVURJKSA-N 0 3 344.503 2.838 10 10 EFCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2=O)n(C)n1 ZINC000186328023 473650135 /nfs/dbraw/zinc/65/01/35/473650135.db2.gz PLIOZKMVQKYTKQ-ZBFHGGJFSA-N 0 3 342.443 2.589 10 10 EFCEHN Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000180027112 473780235 /nfs/dbraw/zinc/78/02/35/473780235.db2.gz CBEHUSLNGLFKAC-UHFFFAOYSA-N 0 3 328.412 2.996 10 10 EFCEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493492 473890477 /nfs/dbraw/zinc/89/04/77/473890477.db2.gz CIGZJKBXTFCUFH-WBVHZDCISA-N 0 3 335.467 2.797 10 10 EFCEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493453 473890948 /nfs/dbraw/zinc/89/09/48/473890948.db2.gz CIGZJKBXTFCUFH-NVXWUHKLSA-N 0 3 335.467 2.797 10 10 EFCEHN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ncccn1 ZINC000282338895 474028296 /nfs/dbraw/zinc/02/82/96/474028296.db2.gz BSMGDLFCLSOZGP-AWEZNQCLSA-N 0 3 328.416 2.812 10 10 EFCEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1[O-] ZINC000188547350 474124592 /nfs/dbraw/zinc/12/45/92/474124592.db2.gz CPEFQDNVKWSPQQ-HZPDHXFCSA-N 0 3 342.443 2.845 10 10 EFCEHN COC(=O)/C=C/c1ccc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000265198879 474171185 /nfs/dbraw/zinc/17/11/85/474171185.db2.gz JCDOTRPKNOMIDP-HEWZJLJBSA-N 0 3 347.415 2.559 10 10 EFCEHN CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccc2[O-])ncn1 ZINC000183596723 474396706 /nfs/dbraw/zinc/39/67/06/474396706.db2.gz SCLGBUYYILVNND-KGLIPLIRSA-N 0 3 327.432 2.544 10 10 EFCEHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000284073433 474564332 /nfs/dbraw/zinc/56/43/32/474564332.db2.gz QPTHNIQMYVAPIJ-MJGOQNOKSA-N 0 3 334.504 2.925 10 10 EFCEHN COc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000290279810 474565851 /nfs/dbraw/zinc/56/58/51/474565851.db2.gz YZVSVJSJVGUWDX-JSGCOSHPSA-N 0 3 336.432 2.888 10 10 EFCEHN CCOC(=O)c1csc(CCNCc2ccc(N(C)C)cc2)n1 ZINC000190342756 474581840 /nfs/dbraw/zinc/58/18/40/474581840.db2.gz RTQFOIXPUPSREP-UHFFFAOYSA-N 0 3 333.457 2.718 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291025627 474590966 /nfs/dbraw/zinc/59/09/66/474590966.db2.gz ASODTUZJHFILMI-FQEVSTJZSA-N 0 3 327.424 2.927 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291025627 474590971 /nfs/dbraw/zinc/59/09/71/474590971.db2.gz ASODTUZJHFILMI-FQEVSTJZSA-N 0 3 327.424 2.927 10 10 EFCEHN CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])[C@H](O)C(F)F ZINC000295111208 475103972 /nfs/dbraw/zinc/10/39/72/475103972.db2.gz VATRAAOQWVWMFN-JQWIXIFHSA-N 0 3 338.192 2.957 10 10 EFCEHN COc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1[O-] ZINC000374266295 476465229 /nfs/dbraw/zinc/46/52/29/476465229.db2.gz VFASSMAORNOJCN-YOEHRIQHSA-N 0 3 340.423 2.680 10 10 EFCEHN COc1cccc(CN[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1O ZINC000374266295 476465237 /nfs/dbraw/zinc/46/52/37/476465237.db2.gz VFASSMAORNOJCN-YOEHRIQHSA-N 0 3 340.423 2.680 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)OCO2 ZINC000374472510 476483423 /nfs/dbraw/zinc/48/34/23/476483423.db2.gz QEXSCIPXXFWDAB-LIRRHRJNSA-N 0 3 327.380 2.988 10 10 EFCEHN [O-]c1cc2c(cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)OCO2 ZINC000374472509 476483653 /nfs/dbraw/zinc/48/36/53/476483653.db2.gz QEXSCIPXXFWDAB-KUHUBIRLSA-N 0 3 327.380 2.988 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000370042086 476645685 /nfs/dbraw/zinc/64/56/85/476645685.db2.gz ILECYAJXKRYLCK-UHFFFAOYSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000370042086 476645690 /nfs/dbraw/zinc/64/56/90/476645690.db2.gz ILECYAJXKRYLCK-UHFFFAOYSA-N 0 3 342.443 2.682 10 10 EFCEHN c1nc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c[nH]1 ZINC000371333599 477251067 /nfs/dbraw/zinc/25/10/67/477251067.db2.gz DTUVIIQRGYNNIC-UHFFFAOYSA-N 0 3 326.444 2.626 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000376797129 477506031 /nfs/dbraw/zinc/50/60/31/477506031.db2.gz TWYFCPNFFNGSCZ-GJZGRUSLSA-N 0 3 346.452 2.506 10 10 EFCEHN Cc1cc(O)c(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1C ZINC000367833636 477709861 /nfs/dbraw/zinc/70/98/61/477709861.db2.gz SAXNGIUTPDZLLQ-MRXNPFEDSA-N 0 3 325.474 2.798 10 10 EFCEHN [O-]c1ccc(Cl)c(F)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248497 477880145 /nfs/dbraw/zinc/88/01/45/477880145.db2.gz LFDCZCHDYSJCIY-ZDUSSCGKSA-N 0 3 342.842 2.775 10 10 EFCEHN COc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)c(O)c1 ZINC000528145867 478657099 /nfs/dbraw/zinc/65/70/99/478657099.db2.gz FNVHRMOFWMEIIY-INIZCTEOSA-N 0 3 347.459 2.607 10 10 EFCEHN COc1cc([O-])c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1OC ZINC000529638063 479232176 /nfs/dbraw/zinc/23/21/76/479232176.db2.gz XRKYMMAQAOAYBI-IBGZPJMESA-N 0 3 345.395 2.729 10 10 EFCEHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1NCc2ccccc21 ZINC000659284377 481334837 /nfs/dbraw/zinc/33/48/37/481334837.db2.gz HRIXQBCGLBVQSO-KRWDZBQOSA-N 0 3 337.423 2.713 10 10 EFCEHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1NCc2ccccc21 ZINC000659284378 481334891 /nfs/dbraw/zinc/33/48/91/481334891.db2.gz HRIXQBCGLBVQSO-QGZVFWFLSA-N 0 3 337.423 2.713 10 10 EFCEHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000174447540 533891997 /nfs/dbraw/zinc/89/19/97/533891997.db2.gz CQXNVTDWYSMAFR-CRAIPNDOSA-N 0 3 344.503 2.693 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000263655623 535751520 /nfs/dbraw/zinc/75/15/20/535751520.db2.gz FQYIQQMQBNSRRQ-OAHLLOKOSA-N 0 3 333.403 2.871 10 10 EFCEHN CCSCCNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000761520227 576174196 /nfs/dbraw/zinc/17/41/96/576174196.db2.gz MTJBLHRGDWTCCO-UHFFFAOYSA-N 0 3 325.497 2.810 10 10 EFCEHN CC(=O)c1ccc2c(c1)CCN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000755774853 575631763 /nfs/dbraw/zinc/63/17/63/575631763.db2.gz WNNQCOAZVMPJEC-UHFFFAOYSA-N 0 3 339.391 2.924 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000756731266 575781925 /nfs/dbraw/zinc/78/19/25/575781925.db2.gz FXQVXNRABVEEQR-UALQAHIBSA-N 0 3 328.456 2.931 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000756731265 575782043 /nfs/dbraw/zinc/78/20/43/575782043.db2.gz FXQVXNRABVEEQR-RGFKIIKPSA-N 0 3 328.456 2.931 10 10 EFCEHN C[C@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2[O-] ZINC000756778953 575786238 /nfs/dbraw/zinc/78/62/38/575786238.db2.gz HCDQSTXLHBRVFS-FZMZJTMJSA-N 0 3 341.448 2.884 10 10 EFCEHN CCN1C[C@H](C)N(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000765643703 577062240 /nfs/dbraw/zinc/06/22/40/577062240.db2.gz SNQJEPCXCNEYKP-QPJKDDTCSA-N 0 3 347.415 2.700 10 10 EFCEHN COc1cccc(N2C[C@@H](NCc3ccc(N(C)C)cc3)CC2=O)c1 ZINC000725853336 577251126 /nfs/dbraw/zinc/25/11/26/577251126.db2.gz OQZSNXMSXQMWBR-INIZCTEOSA-N 0 3 339.439 2.656 10 10 EFCEHN CCOc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c([O-])c1 ZINC000768855398 577310542 /nfs/dbraw/zinc/31/05/42/577310542.db2.gz DBFPISKMRVKQJT-UHFFFAOYSA-N 0 3 342.443 2.708 10 10 EFCEHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000769225723 577345702 /nfs/dbraw/zinc/34/57/02/577345702.db2.gz PKRITRQBIZIPQS-AWEZNQCLSA-N 0 3 334.460 2.774 10 10 EFCEHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000769405394 577360116 /nfs/dbraw/zinc/36/01/16/577360116.db2.gz UYHOEAFXSNFFMI-MRXNPFEDSA-N 0 3 333.451 2.726 10 10 EFCEHN Fc1cc(CN2CCC[C@H]3COCC[C@@H]32)ccc1N1CCOCC1 ZINC000770286541 577410027 /nfs/dbraw/zinc/41/00/27/577410027.db2.gz QQOMALAWEQGNHM-WMZOPIPTSA-N 0 3 334.435 2.663 10 10 EFCEHN CCN(C)c1ccc(CN2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000773757394 581462055 /nfs/dbraw/zinc/46/20/55/581462055.db2.gz YQHDTHIPBTYXRD-HXUWFJFHSA-N 0 3 331.504 2.829 10 10 EFCEHN CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000301358925 1249744558 /nfs/dbraw/zinc/74/45/58/1249744558.db2.gz DYJGRFBLICJQBY-CQSZACIVSA-N 0 3 336.432 2.977 10 10 EFCEHN C[C@@H](NCc1cnn2c1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076775 1250265210 /nfs/dbraw/zinc/26/52/10/1250265210.db2.gz CHVATOCKCQOSAG-OAHLLOKOSA-N 0 3 326.444 2.517 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000850346381 1250441194 /nfs/dbraw/zinc/44/11/94/1250441194.db2.gz TUSYMLIRFLHCBF-HNNXBMFYSA-N 0 3 327.384 2.972 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3cccc4c3OCCO4)C2)cc1 ZINC000850345840 1250442616 /nfs/dbraw/zinc/44/26/16/1250442616.db2.gz MBXNRTTXROEHHC-MRXNPFEDSA-N 0 3 340.423 2.835 10 10 EFCEHN CCOc1cccc(CNCc2cnc(C(F)(F)F)nc2)c1O ZINC000850344903 1250442863 /nfs/dbraw/zinc/44/28/63/1250442863.db2.gz BFCOSOQQVOUAHP-UHFFFAOYSA-N 0 3 327.306 2.890 10 10 EFCEHN CCS(=O)(=O)C1(CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC000850398887 1250467053 /nfs/dbraw/zinc/46/70/53/1250467053.db2.gz SSJYMSLFCUACKA-UHFFFAOYSA-N 0 3 336.501 2.734 10 10 EFCEHN Cc1nc(F)ccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406464 1250469677 /nfs/dbraw/zinc/46/96/77/1250469677.db2.gz HIAAPAYBAAKHIN-UHFFFAOYSA-N 0 3 329.419 2.780 10 10 EFCEHN Cc1cc(C)c([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000850487059 1250504141 /nfs/dbraw/zinc/50/41/41/1250504141.db2.gz XWESVGLQEGRWAU-AWEZNQCLSA-N 0 3 325.474 2.875 10 10 EFCEHN COc1ccc(O)c([C@H](C)N[C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500259 1250510117 /nfs/dbraw/zinc/51/01/17/1250510117.db2.gz FAENPRNKYPNFTA-LRDDRELGSA-N 0 3 326.396 2.639 10 10 EFCEHN C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(F)ccc1[O-] ZINC000850557054 1250534867 /nfs/dbraw/zinc/53/48/67/1250534867.db2.gz KKYFBEDMNSRKDT-MORSLUCNSA-N 0 3 334.435 2.825 10 10 EFCEHN C[C@H](NCc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593039 1257500952 /nfs/dbraw/zinc/50/09/52/1257500952.db2.gz PGMDGJWQFNFYTC-HNNXBMFYSA-N 0 3 332.423 2.540 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCN2C)c1[O-] ZINC000903317450 1260133374 /nfs/dbraw/zinc/13/33/74/1260133374.db2.gz TYODKBHZAAXIGJ-GXSJLCMTSA-N 0 3 329.238 2.518 10 10 EFCEHN CN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000921677616 1260276073 /nfs/dbraw/zinc/27/60/73/1260276073.db2.gz FQUYFIQOPGTNPV-SJLPKXTDSA-N 0 3 343.402 2.776 10 10 EFCEHN [O-]c1ccc(Br)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843128404 1261188292 /nfs/dbraw/zinc/18/82/92/1261188292.db2.gz LCNFMRYOIGXFAH-AWEZNQCLSA-N 0 3 325.250 2.919 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000733613389 1265316965 /nfs/dbraw/zinc/31/69/65/1265316965.db2.gz QOCDSCMJGXXCED-RTBURBONSA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000733613389 1265316971 /nfs/dbraw/zinc/31/69/71/1265316971.db2.gz QOCDSCMJGXXCED-RTBURBONSA-N 0 3 349.471 2.693 10 10 EFCEHN C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130400 1278423768 /nfs/dbraw/zinc/42/37/68/1278423768.db2.gz XJOYTEHXFQERTC-BLLLJJGKSA-N 0 3 346.393 2.743 10 10 EFCEHN COCC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000787335504 1275748801 /nfs/dbraw/zinc/74/88/01/1275748801.db2.gz SWMVMQIWRXGXBB-CQSZACIVSA-N 0 3 344.249 2.700 10 10 EFCEHN COCC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000787335504 1275748806 /nfs/dbraw/zinc/74/88/06/1275748806.db2.gz SWMVMQIWRXGXBB-CQSZACIVSA-N 0 3 344.249 2.700 10 10 EFCEHN C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969703 1276411949 /nfs/dbraw/zinc/41/19/49/1276411949.db2.gz YFOFFGCUZGKGNC-RVBZMBCESA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1[O-] ZINC000817980984 1276421919 /nfs/dbraw/zinc/42/19/19/1276421919.db2.gz ORUSBTSSKQNTIH-PELKAZGASA-N 0 3 335.192 2.803 10 10 EFCEHN COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(C)ccc3[O-])C2)cc1 ZINC000818222200 1276493378 /nfs/dbraw/zinc/49/33/78/1276493378.db2.gz VJGQGIJGXFNLDI-OAHLLOKOSA-N 0 3 327.428 2.720 10 10 EFCEHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000791004531 1277901842 /nfs/dbraw/zinc/90/18/42/1277901842.db2.gz LREBKTZZAIJITD-CYBMUJFWSA-N 0 3 337.366 2.620 10 10 EFCEHN CCOC(=O)C1(COC)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105545 1287327405 /nfs/dbraw/zinc/32/74/05/1287327405.db2.gz GCTIHGZFCGNFSN-UHFFFAOYSA-N 0 3 348.487 2.853 10 10 EFCEHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCc2ccccc21 ZINC000844742229 1279210981 /nfs/dbraw/zinc/21/09/81/1279210981.db2.gz NTKMLANUTDKECB-ORAYPTAESA-N 0 3 325.408 2.980 10 10 EFCEHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCc2ccccc21 ZINC000844742229 1279210987 /nfs/dbraw/zinc/21/09/87/1279210987.db2.gz NTKMLANUTDKECB-ORAYPTAESA-N 0 3 325.408 2.980 10 10 EFCEHN Fc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC000846116808 1280024800 /nfs/dbraw/zinc/02/48/00/1280024800.db2.gz KBEPVSVMYHWVJX-INIZCTEOSA-N 0 3 326.362 2.893 10 10 EFCEHN Cc1cc(N(C)C)ccc1CNCc1ccc(-c2nncnn2)cc1 ZINC000846102701 1280035934 /nfs/dbraw/zinc/03/59/34/1280035934.db2.gz IVBKONSPQMCDAQ-UHFFFAOYSA-N 0 3 334.427 