smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN([C@H](CN)c3ccco3)CC2)cc1 ZINC000019795783 182151178 /nfs/dbraw/zinc/15/11/78/182151178.db2.gz KVLBJBLIMUFLET-MRXNPFEDSA-N 0 3 301.390 2.110 50 10 DECAHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1C ZINC000058267505 184096957 /nfs/dbraw/zinc/09/69/57/184096957.db2.gz NMZHRRPBBZFAGO-UHFFFAOYSA-N 0 3 302.418 2.500 50 10 DECAHN CN(C)c1ccc([C@H](CNC(=O)c2ccco2)N(C)C)cc1 ZINC000005097801 181203239 /nfs/dbraw/zinc/20/32/39/181203239.db2.gz NUXXSZWQOSZSDA-HNNXBMFYSA-N 0 3 301.390 2.378 50 10 DECAHN Cn1cc(Cn2ccnc2-c2ccc([O-])c(C[NH+](C)C)c2)cn1 ZINC000071498707 402274854 /nfs/dbraw/zinc/27/48/54/402274854.db2.gz GTYZXYWZHDBJGA-UHFFFAOYSA-N 0 3 311.389 2.099 50 10 DECAHN CN1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000071385435 539346325 /nfs/dbraw/zinc/34/63/25/539346325.db2.gz RZFCPUSJUVYNMY-UHFFFAOYSA-N 0 3 301.434 2.245 50 10 DECAHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cccnc3)cc2)C1 ZINC000054179194 402063765 /nfs/dbraw/zinc/06/37/65/402063765.db2.gz MTMBPNQFEVKYJI-KRWDZBQOSA-N 0 3 324.428 2.073 50 10 DECAHN c1nc2n(n1)C[C@@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000069600135 402233549 /nfs/dbraw/zinc/23/35/49/402233549.db2.gz FVUFOBSQYGAACV-INIZCTEOSA-N 0 3 311.433 2.373 50 10 DECAHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1C ZINC000048260304 424830995 /nfs/dbraw/zinc/83/09/95/424830995.db2.gz RGAQBVDELZXYGX-UHFFFAOYSA-N 0 3 302.418 2.500 50 10 DECAHN COC(=O)c1cc(CN[C@H](C)c2cc(OC)ccc2O)cn1C ZINC000408516964 533829149 /nfs/dbraw/zinc/82/91/49/533829149.db2.gz AUZBWPLJCYHZRO-LLVKDONJSA-N 0 3 318.373 2.377 50 10 DECAHN C[C@@H](NCc1cncn1C)c1ccc(N2CCOCC2)cc1 ZINC000237364836 202245107 /nfs/dbraw/zinc/24/51/07/202245107.db2.gz YBHUPJMXFNOFHB-CQSZACIVSA-N 0 3 300.406 2.108 50 10 DECAHN COc1ccc(N2CCCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC000065625977 184375430 /nfs/dbraw/zinc/37/54/30/184375430.db2.gz RHNZBOIBGDXXJU-UHFFFAOYSA-N 0 3 319.449 2.074 50 10 DECAHN CCOC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000534650513 334311693 /nfs/dbraw/zinc/31/16/93/334311693.db2.gz VAGPBJSMQZUPQR-OAHLLOKOSA-N 0 3 304.390 2.332 50 10 DECAHN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccccc1[O-] ZINC000156722296 197136117 /nfs/dbraw/zinc/13/61/17/197136117.db2.gz UUZHJPRHPAOBBY-GXTWGEPZSA-N 0 3 316.405 2.186 50 10 DECAHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000071825371 402283395 /nfs/dbraw/zinc/28/33/95/402283395.db2.gz MKQVMGRMYKPHTB-AWEZNQCLSA-N 0 3 313.449 2.321 50 10 DECAHN CCN(CC)c1ccc(CN2[C@@H]3CC[C@H]2CNC(=O)C3)cc1 ZINC000065506548 184356969 /nfs/dbraw/zinc/35/69/69/184356969.db2.gz OAKGONGKUWLYLU-SJORKVTESA-N 0 3 301.434 2.386 