smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000184700961 455431716 /nfs/dbraw/zinc/43/17/16/455431716.db2.gz CVTGDKBZTKGMLQ-OAHLLOKOSA-N 2 1 335.835 3.224 10 10 EGCEMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000184700961 455431723 /nfs/dbraw/zinc/43/17/23/455431723.db2.gz CVTGDKBZTKGMLQ-OAHLLOKOSA-N 2 1 335.835 3.224 10 10 EGCEMP CC(=O)c1cc(F)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000171138534 455036097 /nfs/dbraw/zinc/03/60/97/455036097.db2.gz LEHGAXHNGICMRM-UHFFFAOYSA-N 2 1 334.435 3.042 10 10 EGCEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557163 1390134847 /nfs/dbraw/zinc/13/48/47/1390134847.db2.gz XTAIPTJEWZTNNJ-NRSPTQNISA-N 2 1 343.515 3.148 10 10 EGCEMP COc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000180031445 1294854019 /nfs/dbraw/zinc/85/40/19/1294854019.db2.gz DRYQMYZFDSCKTJ-QGZVFWFLSA-N 2 1 332.488 3.489 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646365 1329570172 /nfs/dbraw/zinc/57/01/72/1329570172.db2.gz RWKGDZGPWUONRF-WCQYABFASA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646365 1329570174 /nfs/dbraw/zinc/57/01/74/1329570174.db2.gz RWKGDZGPWUONRF-WCQYABFASA-N 2 1 336.785 3.313 10 10 EGCEMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CC=CCC1 ZINC001320208219 1386558172 /nfs/dbraw/zinc/55/81/72/1386558172.db2.gz GYTWPNYSSJWESY-KRWDZBQOSA-N 2 1 331.479 3.366 10 10 EGCEMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CC=CCC1 ZINC001320208219 1386558176 /nfs/dbraw/zinc/55/81/76/1386558176.db2.gz GYTWPNYSSJWESY-KRWDZBQOSA-N 2 1 331.479 3.366 10 10 EGCEMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645729 1329570101 /nfs/dbraw/zinc/57/01/01/1329570101.db2.gz LZHOTLFEPNNHNN-PWSUYJOCSA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645729 1329570102 /nfs/dbraw/zinc/57/01/02/1329570102.db2.gz LZHOTLFEPNNHNN-PWSUYJOCSA-N 2 1 336.785 3.313 10 10 EGCEMP CC(C)Cn1cc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117109959 1371012343 /nfs/dbraw/zinc/01/23/43/1371012343.db2.gz PAKPPXHNRSRDNX-UHFFFAOYSA-N 2 1 345.466 3.042 10 10 EGCEMP Cc1nc(C[NH2+][C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000071825378 203120591 /nfs/dbraw/zinc/12/05/91/203120591.db2.gz MPRAQSUUAASIKQ-CQSZACIVSA-N 2 1 330.501 3.054 10 10 EGCEMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631124 1297535560 /nfs/dbraw/zinc/53/55/60/1297535560.db2.gz RBPOZVUYNGWLDG-YJBOKZPZSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631124 1297535566 /nfs/dbraw/zinc/53/55/66/1297535566.db2.gz RBPOZVUYNGWLDG-YJBOKZPZSA-N 2 1 326.440 3.241 10 10 EGCEMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245708937 455361802 /nfs/dbraw/zinc/36/18/02/455361802.db2.gz CECAYSRYVVMZEW-MAUKXSAKSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000245708937 455361806 /nfs/dbraw/zinc/36/18/06/455361806.db2.gz CECAYSRYVVMZEW-MAUKXSAKSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000245708937 455361811 /nfs/dbraw/zinc/36/18/11/455361811.db2.gz CECAYSRYVVMZEW-MAUKXSAKSA-N 2 1 330.472 3.240 10 10 EGCEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244383 454958360 /nfs/dbraw/zinc/95/83/60/454958360.db2.gz VIALHGFCRCOJGX-GHTZIAJQSA-N 2 1 345.531 3.174 10 10 EGCEMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000180423189 455166931 /nfs/dbraw/zinc/16/69/31/455166931.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 2 1 341.293 3.378 10 10 EGCEMP Cc1cc(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000180423189 455166936 /nfs/dbraw/zinc/16/69/36/455166936.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 2 1 341.293 3.378 10 10 EGCEMP Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180423189 455166940 /nfs/dbraw/zinc/16/69/40/455166940.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 2 1 341.293 3.378 10 10 EGCEMP Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180423189 455166943 /nfs/dbraw/zinc/16/69/43/455166943.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 2 1 341.293 3.378 10 10 EGCEMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000379633980 1297534850 /nfs/dbraw/zinc/53/48/50/1297534850.db2.gz UXHRFTCOQXELOA-CRAIPNDOSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC000379633980 1297534859 /nfs/dbraw/zinc/53/48/59/1297534859.db2.gz UXHRFTCOQXELOA-CRAIPNDOSA-N 2 1 326.440 3.241 10 10 EGCEMP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813288 454639319 /nfs/dbraw/zinc/63/93/19/454639319.db2.gz LANZWFSVWMBBOY-OAHLLOKOSA-N 2 1 327.428 3.038 10 10 EGCEMP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813288 454639323 /nfs/dbraw/zinc/63/93/23/454639323.db2.gz LANZWFSVWMBBOY-OAHLLOKOSA-N 2 1 327.428 3.038 10 10 EGCEMP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813351 454640514 /nfs/dbraw/zinc/64/05/14/454640514.db2.gz PTBVDPYRBJJADF-MRXNPFEDSA-N 2 1 341.455 3.428 10 10 EGCEMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813351 454640521 /nfs/dbraw/zinc/64/05/21/454640521.db2.gz PTBVDPYRBJJADF-MRXNPFEDSA-N 2 1 341.455 3.428 10 10 EGCEMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247245294 455578335 /nfs/dbraw/zinc/57/83/35/455578335.db2.gz WYWNARJQEWQEJJ-HNAYVOBHSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247245294 455578341 /nfs/dbraw/zinc/57/83/41/455578341.db2.gz WYWNARJQEWQEJJ-HNAYVOBHSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247245294 455578343 /nfs/dbraw/zinc/57/83/43/455578343.db2.gz WYWNARJQEWQEJJ-HNAYVOBHSA-N 2 1 330.472 3.240 10 10 EGCEMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645730 