2.598 10 10 EFCEHN C[C@H](NCc1ccc(-c2nncnn2)cc1)c1ccc(N(C)C)cc1 ZINC000846207722 1280056057 /nfs/dbraw/zinc/05/60/57/1280056057.db2.gz CDQOTINWOSYYRE-AWEZNQCLSA-N 0 3 334.427 2.850 10 10 EFCEHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000808718116 1281873015 /nfs/dbraw/zinc/87/30/15/1281873015.db2.gz LZTHTSPZUCQCRE-WDEREUQCSA-N 0 3 331.865 2.970 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810347973 1283169213 /nfs/dbraw/zinc/16/92/13/1283169213.db2.gz OVVXSSVTRRYCCB-KZULUSFZSA-N 0 3 338.423 2.791 10 10 EFCEHN COc1cc(Cl)cc(CNCc2c3c(nn2C)CCCC3)c1O ZINC000812773688 1285409003 /nfs/dbraw/zinc/40/90/03/1285409003.db2.gz MOTFILAWROBKPK-UHFFFAOYSA-N 0 3 335.835 2.956 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1[O-] ZINC000812773688 1285409015 /nfs/dbraw/zinc/40/90/15/1285409015.db2.gz MOTFILAWROBKPK-UHFFFAOYSA-N 0 3 335.835 2.956 10 10 EFCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000808718113 1286952107 /nfs/dbraw/zinc/95/21/07/1286952107.db2.gz LZTHTSPZUCQCRE-GHMZBOCLSA-N 0 3 331.865 2.970 10 10 EFCEHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1cccc(O)c1O ZINC001176566457 1288042451 /nfs/dbraw/zinc/04/24/51/1288042451.db2.gz XHJRYNGQWFMDTB-UHFFFAOYSA-N 0 3 340.379 2.836 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000816667885 1288248991 /nfs/dbraw/zinc/24/89/91/1288248991.db2.gz YRUKGWAQUPRHRL-IAGOWNOFSA-N 0 3 325.836 2.764 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000816667886 1288249051 /nfs/dbraw/zinc/24/90/51/1288249051.db2.gz YRUKGWAQUPRHRL-IRXDYDNUSA-N 0 3 325.836 2.764 10 10 EFCEHN CN(C)c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000824517439 1289678839 /nfs/dbraw/zinc/67/88/39/1289678839.db2.gz VABIQBGATJEJMH-CQSZACIVSA-N 0 3 348.443 2.552 10 10 EFCEHN COc1c([O-])c(CNCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774984134 1290887128 /nfs/dbraw/zinc/88/71/28/1290887128.db2.gz RNCAZEHYZPINKU-UHFFFAOYSA-N 0 3 337.420 2.663 10 10 EFCEHN COc1c([O-])c(CNCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774984134 1290887136 /nfs/dbraw/zinc/88/71/36/1290887136.db2.gz RNCAZEHYZPINKU-UHFFFAOYSA-N 0 3 337.420 2.663 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CCCO1 ZINC000249271507 1291333622 /nfs/dbraw/zinc/33/36/22/1291333622.db2.gz JFKCHRIWHWFGFU-UONOGXRCSA-N 0 3 333.350 2.687 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CCCO1 ZINC000249271507 1291333631 /nfs/dbraw/zinc/33/36/31/1291333631.db2.gz JFKCHRIWHWFGFU-UONOGXRCSA-N 0 3 333.350 2.687 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c([O-])c1 ZINC000775347729 1291989493 /nfs/dbraw/zinc/98/94/93/1291989493.db2.gz QPFMRWNUFLAELX-ZFWWWQNUSA-N 0 3 336.432 2.747 10 10 EFCEHN Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1[O-] ZINC000775663915 1293960255 /nfs/dbraw/zinc/96/02/55/1293960255.db2.gz HJYBMDVFFQISMV-CYBMUJFWSA-N 0 3 341.249 2.693 10 10 EFCEHN Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1[O-] ZINC000775663915 1293960259 /nfs/dbraw/zinc/96/02/59/1293960259.db2.gz HJYBMDVFFQISMV-CYBMUJFWSA-N 0 3 341.249 2.693 10 10 EFCEHN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000775835118 1294965510 /nfs/dbraw/zinc/96/55/10/1294965510.db2.gz FKIAAYPVSOVLHB-SNRMKQJTSA-N 0 3 345.487 2.573 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013183 1295660897 /nfs/dbraw/zinc/66/08/97/1295660897.db2.gz LEFCRWYLUVRAGM-LSDHHAIUSA-N 0 3 341.835 2.897 10 10 EFCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1[O-] ZINC000776013183 1295660909 /nfs/dbraw/zinc/66/09/09/1295660909.db2.gz LEFCRWYLUVRAGM-LSDHHAIUSA-N 0 3 341.835 2.897 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2scnc2C)cc1C ZINC001273872478 1296532654 /nfs/dbraw/zinc/53/26/54/1296532654.db2.gz YZVNDVGLVLJVOR-PLNGDYQASA-N 0 3 345.468 2.844 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC4=C(CCC(=O)N4)C3)c2c1 ZINC000853519495 1300145610 /nfs/dbraw/zinc/14/56/10/1300145610.db2.gz DCTLHRLDSQPCKK-UHFFFAOYSA-N 0 3 338.407 2.924 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCC4=C(CCC(=O)N4)C3)c2c1 ZINC000853519495 1300145615 /nfs/dbraw/zinc/14/56/15/1300145615.db2.gz DCTLHRLDSQPCKK-UHFFFAOYSA-N 0 3 338.407 2.924 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1[O-] ZINC000853566212 1300170015 /nfs/dbraw/zinc/17/00/15/1300170015.db2.gz NBRAWLNCHIWSML-VLIAUNLRSA-N 0 3 341.407 2.800 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1[O-] ZINC000853566212 1300170018 /nfs/dbraw/zinc/17/00/18/1300170018.db2.gz NBRAWLNCHIWSML-VLIAUNLRSA-N 0 3 341.407 2.800 10 10 EFCEHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)N3CCCCCC3)C2)cc1 ZINC000855229638 1300850666 /nfs/dbraw/zinc/85/06/66/1300850666.db2.gz BMQFORKZPFNVQD-IAGOWNOFSA-N 0 3 345.487 2.655 10 10 EFCEHN CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCN(C)C1 ZINC000855360748 1300930483 /nfs/dbraw/zinc/93/04/83/1300930483.db2.gz IQZIISNGRKXEAW-MRXNPFEDSA-N 0 3 326.444 2.655 10 10 EFCEHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000862240840 1302319470 /nfs/dbraw/zinc/31/94/70/1302319470.db2.gz PJCURGSVQFWFFP-LBPRGKRZSA-N 0 3 325.250 2.823 10 10 EFCEHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000862240840 1302319483 /nfs/dbraw/zinc/31/94/83/1302319483.db2.gz PJCURGSVQFWFFP-LBPRGKRZSA-N 0 3 325.250 2.823 10 10 EFCEHN Cc1c(CNCc2ccc(N3CCC(O)CC3)cc2)ccnc1F ZINC000862417451 1302374085 /nfs/dbraw/zinc/37/40/85/1302374085.db2.gz CVNRJKUIPFHWLK-UHFFFAOYSA-N 0 3 329.419 2.780 10 10 EFCEHN Oc1ccc(-c2ccccc2)cc1CN1CCN(c2nccnn2)CC1 ZINC000862436216 1302384748 /nfs/dbraw/zinc/38/47/48/1302384748.db2.gz AMMTUJXEBSNJMW-UHFFFAOYSA-N 0 3 347.422 2.566 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3cc4c(cc[nH]c4=O)o3)C2)cc1 ZINC000865622628 1303337249 /nfs/dbraw/zinc/33/72/49/1303337249.db2.gz ZLVBROXSRXIYEC-ZDUSSCGKSA-N 0 3 339.395 2.911 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC/C=C\C2CC2)N(C)C)cc1 ZINC001229247470 1312068049 /nfs/dbraw/zinc/06/80/49/1312068049.db2.gz AAXIUERZIWPCNE-OOFWQKGWSA-N 0 3 330.476 2.621 10 10 EFCEHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(C)CC1 ZINC001251400364 1315345920 /nfs/dbraw/zinc/34/59/20/1315345920.db2.gz HUIAOSUQXQDXCM-WMLDXEAASA-N 0 3 332.492 2.843 10 10 EFCEHN CN1CCN(c2ccc(CN3CC[C@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514412 1316416404 /nfs/dbraw/zinc/41/64/04/1316416404.db2.gz AQMCREHWWVMQGM-KRWDZBQOSA-N 0 3 339.405 2.809 10 10 EFCEHN CC(C)(C)OC(=O)N1CCCC[C@H](NCc2ccc(O)c(O)c2)C1 ZINC000382749345 1316556850 /nfs/dbraw/zinc/55/68/50/1316556850.db2.gz PLYAZQDSYRZCRE-AWEZNQCLSA-N 0 3 336.432 2.977 10 10 EFCEHN CC1CCN(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001290374852 1321905562 /nfs/dbraw/zinc/90/55/62/1321905562.db2.gz PDVXEAUABHVCBV-UHFFFAOYSA-N 0 3 329.488 2.977 10 10 EFCEHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297465097 1323225927 /nfs/dbraw/zinc/22/59/27/1323225927.db2.gz ANPSYAQTRBOKBX-CQSZACIVSA-N 0 3 331.420 2.699 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C[C@H](C)SC)CC2)cc1C ZINC001323423818 1329542695 /nfs/dbraw/zinc/54/26/95/1329542695.db2.gz KWCYLWIVFPWXIY-AWEZNQCLSA-N 0 3 336.501 2.884 10 10 EFCEHN CCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373375 1330588490 /nfs/dbraw/zinc/58/84/90/1330588490.db2.gz JVESYRPLQVCAEQ-VQIMIIECSA-N 0 3 345.487 2.655 10 10 EFCEHN COc1ccc(N2CC[C@H](NCc3cccnc3N(C)C)C2)cc1 ZINC001328696714 1330616945 /nfs/dbraw/zinc/61/69/45/1330616945.db2.gz NGWHGBVNIRGDTI-INIZCTEOSA-N 0 3 326.444 2.525 10 10 EFCEHN CC(C)(C)[C@@H](CNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332898214 1331036390 /nfs/dbraw/zinc/03/63/90/1331036390.db2.gz HNHHOWJBJMFZDR-CYBMUJFWSA-N 0 3 337.399 2.553 10 10 EFCEHN CN1c2ccccc2C[C@@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001347357390 1332737492 /nfs/dbraw/zinc/73/74/92/1332737492.db2.gz QXWNFNJEPKLSQI-LJQANCHMSA-N 0 3 335.451 2.964 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)NCc2ccnn2C)c1O ZINC000848518637 1334770737 /nfs/dbraw/zinc/77/07/37/1334770737.db2.gz LZEVSOYBJQGUOW-SECBINFHSA-N 0 3 340.221 2.748 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C2CCOCC2)c1[O-] ZINC000848522003 1334771460 /nfs/dbraw/zinc/77/14/60/1334771460.db2.gz TWOVGAOOOKOPOI-VIFPVBQESA-N 0 3 330.222 2.993 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1[O-] ZINC000848526546 1334775599 /nfs/dbraw/zinc/77/55/99/1334775599.db2.gz AWGRHNOFLARXKM-PWSUYJOCSA-N 0 3 343.265 2.908 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C(C)C)c1[O-] ZINC000848530784 1334777519 /nfs/dbraw/zinc/77/75/19/1334777519.db2.gz KHRKDEMJFAMACO-CABZTGNLSA-N 0 3 332.238 2.831 10 10 EFCEHN C[C@@H](NCc1cnc(Cl)n1C)c1ccc(N2CCOCC2)cc1 ZINC000848531700 1334778112 /nfs/dbraw/zinc/77/81/12/1334778112.db2.gz RZLSLXSGKGMPDH-CYBMUJFWSA-N 0 3 334.851 2.761 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000848532607 1334780148 /nfs/dbraw/zinc/78/01/48/1334780148.db2.gz JMQJNTWUPPUNDI-JBLDHEPKSA-N 0 3 342.233 2.751 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCO2)c1[O-] ZINC000848535977 1334781169 /nfs/dbraw/zinc/78/11/69/1334781169.db2.gz IOXIKSVSRKTIFW-VIFPVBQESA-N 0 3 346.221 2.577 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC2)c1[O-] ZINC000848536968 1334782772 /nfs/dbraw/zinc/78/27/72/1334782772.db2.gz YQMGFNWJSUMGGD-SNVBAGLBSA-N 0 3 329.238 2.520 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000848536632 1334783476 /nfs/dbraw/zinc/78/34/76/1334783476.db2.gz SAOPGQWODPARAW-BXKDBHETSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1[O-] ZINC000848541656 1334785412 /nfs/dbraw/zinc/78/54/12/1334785412.db2.gz SJGZPYIURVQLMQ-BDAKNGLRSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CC2)c1[O-] ZINC000848552965 1334791129 /nfs/dbraw/zinc/79/11/29/1334791129.db2.gz GXCYMDRPROFQFO-JTQLQIEISA-N 0 3 343.265 2.908 10 10 EFCEHN CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])[C@@H](C)O ZINC000848553888 1334791685 /nfs/dbraw/zinc/79/16/85/1334791685.db2.gz OHFWGRIRNFZDLE-LNLATYFQSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CCF)c1[O-] ZINC000848555350 1334791917 /nfs/dbraw/zinc/79/19/17/1334791917.db2.gz AKOQOTRDPBANGC-SCZZXKLOSA-N 0 3 336.201 2.534 10 10 EFCEHN CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])[C@H](C)O ZINC000848553886 1334792118 /nfs/dbraw/zinc/79/21/18/1334792118.db2.gz OHFWGRIRNFZDLE-AUTRQRHGSA-N 0 3 332.238 2.973 10 10 EFCEHN C[C@H]1CCCN(C(=[NH2+])NCc2cc(Br)ccc2[O-])C1 ZINC000849051879 1335058361 /nfs/dbraw/zinc/05/83/61/1335058361.db2.gz JYKGDSJSUAIDGZ-JTQLQIEISA-N 0 3 326.238 2.911 10 10 EFCEHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1cc(O)ccc1O ZINC001455356580 1394593770 /nfs/dbraw/zinc/59/37/70/1394593770.db2.gz JNWYUZSYDBEEOP-UHFFFAOYSA-N 0 3 340.379 2.836 10 10 EFCEHN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCCN(C)C1 ZINC001464984244 1396637314 /nfs/dbraw/zinc/63/73/14/1396637314.db2.gz ZTDRRCJIHNTQJA-KRWDZBQOSA-N 0 3 339.439 2.731 10 10 EFCEHN CN(C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001467488138 1396861164 /nfs/dbraw/zinc/86/11/64/1396861164.db2.gz VECZMLSCCREPSQ-OAHLLOKOSA-N 0 3 348.830 2.713 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccns3)CC2)cc1C ZINC001499241343 1402535083 /nfs/dbraw/zinc/53/50/83/1402535083.db2.gz XWXWWIRTSKLZHI-UHFFFAOYSA-N 0 3 331.441 2.512 10 10 EFCEHN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCN(C)C3)c2C)cc1 ZINC001565667591 1415409117 /nfs/dbraw/zinc/40/91/17/1415409117.db2.gz JCZNJFDNNJAYJU-INIZCTEOSA-N 0 3 341.455 2.927 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)NC2(C3(C)CC3)CC2)N(C)C)cc1 ZINC001684608023 1416724501 /nfs/dbraw/zinc/72/45/01/1416724501.db2.gz YVTYKIZTLSKLSJ-KRWDZBQOSA-N 0 3 344.503 2.987 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3c[nH]cc3C)CC2)cc1C ZINC001699671952 1417445369 /nfs/dbraw/zinc/44/53/69/1417445369.db2.gz LYFBAAZODMUPGN-UHFFFAOYSA-N 0 3 327.428 2.692 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001715862392 1418692640 /nfs/dbraw/zinc/69/26/40/1418692640.db2.gz LEGCDAGXHGLEEV-YDDHHUIZSA-N 0 3 328.456 2.812 10 10 EFCEHN CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000848556886 715281439 /nfs/dbraw/zinc/28/14/39/715281439.db2.gz AMNUKIOAGZKWEE-YGRLFVJLSA-N 0 3 332.238 2.511 10 10 EFCEHN CCOCc1cc(CN[C@H]2CCO[C@@H]2c2cc[nH]n2)ccc1OC ZINC000888077110 715829753 /nfs/dbraw/zinc/82/97/53/715829753.db2.gz KKAPFXRHTYONDE-YJBOKZPZSA-N 0 3 331.416 2.575 10 10 EFCEHN COC(=O)c1c(CNC[C@H]2CC[C@@H](C)O2)c2cc(F)ccc2n1C ZINC000894969617 723038716 /nfs/dbraw/zinc/03/87/16/723038716.db2.gz JDSJGQHLGDJUDW-DGCLKSJQSA-N 0 3 334.391 2.761 10 10 EFCEHN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000027762752 716911770 /nfs/dbraw/zinc/91/17/70/716911770.db2.gz GAODCZORWYJNBQ-AWEZNQCLSA-N 0 3 340.427 2.855 10 10 EFCEHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000182345168 