smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000257225538 244199915 /nfs/dbraw/zinc/19/99/15/244199915.db2.gz FGQXKUFBQCHTPX-MRXNPFEDSA-N 2 2 328.416 1.627 40 0 EDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107738997 204246900 /nfs/dbraw/zinc/24/69/00/204246900.db2.gz UEPOILGZIKXSFL-ROUUACIJSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107738997 204246904 /nfs/dbraw/zinc/24/69/04/204246904.db2.gz UEPOILGZIKXSFL-ROUUACIJSA-N 2 2 328.416 1.586 40 0 EDABLP O=c1c2ncn(C[NH+]3CCCCC3)c2ncn1C[NH+]1CCCCC1 ZINC000059483922 441228704 /nfs/dbraw/zinc/22/87/04/441228704.db2.gz NAKIIQSHUAOOMY-UHFFFAOYSA-N 2 2 330.436 1.480 40 0 EDABLP Cc1cc(C)c2cc(C[NH2+]CCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000028641165 441435063 /nfs/dbraw/zinc/43/50/63/441435063.db2.gz LOQRCCKYROIAPO-UHFFFAOYSA-N 2 2 329.444 1.957 40 0 EDABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC000257211060 443124752 /nfs/dbraw/zinc/12/47/52/443124752.db2.gz BXIXYDPKHHAVCR-SFHVURJKSA-N 2 2 341.415 1.706 40 0 EDABLP CC(C)C[C@H](NC(=O)[C@H]([NH2+]CC[NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000224555034 486171648 /nfs/dbraw/zinc/17/16/48/486171648.db2.gz UABCFHFXPFDWCS-DLBZAZTESA-N 2 2 348.491 1.729 40 0 EDABLP CNC(=O)c1cccc([C@H]2CN(C3CC[NH+](C)CC3)CC[N@@H+]2C)c1 ZINC000257254015 244275408 /nfs/dbraw/zinc/27/54/08/244275408.db2.gz KBGABUOGFVBGJK-GOSISDBHSA-N 2 2 330.476 1.429 40 0 EDABLP CNC(=O)c1cccc([C@H]2CN(C3CC[NH+](C)CC3)CC[N@H+]2C)c1 ZINC000257254015 244275413 /nfs/dbraw/zinc/27/54/13/244275413.db2.gz KBGABUOGFVBGJK-GOSISDBHSA-N 2 2 330.476 1.429 40 0 EDABLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c[nH+]1 ZINC000108536057 204267622 /nfs/dbraw/zinc/26/76/22/204267622.db2.gz ZLYZKYQNARLUFD-ROUUACIJSA-N 2 2 327.432 1.588 40 0 EDABLP Cc1[nH]c(C[N@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c[nH+]1 ZINC000108536057 204267627 /nfs/dbraw/zinc/26/76/27/204267627.db2.gz ZLYZKYQNARLUFD-ROUUACIJSA-N 2 2 327.432 1.588 40 0 EDABLP COc1cccc(CC(=O)N2Cc3[nH+]ccn3C[C@H](C[NH+](C)C)C2)c1 ZINC000096066899 442014094 /nfs/dbraw/zinc/01/40/94/442014094.db2.gz AOPNFKYPWSFZOV-INIZCTEOSA-N 2 2 342.443 1.654 40 0 EDABLP COc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)c1 ZINC000096108281 442031486 /nfs/dbraw/zinc/03/14/86/442031486.db2.gz WTGOZQVXFUKBHC-MJGOQNOKSA-N 2 2 332.444 1.476 40 0 EDABLP COc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)c1 ZINC000096108281 442031490 /nfs/dbraw/zinc/03/14/90/442031490.db2.gz WTGOZQVXFUKBHC-MJGOQNOKSA-N 2 2 332.444 1.476 40 0 EDABLP COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096108275 442032290 /nfs/dbraw/zinc/03/22/90/442032290.db2.gz FVKBXKNGTIOPFV-MJGOQNOKSA-N 2 2 332.444 1.476 40 0 EDABLP COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000096108275 442032293 /nfs/dbraw/zinc/03/22/93/442032293.db2.gz FVKBXKNGTIOPFV-MJGOQNOKSA-N 2 2 332.444 1.476 40 0 EDABLP CN(C)c1cc(CC[C@@H]2C[N@H+](Cc3cncnc3)CCO2)cc[nH+]1 ZINC000257316079 443144269 /nfs/dbraw/zinc/14/42/69/443144269.db2.gz VEADUDCQNPGTRJ-QGZVFWFLSA-N 2 2 327.432 1.771 40 0 EDABLP CN(C)c1cc(CC[C@@H]2C[N@@H+](Cc3cncnc3)CCO2)cc[nH+]1 ZINC000257316079 443144272 /nfs/dbraw/zinc/14/42/72/443144272.db2.gz VEADUDCQNPGTRJ-QGZVFWFLSA-N 2 2 327.432 1.771 40 0 EDABLP Cc1[nH+]c2ccccn2c1CC(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257332303 443150896 /nfs/dbraw/zinc/15/08/96/443150896.db2.gz XWRUJZNMXBJTBP-SPYBWZPUSA-N 2 2 342.443 1.289 40 0 EDABLP CC[NH+]1CCC(N2CC[N@H+](C)[C@@H](c3cccc(C(=O)NC)c3)C2)CC1 ZINC000257250438 244267348 /nfs/dbraw/zinc/26/73/48/244267348.db2.gz JMNSJGKEBMCNFK-LJQANCHMSA-N 2 2 344.503 1.819 40 0 EDABLP CC[NH+]1CCC(N2CC[N@@H+](C)[C@@H](c3cccc(C(=O)NC)c3)C2)CC1 ZINC000257250438 244267350 /nfs/dbraw/zinc/26/73/50/244267350.db2.gz JMNSJGKEBMCNFK-LJQANCHMSA-N 2 2 344.503 1.819 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585277031 448723097 /nfs/dbraw/zinc/72/30/97/448723097.db2.gz JHONOVFZWUVREA-HXUWFJFHSA-N 2 2 348.487 1.921 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585277031 448723099 /nfs/dbraw/zinc/72/30/99/448723099.db2.gz JHONOVFZWUVREA-HXUWFJFHSA-N 2 2 348.487 1.921 40 0 EDABLP C[NH+](C)C1(CNC(=O)[C@H]2OCOc3ccccc32)CC[NH+](C)CC1 ZINC000036740675 202330744 /nfs/dbraw/zinc/33/07/44/202330744.db2.gz CQLOCLNHTCVQRB-INIZCTEOSA-N 2 2 333.432 1.236 40 0 EDABLP Cc1[nH]c(C[N@@H+]2C[C@H](C(=O)NCc3cccnc3)[C@H]3OCC[C@H]32)c[nH+]1 ZINC000108528199 204266130 /nfs/dbraw/zinc/26/61/30/204266130.db2.gz VXAUHYBTKSPLMG-GVDBMIGSSA-N 2 2 341.415 1.019 40 0 EDABLP Cc1[nH]c(C[N@H+]2C[C@H](C(=O)NCc3cccnc3)[C@H]3OCC[C@H]32)c[nH+]1 ZINC000108528199 204266133 /nfs/dbraw/zinc/26/61/33/204266133.db2.gz VXAUHYBTKSPLMG-GVDBMIGSSA-N 2 2 341.415 1.019 40 0 EDABLP c1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)nc1 ZINC000096057934 442006750 /nfs/dbraw/zinc/00/67/50/442006750.db2.gz JRQZWEWCIWNVSZ-IPMKNSEASA-N 2 2 331.460 1.926 40 0 EDABLP c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)nc1 ZINC000096057934 442006756 /nfs/dbraw/zinc/00/67/56/442006756.db2.gz JRQZWEWCIWNVSZ-IPMKNSEASA-N 2 2 331.460 1.926 40 0 EDABLP CNc1ncccc1C[N@@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257287994 443132572 /nfs/dbraw/zinc/13/25/72/443132572.db2.gz PSICQRGWQVOOTG-INIZCTEOSA-N 2 2 327.432 1.934 40 0 EDABLP CNc1ncccc1C[N@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257287994 443132576 /nfs/dbraw/zinc/13/25/76/443132576.db2.gz PSICQRGWQVOOTG-INIZCTEOSA-N 2 2 327.432 1.934 40 0 EDABLP CC(C)C[N@@H+]1CCN2[C@H](C[NH+](Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253398475 201186863 /nfs/dbraw/zinc/18/68/63/201186863.db2.gz HFYVPOSVWVBQOC-PMACEKPBSA-N 2 2 331.504 1.895 40 0 biogenic,in-vitro EDABLP CC(C)C[N@H+]1CCN2[C@H](C[NH+](Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253398475 201186867 /nfs/dbraw/zinc/18/68/67/201186867.db2.gz HFYVPOSVWVBQOC-PMACEKPBSA-N 2 2 331.504 1.895 40 0 biogenic,in-vitro EDABLP CC(C)C[NH+]1CCN2[C@@H](C1)C[N@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253398475 201186871 /nfs/dbraw/zinc/18/68/71/201186871.db2.gz HFYVPOSVWVBQOC-PMACEKPBSA-N 2 2 331.504 1.895 40 0 biogenic,in-vitro EDABLP CC(C)C[NH+]1CCN2[C@@H](C1)C[N@@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253398475 201186875 /nfs/dbraw/zinc/18/68/75/201186875.db2.gz HFYVPOSVWVBQOC-PMACEKPBSA-N 2 2 331.504 1.895 40 0 biogenic,in-vitro EDABLP c1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)nc1 ZINC000107194821 204226453 /nfs/dbraw/zinc/22/64/53/204226453.db2.gz MFTYQFCHHHTKNR-RBUKOAKNSA-N 2 2 347.459 1.164 40 0 EDABLP c1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)nc1 ZINC000107194821 204226457 /nfs/dbraw/zinc/22/64/57/204226457.db2.gz MFTYQFCHHHTKNR-RBUKOAKNSA-N 2 2 347.459 1.164 40 0 EDABLP CN1[C@@H](C(=O)N2CC[NH+](C)CC2)C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306138450 444287120 /nfs/dbraw/zinc/28/71/20/444287120.db2.gz RXSNBASTOSGVNY-OIISXLGYSA-N 2 2 348.516 1.027 40 0 EDABLP CN1[C@@H](C(=O)N2CC[NH+](C)CC2)C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306138450 444287121 /nfs/dbraw/zinc/28/71/21/444287121.db2.gz RXSNBASTOSGVNY-OIISXLGYSA-N 2 2 348.516 1.027 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cn1 ZINC000306139061 444287313 /nfs/dbraw/zinc/28/73/13/444287313.db2.gz SOHKUPKMVOUKHZ-HOCLYGCPSA-N 2 2 334.427 1.983 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccccn4)C[C@@H]2C3)cn1 ZINC000306139061 444287315 /nfs/dbraw/zinc/28/73/15/444287315.db2.gz SOHKUPKMVOUKHZ-HOCLYGCPSA-N 2 2 334.427 1.983 40 0 EDABLP C[NH+](C)CCNc1nc(NCCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000328994423 444437544 /nfs/dbraw/zinc/43/75/44/444437544.db2.gz JDLYFKQACIELST-UHFFFAOYSA-N 2 2 326.448 1.221 40 0 EDABLP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752805 452501948 /nfs/dbraw/zinc/50/19/48/452501948.db2.gz ROIASVMPAURRSE-LBPRGKRZSA-N 2 2 332.370 1.782 40 0 EDABLP c1[nH+]c([C@H]2C[N@H+](CC3CC3)CCO2)c2cccc(N3CCOCC3)n12 ZINC000096155883 442046466 /nfs/dbraw/zinc/04/64/66/442046466.db2.gz DISYVRAGDZBHJB-QGZVFWFLSA-N 2 2 342.443 1.954 40 0 EDABLP c1[nH+]c([C@H]2C[N@@H+](CC3CC3)CCO2)c2cccc(N3CCOCC3)n12 ZINC000096155883 442046470 /nfs/dbraw/zinc/04/64/70/442046470.db2.gz DISYVRAGDZBHJB-QGZVFWFLSA-N 2 2 342.443 1.954 40 0 EDABLP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cccc(F)c2)N1CC[NH+]1CCOCC1 ZINC000096183967 442057239 /nfs/dbraw/zinc/05/72/39/442057239.db2.gz DYBKSJNAOMYFQO-ZWKOTPCHSA-N 2 2 347.434 1.333 40 0 EDABLP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(F)c2)N1CC[NH+]1CCOCC1 ZINC000096183967 442057243 /nfs/dbraw/zinc/05/72/43/442057243.db2.gz DYBKSJNAOMYFQO-ZWKOTPCHSA-N 2 2 347.434 1.333 40 0 EDABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096197050 442070080 /nfs/dbraw/zinc/07/00/80/442070080.db2.gz BOYLRYSAVFOVFN-OAHLLOKOSA-N 2 2 332.448 1.194 40 0 EDABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096197050 442070084 /nfs/dbraw/zinc/07/00/84/442070084.db2.gz BOYLRYSAVFOVFN-OAHLLOKOSA-N 2 2 332.448 1.194 40 0 EDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cccs2)C1 ZINC000096188236 282141548 /nfs/dbraw/zinc/14/15/48/282141548.db2.gz ACRQMUVRBRYLOZ-LBPRGKRZSA-N 2 2 340.474 1.327 40 0 EDABLP CCc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000257278771 443126520 /nfs/dbraw/zinc/12/65/20/443126520.db2.gz ODPWMSKOFJQVNT-OAHLLOKOSA-N 2 2 328.416 1.627 40 0 EDABLP CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC000257212475 244154638 /nfs/dbraw/zinc/15/46/38/244154638.db2.gz CDOUSSXBAKNGNA-RWQQGDIJSA-N 2 2 348.491 1.746 40 0 EDABLP CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC000257212475 244154643 /nfs/dbraw/zinc/15/46/43/244154643.db2.gz CDOUSSXBAKNGNA-RWQQGDIJSA-N 2 2 348.491 1.746 40 0 EDABLP c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)ccn1 ZINC000096057936 442006727 /nfs/dbraw/zinc/00/67/27/442006727.db2.gz QLARUQPLGDAGMO-IPMKNSEASA-N 2 2 331.460 1.926 40 0 EDABLP c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)ccn1 ZINC000096057936 442006730 /nfs/dbraw/zinc/00/67/30/442006730.db2.gz QLARUQPLGDAGMO-IPMKNSEASA-N 2 2 331.460 1.926 40 0 EDABLP Cc1cc(OC[C@@H]2CO[C@@H]3C[N@H+](Cc4ncc[nH]4)C[C@H]23)cc(C)[nH+]1 ZINC000096219550 442090271 /nfs/dbraw/zinc/09/02/71/442090271.db2.gz XCCNTSHBGZCCPA-DJIMGWMZSA-N 2 2 328.416 1.947 40 0 EDABLP Cc1cc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ncc[nH]4)C[C@H]23)cc(C)[nH+]1 ZINC000096219550 442090280 /nfs/dbraw/zinc/09/02/80/442090280.db2.gz XCCNTSHBGZCCPA-DJIMGWMZSA-N 2 2 328.416 1.947 40 0 EDABLP Cc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)C[C@@H]32)cc1 ZINC000096183658 442058428 /nfs/dbraw/zinc/05/84/28/442058428.db2.gz YLCHDZUADFEPCZ-GBESFXJTSA-N 2 2 343.471 1.501 40 0 EDABLP Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)C[C@@H]32)cc1 ZINC000096183658 442058434 /nfs/dbraw/zinc/05/84/34/442058434.db2.gz YLCHDZUADFEPCZ-GBESFXJTSA-N 2 2 343.471 1.501 40 0 EDABLP c1c(NCC[NH+]2CCOCC2)nc(NC2CCCCC2)[nH+]c1C1CC1 ZINC000328963488 444425639 /nfs/dbraw/zinc/42/56/39/444425639.db2.gz BOZMJLOAZBLHPD-UHFFFAOYSA-N 2 2 345.491 1.687 40 0 EDABLP C[NH+](C)CC(C[NH+](C)C)c1cccc(C(C[NH+](C)C)C[NH+](C)C)n1 ZINC000001717683 440851240 /nfs/dbraw/zinc/85/12/40/440851240.db2.gz HMWRFFNLFAVEOL-UHFFFAOYSA-N 4 2 335.540 1.495 40 0 EDABLP Cc1[nH]c(C[NH+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)c[nH+]1 ZINC000108525225 441459540 /nfs/dbraw/zinc/45/95/40/441459540.db2.gz HSYKQMJJFALXMY-UHFFFAOYSA-N 2 2 338.477 1.545 40 0 EDABLP CC(C)CCOC[C@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCC(C)C ZINC000023477110 212377975 /nfs/dbraw/zinc/37/79/75/212377975.db2.gz OXAYASBURPDVLO-HDICACEKSA-N 2 2 348.528 1.013 40 0 EDABLP C[NH+]1CCN(C(=O)c2cc([C@@H]3C[NH2+]CCO3)nc3ccccc32)CC1 ZINC000257325528 244531428 /nfs/dbraw/zinc/53/14/28/244531428.db2.gz WTIOMBRJEBXXQM-SFHVURJKSA-N 2 2 340.427 1.283 40 0 EDABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096055602 442003795 /nfs/dbraw/zinc/00/37/95/442003795.db2.gz KNNGZMTYHYEEHO-KFWWJZLASA-N 2 2 346.456 1.530 40 0 EDABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096055602 442003799 /nfs/dbraw/zinc/00/37/99/442003799.db2.gz KNNGZMTYHYEEHO-KFWWJZLASA-N 2 2 346.456 1.530 40 0 EDABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(OC)cc1)C2 ZINC000096062310 442009363 /nfs/dbraw/zinc/00/93/63/442009363.db2.gz YSLDMFZEJGEHKV-LJQANCHMSA-N 2 2 334.460 1.866 40 0 EDABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(OC)cc1)C2 ZINC000096062310 442009366 /nfs/dbraw/zinc/00/93/66/442009366.db2.gz YSLDMFZEJGEHKV-LJQANCHMSA-N 2 2 334.460 1.866 40 0 EDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096062310 442009368 /nfs/dbraw/zinc/00/93/68/442009368.db2.gz YSLDMFZEJGEHKV-LJQANCHMSA-N 2 2 334.460 1.866 40 0 EDABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096062310 442009371 /nfs/dbraw/zinc/00/93/71/442009371.db2.gz YSLDMFZEJGEHKV-LJQANCHMSA-N 2 2 334.460 1.866 40 0 EDABLP O=C(CCCn1cc[nH+]c1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257332233 443151316 /nfs/dbraw/zinc/15/13/16/443151316.db2.gz XWIGUZZASMGVTH-SFHVURJKSA-N 2 2 343.431 1.206 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585279338 448728370 /nfs/dbraw/zinc/72/83/70/448728370.db2.gz YDZJOHXWFNDSNU-FQEVSTJZSA-N 2 2 348.487 1.921 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585279338 448728376 /nfs/dbraw/zinc/72/83/76/448728376.db2.gz YDZJOHXWFNDSNU-FQEVSTJZSA-N 2 2 348.487 1.921 40 0 EDABLP C[NH+](C)[C@@H]1CCN(C(=O)c2nc([C@@H]3CCC[N@@H+]3C)n3ccccc23)C1 ZINC000306131420 517912083 /nfs/dbraw/zinc/91/20/83/517912083.db2.gz