smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([C@@]23C[N@H+](CCCO)C[C@@H]2CC[NH+](Cc2ccccc2)C3)n1 ZINC000257193824 794041532 /nfs/dbraw/zinc/04/15/32/794041532.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 2 2 356.470 1.836 50 0 FDAALP Cc1noc([C@@]23C[N@@H+](CCCO)C[C@@H]2CC[NH+](Cc2ccccc2)C3)n1 ZINC000257193824 794041540 /nfs/dbraw/zinc/04/15/40/794041540.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 2 2 356.470 1.836 50 0 FDAALP Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@H+](Cc2ccccc2)C3)n1 ZINC000257193824 794041545 /nfs/dbraw/zinc/04/15/45/794041545.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 2 2 356.470 1.836 50 0 FDAALP Cc1noc([C@@]23C[NH+](CCCO)C[C@@H]2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC000257193824 794041548 /nfs/dbraw/zinc/04/15/48/794041548.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 2 2 356.470 1.836 50 0 FDAALP C[NH+](C)C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000169790797 864528595 /nfs/dbraw/zinc/52/85/95/864528595.db2.gz VMLMGQIEACYCDW-SJLPKXTDSA-N 2 2 356.445 1.946 50 0 FDAALP CCCCOC(=O)Cn1c2ccccc2n(CC[NH+]2CCOCC2)c1=[NH2+] ZINC000002267090 204030975 /nfs/dbraw/zinc/03/09/75/204030975.db2.gz LGUTYYMXMUAHRJ-UHFFFAOYSA-N 2 2 360.458 1.598 50 0 FDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)COc2ccccc2)[nH+]cn1 ZINC000036705839 204383345 /nfs/dbraw/zinc/38/33/45/204383345.db2.gz PCGVBCFSXZLKHB-UHFFFAOYSA-N 2 2 352.398 1.578 50 0 FDAALP COc1cccc(C[NH2+]CCSC)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000039466392 205046192 /nfs/dbraw/zinc/04/61/92/205046192.db2.gz AIBUQZGIJJLBRW-INIZCTEOSA-N 2 2 370.515 1.220 50 0 FDAALP CC[NH+]1CCN(CCNC(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065269696 205333016 /nfs/dbraw/zinc/33/30/16/205333016.db2.gz RMGPZKWWMTYJIS-UHFFFAOYSA-N 2 2 359.518 1.368 50 0 FDAALP Cc1ccc([C@@H](C(=O)N2CCC(O)(Cn3cc[nH+]c3)CC2)[NH+](C)C)cc1 ZINC000065532696 205358540 /nfs/dbraw/zinc/35/85/40/205358540.db2.gz WCOSSCITFUTKIT-SFHVURJKSA-N 2 2 356.470 1.848 50 0 FDAALP O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1cc2n(n1)CC[NH2+]C2 ZINC000065380227 205341378 /nfs/dbraw/zinc/34/13/78/205341378.db2.gz CZYWTHQGWLJOEU-QGZVFWFLSA-N 2 2 350.426 1.744 50 0 FDAALP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+]3CCC(O)CC3)on2)C1 ZINC000067773929 205390223 /nfs/dbraw/zinc/39/02/23/205390223.db2.gz AOSPSIBYZRVTSQ-HNNXBMFYSA-N 2 2 364.490 1.482 50 0 FDAALP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+]3CCC(O)CC3)on2)C1 ZINC000067773929 205390226 /nfs/dbraw/zinc/39/02/26/205390226.db2.gz AOSPSIBYZRVTSQ-HNNXBMFYSA-N 2 2 364.490 1.482 50 0 FDAALP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238013093 206111801 /nfs/dbraw/zinc/11/18/01/206111801.db2.gz YZDDJAVEENHITM-FMKPAKJESA-N 2 2 355.841 1.283 50 0 FDAALP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238013093 206111807 /nfs/dbraw/zinc/11/18/07/206111807.db2.gz YZDDJAVEENHITM-FMKPAKJESA-N 2 2 355.841 1.283 50 0 FDAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 ZINC000216129151 206356211 /nfs/dbraw/zinc/35/62/11/206356211.db2.gz ZVAGXPNUXSPKAL-QGZVFWFLSA-N 2 2 372.473 1.291 50 0 FDAALP COc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1(C)C ZINC000091820332 132204111 /nfs/dbraw/zinc/20/41/11/132204111.db2.gz VFYRABIJEWRBHX-HNNXBMFYSA-N 2 2 357.458 1.416 50 0 FDAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc(N)[nH+]cn3)C2)n1C ZINC000095379602 132209390 /nfs/dbraw/zinc/20/93/90/132209390.db2.gz IOKLWDNGEBFIDB-CYBMUJFWSA-N 2 2 353.434 1.125 50 0 FDAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc(N)nc[nH+]3)C2)n1C ZINC000095379602 132209391 /nfs/dbraw/zinc/20/93/91/132209391.db2.gz IOKLWDNGEBFIDB-CYBMUJFWSA-N 2 2 353.434 1.125 50 0 FDAALP COCC[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000095530919 132215290 /nfs/dbraw/zinc/21/52/90/132215290.db2.gz PQQTTXWIPYTNPN-SFHVURJKSA-N 2 2 360.502 1.869 50 0 FDAALP COCC[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000095530919 132215291 /nfs/dbraw/zinc/21/52/91/132215291.db2.gz PQQTTXWIPYTNPN-SFHVURJKSA-N 2 2 360.502 1.869 50 0 FDAALP Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]c(N2CCOCC2)n1 ZINC000097425177 132228817 /nfs/dbraw/zinc/22/88/17/132228817.db2.gz QVTNTFFBBOFZTP-UHFFFAOYSA-N 2 2 355.442 1.395 50 0 FDAALP COc1cccc(C[NH+]2CCN(c3cc(C4CC(O)C4)[nH+]c(N)n3)CC2)c1 ZINC000218845789 132273096 /nfs/dbraw/zinc/27/30/96/132273096.db2.gz KZHMRCYAEUIZBY-UHFFFAOYSA-N 2 2 369.469 1.628 50 0 FDAALP COc1ccc([C@@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2OC)cc1OC ZINC000003076374 132384754 /nfs/dbraw/zinc/38/47/54/132384754.db2.gz KFYMGFXGGWZEQJ-MRXNPFEDSA-N 2 2 355.398 1.861 50 0 FDAALP CC1CC[NH+](Cc2nnn(-c3nonc3N)c2C[NH+]2CCC(C)CC2)CC1 ZINC000001238598 518228612 /nfs/dbraw/zinc/22/86/12/518228612.db2.gz DFBQZWCDYNHZSD-UHFFFAOYSA-N 2 2 374.493 1.696 50 0 FDAALP COc1ccc(OC)c(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000014977428 518702687 /nfs/dbraw/zinc/70/26/87/518702687.db2.gz BJYWACPJNJYJAZ-OAHLLOKOSA-N 2 2 361.486 1.992 50 0 FDAALP COc1ccc(OC)c(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000014977428 