720117446 /nfs/dbraw/zinc/11/74/46/720117446.db2.gz QJYAHKUWTLFLGY-JTQLQIEISA-N 0 3 336.338 2.968 10 10 EFCEHN COC(=O)c1c(CNC[C@@H](O)CC(C)C)c2cc(F)ccc2n1C ZINC000894210659 721247859 /nfs/dbraw/zinc/24/78/59/721247859.db2.gz IIBYBCRAHWBOFU-ZDUSSCGKSA-N 0 3 336.407 2.601 10 10 EFCEHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000896265542 723227645 /nfs/dbraw/zinc/22/76/45/723227645.db2.gz JTXUMXJGBSAXDN-GFCCVEGCSA-N 0 3 332.425 2.527 10 10 EFCEHN CCN1CCCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896294231 723244623 /nfs/dbraw/zinc/24/46/23/723244623.db2.gz QWDONXNFFPNPJV-GFCCVEGCSA-N 0 3 334.441 2.917 10 10 EFCEHN COC(=O)c1c(CN[C@@H]2CO[C@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404380 724126370 /nfs/dbraw/zinc/12/63/70/724126370.db2.gz FJEPMSSVHQNADC-GUYCJALGSA-N 0 3 346.402 2.761 10 10 EFCEHN COC(=O)c1c(CN[C@@H]2CO[C@@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404383 724126564 /nfs/dbraw/zinc/12/65/64/724126564.db2.gz FJEPMSSVHQNADC-SUMWQHHRSA-N 0 3 346.402 2.761 10 10 EFCEHN COc1cccc2c1CC[C@@]2(CO)NCc1cc(C)cc(OC)c1O ZINC000895633862 724227968 /nfs/dbraw/zinc/22/79/68/724227968.db2.gz HCTWJMNYFGPSOM-FQEVSTJZSA-N 0 3 343.423 2.641 10 10 EFCEHN C[C@@H]1CCCCN1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895739490 724288674 /nfs/dbraw/zinc/28/86/74/724288674.db2.gz CQTNSCVRLNYTDN-LLVKDONJSA-N 0 3 334.441 2.917 10 10 EFCEHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccccn1 ZINC000732166683 727000421 /nfs/dbraw/zinc/00/04/21/727000421.db2.gz RISFFOPWPDATJG-QGZVFWFLSA-N 0 3 338.455 2.798 10 10 EFCEHN CCN1CCC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000174237954 728655855 /nfs/dbraw/zinc/65/58/55/728655855.db2.gz HCMWRGDLOBDOPH-OAHLLOKOSA-N 0 3 331.460 2.555 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000919657457 729064106 /nfs/dbraw/zinc/06/41/06/729064106.db2.gz MVBBIYSJFAJTLD-QGZVFWFLSA-N 0 3 332.492 2.768 10 10 EFCEHN CN(C)c1cc(F)c(CNC2(CO)Cc3ccccc3C2)cc1F ZINC000858139377 1126112770 /nfs/dbraw/zinc/11/27/70/1126112770.db2.gz SNWBSAUVKZEQBP-UHFFFAOYSA-N 0 3 332.394 2.650 10 10 EFCEHN CC(C)CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001586054413 1092669112 /nfs/dbraw/zinc/66/91/12/1092669112.db2.gz ICBYVASOLXWOIW-LPHOPBHVSA-N 0 3 349.519 2.923 10 10 EFCEHN Cc1ccc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)cn1 ZINC000782940446 1094505266 /nfs/dbraw/zinc/50/52/66/1094505266.db2.gz FRUIPZLVGWTAOD-LJQANCHMSA-N 0 3 340.423 2.901 10 10 EFCEHN CCc1ocnc1C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001670760338 1094948833 /nfs/dbraw/zinc/94/88/33/1094948833.db2.gz UBEZOOWNZGKJHD-UHFFFAOYSA-N 0 3 343.427 2.606 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3(C(F)F)CC3)CC2)cc1C ZINC001670781987 1095245342 /nfs/dbraw/zinc/24/53/42/1095245342.db2.gz SBKSXDLWTTWUPR-UHFFFAOYSA-N 0 3 338.398 2.787 10 10 EFCEHN COc1cc(CN2CCC(Oc3cnccn3)CC2)c(O)cc1C ZINC000782888403 1096214033 /nfs/dbraw/zinc/21/40/33/1096214033.db2.gz XDORMFWNUMHNNZ-UHFFFAOYSA-N 0 3 329.400 2.543 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccsn2)cc1C ZINC001268554937 1097183237 /nfs/dbraw/zinc/18/32/37/1097183237.db2.gz LGORABUFUGJZRS-ARJAWSKDSA-N 0 3 331.441 2.536 10 10 EFCEHN COc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000022772064 1099384974 /nfs/dbraw/zinc/38/49/74/1099384974.db2.gz IDPAIEDAORKJAT-UHFFFAOYSA-N 0 3 342.439 2.830 10 10 EFCEHN CC(C)CN1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001634386709 1100605571 /nfs/dbraw/zinc/60/55/71/1100605571.db2.gz FQTVQHLOTGKYET-KRWDZBQOSA-N 0 3 331.460 2.598 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)cn2C)N(C)C)cc1 ZINC001637004701 1100750255 /nfs/dbraw/zinc/75/02/55/1100750255.db2.gz LZFBSTCXCWBWBJ-KRWDZBQOSA-N 0 3 348.878 2.777 10 10 EFCEHN Cc1cc(C(=O)NOCCN(C)C)c(C)n1-c1cccc(Cl)c1 ZINC001639133150 1100917695 /nfs/dbraw/zinc/91/76/95/1100917695.db2.gz OQXLVYGUUCVSFX-UHFFFAOYSA-N 0 3 335.835 2.971 10 10 EFCEHN Cc1cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)ccc1N1CCCCC1 ZINC001642802186 1101243297 /nfs/dbraw/zinc/24/32/97/1101243297.db2.gz CBXFLDOAAIHLRC-RTBURBONSA-N 0 3 345.531 2.872 10 10 EFCEHN Cc1cc(CN2CCN(C[C@H](C)O)C[C@H]2C)ccc1N1CCCCC1 ZINC001642802183 1101243867 /nfs/dbraw/zinc/24/38/67/1101243867.db2.gz CBXFLDOAAIHLRC-MOPGFXCFSA-N 0 3 345.531 2.872 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000848512976 1101465327 /nfs/dbraw/zinc/46/53/27/1101465327.db2.gz BPSJYKNQIRCNSI-KOLCDFICSA-N 0 3 330.222 2.993 10 10 EFCEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ccccc2O)c1 ZINC001654532212 1101729889 /nfs/dbraw/zinc/72/98/89/1101729889.db2.gz KKXNZOHFOBZAFX-NSHDSACASA-N 0 3 330.340 2.938 10 10 EFCEHN COc1ccc(N2CCN(CC3(O)CCCCC3)CC2)c(OC)c1 ZINC001654564909 1101733816 /nfs/dbraw/zinc/73/38/16/1101733816.db2.gz TVMGHPOBYREKBD-UHFFFAOYSA-N 0 3 334.460 2.521 10 10 EFCEHN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001655347499 1101813092 /nfs/dbraw/zinc/81/30/92/1101813092.db2.gz ZBFABKDPMYRJDY-GFCCVEGCSA-N 0 3 329.356 2.898 10 10 EFCEHN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]Cc1ccccc1[O-])O2 ZINC000690697393 1101961392 /nfs/dbraw/zinc/96/13/92/1101961392.db2.gz UTSCUSPDFJUIFA-OAHLLOKOSA-N 0 3 348.443 2.650 10 10 EFCEHN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000783732427 1104063791 /nfs/dbraw/zinc/06/37/91/1104063791.db2.gz DQQZWLUCNJEANY-UHFFFAOYSA-N 0 3 333.432 2.789 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)cc1C ZINC001670843013 1104652223 /nfs/dbraw/zinc/65/22/23/1104652223.db2.gz PFGFLMBELILHGT-FVQHAEBGSA-N 0 3 328.456 2.788 10 10 EFCEHN COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000093757862 1105223425 /nfs/dbraw/zinc/22/34/25/1105223425.db2.gz GVGFOUHDWFBXQB-AWEZNQCLSA-N 0 3 336.432 2.890 10 10 EFCEHN COc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000093757862 1105223427 /nfs/dbraw/zinc/22/34/27/1105223427.db2.gz GVGFOUHDWFBXQB-AWEZNQCLSA-N 0 3 336.432 2.890 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)c2csnc2C)cc1C ZINC001668785480 1105370679 /nfs/dbraw/zinc/37/06/79/1105370679.db2.gz BXBRDCABMALKFY-PLNGDYQASA-N 0 3 345.468 2.844 10 10 EFCEHN CC[C@@H]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)O1 ZINC001483015177 1105556330 /nfs/dbraw/zinc/55/63/30/1105556330.db2.gz FYMRXZAKUNOOLL-ZHHRLCKPSA-N 0 3 346.471 2.723 10 10 EFCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925328815 1107414167 /nfs/dbraw/zinc/41/41/67/1107414167.db2.gz LEMFFWNAJOUYBN-MAUKXSAKSA-N 0 3 332.492 2.765 10 10 EFCEHN CCO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])CN(C)C ZINC000926957415 1108266347 /nfs/dbraw/zinc/26/63/47/1108266347.db2.gz BHSAHTGCRIDXNY-WCQYABFASA-N 0 3 345.281 2.772 10 10 EFCEHN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCN(CC)C1 ZINC000898674289 1109051404 /nfs/dbraw/zinc/05/14/04/1109051404.db2.gz DMPCHLICXRLVGX-GFCCVEGCSA-N 0 3 334.441 2.869 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CCO[C@@]4(CCOC4)C3)c2c1 ZINC000184290307 1118992760 /nfs/dbraw/zinc/99/27/60/1118992760.db2.gz ADNZDTHHEKVAEG-IBGZPJMESA-N 0 3 329.396 2.545 10 10 EFCEHN COc1ccc2ccc([O-])c(C[N@H+]3CCO[C@@]4(CCOC4)C3)c2c1 ZINC000184290307 1118992765 /nfs/dbraw/zinc/99/27/65/1118992765.db2.gz ADNZDTHHEKVAEG-IBGZPJMESA-N 0 3 329.396 2.545 10 10 EFCEHN COc1ccc2ccc(O)c(CN3CCO[C@@]4(CCOC4)C3)c2c1 ZINC000184290307 1118992767 /nfs/dbraw/zinc/99/27/67/1118992767.db2.gz ADNZDTHHEKVAEG-IBGZPJMESA-N 0 3 329.396 2.545 10 10 EFCEHN Cn1ncc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066972235 215099640 /nfs/dbraw/zinc/09/96/40/215099640.db2.gz YGPDLUXYKZGNBV-QGZVFWFLSA-N 0 3 344.434 2.563 10 10 EFCEHN CCOc1cccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c1[O-] ZINC000075126689 216567983 /nfs/dbraw/zinc/56/79/83/216567983.db2.gz BACCPDJZASFMAC-UHFFFAOYSA-N 0 3 349.452 2.745 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192711709 240061425 /nfs/dbraw/zinc/06/14/25/240061425.db2.gz QDEDUYCXZMCAFT-ZDUSSCGKSA-N 0 3 328.416 2.510 10 10 EFCEHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1C ZINC000194932214 240187453 /nfs/dbraw/zinc/18/74/53/240187453.db2.gz FLJYYGGNAWFYPO-CQSZACIVSA-N 0 3 330.432 2.838 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1C ZINC000194932214 240187467 /nfs/dbraw/zinc/18/74/67/240187467.db2.gz FLJYYGGNAWFYPO-CQSZACIVSA-N 0 3 330.432 2.838 10 10 EFCEHN C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000248383681 240288950 /nfs/dbraw/zinc/28/89/50/240288950.db2.gz AXSHFHJWRGMSMM-CGTJXYLNSA-N 0 3 326.440 2.678 10 10 EFCEHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(O)c1O ZINC000248415192 240290007 /nfs/dbraw/zinc/29/00/07/240290007.db2.gz NUCNHRZYXACVJQ-HOTGVXAUSA-N 0 3 326.396 2.581 10 10 EFCEHN Cc1ccc([C@@H](C)NCc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000274727900 240732121 /nfs/dbraw/zinc/73/21/21/240732121.db2.gz BBLLAJDEZFQVMM-OAHLLOKOSA-N 0 3 327.428 2.783 10 10 EFCEHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1Cc1ccc(F)cc1 ZINC000296270279 241081917 /nfs/dbraw/zinc/08/19/17/241081917.db2.gz CCROCXAULCWWJY-IRXDYDNUSA-N 0 3 340.398 2.909 10 10 EFCEHN Cc1ccnc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000363877239 242284674 /nfs/dbraw/zinc/28/46/74/242284674.db2.gz VCXBTPNUMAUFFS-UHFFFAOYSA-N 0 3 327.384 2.599 10 10 EFCEHN Fc1ccc2c(c1)C[C@H](NCc1ccc(N3CCOCC3)cc1)CO2 ZINC000367450502 242379975 /nfs/dbraw/zinc/37/99/75/242379975.db2.gz JGJPMMNKYYMASI-SFHVURJKSA-N 0 3 342.414 2.756 10 10 EFCEHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cccs3)cc2)C1 ZINC000054179191 132190195 /nfs/dbraw/zinc/19/01/95/132190195.db2.gz XDSIQOFXRXIUGH-OAHLLOKOSA-N 0 3 329.469 2.740 10 10 EFCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190478528 473289268 /nfs/dbraw/zinc/28/92/68/473289268.db2.gz WLSIGAXYNHRHHJ-KRWDZBQOSA-N 0 3 341.455 2.750 10 10 EFCEHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190478528 473289274 /nfs/dbraw/zinc/28/92/74/473289274.db2.gz WLSIGAXYNHRHHJ-KRWDZBQOSA-N 0 3 341.455 2.750 10 10 EFCEHN C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000184992408 473294554 /nfs/dbraw/zinc/29/45/54/473294554.db2.gz HBVGQGUEKZVTIW-KSSFIOAISA-N 0 3 344.430 2.601 10 10 EFCEHN CCCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000068973623 472273565 /nfs/dbraw/zinc/27/35/65/472273565.db2.gz OFKGTMGHACXOSU-PKOBYXMFSA-N 0 3 346.471 2.774 10 10 EFCEHN Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459646 472349882 /nfs/dbraw/zinc/34/98/82/472349882.db2.gz IIONPCPZRZFWPS-HOTGVXAUSA-N 0 3 346.450 2.907 10 10 EFCEHN Cn1c(=O)cc(Nc2c3ccccc3nc3ccccc32)n(C)c1=O ZINC000032286899 472421979 /nfs/dbraw/zinc/42/19/79/472421979.db2.gz KLAFGAVGEXBQJP-UHFFFAOYSA-N 0 3 332.363 2.529 10 10 EFCEHN Cc1nc2n(n1)C[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000069772779 472425031 /nfs/dbraw/zinc/42/50/31/472425031.db2.gz HUHDWVLRYJQBSY-QGZVFWFLSA-N 0 3 325.460 2.681 10 10 EFCEHN CS(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000072281951 472647516 /nfs/dbraw/zinc/64/75/16/472647516.db2.gz AORCYOQMMLDBLI-UHFFFAOYSA-N 0 3 325.474 2.962 10 10 EFCEHN CS(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000072281951 472647522 /nfs/dbraw/zinc/64/75/22/472647522.db2.gz AORCYOQMMLDBLI-UHFFFAOYSA-N 0 3 325.474 2.962 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c1 ZINC000120404105 472682739 /nfs/dbraw/zinc/68/27/39/472682739.db2.gz XNGOLCAUGXRGLF-MRXNPFEDSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCN2c2cccnn2)c1 ZINC000120404105 472682743 /nfs/dbraw/zinc/68/27/43/472682743.db2.gz XNGOLCAUGXRGLF-MRXNPFEDSA-N 0 3 342.443 2.682 10 10 EFCEHN COc1cccc(CNC(=O)c2cccc(CN3CCCC3)c2)c1O ZINC000105650217 472766136 /nfs/dbraw/zinc/76/61/36/472766136.db2.gz PFUQYAFWGWWLPX-UHFFFAOYSA-N 0 3 340.423 2.927 10 10 EFCEHN CCOc1ccc(O)c(CN2CCCN(c3nccs3)CC2)c1 ZINC000092482997 472921770 /nfs/dbraw/zinc/92/17/70/472921770.db2.gz AULJRPUIFDIQSB-UHFFFAOYSA-N 0 3 333.457 2.960 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121950979 472951675 /nfs/dbraw/zinc/95/16/75/472951675.db2.gz CHMYNFOOLQPZCK-MRXNPFEDSA-N 0 3 344.459 2.911 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1[O-] ZINC000121950979 472951683 /nfs/dbraw/zinc/95/16/83/472951683.db2.gz CHMYNFOOLQPZCK-MRXNPFEDSA-N 0 3 344.459 2.911 10 10 EFCEHN Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000092813360 472990147 /nfs/dbraw/zinc/99/01/47/472990147.db2.gz QYEUHULBRUIYMC-CQSZACIVSA-N 0 3 341.411 2.758 10 10 EFCEHN Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000092813360 472990157 /nfs/dbraw/zinc/99/01/57/472990157.db2.gz QYEUHULBRUIYMC-CQSZACIVSA-N 0 3 341.411 2.758 10 10 EFCEHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000186110023 473593730 /nfs/dbraw/zinc/59/37/30/473593730.db2.gz