50 10 DECAHN CCOCc1cc(C[NH+]2CCN(C)CC2)c([O-])c2ncccc12 ZINC000021167846 182268118 /nfs/dbraw/zinc/26/81/18/182268118.db2.gz NOYJZIIMKZIQSO-UHFFFAOYSA-N 0 3 315.417 2.224 50 10 DECAHN CN1CCc2cc([C@H](CNC(=O)C3CC3)N3CCCC3)ccc21 ZINC000008963280 401758237 /nfs/dbraw/zinc/75/82/37/401758237.db2.gz OSLFOSSNWNAEKG-SFHVURJKSA-N 0 3 313.445 2.342 50 10 DECAHN CCOC(=O)[C@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000089983568 185274237 /nfs/dbraw/zinc/27/42/37/185274237.db2.gz CVGLKAHNDJUTCO-ZDUSSCGKSA-N 0 3 307.390 2.484 50 10 DECAHN CC(C)c1nnc2n1C[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000065473739 184351368 /nfs/dbraw/zinc/35/13/68/184351368.db2.gz VORQUCYYPFSHSE-OAHLLOKOSA-N 0 3 312.417 2.441 50 10 DECAHN CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1[O-] ZINC000157029759 197156415 /nfs/dbraw/zinc/15/64/15/197156415.db2.gz YRHARCRSXURZOW-DUVNUKRYSA-N 0 3 306.406 2.069 50 10 DECAHN CC[C@@H]([NH2+][C@H](CC)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000156281770 197100846 /nfs/dbraw/zinc/10/08/46/197100846.db2.gz PAMWLEVGISPLRR-HUUCEWRRSA-N 0 3 306.406 2.070 50 10 DECAHN CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)N(C)C)cc1 ZINC000005097800 181202930 /nfs/dbraw/zinc/20/29/30/181202930.db2.gz NUXXSZWQOSZSDA-OAHLLOKOSA-N 0 3 301.390 2.378 50 10 DECAHN CC(C)c1nc2n(n1)C[C@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069897625 402249469 /nfs/dbraw/zinc/24/94/69/402249469.db2.gz XAFPRBGKKDUYCY-OAHLLOKOSA-N 0 3 312.417 2.441 50 10 DECAHN CCOC(=O)[C@@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1 ZINC000089983566 185274590 /nfs/dbraw/zinc/27/45/90/185274590.db2.gz CVGLKAHNDJUTCO-CYBMUJFWSA-N 0 3 307.390 2.484 50 10 DECAHN CN1CCc2cc([C@@H](CNC(=O)C3CC3)N3CCCC3)ccc21 ZINC000008963279 401758293 /nfs/dbraw/zinc/75/82/93/401758293.db2.gz OSLFOSSNWNAEKG-GOSISDBHSA-N 0 3 313.445 2.342 50 10 DECAHN Cc1ccoc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000095971562 402038939 /nfs/dbraw/zinc/03/89/39/402038939.db2.gz VZVDSOYOASZEIO-UHFFFAOYSA-N 0 3 317.364 2.067 50 10 DECAHN CC(C)(C)[N-][N+](=O)C(Br)(Br)[N+](=O)[O-] ZINC000225429718 201707541 /nfs/dbraw/zinc/70/75/41/201707541.db2.gz APHQGPJIDTVHOI-UHFFFAOYSA-N 0 3 319.961 2.317 50 10 DECAHN CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000004516923 181118940 /nfs/dbraw/zinc/11/89/40/181118940.db2.gz LLLNKTBEFVCDFM-XNTDXEJSSA-N 0 3 310.357 2.402 50 10 DECAHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065463740 402125339 /nfs/dbraw/zinc/12/53/39/402125339.db2.gz BFRBWTPHYFTEQA-ZDUSSCGKSA-N 0 3 300.406 2.406 50 10 DECAHN COc1ccc(OC)c([C@H]2NCCc3cc(O)c(O)cc32)c1 ZINC000003727898 181044727 /nfs/dbraw/zinc/04/47/27/181044727.db2.gz PUSFFDXPAONMDW-KRWDZBQOSA-N 