1329570115 /nfs/dbraw/zinc/57/01/15/1329570115.db2.gz LZHOTLFEPNNHNN-ZYHUDNBSSA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645730 1329570117 /nfs/dbraw/zinc/57/01/17/1329570117.db2.gz LZHOTLFEPNNHNN-ZYHUDNBSSA-N 2 1 336.785 3.313 10 10 EGCEMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000379636852 1297536231 /nfs/dbraw/zinc/53/62/31/1297536231.db2.gz XXDUHRNFWYANHZ-YJBOKZPZSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000379636852 1297536237 /nfs/dbraw/zinc/53/62/37/1297536237.db2.gz XXDUHRNFWYANHZ-YJBOKZPZSA-N 2 1 326.440 3.241 10 10 EGCEMP C[N@H+](Cc1ccc(F)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320476515 1386621437 /nfs/dbraw/zinc/62/14/37/1386621437.db2.gz YXGGJSGEOUDZHY-UHFFFAOYSA-N 2 1 345.437 3.349 10 10 EGCEMP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320476515 1386621439 /nfs/dbraw/zinc/62/14/39/1386621439.db2.gz YXGGJSGEOUDZHY-UHFFFAOYSA-N 2 1 345.437 3.349 10 10 EGCEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244318 454958298 /nfs/dbraw/zinc/95/82/98/454958298.db2.gz VIALHGFCRCOJGX-NQIIRXRSSA-N 2 1 345.531 3.174 10 10 EGCEMP CCc1nc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC001164317763 1383177270 /nfs/dbraw/zinc/17/72/70/1383177270.db2.gz HFQABCJHKRJVGV-QGZVFWFLSA-N 2 1 327.476 3.128 10 10 EGCEMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CC=CCC1 ZINC001320208220 1386558289 /nfs/dbraw/zinc/55/82/89/1386558289.db2.gz GYTWPNYSSJWESY-QGZVFWFLSA-N 2 1 331.479 3.366 10 10 EGCEMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CC=CCC1 ZINC001320208220 1386558294 /nfs/dbraw/zinc/55/82/94/1386558294.db2.gz GYTWPNYSSJWESY-QGZVFWFLSA-N 2 1 331.479 3.366 10 10 EGCEMP CCN(CC)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000179517731 455053697 /nfs/dbraw/zinc/05/36/97/455053697.db2.gz SPLFCJFOYUVRDZ-SFHVURJKSA-N 2 1 347.547 3.057 10 10 EGCEMP COc1ccc(N2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923323254 1322733861 /nfs/dbraw/zinc/73/38/61/1322733861.db2.gz WESMHYXVLOFIMG-YQQQUEKLSA-N 2 1 343.515 3.128 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCF)C3)cc2F)CC1 ZINC001330375020 1389400785 /nfs/dbraw/zinc/40/07/85/1389400785.db2.gz RQILYNBOZWQTTA-INIZCTEOSA-N 2 1 337.458 3.149 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCF)C3)cc2F)CC1 ZINC001330375020 1389400788 /nfs/dbraw/zinc/40/07/88/1389400788.db2.gz RQILYNBOZWQTTA-INIZCTEOSA-N 2 1 337.458 3.149 10 10 EGCEMP CCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001332610017 1390140642 /nfs/dbraw/zinc/14/06/42/1390140642.db2.gz FYKLFPBANSIDAB-UHFFFAOYSA-N 2 1 341.474 3.430 10 10 EGCEMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215567 458719608 /nfs/dbraw/zinc/71/96/08/458719608.db2.gz HNOQKZMFUFUJQX-HIFRSBDPSA-N 2 1 339.277 3.480 10 10 EGCEMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215571 458719777 /nfs/dbraw/zinc/71/97/77/458719777.db2.gz HNOQKZMFUFUJQX-ZFWWWQNUSA-N 2 1 339.277 3.480 10 10 EGCEMP Oc1ccc(Br)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000236614575 1296192126 /nfs/dbraw/zinc/19/21/26/1296192126.db2.gz IBOUTCJWBWJGCK-GFCCVEGCSA-N 2 1 339.277 3.119 10 10 EGCEMP C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000379636850 1297534439 /nfs/dbraw/zinc/53/44/39/1297534439.db2.gz XXDUHRNFWYANHZ-MAUKXSAKSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000379636850 1297534444 /nfs/dbraw/zinc/53/44/44/1297534444.db2.gz XXDUHRNFWYANHZ-MAUKXSAKSA-N 2 1 326.440 3.241 10 10 EGCEMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858121938 1328688860 /nfs/dbraw/zinc/68/88/60/1328688860.db2.gz CUZGHWGULXGXQO-QGZVFWFLSA-N 2 1 331.504 3.126 10 10 EGCEMP COC1CCN(c2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118269 455840621 /nfs/dbraw/zinc/84/06/21/455840621.db2.gz WJQHMBXHSIVBRV-PXNSSMCTSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118269 455840624 /nfs/dbraw/zinc/84/06/24/455840624.db2.gz WJQHMBXHSIVBRV-PXNSSMCTSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118269 455840627 /nfs/dbraw/zinc/84/06/27/455840627.db2.gz WJQHMBXHSIVBRV-PXNSSMCTSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118269 455840631 /nfs/dbraw/zinc/84/06/31/455840631.db2.gz WJQHMBXHSIVBRV-PXNSSMCTSA-N 2 1 345.531 3.216 10 10 EGCEMP Oc1ccc(Br)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000236614664 1296191891 /nfs/dbraw/zinc/19/18/91/1296191891.db2.gz IBOUTCJWBWJGCK-LBPRGKRZSA-N 2 1 339.277 3.119 10 10 EGCEMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927039513 1327827746 /nfs/dbraw/zinc/82/77/46/1327827746.db2.gz UUWGTXMABMXUEC-GPWPYBQESA-N 2 1 346.471 3.236 10 10 EGCEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557160 1390134713 /nfs/dbraw/zinc/13/47/13/1390134713.db2.gz XTAIPTJEWZTNNJ-GIVPXCGWSA-N 2 1 343.515 3.148 10 10 EGCEMP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530217236 458719312 /nfs/dbraw/zinc/71/93/12/458719312.db2.gz SJPAETLHJXJWTF-BXUZGUMPSA-N 2 1 339.277 3.398 10 10 EGCEMP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631121 1297535105 /nfs/dbraw/zinc/53/51/05/1297535105.db2.gz RBPOZVUYNGWLDG-MAUKXSAKSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631121 1297535109 /nfs/dbraw/zinc/53/51/09/1297535109.db2.gz RBPOZVUYNGWLDG-MAUKXSAKSA-N 2 1 326.440 3.241 10 10 EGCEMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCCCO1 ZINC001118390577 1371172082 /nfs/dbraw/zinc/17/20/82/1371172082.db2.gz VWQLPNDZUOQGKW-UYAOXDASSA-N 2 1 349.494 3.015 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCC(F)CC3)cc2F)CC1 ZINC001326216295 