GUEPHLZWTXWGPB-BBRMVZONSA-N 0 3 331.460 2.725 10 10 EFCEHN Cc1cc(Cl)cc(CN2CCN(CC[NH+]3CCCC3)CC2)c1[O-] ZINC000179599087 473697613 /nfs/dbraw/zinc/69/76/13/473697613.db2.gz POXZNNQSWDTHDV-UHFFFAOYSA-N 0 3 337.895 2.567 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000179847055 473741176 /nfs/dbraw/zinc/74/11/76/473741176.db2.gz PCBSTWRJFWFEPU-INIZCTEOSA-N 0 3 345.867 2.588 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000179847055 473741182 /nfs/dbraw/zinc/74/11/82/473741182.db2.gz PCBSTWRJFWFEPU-INIZCTEOSA-N 0 3 345.867 2.588 10 10 EFCEHN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000186796797 473758398 /nfs/dbraw/zinc/75/83/98/473758398.db2.gz QQHQNEIGBJIZGX-UHFFFAOYSA-N 0 3 326.396 2.624 10 10 EFCEHN Cc1occc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180063756 473788613 /nfs/dbraw/zinc/78/86/13/473788613.db2.gz LARQZSKJXBQMER-UHFFFAOYSA-N 0 3 332.375 2.827 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265227154 474170393 /nfs/dbraw/zinc/17/03/93/474170393.db2.gz ICVVDEZTYARCSB-INIZCTEOSA-N 0 3 340.423 2.965 10 10 EFCEHN COc1cc([O-])c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000289668780 474371596 /nfs/dbraw/zinc/37/15/96/474371596.db2.gz DJDBJIMOGJPAKE-ZDUSSCGKSA-N 0 3 330.384 2.677 10 10 EFCEHN CCOC(=O)c1csc(CCNCc2ccc(OC)c(C)c2)n1 ZINC000276083697 474411705 /nfs/dbraw/zinc/41/17/05/474411705.db2.gz GTBQKFOQWWYVHE-UHFFFAOYSA-N 0 3 334.441 2.969 10 10 EFCEHN Oc1cc2c(cc1CN1CCC(Nc3nccs3)CC1)OCO2 ZINC000189952809 474517865 /nfs/dbraw/zinc/51/78/65/474517865.db2.gz BXNSXHCDVXVRNL-UHFFFAOYSA-N 0 3 333.413 2.654 10 10 EFCEHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(C)c(C)cc2[O-])n1 ZINC000190345647 474582624 /nfs/dbraw/zinc/58/26/24/474582624.db2.gz FNCGLXMPJYICPR-UHFFFAOYSA-N 0 3 334.441 2.975 10 10 EFCEHN COc1c([O-])c(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278209931 474604030 /nfs/dbraw/zinc/60/40/30/474604030.db2.gz KCYRROUZURUXDF-OAHLLOKOSA-N 0 3 349.431 2.759 10 10 EFCEHN COc1c([O-])c(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278209931 474604034 /nfs/dbraw/zinc/60/40/34/474604034.db2.gz KCYRROUZURUXDF-OAHLLOKOSA-N 0 3 349.431 2.759 10 10 EFCEHN CCOc1cccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1[O-] ZINC000184806697 474611591 /nfs/dbraw/zinc/61/15/91/474611591.db2.gz WSACHGKCEUCSFR-UHFFFAOYSA-N 0 3 327.428 2.898 10 10 EFCEHN CCOc1cccc(C[N@H+]2CCCN(c3ccccn3)CC2)c1[O-] ZINC000184806697 474611593 /nfs/dbraw/zinc/61/15/93/474611593.db2.gz WSACHGKCEUCSFR-UHFFFAOYSA-N 0 3 327.428 2.898 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338084 474614460 /nfs/dbraw/zinc/61/44/60/474614460.db2.gz CFLMTIHSJRXEON-LSDHHAIUSA-N 0 3 344.459 2.762 10 10 EFCEHN CCn1nccc1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278782517 474831211 /nfs/dbraw/zinc/83/12/11/474831211.db2.gz ZONXWBPVNWJURJ-GOSISDBHSA-N 0 3 329.444 2.832 10 10 EFCEHN CCn1nccc1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000278782517 474831220 /nfs/dbraw/zinc/83/12/20/474831220.db2.gz ZONXWBPVNWJURJ-GOSISDBHSA-N 0 3 329.444 2.832 10 10 EFCEHN CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000268454025 474986888 /nfs/dbraw/zinc/98/68/88/474986888.db2.gz WUOYQKYAQRISRY-GOSISDBHSA-N 0 3 339.439 2.953 10 10 EFCEHN COC[C@](C)(CCO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280205860 475015116 /nfs/dbraw/zinc/01/51/16/475015116.db2.gz HZJKMAGSMVTFOT-HNNXBMFYSA-N 0 3 334.382 2.649 10 10 EFCEHN CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293581146 475041420 /nfs/dbraw/zinc/04/14/20/475041420.db2.gz JRZUDUYWYSKLOF-ZDUSSCGKSA-N 0 3 343.874 2.548 10 10 EFCEHN CCOc1cccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000369491801 476421461 /nfs/dbraw/zinc/42/14/61/476421461.db2.gz SLKCNEIUQJBIOD-UHFFFAOYSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1cccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000369491801 476421468 /nfs/dbraw/zinc/42/14/68/476421468.db2.gz SLKCNEIUQJBIOD-UHFFFAOYSA-N 0 3 342.443 2.682 10 10 EFCEHN Cc1cc(Br)cc(CN[C@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530179732 477878255 /nfs/dbraw/zinc/87/82/55/477878255.db2.gz WBBKDWMNXUYQPI-ZDUSSCGKSA-N 0 3 325.250 2.837 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000527805115 478527408 /nfs/dbraw/zinc/52/74/08/478527408.db2.gz IGMXSZAPXFRQTQ-QGZVFWFLSA-N 0 3 326.396 2.707 10 10 EFCEHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CC2(CCCC2)c2ccccc21 ZINC000662492638 481839496 /nfs/dbraw/zinc/83/94/96/481839496.db2.gz NFQHJFJGIPUCDE-CQSZACIVSA-N 0 3 336.439 2.959 10 10 EFCEHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CC2(CCCC2)c2ccccc21 ZINC000662492637 481839802 /nfs/dbraw/zinc/83/98/02/481839802.db2.gz NFQHJFJGIPUCDE-AWEZNQCLSA-N 0 3 336.439 2.959 10 10 EFCEHN CN(C)C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000031727351 521859789 /nfs/dbraw/zinc/85/97/89/521859789.db2.gz BKZJGOARNJGJDL-IBGZPJMESA-N 0 3 340.471 2.855 10 10 EFCEHN CCN(CC)c1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1F ZINC000162596787 528298953 /nfs/dbraw/zinc/29/89/53/528298953.db2.gz DBMPIKLMDFTQRZ-UHFFFAOYSA-N 0 3 335.467 2.972 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000263654606 535752311 /nfs/dbraw/zinc/75/23/11/535752311.db2.gz FIJGYSMRDCJYLT-UHFFFAOYSA-N 0 3 338.411 2.721 10 10 EFCEHN CCOc1ccc(O)c(CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000263654606 535752318 /nfs/dbraw/zinc/75/23/18/535752318.db2.gz FIJGYSMRDCJYLT-UHFFFAOYSA-N 0 3 338.411 2.721 10 10 EFCEHN CC[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413258 535937039 /nfs/dbraw/zinc/93/70/39/535937039.db2.gz QQKJATIQNAQSLH-RBUKOAKNSA-N 0 3 345.487 2.573 10 10 EFCEHN CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1[O-] ZINC000373559322 546149521 /nfs/dbraw/zinc/14/95/21/546149521.db2.gz BNMHGJMRMNLNHS-DLBZAZTESA-N 0 3 332.444 2.521 10 10 EFCEHN CCCN(CCC)c1ccc(CNC[C@H](C)S(C)(=O)=O)cc1 ZINC000754085908 575387841 /nfs/dbraw/zinc/38/78/41/575387841.db2.gz RVUNYTNFRLEWAK-HNNXBMFYSA-N 0 3 326.506 2.836 10 10 EFCEHN Cc1ccc(/C=C\C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cn1 ZINC000754359785 575424729 /nfs/dbraw/zinc/42/47/29/575424729.db2.gz ZTMIIVIALHWMEM-MQNTZWLQSA-N 0 3 337.423 2.759 10 10 EFCEHN CCCN(CCC)c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000754891058 575510219 /nfs/dbraw/zinc/51/02/19/575510219.db2.gz TWCDEXYGHHNWQR-QGZVFWFLSA-N 0 3 338.517 2.980 10 10 EFCEHN C[C@@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2[O-] ZINC000756778951 575786140 /nfs/dbraw/zinc/78/61/40/575786140.db2.gz HCDQSTXLHBRVFS-BXUZGUMPSA-N 0 3 341.448 2.884 10 10 EFCEHN CCN(CC)c1ccc(CN(C)CCCCS(C)(=O)=O)cc1 ZINC000759688182 575921601 /nfs/dbraw/zinc/92/16/01/575921601.db2.gz FMEIRXVCFCZLND-UHFFFAOYSA-N 0 3 326.506 2.789 10 10 EFCEHN CC[S@@](=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938670 577090152 /nfs/dbraw/zinc/09/01/52/577090152.db2.gz ABQDNMCKEOYENH-WHEQGISXSA-N 0 3 344.908 2.596 10 10 EFCEHN COc1cccc(N2C[C@H](NCc3ccc(OC)c(C)c3)CC2=O)c1 ZINC000725853361 577251186 /nfs/dbraw/zinc/25/11/86/577251186.db2.gz POCXPAOGFPCCKN-MRXNPFEDSA-N 0 3 340.423 2.907 10 10 EFCEHN COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])cc1C ZINC000768448733 577274789 /nfs/dbraw/zinc/27/47/89/577274789.db2.gz WHTNGYSEWPEJMY-OAHLLOKOSA-N 0 3 332.444 2.544 10 10 EFCEHN COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([O-])cc1C ZINC000768448733 577274790 /nfs/dbraw/zinc/27/47/90/577274790.db2.gz WHTNGYSEWPEJMY-OAHLLOKOSA-N 0 3 332.444 2.544 10 10 EFCEHN C[C@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464037 577275900 /nfs/dbraw/zinc/27/59/00/577275900.db2.gz MTBCDYWWTMNZLM-QUCCMNQESA-N 0 3 325.408 2.982 10 10 EFCEHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464037 577275903 /nfs/dbraw/zinc/27/59/03/577275903.db2.gz MTBCDYWWTMNZLM-QUCCMNQESA-N 0 3 325.408 2.982 10 10 EFCEHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)[C@H](O)CO2 ZINC000768463291 577276017 /nfs/dbraw/zinc/27/60/17/577276017.db2.gz RDINUNFWAHSMNE-GOSISDBHSA-N 0 3 326.396 2.593 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)[C@@H](O)CO2 ZINC000768465812 577276242 /nfs/dbraw/zinc/27/62/42/577276242.db2.gz LYHWDUNZCNUMLX-YJBOKZPZSA-N 0 3 333.428 2.742 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)[C@@H](O)CO2 ZINC000768465812 577276244 /nfs/dbraw/zinc/27/62/44/577276244.db2.gz LYHWDUNZCNUMLX-YJBOKZPZSA-N 0 3 333.428 2.742 10 10 EFCEHN C/C=C/C=C\C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768532483 577280942 /nfs/dbraw/zinc/28/09/42/577280942.db2.gz KTYBUJANSBGFCM-IAROGAJJSA-N 0 3 339.483 2.967 10 10 EFCEHN C[C@@H](NC(=O)NCCN1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773216707 581406231 /nfs/dbraw/zinc/40/62/31/581406231.db2.gz BJJQSKBABKHEBF-HZPDHXFCSA-N 0 3 332.492 2.987 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(N(C)CC)cc1 ZINC000773853134 581469764 /nfs/dbraw/zinc/46/97/64/581469764.db2.gz YCKJZVBKNGBYDT-MSOLQXFVSA-N 0 3 334.460 2.685 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681193 581497594 /nfs/dbraw/zinc/49/75/94/581497594.db2.gz ZNGKKHRCUQDICV-QZTJIDSGSA-N 0 3 347.455 2.814 10 10 EFCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCCC2 ZINC000774681193 581497595 /nfs/dbraw/zinc/49/75/95/581497595.db2.gz ZNGKKHRCUQDICV-QZTJIDSGSA-N 0 3 347.455 2.814 10 10 EFCEHN CCOc1cccc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000850346745 1250441089 /nfs/dbraw/zinc/44/10/89/1250441089.db2.gz IVSYUFGPQSFXAI-MRXNPFEDSA-N 0 3 327.428 2.857 10 10 EFCEHN CCOc1ccc(O)c(CNCc2cnc(C(F)(F)F)nc2)c1 ZINC000850345088 1250442832 /nfs/dbraw/zinc/44/28/32/1250442832.db2.gz IYVSDAQBRCGMLL-UHFFFAOYSA-N 0 3 327.306 2.890 10 10 EFCEHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c([O-])c1 ZINC000850396030 1250465048 /nfs/dbraw/zinc/46/50/48/1250465048.db2.gz OIWSRGXPSHTBEF-RTBURBONSA-N 0 3 346.471 2.524 10 10 EFCEHN CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000850555439 1250532724 /nfs/dbraw/zinc/53/27/24/1250532724.db2.gz INVQPLMMMCQDMD-LLVKDONJSA-N 0 3 331.865 2.972 10 10 EFCEHN OC1CCN(c2ccc(CN[C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000850568501 1250540800 /nfs/dbraw/zinc/54/08/00/1250540800.db2.gz ZGUJYXAZLUENOS-GOSISDBHSA-N 0 3 326.444 2.538 10 10 EFCEHN Cn1nc2c(c1CNCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000921551770 1257250647 /nfs/dbraw/zinc/25/06/47/1257250647.db2.gz PVTZAZREVUWAEV-UHFFFAOYSA-N 0 3 342.512 2.752 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C[C@@H]3CCCOC3)CC2)cc1C ZINC001670899926 1257956671 /nfs/dbraw/zinc/95/66/71/1257956671.db2.gz HODRDTOIYUZTGE-KRWDZBQOSA-N 0 3 346.471 2.559 10 10 EFCEHN CC[C@H](F)CN[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963777 1262547605 /nfs/dbraw/zinc/54/76/05/1262547605.db2.gz SYAWGFYQMDZHGH-YPMHNXCESA-N 0 3 337.399 2.647 10 10 EFCEHN CCN(CC)c1ccc(CN(C)C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844271482 1278846098 /nfs/dbraw/zinc/84/60/98/1278846098.db2.gz QJGBTYLPFXWBGR-SFHVURJKSA-N 0 3 331.460 2.948 10 10 EFCEHN [O-]c1cccc(Br)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000707172219 1275376024 /nfs/dbraw/zinc/37/60/24/1275376024.db2.gz UUJQPFXAYGYTDS-LBPRGKRZSA-N 0 3 325.250 2.825 10 10 EFCEHN [O-]c1cccc(Br)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000707172219 1275376032 /nfs/dbraw/zinc/37/60/32/1275376032.db2.gz UUJQPFXAYGYTDS-LBPRGKRZSA-N 0 3 325.250 2.825 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971260 1276414482 /nfs/dbraw/zinc/41/44/82/1276414482.db2.gz LLDFHRGWQSPEKP-MWODSPESSA-N 0 3 331.229 2.942 10 10 EFCEHN Cc1ccccc1[C@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000747100508 1279366522 /nfs/dbraw/zinc/36/65/22/1279366522.db2.gz IXOWPAAHIFMPJX-FQEVSTJZSA-N 0 3 326.440 2.655 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000793573367 1279771333 /nfs/dbraw/zinc/77/13/33/1279771333.db2.gz QCWYDWJDQOFGGV-REJLFOLJSA-N 0 3 325.424 2.827 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c2c1c(F)ccc2[O-] ZINC000793573369 1279771457 /nfs/dbraw/zinc/77/14/57/1279771457.db2.gz QCWYDWJDQOFGGV-ZSEWYUTFSA-N 0 3 325.424 2.827 10 10 EFCEHN COc1ccc(O)c([C@H](C)NCc2cnnn2Cc2ccccc2)c1 ZINC000845970859 1279946579 /nfs/dbraw/zinc/94/65/79/1279946579.db2.gz DKESJUWDOKFMOM-AWEZNQCLSA-N 0 3 338.411 2.891 10 10 EFCEHN COCCN1CCN(Cc2cc(Cl)cc(OC)c2O)C(C)(C)C1 ZINC000846102433 1280034859 /nfs/dbraw/zinc/03/48/59/1280034859.db2.gz GOZDOHNULJGLDZ-UHFFFAOYSA-N 0 3 342.867 2.597 10 10 EFCEHN COCCN1CCN(C/C=C\c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000846103377 1280035881 /nfs/dbraw/zinc/03/58/81/1280035881.db2.gz OYBPKNFNAVCUJM-SREVYHEPSA-N 0 3 331.504 2.808 10 10 EFCEHN CNC(=O)C[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1 ZINC000846168785 