0 3 301.342 2.350 50 10 DECAHN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccccc1[O-] ZINC000156722029 197136108 /nfs/dbraw/zinc/13/61/08/197136108.db2.gz UUZHJPRHPAOBBY-TZMCWYRMSA-N 0 3 316.405 2.186 50 10 DECAHN C[C@@H](Cn1cccn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000069372213 402220799 /nfs/dbraw/zinc/22/07/99/402220799.db2.gz ADWKQBLANOPAPR-AWEZNQCLSA-N 0 3 318.396 2.037 50 10 DECAHN CC[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000156281426 197101320 /nfs/dbraw/zinc/10/13/20/197101320.db2.gz PAMWLEVGISPLRR-GJZGRUSLSA-N 0 3 306.406 2.070 50 10 DECAHN COc1ccc([C@@H]2NCCc3cc(O)c(O)cc32)cc1OC ZINC000003727929 181044730 /nfs/dbraw/zinc/04/47/30/181044730.db2.gz JROWMMCJPNPOEB-KRWDZBQOSA-N 0 3 301.342 2.350 50 10 biogenic DECAHN COc1cccc(CNC(=O)NCCN2CCCC[C@H]2C)c1O ZINC000071794526 402278071 /nfs/dbraw/zinc/27/80/71/402278071.db2.gz NDEIXTCIMOHIFV-CYBMUJFWSA-N 0 3 321.421 2.074 50 10 DECAHN CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1[O-] ZINC000248588722 402597372 /nfs/dbraw/zinc/59/73/72/402597372.db2.gz YRHARCRSXURZOW-INWMFGNUSA-N 0 3 306.406 2.069 50 10 DECAHN c1cnn(-c2ncccc2CNCc2ccc3c(c2)CCO3)c1 ZINC000044978971 424815336 /nfs/dbraw/zinc/81/53/36/424815336.db2.gz PSACWZNQBKCOIP-UHFFFAOYSA-N 0 3 306.369 2.492 50 10 DECAHN COc1ccc(OC)c([C@@H]2NCCc3cc(O)c(O)cc32)c1 ZINC000003727897 181044760 /nfs/dbraw/zinc/04/47/60/181044760.db2.gz PUSFFDXPAONMDW-QGZVFWFLSA-N 0 3 301.342 2.350 50 10 DECAHN CN(C)c1ccc(/C=C\C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000096248625 402074073 /nfs/dbraw/zinc/07/40/73/402074073.db2.gz ACLUFDJWNIZBLB-YFHOEESVSA-N 0 3 301.434 2.318 50 10 DECAHN O=C(NC1CC1)C1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000058343181 402100415 /nfs/dbraw/zinc/10/04/15/402100415.db2.gz NDPUKPWNSQPZIV-UHFFFAOYSA-N 0 3 314.429 2.372 50 10 DECAHN CCC[N@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000004987770 353993749 /nfs/dbraw/zinc/99/37/49/353993749.db2.gz GJPWXBVTQTZSIE-UHFFFAOYSA-N 0 3 318.211 2.368 50 10 DECAHN CCC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000004987770 353993750 /nfs/dbraw/zinc/99/37/50/353993750.db2.gz GJPWXBVTQTZSIE-UHFFFAOYSA-N 0 3 318.211 2.368 50 10 DECAHN COc1ccc(N2CCC(NCc3c[nH]nc3C)CC2)cc1 ZINC000078979904 185139390 /nfs/dbraw/zinc/13/93/90/185139390.db2.gz KSZJFHHWVUUNBZ-UHFFFAOYSA-N 0 3 300.406 2.485 50 10 DECAHN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1[O-] ZINC000248588725 402597641 /nfs/dbraw/zinc/59/76/41/402597641.db2.gz YRHARCRSXURZOW-NOLJZWGESA-N 0 3 306.406 2.069 50 10 DECAHN C[NH+](C)Cc1cc(-c2nccn2C[C@@H]2CCCO2)ccc1[O-] ZINC000082170913 185174389 /nfs/dbraw/zinc/17/43/89/185174389.db2.gz OJPAOBHWMWWESM-HNNXBMFYSA-N 0 3 301.390 