518702694 /nfs/dbraw/zinc/70/26/94/518702694.db2.gz BJYWACPJNJYJAZ-OAHLLOKOSA-N 2 2 361.486 1.992 50 0 FDAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2O)CC1 ZINC000020906361 518861471 /nfs/dbraw/zinc/86/14/71/518861471.db2.gz FMSCAAHULYFEMU-RTBURBONSA-N 2 2 372.538 1.993 50 0 FDAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2O)CC1 ZINC000020906361 518861482 /nfs/dbraw/zinc/86/14/82/518861482.db2.gz FMSCAAHULYFEMU-RTBURBONSA-N 2 2 372.538 1.993 50 0 FDAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc3c(c2)OCO3)[nH+]cn1 ZINC000035598166 519610353 /nfs/dbraw/zinc/61/03/53/519610353.db2.gz BACLZAUASVTJQL-UHFFFAOYSA-N 2 2 366.381 1.541 50 0 FDAALP CC(C)[C@@H]1CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CCC(=O)N1CC1CC1 ZINC000071753402 522128052 /nfs/dbraw/zinc/12/80/52/522128052.db2.gz RWKCBGDSUADBOV-SFHVURJKSA-N 2 2 364.534 1.166 50 0 FDAALP CC(C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CCC(=O)N1CC1CC1 ZINC000071753402 522128069 /nfs/dbraw/zinc/12/80/69/522128069.db2.gz RWKCBGDSUADBOV-SFHVURJKSA-N 2 2 364.534 1.166 50 0 FDAALP OCCC[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072167772 522193962 /nfs/dbraw/zinc/19/39/62/522193962.db2.gz BOZUUJCHVGXTCJ-SFHVURJKSA-N 2 2 361.486 1.380 50 0 FDAALP OCCC[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072167772 522193970 /nfs/dbraw/zinc/19/39/70/522193970.db2.gz BOZUUJCHVGXTCJ-SFHVURJKSA-N 2 2 361.486 1.380 50 0 FDAALP O[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(C[NH+]4CCOCC4)c3)CC2)C1 ZINC000072418000 522244443 /nfs/dbraw/zinc/24/44/43/522244443.db2.gz LAWXROMCYSFISS-QFIPXVFZSA-N 2 2 373.541 1.940 50 0 FDAALP O[C@H]1CCC[N@H+](C2CCN(Cc3cccc(C[NH+]4CCOCC4)c3)CC2)C1 ZINC000072418000 522244456 /nfs/dbraw/zinc/24/44/56/522244456.db2.gz LAWXROMCYSFISS-QFIPXVFZSA-N 2 2 373.541 1.940 50 0 FDAALP COc1cc2c(cc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OCCCO2 ZINC000072420396 522250211 /nfs/dbraw/zinc/25/02/11/522250211.db2.gz NVPVBQRVYHZTKD-LJQANCHMSA-N 2 2 350.459 1.745 50 0 FDAALP COc1cc2c(cc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OCCCO2 ZINC000072420396 522250219 /nfs/dbraw/zinc/25/02/19/522250219.db2.gz NVPVBQRVYHZTKD-LJQANCHMSA-N 2 2 350.459 1.745 50 0 FDAALP Cc1[nH+]ccn1CCC1CC[NH+]([C@H]2CN(C3CCOCC3)C[C@@H]2O)CC1 ZINC000072426471 522262170 /nfs/dbraw/zinc/26/21/70/522262170.db2.gz NNBJUQYQVPZENK-PMACEKPBSA-N 2 2 362.518 1.518 50 0 FDAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000091678003 523209136 /nfs/dbraw/zinc/20/91/36/523209136.db2.gz VBBNPFJTTBZVHZ-UHFFFAOYSA-N 2 2 354.462 1.656 50 0 FDAALP [NH3+]CCn1cc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000077287133 523284980 /nfs/dbraw/zinc/28/49/80/523284980.db2.gz QQGVBXHACMOJNX-UHFFFAOYSA-N 2 2 367.457 1.817 50 0 FDAALP Cc1ccccc1C[NH+]1CCC(c2nnc(C[N@H+](C)CCO)n2C)CC1 ZINC000077538290 523378180 /nfs/dbraw/zinc/37/81/80/523378180.db2.gz SSAFCIYPOGLYTH-UHFFFAOYSA-N 2 2 357.502 1.927 50 0 FDAALP Cc1ccccc1C[NH+]1CCC(c2nnc(C[N@@H+](C)CCO)n2C)CC1 ZINC000077538290 523378186 /nfs/dbraw/zinc/37/81/86/523378186.db2.gz SSAFCIYPOGLYTH-UHFFFAOYSA-N 2 2 357.502 1.927 50 0 FDAALP COCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000091952393 524818527 /nfs/dbraw/zinc/81/85/27/524818527.db2.gz DLBLNATXTIRIMZ-LJQANCHMSA-N 2 2 368.481 1.950 50 0 FDAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000092080640 524845522 /nfs/dbraw/zinc/84/55/22/524845522.db2.gz PEQRXOQYGXTVLN-UHFFFAOYSA-N 2 2 370.461 1.922 50 0 FDAALP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC000020600941 525031891 /nfs/dbraw/zinc/03/18/91/525031891.db2.gz UPJHIVOTRQAIEF-NHCUHLMSSA-N 2 2 369.513 1.363 50 0 FDAALP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC000020600941 525031896 /nfs/dbraw/zinc/03/18/96/525031896.db2.gz UPJHIVOTRQAIEF-NHCUHLMSSA-N 2 2 369.513 1.363 50 0 FDAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000095500593 525083583 /nfs/dbraw/zinc/08/35/83/525083583.db2.gz JHYPFBJDRCUABD-UHFFFAOYSA-N 2 2 365.437 1.800 50 0 FDAALP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)CC1 ZINC000097654147 525191036 /nfs/dbraw/zinc/19/10/36/525191036.db2.gz FEWHPXYQEAKOCY-HNNXBMFYSA-N 2 2 357.458 1.770 50 0 FDAALP C[C@@H]1C[N@H+](C2CCN(C(=O)CC3=CSC4=[NH+]CCN34)CC2)C[C@H](C)O1 ZINC000102562858 525292597 /nfs/dbraw/zinc/29/25/97/525292597.db2.gz KLZJWQRCYLXWLJ-OKILXGFUSA-N 2 2 364.515 1.737 50 0 FDAALP C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3=CSC4=[NH+]CCN34)CC2)C[C@H](C)O1 ZINC000102562858 525292605 /nfs/dbraw/zinc/29/26/05/525292605.db2.gz KLZJWQRCYLXWLJ-OKILXGFUSA-N 2 2 364.515 1.737 50 0 FDAALP Cn1cc(C(=O)NCC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cn1 ZINC000179950798 525647568 /nfs/dbraw/zinc/64/75/68/525647568.db2.gz SLVGFNLMFHJXKS-UHFFFAOYSA-N 2 2 352.442 1.710 50 0 FDAALP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000584900953 551567411 /nfs/dbraw/zinc/56/74/11/551567411.db2.gz DNVKWEGQHAQQSW-KRWDZBQOSA-N 2 2 374.533 1.512 50 0 FDAALP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000584900953 551567413 /nfs/dbraw/zinc/56/74/13/551567413.db2.gz