1280045540 /nfs/dbraw/zinc/04/55/40/1280045540.db2.gz VSXIFAYXHNYGJZ-BBRMVZONSA-N 0 3 328.412 2.929 10 10 EFCEHN CN1CCCc2cc(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)ccc21 ZINC000810266599 1283083073 /nfs/dbraw/zinc/08/30/73/1283083073.db2.gz QYKCWOWDXRQEDI-FQEVSTJZSA-N 0 3 347.478 2.898 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000816667887 1288249122 /nfs/dbraw/zinc/24/91/22/1288249122.db2.gz YRUKGWAQUPRHRL-SJORKVTESA-N 0 3 325.836 2.764 10 10 EFCEHN Cc1cc(CC(=O)N[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccccc1 ZINC000823665348 1289406110 /nfs/dbraw/zinc/40/61/10/1289406110.db2.gz YZAILQRPRORJOK-GOSISDBHSA-N 0 3 337.467 2.990 10 10 EFCEHN C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001136810458 1289514924 /nfs/dbraw/zinc/51/49/24/1289514924.db2.gz CGCRQHJRGGZEPJ-UHFFFAOYSA-N 0 3 330.384 2.681 10 10 EFCEHN Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c([O-])c1O ZINC001180534984 1289553348 /nfs/dbraw/zinc/55/33/48/1289553348.db2.gz VKNWWKLMQJAIFE-ZBFHGGJFSA-N 0 3 332.444 2.741 10 10 EFCEHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635353 1289732400 /nfs/dbraw/zinc/73/24/00/1289732400.db2.gz HKLBZGPCZKMHJN-GWCFXTLKSA-N 0 3 344.249 2.756 10 10 EFCEHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(OC)c1[O-] ZINC000824635353 1289732407 /nfs/dbraw/zinc/73/24/07/1289732407.db2.gz HKLBZGPCZKMHJN-GWCFXTLKSA-N 0 3 344.249 2.756 10 10 EFCEHN COc1cccc(O)c1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824637210 1289733561 /nfs/dbraw/zinc/73/35/61/1289733561.db2.gz WSJPWRWUZAZYSJ-APWZRJJASA-N 0 3 331.387 2.701 10 10 EFCEHN CNC(=O)C[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849527 1291553812 /nfs/dbraw/zinc/55/38/12/1291553812.db2.gz KXFDUFVEBSTQCL-DYVFJYSZSA-N 0 3 328.412 2.929 10 10 EFCEHN CNC(=O)C[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849528 1291554343 /nfs/dbraw/zinc/55/43/43/1291554343.db2.gz KXFDUFVEBSTQCL-GUYCJALGSA-N 0 3 328.412 2.929 10 10 EFCEHN Cc1cc(C(=O)NOCCN(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC001299344614 1295259115 /nfs/dbraw/zinc/25/91/15/1295259115.db2.gz VEAITCZNEKWIBU-UHFFFAOYSA-N 0 3 335.835 2.971 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCC[C@H]2OC)cc1C ZINC001274141516 1295501571 /nfs/dbraw/zinc/50/15/71/1295501571.db2.gz IMBYYACZCVMODF-PKVWGGKHSA-N 0 3 346.471 2.581 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2scnc2C)cc1C ZINC001273872479 1296531656 /nfs/dbraw/zinc/53/16/56/1296531656.db2.gz YZVNDVGLVLJVOR-SNAWJCMRSA-N 0 3 345.468 2.844 10 10 EFCEHN [O-]c1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841528 1299428961 /nfs/dbraw/zinc/42/89/61/1299428961.db2.gz VHZFAPANEPWUET-ZBFHGGJFSA-N 0 3 327.371 2.797 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](CCO[C@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841528 1299428965 /nfs/dbraw/zinc/42/89/65/1299428965.db2.gz VHZFAPANEPWUET-ZBFHGGJFSA-N 0 3 327.371 2.797 10 10 EFCEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988420 1299493721 /nfs/dbraw/zinc/49/37/21/1299493721.db2.gz YHFQDGJQIZQVCN-SFHVURJKSA-N 0 3 344.503 2.959 10 10 EFCEHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)n1-c1cccc(C)c1 ZINC000852869767 1299920694 /nfs/dbraw/zinc/92/06/94/1299920694.db2.gz LFOAPNXYJTVLKC-QZTJIDSGSA-N 0 3 329.419 2.914 10 10 EFCEHN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCN3C)c2C)cc1 ZINC000863506647 1302636092 /nfs/dbraw/zinc/63/60/92/1302636092.db2.gz HMOBGDKCJVDZLW-KRWDZBQOSA-N 0 3 341.455 2.927 10 10 EFCEHN CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000866528193 1303673765 /nfs/dbraw/zinc/67/37/65/1303673765.db2.gz WFCGIDZGZFYNLD-MRXNPFEDSA-N 0 3 346.471 2.775 10 10 EFCEHN Cc1cc(C(=O)CN2CC[C@H]3CN(C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC000794954169 1303806360 /nfs/dbraw/zinc/80/63/60/1303806360.db2.gz MOPOKQVBTOHVLK-PXNSSMCTSA-N 0 3 337.467 2.913 10 10 EFCEHN Cc1cc(C(=O)CN2CC[C@H]3CN(C)C[C@H]32)c(C)n1-c1ccccc1 ZINC000794954167 1303806756 /nfs/dbraw/zinc/80/67/56/1303806756.db2.gz MOPOKQVBTOHVLK-FXAWDEMLSA-N 0 3 337.467 2.913 10 10 EFCEHN C[C@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1O ZINC000868170473 1304167923 /nfs/dbraw/zinc/16/79/23/1304167923.db2.gz JENCIPDYDXGQIT-SCLBCKFNSA-N 0 3 341.411 2.936 10 10 EFCEHN C[C@@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1O ZINC000868170280 1304168595 /nfs/dbraw/zinc/16/85/95/1304168595.db2.gz JENCIPDYDXGQIT-ACJLOTCBSA-N 0 3 341.411 2.936 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCC[C@@H]3OC)CC2)cc1C ZINC001277102063 1311618243 /nfs/dbraw/zinc/61/82/43/1311618243.db2.gz PPIXCVYAOUTPLN-WMZOPIPTSA-N 0 3 346.471 2.557 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)C3(CCF)CC3)CC2)cc1C ZINC001277125393 1311662468 /nfs/dbraw/zinc/66/24/68/1311662468.db2.gz OONGXIIFRQRYFN-UHFFFAOYSA-N 0 3 334.435 2.882 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1[O-] ZINC000903393661 1312628218 /nfs/dbraw/zinc/62/82/18/1312628218.db2.gz QZQFRNFJTQDEAW-VDDIYKPWSA-N 0 3 330.222 2.849 10 10 EFCEHN CC[C@H](F)CNC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711163 1314689018 /nfs/dbraw/zinc/68/90/18/1314689018.db2.gz DZQMTDWVSQAHHR-ZFWWWQNUSA-N 0 3 349.410 2.695 10 10 EFCEHN COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179473420 1314703016 /nfs/dbraw/zinc/70/30/16/1314703016.db2.gz LIHHMUVRYJMWAZ-AWEZNQCLSA-N 0 3 336.432 2.842 10 10 EFCEHN COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179473420 1314703020 /nfs/dbraw/zinc/70/30/20/1314703020.db2.gz LIHHMUVRYJMWAZ-AWEZNQCLSA-N 0 3 336.432 2.842 10 10 EFCEHN C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001256236230 1315921780 /nfs/dbraw/zinc/92/17/80/1315921780.db2.gz DRTUDYHVSUUDPI-YJBOKZPZSA-N 0 3 332.492 2.797 10 10 EFCEHN CCN(CC)c1ccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000827544520 1315997740 /nfs/dbraw/zinc/99/77/40/1315997740.db2.gz DDIVHKZEKZMWCB-GOSISDBHSA-N 0 3 332.492 2.721 10 10 EFCEHN C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](CNCCF)C1 ZINC001264568207 1316632669 /nfs/dbraw/zinc/63/26/69/1316632669.db2.gz SJGPQCLUXXCNEW-DOMZBBRYSA-N 0 3 349.410 2.649 10 10 EFCEHN CCCCC(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001281103905 1318014010 /nfs/dbraw/zinc/01/40/10/1318014010.db2.gz IJTSPUSGWGPLTR-HXUWFJFHSA-N 0 3 348.487 2.637 10 10 EFCEHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)CC(F)(F)F ZINC001307722140 1324778105 /nfs/dbraw/zinc/77/81/05/1324778105.db2.gz QCBMAYXVPSNCFF-HNNXBMFYSA-N 0 3 348.409 2.849 10 10 EFCEHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)CC(F)(F)F ZINC001307722140 1324778111 /nfs/dbraw/zinc/77/81/11/1324778111.db2.gz QCBMAYXVPSNCFF-HNNXBMFYSA-N 0 3 348.409 2.849 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001321045508 1329336096 /nfs/dbraw/zinc/33/60/96/1329336096.db2.gz VZUYIEWFWVDNSZ-WCYDHSITSA-N 0 3 338.398 2.667 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3cccnc3N(C)C)C2)cc1 ZINC001328696717 1330616977 /nfs/dbraw/zinc/61/69/77/1330616977.db2.gz NGWHGBVNIRGDTI-MRXNPFEDSA-N 0 3 326.444 2.525 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NC2(CNCCF)CCCCC2)cc1 ZINC001329860054 1330743518 /nfs/dbraw/zinc/74/35/18/1330743518.db2.gz AGLZBNZQRKPJBS-UHFFFAOYSA-N 0 3 349.410 2.841 10 10 EFCEHN CO[C@H]1CC[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001332738724 1331013109 /nfs/dbraw/zinc/01/31/09/1331013109.db2.gz KEYHOJLNRSHZCS-WBVHZDCISA-N 0 3 335.467 2.577 10 10 EFCEHN CC(C)(C)[C@H](CNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332898216 1331036119 /nfs/dbraw/zinc/03/61/19/1331036119.db2.gz HNHHOWJBJMFZDR-ZDUSSCGKSA-N 0 3 337.399 2.553 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)NCc2cnn(C)c2)c1O ZINC000848523435 1334772157 /nfs/dbraw/zinc/77/21/57/1334772157.db2.gz FJEPQJPLSHWTTQ-SECBINFHSA-N 0 3 340.221 2.748 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000848524333 1334772891 /nfs/dbraw/zinc/77/28/91/1334772891.db2.gz HWYKGUZPHUNJKL-UWVGGRQHSA-N 0 3 331.254 2.764 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1[O-] ZINC000848526547 1334775252 /nfs/dbraw/zinc/77/52/52/1334775252.db2.gz AWGRHNOFLARXKM-ZYHUDNBSSA-N 0 3 343.265 2.908 10 10 EFCEHN C[C@H](NCc1cnc(Cl)n1C)c1ccc(N2CCOCC2)cc1 ZINC000848531701 1334778129 /nfs/dbraw/zinc/77/81/29/1334778129.db2.gz RZLSLXSGKGMPDH-ZDUSSCGKSA-N 0 3 334.851 2.761 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000848532608 1334779929 /nfs/dbraw/zinc/77/99/29/1334779929.db2.gz JMQJNTWUPPUNDI-JFGNBEQYSA-N 0 3 342.233 2.751 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000848550774 1334790247 /nfs/dbraw/zinc/79/02/47/1334790247.db2.gz WFCCWZVRHKLCSI-VHSXEESVSA-N 0 3 331.254 2.764 10 10 EFCEHN CCOc1ccc(C[NH2+]Cc2ccccc2CC(=O)OC)c([O-])c1 ZINC000848578463 1334805180 /nfs/dbraw/zinc/80/51/80/1334805180.db2.gz DLVSJKGTJVOMKG-UHFFFAOYSA-N 0 3 329.396 2.796 10 10 EFCEHN CN(C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001440594733 1389764025 /nfs/dbraw/zinc/76/40/25/1389764025.db2.gz XCWKNGPAPLFXPC-MRXNPFEDSA-N 0 3 339.399 2.882 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCC2(C)C)N(C)C)cc1 ZINC001470116132 1397074496 /nfs/dbraw/zinc/07/44/96/1397074496.db2.gz QPHDLLGUPHMVQL-SJORKVTESA-N 0 3 332.492 2.843 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N[C@]2(C)CC2(C)C)N(C)C)cc1 ZINC001471548191 1397182929 /nfs/dbraw/zinc/18/29/29/1397182929.db2.gz RLRUWJCNBFVZTP-VQIMIIECSA-N 0 3 332.492 2.843 10 10 EFCEHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001479377624 1397707972 /nfs/dbraw/zinc/70/79/72/1397707972.db2.gz WNIFQUPWQQVZMR-YJBOKZPZSA-N 0 3 330.476 2.521 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3CCCC[C@H]32)N(C)C)cc1 ZINC001479532982 1397753022 /nfs/dbraw/zinc/75/30/22/1397753022.db2.gz HGGJGVSJZIOSAV-BHIYHBOVSA-N 0 3 344.503 2.939 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)C2(C3CC3)CC2)cc1C ZINC001497607046 1401488562 /nfs/dbraw/zinc/48/85/62/1401488562.db2.gz CQLKZFDEKVQNHU-ONEGZZNKSA-N 0 3 328.456 2.956 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cnc(C)s3)CC2)cc1C ZINC001499175924 1402510072 /nfs/dbraw/zinc/51/00/72/1402510072.db2.gz LIWDHCGVYOHVHS-UHFFFAOYSA-N 0 3 345.468 2.821 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)CCC(F)F)CC2)cc1C ZINC001499289667 1402554160 /nfs/dbraw/zinc/55/41/60/1402554160.db2.gz GUYMJEQBWVWIDU-UHFFFAOYSA-N 0 3 326.387 2.787 10 10 EFCEHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC001556500077 1415073414 /nfs/dbraw/zinc/07/34/14/1415073414.db2.gz VZRAXZJNTAPFOO-HNNXBMFYSA-N 0 3 329.404 2.596 10 10 EFCEHN C[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1O ZINC001560074696 1415262523 /nfs/dbraw/zinc/26/25/23/1415262523.db2.gz BRONRTQGPYANMJ-NSHDSACASA-N 0 3 329.787 2.904 10 10 EFCEHN C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1[O-] ZINC001560074696 1415262526 /nfs/dbraw/zinc/26/25/26/1415262526.db2.gz BRONRTQGPYANMJ-NSHDSACASA-N 0 3 329.787 2.904 10 10 EFCEHN C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001565355434 1415394163 /nfs/dbraw/zinc/39/41/63/1415394163.db2.gz KZJSTZMQHVBASR-KYJSFNMBSA-N 0 3 332.492 2.843 10 10 EFCEHN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCN(C)C3)c2C)cc1 ZINC001565667592 1415409392 /nfs/dbraw/zinc/40/93/92/1415409392.db2.gz JCZNJFDNNJAYJU-MRXNPFEDSA-N 0 3 341.455 2.927 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC001685608906 1416769150 /nfs/dbraw/zinc/76/91/50/1416769150.db2.gz JWEZNBUUHYRJLF-OWYHZJEWSA-N 0 3 344.503 2.843 10 10 EFCEHN CCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1 ZINC001685608775 1416769193 /nfs/dbraw/zinc/76/91/93/1416769193.db2.gz GSXDGEOKNMVRFK-QGZVFWFLSA-N 0 3 332.492 2.987 10 10 EFCEHN COc1ccc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)o1 ZINC001716357763 1418797916 /nfs/dbraw/zinc/79/79/16/1418797916.db2.gz UNFMONVITLHTRV-SNAWJCMRSA-N 0 3 344.411 2.681 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3ccc(F)nc3)CC2)cc1C ZINC001716677650 1418956311 /nfs/dbraw/zinc/95/63/11/1418956311.db2.gz FZXBCYFTKQLJLX-UHFFFAOYSA-N 0 3 343.402 2.590 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cc1C ZINC001723568808 1424524457 /nfs/dbraw/zinc/52/44/57/1424524457.db2.gz VHRCCCYSBQMMNF-DLBZAZTESA-N 0 3 328.456 2.788 10 10 EFCEHN COC(=O)c1c(CNC[C@@H]2CC[C@@H](C)O2)c2cc(F)ccc2n1C ZINC000894969719 723038751 /nfs/dbraw/zinc/03/87/51/723038751.db2.gz JDSJGQHLGDJUDW-YPMHNXCESA-N 0 3 334.391 2.761 10 10 EFCEHN CC[C@@H](CO)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093739771 716230115 /nfs/dbraw/zinc/23/01/15/716230115.db2.gz HWXPUVFSFPMYKP-IBGZPJMESA-N 0 3 331.504 2.565 10 10 EFCEHN CCCN1CCC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382287 717178422 /nfs/dbraw/zinc/17/84/22/717178422.db2.gz LAAKPSOGEOMTND-IBGZPJMESA-N 0 3 345.487 