1388128651 /nfs/dbraw/zinc/12/86/51/1388128651.db2.gz JVZKDJLRTGHFBY-UHFFFAOYSA-N 2 1 337.458 3.195 10 10 EGCEMP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530217248 458719425 /nfs/dbraw/zinc/71/94/25/458719425.db2.gz SJPAETLHJXJWTF-RISCZKNCSA-N 2 1 339.277 3.398 10 10 EGCEMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCCO1 ZINC001118390573 1371171868 /nfs/dbraw/zinc/17/18/68/1371171868.db2.gz VWQLPNDZUOQGKW-ICSRJNTNSA-N 2 1 349.494 3.015 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3)cc2F)CC1 ZINC001329415135 1389103028 /nfs/dbraw/zinc/10/30/28/1389103028.db2.gz SYRGTPSIJUQFTQ-CALCHBBNSA-N 2 1 349.494 3.013 10 10 EGCEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187023463 455863328 /nfs/dbraw/zinc/86/33/28/455863328.db2.gz DOKJEARMMWESHG-STQMWFEESA-N 2 1 341.293 3.456 10 10 EGCEMP CCOCc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)ccc1OC ZINC000527804731 459741460 /nfs/dbraw/zinc/74/14/60/459741460.db2.gz AKRRLMKGQSIBJG-LJQANCHMSA-N 2 1 332.488 3.338 10 10 EGCEMP CCOCc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)ccc1OC ZINC000527804731 459741465 /nfs/dbraw/zinc/74/14/65/459741465.db2.gz AKRRLMKGQSIBJG-LJQANCHMSA-N 2 1 332.488 3.338 10 10 EGCEMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108397 1328684881 /nfs/dbraw/zinc/68/48/81/1328684881.db2.gz FGVKNYWYPWIKSJ-AEFFLSMTSA-N 2 1 331.504 3.047 10 10 EGCEMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108399 1328684983 /nfs/dbraw/zinc/68/49/83/1328684983.db2.gz FGVKNYWYPWIKSJ-SJLPKXTDSA-N 2 1 331.504 3.047 10 10 EGCEMP CC[N@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248797 1329471005 /nfs/dbraw/zinc/47/10/05/1329471005.db2.gz SEADOZBPZXGHCY-SWLSCSKDSA-N 2 1 341.293 3.317 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646362 1329570163 /nfs/dbraw/zinc/57/01/63/1329570163.db2.gz RWKGDZGPWUONRF-DGCLKSJQSA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646362 1329570166 /nfs/dbraw/zinc/57/01/66/1329570166.db2.gz RWKGDZGPWUONRF-DGCLKSJQSA-N 2 1 336.785 3.313 10 10 EGCEMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899948 455852898 /nfs/dbraw/zinc/85/28/98/455852898.db2.gz FRMUXUGUSITSIU-CABCVRRESA-N 2 1 325.456 3.381 10 10 EGCEMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000866516843 1330120950 /nfs/dbraw/zinc/12/09/50/1330120950.db2.gz DBJKIBPCTNTKPO-XIWWETDGSA-N 2 1 334.460 3.092 10 10 EGCEMP COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000185477801 455564286 /nfs/dbraw/zinc/56/42/86/455564286.db2.gz VRRJAFAGOJGFPI-OAHLLOKOSA-N 2 1 341.455 3.424 10 10 EGCEMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899952 455852599 /nfs/dbraw/zinc/85/25/99/455852599.db2.gz FRMUXUGUSITSIU-GJZGRUSLSA-N 2 1 325.456 3.381 10 10 EGCEMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000093337022 1292914901 /nfs/dbraw/zinc/91/49/01/1292914901.db2.gz UKNJQMAGHNYLAC-GOSISDBHSA-N 2 1 340.467 3.355 10 10 EGCEMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000093337022 1292914913 /nfs/dbraw/zinc/91/49/13/1292914913.db2.gz UKNJQMAGHNYLAC-GOSISDBHSA-N 2 1 340.467 3.355 10 10 EGCEMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000093337022 1292914922 /nfs/dbraw/zinc/91/49/22/1292914922.db2.gz UKNJQMAGHNYLAC-GOSISDBHSA-N 2 1 340.467 3.355 10 10 EGCEMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000184700944 455431330 /nfs/dbraw/zinc/43/13/30/455431330.db2.gz CVTGDKBZTKGMLQ-HNNXBMFYSA-N 2 1 335.835 3.224 10 10 EGCEMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000184700944 455431333 /nfs/dbraw/zinc/43/13/33/455431333.db2.gz CVTGDKBZTKGMLQ-HNNXBMFYSA-N 2 1 335.835 3.224 10 10 EGCEMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000175620374 455472060 /nfs/dbraw/zinc/47/20/60/455472060.db2.gz HILPMSCWSUCITP-AWEZNQCLSA-N 2 1 343.402 3.063 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C3CC3)C3CC3)cc2F)CC1 ZINC001327793664 1388596735 /nfs/dbraw/zinc/59/67/35/1388596735.db2.gz UPQQLIZRYQCVDI-UHFFFAOYSA-N 2 1 331.479 3.246 10 10 EGCEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185059955 455494011 /nfs/dbraw/zinc/49/40/11/455494011.db2.gz AHOBGVSWSFEXSL-RYUDHWBXSA-N 2 1 327.266 3.147 10 10 EGCEMP Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530217245 458720050 /nfs/dbraw/zinc/72/00/50/458720050.db2.gz SJPAETLHJXJWTF-FZMZJTMJSA-N 2 1 339.277 3.398 10 10 EGCEMP CCCOc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(O)c1 ZINC000121792995 454478021 /nfs/dbraw/zinc/47/80/21/454478021.db2.gz HFSIAIVZHQPSBG-UHFFFAOYSA-N 2 1 343.471 3.369 10 10 EGCEMP COc1cc(Cl)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1O ZINC000184690693 455428845 /nfs/dbraw/zinc/42/88/45/455428845.db2.gz WAQLDMIPJBJCOS-UHFFFAOYSA-N 2 1 349.862 3.242 10 10 EGCEMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215569 458720253 /nfs/dbraw/zinc/72/02/53/458720253.db2.gz HNOQKZMFUFUJQX-UKRRQHHQSA-N 2 1 339.277 3.480 10 10 EGCEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000190458146 455321513 /nfs/dbraw/zinc/32/15/13/455321513.db2.gz FDWQEKAVVVPNOY-INIZCTEOSA-N 2 1 345.512 3.419 10 10 EGCEMP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185573398 455579497 /nfs/dbraw/zinc/57/94/97/455579497.db2.gz YDQZHNHSTZCZPE-MRXNPFEDSA-N 2 1 349.494 3.132 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367753761 457979429 /nfs/dbraw/zinc/97/94/29/457979429.db2.gz LCPJBGUFXJPFSQ-IXDOHACOSA-N 2 1 338.879 3.038 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367753761 457979436 /nfs/dbraw/zinc/97/94/36/457979436.db2.gz