DNVKWEGQHAQQSW-KRWDZBQOSA-N 2 2 374.533 1.512 50 0 FDAALP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000620916529 556005493 /nfs/dbraw/zinc/00/54/93/556005493.db2.gz YGDXPROTIQAWCF-HNNXBMFYSA-N 2 2 370.457 1.378 50 0 FDAALP Cc1cc(N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2O)nc(N2CCCC2)[nH+]1 ZINC000426574946 571132019 /nfs/dbraw/zinc/13/20/19/571132019.db2.gz CRBQXUYEGWVPMM-HZPDHXFCSA-N 2 2 374.514 1.889 50 0 FDAALP Cc1cc(N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2O)nc(N2CCCC2)[nH+]1 ZINC000426574946 571132022 /nfs/dbraw/zinc/13/20/22/571132022.db2.gz CRBQXUYEGWVPMM-HZPDHXFCSA-N 2 2 374.514 1.889 50 0 FDAALP Nc1nc(NCCCc2[nH]c3ccc(F)cc3[nH+]2)cc([C@H]2CCOC2)[nH+]1 ZINC000426658279 571138496 /nfs/dbraw/zinc/13/84/96/571138496.db2.gz HIOMVGMSXGPPEZ-NSHDSACASA-N 2 2 356.405 2.045 50 0 FDAALP CCCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000012703904 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O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071738482 221356745 /nfs/dbraw/zinc/35/67/45/221356745.db2.gz JSUOCQLCMPIUKO-HNNXBMFYSA-N 2 2 359.474 1.139 50 0 FDAALP COCCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071735795 221357074 /nfs/dbraw/zinc/35/70/74/221357074.db2.gz SQQHHSYZCADOLY-IBGZPJMESA-N 2 2 374.529 1.911 50 0 FDAALP COCCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071735795 221357077 /nfs/dbraw/zinc/35/70/77/221357077.db2.gz SQQHHSYZCADOLY-IBGZPJMESA-N 2 2 374.529 1.911 50 0 FDAALP C[N@H+](CC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1)C1CC[NH2+]CC1 ZINC000071753676 221364357 /nfs/dbraw/zinc/36/43/57/221364357.db2.gz PSMPUQNDOVRART-QGZVFWFLSA-N 2 2 365.905 1.794 50 0 FDAALP C[N@@H+](CC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1)C1CC[NH2+]CC1 ZINC000071753676 221364359 /nfs/dbraw/zinc/36/43/59/221364359.db2.gz PSMPUQNDOVRART-QGZVFWFLSA-N 2 2 365.905 1.794 50 0 FDAALP CCCc1cc(N2CCC([NH2+]CC3(O)CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000095508432 132212781 /nfs/dbraw/zinc/21/27/81/132212781.db2.gz JOQGYPJKNUTBPW-UHFFFAOYSA-N 3 2 361.534 1.753 50 0 FDAALP Cc1cccnc1C[NH+]1CCN(c2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000095509336 132212997 /nfs/dbraw/zinc/21/29/97/132212997.db2.gz IVMYDYFUIGYNAW-INIZCTEOSA-N 2 2 354.458 1.073 50 0 FDAALP COc1ccc([C@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2OC)cc1OC ZINC000003076373 132384757 /nfs/dbraw/zinc/38/47/57/132384757.db2.gz KFYMGFXGGWZEQJ-INIZCTEOSA-N 2 2 355.398 1.861 50 0 FDAALP Cc1cc(N2CC[N@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072411006 136145520 /nfs/dbraw/zinc/14/55/20/136145520.db2.gz WJBZIZZRHGNUDQ-CQSZACIVSA-N 2 2 363.412 1.719 50 0 FDAALP Cc1cc(N2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072411006 136145521 /nfs/dbraw/zinc/14/55/21/136145521.db2.gz WJBZIZZRHGNUDQ-CQSZACIVSA-N 2 2 363.412 1.719 50 0 FDAALP CCCc1cc(N[C@@H]2C[C@@H](C(=O)NC)[N@@H+](C3CCOCC3)C2)nc(C)[nH+]1 ZINC000096131812 222036631 /nfs/dbraw/zinc/03/66/31/222036631.db2.gz WOSXPZLXCCVKGC-WBVHZDCISA-N 2 2 361.490 1.517 50 0 FDAALP CCCc1cc(N[C@@H]2C[C@@H](C(=O)NC)[N@H+](C3CCOCC3)C2)nc(C)[nH+]1 ZINC000096131812 222036635 /nfs/dbraw/zinc/03/66/35/222036635.db2.gz WOSXPZLXCCVKGC-WBVHZDCISA-N 2 2 361.490 1.517 50 0 FDAALP Cc1cc[nH+]c(NCCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)(C)C)c1 ZINC000072167734 522195268 /nfs/dbraw/zinc/19/52/68/522195268.db2.gz QJPVFPDIEXBBCB-OAHLLOKOSA-N 2 2 361.490 1.155 50 0 FDAALP Cc1cc[nH+]c(NCCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)c1 ZINC000072167734 522195272 /nfs/dbraw/zinc/19/52/72/522195272.db2.gz QJPVFPDIEXBBCB-OAHLLOKOSA-N 2 2 361.490 1.155 50 0 FDAALP C[NH2+][C@@H](C)C(=O)N1CCn2nc(C[N@H+](C)Cc3cccc(OC)c3)cc2C1 ZINC000072409945 522241918 /nfs/dbraw/zinc/24/19/18/522241918.db2.gz AAMYOLAHSFTLMS-HNNXBMFYSA-N 2 2 371.485 1.474 50 0 FDAALP C[NH2+][C@@H](C)C(=O)N1CCn2nc(C[N@@H+](C)Cc3cccc(OC)c3)cc2C1 ZINC000072409945 522241930 /nfs/dbraw/zinc/24/19/30/522241930.db2.gz AAMYOLAHSFTLMS-HNNXBMFYSA-N 2 2 371.485 1.474 50 0 FDAALP Nc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)c2c([nH+]1)CC[NH2+]CC2 ZINC000072418773 522248716 /nfs/dbraw/zinc/24/87/16/522248716.db2.gz LYFFIWJPBGZTRC-UHFFFAOYSA-N 2 2 354.389 1.340 50 0 FDAALP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1C ZINC000072426758 522261386 /nfs/dbraw/zinc/26/13/86/522261386.db2.gz FHBDAWRIDCOMFD-KRWDZBQOSA-N 3 2 360.502 1.739 50 0 FDAALP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1C ZINC000072426758 522261392 /nfs/dbraw/zinc/26/13/92/522261392.db2.gz FHBDAWRIDCOMFD-KRWDZBQOSA-N 3 2 360.502 1.739 50 0 FDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000072474962 522296226 /nfs/dbraw/zinc/29/62/26/522296226.db2.gz FTAMRBHIQRSUHT-OAHLLOKOSA-N 2 2 357.458 1.985 50 0 FDAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000072474962 522296237 /nfs/dbraw/zinc/29/62/37/522296237.db2.gz FTAMRBHIQRSUHT-OAHLLOKOSA-N 2 2 357.458 1.985 50 0 FDAALP CCS[C@H]1CCCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075610590 522943420 /nfs/dbraw/zinc/94/34/20/522943420.db2.gz LOAMABXCLSQWMO-INIZCTEOSA-N 2 2 357.564 1.821 50 0 FDAALP CCS[C@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075610590 522943421 /nfs/dbraw/zinc/94/34/21/522943421.db2.gz LOAMABXCLSQWMO-INIZCTEOSA-N 2 2 357.564 1.821 50 0 FDAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000091562900 523205886 /nfs/dbraw/zinc/20/58/86/523205886.db2.gz JAIHNYSBDQBOMW-UHFFFAOYSA-N 2 2 366.473 1.900 50 0 FDAALP C[N@@H+]1CCN2CCN(Cc3ccc(OCCn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000244678646 523930973 /nfs/dbraw/zinc/93/09/73/523930973.