2.655 10 10 EFCEHN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1 ZINC000895810193 724320191 /nfs/dbraw/zinc/32/01/91/724320191.db2.gz IIFFZXYBSNOGHL-NSHDSACASA-N 0 3 334.441 2.917 10 10 EFCEHN COc1ccc(N2CCCN(Cc3c(C)ccnc3N)CC2)cc1 ZINC000893970012 720189407 /nfs/dbraw/zinc/18/94/07/720189407.db2.gz XABDSRHFJJGAQP-UHFFFAOYSA-N 0 3 326.444 2.693 10 10 EFCEHN Cc1cc(O)c(CN2CCc3nc[nH]c3C23CCOCC3)cc1C ZINC000895071522 723179612 /nfs/dbraw/zinc/17/96/12/723179612.db2.gz QHKUCUGRAVPTFQ-UHFFFAOYSA-N 0 3 327.428 2.796 10 10 EFCEHN CCN1CCCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896294232 723244824 /nfs/dbraw/zinc/24/48/24/723244824.db2.gz QWDONXNFFPNPJV-LBPRGKRZSA-N 0 3 334.441 2.917 10 10 EFCEHN COC(=O)c1c(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c2cc(F)ccc2n1C ZINC000895440129 724134696 /nfs/dbraw/zinc/13/46/96/724134696.db2.gz OOXIOBCVLOZTPL-UEKVPHQBSA-N 0 3 334.391 2.760 10 10 EFCEHN COc1cc(O)c(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1OC ZINC000895512271 724175376 /nfs/dbraw/zinc/17/53/76/724175376.db2.gz LBTRISICAZOEJR-GLRZTSSQSA-N 0 3 329.396 2.549 10 10 EFCEHN COc1ccc(O)c(CN2CCN(CCCOC(C)(C)C)CC2)c1 ZINC000895646149 724241991 /nfs/dbraw/zinc/24/19/91/724241991.db2.gz VSTKKLCJIGSGET-UHFFFAOYSA-N 0 3 336.476 2.724 10 10 EFCEHN COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000895780518 724318234 /nfs/dbraw/zinc/31/82/34/724318234.db2.gz LJIWVTPWCHJUAU-PHIMTYICSA-N 0 3 344.274 2.958 10 10 EFCEHN COc1cc(Br)cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000895780518 724318236 /nfs/dbraw/zinc/31/82/36/724318236.db2.gz LJIWVTPWCHJUAU-PHIMTYICSA-N 0 3 344.274 2.958 10 10 EFCEHN COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCCOC1 ZINC000895854338 724353415 /nfs/dbraw/zinc/35/34/15/724353415.db2.gz KFHSYHSRALOPCJ-RISCZKNCSA-N 0 3 329.824 2.585 10 10 EFCEHN O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000913892151 725927257 /nfs/dbraw/zinc/92/72/57/725927257.db2.gz JIQOTRQAHDWPCJ-OAHLLOKOSA-N 0 3 343.402 2.605 10 10 EFCEHN Cc1cc(CC(=O)N2CC[C@@H](N3CCC3)C2)c(C)n1-c1ccccc1 ZINC000912902057 727759058 /nfs/dbraw/zinc/75/90/58/727759058.db2.gz CVASUVOAONKYMS-HXUWFJFHSA-N 0 3 337.467 2.943 10 10 EFCEHN COc1ccc(O)c(CN2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180530382 729754943 /nfs/dbraw/zinc/75/49/43/729754943.db2.gz UQTGPYMPSUSICV-CQSZACIVSA-N 0 3 336.432 2.890 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cccc(C)n3)CC2)cc1C ZINC001569391021 1085172932 /nfs/dbraw/zinc/17/29/32/1085172932.db2.gz ABTMGTZRPTWKOO-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cnccc3C)CC2)cc1C ZINC001569395445 1085176985 /nfs/dbraw/zinc/17/69/85/1085176985.db2.gz LMJNNGDNBLAWHX-UHFFFAOYSA-N 0 3 339.439 2.759 10 10 EFCEHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC001648054097 1089937292 /nfs/dbraw/zinc/93/72/92/1089937292.db2.gz OAVUYAJZAXEUGZ-NEPJUHHUSA-N 0 3 329.356 2.978 10 10 EFCEHN CC(C)CCO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001586054417 1092669137 /nfs/dbraw/zinc/66/91/37/1092669137.db2.gz ICBYVASOLXWOIW-VQIMIIECSA-N 0 3 349.519 2.923 10 10 EFCEHN CC(C)CCO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001586054415 1092669514 /nfs/dbraw/zinc/66/95/14/1092669514.db2.gz ICBYVASOLXWOIW-QFBILLFUSA-N 0 3 349.519 2.923 10 10 EFCEHN CCN1CCN(c2cccc(NC(=O)c3cccc(F)c3N)c2)CC1 ZINC001617050795 1099209420 /nfs/dbraw/zinc/20/94/20/1099209420.db2.gz KGKWTRTVYBPSEQ-UHFFFAOYSA-N 0 3 342.418 2.802 10 10 EFCEHN CCC(CC)Nc1ccncc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001641616497 1101150761 /nfs/dbraw/zinc/15/07/61/1101150761.db2.gz GGQPJSCAOJUMRK-UHFFFAOYSA-N 0 3 329.400 2.696 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2N)N(C)C)cc1 ZINC001653421169 1101621096 /nfs/dbraw/zinc/62/10/96/1101621096.db2.gz JICKYLVDGWTWJJ-GOSISDBHSA-N 0 3 344.434 2.507 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678821 1103494279 /nfs/dbraw/zinc/49/42/79/1103494279.db2.gz RBCQQAXFYYNYQW-TZMCWYRMSA-N 0 3 347.308 2.684 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678821 1103494287 /nfs/dbraw/zinc/49/42/87/1103494287.db2.gz RBCQQAXFYYNYQW-TZMCWYRMSA-N 0 3 347.308 2.684 10 10 EFCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732951 1103567943 /nfs/dbraw/zinc/56/79/43/1103567943.db2.gz CUXGOMPBVXWTHL-BLLLJJGKSA-N 0 3 346.452 2.729 10 10 EFCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732951 1103567953 /nfs/dbraw/zinc/56/79/53/1103567953.db2.gz CUXGOMPBVXWTHL-BLLLJJGKSA-N 0 3 346.452 2.729 10 10 EFCEHN C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCc1ccsc1 ZINC001662429315 1103696594 /nfs/dbraw/zinc/69/65/94/1103696594.db2.gz HNHUQSMLFCETKD-NSHDSACASA-N 0 3 345.428 2.819 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H](C)[C@H]3CCCO3)CC2)cc1C ZINC001670850492 1104741153 /nfs/dbraw/zinc/74/11/53/1104741153.db2.gz KVGLUAMMNOEUJY-MAUKXSAKSA-N 0 3 346.471 2.557 10 10 EFCEHN CC[C@H](F)CNCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482971171 1105269564 /nfs/dbraw/zinc/26/95/64/1105269564.db2.gz XQIPMMJQUAWHCI-ZDUSSCGKSA-N 0 3 337.399 2.649 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)c2c(C)ccn2C)cc1C ZINC001668790299 1105373077 /nfs/dbraw/zinc/37/30/77/1105373077.db2.gz CTCGIJNBMZQKGX-AATRIKPKSA-N 0 3 341.455 2.726 10 10 EFCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001668877922 1105391864 /nfs/dbraw/zinc/39/18/64/1105391864.db2.gz SBHGHFLXZZILCZ-BWPKMQGJSA-N 0 3 338.398 2.811 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)Cc2occc2C)cc1C ZINC001669033072 1105420859 /nfs/dbraw/zinc/42/08/59/1105420859.db2.gz CSWLWDVICAPNBI-PLNGDYQASA-N 0 3 342.439 2.910 10 10 EFCEHN CCc1ocnc1C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001482992594 1105494340 /nfs/dbraw/zinc/49/43/40/1105494340.db2.gz FQIIYFJCZHQGNM-AATRIKPKSA-N 0 3 343.427 2.630 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1C ZINC001483778714 1112437923 /nfs/dbraw/zinc/43/79/23/1112437923.db2.gz LRZCUCWCQFNDMU-NVXWUHKLSA-N 0 3 346.471 2.557 10 10 EFCEHN Cc1nccc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000184106743 1118930446 /nfs/dbraw/zinc/93/04/46/1118930446.db2.gz CYXHOFRGJRDNOC-UHFFFAOYSA-N 0 3 338.455 2.692 10 10 EFCEHN COc1cc(O)c(CN2CCC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000160263301 239047784 /nfs/dbraw/zinc/04/77/84/239047784.db2.gz ZQFPOEHTSIAPDP-OAHLLOKOSA-N 0 3 331.416 2.751 10 10 EFCEHN COc1ccnc(NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)n1 ZINC000191688858 240003534 /nfs/dbraw/zinc/00/35/34/240003534.db2.gz XPURXLIRUMSSKW-UHFFFAOYSA-N 0 3 328.416 2.576 10 10 EFCEHN Cc1cccc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191806982 240008320 /nfs/dbraw/zinc/00/83/20/240008320.db2.gz UNCNTSNVKMIEIN-KRWDZBQOSA-N 0 3 328.387 2.730 10 10 EFCEHN CCOc1ccc(O)c(CN2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191909519 240011190 /nfs/dbraw/zinc/01/11/90/240011190.db2.gz ZEFMFOAHLNWTAY-UHFFFAOYSA-N 0 3 346.431 2.620 10 10 EFCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c([O-])c1 ZINC000248515201 240290790 /nfs/dbraw/zinc/29/07/90/240290790.db2.gz NYJBKVOHPLOXTO-YTQUADARSA-N 0 3 340.467 2.987 10 10 EFCEHN CCOCc1cc(CNC2(CO)Cc3ccccc3C2)ccc1OC ZINC000361429869 242223294 /nfs/dbraw/zinc/22/32/94/242223294.db2.gz PNRQKMHRGPYFCZ-UHFFFAOYSA-N 0 3 341.451 2.851 10 10 EFCEHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cccc(F)c3)cc2)C1 ZINC000054178972 132190070 /nfs/dbraw/zinc/19/00/70/132190070.db2.gz IZMFPSYAYKLFDM-QGZVFWFLSA-N 0 3 341.430 2.817 10 10 EFCEHN COc1c([O-])c(CN2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365795439 277365013 /nfs/dbraw/zinc/36/50/13/277365013.db2.gz NLLSVCMIYMIWGR-UHFFFAOYSA-N 0 3 349.431 2.617 10 10 EFCEHN COc1cc(Br)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530179164 317071668 /nfs/dbraw/zinc/07/16/68/317071668.db2.gz USORHNPRBHADFP-CYBMUJFWSA-N 0 3 341.249 2.538 10 10 EFCEHN O=C1OCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000077405467 472520259 /nfs/dbraw/zinc/52/02/59/472520259.db2.gz IRRNQGTVUGJSPF-UHFFFAOYSA-N 0 3 326.396 2.991 10 10 EFCEHN C[C@H](NCc1ccncc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825365 472574643 /nfs/dbraw/zinc/57/46/43/472574643.db2.gz JMKKIXUGDPNMEF-HNNXBMFYSA-N 0 3 328.435 2.823 10 10 EFCEHN CCOc1cccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120203611 472649412 /nfs/dbraw/zinc/64/94/12/472649412.db2.gz BIQQUEMQDZDZCA-MRXNPFEDSA-N 0 3 342.443 2.682 10 10 EFCEHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120203611 472649418 /nfs/dbraw/zinc/64/94/18/472649418.db2.gz BIQQUEMQDZDZCA-MRXNPFEDSA-N 0 3 342.443 2.682 10 10 EFCEHN Cn1cc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000131872003 472698331 /nfs/dbraw/zinc/69/83/31/472698331.db2.gz MJMPUOWBVFUFOT-LJQANCHMSA-N 0 3 326.444 2.594 10 10 EFCEHN Cc1nnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)s1 ZINC000091675784 472792070 /nfs/dbraw/zinc/79/20/70/472792070.db2.gz JXLKBHYEJOQPKR-UHFFFAOYSA-N 0 3 343.500 2.991 10 10 EFCEHN CCCN(CCC)c1ccc(CN2CCCN(C(N)=O)CC2)cc1 ZINC000092754288 472979228 /nfs/dbraw/zinc/97/92/28/472979228.db2.gz ATTTYPDUKJMFBO-UHFFFAOYSA-N 0 3 332.492 2.899 10 10 EFCEHN Cc1cc([O-])c(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1C ZINC000093272526 473071394 /nfs/dbraw/zinc/07/13/94/473071394.db2.gz NTTGMQULRFJLIF-UHFFFAOYSA-N 0 3 326.444 2.900 10 10 EFCEHN Cc1cc(NC(=O)C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)no1 ZINC000123400254 473136837 /nfs/dbraw/zinc/13/68/37/473136837.db2.gz ZSELJCATRSUKSG-UHFFFAOYSA-N 0 3 329.400 2.848 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)c1 ZINC000185665296 473482579 /nfs/dbraw/zinc/48/25/79/473482579.db2.gz OLQQAKKGZIPUTI-QZTJIDSGSA-N 0 3 335.444 2.855 10 10 EFCEHN CCOc1cccc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)c1[O-] ZINC000185671146 473485554 /nfs/dbraw/zinc/48/55/54/473485554.db2.gz RWOCLIGVWMFXQH-IRXDYDNUSA-N 0 3 335.444 2.855 10 10 EFCEHN C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cc(F)ccc1[O-] ZINC000186079049 473586324 /nfs/dbraw/zinc/58/63/24/473586324.db2.gz HOUUFABOXCKHKR-ZDUSSCGKSA-N 0 3 344.386 2.998 10 10 EFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293405 473640423 /nfs/dbraw/zinc/64/04/23/473640423.db2.gz FWKDEFFAZYCYEM-STQMWFEESA-N 0 3 330.432 2.781 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180032068 473781242 /nfs/dbraw/zinc/78/12/42/473781242.db2.gz RJOKTWUWQDSPOP-OAHLLOKOSA-N 0 3 338.879 2.898 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180032068 473781248 /nfs/dbraw/zinc/78/12/48/473781248.db2.gz RJOKTWUWQDSPOP-OAHLLOKOSA-N 0 3 338.879 2.898 10 10 EFCEHN Cc1cccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1O ZINC000180083894 473793961 /nfs/dbraw/zinc/79/39/61/473793961.db2.gz WPKULYAOXYXLDB-LJQANCHMSA-N 0 3 326.440 2.552 10 10 EFCEHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1[O-] ZINC000188547327 474125285 /nfs/dbraw/zinc/12/52/85/474125285.db2.gz CPEFQDNVKWSPQQ-JKSUJKDBSA-N 0 3 342.443 2.845 10 10 EFCEHN CCOCc1cc(CN[C@@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000282642914 474139233 /nfs/dbraw/zinc/13/92/33/474139233.db2.gz HFCXILUYNVZKLZ-QGZVFWFLSA-N 0 3 332.444 2.523 10 10 EFCEHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(O)c1O ZINC000182941828 474292810 /nfs/dbraw/zinc/29/28/10/474292810.db2.gz NUCNHRZYXACVJQ-HZPDHXFCSA-N 0 3 326.396 2.581 10 10 EFCEHN COC[C@](C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183159338 474341144 /nfs/dbraw/zinc/34/11/44/474341144.db2.gz CNPKXJFKAIARAC-FQEVSTJZSA-N 0 3 345.439 2.848 10 10 EFCEHN Cc1nccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n1 ZINC000184111958 474473448 /nfs/dbraw/zinc/47/34/48/474473448.db2.gz MWINAHWIVGUHMI-UHFFFAOYSA-N 0 3 334.423 2.966 10 10 EFCEHN COc1cc(Cl)cc(C[NH2+]C2CCC(NC(C)=O)CC2)c1[O-] ZINC000290276552 474564162 /nfs/dbraw/zinc/56/41/62/474564162.db2.gz YPPWCAYYPCTZLW-UHFFFAOYSA-N 0 3 326.824 2.591 10 10 EFCEHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1[O-] ZINC000190331375 474579354 /nfs/dbraw/zinc/57/93/54/474579354.db2.gz ZCWVSUBGXXASBS-JHJVBQTASA-N 0 3 342.233 2.820 10 10 EFCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291025632 474591083 /nfs/dbraw/zinc/59/10/83/474591083.db2.gz ASODTUZJHFILMI-HXUWFJFHSA-N 0 3 327.424 2.927 10 10 EFCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291025632 474591087 /nfs/dbraw/zinc/59/10/87/474591087.db2.gz ASODTUZJHFILMI-HXUWFJFHSA-N 0 3 327.424 2.927 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277629361 474591746 /nfs/dbraw/zinc/59/17/46/474591746.db2.gz MVZJGDJCOQYGHG-UHFFFAOYSA-N 0 3 332.835 2.903 10 10 EFCEHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000277737126 474594463 /nfs/dbraw/zinc/59/44/63/474594463.db2.gz PHPMOOXIXIWEJZ-INIZCTEOSA-N 