KDWOQIDFHNRTGG-ZBFHGGJFSA-N 2 2 341.459 1.877 40 0 EDABLP C[NH+](C)[C@@H]1CCN(C(=O)c2nc([C@@H]3CCC[N@H+]3C)n3ccccc23)C1 ZINC000306131420 517912095 /nfs/dbraw/zinc/91/20/95/517912095.db2.gz KDWOQIDFHNRTGG-ZBFHGGJFSA-N 2 2 341.459 1.877 40 0 EDABLP Cc1[nH+]ccn1CCN(C)c1cc([C@H]2C[N@H+](C)CCO2)nc(C)n1 ZINC000072387092 216185182 /nfs/dbraw/zinc/18/51/82/216185182.db2.gz OGIMUSKPYRMJLE-MRXNPFEDSA-N 2 2 330.436 1.429 40 0 EDABLP Cc1[nH+]ccn1CCN(C)c1cc([C@H]2C[N@@H+](C)CCO2)nc(C)n1 ZINC000072387092 216185184 /nfs/dbraw/zinc/18/51/84/216185184.db2.gz OGIMUSKPYRMJLE-MRXNPFEDSA-N 2 2 330.436 1.429 40 0 EDABLP CNc1cc(C)[nH+]c(CC2CC[NH+](CC3(O)CCOCC3)CC2)n1 ZINC000257211560 244153542 /nfs/dbraw/zinc/15/35/42/244153542.db2.gz BZINHVHQOKDQRU-UHFFFAOYSA-N 2 2 334.464 1.623 40 0 EDABLP O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000012146515 211306518 /nfs/dbraw/zinc/30/65/18/211306518.db2.gz USKDPIUEMFWRHK-QZTJIDSGSA-N 2 2 332.423 1.637 40 0 EDABLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CC[NH+]2CCOCC2)oc1C ZINC000107198543 441403828 /nfs/dbraw/zinc/40/38/28/441403828.db2.gz ZJXUJGJFLZZNHE-ZWKOTPCHSA-N 2 2 347.459 1.404 40 0 EDABLP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3CC[NH+]2CCOCC2)oc1C ZINC000107198543 441403833 /nfs/dbraw/zinc/40/38/33/441403833.db2.gz ZJXUJGJFLZZNHE-ZWKOTPCHSA-N 2 2 347.459 1.404 40 0 EDABLP c1csc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)n1 ZINC000096052061 442000112 /nfs/dbraw/zinc/00/01/12/442000112.db2.gz CVGKIGPOMYYMGB-HOCLYGCPSA-N 2 2 334.445 1.647 40 0 EDABLP c1csc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)n1 ZINC000096052061 442000113 /nfs/dbraw/zinc/00/01/13/442000113.db2.gz CVGKIGPOMYYMGB-HOCLYGCPSA-N 2 2 334.445 1.647 40 0 EDABLP CN1[C@@H](C(=O)N2CC[NH+](C)CC2)C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096182572 442055757 /nfs/dbraw/zinc/05/57/57/442055757.db2.gz IVUQRARAZFMTCB-ZACQAIPSSA-N 2 2 348.516 1.027 40 0 EDABLP CN1[C@@H](C(=O)N2CC[NH+](C)CC2)C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096182572 442055758 /nfs/dbraw/zinc/05/57/58/442055758.db2.gz IVUQRARAZFMTCB-ZACQAIPSSA-N 2 2 348.516 1.027 40 0 EDABLP CN(C)CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249587 442102492 /nfs/dbraw/zinc/10/24/92/442102492.db2.gz BTJPZBDRDRVFBE-IEBWSBKVSA-N 2 2 335.467 1.910 40 0 EDABLP CN(C)CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249587 442102498 /nfs/dbraw/zinc/10/24/98/442102498.db2.gz BTJPZBDRDRVFBE-IEBWSBKVSA-N 2 2 335.467 1.910 40 0 EDABLP CN(C)CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249587 442102502 /nfs/dbraw/zinc/10/25/02/442102502.db2.gz BTJPZBDRDRVFBE-IEBWSBKVSA-N 2 2 335.467 1.910 40 0 EDABLP CN(C)CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249587 442102506 /nfs/dbraw/zinc/10/25/06/442102506.db2.gz BTJPZBDRDRVFBE-IEBWSBKVSA-N 2 2 335.467 1.910 40 0 EDABLP CC(C)C[C@H](NC(=O)[C@@H]([NH2+]CC[NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000022028907 212272703 /nfs/dbraw/zinc/27/27/03/212272703.db2.gz UABCFHFXPFDWCS-IRXDYDNUSA-N 2 2 348.491 1.729 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222801 244191417 /nfs/dbraw/zinc/19/14/17/244191417.db2.gz DUSOQJOJDIFIEA-SFHVURJKSA-N 2 2 331.464 1.734 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222801 244191421 /nfs/dbraw/zinc/19/14/21/244191421.db2.gz DUSOQJOJDIFIEA-SFHVURJKSA-N 2 2 331.464 1.734 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096052085 442000765 /nfs/dbraw/zinc/00/07/65/442000765.db2.gz BLYASCITYFFUQL-ZWKOTPCHSA-N 2 2 335.448 1.417 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096052085 442000770 /nfs/dbraw/zinc/00/07/70/442000770.db2.gz BLYASCITYFFUQL-ZWKOTPCHSA-N 2 2 335.448 1.417 40 0 EDABLP COc1ccc(CC(=O)N2Cc3[nH+]ccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC000096188228 442065420 /nfs/dbraw/zinc/06/54/20/442065420.db2.gz JYGTZAYTAXPFNR-MRXNPFEDSA-N 2 2 342.443 1.654 40 0 EDABLP C[NH+](C)CCN1CCOC[C@@]2(C[N@H+](Cc3ccsc3)CCO2)C1 ZINC000096229385 442096391 /nfs/dbraw/zinc/09/63/91/442096391.db2.gz GAOWKCAYUZYYON-KRWDZBQOSA-N 2 2 339.505 1.213 40 0 EDABLP C[NH+](C)CCN1CCOC[C@@]2(C[N@@H+](Cc3ccsc3)CCO2)C1 ZINC000096229385 442096393 /nfs/dbraw/zinc/09/63/93/442096393.db2.gz GAOWKCAYUZYYON-KRWDZBQOSA-N 2 2 339.505 1.213 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cn1 ZINC000306139062 257923844 /nfs/dbraw/zinc/92/38/44/257923844.db2.gz SOHKUPKMVOUKHZ-ZBFHGGJFSA-N 2 2 334.427 1.983 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccccn4)C[C@H]2C3)cn1 ZINC000306139062 257923845 /nfs/dbraw/zinc/92/38/45/257923845.db2.gz SOHKUPKMVOUKHZ-ZBFHGGJFSA-N 2 2 334.427 1.983 40 0 EDABLP CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000257299312 443136222 /nfs/dbraw/zinc/13/62/22/443136222.db2.gz RPNDXQVSYWIGHN-GOSISDBHSA-N 2 2 343.431 1.158 40 0 EDABLP CN(C)c1cc(N2C[C@H]3OC[C@@H](C[NH+]4CCCCC4)[C@H]3C2)nc[nH+]1 ZINC000306123363 444284882 /nfs/dbraw/zinc/28/48/82/444284882.db2.gz AKYUGMHIYZQJEV-BZUAXINKSA-N 2 2 331.464 1.480 40 0 EDABLP CN(C)c1cc(N2C[C@H]3OC[C@@H](C[NH+]4CCCCC4)[C@H]3C2)[nH+]cn1 ZINC000306123363 444284884 /nfs/dbraw/zinc/28/48/84/444284884.db2.gz AKYUGMHIYZQJEV-BZUAXINKSA-N 2 2 331.464 1.480 40 0 EDABLP Cc1c[nH]c([C@H]2COCCN2C(=O)CC[N@@H+](C)Cc2ccccn2)[nH+]1 ZINC000257200353 244116768 /nfs/dbraw/zinc/11/67/68/244116768.db2.gz ACYFDEAVOAKEKK-MRXNPFEDSA-N 2 2 343.431 1.535 40 0 EDABLP Cc1c[nH]c([C@H]2COCCN2C(=O)CC[N@H+](C)Cc2ccccn2)[nH+]1 ZINC000257200353 244116774 /nfs/dbraw/zinc/11/67/74/244116774.db2.gz ACYFDEAVOAKEKK-MRXNPFEDSA-N 2 2 343.431 1.535 40 0 EDABLP C[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000067897184 277029165 /nfs/dbraw/zinc/02/91/65/277029165.db2.gz MVZUMVGDXIJTLZ-MSOLQXFVSA-N 2 2 347.434 1.332 40 0 biogenic,in-vitro EDABLP C[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)CC1 ZINC000067897184 277029166 /nfs/dbraw/zinc/02/91/66/277029166.db2.gz MVZUMVGDXIJTLZ-MSOLQXFVSA-N 2 2 347.434 1.332 40 0 biogenic,in-vitro EDABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cc(C)on2)C1 ZINC000096188288 218656476 /nfs/dbraw/zinc/65/64/76/218656476.db2.gz DECJTLSFXFEOIG-CQSZACIVSA-N 2 2 331.420 1.794 40 0 EDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107738986 441428928 /nfs/dbraw/zinc/42/89/28/441428928.db2.gz RYNNEYGXEHNJQA-WMZOPIPTSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107738986 441428932 /nfs/dbraw/zinc/42/89/32/441428932.db2.gz RYNNEYGXEHNJQA-WMZOPIPTSA-N 2 2 328.416 1.586 40 0 EDABLP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108526789 441459612 /nfs/dbraw/zinc/45/96/12/441459612.db2.gz WYPBAFFDKNSARH-HNNXBMFYSA-N 2 2 342.447 1.836 40 0 EDABLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216449 442087573 /nfs/dbraw/zinc/08/75/73/442087573.db2.gz UAXVBWNVCNIDTL-FQEVSTJZSA-N 2 2 345.487 1.942 40 0 EDABLP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216449 442087576 /nfs/dbraw/zinc/08/75/76/442087576.db2.gz UAXVBWNVCNIDTL-FQEVSTJZSA-N 2 2 345.487 1.942 40 0 EDABLP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216449 442087581 /nfs/dbraw/zinc/08/75/81/442087581.db2.gz UAXVBWNVCNIDTL-FQEVSTJZSA-N 2 2 345.487 1.942 40 0 EDABLP CN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216449 442087582 /nfs/dbraw/zinc/08/75/82/442087582.db2.gz UAXVBWNVCNIDTL-FQEVSTJZSA-N 2 2 345.487 1.942 40 0 EDABLP c1coc(C[N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)c1 ZINC000096258992 442107469 /nfs/dbraw/zinc/10/74/69/442107469.db2.gz MWMCJGZNTZSXMP-UHFFFAOYSA-N 2 2 345.447 1.889 40 0 EDABLP c1coc(C[N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)c1 ZINC000096258992 442107476 /nfs/dbraw/zinc/10/74/76/442107476.db2.gz MWMCJGZNTZSXMP-UHFFFAOYSA-N 2 2 345.447 1.889 40 0 EDABLP CN(C)C(=O)C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000072327108 216152863 /nfs/dbraw/zinc/15/28/63/216152863.db2.gz NJWVUOUEYQYFIA-UHFFFAOYSA-N 2 2 327.432 1.055 40 0 EDABLP Cc1cc(C(=O)N2CCN(CC[NH+](C)C)c3[nH+]c(C)ccc3C2)no1 ZINC000096199016 442072939 /nfs/dbraw/zinc/07/29/39/442072939.db2.gz UWJPQDMRFBKAAT-UHFFFAOYSA-N 2 2 343.431 1.710 40 0 EDABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000257204209 244128349 /nfs/dbraw/zinc/12/83/49/244128349.db2.gz ATNMXHGRPIJLPQ-IBGZPJMESA-N 2 2 342.443 1.244 40 0 EDABLP CN(C)c1cc(CC[C@@H]2C[N@H+](Cc3cnccn3)CCO2)cc[nH+]1 ZINC000257248740 244264066 /nfs/dbraw/zinc/26/40/66/244264066.db2.gz JEZCXQQSKMSCNE-QGZVFWFLSA-N 2 2 327.432 1.771 40 0 EDABLP CN(C)c1cc(CC[C@@H]2C[N@@H+](Cc3cnccn3)CCO2)cc[nH+]1 ZINC000257248740 244264070 /nfs/dbraw/zinc/26/40/70/244264070.db2.gz JEZCXQQSKMSCNE-QGZVFWFLSA-N 2 2 327.432 1.771 40 0 EDABLP C[N@@H+]1C[C@@H](C(=O)N2CC[NH+](C)CC2)[C@]2(C1)CCc1ccccc1C2=O ZINC000019589769 290262290 /nfs/dbraw/zinc/26/22/90/290262290.db2.gz VHVDUIRHMCBMNM-FXAWDEMLSA-N 2 2 341.455 1.138 40 0 EDABLP C[N@H+]1C[C@@H](C(=O)N2CC[NH+](C)CC2)[C@]2(C1)CCc1ccccc1C2=O ZINC000019589769 290262293 /nfs/dbraw/zinc/26/22/93/290262293.db2.gz VHVDUIRHMCBMNM-FXAWDEMLSA-N 2 2 341.455 1.138 40 0 EDABLP c1cc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC000096052367 442001633 /nfs/dbraw/zinc/00/16/33/442001633.db2.gz ZIUIARWBNQZANO-MOPGFXCFSA-N 2 2 347.459 1.164 40 0 EDABLP c1cc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC000096052367 442001640 /nfs/dbraw/zinc/00/16/40/442001640.db2.gz ZIUIARWBNQZANO-MOPGFXCFSA-N 2 2 347.459 1.164 40 0 EDABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](Cc1cccnc1)C2 ZINC000096060871 442007912 /nfs/dbraw/zinc/00/79/12/442007912.db2.gz RKSMHXHVQMJDIS-INIZCTEOSA-N 2 2 344.463 1.371 40 0 EDABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](Cc1cccnc1)C2 ZINC000096060871 442007917 /nfs/dbraw/zinc/00/79/17/442007917.db2.gz RKSMHXHVQMJDIS-INIZCTEOSA-N 2 2 344.463 1.371 40 0 EDABLP CNc1cc(CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)cc[nH+]1 ZINC000257334716 443151735 /nfs/dbraw/zinc/15/17/35/443151735.db2.gz YHBVBHPALBUOIJ-MRXNPFEDSA-N 2 2 343.431 1.570 40 0 EDABLP COc1ncccc1C[N@@H+]1C[C@H](N2CC[NH+](C)CC2)[C@@H]2OCCC[C@@H]21 ZINC000096185820 442061921 /nfs/dbraw/zinc/06/19/21/442061921.db2.gz WYFFVRZFLATUHI-OKZBNKHCSA-N 2 2 346.475 1.069 40 0 EDABLP COc1ncccc1C[N@H+]1C[C@H](N2CC[NH+](C)CC2)[C@@H]2OCCC[C@@H]21 ZINC000096185820 442061924 /nfs/dbraw/zinc/06/19/24/442061924.db2.gz WYFFVRZFLATUHI-OKZBNKHCSA-N 2 2 346.475 1.069 40 0 EDABLP C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2C[NH+](CC3CC3)CCN21 ZINC000253403851 279164069 /nfs/dbraw/zinc/16/40/69/279164069.db2.gz QNVLDTBUZFNPRD-PMACEKPBSA-N 2 2 329.488 1.649 40 0 biogenic,in-vitro EDABLP C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2C[NH+](CC3CC3)CCN21 ZINC000253403851 279164070 /nfs/dbraw/zinc/16/40/70/279164070.db2.gz QNVLDTBUZFNPRD-PMACEKPBSA-N 2 2 329.488 1.649 40 0 biogenic,in-vitro EDABLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@H+](CC3CC3)CCN21 ZINC000253403851 279164074 /nfs/dbraw/zinc/16/40/74/279164074.db2.gz QNVLDTBUZFNPRD-PMACEKPBSA-N 2 2 329.488 1.649 40 0 biogenic,in-vitro EDABLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@@H+](CC3CC3)CCN21 ZINC000253403851 279164075 /nfs/dbraw/zinc/16/40/75/279164075.db2.gz QNVLDTBUZFNPRD-PMACEKPBSA-N 2 2 329.488 1.649 40 0 biogenic,in-vitro EDABLP Cc1nn(CCC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c(C)c1C ZINC000036740678 441609740 /nfs/dbraw/zinc/60/97/40/441609740.db2.gz FGYLGARGVXTDAY-UHFFFAOYSA-N 2 2 335.496 1.341 40 0 EDABLP C[N@@H+](Cc1cn2c(n1)C[NH+](C[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197475 442072264 /nfs/dbraw/zinc/07/22/64/442072264.db2.gz RSMDXPSXKDHCJZ-HNNXBMFYSA-N 2 2 330.432 1.960 40 0 EDABLP C[N@H+](Cc1cn2c(n1)C[NH+](C[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197475 442072268 /nfs/dbraw/zinc/07/22/68/442072268.db2.gz RSMDXPSXKDHCJZ-HNNXBMFYSA-N 2 2 330.432 1.960 40 0 EDABLP C[NH+](Cc1cn2c(n1)C[N@@H+](C[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197475 442072269 /nfs/dbraw/zinc/07/22/69/442072269.db2.gz RSMDXPSXKDHCJZ-HNNXBMFYSA-N 2 2 330.432 1.960 40 0 EDABLP C[NH+](Cc1cn2c(n1)C[N@H+](C[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197475 442072273 /nfs/dbraw/zinc/07/22/73/442072273.db2.gz RSMDXPSXKDHCJZ-HNNXBMFYSA-N 2 2 330.432 1.960 40 0 EDABLP CN(C)c1cc(N2C[C@H]3OC[C@H](C[NH+]4CCCCC4)[C@H]3C2)nc[nH+]1 ZINC000306123362 444284618 /nfs/dbraw/zinc/28/46/18/444284618.db2.gz AKYUGMHIYZQJEV-ARFHVFGLSA-N 2 2 331.464 1.480 40 0 EDABLP CN(C)c1cc(N2C[C@H]3OC[C@H](C[NH+]4CCCCC4)[C@H]3C2)[nH+]cn1 ZINC000306123362 444284620 /nfs/dbraw/zinc/28/46/20/444284620.db2.gz AKYUGMHIYZQJEV-ARFHVFGLSA-N 2 2 331.464 1.480 40 0 EDABLP c1cncc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CC3)[nH+]2)c1 ZINC000329007244 444443008 /nfs/dbraw/zinc/44/30/08/444443008.db2.gz LJYZCXMCAFGMTA-UHFFFAOYSA-N 2 2 338.459 1.758 40 0 EDABLP c1csc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)n1 ZINC000253596222 244032506 /nfs/dbraw/zinc/03/25/06/244032506.db2.gz ORABJWNJSQSFJK-RDJZCZTQSA-N 2 2 337.489 1.989 40 0 EDABLP c1csc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)n1 ZINC000253596222 244032510 /nfs/dbraw/zinc/03/25/10/244032510.db2.gz ORABJWNJSQSFJK-RDJZCZTQSA-N 2 2 337.489 1.989 40 0 EDABLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000257222413 244187608 /nfs/dbraw/zinc/18/76/08/244187608.db2.gz DTESNGIUSCMRAD-KRWDZBQOSA-N 2 2 328.416 1.845 40 0 EDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096052083 442001107 /nfs/dbraw/zinc/00/11/07/442001107.db2.gz BLYASCITYFFUQL-ROUUACIJSA-N 2 2 335.448 1.417 40 0 EDABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096052083 442001112 /nfs/dbraw/zinc/00/11/12/442001112.db2.gz