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 2 2 355.486 1.394 50 0 FDAALP C[N@H+]1CCN2CCN(Cc3ccc(OCCn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000244678646 523930976 /nfs/dbraw/zinc/93/09/76/523930976.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 2 2 355.486 1.394 50 0 FDAALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000244678646 523930980 /nfs/dbraw/zinc/93/09/80/523930980.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 3 2 355.486 1.394 50 0 FDAALP C[N@H+]1CCN2CC[NH+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000244678646 523930986 /nfs/dbraw/zinc/93/09/86/523930986.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 3 2 355.486 1.394 50 0 FDAALP C[NH+]1CCN2CC[N@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000244678646 523930990 /nfs/dbraw/zinc/93/09/90/523930990.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 3 2 355.486 1.394 50 0 FDAALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000244678646 523930993 /nfs/dbraw/zinc/93/09/93/523930993.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 3 2 355.486 1.394 50 0 FDAALP C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000091493083 524717910 /nfs/dbraw/zinc/71/79/10/524717910.db2.gz ZMDYYYKWEASIGR-MSOLQXFVSA-N 2 2 371.529 1.631 50 0 FDAALP C[N@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000091493083 524717920 /nfs/dbraw/zinc/71/79/20/524717920.db2.gz ZMDYYYKWEASIGR-MSOLQXFVSA-N 2 2 371.529 1.631 50 0 FDAALP C[NH+]1CCCN(C[C@H]2C[C@H](CO)C[N@H+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000091493083 524717928 /nfs/dbraw/zinc/71/79/28/524717928.db2.gz ZMDYYYKWEASIGR-MSOLQXFVSA-N 2 2 371.529 1.631 50 0 FDAALP C[NH+]1CCCN(C[C@H]2C[C@H](CO)C[N@@H+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000091493083 524717939 /nfs/dbraw/zinc/71/79/39/524717939.db2.gz ZMDYYYKWEASIGR-MSOLQXFVSA-N 2 2 371.529 1.631 50 0 FDAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000092097700 524847278 /nfs/dbraw/zinc/84/72/78/524847278.db2.gz ZRXPGXKFJVYRRU-UHFFFAOYSA-N 3 2 357.506 1.783 50 0 FDAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587170 524972146 /nfs/dbraw/zinc/97/21/46/524972146.db2.gz MSEQUCXALZHGHE-IZZBFERCSA-N 2 2 362.514 1.853 50 0 FDAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587170 524972156 /nfs/dbraw/zinc/97/21/56/524972156.db2.gz MSEQUCXALZHGHE-IZZBFERCSA-N 2 2 362.514 1.853 50 0 FDAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587170 524972170 /nfs/dbraw/zinc/97/21/70/524972170.db2.gz MSEQUCXALZHGHE-IZZBFERCSA-N 2 2 362.514 1.853 50 0 FDAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587170 524972183 /nfs/dbraw/zinc/97/21/83/524972183.db2.gz MSEQUCXALZHGHE-IZZBFERCSA-N 2 2 362.514 1.853 50 0 FDAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000095384730 525057796 /nfs/dbraw/zinc/05/77/96/525057796.db2.gz PGXABXAKYOPKFT-UHFFFAOYSA-N 2 2 357.458 1.543 50 0 FDAALP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000095462208 525074061 /nfs/dbraw/zinc/07/40/61/525074061.db2.gz VSOVFGNJKMPMIV-UHFFFAOYSA-N 2 2 360.907 1.537 50 0 FDAALP CC1=CC[N@H+](Cc2ccc(OC[C@@H](O)C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000095498676 525079727 /nfs/dbraw/zinc/07/97/27/525079727.db2.gz AUWKXKFHVUMMIS-FQEVSTJZSA-N 2 2 359.514 1.826 50 0 FDAALP CC1=CC[N@@H+](Cc2ccc(OC[C@@H](O)C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000095498676 525079738 /nfs/dbraw/zinc/07/97/38/525079738.db2.gz AUWKXKFHVUMMIS-FQEVSTJZSA-N 2 2 359.514 1.826 50 0 FDAALP O=C(NCc1cc2n(n1)CCC[NH2+]C2)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000082127349 526645622 /nfs/dbraw/zinc/64/56/22/526645622.db2.gz YSEHISYNKUELFM-HNNXBMFYSA-N 2 2 354.458 1.304 50 0 FDAALP Nc1cc[nH+]c(N2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)n1 ZINC000091452269 527535915 /nfs/dbraw/zinc/53/59/15/527535915.db2.gz LEEJRASQAIQNMP-UHFFFAOYSA-N 2 2 365.445 1.614 50 0 FDAALP CN(C)c1cc[nH+]c(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230145811 536154894 /nfs/dbraw/zinc/15/48/94/536154894.db2.gz FAZGVHJNAMQNIK-HXUWFJFHSA-N 2 2 372.517 1.456 50 0 FDAALP CN(C)c1cc[nH+]c(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230145811 536154897 /nfs/dbraw/zinc/15/48/97/536154897.db2.gz FAZGVHJNAMQNIK-HXUWFJFHSA-N 2 2 372.517 1.456 50 0 FDAALP C[NH+]1CCN(c2cc(N3CCC[C@](CO)(CC4CC4)C3)[nH+]c(N)n2)CC1 ZINC000092038557 536419628 /nfs/dbraw/zinc/41/96/28/536419628.db2.gz IGBZLNSARJREOD-IBGZPJMESA-N 2 2 360.506 1.190 50 0 FDAALP Cc1noc([C@@]23C[N@H+](Cc4cccnc4)C[C@@H]2CC[NH+](CCCO)C3)n1 