0 3 344.459 2.591 10 10 EFCEHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)c(C)cc3[O-])C2)n(C)n1 ZINC000277813579 474596812 /nfs/dbraw/zinc/59/68/12/474596812.db2.gz ZCQWHEFUGQXMLX-QGZVFWFLSA-N 0 3 328.460 2.810 10 10 EFCEHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000271858944 474597303 /nfs/dbraw/zinc/59/73/03/474597303.db2.gz VMCVSBGRZDPGEQ-IAGOWNOFSA-N 0 3 335.831 2.928 10 10 EFCEHN CN1CCC(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000273160602 474749488 /nfs/dbraw/zinc/74/94/88/474749488.db2.gz BWPAGMIVKRUFFM-GOSISDBHSA-N 0 3 346.471 2.632 10 10 EFCEHN Cc1ccncc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000279851889 474995503 /nfs/dbraw/zinc/99/55/03/474995503.db2.gz IKEAZKZJNKEXMR-UHFFFAOYSA-N 0 3 329.419 2.780 10 10 EFCEHN CCN1CC[C@H]2OCCN(Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000293719091 475049795 /nfs/dbraw/zinc/04/97/95/475049795.db2.gz TUQNOZJFGRNYCD-LEWJYISDSA-N 0 3 343.515 2.972 10 10 EFCEHN CN(Cc1cccs1)c1ccc(CN2CCOC[C@@H](O)C2)cc1 ZINC000294677533 475078959 /nfs/dbraw/zinc/07/89/59/475078959.db2.gz BIMYBTMZLAJEDU-KRWDZBQOSA-N 0 3 332.469 2.578 10 10 EFCEHN CN(Cc1cccs1)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000294763946 475081632 /nfs/dbraw/zinc/08/16/32/475081632.db2.gz IYSKZWCLDAWFGX-HNNXBMFYSA-N 0 3 344.484 2.627 10 10 EFCEHN CCN(CC)c1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1F ZINC000295133996 475105443 /nfs/dbraw/zinc/10/54/43/475105443.db2.gz OWZMDPMAXSPZOK-OALUTQOASA-N 0 3 335.467 2.577 10 10 EFCEHN CCOc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373975126 476445283 /nfs/dbraw/zinc/44/52/83/476445283.db2.gz GLXXOIZHTZHXDU-DOXZYTNZSA-N 0 3 335.444 2.949 10 10 EFCEHN COc1cccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000374266293 476465330 /nfs/dbraw/zinc/46/53/30/476465330.db2.gz VFASSMAORNOJCN-RHSMWYFYSA-N 0 3 340.423 2.680 10 10 EFCEHN COc1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1O ZINC000374266293 476465338 /nfs/dbraw/zinc/46/53/38/476465338.db2.gz VFASSMAORNOJCN-RHSMWYFYSA-N 0 3 340.423 2.680 10 10 EFCEHN Cc1cc([O-])c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1C ZINC000370040707 476644488 /nfs/dbraw/zinc/64/44/88/476644488.db2.gz MGLCOGBWTHDOFO-UHFFFAOYSA-N 0 3 326.444 2.900 10 10 EFCEHN Cc1cc([O-])c(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1C ZINC000370040707 476644494 /nfs/dbraw/zinc/64/44/94/476644494.db2.gz MGLCOGBWTHDOFO-UHFFFAOYSA-N 0 3 326.444 2.900 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375285665 476757018 /nfs/dbraw/zinc/75/70/18/476757018.db2.gz DSPHGXKJGLEOJT-IBGZPJMESA-N 0 3 325.408 2.928 10 10 EFCEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375285665 476757022 /nfs/dbraw/zinc/75/70/22/476757022.db2.gz DSPHGXKJGLEOJT-IBGZPJMESA-N 0 3 325.408 2.928 10 10 EFCEHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000377046397 477616598 /nfs/dbraw/zinc/61/65/98/477616598.db2.gz LZSAUUSGBCQSLS-OAHLLOKOSA-N 0 3 340.423 2.834 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000368038812 477780571 /nfs/dbraw/zinc/78/05/71/477780571.db2.gz DHLNSQYERXRDNW-LBPRGKRZSA-N 0 3 332.835 2.936 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000368038812 477780576 /nfs/dbraw/zinc/78/05/76/477780576.db2.gz DHLNSQYERXRDNW-LBPRGKRZSA-N 0 3 332.835 2.936 10 10 EFCEHN COc1cc(O)c(CNc2ccc3c(c2)OCCNC3)cc1OC ZINC000530183719 477878013 /nfs/dbraw/zinc/87/80/13/477878013.db2.gz UXAHVZQJZYQHJX-UHFFFAOYSA-N 0 3 330.384 2.504 10 10 EFCEHN [O-]c1c(F)cc(Cl)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248537 477879671 /nfs/dbraw/zinc/87/96/71/477879671.db2.gz LVZSJBDTRVUQJN-HNNXBMFYSA-N 0 3 342.842 2.775 10 10 EFCEHN CCOc1cccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000527804254 478527812 /nfs/dbraw/zinc/52/78/12/478527812.db2.gz CMUYHPJVJDEIMB-INIZCTEOSA-N 0 3 326.396 2.707 10 10 EFCEHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000529644864 479234622 /nfs/dbraw/zinc/23/46/22/479234622.db2.gz PWLNZKAHCHIPEN-KRWDZBQOSA-N 0 3 330.403 2.904 10 10 EFCEHN CC1(C)CN(C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c2cc(F)ccc21 ZINC000662582887 481886331 /nfs/dbraw/zinc/88/63/31/481886331.db2.gz RVXPUUIINNMENR-NSHDSACASA-N 0 3 328.391 2.564 10 10 EFCEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000177541210 529095307 /nfs/dbraw/zinc/09/53/07/529095307.db2.gz XIXALJAQLOMYLC-IBGZPJMESA-N 0 3 342.487 2.689 10 10 EFCEHN Cc1ccc(/C=C/C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cn1 ZINC000754359784 575424939 /nfs/dbraw/zinc/42/49/39/575424939.db2.gz ZTMIIVIALHWMEM-DVQDXYAYSA-N 0 3 337.423 2.759 10 10 EFCEHN COc1ccc2ccc(O)c(CN3CCN4C(=O)OCC[C@@H]4C3)c2c1 ZINC000763313785 576372038 /nfs/dbraw/zinc/37/20/38/576372038.db2.gz JWLATWUEWKAYCN-CQSZACIVSA-N 0 3 342.395 2.581 10 10 EFCEHN C[C@H](N[C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281840 577026792 /nfs/dbraw/zinc/02/67/92/577026792.db2.gz SVDLCIMFBABDAQ-GJZGRUSLSA-N 0 3 337.895 2.921 10 10 EFCEHN CCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c([O-])c1 ZINC000767738701 577231101 /nfs/dbraw/zinc/23/11/01/577231101.db2.gz FYEYVSDPJGWUML-INIZCTEOSA-N 0 3 344.459 2.591 10 10 EFCEHN [O-]c1cc2c(cc1C[NH+]1CCC(c3cccnc3)CC1)[C@H](O)CO2 ZINC000768458598 577275418 /nfs/dbraw/zinc/27/54/18/577275418.db2.gz CRORJHPEVTUUQE-GOSISDBHSA-N 0 3 326.396 2.593 10 10 EFCEHN CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465418 577276203 /nfs/dbraw/zinc/27/62/03/577276203.db2.gz LVNUTUVEZOUPCQ-HNNXBMFYSA-N 0 3 334.441 2.728 10 10 EFCEHN CC(C)[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465418 577276206 /nfs/dbraw/zinc/27/62/06/577276206.db2.gz LVNUTUVEZOUPCQ-HNNXBMFYSA-N 0 3 334.441 2.728 10 10 EFCEHN CCCN(CCC)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cc1 ZINC000769327926 577352493 /nfs/dbraw/zinc/35/24/93/577352493.db2.gz OHURQPGSAKODJB-GOSISDBHSA-N 0 3 333.520 2.811 10 10 EFCEHN Fc1cc(CN2CCC[C@@H]3COCC[C@@H]32)ccc1N1CCOCC1 ZINC000770286533 577410069 /nfs/dbraw/zinc/41/00/69/577410069.db2.gz QQOMALAWEQGNHM-AEFFLSMTSA-N 0 3 334.435 2.663 10 10 EFCEHN CC(C)N(CCF)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691766541 1249586938 /nfs/dbraw/zinc/58/69/38/1249586938.db2.gz BMOTZWVFVXWDGK-UHFFFAOYSA-N 0 3 337.399 2.649 10 10 EFCEHN Cn1ncc(C2CCC2)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000850068957 1250259663 /nfs/dbraw/zinc/25/96/63/1250259663.db2.gz JQINUPLVFHEYGL-UHFFFAOYSA-N 0 3 340.471 2.814 10 10 EFCEHN COc1ccc(N2CC[C@@H](NCc3ncc(CN(C)C)s3)C2)cc1 ZINC000850346545 1250440502 /nfs/dbraw/zinc/44/05/02/1250440502.db2.gz GVHDZUCPGRDPFL-CQSZACIVSA-N 0 3 346.500 2.582 10 10 EFCEHN COc1ccc(N2CC[C@H](N[C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486194 1250502007 /nfs/dbraw/zinc/50/20/07/1250502007.db2.gz AOSUCTNAIZYFJR-MAUKXSAKSA-N 0 3 326.444 2.748 10 10 EFCEHN COc1ccc(N2CC[C@H](N[C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486196 1250502457 /nfs/dbraw/zinc/50/24/57/1250502457.db2.gz AOSUCTNAIZYFJR-YJBOKZPZSA-N 0 3 326.444 2.748 10 10 EFCEHN C[C@@H]1C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000850495886 1250508516 /nfs/dbraw/zinc/50/85/16/1250508516.db2.gz KJNDIDOIDLRVFL-HORDHSCTSA-N 0 3 339.354 2.980 10 10 EFCEHN COc1cccc([C@@H](C)N[C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500050 1250510741 /nfs/dbraw/zinc/51/07/41/1250510741.db2.gz CKFFKSAABSNJAZ-IUODEOHRSA-N 0 3 326.396 2.639 10 10 EFCEHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CC2 ZINC000850555648 1250533375 /nfs/dbraw/zinc/53/33/75/1250533375.db2.gz AMTQEEBFHPXOAK-CGTJXYLNSA-N 0 3 328.456 2.613 10 10 EFCEHN CN(C)c1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1F ZINC000851628041 1251146855 /nfs/dbraw/zinc/14/68/55/1251146855.db2.gz ZTUIJYDLMYUEHI-QGZVFWFLSA-N 0 3 327.403 2.743 10 10 EFCEHN CN(C)c1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1F ZINC000851628040 1251146880 /nfs/dbraw/zinc/14/68/80/1251146880.db2.gz ZTUIJYDLMYUEHI-KRWDZBQOSA-N 0 3 327.403 2.743 10 10 EFCEHN CS(=O)(=O)Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921630527 1257857878 /nfs/dbraw/zinc/85/78/78/1257857878.db2.gz GIXJZVKPHMNUDH-UHFFFAOYSA-N 0 3 345.464 2.846 10 10 EFCEHN O=c1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc[nH]1 ZINC000921745833 1261355108 /nfs/dbraw/zinc/35/51/08/1261355108.db2.gz ZSIYOFOQPYJGAJ-MRXNPFEDSA-N 0 3 347.846 2.900 10 10 EFCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653673 1278220325 /nfs/dbraw/zinc/22/03/25/1278220325.db2.gz FELPEDYFUJBDKX-WQVCFCJDSA-N 0 3 325.836 2.716 10 10 EFCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824653673 1278220333 /nfs/dbraw/zinc/22/03/33/1278220333.db2.gz FELPEDYFUJBDKX-WQVCFCJDSA-N 0 3 325.836 2.716 10 10 EFCEHN CN(C)c1ccc(CNCc2ccnc(-n3ccnc3)c2)cc1F ZINC000733325602 1265169641 /nfs/dbraw/zinc/16/96/41/1265169641.db2.gz MCZSHGHFASCEDL-UHFFFAOYSA-N 0 3 325.391 2.762 10 10 EFCEHN C[N@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000824713998 1278259347 /nfs/dbraw/zinc/25/93/47/1278259347.db2.gz MCNUYDTZHXFGIZ-AWEZNQCLSA-N 0 3 325.250 2.823 10 10 EFCEHN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000824713998 1278259354 /nfs/dbraw/zinc/25/93/54/1278259354.db2.gz MCNUYDTZHXFGIZ-AWEZNQCLSA-N 0 3 325.250 2.823 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000733613386 1265317414 /nfs/dbraw/zinc/31/74/14/1265317414.db2.gz QOCDSCMJGXXCED-MOPGFXCFSA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000733613386 1265317422 /nfs/dbraw/zinc/31/74/22/1265317422.db2.gz QOCDSCMJGXXCED-MOPGFXCFSA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000733613387 1265317693 /nfs/dbraw/zinc/31/76/93/1265317693.db2.gz QOCDSCMJGXXCED-OALUTQOASA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000733613387 1265317702 /nfs/dbraw/zinc/31/77/02/1265317702.db2.gz QOCDSCMJGXXCED-OALUTQOASA-N 0 3 349.471 2.693 10 10 EFCEHN [O-]c1ccccc1C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734846330 1267130050 /nfs/dbraw/zinc/13/00/50/1267130050.db2.gz QZLPQBITYIHVRR-HXUWFJFHSA-N 0 3 326.440 2.509 10 10 EFCEHN COC[C@@H]1CC[N@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000739874913 1268769606 /nfs/dbraw/zinc/76/96/06/1268769606.db2.gz YEZROWXEOBDPMC-CYBMUJFWSA-N 0 3 329.396 2.800 10 10 EFCEHN COC[C@@H]1CC[N@@H+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)C1 ZINC000739874913 1268769612 /nfs/dbraw/zinc/76/96/12/1268769612.db2.gz YEZROWXEOBDPMC-CYBMUJFWSA-N 0 3 329.396 2.800 10 10 EFCEHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972098 1276415594 /nfs/dbraw/zinc/41/55/94/1276415594.db2.gz SXRFMYLBGUTOHJ-ZDMBXUJBSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972097 1276416372 /nfs/dbraw/zinc/41/63/72/1276416372.db2.gz SXRFMYLBGUTOHJ-VYUIOLGVSA-N 0 3 331.229 2.942 10 10 EFCEHN C[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110831 1276465590 /nfs/dbraw/zinc/46/55/90/1276465590.db2.gz AXJKBTJFTVDRTR-QAPCUYQASA-N 0 3 345.487 2.573 10 10 EFCEHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361514 1276519433 /nfs/dbraw/zinc/51/94/33/1276519433.db2.gz KDPYXZYYNVJABV-BBRMVZONSA-N 0 3 347.434 2.614 10 10 EFCEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362597 1276520349 /nfs/dbraw/zinc/52/03/49/1276520349.db2.gz YBAKHDBKQZUGFI-MAUKXSAKSA-N 0 3 343.471 2.865 10 10 EFCEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790941 1279153601 /nfs/dbraw/zinc/15/36/01/1279153601.db2.gz VMBMIWVVBRUFOD-AAEUAGOBSA-N 0 3 343.393 2.857 10 10 EFCEHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCc2ccccc21 ZINC000844742228 1279211356 /nfs/dbraw/zinc/21/13/56/1279211356.db2.gz NTKMLANUTDKECB-DJJJIMSYSA-N 0 3 325.408 2.980 10 10 EFCEHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCc2ccccc21 ZINC000844742228 1279211362 /nfs/dbraw/zinc/21/13/62/1279211362.db2.gz NTKMLANUTDKECB-DJJJIMSYSA-N 0 3 325.408 2.980 10 10 EFCEHN COc1ccc(O)c([C@@H](C)NCc2cnnn2Cc2ccccc2)c1 ZINC000845970860 1279946967 /nfs/dbraw/zinc/94/69/67/1279946967.db2.gz DKESJUWDOKFMOM-CQSZACIVSA-N 0 3 338.411 2.891 10 10 EFCEHN CCOc1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c([O-])c1 ZINC000846011700 1279975831 /nfs/dbraw/zinc/97/58/31/1279975831.db2.gz ONERKZSKECXFAA-HXUWFJFHSA-N 0 3 327.424 2.757 10 10 EFCEHN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846047220 1280000923 /nfs/dbraw/zinc/00/09/23/1280000923.db2.gz LNDQTVKRMYLRPD-ZWKOTPCHSA-N 0 3 343.423 2.553 10 10 EFCEHN COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000846047220 1280000929 /nfs/dbraw/zinc/00/09/29/1280000929.db2.gz LNDQTVKRMYLRPD-ZWKOTPCHSA-N 0 3 343.423 2.553 10 10 EFCEHN C[C@@H](NCc1ccc(-c2nncnn2)cc1)c1ccc(N(C)C)cc1 ZINC000846207724 1280055441 /nfs/dbraw/zinc/05/54/41/1280055441.db2.gz CDQOTINWOSYYRE-CQSZACIVSA-N 0 3 334.427 2.850 10 10 EFCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000846194042 