LCPJBGUFXJPFSQ-IXDOHACOSA-N 2 1 338.879 3.038 10 10 EGCEMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000379636851 1297535606 /nfs/dbraw/zinc/53/56/06/1297535606.db2.gz XXDUHRNFWYANHZ-QAPCUYQASA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000379636851 1297535611 /nfs/dbraw/zinc/53/56/11/1297535611.db2.gz XXDUHRNFWYANHZ-QAPCUYQASA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000379633982 1297535675 /nfs/dbraw/zinc/53/56/75/1297535675.db2.gz UXHRFTCOQXELOA-MAUKXSAKSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC000379633982 1297535687 /nfs/dbraw/zinc/53/56/87/1297535687.db2.gz UXHRFTCOQXELOA-MAUKXSAKSA-N 2 1 326.440 3.241 10 10 EGCEMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858121936 1328688298 /nfs/dbraw/zinc/68/82/98/1328688298.db2.gz CUZGHWGULXGXQO-KRWDZBQOSA-N 2 1 331.504 3.126 10 10 EGCEMP Cc1cc(Br)cc([C@H](C)NCc2cc(N)cc[nH+]2)c1O ZINC000925768451 1325292494 /nfs/dbraw/zinc/29/24/94/1325292494.db2.gz UWRZMDWLFMEUFY-JTQLQIEISA-N 2 1 336.233 3.291 10 10 EGCEMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646415 1329570276 /nfs/dbraw/zinc/57/02/76/1329570276.db2.gz SJUUBDHXIPJZGB-AAAUKVELSA-N 2 1 341.421 3.225 10 10 EGCEMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646415 1329570277 /nfs/dbraw/zinc/57/02/77/1329570277.db2.gz SJUUBDHXIPJZGB-AAAUKVELSA-N 2 1 341.421 3.225 10 10 EGCEMP CCc1nc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC001164317761 1383177246 /nfs/dbraw/zinc/17/72/46/1383177246.db2.gz HFQABCJHKRJVGV-KRWDZBQOSA-N 2 1 327.476 3.128 10 10 EGCEMP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000190750589 455377799 /nfs/dbraw/zinc/37/77/99/455377799.db2.gz FYSWOUCTBDYGGA-UHFFFAOYSA-N 2 1 332.766 3.055 10 10 EGCEMP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000185573383 455579448 /nfs/dbraw/zinc/57/94/48/455579448.db2.gz YDQZHNHSTZCZPE-INIZCTEOSA-N 2 1 349.494 3.132 10 10 EGCEMP CC[N@H+]1CC[C@@H](N(C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248796 1329470743 /nfs/dbraw/zinc/47/07/43/1329470743.db2.gz SEADOZBPZXGHCY-IUODEOHRSA-N 2 1 341.293 3.317 10 10 EGCEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557162 1390134747 /nfs/dbraw/zinc/13/47/47/1390134747.db2.gz XTAIPTJEWZTNNJ-HMXCVIKNSA-N 2 1 343.515 3.148 10 10 EGCEMP CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813180 454640005 /nfs/dbraw/zinc/64/00/05/454640005.db2.gz LJJUNKRFDNWDIF-INIZCTEOSA-N 2 1 341.455 3.428 10 10 EGCEMP CCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813180 454640006 /nfs/dbraw/zinc/64/00/06/454640006.db2.gz LJJUNKRFDNWDIF-INIZCTEOSA-N 2 1 341.455 3.428 10 10 EGCEMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001327889204 1388617389 /nfs/dbraw/zinc/61/73/89/1388617389.db2.gz OWYPDVQPMHTNCZ-FQEVSTJZSA-N 2 1 327.516 3.498 10 10 EGCEMP CC(=O)Nc1ccc(C[NH+]2CCCCC2)c(O)c1C[NH+]1CCCCC1 ZINC000035241168 213015562 /nfs/dbraw/zinc/01/55/62/213015562.db2.gz ZATGKKMKVZJTMW-UHFFFAOYSA-N 2 1 345.487 3.322 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367753762 457979256 /nfs/dbraw/zinc/97/92/56/457979256.db2.gz LCPJBGUFXJPFSQ-YESZJQIVSA-N 2 1 338.879 3.038 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367753762 457979266 /nfs/dbraw/zinc/97/92/66/457979266.db2.gz LCPJBGUFXJPFSQ-YESZJQIVSA-N 2 1 338.879 3.038 10 10 EGCEMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1O ZINC000925846472 1325326843 /nfs/dbraw/zinc/32/68/43/1325326843.db2.gz NRFJWKMDYZYOGI-OAHLLOKOSA-N 2 1 339.911 3.080 10 10 EGCEMP CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248795 1329470781 /nfs/dbraw/zinc/47/07/81/1329470781.db2.gz SEADOZBPZXGHCY-DOMZBBRYSA-N 2 1 341.293 3.317 10 10 EGCEMP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813287 454639964 /nfs/dbraw/zinc/63/99/64/454639964.db2.gz LANZWFSVWMBBOY-HNNXBMFYSA-N 2 1 327.428 3.038 10 10 EGCEMP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813287 454639967 /nfs/dbraw/zinc/63/99/67/454639967.db2.gz LANZWFSVWMBBOY-HNNXBMFYSA-N 2 1 327.428 3.038 10 10 EGCEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631122 1297535516 /nfs/dbraw/zinc/53/55/16/1297535516.db2.gz RBPOZVUYNGWLDG-QAPCUYQASA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631122 1297535523 /nfs/dbraw/zinc/53/55/23/1297535523.db2.gz RBPOZVUYNGWLDG-QAPCUYQASA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108400 1328685022 /nfs/dbraw/zinc/68/50/22/1328685022.db2.gz FGVKNYWYPWIKSJ-WMZOPIPTSA-N 2 1 331.504 3.047 10 10 EGCEMP Cc1cc(Br)cc([C@@H](C)NCc2cc(N)cc[nH+]2)c1O ZINC000925768452 1325291736 /nfs/dbraw/zinc/29/17/36/1325291736.db2.gz UWRZMDWLFMEUFY-SNVBAGLBSA-N 2 1 336.233 3.291 10 10 EGCEMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646418 1329570224 /nfs/dbraw/zinc/57/02/24/1329570224.db2.gz SJUUBDHXIPJZGB-PKOQZONYSA-N 2 1 341.421 3.225 10 10 EGCEMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646418 1329570226 /nfs/dbraw/zinc/57/02/26/1329570226.db2.gz SJUUBDHXIPJZGB-PKOQZONYSA-N 2 1 341.421 3.225 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC(F)(F)C3)cc2F)CC1 ZINC001324048547 1387519039 /nfs/dbraw/zinc/51/90/39/1387519039.db2.gz JQXMEQVUUNIHLB-HNNXBMFYSA-N 2 1 341.421 3.245 10 10 EGCEMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000245708941 455361936 /nfs/dbraw/zinc/36/19/36/455361936.db2.gz CECAYSRYVVMZEW-YJBOKZPZSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000245708941 455361940 /nfs/dbraw/zinc/36/19/40/455361940.db2.gz CECAYSRYVVMZEW-YJBOKZPZSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000245708941 