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CNc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)n1 ZINC000072462709 136148646 /nfs/dbraw/zinc/14/86/46/136148646.db2.gz KWXQCDDLDUHMRE-DZGCQCFKSA-N 2 2 355.446 1.301 50 0 FDAALP CNc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)n1 ZINC000072462709 136148647 /nfs/dbraw/zinc/14/86/47/136148647.db2.gz KWXQCDDLDUHMRE-DZGCQCFKSA-N 2 2 355.446 1.301 50 0 FDAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000072479225 136149474 /nfs/dbraw/zinc/14/94/74/136149474.db2.gz XWGBGEADAXWXCV-AWEZNQCLSA-N 2 2 356.478 1.557 50 0 FDAALP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000102579273 222300326 /nfs/dbraw/zinc/30/03/26/222300326.db2.gz VVSZQQSPSPTITA-PIIMJCKOSA-N 2 2 351.454 1.498 50 0 FDAALP O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004487597 518299841 /nfs/dbraw/zinc/29/98/41/518299841.db2.gz ROUPVEVEXKIBOB-IPMKNSEASA-N 2 2 370.497 1.120 50 0 FDAALP COc1cc(C[NH2+]CCC(C)C)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011661429 518566669 /nfs/dbraw/zinc/56/66/69/518566669.db2.gz HBWAETLDPPZSRE-GOSISDBHSA-N 2 2 366.502 1.903 50 0 FDAALP Cn1ncc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1=O ZINC000020907078 518861741 /nfs/dbraw/zinc/86/17/41/518861741.db2.gz OZEDYHPIDGGMHO-UHFFFAOYSA-N 2 2 350.426 1.288 50 0 FDAALP CC[NH+]1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC(=O)N2)CC1 ZINC000019938236 521672388 /nfs/dbraw/zinc/67/23/88/521672388.db2.gz TWYIHJKRGPYAMM-QGZVFWFLSA-N 2 2 371.485 1.631 50 0 FDAALP Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cn3c(n2)C[NH2+]CC3)C1 ZINC000072124218 522156967 /nfs/dbraw/zinc/15/69/67/522156967.db2.gz ZIXYARBJKLIMGT-MRXNPFEDSA-N 2 2 353.470 1.514 50 0 FDAALP Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cn3c(n2)C[NH2+]CC3)C1 ZINC000072124218 522156976 /nfs/dbraw/zinc/15/69/76/522156976.db2.gz ZIXYARBJKLIMGT-MRXNPFEDSA-N 2 2 353.470 1.514 50 0 FDAALP C[NH+](C)CCNc1nc(N)[nH+]c2c1CCN(C(=O)C[C@@H]1C=CCC1)CC2 ZINC000072406946 522235872 /nfs/dbraw/zinc/23/58/72/522235872.db2.gz WFWCLWJZSJDPHD-CQSZACIVSA-N 2 2 358.490 1.316 50 0 FDAALP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000046485382 522309277 /nfs/dbraw/zinc/30/92/77/522309277.db2.gz CGFOTAHFYIXVCY-SFHVURJKSA-N 2 2 360.502 1.543 50 0 FDAALP Cc1nnsc1C(=O)NCCNc1cc(-n2c[nH+]c(C)c2C)nc[nH+]1 ZINC000077134132 523249608 /nfs/dbraw/zinc/24/96/08/523249608.db2.gz ILWDWYGLZVPFGV-UHFFFAOYSA-N 2 2 358.431 1.281 50 0 FDAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000077287860 523287602 /nfs/dbraw/zinc/28/76/02/523287602.db2.gz PGLZHSHLVCLEJT-UHFFFAOYSA-N 2 2 355.446 1.793 50 0 FDAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000077519733 523371312 /nfs/dbraw/zinc/37/13/12/523371312.db2.gz IIVOFMDBOQKXEE-UHFFFAOYSA-N 2 2 369.513 1.586 50 0 FDAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000077519733 523371323 /nfs/dbraw/zinc/37/13/23/523371323.db2.gz IIVOFMDBOQKXEE-UHFFFAOYSA-N 2 2 369.513 1.586 50 0 FDAALP CC[N@@H+]1CCC[C@@H](C[NH+]2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092809 524209589 /nfs/dbraw/zinc/20/95/89/524209589.db2.gz DKUGROOLZDSFPK-MRXNPFEDSA-N 2 2 363.506 1.083 50 0 FDAALP CC[N@H+]1CCC[C@@H](C[NH+]2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092809 524209597 /nfs/dbraw/zinc/20/95/97/524209597.db2.gz DKUGROOLZDSFPK-MRXNPFEDSA-N 2 2 363.506 1.083 50 0 FDAALP CC[NH+]1CCC[C@@H](C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092809 524209606 /nfs/dbraw/zinc/20/96/06/524209606.db2.gz DKUGROOLZDSFPK-MRXNPFEDSA-N 2 2 363.506 1.083 50 0 FDAALP CC[NH+]1CCC[C@@H](C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092809 524209616 /nfs/dbraw/zinc/20/96/16/524209616.db2.gz DKUGROOLZDSFPK-MRXNPFEDSA-N 2 2 363.506 1.083 50 0 FDAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000091358873 524693989 /nfs/dbraw/zinc/69/39/89/524693989.db2.gz SIAAQQFDIDRFLF-JKSUJKDBSA-N 2 2 358.442 1.030 50 0 FDAALP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1CO ZINC000091769831 524779288 /nfs/dbraw/zinc/77/92/88/524779288.db2.gz XEXKSVVBPIRHNV-ZIAGYGMSSA-N 2 2 364.383 1.809 50 0 FDAALP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1CO ZINC000091769831 524779297 /nfs/dbraw/zinc/77/92/97/524779297.db2.gz XEXKSVVBPIRHNV-ZIAGYGMSSA-N 2 2 364.383 1.809 50 0 FDAALP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1CO ZINC000091769831 524779308 /nfs/dbraw/zinc/77/93/08/524779308.db2.gz XEXKSVVBPIRHNV-ZIAGYGMSSA-N 2 2 364.383 1.809 50 0 FDAALP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1CO ZINC000091769831 524779318 /nfs/dbraw/zinc/77/93/18/524779318.db2.gz XEXKSVVBPIRHNV-ZIAGYGMSSA-N 2 2 364.383 1.809 50 0 FDAALP c1cn(-c2ccc(C[N@@H+]3CCCO[C@@H](CN4CCOCC4)C3)cc2)c[nH+]1 ZINC000215810821 537440775 /nfs/dbraw/zinc/44/07/75/537440775.db2.gz VALXMQPQLALZTD-FQEVSTJZSA-N 2 2 356.470 1.795 50 0 FDAALP c1cn(-c2ccc(C[N@H+]3CCCO[C@@H](CN4CCOCC4)C3)cc2)c[nH+]1 ZINC000215810821 537440780 /nfs/dbraw/zinc/44/07/80/537440780.db2.gz VALXMQPQLALZTD-FQEVSTJZSA-N 2 2 356.470 1.795 50 0 FDAALP Cc1nc(C2CC[NH+](Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C)CC2)cc(=O)[nH]1 ZINC000220204382 