2.496 50 10 DECAHN COc1ccc([C@H]2NCCc3cc(O)c(O)cc32)cc1OC ZINC000003727930 181044784 /nfs/dbraw/zinc/04/47/84/181044784.db2.gz JROWMMCJPNPOEB-QGZVFWFLSA-N 0 3 301.342 2.350 50 10 biogenic DECAHN CC(C)c1nnc2n1C[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000065473741 184351323 /nfs/dbraw/zinc/35/13/23/184351323.db2.gz VORQUCYYPFSHSE-HNNXBMFYSA-N 0 3 312.417 2.441 50 10 DECAHN CC[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])C(=O)N1CCOCC1 ZINC000156281656 197101377 /nfs/dbraw/zinc/10/13/77/197101377.db2.gz PAMWLEVGISPLRR-LSDHHAIUSA-N 0 3 306.406 2.070 50 10 DECAHN CN(C)c1ccc(/C=C/C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000069417024 402222139 /nfs/dbraw/zinc/22/21/39/402222139.db2.gz ACLUFDJWNIZBLB-JXMROGBWSA-N 0 3 301.434 2.318 50 10 DECAHN O=C(NCC1CC1)C1([NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000154569572 355942886 /nfs/dbraw/zinc/94/28/86/355942886.db2.gz RIKNUVYGKIAGIQ-UHFFFAOYSA-N 0 3 306.381 2.460 50 10 DECAHN CN1CCO[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000075584174 355095102 /nfs/dbraw/zinc/09/51/02/355095102.db2.gz FWOUSJHFVVPUNY-GOSISDBHSA-N 0 3 303.450 2.097 50 10 DECAHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cccnc3)cc2)C1 ZINC000054179196 402063817 /nfs/dbraw/zinc/06/38/17/402063817.db2.gz MTMBPNQFEVKYJI-QGZVFWFLSA-N 0 3 324.428 2.073 50 10 DECAHN C[C@H](Cn1cccn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000069372218 402220660 /nfs/dbraw/zinc/22/06/60/402220660.db2.gz ADWKQBLANOPAPR-CQSZACIVSA-N 0 3 318.396 2.037 50 10 DECAHN C[NH+](C)Cc1cc(-c2nccn2CCn2cccn2)ccc1[O-] ZINC000071752544 191023524 /nfs/dbraw/zinc/02/35/24/191023524.db2.gz OVKVNDKBLWGPOE-UHFFFAOYSA-N 0 3 311.389 2.214 50 10 DECAHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1ccsc1 ZINC000195542859 356256232 /nfs/dbraw/zinc/25/62/32/356256232.db2.gz SYEXDXSIVCEYNR-UHFFFAOYSA-N 0 3 319.405 2.227 50 10 DECAHN CC[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1[O-] ZINC000157030056 197156847 /nfs/dbraw/zinc/15/68/47/197156847.db2.gz YRHARCRSXURZOW-IVMMDQJWSA-N 0 3 306.406 2.069 50 10 DECAHN Cc1ccc(C)n1-c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000003893953 401724757 /nfs/dbraw/zinc/72/47/57/401724757.db2.gz NNIMUEKQBANQMW-UHFFFAOYSA-N 0 3 300.362 2.412 50 10 DECAHN CCOCCCNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000004672314 181134790 /nfs/dbraw/zinc/13/47/90/181134790.db2.gz MAEXQDXTYQFIDU-UHFFFAOYSA-N 0 3 320.433 2.147 50 10 DECAHN c1nc2n(n1)C[C@H](NCc1ccc(N3CCCCC3)cc1)CC2 ZINC000069600132 402233560 /nfs/dbraw/zinc/23/35/60/402233560.db2.gz FVUFOBSQYGAACV-MRXNPFEDSA-N 0 3 311.433 2.373 50 10 DECAHN COc1ccc(N2CCC(N(C)[C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC000065531363 