455361942 /nfs/dbraw/zinc/36/19/42/455361942.db2.gz CECAYSRYVVMZEW-YJBOKZPZSA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813352 454640762 /nfs/dbraw/zinc/64/07/62/454640762.db2.gz PTBVDPYRBJJADF-INIZCTEOSA-N 2 1 341.455 3.428 10 10 EGCEMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813352 454640769 /nfs/dbraw/zinc/64/07/69/454640769.db2.gz PTBVDPYRBJJADF-INIZCTEOSA-N 2 1 341.455 3.428 10 10 EGCEMP CCN(CC)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000179517722 455054547 /nfs/dbraw/zinc/05/45/47/455054547.db2.gz SPLFCJFOYUVRDZ-GOSISDBHSA-N 2 1 347.547 3.057 10 10 EGCEMP COC1CCN(c2ccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2)CC1 ZINC000295118272 455840124 /nfs/dbraw/zinc/84/01/24/455840124.db2.gz WJQHMBXHSIVBRV-XLIONFOSSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2)CC1 ZINC000295118272 455840129 /nfs/dbraw/zinc/84/01/29/455840129.db2.gz WJQHMBXHSIVBRV-XLIONFOSSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000295118272 455840135 /nfs/dbraw/zinc/84/01/35/455840135.db2.gz WJQHMBXHSIVBRV-XLIONFOSSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000295118272 455840141 /nfs/dbraw/zinc/84/01/41/455840141.db2.gz WJQHMBXHSIVBRV-XLIONFOSSA-N 2 1 345.531 3.216 10 10 EGCEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000187023444 455863733 /nfs/dbraw/zinc/86/37/33/455863733.db2.gz DOKJEARMMWESHG-QWHCGFSZSA-N 2 1 341.293 3.456 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367753759 457978750 /nfs/dbraw/zinc/97/87/50/457978750.db2.gz LCPJBGUFXJPFSQ-BRWVUGGUSA-N 2 1 338.879 3.038 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367753759 457978759 /nfs/dbraw/zinc/97/87/59/457978759.db2.gz LCPJBGUFXJPFSQ-BRWVUGGUSA-N 2 1 338.879 3.038 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C(F)(F)F)CC3)cc2F)CC1 ZINC001323750508 1387441899 /nfs/dbraw/zinc/44/18/99/1387441899.db2.gz ZOLVBPBILRBYAT-UHFFFAOYSA-N 2 1 345.384 3.010 10 10 EGCEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185059509 455494179 /nfs/dbraw/zinc/49/41/79/455494179.db2.gz ZZGCLPSPUXDLMH-NWDGAFQWSA-N 2 1 327.266 3.147 10 10 EGCEMP COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000185539517 455575510 /nfs/dbraw/zinc/57/55/10/455575510.db2.gz ZTWXAPQZDGWCNJ-OAHLLOKOSA-N 2 1 341.455 3.424 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646360 1329570053 /nfs/dbraw/zinc/57/00/53/1329570053.db2.gz RWKGDZGPWUONRF-AAEUAGOBSA-N 2 1 336.785 3.313 10 10 EGCEMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000180031462 1294854941 /nfs/dbraw/zinc/85/49/41/1294854941.db2.gz DRYQMYZFDSCKTJ-KRWDZBQOSA-N 2 1 332.488 3.489 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646360 1329570051 /nfs/dbraw/zinc/57/00/51/1329570051.db2.gz RWKGDZGPWUONRF-AAEUAGOBSA-N 2 1 336.785 3.313 10 10 EGCEMP COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000185477780 455564142 /nfs/dbraw/zinc/56/41/42/455564142.db2.gz VRRJAFAGOJGFPI-HNNXBMFYSA-N 2 1 341.455 3.424 10 10 EGCEMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249130 1329471027 /nfs/dbraw/zinc/47/10/27/1329471027.db2.gz WZKGKBYSNCXERJ-CXAGYDPISA-N 2 1 325.447 3.193 10 10 EGCEMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC000067642818 215172394 /nfs/dbraw/zinc/17/23/94/215172394.db2.gz LDNSJWVEAPNWJP-GOSISDBHSA-N 2 1 326.440 3.497 10 10 EGCEMP CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1O ZINC000055281063 214300674 /nfs/dbraw/zinc/30/06/74/214300674.db2.gz NQMSDFYTTAKUIY-NRFANRHFSA-N 2 1 344.499 3.489 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1O ZINC000055281063 214300677 /nfs/dbraw/zinc/30/06/77/214300677.db2.gz NQMSDFYTTAKUIY-NRFANRHFSA-N 2 1 344.499 3.489 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1O ZINC000055281063 214300680 /nfs/dbraw/zinc/30/06/80/214300680.db2.gz NQMSDFYTTAKUIY-NRFANRHFSA-N 2 1 344.499 3.489 10 10 EGCEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000190458124 455321798 /nfs/dbraw/zinc/32/17/98/455321798.db2.gz FDWQEKAVVVPNOY-MRXNPFEDSA-N 2 1 345.512 3.419 10 10 EGCEMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1O ZINC000175620352 455472500 /nfs/dbraw/zinc/47/25/00/455472500.db2.gz HILPMSCWSUCITP-CQSZACIVSA-N 2 1 343.402 3.063 10 10 EGCEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000185059934 455494415 /nfs/dbraw/zinc/49/44/15/455494415.db2.gz AHOBGVSWSFEXSL-NWDGAFQWSA-N 2 1 327.266 3.147 10 10 EGCEMP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247245306 455577705 /nfs/dbraw/zinc/57/77/05/455577705.db2.gz WYWNARJQEWQEJJ-KXBFYZLASA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247245306 455577707 /nfs/dbraw/zinc/57/77/07/455577707.db2.gz WYWNARJQEWQEJJ-KXBFYZLASA-N 2 1 330.472 3.240 10 10 EGCEMP CCOc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247245306 455577712 /nfs/dbraw/zinc/57/77/12/455577712.db2.gz WYWNARJQEWQEJJ-KXBFYZLASA-N 2 1 330.472 3.240 10 10 EGCEMP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251790 1296852371 /nfs/dbraw/zinc/85/23/71/1296852371.db2.gz NEEKDTLWIBSIJB-CYBMUJFWSA-N 2 1 341.293 3.331 10 10 EGCEMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249134 1329470716 /nfs/dbraw/zinc/47/07/16/1329470716.db2.gz WZKGKBYSNCXERJ-GUYCJALGSA-N 2 1 325.447 3.193 10 10 EGCEMP Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000071825377 454225757 /nfs/dbraw/zinc/22/57/57/454225757.db2.gz MPRAQSUUAASIKQ-AWEZNQCLSA-N 2 1 330.501 3.054 10 10 EGCEMP CCOCc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OC ZINC000527804730 459742300 /nfs/dbraw/zinc/74/23/00/459742300.db2.gz