BLYASCITYFFUQL-ROUUACIJSA-N 2 2 335.448 1.417 40 0 EDABLP Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096070368 442018413 /nfs/dbraw/zinc/01/84/13/442018413.db2.gz BGQLQLLNLGOBEU-LJQANCHMSA-N 2 2 341.459 1.540 40 0 EDABLP Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096070368 442018416 /nfs/dbraw/zinc/01/84/16/442018416.db2.gz BGQLQLLNLGOBEU-LJQANCHMSA-N 2 2 341.459 1.540 40 0 EDABLP CC[N@@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)nc[nH+]3)O2)C1 ZINC000248101224 442881939 /nfs/dbraw/zinc/88/19/39/442881939.db2.gz HOKATBCSYZWENX-WMLDXEAASA-N 2 2 335.452 1.224 40 0 EDABLP CC[N@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)nc[nH+]3)O2)C1 ZINC000248101224 442881940 /nfs/dbraw/zinc/88/19/40/442881940.db2.gz HOKATBCSYZWENX-WMLDXEAASA-N 2 2 335.452 1.224 40 0 EDABLP CC[N@@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)[nH+]cn3)O2)C1 ZINC000248101224 442881942 /nfs/dbraw/zinc/88/19/42/442881942.db2.gz HOKATBCSYZWENX-WMLDXEAASA-N 2 2 335.452 1.224 40 0 EDABLP CC[N@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)[nH+]cn3)O2)C1 ZINC000248101224 442881944 /nfs/dbraw/zinc/88/19/44/442881944.db2.gz HOKATBCSYZWENX-WMLDXEAASA-N 2 2 335.452 1.224 40 0 EDABLP COc1ccc2c(c1)CCN(c1cc(C)[nH+]c(NCC[NH+](C)C)n1)C2 ZINC000329046046 444456868 /nfs/dbraw/zinc/45/68/68/444456868.db2.gz TZISRMCVWVXRIX-UHFFFAOYSA-N 2 2 341.459 2.330 40 0 EDABLP Cn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](Cc1ccsc1)C2 ZINC000096060659 442008542 /nfs/dbraw/zinc/00/85/42/442008542.db2.gz HFTIDMJCJDDHPU-AWEZNQCLSA-N 2 2 335.477 1.554 40 0 EDABLP Cn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](Cc1ccsc1)C2 ZINC000096060659 442008553 /nfs/dbraw/zinc/00/85/53/442008553.db2.gz HFTIDMJCJDDHPU-AWEZNQCLSA-N 2 2 335.477 1.554 40 0 EDABLP CN(C)C(=O)COC[C@H]1Cn2c[nH+]cc2C[N@H+](Cc2cccnc2)C1 ZINC000096218716 442089591 /nfs/dbraw/zinc/08/95/91/442089591.db2.gz QZEUZNVCZYIPII-MRXNPFEDSA-N 2 2 343.431 1.015 40 0 EDABLP CN(C)C(=O)COC[C@H]1Cn2c[nH+]cc2C[N@@H+](Cc2cccnc2)C1 ZINC000096218716 442089593 /nfs/dbraw/zinc/08/95/93/442089593.db2.gz QZEUZNVCZYIPII-MRXNPFEDSA-N 2 2 343.431 1.015 40 0 EDABLP C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2N)C1 ZINC000260574421 443160606 /nfs/dbraw/zinc/16/06/06/443160606.db2.gz YHKVRFMVWLJGQI-KLHDSHLOSA-N 2 2 334.512 1.948 40 0 EDABLP Cc1noc(C)c1CN1C[C@@]2(CCC[N@@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099316 448684203 /nfs/dbraw/zinc/68/42/03/448684203.db2.gz CPFCQBOGOMWVDN-SFHVURJKSA-N 2 2 343.431 1.650 40 0 EDABLP Cc1noc(C)c1CN1C[C@@]2(CCC[N@H+](Cc3c[nH+]cn3C)C2)C1=O ZINC000585099316 448684205 /nfs/dbraw/zinc/68/42/05/448684205.db2.gz CPFCQBOGOMWVDN-SFHVURJKSA-N 2 2 343.431 1.650 40 0 EDABLP Cn1c[nH+]c(CNC(=O)c2ccccc2-n2cc(C[NH+](C)C)cn2)c1 ZINC000257253078 536060690 /nfs/dbraw/zinc/06/06/90/536060690.db2.gz JXMICNNNTIJLFT-UHFFFAOYSA-N 2 2 338.415 1.597 40 0 EDABLP C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2C[NH+](C3CCC3)CCN21 ZINC000253398836 278124360 /nfs/dbraw/zinc/12/43/60/278124360.db2.gz HQCNIXNEDMGYJB-UXHICEINSA-N 2 2 329.488 1.792 40 0 biogenic,in-vitro EDABLP C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2C[NH+](C3CCC3)CCN21 ZINC000253398836 278124362 /nfs/dbraw/zinc/12/43/62/278124362.db2.gz HQCNIXNEDMGYJB-UXHICEINSA-N 2 2 329.488 1.792 40 0 biogenic,in-vitro EDABLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@@H+](C3CCC3)CCN21 ZINC000253398836 278124365 /nfs/dbraw/zinc/12/43/65/278124365.db2.gz HQCNIXNEDMGYJB-UXHICEINSA-N 2 2 329.488 1.792 40 0 biogenic,in-vitro EDABLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@H+](C3CCC3)CCN21 ZINC000253398836 278124367 /nfs/dbraw/zinc/12/43/67/278124367.db2.gz HQCNIXNEDMGYJB-UXHICEINSA-N 2 2 329.488 1.792 40 0 biogenic,in-vitro EDABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccn2C)C1 ZINC000096188316 279372950 /nfs/dbraw/zinc/37/29/50/279372950.db2.gz SINXPDJCGMZVTQ-OAHLLOKOSA-N 2 2 329.448 1.834 40 0 EDABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccn2C)C1 ZINC000096188316 279372952 /nfs/dbraw/zinc/37/29/52/279372952.db2.gz SINXPDJCGMZVTQ-OAHLLOKOSA-N 2 2 329.448 1.834 40 0 EDABLP O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000012529618 441134181 /nfs/dbraw/zinc/13/41/81/441134181.db2.gz WJKYOSUFZWUIKK-HSFUPAIVSA-N 2 2 336.407 1.254 40 0 biogenic,in-vitro EDABLP COc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000012529614 441134213 /nfs/dbraw/zinc/13/42/13/441134213.db2.gz AEPIQDNEKOXWMO-IEWDOMPSSA-N 2 2 348.443 1.124 40 0 biogenic,in-vitro EDABLP CCc1cccc2cc(C[NH2+]CCC[NH+]3CCOCC3)c(=O)[nH]c21 ZINC000013566699 441160844 /nfs/dbraw/zinc/16/08/44/441160844.db2.gz ZWNAAYOAMCSTOZ-UHFFFAOYSA-N 2 2 329.444 1.902 40 0 EDABLP COCCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(NC(C)=O)C2)c1 ZINC000019713616 441259580 /nfs/dbraw/zinc/25/95/80/441259580.db2.gz KTNDVTUNXVNJTL-IEBWSBKVSA-N 2 2 347.459 1.012 40 0 EDABLP COCCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@]3(NC(C)=O)C2)c1 ZINC000019713616 441259586 /nfs/dbraw/zinc/25/95/86/441259586.db2.gz KTNDVTUNXVNJTL-IEBWSBKVSA-N 2 2 347.459 1.012 40 0 EDABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000096037055 441983323 /nfs/dbraw/zinc/98/33/23/441983323.db2.gz OBGMKVLLPPHXCS-UHFFFAOYSA-N 2 2 328.464 1.752 40 0 EDABLP Cc1ccc(NCc2c[nH+]c3n2CCN(CC[NH+](C)C)CC3)nn1 ZINC000096067942 442015753 /nfs/dbraw/zinc/01/57/53/442015753.db2.gz UHNZZHFJYLUFIJ-UHFFFAOYSA-N 2 2 329.452 1.013 40 0 EDABLP O=C(C[N@@H+]1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1)N1CCCC1 ZINC000072378731 216180229 /nfs/dbraw/zinc/18/02/29/216180229.db2.gz VGRLAENCVRSCIU-OAHLLOKOSA-N 2 2 326.404 1.422 40 0 EDABLP O=C(C[N@H+]1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1)N1CCCC1 ZINC000072378731 216180232 /nfs/dbraw/zinc/18/02/32/216180232.db2.gz VGRLAENCVRSCIU-OAHLLOKOSA-N 2 2 326.404 1.422 40 0 EDABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccn2C)C1 ZINC000096188317 279384182 /nfs/dbraw/zinc/38/41/82/279384182.db2.gz SINXPDJCGMZVTQ-HNNXBMFYSA-N 2 2 329.448 1.834 40 0 EDABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccn2C)C1 ZINC000096188317 279384184 /nfs/dbraw/zinc/38/41/84/279384184.db2.gz SINXPDJCGMZVTQ-HNNXBMFYSA-N 2 2 329.448 1.834 40 0 EDABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccn2)C1 ZINC000096188286 442066037 /nfs/dbraw/zinc/06/60/37/442066037.db2.gz QLWIABBYEYOZPF-MRXNPFEDSA-N 2 2 341.459 1.821 40 0 EDABLP O=C(COC[C@@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247728127 442866182 /nfs/dbraw/zinc/86/61/82/442866182.db2.gz DXWLBDWFBCVQIE-KRWDZBQOSA-N 2 2 348.447 1.058 40 0 EDABLP O=C(COC[C@@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247728127 442866185 /nfs/dbraw/zinc/86/61/85/442866185.db2.gz DXWLBDWFBCVQIE-KRWDZBQOSA-N 2 2 348.447 1.058 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@H]2C3)cn1 ZINC000306139059 444287021 /nfs/dbraw/zinc/28/70/21/444287021.db2.gz SOHKUPKMVOUKHZ-GDBMZVCRSA-N 2 2 334.427 1.983 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccccn4)C[C@H]2C3)cn1 ZINC000306139059 444287024 /nfs/dbraw/zinc/28/70/24/444287024.db2.gz SOHKUPKMVOUKHZ-GDBMZVCRSA-N 2 2 334.427 1.983 40 0 EDABLP OC[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)[C@@H]1O ZINC000020465053 212134933 /nfs/dbraw/zinc/13/49/33/212134933.db2.gz KIVRCGBCMAEGIY-LTIDMASMSA-N 2 2 340.851 1.015 40 0 biogenic,in-vitro EDABLP CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2[nH+]ccn2C(C)C)c1 ZINC000257246185 244257620 /nfs/dbraw/zinc/25/76/20/244257620.db2.gz ISYBOUHHAXQQKY-KRWDZBQOSA-N 2 2 341.459 1.970 40 0 EDABLP C[N@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257238495 244234411 /nfs/dbraw/zinc/23/44/11/244234411.db2.gz HLFKUOHSIYOSLP-YRXWBPOGSA-N 2 2 345.418 1.603 40 0 EDABLP C[N@@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257238495 244234419 /nfs/dbraw/zinc/23/44/19/244234419.db2.gz HLFKUOHSIYOSLP-YRXWBPOGSA-N 2 2 345.418 1.603 40 0 EDABLP Cc1nc(N(C)C)cc(CC2CC[NH+](CC3(O)CCOCC3)CC2)[nH+]1 ZINC000257251897 244270754 /nfs/dbraw/zinc/27/07/54/244270754.db2.gz JSTOKKHPJXVAHA-UHFFFAOYSA-N 2 2 348.491 1.647 40 0 EDABLP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCCN2CC[NH2+]C2)cc1 ZINC000027795915 441414845 /nfs/dbraw/zinc/41/48/45/441414845.db2.gz MJAWGWDNLAROLD-UHFFFAOYSA-N 2 2 341.394 1.619 40 0 EDABLP Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCc4[nH+]ccn4C)C[C@H]32)o1 ZINC000096055604 442003144 /nfs/dbraw/zinc/00/31/44/442003144.db2.gz XIEDALRHUGEIIA-OAGGEKHMSA-N 2 2 344.415 1.370 40 0 EDABLP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCc4[nH+]ccn4C)C[C@H]32)o1 ZINC000096055604 442003148 /nfs/dbraw/zinc/00/31/48/442003148.db2.gz XIEDALRHUGEIIA-OAGGEKHMSA-N 2 2 344.415 1.370 40 0 EDABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](C)CC2)cs1 ZINC000225422910 443102119 /nfs/dbraw/zinc/10/21/19/443102119.db2.gz BAWAKEBOIICGFP-CYBMUJFWSA-N 2 2 325.478 1.667 40 0 biogenic,in-vitro EDABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](C)CC2)cs1 ZINC000225422910 443102124 /nfs/dbraw/zinc/10/21/24/443102124.db2.gz BAWAKEBOIICGFP-CYBMUJFWSA-N 2 2 325.478 1.667 40 0 biogenic,in-vitro EDABLP Cn1c[nH+]cc1C[NH+]1CCC2(CO[C@@H](Cc3cncnc3)C2)CC1 ZINC000257208011 244140815 /nfs/dbraw/zinc/14/08/15/244140815.db2.gz BKHLXZXVOWOCPB-KRWDZBQOSA-N 2 2 327.432 1.824 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107738983 441428808 /nfs/dbraw/zinc/42/88/08/441428808.db2.gz RYNNEYGXEHNJQA-FUHWJXTLSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000107738983 441428812 /nfs/dbraw/zinc/42/88/12/441428812.db2.gz RYNNEYGXEHNJQA-FUHWJXTLSA-N 2 2 328.416 1.586 40 0 EDABLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)cn1 ZINC000096046979 441995296 /nfs/dbraw/zinc/99/52/96/441995296.db2.gz KFQUFLWMLKSDMI-SFHVURJKSA-N 2 2 328.464 1.642 40 0 EDABLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)cn1 ZINC000096046979 441995305 /nfs/dbraw/zinc/99/53/05/441995305.db2.gz KFQUFLWMLKSDMI-SFHVURJKSA-N 2 2 328.464 1.642 40 0 EDABLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)cn1 ZINC000096046979 441995312 /nfs/dbraw/zinc/99/53/12/441995312.db2.gz KFQUFLWMLKSDMI-SFHVURJKSA-N 2 2 328.464 1.642 40 0 EDABLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)cn1 ZINC000096046979 441995315 /nfs/dbraw/zinc/99/53/15/441995315.db2.gz KFQUFLWMLKSDMI-SFHVURJKSA-N 2 2 328.464 1.642 40 0 EDABLP Cc1[nH+]c[nH]c1C[NH+]1CCC2(C[C@H](Nc3ncccn3)CO2)CC1 ZINC000096224786 442093236 /nfs/dbraw/zinc/09/32/36/442093236.db2.gz XTWZGPXNTUDTHM-AWEZNQCLSA-N 2 2 328.420 1.744 40 0 EDABLP C[NH+](C)C1(CNC(=O)C2(c3ccccc3F)CC2)CC[NH+](C)CC1 ZINC000012192652 211316372 /nfs/dbraw/zinc/31/63/72/211316372.db2.gz JHPRBFYSILTWOU-UHFFFAOYSA-N 2 2 333.451 2.000 40 0 EDABLP CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000012116391 211295762 /nfs/dbraw/zinc/29/57/62/211295762.db2.gz BJQFTMHDJVQKCY-UHFFFAOYSA-N 2 2 343.475 1.950 40 0 EDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@@H]2c1ccccc1 ZINC000009289430 211061114 /nfs/dbraw/zinc/06/11/14/211061114.db2.gz ORICMVGGUBACQP-INIZCTEOSA-N 2 2 338.415 1.128 40 0 EDABLP O=c1[nH]c2cc3c(cc2cc1C[NH2+]CCC[NH+]1CCOCC1)OCO3 ZINC000013998417 441168693 /nfs/dbraw/zinc/16/86/93/441168693.db2.gz FRNBUOKYEURFHP-UHFFFAOYSA-N 2 2 345.399 1.069 40 0 EDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096052077 442001802 /nfs/dbraw/zinc/00/18/02/442001802.db2.gz HDCCXLJQVUTURN-MSOLQXFVSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096052077 442001810 /nfs/dbraw/zinc/00/18/10/442001810.db2.gz HDCCXLJQVUTURN-MSOLQXFVSA-N 2 2 328.416 1.586 40 0 EDABLP CN(C)c1nc(N2CCO[C@H]3CN(c4cccc[nH+]4)C[C@H]32)cc[nH+]1 ZINC000096081827 442023459 /nfs/dbraw/zinc/02/34/59/442023459.db2.gz HWJXEVQDDLKWRT-KGLIPLIRSA-N 2 2 326.404 1.032 40 0 EDABLP Cn1cccc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](CC1CC1)CC2 ZINC000096197071 442070292 /nfs/dbraw/zinc/07/02/92/442070292.db2.gz VORNNMXRAPVGCY-UHFFFAOYSA-N 2 2 327.432 1.420 40 0 EDABLP Cn1cccc1C(=O)NCc1c[nH+]c2n1CC[N@H+](CC1CC1)CC2 ZINC000096197071 442070298 /nfs/dbraw/zinc/07/02/98/442070298.db2.gz VORNNMXRAPVGCY-UHFFFAOYSA-N 2 2 327.432 1.420 40 0 EDABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@H+](C1CCOCC1)CC2 ZINC000096197124 442070409 /nfs/dbraw/zinc/07/04/09/442070409.db2.gz OSVUZYAAJHZAEL-UHFFFAOYSA-N 2 2 327.432 1.927 40 0 EDABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@@H+](C1CCOCC1)CC2 ZINC000096197124 442070415 /nfs/dbraw/zinc/07/04/15/442070415.db2.gz OSVUZYAAJHZAEL-UHFFFAOYSA-N 2 2 327.432 1.927 40 0 EDABLP COCCNC(=O)[C@H]1C[N@H+](CCc2ccccc2)Cc2c[nH+]cn21 ZINC000247831620 442869452 /nfs/dbraw/zinc/86/94/52/442869452.db2.gz HNEJOTUSICGZQQ-QGZVFWFLSA-N 2 2 328.416 1.245 40 0 EDABLP COCCNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)Cc2c[nH+]cn21 ZINC000247831620 442869454 /nfs/dbraw/zinc/86/94/54/442869454.db2.gz HNEJOTUSICGZQQ-QGZVFWFLSA-N 2 2 328.416 1.245 40 0 EDABLP CN(C)c1cc(CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)cc[nH+]1 ZINC000257252110 244271052 /nfs/dbraw/zinc/27/10/52/244271052.db2.gz JTOZZJKBOUYUHY-INIZCTEOSA-N 2 2 343.431 1.204 40 0 EDABLP c1csc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096052015 442000285 /nfs/dbraw/zinc/00/02/85/442000285.db2.gz FXBZZXVUKMYBTK-WBVHZDCISA-N 2 2 337.489 1.846 40 0 EDABLP c1csc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096052015 442000292 /nfs/dbraw/zinc/00/02/92/442000292.db2.gz FXBZZXVUKMYBTK-WBVHZDCISA-N 2 2 337.489 1.846 40 0 EDABLP COc1ncccc1C[N@@H+]1CCOC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC000096201972 442078179 /nfs/dbraw/zinc/07/81/79/442078179.db2.gz AZXGTBBBODACFL-IBGZPJMESA-N 2 2 348.491 1.176 40 0 EDABLP COc1ncccc1C[N@H+]1CCOC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC000096201972 442078183 /nfs/dbraw/zinc/07/81/83/442078183.db2.gz AZXGTBBBODACFL-IBGZPJMESA-N 2 2 348.491 1.176 40 0 EDABLP Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](Cc2ccncc2)CC1 ZINC000257200606 443124242 /nfs/dbraw/zinc/12/42/42/443124242.db2.gz AEAIMMXWLVLXRR-KRWDZBQOSA-N 2 2 326.404 1.396 40 0 EDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+](C)Cc1ccccc1 ZINC000012601839 441137504 /nfs/dbraw/zinc/13/75/04/441137504.db2.gz HQRWBUUYVRVQNF-GBESFXJTSA-N 2 2 345.487 1.591 40 0 biogenic,in-vitro EDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+](C)Cc1ccccc1 ZINC000012601839 441137507 /nfs/dbraw/zinc/13/75/07/441137507.db2.gz HQRWBUUYVRVQNF-GBESFXJTSA-N 2 2 345.487 1.591 40 0 biogenic,in-vitro EDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+](C)Cc1ccccc1 ZINC000012601839 441137508 /nfs/dbraw/zinc/13/75/08/441137508.db2.gz HQRWBUUYVRVQNF-GBESFXJTSA-N 2 2 345.487 1.591 40 0 biogenic,in-vitro EDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+](C)Cc1ccccc1 ZINC000012601839 441137510 /nfs/dbraw/zinc/13/75/10/441137510.db2.gz HQRWBUUYVRVQNF-GBESFXJTSA-N 2 2 345.487 1.591 40 0 biogenic,in-vitro EDABLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CC[NH+]2CCOCC2)o1 ZINC000107198485 441403606 /nfs/dbraw/zinc/40/36/06/441403606.db2.gz XRRVPOJGGBDNCM-DLBZAZTESA-N 2 2 333.432 1.095 40 0 EDABLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3CC[NH+]2CCOCC2)o1 ZINC000107198485 441403610 /nfs/dbraw/zinc/40/36/10/441403610.db2.gz XRRVPOJGGBDNCM-DLBZAZTESA-N 2 2 333.432 1.095 40 0 EDABLP OCC[NH+]1CCN(C2=[NH+]c3cccnc3Nc3cscc32)CC1 ZINC000032072274 275047100 /nfs/dbraw/zinc/04/71/00/275047100.db2.gz WUBVRGKEYJXSGZ-UHFFFAOYSA-N 2 2 329.429 1.888 40 0 EDABLP O=C1C[C@H]2[C@@H](CC[N@@H+]2CCc2ccccc2)N1CC[NH+]1CCOCC1 ZINC000107198537 441403770 /nfs/dbraw/zinc/40/37/70/441403770.db2.gz OFRWNIVWSSCNIY-MOPGFXCFSA-N 2 2 343.471 1.237 40 0 EDABLP O=C1C[C@H]2[C@@H](CC[N@H+]2CCc2ccccc2)N1CC[NH+]1CCOCC1 ZINC000107198537 441403773 /nfs/dbraw/zinc/40/37/73/441403773.db2.gz OFRWNIVWSSCNIY-MOPGFXCFSA-N 2 2 343.471 1.237 40 0 EDABLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+](Cc2ccncc2)CC3)CC1 ZINC000096059427 442006537 /nfs/dbraw/zinc/00/65/37/442006537.db2.gz TWRFKKPYZZDNRX-UHFFFAOYSA-N 2 2 326.448 1.041 40 0 EDABLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+](Cc2ccncc2)CC3)CC1 ZINC000096059427 442006539 /nfs/dbraw/zinc/00/65/39/442006539.db2.gz TWRFKKPYZZDNRX-UHFFFAOYSA-N 2 2 326.448 1.041 40 0 EDABLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)CC1 ZINC000257320748 443145820 /nfs/dbraw/zinc/14/58/20/443145820.db2.gz VYKOMYQULZDVBS-BRWVUGGUSA-N 2 2 334.464 1.574 40 0 EDABLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332823890 141239893 /nfs/dbraw/zinc/23/98/93/141239893.db2.gz GORFUKMZFZTXGJ-GJZGRUSLSA-N 2 2 335.452 1.410 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585277023 448722737 /nfs/dbraw/zinc/72/27/37/448722737.db2.gz JHONOVFZWUVREA-FQEVSTJZSA-N 2 2 348.487 1.921 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585277023 448722743 /nfs/dbraw/zinc/72/27/43/448722743.db2.gz JHONOVFZWUVREA-FQEVSTJZSA-N 2 2 348.487 1.921 40 0 EDABLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@H]2CC1 ZINC000096249353 279391550 /nfs/dbraw/zinc/39/15/50/279391550.db2.gz HARWFUYIDBABLF-RBUKOAKNSA-N 3 2 347.507 1.181 40 0 EDABLP Cn1c[nH+]cc1C[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@H]2CC1 ZINC000096249353 279391552 /nfs/dbraw/zinc/39/15/52/279391552.db2.gz HARWFUYIDBABLF-RBUKOAKNSA-N 3 2 347.507 1.181 40 0 EDABLP c1cncc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096057935 442006555 /nfs/dbraw/zinc/00/65/55/442006555.db2.gz IXMCBBOMYPTNTP-IPMKNSEASA-N 2 2 331.460 1.926 40 0 EDABLP c1cncc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096057935 442006558 /nfs/dbraw/zinc/00/65/58/442006558.db2.gz IXMCBBOMYPTNTP-IPMKNSEASA-N 2 2 331.460 1.926 40 0 EDABLP Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4[nH+]ccn4C)CC[N@@H+]3C2)n1 ZINC000096183437 442055921 /nfs/dbraw/zinc/05/59/21/442055921.db2.gz NXZCPQWBRSVHOH-ZWKOTPCHSA-N 2 2 341.459 1.599 40 0 EDABLP Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4[nH+]ccn4C)CC[N@H+]3C2)n1 ZINC000096183437 442055925 /nfs/dbraw/zinc/05/59/25/442055925.db2.gz NXZCPQWBRSVHOH-ZWKOTPCHSA-N 2 2 341.459 1.599 40 0 EDABLP COc1ccc(CC(=O)N2Cc3[nH+]ccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC000096188232 442065752 /nfs/dbraw/zinc/06/57/52/442065752.db2.gz JYGTZAYTAXPFNR-INIZCTEOSA-N 2 2 342.443 1.654 40 0 EDABLP COc1ncccc1C[N@@H+]1CC[C@@H]2CN(CC[NH+](C)C)CCO[C@@H]2C1 ZINC000096249590 442103661 /nfs/dbraw/zinc/10/36/61/442103661.db2.gz GKOPUJJTRXWBQF-SJLPKXTDSA-N 2 2 348.491 1.175 40 0 EDABLP COc1ncccc1C[N@H+]1CC[C@@H]2CN(CC[NH+](C)C)CCO[C@@H]2C1 ZINC000096249590 442103662 /nfs/dbraw/zinc/10/36/62/442103662.db2.gz GKOPUJJTRXWBQF-SJLPKXTDSA-N 2 2 348.491 1.175 40 0 EDABLP COc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](CCN(C)C)CCO[C@@H]2C1 ZINC000096249590 442103663 /nfs/dbraw/zinc/10/36/63/442103663.db2.gz GKOPUJJTRXWBQF-SJLPKXTDSA-N 2 2 348.491 1.175 40 0 EDABLP COc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](CCN(C)C)CCO[C@@H]2C1 ZINC000096249590 442103664 /nfs/dbraw/zinc/10/36/64/442103664.db2.gz GKOPUJJTRXWBQF-SJLPKXTDSA-N 2 2 348.491 1.175 40 0 EDABLP COc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](CCN(C)C)CCO[C@@H]2C1 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ZINC000257240462 244242806 /nfs/dbraw/zinc/24/28/06/244242806.db2.gz HTOSCXNKDRSJIB-ZRNYENFQSA-N 2 2 341.455 1.854 40 0 EDABLP C[N@@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257240462 244242810 /nfs/dbraw/zinc/24/28/10/244242810.db2.gz HTOSCXNKDRSJIB-ZRNYENFQSA-N 2 2 341.455 1.854 40 0 EDABLP CN(C)c1cc(NCc2cnc3n2CC[N@@H+](CC2CC2)CC3)[nH+]cn1 ZINC000104839393 204123613 /nfs/dbraw/zinc/12/36/13/204123613.db2.gz QWIZXCYZCVSIGZ-UHFFFAOYSA-N 2 2 341.463 1.619 40 0 EDABLP CN(C)c1cc(NCc2cnc3n2CC[N@H+](CC2CC2)CC3)[nH+]cn1 ZINC000104839393 204123616 /nfs/dbraw/zinc/12/36/16/204123616.db2.gz QWIZXCYZCVSIGZ-UHFFFAOYSA-N 2 2 341.463 1.619 40 0 EDABLP Cc1ccc2cc(C[NH2+]CCC[NH+]3CCOCC3)c(=O)[nH]c2c1C ZINC000028641069 441435383 /nfs/dbraw/zinc/43/53/83/441435383.db2.gz OUXIYNIACYHAQE-UHFFFAOYSA-N 2 2 329.444 1.957 40 0 EDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096052073 442001056 /nfs/dbraw/zinc/00/10/56/442001056.db2.gz RYNNEYGXEHNJQA-AEFFLSMTSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096052073 442001057 /nfs/dbraw/zinc/00/10/57/442001057.db2.gz RYNNEYGXEHNJQA-AEFFLSMTSA-N 2 2 328.416 1.586 40 0 EDABLP Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cn1 ZINC000096057923 442006505 /nfs/dbraw/zinc/00/65/05/442006505.db2.gz LZNNCFANPYMJPK-RCCFBDPRSA-N 2 2 334.464 1.264 40 0 EDABLP Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cn1 ZINC000096057923 442006508 /nfs/dbraw/zinc/00/65/08/442006508.db2.gz LZNNCFANPYMJPK-RCCFBDPRSA-N 2 2 334.464 1.264 40 0 EDABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](Cc2cccc(O)c2)CC1 ZINC000257211059 244151139 /nfs/dbraw/zinc/15/11/39/244151139.db2.gz BXIXYDPKHHAVCR-GOSISDBHSA-N 2 2 341.415 1.706 40 0 EDABLP Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC000257211059 244151144 /nfs/dbraw/zinc/15/11/44/244151144.db2.gz BXIXYDPKHHAVCR-GOSISDBHSA-N 2 2 341.415 1.706 40 0 EDABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 ZINC000072379016 203210023 /nfs/dbraw/zinc/21/00/23/203210023.db2.gz QLPBUXOXMZOEML-OAHLLOKOSA-N 2 2 327.432 1.843 40 0 EDABLP COc1ccc([C@@H]2C[N@@H+](C3CC[NH+](C)CC3)CCN2C(C)=O)cc1 ZINC000257203427 286363546 /nfs/dbraw/zinc/36/35/46/286363546.db2.gz APZZUTVGGPJTEL-IBGZPJMESA-N 2 2 331.460 1.995 40 0 EDABLP COc1ccc([C@@H]2C[N@H+](C3CC[NH+](C)CC3)CCN2C(C)=O)cc1 ZINC000257203427 286363547 /nfs/dbraw/zinc/36/35/47/286363547.db2.gz APZZUTVGGPJTEL-IBGZPJMESA-N 2 2 331.460 1.995 40 0 EDABLP Cc1cccc(S(=O)(=O)N2Cc3[nH+]ccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC000096188247 442065992 /nfs/dbraw/zinc/06/59/92/442065992.db2.gz FQNSKITUNGASSB-OAHLLOKOSA-N 2 2 348.472 1.574 40 0 EDABLP CC(C)[N@@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)nc[nH+]3)O2)C1 ZINC000248070925 442880838 /nfs/dbraw/zinc/88/08/38/442880838.db2.gz AWPUDCWVABNVPE-MAUKXSAKSA-N 2 2 349.479 1.613 40 0 EDABLP CC(C)[N@@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)[nH+]cn3)O2)C1 ZINC000248070925 442880846 /nfs/dbraw/zinc/88/08/46/442880846.db2.gz AWPUDCWVABNVPE-MAUKXSAKSA-N 2 2 349.479 1.613 40 0 EDABLP CC(C)[N@H+]1CCOC[C@@]2(CC[C@@H](CNc3cc(N(C)C)[nH+]cn3)O2)C1 ZINC000248070925 442880849 /nfs/dbraw/zinc/88/08/49/442880849.db2.gz AWPUDCWVABNVPE-MAUKXSAKSA-N 2 2 349.479 1.613 40 0 EDABLP COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)C1CC[NH2+]CC1 ZINC000257212030 537105212 /nfs/dbraw/zinc/10/52/12/537105212.db2.gz CBPMUMXHPTYOGB-INIZCTEOSA-N 2 2 340.427 1.975 40 0 EDABLP Cn1cc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cn1 ZINC000072327140 203200734 /nfs/dbraw/zinc/20/07/34/203200734.db2.gz UWALTBMGVXMBCM-UHFFFAOYSA-N 2 2 336.443 1.900 40 0 EDABLP Nc1ncc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cn1 ZINC000072327166 203200854 /nfs/dbraw/zinc/20/08/54/203200854.db2.gz NPWZVGDYSQWTIE-UHFFFAOYSA-N 2 2 349.442 1.539 40 0 EDABLP COc1cc(C[NH2+]CC[NH3+])ccc1OCC(=O)Nc1ccccc1 ZINC000036611773 441607759 /nfs/dbraw/zinc/60/77/59/441607759.db2.gz MCQLZJDTHKEJKZ-UHFFFAOYSA-N 2 2 329.400 1.761 40 0 EDABLP COc1ncccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC000096064386 442013026 /nfs/dbraw/zinc/01/30/26/442013026.db2.gz ONFQWJSAOARTRG-IKGGRYGDSA-N 2 2 342.447 1.277 40 0 EDABLP COc1ncccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC000096064386 442013031 /nfs/dbraw/zinc/01/30/31/442013031.db2.gz ONFQWJSAOARTRG-IKGGRYGDSA-N 2 2 342.447 1.277 40 0 EDABLP COc1ncccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC000096064386 442013035 /nfs/dbraw/zinc/01/30/35/442013035.db2.gz ONFQWJSAOARTRG-IKGGRYGDSA-N 2 2 342.447 1.277 40 0 EDABLP COc1ncccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC000096064386 442013040 /nfs/dbraw/zinc/01/30/40/442013040.db2.gz ONFQWJSAOARTRG-IKGGRYGDSA-N 2 2 342.447 1.277 40 0 EDABLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000019335960 202003688 /nfs/dbraw/zinc/00/36/88/202003688.db2.gz PAGJGBTZUBRXIE-UHFFFAOYSA-N 2 2 348.834 1.760 40 0 EDABLP O=C(C[N@@H+]1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1)N1CCCC1 ZINC000072378730 203210382 /nfs/dbraw/zinc/21/03/82/203210382.db2.gz VGRLAENCVRSCIU-HNNXBMFYSA-N 2 2 326.404 1.422 40 0 EDABLP O=C(C[N@H+]1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1)N1CCCC1 ZINC000072378730 203210386 /nfs/dbraw/zinc/21/03/86/203210386.db2.gz VGRLAENCVRSCIU-HNNXBMFYSA-N 2 2 326.404 1.422 40 0 EDABLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332823888 141239671 /nfs/dbraw/zinc/23/96/71/141239671.db2.gz GORFUKMZFZTXGJ-CABCVRRESA-N 2 2 335.452 1.410 40 0 EDABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000022075858 441276778 /nfs/dbraw/zinc/27/67/78/441276778.db2.gz VZYUJVSWUFXTOD-AWEZNQCLSA-N 2 2 337.464 1.040 40 0 EDABLP Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)o1 ZINC000096057505 442004779 /nfs/dbraw/zinc/00/47/79/442004779.db2.gz SPDNQUACEUVMSF-KZNAEPCWSA-N 2 2 347.459 1.484 40 0 EDABLP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)o1 ZINC000096057505 442004784 /nfs/dbraw/zinc/00/47/84/442004784.db2.gz SPDNQUACEUVMSF-KZNAEPCWSA-N 2 2 347.459 1.484 40 0 EDABLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+](CC1CCOCC1)C2 ZINC000096059608 442007748 /nfs/dbraw/zinc/00/77/48/442007748.db2.gz IOCIHMZPSHTXPI-UHFFFAOYSA-N 2 2 343.431 1.120 40 0 EDABLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+](CC1CCOCC1)C2 ZINC000096059608 442007750 /nfs/dbraw/zinc/00/77/50/442007750.db2.gz IOCIHMZPSHTXPI-UHFFFAOYSA-N 2 2 343.431 1.120 40 0 EDABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cscn2)C1 ZINC000096188315 442066007 /nfs/dbraw/zinc/06/60/07/442066007.db2.gz BVWMNALAGXDIIZ-ZDUSSCGKSA-N 2 2 333.461 1.952 40 0 EDABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cscn2)C1 ZINC000096188315 442066010 /nfs/dbraw/zinc/06/60/10/442066010.db2.gz BVWMNALAGXDIIZ-ZDUSSCGKSA-N 2 2 333.461 1.952 40 0 EDABLP CN(C)c1cc(CC[C@H]2C[N@H+](Cc3cncnc3)CCO2)cc[nH+]1 ZINC000257316078 443144778 /nfs/dbraw/zinc/14/47/78/443144778.db2.gz VEADUDCQNPGTRJ-KRWDZBQOSA-N 2 2 327.432 1.771 40 0 EDABLP CN(C)c1cc(CC[C@H]2C[N@@H+](Cc3cncnc3)CCO2)cc[nH+]1 ZINC000257316078 443144783 /nfs/dbraw/zinc/14/47/83/443144783.db2.gz VEADUDCQNPGTRJ-KRWDZBQOSA-N 2 2 327.432 1.771 40 0 EDABLP C[NH+](C)CCN1CCOC[C@]2(C[N@H+](Cc3ccsc3)CCO2)C1 ZINC000096229384 282101482 /nfs/dbraw/zinc/10/14/82/282101482.db2.gz GAOWKCAYUZYYON-QGZVFWFLSA-N 2 2 339.505 1.213 40 0 EDABLP C[NH+](C)CCN1CCOC[C@]2(C[N@@H+](Cc3ccsc3)CCO2)C1 ZINC000096229384 282101484 /nfs/dbraw/zinc/10/14/84/282101484.db2.gz GAOWKCAYUZYYON-QGZVFWFLSA-N 2 2 339.505 1.213 40 0 EDABLP COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096056252 442003666 /nfs/dbraw/zinc/00/36/66/442003666.db2.gz VSSITUUNQVQLAC-YSIASYRMSA-N 2 2 346.471 1.864 40 0 EDABLP COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000096056252 442003670 /nfs/dbraw/zinc/00/36/70/442003670.db2.gz VSSITUUNQVQLAC-YSIASYRMSA-N 2 2 346.471 1.864 40 0 EDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)CC1 ZINC000096057340 442004966 /nfs/dbraw/zinc/00/49/66/442004966.db2.gz WTYIFJNDCWWSGP-ZACQAIPSSA-N 2 2 333.432 1.176 40 0 EDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccco3)O2)CC1 ZINC000096057340 442004970 /nfs/dbraw/zinc/00/49/70/442004970.db2.gz WTYIFJNDCWWSGP-ZACQAIPSSA-N 2 2 333.432 1.176 40 0 EDABLP CN(C)C(=O)COC[C@@H]1Cn2c[nH+]cc2C[N@H+](Cc2cccnc2)C1 ZINC000096218714 442089624 /nfs/dbraw/zinc/08/96/24/442089624.db2.gz QZEUZNVCZYIPII-INIZCTEOSA-N 2 2 343.431 1.015 40 0 EDABLP CN(C)C(=O)COC[C@@H]1Cn2c[nH+]cc2C[N@@H+](Cc2cccnc2)C1 ZINC000096218714 442089629 /nfs/dbraw/zinc/08/96/29/442089629.db2.gz QZEUZNVCZYIPII-INIZCTEOSA-N 2 2 343.431 1.015 40 0 EDABLP Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257320476 443145999 /nfs/dbraw/zinc/14/59/99/443145999.db2.gz VWZCZLFWFAPAFR-MRXNPFEDSA-N 2 2 332.452 1.395 40 0 EDABLP Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257320476 443146000 /nfs/dbraw/zinc/14/60/00/443146000.db2.gz VWZCZLFWFAPAFR-MRXNPFEDSA-N 2 2 332.452 1.395 40 0 EDABLP CC[NH+]1CCC(N2CC[N@H+](C)[C@H](c3cccc(C(=O)NC)c3)C2)CC1 ZINC000257250437 244268832 /nfs/dbraw/zinc/26/88/32/244268832.db2.gz JMNSJGKEBMCNFK-IBGZPJMESA-N 2 2 344.503 1.819 40 0 EDABLP CC[NH+]1CCC(N2CC[N@@H+](C)[C@H](c3cccc(C(=O)NC)c3)C2)CC1 ZINC000257250437 244268836 /nfs/dbraw/zinc/26/88/36/244268836.db2.gz JMNSJGKEBMCNFK-IBGZPJMESA-N 2 2 344.503 1.819 40 0 EDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccoc3)O2)CC1 ZINC000096057342 442005114 /nfs/dbraw/zinc/00/51/14/442005114.db2.gz SDIOCCWGLSQNSK-ZACQAIPSSA-N 2 2 333.432 1.176 40 0 EDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccoc3)O2)CC1 ZINC000096057342 442005119 /nfs/dbraw/zinc/00/51/19/442005119.db2.gz SDIOCCWGLSQNSK-ZACQAIPSSA-N 2 2 333.432 1.176 40 0 EDABLP Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096070376 442019100 /nfs/dbraw/zinc/01/91/00/442019100.db2.gz KWVXFENOEBMHNJ-GOSISDBHSA-N 2 2 330.432 1.738 40 0 EDABLP Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096070376 442019106 /nfs/dbraw/zinc/01/91/06/442019106.db2.gz KWVXFENOEBMHNJ-GOSISDBHSA-N 2 2 330.432 1.738 40 0 EDABLP CN(C)c1cc(N2CC3(C2)C[C@@H](COCC2CC2)CC[N@@H+]3C)nc[nH+]1 ZINC000248135102 442883557 /nfs/dbraw/zinc/88/35/57/442883557.db2.gz RINVWGSPBYQEFS-INIZCTEOSA-N 2 2 345.491 1.870 40 0 EDABLP CN(C)c1cc(N2CC3(C2)C[C@@H](COCC2CC2)CC[N@H+]3C)nc[nH+]1 ZINC000248135102 442883564 /nfs/dbraw/zinc/88/35/64/442883564.db2.gz RINVWGSPBYQEFS-INIZCTEOSA-N 2 2 345.491 1.870 40 0 EDABLP C[NH+]1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585275252 448719120 /nfs/dbraw/zinc/71/91/20/448719120.db2.gz BBNNBUMLKMPTNY-SFHVURJKSA-N 2 2 338.423 1.362 40 0 EDABLP C[NH+]1CCC([N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585275252 448719123 /nfs/dbraw/zinc/71/91/23/448719123.db2.gz BBNNBUMLKMPTNY-SFHVURJKSA-N 2 2 338.423 1.362 40 0 EDABLP Cc1[nH+]ccn1CCN(C)c1cc([C@@H]2C[N@H+](C)CCO2)nc(C)n1 ZINC000072387091 216185646 /nfs/dbraw/zinc/18/56/46/216185646.db2.gz OGIMUSKPYRMJLE-INIZCTEOSA-N 2 2 330.436 1.429 40 0 EDABLP Cc1[nH+]ccn1CCN(C)c1cc([C@@H]2C[N@@H+](C)CCO2)nc(C)n1 ZINC000072387091 216185650 /nfs/dbraw/zinc/18/56/50/216185650.db2.gz OGIMUSKPYRMJLE-INIZCTEOSA-N 2 2 330.436 1.429 40 0 EDABLP Cn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](Cc1cccs1)C2 ZINC000096060655 442008712 /nfs/dbraw/zinc/00/87/12/442008712.db2.gz ZAUKZPUGKAOVIM-ZDUSSCGKSA-N 2 2 335.477 1.554 40 0 EDABLP Cn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](Cc1cccs1)C2 ZINC000096060655 442008718 /nfs/dbraw/zinc/00/87/18/442008718.db2.gz ZAUKZPUGKAOVIM-ZDUSSCGKSA-N 2 2 335.477 1.554 40 0 EDABLP Cn1ccnc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158794 442047957 /nfs/dbraw/zinc/04/79/57/442047957.db2.gz ZIKCLVNXWVSMBQ-UHFFFAOYSA-N 2 2 341.459 1.682 40 0 EDABLP Cn1ccnc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158794 442047961 /nfs/dbraw/zinc/04/79/61/442047961.db2.gz ZIKCLVNXWVSMBQ-UHFFFAOYSA-N 2 2 341.459 1.682 40 0 EDABLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC000096215319 442085847 /nfs/dbraw/zinc/08/58/47/442085847.db2.gz AHFMNPWJJOWFPJ-IBGZPJMESA-N 2 2 330.476 1.766 40 0 EDABLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC000096215319 442085851 /nfs/dbraw/zinc/08/58/51/442085851.db2.gz AHFMNPWJJOWFPJ-IBGZPJMESA-N 2 2 330.476 1.766 40 0 EDABLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)n1 ZINC000096215319 442085855 /nfs/dbraw/zinc/08/58/55/442085855.db2.gz AHFMNPWJJOWFPJ-IBGZPJMESA-N 2 2 330.476 1.766 40 0 EDABLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(=O)N(C)C)C3)n1 ZINC000096215319 442085858 /nfs/dbraw/zinc/08/58/58/442085858.db2.gz AHFMNPWJJOWFPJ-IBGZPJMESA-N 2 2 330.476 1.766 40 0 EDABLP CCc1ccc(C[NH+]2CCC([N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585290580 448736194 /nfs/dbraw/zinc/73/61/94/448736194.db2.gz FNEFPKHUSACWCA-AQNXPRMDSA-N 2 2 348.487 1.266 40 0 EDABLP CCc1ccc(C[NH+]2CCC([N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585290580 448736197 /nfs/dbraw/zinc/73/61/97/448736197.db2.gz FNEFPKHUSACWCA-AQNXPRMDSA-N 2 2 348.487 1.266 40 0 EDABLP Cc1[nH+]c2ccccn2c1CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000257243956 244251430 /nfs/dbraw/zinc/25/14/30/244251430.db2.gz IJHANWWQPSICEK-UHFFFAOYSA-N 2 2 330.432 1.412 40 0 EDABLP Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2nccs2)CCO3)cn1 ZINC000096048976 441996856 /nfs/dbraw/zinc/99/68/56/441996856.db2.gz YUNVXHMITZZATR-UHFFFAOYSA-N 2 2 347.488 1.744 40 0 EDABLP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2nccs2)CCO3)cn1 ZINC000096048976 441996860 /nfs/dbraw/zinc/99/68/60/441996860.db2.gz YUNVXHMITZZATR-UHFFFAOYSA-N 2 2 347.488 1.744 40 0 EDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096052074 442001584 /nfs/dbraw/zinc/00/15/84/442001584.db2.gz RYNNEYGXEHNJQA-SJLPKXTDSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c[nH+]1 ZINC000096052074 442001591 /nfs/dbraw/zinc/00/15/91/442001591.db2.gz RYNNEYGXEHNJQA-SJLPKXTDSA-N 2 2 328.416 1.586 40 0 EDABLP c1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)nc1 ZINC000096160286 442051346 /nfs/dbraw/zinc/05/13/46/442051346.db2.gz MFTYQFCHHHTKNR-MOPGFXCFSA-N 2 2 347.459 1.164 40 0 EDABLP c1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)nc1 ZINC000096160286 442051348 /nfs/dbraw/zinc/05/13/48/442051348.db2.gz MFTYQFCHHHTKNR-MOPGFXCFSA-N 2 2 347.459 1.164 40 0 EDABLP C[NH+](C)Cc1nccnc1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000257260893 536063781 /nfs/dbraw/zinc/06/37/81/536063781.db2.gz LEXZVDRWHRQHKT-UHFFFAOYSA-N 2 2 328.420 1.141 40 0 EDABLP Cc1ccccc1C[NH+]1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000009062979 441102670 /nfs/dbraw/zinc/10/26/70/441102670.db2.gz QJBAUNWHDFSFTL-UHFFFAOYSA-N 2 2 345.487 1.655 40 0 EDABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000257296362 443135752 /nfs/dbraw/zinc/13/57/52/443135752.db2.gz RCMKCNVZWKINTL-MRXNPFEDSA-N 2 2 333.480 1.450 40 0 EDABLP Cc1snnc1C(=O)N1Cc2[nH+]ccn2C[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000585110696 448691049 /nfs/dbraw/zinc/69/10/49/448691049.db2.gz VNFOFBFSPFNQPE-CYBMUJFWSA-N 2 2 348.476 1.655 40 0 EDABLP Cc1snnc1C(=O)N1Cc2[nH+]ccn2C[C@@H](C[N@H+](C)C(C)C)C1 ZINC000585110696 448691054 /nfs/dbraw/zinc/69/10/54/448691054.db2.gz VNFOFBFSPFNQPE-CYBMUJFWSA-N 2 2 348.476 1.655 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585278057 448725320 /nfs/dbraw/zinc/72/53/20/448725320.db2.gz PUGAHLNCSWUODH-FQEVSTJZSA-N 2 2 348.487 1.921 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCOC[C@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585278057 448725322 /nfs/dbraw/zinc/72/53/22/448725322.db2.gz PUGAHLNCSWUODH-FQEVSTJZSA-N 2 2 348.487 1.921 40 0 EDABLP CN(C)c1cc([C@@H]2CCCN2C(=O)CC[NH+]2CCOCC2)cc[nH+]1 ZINC000257227103 536144917 /nfs/dbraw/zinc/14/49/17/536144917.db2.gz FNQNOBPNVJOOKZ-INIZCTEOSA-N 2 2 332.448 1.533 40 0 EDABLP CCc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257211321 244154842 /nfs/dbraw/zinc/15/48/42/244154842.db2.gz BYLMYPNUSYBOJM-QGZVFWFLSA-N 2 2 342.443 1.969 40 0 EDABLP CCc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257211321 244154850 /nfs/dbraw/zinc/15/48/50/244154850.db2.gz BYLMYPNUSYBOJM-QGZVFWFLSA-N 2 2 342.443 1.969 40 0 EDABLP CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-n3cc[nH+]c3)cc[nH+]2)C1 ZINC000257245939 244255574 /nfs/dbraw/zinc/25/55/74/244255574.db2.gz IRUHAZDOSOKXED-ZDUSSCGKSA-N 2 2 335.433 1.253 40 0 EDABLP Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000019289967 212011592 /nfs/dbraw/zinc/01/15/92/212011592.db2.gz DIHVHLQQXGVKMF-UHFFFAOYSA-N 2 2 343.475 1.858 40 0 EDABLP c1cn2c([nH+]1)CN(c1ncccn1)C[C@H](COCC[NH+]1CCCC1)C2 ZINC000096066863 275073104 /nfs/dbraw/zinc/07/31/04/275073104.db2.gz SWMTXRRBYLUWHA-MRXNPFEDSA-N 2 2 342.447 1.422 40 0 EDABLP Cn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](Cc1cccs1)C2 ZINC000096060654 442008105 /nfs/dbraw/zinc/00/81/05/442008105.db2.gz ZAUKZPUGKAOVIM-CYBMUJFWSA-N 2 2 335.477 1.554 40 0 EDABLP Cn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](Cc1cccs1)C2 ZINC000096060654 442008107 /nfs/dbraw/zinc/00/81/07/442008107.db2.gz ZAUKZPUGKAOVIM-CYBMUJFWSA-N 2 2 335.477 1.554 40 0 EDABLP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)N1CC[NH+]1CCOCC1 ZINC000096110746 442035811 /nfs/dbraw/zinc/03/58/11/442035811.db2.gz PFELCYRCPSSCNL-IAGOWNOFSA-N 2 2 349.500 1.646 40 0 EDABLP O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)N1CC[NH+]1CCOCC1 ZINC000096110746 442035813 /nfs/dbraw/zinc/03/58/13/442035813.db2.gz PFELCYRCPSSCNL-IAGOWNOFSA-N 2 2 349.500 1.646 40 0 EDABLP c1cc(C[N@H+]2CCc3[nH+]cc(CN4CCOCC4)n3CC2)cs1 ZINC000096196903 442070334 /nfs/dbraw/zinc/07/03/34/442070334.db2.gz IJHXVDVZJWRSRB-UHFFFAOYSA-N 2 2 332.473 1.835 40 0 EDABLP c1cc(C[N@@H+]2CCc3[nH+]cc(CN4CCOCC4)n3CC2)cs1 ZINC000096196903 442070341 /nfs/dbraw/zinc/07/03/41/442070341.db2.gz IJHXVDVZJWRSRB-UHFFFAOYSA-N 2 2 332.473 1.835 40 0 EDABLP Cc1noc(C)c1C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196938 442071055 /nfs/dbraw/zinc/07/10/55/442071055.db2.gz OZJXLVZJSJTPGD-UHFFFAOYSA-N 2 2 326.404 1.791 40 0 EDABLP Cc1noc(C)c1C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196938 442071059 /nfs/dbraw/zinc/07/10/59/442071059.db2.gz OZJXLVZJSJTPGD-UHFFFAOYSA-N 2 2 326.404 1.791 40 0 EDABLP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC000019590083 212049482 /nfs/dbraw/zinc/04/94/82/212049482.db2.gz ADXHFFDSGXLVMH-IAGOWNOFSA-N 2 2 325.403 1.147 40 0 EDABLP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2O)CC1 ZINC000019590083 212049485 /nfs/dbraw/zinc/04/94/85/212049485.db2.gz ADXHFFDSGXLVMH-IAGOWNOFSA-N 2 2 325.403 1.147 40 0 EDABLP O=C(NCc1c[nH+]c2n1CC[N@@H+](Cc1ccoc1)CC2)C1CCC1 ZINC000096197059 442071027 /nfs/dbraw/zinc/07/10/27/442071027.db2.gz VUJHDLWCDVUMJW-UHFFFAOYSA-N 2 2 328.416 1.951 40 0 EDABLP O=C(NCc1c[nH+]c2n1CC[N@H+](Cc1ccoc1)CC2)C1CCC1 ZINC000096197059 442071030 /nfs/dbraw/zinc/07/10/30/442071030.db2.gz VUJHDLWCDVUMJW-UHFFFAOYSA-N 2 2 328.416 1.951 40 0 EDABLP CC(=O)N1CCC[C@H]1c1cncc(C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000257314536 443143683 /nfs/dbraw/zinc/14/36/83/443143683.db2.gz UXKMJZRVHPRWKI-SFHVURJKSA-N 2 2 331.464 1.686 40 0 EDABLP CC(=O)N1CCC[C@H]1c1cncc(C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000257314536 443143686 /nfs/dbraw/zinc/14/36/86/443143686.db2.gz UXKMJZRVHPRWKI-SFHVURJKSA-N 2 2 331.464 1.686 40 0 EDABLP Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000072379019 216181229 /nfs/dbraw/zinc/18/12/29/216181229.db2.gz ADDRJPNLBNRABS-UHFFFAOYSA-N 2 2 327.432 1.843 40 0 EDABLP CNC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2[nH+]ccn2C(C)C)c1 ZINC000257246186 244257521 /nfs/dbraw/zinc/25/75/21/244257521.db2.gz ISYBOUHHAXQQKY-QGZVFWFLSA-N 2 2 341.459 1.970 40 0 EDABLP Cc1nc2[nH]ccc2c(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000080947777 441211478 /nfs/dbraw/zinc/21/14/78/441211478.db2.gz YTFXUDKBWFQNIJ-UHFFFAOYSA-N 2 2 342.447 1.257 40 0 EDABLP CCCn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1cccc(C(=O)NC)c1 ZINC000257286191 443131383 /nfs/dbraw/zinc/13/13/83/443131383.db2.gz PKRKPXYQDNCNAZ-QGZVFWFLSA-N 2 2 341.459 1.799 40 0 EDABLP COc1ccccc1CNc1cc(C2CC2)[nH+]c(NCC[NH+](C)C)n1 ZINC000329045056 444456346 /nfs/dbraw/zinc/45/63/46/444456346.db2.gz TURSAVAPFJYRFA-UHFFFAOYSA-N 2 2 341.459 1.792 40 0 EDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@H]2c1ccccc1 ZINC000009289433 211062352 /nfs/dbraw/zinc/06/23/52/211062352.db2.gz ORICMVGGUBACQP-MRXNPFEDSA-N 2 2 338.415 1.128 40 0 EDABLP c1cncc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739693 441428641 /nfs/dbraw/zinc/42/86/41/441428641.db2.gz GAJKUAXIRMEVPE-RBUKOAKNSA-N 2 2 347.459 1.164 40 0 EDABLP c1cncc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739693 441428644 /nfs/dbraw/zinc/42/86/44/441428644.db2.gz GAJKUAXIRMEVPE-RBUKOAKNSA-N 2 2 347.459 1.164 40 0 EDABLP Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCN(C)CC4)CO3)CC2)o1 ZINC000096048842 441996230 /nfs/dbraw/zinc/99/62/30/441996230.db2.gz IDPAZHFJPWPCJR-KRWDZBQOSA-N 2 2 333.476 1.959 40 0 EDABLP Cc1ccc(C[NH+]2CCC3(C[C@H](N4CC[NH+](C)CC4)CO3)CC2)o1 ZINC000096048842 441996235 /nfs/dbraw/zinc/99/62/35/441996235.db2.gz IDPAZHFJPWPCJR-KRWDZBQOSA-N 2 2 333.476 1.959 40 0 EDABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@H+](CC4CC4)C3)C2)nc[nH+]1 ZINC000096209551 442084376 /nfs/dbraw/zinc/08/43/76/442084376.db2.gz IAIGBYIATUMWJQ-MAUKXSAKSA-N 2 2 331.464 1.988 40 0 EDABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc[nH+]1 ZINC000096209551 442084381 /nfs/dbraw/zinc/08/43/81/442084381.db2.gz IAIGBYIATUMWJQ-MAUKXSAKSA-N 2 2 331.464 1.988 40 0 EDABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@H+](CC4CC4)C3)C2)[nH+]cn1 ZINC000096209551 442084384 /nfs/dbraw/zinc/08/43/84/442084384.db2.gz IAIGBYIATUMWJQ-MAUKXSAKSA-N 2 2 331.464 1.988 40 0 EDABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@@H+](CC4CC4)C3)C2)[nH+]cn1 ZINC000096209551 442084388 /nfs/dbraw/zinc/08/43/88/442084388.db2.gz IAIGBYIATUMWJQ-MAUKXSAKSA-N 2 2 331.464 1.988 40 0 EDABLP C[NH+]1CCN(C(=O)c2cc([C@H]3C[NH2+]CCO3)nc3ccccc32)CC1 ZINC000257325527 443147651 /nfs/dbraw/zinc/14/76/51/443147651.db2.gz WTIOMBRJEBXXQM-GOSISDBHSA-N 2 2 340.427 1.283 40 0 EDABLP CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)[nH+]1 ZINC000328996681 444438261 /nfs/dbraw/zinc/43/82/61/444438261.db2.gz JLJGMUILGNAZQC-UHFFFAOYSA-N 2 2 326.448 1.616 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107738991 441428405 /nfs/dbraw/zinc/42/84/05/441428405.db2.gz UEPOILGZIKXSFL-ZWKOTPCHSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000107738991 441428409 /nfs/dbraw/zinc/42/84/09/441428409.db2.gz UEPOILGZIKXSFL-ZWKOTPCHSA-N 2 2 328.416 1.586 40 0 EDABLP C[NH+](C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCC[N@@H+]3C)n3ccccc23)C1 ZINC000306131419 444286007 /nfs/dbraw/zinc/28/60/07/444286007.db2.gz KDWOQIDFHNRTGG-HOCLYGCPSA-N 2 2 341.459 1.877 40 0 EDABLP C[NH+](C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCC[N@H+]3C)n3ccccc23)C1 ZINC000306131419 444286009 /nfs/dbraw/zinc/28/60/09/444286009.db2.gz KDWOQIDFHNRTGG-HOCLYGCPSA-N 2 2 341.459 1.877 40 0 EDABLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCCn2cc[nH+]c2)cc1 ZINC000257222414 536945017 /nfs/dbraw/zinc/94/50/17/536945017.db2.gz DTESNGIUSCMRAD-QGZVFWFLSA-N 2 2 328.416 1.845 40 0 EDABLP Cc1cnc(C(=O)N2Cc3c[nH+]cn3[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000306126563 444285011 /nfs/dbraw/zinc/28/50/11/444285011.db2.gz DYZAUXZRHVCVIP-MRXNPFEDSA-N 2 2 340.431 1.665 40 0 EDABLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099325 448683612 /nfs/dbraw/zinc/68/36/12/448683612.db2.gz FBUUVMMFQBCKBT-INIZCTEOSA-N 2 2 331.445 1.501 40 0 EDABLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@]2(CN(Cc3cncs3)C2=O)C1 ZINC000585099325 448683615 /nfs/dbraw/zinc/68/36/15/448683615.db2.gz FBUUVMMFQBCKBT-INIZCTEOSA-N 2 2 331.445 1.501 40 0 EDABLP CN(C)c1cc(CC[C@H]2C[N@H+](Cc3cnccn3)CCO2)cc[nH+]1 ZINC000257248739 244263639 /nfs/dbraw/zinc/26/36/39/244263639.db2.gz JEZCXQQSKMSCNE-KRWDZBQOSA-N 2 2 327.432 1.771 40 0 EDABLP CN(C)c1cc(CC[C@H]2C[N@@H+](Cc3cnccn3)CCO2)cc[nH+]1 ZINC000257248739 244263645 /nfs/dbraw/zinc/26/36/45/244263645.db2.gz JEZCXQQSKMSCNE-KRWDZBQOSA-N 2 2 327.432 1.771 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccccn4)C[C@@H]2C3)cn1 ZINC000306139060 257924201 /nfs/dbraw/zinc/92/42/01/257924201.db2.gz SOHKUPKMVOUKHZ-GOEBONIOSA-N 2 2 334.427 1.983 40 0 EDABLP Cn1cc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccccn4)C[C@@H]2C3)cn1 ZINC000306139060 257924203 /nfs/dbraw/zinc/92/42/03/257924203.db2.gz SOHKUPKMVOUKHZ-GOEBONIOSA-N 2 2 334.427 1.983 40 0 EDABLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019288103 441255783 /nfs/dbraw/zinc/25/57/83/441255783.db2.gz XYSMHQRCSDWBMC-UHFFFAOYSA-N 2 2 327.432 1.711 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000107739001 441428303 /nfs/dbraw/zinc/42/83/03/441428303.db2.gz HDCCXLJQVUTURN-ZWKOTPCHSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000107739001 441428307 /nfs/dbraw/zinc/42/83/07/441428307.db2.gz HDCCXLJQVUTURN-ZWKOTPCHSA-N 2 2 328.416 1.586 40 0 EDABLP c1cc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC000107739698 441428569 /nfs/dbraw/zinc/42/85/69/441428569.db2.gz ZIUIARWBNQZANO-OALUTQOASA-N 2 2 347.459 1.164 40 0 EDABLP c1cc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC000107739698 441428571 /nfs/dbraw/zinc/42/85/71/441428571.db2.gz ZIUIARWBNQZANO-OALUTQOASA-N 2 2 347.459 1.164 40 0 EDABLP Cc1cccc(OC[C@@]2(O)COCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000585276101 448721225 /nfs/dbraw/zinc/72/12/25/448721225.db2.gz LWEKDGYGJMRJAC-IBGZPJMESA-N 2 2 334.460 1.531 40 0 EDABLP Cc1cccc(OC[C@@]2(O)COCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000585276101 448721229 /nfs/dbraw/zinc/72/12/29/448721229.db2.gz LWEKDGYGJMRJAC-IBGZPJMESA-N 2 2 334.460 1.531 40 0 EDABLP Cc1nc(CCC(=O)NCc2[nH+]ccn2C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072366881 216173427 /nfs/dbraw/zinc/17/34/27/216173427.db2.gz YOUQIMGXYSYHDI-CQSZACIVSA-N 2 2 342.447 1.235 40 0 EDABLP O=C(NCC[NH+]1CCCC1)C1=NO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000096225571 442094075 /nfs/dbraw/zinc/09/40/75/442094075.db2.gz FIUHZTOPLARMTB-GOSISDBHSA-N 2 2 346.431 1.212 40 0 EDABLP O=C(NCC[NH+]1CCCC1)C1=NO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096225571 442094078 /nfs/dbraw/zinc/09/40/78/442094078.db2.gz FIUHZTOPLARMTB-GOSISDBHSA-N 2 2 346.431 1.212 40 0 EDABLP c1c(NCC[NH+]2CCOCC2)nc(NC2CCCC2)[nH+]c1C1CC1 ZINC000328955903 444421696 /nfs/dbraw/zinc/42/16/96/444421696.db2.gz ADPBUPKCVFZQCV-UHFFFAOYSA-N 2 2 331.464 1.296 40 0 EDABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257206912 244136425 /nfs/dbraw/zinc/13/64/25/244136425.db2.gz BFLLQESWPSNLEY-MRXNPFEDSA-N 2 2 342.447 1.797 40 0 EDABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000257204210 244126849 /nfs/dbraw/zinc/12/68/49/244126849.db2.gz ATNMXHGRPIJLPQ-LJQANCHMSA-N 2 2 342.443 1.244 40 0 EDABLP c1csc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096052016 441999188 /nfs/dbraw/zinc/99/91/88/441999188.db2.gz FXBZZXVUKMYBTK-NVXWUHKLSA-N 2 2 337.489 1.846 40 0 EDABLP c1csc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096052016 441999196 /nfs/dbraw/zinc/99/91/96/441999196.db2.gz FXBZZXVUKMYBTK-NVXWUHKLSA-N 2 2 337.489 1.846 40 0 EDABLP CCOCC(=O)N1Cc2[nH+]ccn2C[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000096067130 442016642 /nfs/dbraw/zinc/01/66/42/442016642.db2.gz BZMZIEBHLREHST-HNNXBMFYSA-N 2 2 346.431 1.603 40 0 EDABLP CCOCC(=O)N1Cc2[nH+]ccn2C[C@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000096067130 442016647 /nfs/dbraw/zinc/01/66/47/442016647.db2.gz BZMZIEBHLREHST-HNNXBMFYSA-N 2 2 346.431 1.603 40 0 EDABLP Cc1ccc(C[N@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)s1 ZINC000096196986 442071077 /nfs/dbraw/zinc/07/10/77/442071077.db2.gz JYFSLEHITXNJRR-UHFFFAOYSA-N 2 2 328.445 1.951 40 0 EDABLP Cc1ccc(C[N@@H+]2CCc3[nH+]cc(Cn4cncn4)n3CC2)s1 ZINC000096196986 442071081 /nfs/dbraw/zinc/07/10/81/442071081.db2.gz JYFSLEHITXNJRR-UHFFFAOYSA-N 2 2 328.445 1.951 40 0 EDABLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257241348 443126115 /nfs/dbraw/zinc/12/61/15/443126115.db2.gz HXSWBGGTKMTNIH-IAGOWNOFSA-N 2 2 328.416 1.012 40 0 EDABLP CC(C)C[C@@H](NC(=O)[C@H]([NH2+]CC[NH3+])C(C)C)C(=O)Nc1ccccc1 ZINC000224555078 486171619 /nfs/dbraw/zinc/17/16/19/486171619.db2.gz UABCFHFXPFDWCS-IAGOWNOFSA-N 2 2 348.491 1.729 40 0 EDABLP Cc1[nH]c(C[N@H+]2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)c[nH+]1 ZINC000108524927 441459444 /nfs/dbraw/zinc/45/94/44/441459444.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 2 2 328.420 1.236 40 0 EDABLP Cc1[nH]c(C[N@@H+]2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)c[nH+]1 ZINC000108524927 441459448 /nfs/dbraw/zinc/45/94/48/441459448.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 2 2 328.420 1.236 40 0 EDABLP CN1CC[NH+]([C@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)CC1 ZINC000096048850 441996424 /nfs/dbraw/zinc/99/64/24/441996424.db2.gz WPTBVUHIVXIKFW-GOSISDBHSA-N 2 2 330.476 1.453 40 0 EDABLP C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)CC1 ZINC000096048850 441996432 /nfs/dbraw/zinc/99/64/32/441996432.db2.gz WPTBVUHIVXIKFW-GOSISDBHSA-N 2 2 330.476 1.453 40 0 EDABLP c1[nH+]c2n(c1-c1cncnc1)C[C@]1(C2)COCC[N@@H+](CC2CC2)C1 ZINC000306130196 444285759 /nfs/dbraw/zinc/28/57/59/444285759.db2.gz IZABUQIVEZSUEO-GOSISDBHSA-N 2 2 325.416 1.625 40 0 EDABLP c1[nH+]c2n(c1-c1cncnc1)C[C@]1(C2)COCC[N@H+](CC2CC2)C1 ZINC000306130196 444285762 /nfs/dbraw/zinc/28/57/62/444285762.db2.gz IZABUQIVEZSUEO-GOSISDBHSA-N 2 2 325.416 1.625 40 0 EDABLP CCNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccccc2)[nH+]1 ZINC000328961013 444424098 /nfs/dbraw/zinc/42/40/98/444424098.db2.gz AZZPWXNITIHJPM-UHFFFAOYSA-N 2 2 340.475 1.079 40 0 EDABLP COc1cccc(CC(=O)N2Cc3[nH+]ccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC000096066898 442014449 /nfs/dbraw/zinc/01/44/49/442014449.db2.gz AOPNFKYPWSFZOV-MRXNPFEDSA-N 2 2 342.443 1.654 40 0 EDABLP c1csc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107738774 441428430 /nfs/dbraw/zinc/42/84/30/441428430.db2.gz FXBZZXVUKMYBTK-DOTOQJQBSA-N 2 2 337.489 1.846 40 0 EDABLP c1csc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107738774 441428434 /nfs/dbraw/zinc/42/84/34/441428434.db2.gz FXBZZXVUKMYBTK-DOTOQJQBSA-N 2 2 337.489 1.846 40 0 EDABLP C[NH+](C)CCOCc1nnn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096058820 442006441 /nfs/dbraw/zinc/00/64/41/442006441.db2.gz PPDDKMHTHMLTEL-UHFFFAOYSA-N 2 2 335.477 1.824 40 0 EDABLP C[NH+](C)CCOCc1nnn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096058820 442006445 /nfs/dbraw/zinc/00/64/45/442006445.db2.gz PPDDKMHTHMLTEL-UHFFFAOYSA-N 2 2 335.477 1.824 40 0 EDABLP Cc1ccc(C[N@@H+]2CCCn3nnc(COCC[NH+](C)C)c3C2)o1 ZINC000096058825 442006860 /nfs/dbraw/zinc/00/68/60/442006860.db2.gz OVRYRPZPISGLNW-UHFFFAOYSA-N 2 2 333.436 1.664 40 0 EDABLP Cc1ccc(C[N@H+]2CCCn3nnc(COCC[NH+](C)C)c3C2)o1 ZINC000096058825 442006863 /nfs/dbraw/zinc/00/68/63/442006863.db2.gz OVRYRPZPISGLNW-UHFFFAOYSA-N 2 2 333.436 1.664 40 0 EDABLP CC[N@@H+]1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)nc[nH+]3)O2)C1 ZINC000096160699 442050814 /nfs/dbraw/zinc/05/08/14/442050814.db2.gz HOKATBCSYZWENX-RHSMWYFYSA-N 2 2 335.452 1.224 40 0 EDABLP CC[N@H+]1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)nc[nH+]3)O2)C1 ZINC000096160699 442050818 /nfs/dbraw/zinc/05/08/18/442050818.db2.gz HOKATBCSYZWENX-RHSMWYFYSA-N 2 2 335.452 1.224 40 0 EDABLP CC[N@@H+]1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)[nH+]cn3)O2)C1 ZINC000096160699 442050822 /nfs/dbraw/zinc/05/08/22/442050822.db2.gz HOKATBCSYZWENX-RHSMWYFYSA-N 2 2 335.452 1.224 40 0 EDABLP CC[N@H+]1CCOC[C@@]2(CC[C@H](CNc3cc(N(C)C)[nH+]cn3)O2)C1 ZINC000096160699 442050824 /nfs/dbraw/zinc/05/08/24/442050824.db2.gz HOKATBCSYZWENX-RHSMWYFYSA-N 2 2 335.452 1.224 40 0 EDABLP Cn1ccnc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC000096249707 442102618 /nfs/dbraw/zinc/10/26/18/442102618.db2.gz BPEAOENZVXDQBM-QZTJIDSGSA-N 2 2 341.459 1.538 40 0 EDABLP Cn1ccnc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC000096249707 442102621 /nfs/dbraw/zinc/10/26/21/442102621.db2.gz BPEAOENZVXDQBM-QZTJIDSGSA-N 2 2 341.459 1.538 40 0 EDABLP Cn1ccnc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC000096249707 442102630 /nfs/dbraw/zinc/10/26/30/442102630.db2.gz BPEAOENZVXDQBM-QZTJIDSGSA-N 2 2 341.459 1.538 40 0 EDABLP Cn1ccnc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC000096249707 442102634 /nfs/dbraw/zinc/10/26/34/442102634.db2.gz BPEAOENZVXDQBM-QZTJIDSGSA-N 2 2 341.459 1.538 40 0 EDABLP O=C(NCc1cccs1)[C@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247484892 442856071 /nfs/dbraw/zinc/85/60/71/442856071.db2.gz KGZRJIBRABEIKQ-MRXNPFEDSA-N 2 2 346.456 1.797 40 0 EDABLP O=C(NCc1cccs1)[C@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247484892 442856073 /nfs/dbraw/zinc/85/60/73/442856073.db2.gz KGZRJIBRABEIKQ-MRXNPFEDSA-N 2 2 346.456 1.797 40 0 EDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072378733 216180651 /nfs/dbraw/zinc/18/06/51/216180651.db2.gz YHQFBMMXDUTRKB-MRXNPFEDSA-N 2 2 340.431 1.730 40 0 EDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072378733 216180654 /nfs/dbraw/zinc/18/06/54/216180654.db2.gz YHQFBMMXDUTRKB-MRXNPFEDSA-N 2 2 340.431 1.730 40 0 EDABLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CC[NH+]2CCOCC2)cc1 ZINC000107198499 441404213 /nfs/dbraw/zinc/40/42/13/441404213.db2.gz NVFXCMGGWJWPLU-RBUKOAKNSA-N 2 2 343.471 1.502 40 0 EDABLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3CC[NH+]2CCOCC2)cc1 ZINC000107198499 441404215 /nfs/dbraw/zinc/40/42/15/441404215.db2.gz NVFXCMGGWJWPLU-RBUKOAKNSA-N 2 2 343.471 1.502 40 0 EDABLP Cc1nn([C@H](C)CC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c(C)c1C ZINC000036740680 441609801 /nfs/dbraw/zinc/60/98/01/441609801.db2.gz NVSJBYFIBPFGLE-CQSZACIVSA-N 2 2 349.523 1.902 40 0 EDABLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3[nH+]ccn3C)CC[C@@H]21 ZINC000096185636 442059835 /nfs/dbraw/zinc/05/98/35/442059835.db2.gz DFAAWCBEHLSNLN-IKGGRYGDSA-N 2 2 343.479 1.385 40 0 EDABLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3[nH+]ccn3C)CC[C@@H]21 ZINC000096185636 442059839 /nfs/dbraw/zinc/05/98/39/442059839.db2.gz DFAAWCBEHLSNLN-IKGGRYGDSA-N 2 2 343.479 1.385 40 0 EDABLP Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)n(C)n1 ZINC000248032222 442878412 /nfs/dbraw/zinc/87/84/12/442878412.db2.gz LMRJMZOFPWVJCU-DJIMGWMZSA-N 2 2 327.432 1.682 40 0 EDABLP Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)n(C)n1 ZINC000248032222 442878416 /nfs/dbraw/zinc/87/84/16/442878416.db2.gz LMRJMZOFPWVJCU-DJIMGWMZSA-N 2 2 327.432 1.682 40 0 EDABLP Cc1ccccc1OC[C@]1(O)COCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000585275372 448719678 /nfs/dbraw/zinc/71/96/78/448719678.db2.gz DGFSNRGEIFNYLC-LJQANCHMSA-N 2 2 334.460 1.531 40 0 EDABLP Cc1ccccc1OC[C@]1(O)COCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000585275372 