537485555 /nfs/dbraw/zinc/48/55/55/537485555.db2.gz GTXBPPCGWJXQJO-OKILXGFUSA-N 2 2 357.462 1.203 50 0 FDAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000221353458 537500644 /nfs/dbraw/zinc/50/06/44/537500644.db2.gz TWVCCNSEDBHKMR-KRWDZBQOSA-N 2 2 358.442 1.613 50 0 FDAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000221353458 537500649 /nfs/dbraw/zinc/50/06/49/537500649.db2.gz TWVCCNSEDBHKMR-KRWDZBQOSA-N 2 2 358.442 1.613 50 0 FDAALP Cc1ccc(C[N@H+](C)CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000223456419 537526993 /nfs/dbraw/zinc/52/69/93/537526993.db2.gz AUSDETJZKXWRSY-FQEVSTJZSA-N 2 2 359.514 1.998 50 0 FDAALP Cc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000223456419 537526996 /nfs/dbraw/zinc/52/69/96/537526996.db2.gz AUSDETJZKXWRSY-FQEVSTJZSA-N 2 2 359.514 1.998 50 0 FDAALP 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ZINC000012056898 873530369 /nfs/dbraw/zinc/53/03/69/873530369.db2.gz PTMHDYYQYKUEHO-MRXNPFEDSA-N 2 2 370.501 1.635 50 0 FDAALP Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccco1)CCO2 ZINC000827921427 924776472 /nfs/dbraw/zinc/77/64/72/924776472.db2.gz WTXPWDGYQMQITG-UHFFFAOYSA-N 2 2 358.442 1.678 50 0 FDAALP Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccco1)CCO2 ZINC000827921427 924776477 /nfs/dbraw/zinc/77/64/77/924776477.db2.gz WTXPWDGYQMQITG-UHFFFAOYSA-N 2 2 358.442 1.678 50 0 FDAALP CN(C)C(=O)CN1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCC1=O ZINC000952982392 960296322 /nfs/dbraw/zinc/29/63/22/960296322.db2.gz OXEBMDZNJQJYMD-KRWDZBQOSA-N 2 2 369.469 1.431 50 0 FDAALP CCCN(Cc1[nH+]ccn1C)C(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000534633006 540392079 /nfs/dbraw/zinc/39/20/79/540392079.db2.gz SPDVSCVZUGGTLY-UHFFFAOYSA-N 2 2 363.506 1.987 50 0 FDAALP CCc1[nH+]ccn1CCCNC(=O)c1ccc(-c2cc(N)nc(N)[nH+]2)cc1 ZINC000534640122 540393748 /nfs/dbraw/zinc/39/37/48/540393748.db2.gz AJUVGVFSOTYLHU-UHFFFAOYSA-N 2 2 365.441 1.548 50 0 FDAALP O[C@H](C[NH2+]CC[NH2+]C[C@H](O)COc1ccccc1)COc1ccccc1 ZINC000022924038 211369758 /nfs/dbraw/zinc/36/97/58/211369758.db2.gz ZRTJDAGDIFOGTM-HDICACEKSA-N 2 2 360.454 1.045 50 0 FDAALP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)no1 ZINC000022025105 211335488 /nfs/dbraw/zinc/33/54/88/211335488.db2.gz OCTPXOROWOUOIJ-OAHLLOKOSA-N 2 2 358.442 1.932 50 0 FDAALP [NH2+]=c1n(CC[NH+]2CCOCC2)c2ccccc2n1C[C@H](O)c1ccco1 ZINC000000845918 210280375 /nfs/dbraw/zinc/28/03/75/210280375.db2.gz NNEIBXZREJEQDQ-KRWDZBQOSA-N 2 2 356.426 1.581 50 0 FDAALP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cc1 ZINC000065459807 221221892 /nfs/dbraw/zinc/22/18/92/221221892.db2.gz PLAQGNWBIYJOBO-QGZVFWFLSA-N 2 2 356.470 1.896 50 0 FDAALP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCC(O)CC3)on2)C1 ZINC000067881257 221299386 /nfs/dbraw/zinc/29/93/86/221299386.db2.gz KIQJEPKCJXNFOF-CQSZACIVSA-N 2 2 350.463 1.188 50 0 FDAALP CCN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 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C[N@@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000097574971 222193933 /nfs/dbraw/zinc/19/39/33/222193933.db2.gz ZIFQPFDVRSUHIC-UHFFFAOYSA-N 2 2 354.458 1.187 50 0 FDAALP C[N@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000097574971 222193936 /nfs/dbraw/zinc/19/39/36/222193936.db2.gz ZIFQPFDVRSUHIC-UHFFFAOYSA-N 2 2 354.458 1.187 50 0 FDAALP COc1ccccc1N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000025414691 519062408 /nfs/dbraw/zinc/06/24/08/519062408.db2.gz PLNDWWYYTXFBQZ-UHFFFAOYSA-N 2 2 372.513 1.560 50 0 FDAALP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000032311521 519494984 /nfs/dbraw/zinc/49/49/84/519494984.db2.gz SIAAQQFDIDRFLF-HZPDHXFCSA-N 2 2 358.442 1.030 50 0 FDAALP CC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cs1 ZINC000039543240 519637226 /nfs/dbraw/zinc/63/72/26/519637226.db2.gz IMWKMCGCAJCXJH-GOSISDBHSA-N 2 2 365.543 1.914 50 0 FDAALP CC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cs1 ZINC000039543240 519637227 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0 FDAALP CCS[C@@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075610588 522941830 /nfs/dbraw/zinc/94/18/30/522941830.db2.gz LOAMABXCLSQWMO-MRXNPFEDSA-N 2 2 357.564 1.821 50 0 FDAALP CCCCc1nc(NCCNc2nc3c(c(=O)[nH]2)CC[NH2+]C3)cc(C)[nH+]1 ZINC000077353639 523306812 /nfs/dbraw/zinc/30/68/12/523306812.db2.gz ASOLYJASXTZCIT-UHFFFAOYSA-N 2 2 357.462 1.381 50 0 FDAALP CO[C@H]1C[N@H+](Cc2nnc(CC3CC[NH2+]CC3)n2-c2ccccc2)C[C@@H]1O ZINC000055154055 523756889 /nfs/dbraw/zinc/75/68/89/523756889.db2.gz QUDZTJGLYGRIQE-ROUUACIJSA-N 2 2 371.485 1.001 50 0 FDAALP CO[C@H]1C[N@@H+](Cc2nnc(CC3CC[NH2+]CC3)n2-c2ccccc2)C[C@@H]1O ZINC000055154055 523756895 /nfs/dbraw/zinc/75/68/95/523756895.db2.gz QUDZTJGLYGRIQE-ROUUACIJSA-N 2 2 371.485 1.001 50 0 FDAALP Cc1ccc([C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[NH+](C)C)cc1 ZINC000091769898 524778627 /nfs/dbraw/zinc/77/86/27/524778627.db2.gz ZFRAFLYZNFAVHE-GOSISDBHSA-N 2 2 356.474 1.034 50 0 FDAALP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3F)C[C@@H]2CO)CC1 