AKRRLMKGQSIBJG-IBGZPJMESA-N 2 1 332.488 3.338 10 10 EGCEMP CCOCc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)ccc1OC ZINC000527804730 459742305 /nfs/dbraw/zinc/74/23/05/459742305.db2.gz AKRRLMKGQSIBJG-IBGZPJMESA-N 2 1 332.488 3.338 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@]3(C)CC3(F)F)cc2F)CC1 ZINC001118423261 1371179800 /nfs/dbraw/zinc/17/98/00/1371179800.db2.gz GXFOWCCUYCTRQU-QGZVFWFLSA-N 2 1 341.421 3.103 10 10 EGCEMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC000067642816 215172612 /nfs/dbraw/zinc/17/26/12/215172612.db2.gz LDNSJWVEAPNWJP-SFHVURJKSA-N 2 1 326.440 3.497 10 10 EGCEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138550 455138727 /nfs/dbraw/zinc/13/87/27/455138727.db2.gz ISZKRFBUVQBDHC-HNNXBMFYSA-N 2 1 345.443 3.005 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2F)CC1 ZINC001335328451 1390672710 /nfs/dbraw/zinc/67/27/10/1390672710.db2.gz ABHWAKRCTXWLDS-SJORKVTESA-N 2 1 349.519 3.047 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2F)CC1 ZINC001335328451 1390672714 /nfs/dbraw/zinc/67/27/14/1390672714.db2.gz ABHWAKRCTXWLDS-SJORKVTESA-N 2 1 349.519 3.047 10 10 EGCEMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645728 1329570232 /nfs/dbraw/zinc/57/02/32/1329570232.db2.gz LZHOTLFEPNNHNN-JQWIXIFHSA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645728 1329570234 /nfs/dbraw/zinc/57/02/34/1329570234.db2.gz LZHOTLFEPNNHNN-JQWIXIFHSA-N 2 1 336.785 3.313 10 10 EGCEMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001327889205 1388617299 /nfs/dbraw/zinc/61/72/99/1388617299.db2.gz OWYPDVQPMHTNCZ-HXUWFJFHSA-N 2 1 327.516 3.498 10 10 EGCEMP CCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813179 454640191 /nfs/dbraw/zinc/64/01/91/454640191.db2.gz LJJUNKRFDNWDIF-MRXNPFEDSA-N 2 1 341.455 3.428 10 10 EGCEMP CCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1O ZINC000092813179 454640195 /nfs/dbraw/zinc/64/01/95/454640195.db2.gz LJJUNKRFDNWDIF-MRXNPFEDSA-N 2 1 341.455 3.428 10 10 EGCEMP c1ccc(CN2CCc3cc(C[NH2+]CCC[NH+]4CCC4)ccc32)cc1 ZINC001201833105 1369631027 /nfs/dbraw/zinc/63/10/27/1369631027.db2.gz KXAKBSMVVQHWON-UHFFFAOYSA-N 2 1 335.495 3.435 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@]3(C)CC3(F)F)cc2F)CC1 ZINC001118423260 1371179961 /nfs/dbraw/zinc/17/99/61/1371179961.db2.gz GXFOWCCUYCTRQU-KRWDZBQOSA-N 2 1 341.421 3.103 10 10 EGCEMP CC(=O)c1cc(F)cc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1O ZINC001175686119 1385373984 /nfs/dbraw/zinc/37/39/84/1385373984.db2.gz ADHFMOYEDKLVEF-UHFFFAOYSA-N 2 1 336.451 3.432 10 10 EGCEMP CC(=O)c1cc(F)cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1O ZINC001175686119 1385373990 /nfs/dbraw/zinc/37/39/90/1385373990.db2.gz ADHFMOYEDKLVEF-UHFFFAOYSA-N 2 1 336.451 3.432 10 10 EGCEMP CC(=O)Nc1cc(C[NH+]2CCCCC2)c(O)c(C[NH+]2CCCCC2)c1 ZINC000071974091 454264224 /nfs/dbraw/zinc/26/42/24/454264224.db2.gz AVPLCNNLKMYJHF-UHFFFAOYSA-N 2 1 345.487 3.322 10 10 EGCEMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244459 454958430 /nfs/dbraw/zinc/95/84/30/454958430.db2.gz VIALHGFCRCOJGX-WIYYLYMNSA-N 2 1 345.531 3.174 10 10 EGCEMP CCOCc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OC ZINC000369541650 458259170 /nfs/dbraw/zinc/25/91/70/458259170.db2.gz PGZYUWOJPWMFAL-UHFFFAOYSA-N 2 1 332.488 3.338 10 10 EGCEMP Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251791 1296854034 /nfs/dbraw/zinc/85/40/34/1296854034.db2.gz NEEKDTLWIBSIJB-ZDUSSCGKSA-N 2 1 341.293 3.331 10 10 EGCEMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249135 1329470932 /nfs/dbraw/zinc/47/09/32/1329470932.db2.gz WZKGKBYSNCXERJ-SUMWQHHRSA-N 2 1 325.447 3.193 10 10 EGCEMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)CC1(C)C ZINC000862366590 1329478607 /nfs/dbraw/zinc/47/86/07/1329478607.db2.gz UHSQBYTZZJTAOQ-ZDUSSCGKSA-N 2 1 327.266 3.117 10 10 EGCEMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646417 1329570062 /nfs/dbraw/zinc/57/00/62/1329570062.db2.gz SJUUBDHXIPJZGB-MXTKCAFNSA-N 2 1 341.421 3.225 10 10 EGCEMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646417 1329570063 /nfs/dbraw/zinc/57/00/63/1329570063.db2.gz SJUUBDHXIPJZGB-MXTKCAFNSA-N 2 1 341.421 3.225 10 10 EGCEMP COCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCCC1 ZINC001347179795 1391020041 /nfs/dbraw/zinc/02/00/41/1391020041.db2.gz YPBPYQPOXWIMCF-UHFFFAOYSA-N 2 1 349.494 3.016 10 10 EGCEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000185059528 455493950 /nfs/dbraw/zinc/49/39/50/455493950.db2.gz ZZGCLPSPUXDLMH-RYUDHWBXSA-N 2 1 327.266 3.147 10 10 EGCEMP COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)CC1 ZINC000295118275 455839655 /nfs/dbraw/zinc/83/96/55/455839655.db2.gz WJQHMBXHSIVBRV-YLJYHZDGSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)CC1 ZINC000295118275 455839657 /nfs/dbraw/zinc/83/96/57/455839657.db2.gz WJQHMBXHSIVBRV-YLJYHZDGSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000295118275 455839658 /nfs/dbraw/zinc/83/96/58/455839658.db2.gz WJQHMBXHSIVBRV-YLJYHZDGSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000295118275 455839661 /nfs/dbraw/zinc/83/96/61/455839661.db2.gz WJQHMBXHSIVBRV-YLJYHZDGSA-N 2 1 345.531 3.216 10 10 EGCEMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646416 1329570301 /nfs/dbraw/zinc/57/03/01/1329570301.db2.gz SJUUBDHXIPJZGB-JUPLKNRCSA-N 2 1 341.421 3.225 10 10 EGCEMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646416 1329570304 /nfs/dbraw/zinc/57/03/04/1329570304.db2.gz SJUUBDHXIPJZGB-JUPLKNRCSA-N 2 1 