448719685 /nfs/dbraw/zinc/71/96/85/448719685.db2.gz DGFSNRGEIFNYLC-LJQANCHMSA-N 2 2 334.460 1.531 40 0 EDABLP Cc1nn([C@@H](C)CC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c(C)c1C ZINC000036740679 441609682 /nfs/dbraw/zinc/60/96/82/441609682.db2.gz NVSJBYFIBPFGLE-AWEZNQCLSA-N 2 2 349.523 1.902 40 0 EDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cccs3)O2)CC1 ZINC000096057341 442005288 /nfs/dbraw/zinc/00/52/88/442005288.db2.gz UBJAPOAZKAPHIY-ZACQAIPSSA-N 2 2 349.500 1.644 40 0 EDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccs3)O2)CC1 ZINC000096057341 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40 0 EDABLP Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)o1 ZINC000096049778 441998609 /nfs/dbraw/zinc/99/86/09/441998609.db2.gz GPEAAVQVFPERII-SFHVURJKSA-N 2 2 337.464 1.053 40 0 EDABLP Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)o1 ZINC000096049778 441998611 /nfs/dbraw/zinc/99/86/11/441998611.db2.gz GPEAAVQVFPERII-SFHVURJKSA-N 2 2 337.464 1.053 40 0 EDABLP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)CN1CC[NH+](C)CC1 ZINC000019285805 212009765 /nfs/dbraw/zinc/00/97/65/212009765.db2.gz WJEZJAHQQDDWKC-UHFFFAOYSA-N 2 2 339.443 1.413 40 0 EDABLP c1cncc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739690 441428984 /nfs/dbraw/zinc/42/89/84/441428984.db2.gz GAJKUAXIRMEVPE-OALUTQOASA-N 2 2 347.459 1.164 40 0 EDABLP c1cncc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739690 441428986 /nfs/dbraw/zinc/42/89/86/441428986.db2.gz GAJKUAXIRMEVPE-OALUTQOASA-N 2 2 347.459 1.164 40 0 EDABLP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096055902 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LFTHNAQUUOAKLC-CQSZACIVSA-N 2 2 340.427 1.826 40 0 EDABLP C[N@@H+](Cc1cn2c(n1)C[NH+](C[C@H]1CCOC1)CC2)Cc1ccco1 ZINC000107213207 441403790 /nfs/dbraw/zinc/40/37/90/441403790.db2.gz RSMDXPSXKDHCJZ-OAHLLOKOSA-N 2 2 330.432 1.960 40 0 EDABLP C[N@H+](Cc1cn2c(n1)C[NH+](C[C@H]1CCOC1)CC2)Cc1ccco1 ZINC000107213207 441403795 /nfs/dbraw/zinc/40/37/95/441403795.db2.gz RSMDXPSXKDHCJZ-OAHLLOKOSA-N 2 2 330.432 1.960 40 0 EDABLP C[NH+](Cc1cn2c(n1)C[N@@H+](C[C@H]1CCOC1)CC2)Cc1ccco1 ZINC000107213207 441403798 /nfs/dbraw/zinc/40/37/98/441403798.db2.gz RSMDXPSXKDHCJZ-OAHLLOKOSA-N 2 2 330.432 1.960 40 0 EDABLP C[NH+](Cc1cn2c(n1)C[N@H+](C[C@H]1CCOC1)CC2)Cc1ccco1 ZINC000107213207 441403803 /nfs/dbraw/zinc/40/38/03/441403803.db2.gz RSMDXPSXKDHCJZ-OAHLLOKOSA-N 2 2 330.432 1.960 40 0 EDABLP O=C(NCc1cccnc1)[C@@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247500006 442858127 /nfs/dbraw/zinc/85/81/27/442858127.db2.gz PMURLGYYUGKKJZ-KRWDZBQOSA-N 2 2 341.415 1.130 40 0 EDABLP O=C(NCc1cccnc1)[C@@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247500006 442858128 /nfs/dbraw/zinc/85/81/28/442858128.db2.gz PMURLGYYUGKKJZ-KRWDZBQOSA-N 2 2 341.415 1.130 40 0 EDABLP O=C(NCc1cccnc1)[C@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247500021 442858176 /nfs/dbraw/zinc/85/81/76/442858176.db2.gz PMURLGYYUGKKJZ-QGZVFWFLSA-N 2 2 341.415 1.130 40 0 EDABLP O=C(NCc1cccnc1)[C@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247500021 442858178 /nfs/dbraw/zinc/85/81/78/442858178.db2.gz PMURLGYYUGKKJZ-QGZVFWFLSA-N 2 2 341.415 1.130 40 0 EDABLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257336108 443152812 /nfs/dbraw/zinc/15/28/12/443152812.db2.gz YNFHYWSCQZPEPC-JFIYKMOQSA-N 2 2 334.464 1.500 40 0 EDABLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3CC3CC3)C2)cn1 ZINC000306138019 444287339 /nfs/dbraw/zinc/28/73/39/444287339.db2.gz RMXQYHQENKHFSM-QYZOEREBSA-N 2 2 331.508 1.657 40 0 EDABLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3CC3CC3)C2)cn1 ZINC000306138019 444287341 /nfs/dbraw/zinc/28/73/41/444287341.db2.gz RMXQYHQENKHFSM-QYZOEREBSA-N 2 2 331.508 1.657 40 0 EDABLP Cc1snnc1C(=O)N1Cc2[nH+]ccn2C[C@H](C[N@@H+](C)C(C)C)C1 ZINC000585110697 448691479 /nfs/dbraw/zinc/69/14/79/448691479.db2.gz VNFOFBFSPFNQPE-ZDUSSCGKSA-N 2 2 348.476 1.655 40 0 EDABLP Cc1snnc1C(=O)N1Cc2[nH+]ccn2C[C@H](C[N@H+](C)C(C)C)C1 ZINC000585110697 448691483 /nfs/dbraw/zinc/69/14/83/448691483.db2.gz VNFOFBFSPFNQPE-ZDUSSCGKSA-N 2 2 348.476 1.655 40 0 EDABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030944308 202201556 /nfs/dbraw/zinc/20/15/56/202201556.db2.gz WWTDAERENFNGEN-SFHVURJKSA-N 2 2 331.460 1.347 40 0 EDABLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030944308 202201559 /nfs/dbraw/zinc/20/15/59/202201559.db2.gz WWTDAERENFNGEN-SFHVURJKSA-N 2 2 331.460 1.347 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222800 279258583 /nfs/dbraw/zinc/25/85/83/279258583.db2.gz DUSOQJOJDIFIEA-GOSISDBHSA-N 2 2 331.464 1.734 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2cncc(CNC(C)=O)n2)CC1 ZINC000257222800 279258584 /nfs/dbraw/zinc/25/85/84/279258584.db2.gz DUSOQJOJDIFIEA-GOSISDBHSA-N 2 2 331.464 1.734 40 0 EDABLP C[NH+]1CCN(C(=O)[C@H]2C[C@H]3[C@H](CC[N@@H+]3Cc3cccs3)O2)CC1 ZINC000096183654 442057621 /nfs/dbraw/zinc/05/76/21/442057621.db2.gz ROHQMFDGEIAMOS-HRCADAONSA-N 2 2 335.473 1.254 40 0 EDABLP C[NH+]1CCN(C(=O)[C@H]2C[C@H]3[C@H](CC[N@H+]3Cc3cccs3)O2)CC1 ZINC000096183654 442057627 /nfs/dbraw/zinc/05/76/27/442057627.db2.gz ROHQMFDGEIAMOS-HRCADAONSA-N 2 2 335.473 1.254 40 0 EDABLP C[C@H]1C[N@H+](Cc2ccco2)C[C@@]12COCCN(Cc1[nH+]ccn1C)C2 ZINC000096202392 442078888 /nfs/dbraw/zinc/07/88/88/442078888.db2.gz FCVPWAOMKBXHFF-LPHOPBHVSA-N 2 2 344.459 1.984 40 0 EDABLP C[C@H]1C[N@@H+](Cc2ccco2)C[C@@]12COCCN(Cc1[nH+]ccn1C)C2 ZINC000096202392 442078890 /nfs/dbraw/zinc/07/88/90/442078890.db2.gz FCVPWAOMKBXHFF-LPHOPBHVSA-N 2 2 344.459 1.984 40 0 EDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCSCC1 ZINC000012602632 710698003 /nfs/dbraw/zinc/69/80/03/710698003.db2.gz OBOZDKUHOSJXEH-HRCADAONSA-N 2 2 340.537 1.453 40 0 biogenic,in-vitro EDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCSCC1 ZINC000012602632 710698008 /nfs/dbraw/zinc/69/80/08/710698008.db2.gz OBOZDKUHOSJXEH-HRCADAONSA-N 2 2 340.537 1.453 40 0 biogenic,in-vitro EDABLP Cc1cc(N)cc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)[nH+]1 ZINC000257204041 244127408 /nfs/dbraw/zinc/12/74/08/244127408.db2.gz ASUHDHVEODOZSD-MRXNPFEDSA-N 2 2 329.404 1.549 40 0 EDABLP COc1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCCCC3)[C@H]2O)cc1 ZINC000012529597 207164220 /nfs/dbraw/zinc/16/42/20/207164220.db2.gz FTLRJGLINDBUQU-IEWDOMPSSA-N 2 2 348.443 1.124 40 0 biogenic,in-vitro EDABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096197122 442069962 /nfs/dbraw/zinc/06/99/62/442069962.db2.gz OBLWTXJPCLQMBD-HNNXBMFYSA-N 2 2 327.432 1.785 40 0 EDABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096197122 442069966 /nfs/dbraw/zinc/06/99/66/442069966.db2.gz OBLWTXJPCLQMBD-HNNXBMFYSA-N 2 2 327.432 1.785 40 0 EDABLP c1cc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)ccn1 ZINC000096202044 442077755 /nfs/dbraw/zinc/07/77/55/442077755.db2.gz DYCWPFUMKMSYNA-IBGZPJMESA-N 2 2 331.460 1.785 40 0 EDABLP c1cc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)ccn1 ZINC000096202044 442077760 /nfs/dbraw/zinc/07/77/60/442077760.db2.gz DYCWPFUMKMSYNA-IBGZPJMESA-N 2 2 331.460 1.785 40 0 EDABLP c1cc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)ccn1 ZINC000096202044 442077765 /nfs/dbraw/zinc/07/77/65/442077765.db2.gz DYCWPFUMKMSYNA-IBGZPJMESA-N 2 2 331.460 1.785 40 0 EDABLP c1cc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)ccn1 ZINC000096202044 442077769 /nfs/dbraw/zinc/07/77/69/442077769.db2.gz DYCWPFUMKMSYNA-IBGZPJMESA-N 2 2 331.460 1.785 40 0 EDABLP C[NH+](C)CCNc1nc(NCc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000328967294 444426591 /nfs/dbraw/zinc/42/65/91/444426591.db2.gz CTIPATLGRORDFL-UHFFFAOYSA-N 2 2 329.423 1.923 40 0 EDABLP O=C(C[N@@H+]1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1)N1CCCC1 ZINC000072350551 203205259 /nfs/dbraw/zinc/20/52/59/203205259.db2.gz JLURXSQXUFARSW-HNNXBMFYSA-N 2 2 340.431 1.464 40 0 EDABLP O=C(C[N@H+]1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1)N1CCCC1 ZINC000072350551 203205262 /nfs/dbraw/zinc/20/52/62/203205262.db2.gz JLURXSQXUFARSW-HNNXBMFYSA-N 2 2 340.431 1.464 40 0 EDABLP [NH3+]CCOc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1 ZINC000257254344 244277689 /nfs/dbraw/zinc/27/76/89/244277689.db2.gz KCRLTFVZSSSNLB-BRWVUGGUSA-N 2 2 344.415 1.105 40 0 EDABLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)cn1 ZINC000096046980 441995081 /nfs/dbraw/zinc/99/50/81/441995081.db2.gz KFQUFLWMLKSDMI-GOSISDBHSA-N 2 2 328.464 1.642 40 0 EDABLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)c2)C3)cn1 ZINC000096046980 441995082 /nfs/dbraw/zinc/99/50/82/441995082.db2.gz KFQUFLWMLKSDMI-GOSISDBHSA-N 2 2 328.464 1.642 40 0 EDABLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)cn1 ZINC000096046980 441995084 /nfs/dbraw/zinc/99/50/84/441995084.db2.gz KFQUFLWMLKSDMI-GOSISDBHSA-N 2 2 328.464 1.642 40 0 EDABLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)cn1 ZINC000096046980 441995085 /nfs/dbraw/zinc/99/50/85/441995085.db2.gz KFQUFLWMLKSDMI-GOSISDBHSA-N 2 2 328.464 1.642 40 0 EDABLP CN1CC[NH+]([C@@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)CC1 ZINC000096048851 441997039 /nfs/dbraw/zinc/99/70/39/441997039.db2.gz WPTBVUHIVXIKFW-SFHVURJKSA-N 2 2 330.476 1.453 40 0 EDABLP C[NH+]1CCN([C@@H]2COC3(C2)CC[NH+](Cc2ccccn2)CC3)CC1 ZINC000096048851 441997044 /nfs/dbraw/zinc/99/70/44/441997044.db2.gz WPTBVUHIVXIKFW-SFHVURJKSA-N 2 2 330.476 1.453 40 0 EDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000096052076 442001288 /nfs/dbraw/zinc/00/12/88/442001288.db2.gz UEPOILGZIKXSFL-QZTJIDSGSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c[nH+]1 ZINC000096052076 442001293 /nfs/dbraw/zinc/00/12/93/442001293.db2.gz UEPOILGZIKXSFL-QZTJIDSGSA-N 2 2 328.416 1.586 40 0 EDABLP Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)s1 ZINC000096060667 442007850 /nfs/dbraw/zinc/00/78/50/442007850.db2.gz FIKZXSJNBRLOSL-CQSZACIVSA-N 2 2 349.504 1.863 40 0 EDABLP Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)s1 ZINC000096060667 442007854 /nfs/dbraw/zinc/00/78/54/442007854.db2.gz FIKZXSJNBRLOSL-CQSZACIVSA-N 2 2 349.504 1.863 40 0 EDABLP Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H](C[N@@H+](C)C(C)C)C2)no1 ZINC000096188325 442065685 /nfs/dbraw/zinc/06/56/85/442065685.db2.gz MIDMFALPSPFVSV-CQSZACIVSA-N 2 2 331.420 1.792 40 0 EDABLP Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H](C[N@H+](C)C(C)C)C2)no1 ZINC000096188325 442065690 /nfs/dbraw/zinc/06/56/90/442065690.db2.gz MIDMFALPSPFVSV-CQSZACIVSA-N 2 2 331.420 1.792 40 0 EDABLP OC1(c2csc(C[NH+]3CCC3)n2)CC[NH+](C2CCOCC2)CC1 ZINC000225421885 443101708 /nfs/dbraw/zinc/10/17/08/443101708.db2.gz KIWZRQXOOCMNSZ-UHFFFAOYSA-N 2 2 337.489 1.811 40 0 biogenic,in-vitro EDABLP COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)C1CC[NH2+]CC1 ZINC000257212031 244151924 /nfs/dbraw/zinc/15/19/24/244151924.db2.gz CBPMUMXHPTYOGB-MRXNPFEDSA-N 2 2 340.427 1.975 40 0 EDABLP CN(C)C(=O)N[C@H]1CCOC2(CC[NH+](Cc3c[nH+]cn3C)CC2)C1 ZINC000108526799 204265582 /nfs/dbraw/zinc/26/55/82/204265582.db2.gz KFVXJWHABVBIFA-AWEZNQCLSA-N 2 2 335.452 1.205 40 0 EDABLP C[NH+]1CCN(Cc2c[nH+]c3n2CC[N@@H+](Cc2cccnc2)CC3)CC1 ZINC000096196926 442070474 /nfs/dbraw/zinc/07/04/74/442070474.db2.gz YRNIBOIUBANRLO-UHFFFAOYSA-N 3 2 340.475 1.084 40 0 EDABLP C[NH+]1CCN(Cc2c[nH+]c3n2CC[N@H+](Cc2cccnc2)CC3)CC1 ZINC000096196926 442070483 /nfs/dbraw/zinc/07/04/83/442070483.db2.gz YRNIBOIUBANRLO-UHFFFAOYSA-N 3 2 340.475 1.084 40 0 EDABLP O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000503867892 448106959 /nfs/dbraw/zinc/10/69/59/448106959.db2.gz WGVQRABWCFGWLP-IRXDYDNUSA-N 2 2 333.432 1.177 40 0 EDABLP O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccco2)N1CC[NH+]1CCOCC1 ZINC000503867892 448106966 /nfs/dbraw/zinc/10/69/66/448106966.db2.gz WGVQRABWCFGWLP-IRXDYDNUSA-N 2 2 333.432 1.177 40 0 EDABLP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cc1 ZINC000257256736 535995442 /nfs/dbraw/zinc/99/54/42/535995442.db2.gz KMROJRQSDBDWIX-ROUUACIJSA-N 2 2 342.443 1.783 40 0 EDABLP Cc1ccc(NCc2c[nH+]c3n2CC[N@@H+](C[C@H]2CCOC2)CC3)nn1 ZINC000096197136 442070033 /nfs/dbraw/zinc/07/00/33/442070033.db2.gz UABXYRDJIBIDEQ-OAHLLOKOSA-N 2 2 342.447 1.488 40 0 EDABLP Cc1ccc(NCc2c[nH+]c3n2CC[N@H+](C[C@H]2CCOC2)CC3)nn1 ZINC000096197136 442070034 /nfs/dbraw/zinc/07/00/34/442070034.db2.gz UABXYRDJIBIDEQ-OAHLLOKOSA-N 2 2 342.447 1.488 40 0 EDABLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccncc4)C3)O2)CC1 ZINC000096207005 442080659 /nfs/dbraw/zinc/08/06/59/442080659.db2.gz CPRWCSOGWNJJGP-WOJBJXKFSA-N 2 2 344.503 1.843 40 0 EDABLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)O2)CC1 ZINC000096207005 442080660 /nfs/dbraw/zinc/08/06/60/442080660.db2.gz CPRWCSOGWNJJGP-WOJBJXKFSA-N 2 2 344.503 1.843 40 0 EDABLP CN(C)C(=O)COC[C@@H]1C[N@H+](CCc2ccccc2)Cc2c[nH+]cn21 ZINC000248014659 442877084 /nfs/dbraw/zinc/87/70/84/442877084.db2.gz QAJLICXMEBBCST-SFHVURJKSA-N 2 2 342.443 1.587 40 0 EDABLP CN(C)C(=O)COC[C@@H]1C[N@@H+](CCc2ccccc2)Cc2c[nH+]cn21 ZINC000248014659 442877087 /nfs/dbraw/zinc/87/70/87/442877087.db2.gz QAJLICXMEBBCST-SFHVURJKSA-N 2 2 342.443 1.587 40 0 EDABLP Cc1c[nH]c([C@@H]2COCCN2C(=O)CC[N@@H+](C)Cc2ccccn2)[nH+]1 ZINC000257200352 443124569 /nfs/dbraw/zinc/12/45/69/443124569.db2.gz ACYFDEAVOAKEKK-INIZCTEOSA-N 2 2 343.431 1.535 40 0 EDABLP Cc1c[nH]c([C@@H]2COCCN2C(=O)CC[N@H+](C)Cc2ccccn2)[nH+]1 ZINC000257200352 443124571 /nfs/dbraw/zinc/12/45/71/443124571.db2.gz ACYFDEAVOAKEKK-INIZCTEOSA-N 2 2 343.431 1.535 40 0 EDABLP