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KVJUYOITUDHDTG-KRWDZBQOSA-N 2 2 374.533 1.309 50 0 FDAALP CN(C)c1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000095499381 525082311 /nfs/dbraw/zinc/08/23/11/525082311.db2.gz KVJUYOITUDHDTG-KRWDZBQOSA-N 2 2 374.533 1.309 50 0 FDAALP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000034684750 535889402 /nfs/dbraw/zinc/88/94/02/535889402.db2.gz UTHSYGMZZIIKTK-UHFFFAOYSA-N 2 2 356.470 1.893 50 0 FDAALP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](Cc3cc(C)no3)CC2)[C@H](CO)C1 ZINC000215111964 537435739 /nfs/dbraw/zinc/43/57/39/537435739.db2.gz PHIVOHHQVDUUQE-INIZCTEOSA-N 2 2 365.474 1.443 50 0 FDAALP CCOC(=O)C[N@H+]1CCC2(CC[NH+](Cc3cc(C)no3)CC2)[C@H](CO)C1 ZINC000215111964 537435743 /nfs/dbraw/zinc/43/57/43/537435743.db2.gz PHIVOHHQVDUUQE-INIZCTEOSA-N 2 2 365.474 1.443 50 0 FDAALP Cc1nc(NCC2([NH+]3CCN(C)CC3)CCCC2)cc(C2CC(O)C2)[nH+]1 ZINC000223490007 537527069 /nfs/dbraw/zinc/52/70/69/537527069.db2.gz SKQMIAFRQGJSHV-UHFFFAOYSA-N 2 2 359.518 1.995 50 0 FDAALP 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368.506 1.948 50 0 FDAALP Cc1cc(N2CC[N@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000106954294 525080057 /nfs/dbraw/zinc/08/00/57/525080057.db2.gz WJBZIZZRHGNUDQ-AWEZNQCLSA-N 2 2 363.412 1.719 50 0 FDAALP Cc1cc(N2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000106954294 525080067 /nfs/dbraw/zinc/08/00/67/525080067.db2.gz WJBZIZZRHGNUDQ-AWEZNQCLSA-N 2 2 363.412 1.719 50 0 FDAALP O=C(c1cccc(OC2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c1)N1CCOCC1 ZINC000095496954 525080962 /nfs/dbraw/zinc/08/09/62/525080962.db2.gz SEMMXFLQKYVUJD-SFHVURJKSA-N 2 2 373.497 1.754 50 0 FDAALP COc1cccc(C[N@H+](C)CC2CC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095504129 525089026 /nfs/dbraw/zinc/08/90/26/525089026.db2.gz UZZGRQHZLPQJFD-GOSISDBHSA-N 2 2 364.486 1.609 50 0 FDAALP COc1cccc(C[N@@H+](C)CC2CC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095504129 525089034 /nfs/dbraw/zinc/08/90/34/525089034.db2.gz UZZGRQHZLPQJFD-GOSISDBHSA-N 2 2 364.486 1.609 50 0 FDAALP c1cn(-c2ccc(C[N@@H+]3CCCO[C@H](CN4CCOCC4)C3)cc2)c[nH+]1 ZINC000215810771 537440880 /nfs/dbraw/zinc/44/08/80/537440880.db2.gz VALXMQPQLALZTD-HXUWFJFHSA-N 2 2 356.470 1.795 50 0 FDAALP c1cn(-c2ccc(C[N@H+]3CCCO[C@H](CN4CCOCC4)C3)cc2)c[nH+]1 ZINC000215810771 537440888 /nfs/dbraw/zinc/44/08/88/537440888.db2.gz VALXMQPQLALZTD-HXUWFJFHSA-N 2 2 356.470 1.795 50 0 FDAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc3nonc31)C2 ZINC000218939901 537469312 /nfs/dbraw/zinc/46/93/12/537469312.db2.gz CQDCRPQOXLLVSP-QGZVFWFLSA-N 2 2 356.430 1.420 50 0 FDAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc3nonc31)C2 ZINC000218939901 537469321 /nfs/dbraw/zinc/46/93/21/537469321.db2.gz CQDCRPQOXLLVSP-QGZVFWFLSA-N 2 2 356.430 1.420 50 0 FDAALP CC[C@@H](CO)N(Cc1ccc(C)s1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000215048427 568045993 /nfs/dbraw/zinc/04/59/93/568045993.db2.gz QDXRUTHMSHFIAY-HNNXBMFYSA-N 2 2 353.532 1.840 50 0 FDAALP CC[C@@H](CO)N(Cc1ccc(C)s1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000215048427 568045995 /nfs/dbraw/zinc/04/59/95/568045995.db2.gz QDXRUTHMSHFIAY-HNNXBMFYSA-N 2 2 353.532 1.840 50 0 FDAALP O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1cn2ccccc2[nH+]1 ZINC000426517840 571229749 /nfs/dbraw/zinc/22/97/49/571229749.db2.gz MVDSJINEAFJHLF-HNNXBMFYSA-N 2 2 352.442 1.357 50 0 FDAALP C[N@@H+]1CCC[C@@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)C1 ZINC000823770593 922048244 /nfs/dbraw/zinc/04/82/44/922048244.db2.gz HBWCPVLLZMFNAT-GOSISDBHSA-N 2 2 356.474 1.974 50 0 FDAALP C[N@H+]1CCC[C@@H](NC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)C1 ZINC000823770593 922048256 /nfs/dbraw/zinc/04/82/56/922048256.db2.gz HBWCPVLLZMFNAT-GOSISDBHSA-N 2 2 356.474 1.974 50 0 FDAALP COc1ccc(-n2cc([C@H](C)NC(=O)C[N@H+](C)C3CC[NH2+]CC3)cn2)cc1 ZINC000299757782 223081649 /nfs/dbraw/zinc/08/16/49/223081649.db2.gz NEDXCIBBFFDQLO-HNNXBMFYSA-N 2 2 371.485 1.742 50 0 FDAALP COc1ccc(-n2cc([C@H](C)NC(=O)C[N@@H+](C)C3CC[NH2+]CC3)cn2)cc1 ZINC000299757782 223081652 /nfs/dbraw/zinc/08/16/52/223081652.db2.gz NEDXCIBBFFDQLO-HNNXBMFYSA-N 2 2 371.485 1.742 50 0 FDAALP CCc1ccc(C[N@H+](C)CCn2cc(C(=O)N3CC[NH+](C)CC3)nn2)cc1 ZINC000015002642 220140777 /nfs/dbraw/zinc/14/07/77/220140777.db2.gz GOQMEVHARDBESS-UHFFFAOYSA-N 2 2 370.501 1.360 50 0 FDAALP CCc1ccc(C[N@@H+](C)CCn2cc(C(=O)N3CC[NH+](C)CC3)nn2)cc1 ZINC000015002642 220140780 /nfs/dbraw/zinc/14/07/80/220140780.db2.gz GOQMEVHARDBESS-UHFFFAOYSA-N 2 2 370.501 1.360 50 0 FDAALP Cc1c(C(=O)N2CC[NH+](C)CC2)c(C(F)(F)F)nn1C1CC[NH+](C)CC1 ZINC000049362582 221021611 /nfs/dbraw/zinc/02/16/11/221021611.db2.gz LHMGLOKIBMVHIC-UHFFFAOYSA-N 2 2 373.423 1.865 50 0 FDAALP O=C(c1ccco1)N1CCC[N@@H+](C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)CC1 ZINC000063856905 221143853 /nfs/dbraw/zinc/14/38/53/221143853.db2.gz YLSYNKMLCPSGME-UYAOXDASSA-N 2 2 361.486 1.807 50 0 FDAALP O=C(c1ccco1)N1CCC[N@H+](C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)CC1 ZINC000063856905 221143854 /nfs/dbraw/zinc/14/38/54/221143854.db2.gz