341.421 3.225 10 10 EGCEMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCCO1 ZINC001118390575 1371172231 /nfs/dbraw/zinc/17/22/31/1371172231.db2.gz VWQLPNDZUOQGKW-QUCCMNQESA-N 2 1 349.494 3.015 10 10 EGCEMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858108398 1328684961 /nfs/dbraw/zinc/68/49/61/1328684961.db2.gz FGVKNYWYPWIKSJ-FUHWJXTLSA-N 2 1 331.504 3.047 10 10 EGCEMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1O ZINC000925846464 1325326443 /nfs/dbraw/zinc/32/64/43/1325326443.db2.gz NRFJWKMDYZYOGI-HNNXBMFYSA-N 2 1 339.911 3.080 10 10 EGCEMP COc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000179989222 455111860 /nfs/dbraw/zinc/11/18/60/455111860.db2.gz HIPWOBZKRVIDQV-OAHLLOKOSA-N 2 1 327.428 3.038 10 10 EGCEMP COc1ccc(O)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000179989222 455111863 /nfs/dbraw/zinc/11/18/63/455111863.db2.gz HIPWOBZKRVIDQV-OAHLLOKOSA-N 2 1 327.428 3.038 10 10 EGCEMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899956 455852311 /nfs/dbraw/zinc/85/23/11/455852311.db2.gz FRMUXUGUSITSIU-HUUCEWRRSA-N 2 1 325.456 3.381 10 10 EGCEMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899960 455853161 /nfs/dbraw/zinc/85/31/61/455853161.db2.gz FRMUXUGUSITSIU-LSDHHAIUSA-N 2 1 325.456 3.381 10 10 EGCEMP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530217251 458720507 /nfs/dbraw/zinc/72/05/07/458720507.db2.gz SJPAETLHJXJWTF-SMDDNHRTSA-N 2 1 339.277 3.398 10 10 EGCEMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000379633985 1297536865 /nfs/dbraw/zinc/53/68/65/1297536865.db2.gz UXHRFTCOQXELOA-YJBOKZPZSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC000379633985 1297536875 /nfs/dbraw/zinc/53/68/75/1297536875.db2.gz UXHRFTCOQXELOA-YJBOKZPZSA-N 2 1 326.440 3.241 10 10 EGCEMP CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1O ZINC000055281068 214300913 /nfs/dbraw/zinc/30/09/13/214300913.db2.gz NQMSDFYTTAKUIY-OAQYLSRUSA-N 2 1 344.499 3.489 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1O ZINC000055281068 214300916 /nfs/dbraw/zinc/30/09/16/214300916.db2.gz NQMSDFYTTAKUIY-OAQYLSRUSA-N 2 1 344.499 3.489 10 10 EGCEMP CCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1O ZINC000055281068 214300919 /nfs/dbraw/zinc/30/09/19/214300919.db2.gz NQMSDFYTTAKUIY-OAQYLSRUSA-N 2 1 344.499 3.489 10 10 EGCEMP Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180423172 455166490 /nfs/dbraw/zinc/16/64/90/455166490.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 2 1 341.293 3.378 10 10 EGCEMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000180423172 455166479 /nfs/dbraw/zinc/16/64/79/455166479.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 2 1 341.293 3.378 10 10 EGCEMP Cc1cc(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000180423172 455166484 /nfs/dbraw/zinc/16/64/84/455166484.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 2 1 341.293 3.378 10 10 EGCEMP Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1O ZINC000180423172 455166488 /nfs/dbraw/zinc/16/64/88/455166488.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 2 1 341.293 3.378 10 10 EGCEMP COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000185539496 455576006 /nfs/dbraw/zinc/57/60/06/455576006.db2.gz ZTWXAPQZDGWCNJ-HNNXBMFYSA-N 2 1 341.455 3.424 10 10 EGCEMP COc1cc(C)cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1O ZINC000895083584 1309185870 /nfs/dbraw/zinc/18/58/70/1309185870.db2.gz BETLWKLSKAAVQN-MOPGFXCFSA-N 2 1 340.467 3.144 10 10 EGCEMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000379636849 1297534239 /nfs/dbraw/zinc/53/42/39/1297534239.db2.gz XXDUHRNFWYANHZ-CRAIPNDOSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000379636849 1297534246 /nfs/dbraw/zinc/53/42/46/1297534246.db2.gz XXDUHRNFWYANHZ-CRAIPNDOSA-N 2 1 326.440 3.241 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc2F)CC1 ZINC001118926535 1371251682 /nfs/dbraw/zinc/25/16/82/1371251682.db2.gz ORTDEDDYHMUQQY-UHFFFAOYSA-N 2 1 343.437 3.349 10 10 EGCEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001332557161 1390134722 /nfs/dbraw/zinc/13/47/22/1390134722.db2.gz XTAIPTJEWZTNNJ-HLAWJBBLSA-N 2 1 343.515 3.148 10 10 EGCEMP COc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000179989206 455112401 /nfs/dbraw/zinc/11/24/01/455112401.db2.gz HIPWOBZKRVIDQV-HNNXBMFYSA-N 2 1 327.428 3.038 10 10 EGCEMP COc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000179989206 455112404 /nfs/dbraw/zinc/11/24/04/455112404.db2.gz HIPWOBZKRVIDQV-HNNXBMFYSA-N 2 1 327.428 3.038 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367753760 457978662 /nfs/dbraw/zinc/97/86/62/457978662.db2.gz LCPJBGUFXJPFSQ-GVDBMIGSSA-N 2 1 338.879 3.038 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367753760 457978669 /nfs/dbraw/zinc/97/86/69/457978669.db2.gz LCPJBGUFXJPFSQ-GVDBMIGSSA-N 2 1 338.879 3.038 10 10 EGCEMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCCCO1 ZINC001118390571 1371172204 /nfs/dbraw/zinc/17/22/04/1371172204.db2.gz VWQLPNDZUOQGKW-AZUAARDMSA-N 2 1 349.494 3.015 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2F)CC1 ZINC001321162331 1386827139 /nfs/dbraw/zinc/82/71/39/1386827139.db2.gz QTAWCMJXFVLQTJ-UHFFFAOYSA-N 2 1 331.479 3.390 10 10 EGCEMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215566 458719118 /nfs/dbraw/zinc/71/91/18/458719118.db2.gz HNOQKZMFUFUJQX-DZGCQCFKSA-N 2 1 339.277 3.480 10 10 EGCEMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631119 1297536700 /nfs/dbraw/zinc/53/67/00/1297536700.db2.gz