274113257 /nfs/dbraw/zinc/11/32/57/274113257.db2.gz OMLXJDKUADOWAB-AWEZNQCLSA-N 0 3 319.449 2.073 50 10 DECAHN COC(=O)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)cn1C ZINC000408516965 533825406 /nfs/dbraw/zinc/82/54/06/533825406.db2.gz AUZBWPLJCYHZRO-NSHDSACASA-N 0 3 318.373 2.377 50 10 DECAHN CC(C)c1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CCO3)CC2 ZINC000069897629 402249876 /nfs/dbraw/zinc/24/98/76/402249876.db2.gz XAFPRBGKKDUYCY-HNNXBMFYSA-N 0 3 312.417 2.441 50 10 DECAHN CN(Cc1ccccc1O)C(=O)NC1CCN(C2CC2)CC1 ZINC000045410044 401957284 /nfs/dbraw/zinc/95/72/84/401957284.db2.gz WWEJHGSTUUNRGS-UHFFFAOYSA-N 0 3 303.406 2.160 50 10 DECAHN CC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1ccccc1[O-] ZINC000156281545 402279534 /nfs/dbraw/zinc/27/95/34/402279534.db2.gz PAMWLEVGISPLRR-CABCVRRESA-N 0 3 306.406 2.070 50 10 DECAHN CCOC(=O)N1CC[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000534650512 334311733 /nfs/dbraw/zinc/31/17/33/334311733.db2.gz VAGPBJSMQZUPQR-HNNXBMFYSA-N 0 3 304.390 2.332 50 10 DECAHN COc1cccc(CNC(=O)NCCN2CCCC[C@@H]2C)c1O ZINC000071794527 402278063 /nfs/dbraw/zinc/27/80/63/402278063.db2.gz NDEIXTCIMOHIFV-ZDUSSCGKSA-N 0 3 321.421 2.074 50 10 DECAHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccncc3)cc2)C1 ZINC000071817038 402280511 /nfs/dbraw/zinc/28/05/11/402280511.db2.gz MGWSVXDIABYIIU-QGZVFWFLSA-N 0 3 324.428 2.073 50 10 DECAHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(N)=O)CC3)c2c1 ZINC000023381983 182359531 /nfs/dbraw/zinc/35/95/31/182359531.db2.gz GIGGXJMCDSXYOR-UHFFFAOYSA-N 0 3 314.385 2.251 50 10 DECAHN C[C@H](NCc1cncn1C)c1ccc(N2CCOCC2)cc1 ZINC000237519668 202269326 /nfs/dbraw/zinc/26/93/26/202269326.db2.gz YBHUPJMXFNOFHB-AWEZNQCLSA-N 0 3 300.406 2.108 50 10 DECAHN CCOc1cccc(C[NH2+]CCC(=O)NC2CCCC2)c1[O-] ZINC000075126687 401750423 /nfs/dbraw/zinc/75/04/23/401750423.db2.gz IZJANHIRMNVSBW-UHFFFAOYSA-N 0 3 306.406 2.329 50 10 DECAHN Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065463743 402125729 /nfs/dbraw/zinc/12/57/29/402125729.db2.gz BFRBWTPHYFTEQA-CYBMUJFWSA-N 0 3 300.406 2.406 50 10 DECAHN COc1ccc(N2CCC(N(C)[C@H](C)C(=O)N(C)C)CC2)cc1 ZINC000065531365 624807483 /nfs/dbraw/zinc/80/74/83/624807483.db2.gz OMLXJDKUADOWAB-CQSZACIVSA-N 0 3 319.449 2.073 50 10 DECAHN Cc1n[nH]cc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000097160016 355702379 /nfs/dbraw/zinc/70/23/79/355702379.db2.gz JXLLXMGPWSYDTG-UHFFFAOYSA-N 0 3 314.433 2.217 50 10 DECAHN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccccc1[O-] ZINC000156722172 197135997 /nfs/dbraw/zinc/13/59/97/197135997.db2.gz UUZHJPRHPAOBBY-JSGCOSHPSA-N 0 3 316.405 2.186 50 10 DECAHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccncc3)cc2)C1 