1280066429 /nfs/dbraw/zinc/06/64/29/1280066429.db2.gz QWGSJAXCZGIFRP-IAQYHMDHSA-N 0 3 344.249 2.655 10 10 EFCEHN COc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)c(O)c1 ZINC000794383380 1280164873 /nfs/dbraw/zinc/16/48/73/1280164873.db2.gz LSPRPIGNZBIADT-UHFFFAOYSA-N 0 3 340.423 2.927 10 10 EFCEHN C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001175419196 1287422389 /nfs/dbraw/zinc/42/23/89/1287422389.db2.gz SSABSAUCCRVQOF-LBPRGKRZSA-N 0 3 329.356 2.980 10 10 EFCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000808718114 1281871952 /nfs/dbraw/zinc/87/19/52/1281871952.db2.gz LZTHTSPZUCQCRE-MNOVXSKESA-N 0 3 331.865 2.970 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000809690276 1282374055 /nfs/dbraw/zinc/37/40/55/1282374055.db2.gz MCHWHUUHZWNIHO-GFCCVEGCSA-N 0 3 330.350 2.673 10 10 EFCEHN O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000809690276 1282374063 /nfs/dbraw/zinc/37/40/63/1282374063.db2.gz MCHWHUUHZWNIHO-GFCCVEGCSA-N 0 3 330.350 2.673 10 10 EFCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000816955333 1288340468 /nfs/dbraw/zinc/34/04/68/1288340468.db2.gz ZKXRJGRCFZQXLK-GOEBONIOSA-N 0 3 329.469 2.932 10 10 EFCEHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC001135800472 1288391005 /nfs/dbraw/zinc/39/10/05/1288391005.db2.gz HCAFZGSLYPZJFF-LJQANCHMSA-N 0 3 327.472 2.872 10 10 EFCEHN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC001135800467 1288391598 /nfs/dbraw/zinc/39/15/98/1288391598.db2.gz HCAFZGSLYPZJFF-IBGZPJMESA-N 0 3 327.472 2.872 10 10 EFCEHN CC(C)[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](O)CO ZINC000817417900 1288593671 /nfs/dbraw/zinc/59/36/71/1288593671.db2.gz SRITZUMTGDGTIP-SFHVURJKSA-N 0 3 345.439 2.535 10 10 EFCEHN CC(C)[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](O)CO ZINC000817417900 1288593676 /nfs/dbraw/zinc/59/36/76/1288593676.db2.gz SRITZUMTGDGTIP-SFHVURJKSA-N 0 3 345.439 2.535 10 10 EFCEHN CCOc1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c([O-])c1 ZINC000822525887 1289009428 /nfs/dbraw/zinc/00/94/28/1289009428.db2.gz PGLCZOUNNKKGGX-LJQANCHMSA-N 0 3 349.471 2.838 10 10 EFCEHN Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c([O-])c1O ZINC001180534982 1289553285 /nfs/dbraw/zinc/55/32/85/1289553285.db2.gz VKNWWKLMQJAIFE-HOCLYGCPSA-N 0 3 332.444 2.741 10 10 EFCEHN CCN(CC)c1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1F ZINC000824451160 1289655506 /nfs/dbraw/zinc/65/55/06/1289655506.db2.gz KPOYOZGWWIZCEL-MRXNPFEDSA-N 0 3 349.450 2.946 10 10 EFCEHN COc1cccc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636520 1289734144 /nfs/dbraw/zinc/73/41/44/1289734144.db2.gz RLDJQXVAWRRYFP-VQIMIIECSA-N 0 3 331.387 2.701 10 10 EFCEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000249271505 1291332836 /nfs/dbraw/zinc/33/28/36/1291332836.db2.gz JFKCHRIWHWFGFU-KBPBESRZSA-N 0 3 333.350 2.687 10 10 EFCEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000249271505 1291332844 /nfs/dbraw/zinc/33/28/44/1291332844.db2.gz JFKCHRIWHWFGFU-KBPBESRZSA-N 0 3 333.350 2.687 10 10 EFCEHN C[N@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CN2CCC1CC2 ZINC000691675290 1291551401 /nfs/dbraw/zinc/55/14/01/1291551401.db2.gz IMASHLOTMVMDDG-CQSZACIVSA-N 0 3 325.250 2.681 10 10 EFCEHN C[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H]1CN2CCC1CC2 ZINC000691675290 1291551415 /nfs/dbraw/zinc/55/14/15/1291551415.db2.gz IMASHLOTMVMDDG-CQSZACIVSA-N 0 3 325.250 2.681 10 10 EFCEHN CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)c([O-])c1 ZINC000775347726 1291989703 /nfs/dbraw/zinc/98/97/03/1291989703.db2.gz QPFMRWNUFLAELX-HIFRSBDPSA-N 0 3 336.432 2.747 10 10 EFCEHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCC23CC3)N(C)C)cc1 ZINC001234168873 1313072735 /nfs/dbraw/zinc/07/27/35/1313072735.db2.gz CVKCPSRPQFJIGD-ZWKOTPCHSA-N 0 3 344.503 2.987 10 10 EFCEHN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NOCCN(C)C)c1 ZINC001299344971 1295297176 /nfs/dbraw/zinc/29/71/76/1295297176.db2.gz XNRPMJIYYFSMPS-UHFFFAOYSA-N 0 3 335.835 2.971 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001274222975 1295594593 /nfs/dbraw/zinc/59/45/93/1295594593.db2.gz YPQHBZQWOFTSRN-PTUVJSPFSA-N 0 3 328.456 2.956 10 10 EFCEHN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903957343 1313487202 /nfs/dbraw/zinc/48/72/02/1313487202.db2.gz PYEQQGSKSTYKTR-LLVKDONJSA-N 0 3 349.219 2.798 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1[O-] ZINC000853566211 1300170554 /nfs/dbraw/zinc/17/05/54/1300170554.db2.gz NBRAWLNCHIWSML-VBKZILBWSA-N 0 3 341.407 2.800 10 10 EFCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1[O-] ZINC000853566211 1300170562 /nfs/dbraw/zinc/17/05/62/1300170562.db2.gz NBRAWLNCHIWSML-VBKZILBWSA-N 0 3 341.407 2.800 10 10 EFCEHN CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853583610 1300177858 /nfs/dbraw/zinc/17/78/58/1300177858.db2.gz UOFIPRPKUACKFF-OAHLLOKOSA-N 0 3 327.428 2.733 10 10 EFCEHN CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000853583610 1300177861 /nfs/dbraw/zinc/17/78/61/1300177861.db2.gz UOFIPRPKUACKFF-OAHLLOKOSA-N 0 3 327.428 2.733 10 10 EFCEHN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000859758688 1301565578 /nfs/dbraw/zinc/56/55/78/1301565578.db2.gz CYQRSKPKSUZRNH-UHFFFAOYSA-N 0 3 340.427 2.556 10 10 EFCEHN CCN1CCN(c2ccc(CNCc3oc(C)nc3C)cc2F)CC1 ZINC000862277896 1302327342 /nfs/dbraw/zinc/32/73/42/1302327342.db2.gz PCYIKUNUBSOBLU-UHFFFAOYSA-N 0 3 346.450 2.862 10 10 EFCEHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000862385544 1302360522 /nfs/dbraw/zinc/36/05/22/1302360522.db2.gz NWOLMFFVDRMHBV-DOMZBBRYSA-N 0 3 326.387 2.852 10 10 EFCEHN C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1[O-] ZINC000866575631 1303694860 /nfs/dbraw/zinc/69/48/60/1303694860.db2.gz UVZNLTNNSPPNMK-CQSZACIVSA-N 0 3 325.412 2.768 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCN2C)c1[O-] ZINC000903317457 1312564946 /nfs/dbraw/zinc/56/49/46/1312564946.db2.gz TYODKBHZAAXIGJ-MWLCHTKSSA-N 0 3 329.238 2.518 10 10 EFCEHN COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179742173 1314714677 /nfs/dbraw/zinc/71/46/77/1314714677.db2.gz YSXRLXCBUQIOLQ-CYBMUJFWSA-N 0 3 336.432 2.747 10 10 EFCEHN COc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000179742173 1314714682 /nfs/dbraw/zinc/71/46/82/1314714682.db2.gz YSXRLXCBUQIOLQ-CYBMUJFWSA-N 0 3 336.432 2.747 10 10 EFCEHN COc1ccc(N2CCN(Cc3ccc(OC)cc3O)CC2)cc1 ZINC000179943097 1314721707 /nfs/dbraw/zinc/72/17/07/1314721707.db2.gz QDSILHXLBQJLPK-UHFFFAOYSA-N 0 3 328.412 2.732 10 10 EFCEHN COc1cc(Br)cc(CN2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000827151802 1315602018 /nfs/dbraw/zinc/60/20/18/1315602018.db2.gz KBXVCDURYGDOSD-NXEZZACHSA-N 0 3 344.249 2.612 10 10 EFCEHN CC(C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CCCCC1 ZINC001293952535 1322384913 /nfs/dbraw/zinc/38/49/13/1322384913.db2.gz CITCMMYTLIMBSM-LJQANCHMSA-N 0 3 345.487 2.989 10 10 EFCEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297465096 1323225983 /nfs/dbraw/zinc/22/59/83/1323225983.db2.gz ANPSYAQTRBOKBX-AWEZNQCLSA-N 0 3 331.420 2.699 10 10 EFCEHN CN1c2ccccc2C[C@H](NCc2ccc(N3CCCC3)cc2)C1=O ZINC001347357387 1332737464 /nfs/dbraw/zinc/73/74/64/1332737464.db2.gz QXWNFNJEPKLSQI-IBGZPJMESA-N 0 3 335.451 2.964 10 10 EFCEHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1C1CCCC1 ZINC001352970926 1333839014 /nfs/dbraw/zinc/83/90/14/1333839014.db2.gz UONXZZLVAUDTST-CYBMUJFWSA-N 0 3 343.431 2.938 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1[O-] ZINC000848527449 1334775458 /nfs/dbraw/zinc/77/54/58/1334775458.db2.gz AXCHLZJVOQRTQF-VFZGTOFNSA-N 0 3 344.249 2.975 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CCO)c1[O-] ZINC000848531416 1334777512 /nfs/dbraw/zinc/77/75/12/1334777512.db2.gz ODOJXUTXMGKLIA-NXEZZACHSA-N 0 3 332.238 2.832 10 10 EFCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000848531418 1334777345 /nfs/dbraw/zinc/77/73/45/1334777345.db2.gz ODOJXUTXMGKLIA-VHSXEESVSA-N 0 3 332.238 2.832 10 10 EFCEHN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848532920 1334780110 /nfs/dbraw/zinc/78/01/10/1334780110.db2.gz MNJXVNPMTMTNHF-ONGXEEELSA-N 0 3 332.238 2.975 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1[O-] ZINC000848544789 1334786843 /nfs/dbraw/zinc/78/68/43/1334786843.db2.gz OLSRIKRVCGFROY-UTLUCORTSA-N 0 3 332.238 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000848546555 1334787633 /nfs/dbraw/zinc/78/76/33/1334787633.db2.gz BCBNUHZEAGSXFD-CKLFPEKLSA-N 0 3 344.249 2.973 10 10 EFCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CCF)c1[O-] ZINC000848555351 1334792793 /nfs/dbraw/zinc/79/27/93/1334792793.db2.gz AKOQOTRDPBANGC-WCBMZHEXSA-N 0 3 336.201 2.534 10 10 EFCEHN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCCN(C)C1 ZINC001464984247 1396637876 /nfs/dbraw/zinc/63/78/76/1396637876.db2.gz ZTDRRCJIHNTQJA-QGZVFWFLSA-N 0 3 339.439 2.731 10 10 EFCEHN O=C(C1=CC(=O)CS1)N1CCN(c2ccnc3ccccc32)CC1 ZINC001467964903 1396914807 /nfs/dbraw/zinc/91/48/07/1396914807.db2.gz UVTXBJTXTDQRQZ-UHFFFAOYSA-N 0 3 339.420 2.964 10 10 EFCEHN CCO[C@@H](CN1CCN(c2ccc(OC)cc2OC)CC1)C1CC1 ZINC001473731788 1397326533 /nfs/dbraw/zinc/32/65/33/1397326533.db2.gz GVEOPTVUSBPRPC-IBGZPJMESA-N 0 3 334.460 2.641 10 10 EFCEHN CC[C@@H](F)CN(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001479815732 1397910501 /nfs/dbraw/zinc/91/05/01/1397910501.db2.gz IHXWWHBIEBRYCN-CYBMUJFWSA-N 0 3 337.399 2.649 10 10 EFCEHN CCc1oncc1C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001497694903 1401559187 /nfs/dbraw/zinc/55/91/87/1401559187.db2.gz XGCSGYHOOPMYKA-AATRIKPKSA-N 0 3 343.427 2.630 10 10 EFCEHN COc1ccc(CNC2(CNC(=O)c3cc(C)co3)CC2)cc1C ZINC001499324607 1402566024 /nfs/dbraw/zinc/56/60/24/1402566024.db2.gz BMUKIIYBXSXNQW-UHFFFAOYSA-N 0 3 328.412 2.957 10 10 EFCEHN CC[C@H](F)CNC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322602 1416476572 /nfs/dbraw/zinc/47/65/72/1416476572.db2.gz OXUPUXZBYDIGHG-YPMHNXCESA-N 0 3 337.399 2.647 10 10 EFCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C3(C)CC3)CC2)N(C)C)cc1 ZINC001684608024 1416724630 /nfs/dbraw/zinc/72/46/30/1416724630.db2.gz YVTYKIZTLSKLSJ-QGZVFWFLSA-N 0 3 344.503 2.987 10 10 EFCEHN CN1CCCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001685617980 1416769155 /nfs/dbraw/zinc/76/91/55/1416769155.db2.gz ZICUDLQNKYPYGN-HNNXBMFYSA-N 0 3 331.460 2.555 10 10 EFCEHN CCC1(C(=O)NC[C@H](CO)NCc2ccc(OC)c(C)c2)CCCC1 ZINC001700825339 1417659103 /nfs/dbraw/zinc/65/91/03/1417659103.db2.gz PSNHUTULAPEOSI-QGZVFWFLSA-N 0 3 348.487 2.541 10 10 EFCEHN CCC1(C(=O)NC[C@@H](CO)NCc2ccc(OC)c(C)c2)CCCC1 ZINC001700825338 1417659167 /nfs/dbraw/zinc/65/91/67/1417659167.db2.gz PSNHUTULAPEOSI-KRWDZBQOSA-N 0 3 348.487 2.541 10 10 EFCEHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001715862390 1418692222 /nfs/dbraw/zinc/69/22/22/1418692222.db2.gz LEGCDAGXHGLEEV-GOWPUTTJSA-N 0 3 328.456 2.812 10 10 EFCEHN C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580877 1425665968 /nfs/dbraw/zinc/66/59/68/1425665968.db2.gz ADKSOIOVYHVDBR-XPLRPXJUSA-N 0 3 349.822 2.794 10 10 EFCEHN CCNc1nc(NCc2ccc(OC)cc2O)nc(NC(C)(C)C)n1 ZINC000804681790 713408996 /nfs/dbraw/zinc/40/89/96/713408996.db2.gz DNPWUDQTESEKDS-UHFFFAOYSA-N 0 3 346.435 2.840 10 10 EFCEHN CC[C@H](CO)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093739772 716229895 /nfs/dbraw/zinc/22/98/95/716229895.db2.gz HWXPUVFSFPMYKP-LJQANCHMSA-N 0 3 331.504 2.565 10 10 EFCEHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCN1C ZINC000917524129 728750754 /nfs/dbraw/zinc/75/07/54/728750754.db2.gz WNTAAWAOZLXNGG-APWZRJJASA-N 0 3 344.503 2.815 10 10 EFCEHN COC(=O)c1c(CN(C)CC(C)(C)CO)c2cc(F)ccc2n1C ZINC000894882031 722937895 /nfs/dbraw/zinc/93/78/95/722937895.db2.gz UGLOHNRBROQEIZ-UHFFFAOYSA-N 0 3 336.407 2.554 10 10 EFCEHN COc1cc(C)cc(CNC[C@H](n2cccn2)C(F)(F)F)c1O ZINC000895387751 724101400 /nfs/dbraw/zinc/10/14/00/724101400.db2.gz FCFLQYPQAGRJNC-ZDUSSCGKSA-N 0 3 329.322 2.799 10 10 EFCEHN C[C@H]1CCCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895740090 724289268 /nfs/dbraw/zinc/28/92/68/724289268.db2.gz NRVCGQJRAWFXOD-NSHDSACASA-N 0 3 334.441 2.774 10 10 EFCEHN COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C2)cc1 ZINC000912292898 727689148 /nfs/dbraw/zinc/68/91/48/727689148.db2.gz PYWDGDDXEFPBFS-MRXNPFEDSA-N 0 3 345.487 2.655 10 10 EFCEHN Cc1cc(C)c(O)c(CN2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000164378912 727938153 /nfs/dbraw/zinc/93/81/53/727938153.db2.gz ZCBSRNUUAMAKPV-FQEVSTJZSA-N 0 3 340.467 2.860 10 10 EFCEHN c1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000157525314 728157608 /nfs/dbraw/zinc/15/76/08/728157608.db2.gz QUKDDBLUFWDESG-UHFFFAOYSA-N 0 3 337.467 2.845 10 10 EFCEHN