YLSYNKMLCPSGME-UYAOXDASSA-N 2 2 361.486 1.807 50 0 FDAALP O=C(c1ccco1)N1CCC[NH+](C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063856905 221143855 /nfs/dbraw/zinc/14/38/55/221143855.db2.gz YLSYNKMLCPSGME-UYAOXDASSA-N 2 2 361.486 1.807 50 0 FDAALP O=C(c1ccco1)N1CCC[NH+](C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063856905 221143859 /nfs/dbraw/zinc/14/38/59/221143859.db2.gz YLSYNKMLCPSGME-UYAOXDASSA-N 2 2 361.486 1.807 50 0 FDAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3[nH+]ccn3C)C2)CC1 ZINC000071422257 221347295 /nfs/dbraw/zinc/34/72/95/221347295.db2.gz UBHDJEIGUOJKCX-QGZVFWFLSA-N 3 2 361.534 1.963 50 0 FDAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N(C)Cc3[nH+]ccn3C)C2)CC1 ZINC000071422257 221347298 /nfs/dbraw/zinc/34/72/98/221347298.db2.gz UBHDJEIGUOJKCX-QGZVFWFLSA-N 3 2 361.534 1.963 50 0 FDAALP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071748826 221360729 /nfs/dbraw/zinc/36/07/29/221360729.db2.gz GQXQVZPDOPMLME-LJQANCHMSA-N 3 2 373.545 1.484 50 0 FDAALP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071748826 221360731 /nfs/dbraw/zinc/36/07/31/221360731.db2.gz GQXQVZPDOPMLME-LJQANCHMSA-N 3 2 373.545 1.484 50 0 FDAALP COCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071750102 221362314 /nfs/dbraw/zinc/36/23/14/221362314.db2.gz SYSOEANLECORPA-IBGZPJMESA-N 2 2 374.529 1.863 50 0 FDAALP COCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071750102 221362315 /nfs/dbraw/zinc/36/23/15/221362315.db2.gz SYSOEANLECORPA-IBGZPJMESA-N 2 2 374.529 1.863 50 0 FDAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000077520652 132188942 /nfs/dbraw/zinc/18/89/42/132188942.db2.gz PZZZOYYUOSUSBU-UHFFFAOYSA-N 2 2 356.478 1.557 50 0 FDAALP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2cc[nH+]cc2F)CC1 ZINC000096153294 132220859 /nfs/dbraw/zinc/22/08/59/132220859.db2.gz MROIXCXZJUIYPX-UHFFFAOYSA-N 2 2 373.480 1.481 50 0 FDAALP Cc1ccc2cc(C[NH+]3CCOCC3)c(N3CC[NH+](CCO)CC3)nc2c1 ZINC000216183437 132271098 /nfs/dbraw/zinc/27/10/98/132271098.db2.gz VCPYDZHQSHQHSX-UHFFFAOYSA-N 2 2 370.497 1.490 50 0 FDAALP COc1cccc(N2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)[nH+]c(N)n3)CC2=O)c1 ZINC000244874414 132291453 /nfs/dbraw/zinc/29/14/53/132291453.db2.gz XAYUDCTZHDROLP-BETUJISGSA-N 2 2 368.441 1.125 50 0 FDAALP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCOCC1 ZINC000060847415 132304171 /nfs/dbraw/zinc/30/41/71/132304171.db2.gz IDZNFPHPWBHHSS-UHFFFAOYSA-N 2 2 374.872 1.869 50 0 FDAALP Nc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc(NC2CC2)[nH+]1 ZINC000072438789 136147592 /nfs/dbraw/zinc/14/75/92/136147592.db2.gz HWXWIQFSQBZZIU-KRWDZBQOSA-N 2 2 368.485 1.706 50 0 FDAALP Nc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cc(NC2CC2)[nH+]1 ZINC000072438789 136147593 /nfs/dbraw/zinc/14/75/93/136147593.db2.gz HWXWIQFSQBZZIU-KRWDZBQOSA-N 2 2 368.485 1.706 50 0 FDAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102315706 222293562 /nfs/dbraw/zinc/29/35/62/222293562.db2.gz VNEGGDMUKQLBCQ-PIIMJCKOSA-N 3 2 358.534 1.539 50 0 FDAALP CCOC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025285503 519050944 /nfs/dbraw/zinc/05/09/44/519050944.db2.gz CKFMCERXPLWCFV-UHFFFAOYSA-N 2 2 373.497 1.606 50 0 FDAALP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCC1(Cn3cc[nH+]c3)CC1)CC[NH+](C)CC2 ZINC000072469793 522289636 /nfs/dbraw/zinc/28/96/36/522289636.db2.gz HBFBWWRVHZIHQK-SFHVURJKSA-N 3 2 373.545 1.976 50 0 FDAALP CCC[N@H+]1CC2(C[C@H]1C(=O)NCC1(Cn3cc[nH+]c3)CC1)CC[NH+](C)CC2 ZINC000072469793 522289639 /nfs/dbraw/zinc/28/96/39/522289639.db2.gz HBFBWWRVHZIHQK-SFHVURJKSA-N 3 2 373.545 1.976 50 0 FDAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3c[nH+]c4ccccn34)C2)CC1 ZINC000020455437 523766188 /nfs/dbraw/zinc/76/61/88/523766188.db2.gz WSVYCCHENZAMAK-MRXNPFEDSA-N 3 2 355.486 1.757 50 0 FDAALP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3c[nH+]c4ccccn34)C2)CC1 ZINC000020455437 523766197 /nfs/dbraw/zinc/76/61/97/523766197.db2.gz WSVYCCHENZAMAK-MRXNPFEDSA-N 3 2 355.486 1.757 50 0 FDAALP O=C1C[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CN1CC[NH+]1CCOCC1 ZINC000172697634 524261818 /nfs/dbraw/zinc/26/18/18/524261818.db2.gz UVSOWIAQGUOTIH-CQSZACIVSA-N 2 2 355.841 1.502 50 0 FDAALP C[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000241587899 524416520 /nfs/dbraw/zinc/41/65/20/524416520.db2.gz OYAUMONTXANTFQ-HVKXIDHRSA-N 2 2 370.538 1.281 50 0 FDAALP C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000241587899 524416533 /nfs/dbraw/zinc/41/65/33/524416533.db2.gz OYAUMONTXANTFQ-HVKXIDHRSA-N 2 2 370.538 1.281 50 0 FDAALP Cc1ncc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cn1 ZINC000095366405 525042524 /nfs/dbraw/zinc/04/25/24/525042524.db2.gz OFDMHOMRMWLTAE-UHFFFAOYSA-N 2 2 356.474 1.953 50 0 FDAALP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000095378436 525052467 /nfs/dbraw/zinc/05/24/67/525052467.db2.gz QAQWWWCGPFUWJI-KRWDZBQOSA-N 2 2 359.518 1.719 50 0 FDAALP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000095378436 525052477 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