ZINC000071817037 402280521 /nfs/dbraw/zinc/28/05/21/402280521.db2.gz MGWSVXDIABYIIU-KRWDZBQOSA-N 0 3 324.428 2.073 50 10 DECAHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@@H]3C(N)=O)c2c1 ZINC000009913895 401766883 /nfs/dbraw/zinc/76/68/83/401766883.db2.gz OHJSCHWDBKYKJT-MRXNPFEDSA-N 0 3 314.385 2.394 50 10 DECAHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@@H]3C(N)=O)c2c1 ZINC000009913895 401766886 /nfs/dbraw/zinc/76/68/86/401766886.db2.gz OHJSCHWDBKYKJT-MRXNPFEDSA-N 0 3 314.385 2.394 50 10 DECAHN O=C1COc2ccc(N3CCNCC3)cc2N1Cc1ccccc1 ZINC000031947243 134680152 /nfs/dbraw/zinc/68/01/52/134680152.db2.gz CEIPWBVUXKCWEX-UHFFFAOYSA-N 0 3 323.396 2.022 50 10 DECAHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@H]3C(N)=O)c2c1 ZINC000009913899 401766743 /nfs/dbraw/zinc/76/67/43/401766743.db2.gz OHJSCHWDBKYKJT-INIZCTEOSA-N 0 3 314.385 2.394 50 10 DECAHN COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@H]3C(N)=O)c2c1 ZINC000009913899 401766744 /nfs/dbraw/zinc/76/67/44/401766744.db2.gz OHJSCHWDBKYKJT-INIZCTEOSA-N 0 3 314.385 2.394 50 10 DECAHN COc1ccc(N2CCN([C@@H](CN)c3ccco3)CC2)cc1 ZINC000019795781 182150865 /nfs/dbraw/zinc/15/08/65/182150865.db2.gz KVLBJBLIMUFLET-INIZCTEOSA-N 0 3 301.390 2.110 50 10 DECAHN Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000071825372 402283556 /nfs/dbraw/zinc/28/35/56/402283556.db2.gz MKQVMGRMYKPHTB-CQSZACIVSA-N 0 3 313.449 2.321 50 10 DECAHN COc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1[O-] ZINC000004552926 181124184 /nfs/dbraw/zinc/12/41/84/181124184.db2.gz QJMGEFNQGMGZHF-UHFFFAOYSA-N 0 3 318.417 2.235 50 10 DECAHN CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccccc1[O-] ZINC000156721888 197135814 /nfs/dbraw/zinc/13/58/14/197135814.db2.gz UUZHJPRHPAOBBY-OCCSQVGLSA-N 0 3 316.405 2.186 50 10 DECAHN c1cn(-c2ncccc2CNCc2ccc3c(c2)CCO3)cn1 ZINC000048234823 424831044 /nfs/dbraw/zinc/83/10/44/424831044.db2.gz QJKDMLSZNJOVRI-UHFFFAOYSA-N 0 3 306.369 2.492 50 10 DECAHN CC(C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000009420693 401762400 /nfs/dbraw/zinc/76/24/00/401762400.db2.gz CCURTYISGQJEOS-UHFFFAOYSA-N 0 3 322.364 2.399 50 10 DECAHN CN1CCO[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000075584175 355094881 /nfs/dbraw/zinc/09/48/81/355094881.db2.gz FWOUSJHFVVPUNY-SFHVURJKSA-N 0 3 303.450 2.097 50 10 DECAHN CC1=NN(c2ccccc2)C(=O)C1=CNN=c1nc(C)cc(C)[nH]1 ZINC000334160281 257262551 /nfs/dbraw/zinc/26/25/51/257262551.db2.gz AAXZOGFEXYWGHK-GDNBJRDFSA-N 0 3 322.372 2.317 50 10 DECAHN COc1cccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1[O-] ZINC000004725472 181142965 /nfs/dbraw/zinc/14/29/65/181142965.db2.gz DJBVMZPWACJAIA-UHFFFAOYSA-N 0 3 306.406 2.137 50 10 DECAHN