C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000257251886 244271329 /nfs/dbraw/zinc/27/13/29/244271329.db2.gz JSSFGPFHVYYYBG-IAGOWNOFSA-N 2 2 346.406 1.116 40 0 EDABLP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC000257251886 244271334 /nfs/dbraw/zinc/27/13/34/244271334.db2.gz JSSFGPFHVYYYBG-IAGOWNOFSA-N 2 2 346.406 1.116 40 0 EDABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)CC1 ZINC000035426017 441604333 /nfs/dbraw/zinc/60/43/33/441604333.db2.gz WIIKVXTTXORRMM-ZDUSSCGKSA-N 2 2 329.408 1.340 40 0 biogenic,in-vitro EDABLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)CC1 ZINC000035426017 441604338 /nfs/dbraw/zinc/60/43/38/441604338.db2.gz WIIKVXTTXORRMM-ZDUSSCGKSA-N 2 2 329.408 1.340 40 0 biogenic,in-vitro EDABLP c1coc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000096052349 442000732 /nfs/dbraw/zinc/00/07/32/442000732.db2.gz XOQYEXILRLOIFL-MSOLQXFVSA-N 2 2 336.432 1.362 40 0 EDABLP c1coc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000096052349 442000738 /nfs/dbraw/zinc/00/07/38/442000738.db2.gz XOQYEXILRLOIFL-MSOLQXFVSA-N 2 2 336.432 1.362 40 0 EDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccc3c(c2)OCO3)C1 ZINC000096188203 442065954 /nfs/dbraw/zinc/06/59/54/442065954.db2.gz MDJBIOLULNOYMY-OAHLLOKOSA-N 2 2 328.416 1.805 40 0 EDABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096197049 442069813 /nfs/dbraw/zinc/06/98/13/442069813.db2.gz BOYLRYSAVFOVFN-HNNXBMFYSA-N 2 2 332.448 1.194 40 0 EDABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096197049 442069816 /nfs/dbraw/zinc/06/98/16/442069816.db2.gz BOYLRYSAVFOVFN-HNNXBMFYSA-N 2 2 332.448 1.194 40 0 EDABLP C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1Cc1cccc(F)c1 ZINC000585280392 448728813 /nfs/dbraw/zinc/72/88/13/448728813.db2.gz HMVXPKQWZIRHAI-IRXDYDNUSA-N 2 2 330.407 1.844 40 0 EDABLP C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1Cc1cccc(F)c1 ZINC000585280392 448728816 /nfs/dbraw/zinc/72/88/16/448728816.db2.gz HMVXPKQWZIRHAI-IRXDYDNUSA-N 2 2 330.407 1.844 40 0 EDABLP CCCCCOC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCC ZINC000022584280 202087987 /nfs/dbraw/zinc/08/79/87/202087987.db2.gz PSPSDCDWUSVNRF-ROUUACIJSA-N 2 2 348.528 1.301 40 0 EDABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)n2)n1C ZINC000257211310 244149389 /nfs/dbraw/zinc/14/93/89/244149389.db2.gz BYKSRINDUUFZSS-CQSZACIVSA-N 2 2 342.447 1.453 40 0 EDABLP CNC(=O)c1cccc([C@@H]2CN(C3CC[NH+](C)CC3)CC[N@@H+]2C)c1 ZINC000257254016 244274846 /nfs/dbraw/zinc/27/48/46/244274846.db2.gz KBGABUOGFVBGJK-SFHVURJKSA-N 2 2 330.476 1.429 40 0 EDABLP CNC(=O)c1cccc([C@@H]2CN(C3CC[NH+](C)CC3)CC[N@H+]2C)c1 ZINC000257254016 244274852 /nfs/dbraw/zinc/27/48/52/244274852.db2.gz KBGABUOGFVBGJK-SFHVURJKSA-N 2 2 330.476 1.429 40 0 EDABLP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)N1CC[NH+]1CCOCC1 ZINC000107198504 204226873 /nfs/dbraw/zinc/22/68/73/204226873.db2.gz DZSQHQJCMDKEMK-ZWKOTPCHSA-N 2 2 347.434 1.333 40 0 EDABLP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)N1CC[NH+]1CCOCC1 ZINC000107198504 204226879 /nfs/dbraw/zinc/22/68/79/204226879.db2.gz DZSQHQJCMDKEMK-ZWKOTPCHSA-N 2 2 347.434 1.333 40 0 EDABLP Cn1cc[nH+]c1CN1CC[C@]2(C1)COCC[N@H+](CC1CCOCC1)C2 ZINC000096062380 442010965 /nfs/dbraw/zinc/01/09/65/442010965.db2.gz OGDHHKOMVIKGIM-LJQANCHMSA-N 2 2 348.491 1.371 40 0 EDABLP Cn1cc[nH+]c1CN1CC[C@]2(C1)COCC[N@@H+](CC1CCOCC1)C2 ZINC000096062380 442010969 /nfs/dbraw/zinc/01/09/69/442010969.db2.gz OGDHHKOMVIKGIM-LJQANCHMSA-N 2 2 348.491 1.371 40 0 EDABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cscn2)C1 ZINC000096188314 442065630 /nfs/dbraw/zinc/06/56/30/442065630.db2.gz BVWMNALAGXDIIZ-CYBMUJFWSA-N 2 2 333.461 1.952 40 0 EDABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cscn2)C1 ZINC000096188314 442065638 /nfs/dbraw/zinc/06/56/38/442065638.db2.gz BVWMNALAGXDIIZ-CYBMUJFWSA-N 2 2 333.461 1.952 40 0 EDABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)nc[nH+]1 ZINC000248153162 442884487 /nfs/dbraw/zinc/88/44/87/442884487.db2.gz YHQCTANHABRTIE-OAHLLOKOSA-N 2 2 331.464 1.624 40 0 EDABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)[nH+]cn1 ZINC000248153162 442884491 /nfs/dbraw/zinc/88/44/91/442884491.db2.gz YHQCTANHABRTIE-OAHLLOKOSA-N 2 2 331.464 1.624 40 0 EDABLP O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257332232 443150550 /nfs/dbraw/zinc/15/05/50/443150550.db2.gz XWIGUZZASMGVTH-GOSISDBHSA-N 2 2 343.431 1.206 40 0 EDABLP Cn1c[nH+]cc1C[NH+]1CCC2(CO[C@H](Cc3cncnc3)C2)CC1 ZINC000257208012 244141311 /nfs/dbraw/zinc/14/13/11/244141311.db2.gz BKHLXZXVOWOCPB-QGZVFWFLSA-N 2 2 327.432 1.824 40 0 EDABLP Cc1cc(CC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000257269725 244372231 /nfs/dbraw/zinc/37/22/31/244372231.db2.gz MRCSTICSCMEUJR-UHFFFAOYSA-N 2 2 331.460 1.893 40 0 EDABLP C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3cncnc3)CC2)cn1 ZINC000257315218 443143757 /nfs/dbraw/zinc/14/37/57/443143757.db2.gz VAKQUOYZBVAXKP-UHFFFAOYSA-N 2 2 326.448 1.783 40 0 EDABLP Cn1cncc1C[N@@H+]1CC[C@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096219871 442092116 /nfs/dbraw/zinc/09/21/16/442092116.db2.gz GUCJFYMYHMPERK-HKUYNNGSSA-N 2 2 341.459 1.681 40 0 EDABLP Cn1cncc1C[N@H+]1CC[C@]2(C[C@H]([NH+](C)Cc3ccccn3)CO2)C1 ZINC000096219871 442092119 /nfs/dbraw/zinc/09/21/19/442092119.db2.gz GUCJFYMYHMPERK-HKUYNNGSSA-N 2 2 341.459 1.681 40 0 EDABLP Cn1cncc1C[NH+]1CC[C@]2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)C1 ZINC000096219871 442092123 /nfs/dbraw/zinc/09/21/23/442092123.db2.gz GUCJFYMYHMPERK-HKUYNNGSSA-N 2 2 341.459 1.681 40 0 EDABLP Cn1cncc1C[NH+]1CC[C@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096219871 442092124 /nfs/dbraw/zinc/09/21/24/442092124.db2.gz GUCJFYMYHMPERK-HKUYNNGSSA-N 2 2 341.459 1.681 40 0 EDABLP CCc1[nH]c(C[N@@H+]2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)c(C)[nH+]1 ZINC000257200212 443124532 /nfs/dbraw/zinc/12/45/32/443124532.db2.gz ACKSPULEEBOSMC-QILLFSRXSA-N 2 2 334.464 1.474 40 0 EDABLP CNc1cc(CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)cc[nH+]1 ZINC000257334715 443152168 /nfs/dbraw/zinc/15/21/68/443152168.db2.gz YHBVBHPALBUOIJ-INIZCTEOSA-N 2 2 343.431 1.570 40 0 EDABLP O=C(C[N@@H+]1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1)N1CCCC1 ZINC000306128435 444285830 /nfs/dbraw/zinc/28/58/30/444285830.db2.gz HAHDKQPVWUMAGX-ARFHVFGLSA-N 2 2 330.432 1.063 40 0 EDABLP O=C(C[N@H+]1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1)N1CCCC1 ZINC000306128435 444285831 /nfs/dbraw/zinc/28/58/31/444285831.db2.gz HAHDKQPVWUMAGX-ARFHVFGLSA-N 2 2 330.432 1.063 40 0 EDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096052078 442001334 /nfs/dbraw/zinc/00/13/34/442001334.db2.gz HDCCXLJQVUTURN-QZTJIDSGSA-N 2 2 328.416 1.586 40 0 EDABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)c[nH+]1 ZINC000096052078 442001337 /nfs/dbraw/zinc/00/13/37/442001337.db2.gz HDCCXLJQVUTURN-QZTJIDSGSA-N 2 2 328.416 1.586 40 0 EDABLP c1cc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC000096052368 442001750 /nfs/dbraw/zinc/00/17/50/442001750.db2.gz ZIUIARWBNQZANO-RTBURBONSA-N 2 2 347.459 1.164 40 0 EDABLP c1cc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)ccn1 ZINC000096052368 442001757 /nfs/dbraw/zinc/00/17/57/442001757.db2.gz ZIUIARWBNQZANO-RTBURBONSA-N 2 2 347.459 1.164 40 0 EDABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](Cc1ccncc1)C2 ZINC000096060872 442008746 /nfs/dbraw/zinc/00/87/46/442008746.db2.gz LNIGINRCULHNSV-MRXNPFEDSA-N 2 2 344.463 1.371 40 0 EDABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](Cc1ccncc1)C2 ZINC000096060872 442008749 /nfs/dbraw/zinc/00/87/49/442008749.db2.gz LNIGINRCULHNSV-MRXNPFEDSA-N 2 2 344.463 1.371 40 0 EDABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2ccccc2)C1 ZINC000096188241 442065812 /nfs/dbraw/zinc/06/58/12/442065812.db2.gz CIXUVXZXFZORTE-AWEZNQCLSA-N 2 2 334.445 1.265 40 0 EDABLP C[NH+](C)CCNc1nc(NCc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000328984493 444433970 /nfs/dbraw/zinc/43/39/70/444433970.db2.gz HNGLXEKGAYXMGH-UHFFFAOYSA-N 2 2 329.423 1.923 40 0 EDABLP Nc1cc(CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)cc[nH+]1 ZINC000257273172 244384453 /nfs/dbraw/zinc/38/44/53/244384453.db2.gz NFNQCJXERTWPIG-MRXNPFEDSA-N 2 2 343.431 1.501 40 0 EDABLP COc1cccc(C[N@@H+]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000019575602 212045835 /nfs/dbraw/zinc/04/58/35/212045835.db2.gz VUMFHXUOABZVQJ-HNNXBMFYSA-N 2 2 328.416 1.625 40 0 EDABLP COc1cccc(C[N@H+]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000019575602 212045842 /nfs/dbraw/zinc/04/58/42/212045842.db2.gz VUMFHXUOABZVQJ-HNNXBMFYSA-N 2 2 328.416 1.625 40 0 EDABLP O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)N1CC[NH+]1CCOCC1 ZINC000107198493 441403512 /nfs/dbraw/zinc/40/35/12/441403512.db2.gz BUNUOJJTVCNMQT-MSOLQXFVSA-N 2 2 329.444 1.194 40 0 EDABLP O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)N1CC[NH+]1CCOCC1 ZINC000107198493 441403516 /nfs/dbraw/zinc/40/35/16/441403516.db2.gz BUNUOJJTVCNMQT-MSOLQXFVSA-N 2 2 329.444 1.194 40 0 EDABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccoc3)O2)CC1 ZINC000096057502 442004306 /nfs/dbraw/zinc/00/43/06/442004306.db2.gz SDIOCCWGLSQNSK-BRWVUGGUSA-N 2 2 333.432 1.176 40 0 EDABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccoc3)O2)CC1 ZINC000096057502 442004309 /nfs/dbraw/zinc/00/43/09/442004309.db2.gz SDIOCCWGLSQNSK-BRWVUGGUSA-N 2 2 333.432 1.176 40 0 EDABLP O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1CC[NH+]1CCOCC1 ZINC000096183949 442057760 /nfs/dbraw/zinc/05/77/60/442057760.db2.gz JXKWAHLKVCOIOS-CVEARBPZSA-N 2 2 335.473 1.256 40 0 EDABLP O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1CC[NH+]1CCOCC1 ZINC000096183949 442057765 /nfs/dbraw/zinc/05/77/65/442057765.db2.gz JXKWAHLKVCOIOS-CVEARBPZSA-N 2 2 335.473 1.256 40 0 EDABLP C[N@H+](Cc1cn2c(n1)C[NH+](C1CCOCC1)CC2)Cc1cccnc1 ZINC000096197493 442071728 /nfs/dbraw/zinc/07/17/28/442071728.db2.gz BHCOXVRZAMFVJZ-UHFFFAOYSA-N 2 2 341.459 1.905 40 0 EDABLP C[N@@H+](Cc1cn2c(n1)C[NH+](C1CCOCC1)CC2)Cc1cccnc1 ZINC000096197493 442071735 /nfs/dbraw/zinc/07/17/35/442071735.db2.gz BHCOXVRZAMFVJZ-UHFFFAOYSA-N 2 2 341.459 1.905 40 0 EDABLP C[NH+](Cc1cn2c(n1)C[N@H+](C1CCOCC1)CC2)Cc1cccnc1 ZINC000096197493 442071740 /nfs/dbraw/zinc/07/17/40/442071740.db2.gz BHCOXVRZAMFVJZ-UHFFFAOYSA-N 2 2 341.459 1.905 40 0 EDABLP C[NH+](Cc1cn2c(n1)C[N@@H+](C1CCOCC1)CC2)Cc1cccnc1 ZINC000096197493 442071744 /nfs/dbraw/zinc/07/17/44/442071744.db2.gz BHCOXVRZAMFVJZ-UHFFFAOYSA-N 2 2 341.459 1.905 40 0 EDABLP Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000585275369 448719362 /nfs/dbraw/zinc/71/93/62/448719362.db2.gz DGFSNRGEIFNYLC-IBGZPJMESA-N 2 2 334.460 1.531 40 0 EDABLP Cc1ccccc1OC[C@@]1(O)COCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000585275369 448719365 /nfs/dbraw/zinc/71/93/65/448719365.db2.gz DGFSNRGEIFNYLC-IBGZPJMESA-N 2 2 334.460 1.531 40 0 EDABLP Cn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](Cc1ccsc1)C2 ZINC000096060658 442008240 /nfs/dbraw/zinc/00/82/40/442008240.db2.gz HFTIDMJCJDDHPU-CQSZACIVSA-N 2 2 335.477 1.554 40 0 EDABLP Cn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](Cc1ccsc1)C2 ZINC000096060658 442008247 /nfs/dbraw/zinc/00/82/47/442008247.db2.gz HFTIDMJCJDDHPU-CQSZACIVSA-N 2 2 335.477 1.554 40 0 EDABLP c1cn2c([nH+]1)CN(c1ncccn1)C[C@@H](COCC[NH+]1CCCC1)C2 ZINC000096066862 442014802 /nfs/dbraw/zinc/01/48/02/442014802.db2.gz SWMTXRRBYLUWHA-INIZCTEOSA-N 2 2 342.447 1.422 40 0 EDABLP O=C([C@H]1C[N@H+](CCc2ccccc2)Cc2c[nH+]cn21)N1CCCO1 ZINC000247858141 442870404 /nfs/dbraw/zinc/87/04/04/442870404.db2.gz LKPGLCXSMJYSNT-QGZVFWFLSA-N 2 2 326.400 1.646 40 0 EDABLP O=C([C@H]1C[N@@H+](CCc2ccccc2)Cc2c[nH+]cn21)N1CCCO1 ZINC000247858141 442870409 /nfs/dbraw/zinc/87/04/09/442870409.db2.gz LKPGLCXSMJYSNT-QGZVFWFLSA-N 2 2 326.400 1.646 40 0 EDABLP C[NH+](C)Cc1nccnc1C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000257272940 536063457 /nfs/dbraw/zinc/06/34/57/536063457.db2.gz NEMMRDCVRWUPBX-UHFFFAOYSA-N 2 2 345.491 1.730 40 0 EDABLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000023247905 212363998 /nfs/dbraw/zinc/36/39/98/212363998.db2.gz KENAASCJPVJENH-HNNXBMFYSA-N 2 2 343.427 1.873 40 0 EDABLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000023247905 212364001 /nfs/dbraw/zinc/36/40/01/212364001.db2.gz KENAASCJPVJENH-HNNXBMFYSA-N 2 2 343.427 1.873 40 0 EDABLP Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000019289969 212011859 /nfs/dbraw/zinc/01/18/59/212011859.db2.gz JEXGWMZVSHFIFY-UHFFFAOYSA-N 2 2 329.448 1.468 40 0 EDABLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC[NH+]2CCOCC2)o1 ZINC000096186316 442063178 /nfs/dbraw/zinc/06/31/78/442063178.db2.gz ZTXMIVIFCQEVAL-ROUUACIJSA-N 2 2 347.459 1.486 40 0 EDABLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC[NH+]2CCOCC2)o1 ZINC000096186316 442063184 /nfs/dbraw/zinc/06/31/84/442063184.db2.gz ZTXMIVIFCQEVAL-ROUUACIJSA-N 2 2 347.459 1.486 40 0 EDABLP Cc1cccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]1 ZINC000096255683 442105755 /nfs/dbraw/zinc/10/57/55/442105755.db2.gz MGDNPPGCCWUDBQ-UHFFFAOYSA-N 2 2 338.459 1.537 40 0 EDABLP CC[NH+]1CCC([N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585279312 448727785 /nfs/dbraw/zinc/72/77/85/448727785.db2.gz XVKLMCYQSHBVPI-IBGZPJMESA-N 2 2 334.460 1.613 40 0 EDABLP CC[NH+]1CCC([N@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585279312 448727791 /nfs/dbraw/zinc/72/77/91/448727791.db2.gz XVKLMCYQSHBVPI-IBGZPJMESA-N 2 2 334.460 1.613 40 0 EDABLP