RBPOZVUYNGWLDG-CRAIPNDOSA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000379631119 1297536704 /nfs/dbraw/zinc/53/67/04/1297536704.db2.gz RBPOZVUYNGWLDG-CRAIPNDOSA-N 2 1 326.440 3.241 10 10 EGCEMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC000878865344 1300232285 /nfs/dbraw/zinc/23/22/85/1300232285.db2.gz WNHSXFFMNWBVQP-UHFFFAOYSA-N 2 1 336.863 3.166 10 10 EGCEMP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC000878865344 1300232289 /nfs/dbraw/zinc/23/22/89/1300232289.db2.gz WNHSXFFMNWBVQP-UHFFFAOYSA-N 2 1 336.863 3.166 10 10 EGCEMP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC000878865344 1300232296 /nfs/dbraw/zinc/23/22/96/1300232296.db2.gz WNHSXFFMNWBVQP-UHFFFAOYSA-N 2 1 336.863 3.166 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC(F)(F)C3)cc2F)CC1 ZINC001324049359 1387519115 /nfs/dbraw/zinc/51/91/15/1387519115.db2.gz JQXMEQVUUNIHLB-OAHLLOKOSA-N 2 1 341.421 3.245 10 10 EGCEMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927039514 1327828215 /nfs/dbraw/zinc/82/82/15/1327828215.db2.gz UUWGTXMABMXUEC-PCVOSPCESA-N 2 1 346.471 3.236 10 10 EGCEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244270 454958100 /nfs/dbraw/zinc/95/81/00/454958100.db2.gz VIALHGFCRCOJGX-RXVVDRJESA-N 2 1 345.531 3.174 10 10 EGCEMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645727 1329570123 /nfs/dbraw/zinc/57/01/23/1329570123.db2.gz LZHOTLFEPNNHNN-CMPLNLGQSA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645727 1329570125 /nfs/dbraw/zinc/57/01/25/1329570125.db2.gz LZHOTLFEPNNHNN-CMPLNLGQSA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646367 1329570201 /nfs/dbraw/zinc/57/02/01/1329570201.db2.gz RWKGDZGPWUONRF-YPMHNXCESA-N 2 1 336.785 3.313 10 10 EGCEMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646367 1329570202 /nfs/dbraw/zinc/57/02/02/1329570202.db2.gz RWKGDZGPWUONRF-YPMHNXCESA-N 2 1 336.785 3.313 10 10 EGCEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[N@@H+]1Cc1ccccc1 ZINC000379633983 1297534209 /nfs/dbraw/zinc/53/42/09/1297534209.db2.gz UXHRFTCOQXELOA-QAPCUYQASA-N 2 1 326.440 3.241 10 10 EGCEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CC[N@H+]1Cc1ccccc1 ZINC000379633983 1297534220 /nfs/dbraw/zinc/53/42/20/1297534220.db2.gz UXHRFTCOQXELOA-QAPCUYQASA-N 2 1 326.440 3.241 10 10 EGCEMP CC[N@H+]1CC[C@H](N(C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248798 1329470894 /nfs/dbraw/zinc/47/08/94/1329470894.db2.gz SEADOZBPZXGHCY-WFASDCNBSA-N 2 1 341.293 3.317 10 10 EGCEMP C[NH+](C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccc3O)C2(C)C)no1 ZINC000067889801 215242584 /nfs/dbraw/zinc/24/25/84/215242584.db2.gz IKAHEHZLJSXFJN-BEFAXECRSA-N 2 1 343.471 3.189 10 10 EGCEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138538 455138786 /nfs/dbraw/zinc/13/87/86/455138786.db2.gz ISZKRFBUVQBDHC-OAHLLOKOSA-N 2 1 345.443 3.005 10 10 EGCEMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC1(C)C ZINC000862366589 1329478393 /nfs/dbraw/zinc/47/83/93/1329478393.db2.gz UHSQBYTZZJTAOQ-CYBMUJFWSA-N 2 1 327.266 3.117 10 10 EGCEMP COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118267 455840510 /nfs/dbraw/zinc/84/05/10/455840510.db2.gz WJQHMBXHSIVBRV-FXAWDEMLSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118267 455840514 /nfs/dbraw/zinc/84/05/14/455840514.db2.gz WJQHMBXHSIVBRV-FXAWDEMLSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118267 455840519 /nfs/dbraw/zinc/84/05/19/455840519.db2.gz WJQHMBXHSIVBRV-FXAWDEMLSA-N 2 1 345.531 3.216 10 10 EGCEMP COC1CCN(c2ccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000295118267 455840524 /nfs/dbraw/zinc/84/05/24/455840524.db2.gz WJQHMBXHSIVBRV-FXAWDEMLSA-N 2 1 345.531 3.216 10 10 EGCEMP CN(C)c1cc(F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000862220809 1329466990 /nfs/dbraw/zinc/46/69/90/1329466990.db2.gz QFHNZYIFZRPRFX-UHFFFAOYSA-N 2 1 337.458 3.339 10 10 EGCEMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000093337021 1292915478 /nfs/dbraw/zinc/91/54/78/1292915478.db2.gz UKNJQMAGHNYLAC-SFHVURJKSA-N 2 1 340.467 3.355 10 10 EGCEMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000093337021 1292915485 /nfs/dbraw/zinc/91/54/85/1292915485.db2.gz UKNJQMAGHNYLAC-SFHVURJKSA-N 2 1 340.467 3.355 10 10 EGCEMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000093337021 1292915490 /nfs/dbraw/zinc/91/54/90/1292915490.db2.gz UKNJQMAGHNYLAC-SFHVURJKSA-N 2 1 340.467 3.355 10 10 EGCEMP COC1CCN(c2ccc(C[NH+]3CCC(C)([NH+](C)C)CC3)cc2)CC1 ZINC000931352744 1329100620 /nfs/dbraw/zinc/10/06/20/1329100620.db2.gz RYBVBNSOYXKBBS-UHFFFAOYSA-N 2 1 345.531 3.218 10 10 EGCEMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249132 1329470690 /nfs/dbraw/zinc/47/06/90/1329470690.db2.gz WZKGKBYSNCXERJ-DYVFJYSZSA-N 2 1 325.447 3.193 10 10 EGCEMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000866516842 1330121103 /nfs/dbraw/zinc/12/11/03/1330121103.db2.gz DBJKIBPCTNTKPO-VZDIAYEVSA-N 2 1 334.460 3.092 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3)cc2F)CC1 ZINC001326807738 1388317295 /nfs/dbraw/zinc/31/72/95/1388317295.db2.gz SYRGTPSIJUQFTQ-QAQDUYKDSA-N 2 1 349.494 3.013 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCF)C3)cc2F)CC1 ZINC001330375022 1389400751 /nfs/dbraw/zinc/40/07/51/1389400751.db2.gz RQILYNBOZWQTTA-MRXNPFEDSA-N 2 1 337.458 3.149 10 10 EGCEMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCF)C3)cc2F)CC1 ZINC001330375022 1389400760 /nfs/dbraw/zinc/40/07/60/1389400760.db2.gz RQILYNBOZWQTTA-MRXNPFEDSA-N 2 1 337.458 3.149 10 10 EGCEMP