smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](C[C@@H]1CCOC1)CC(C)(C)CN1CCCC1 ZINC000823680623 810624654 /nfs/dbraw/zinc/62/46/54/810624654.db2.gz RBHSFDYIJQKHRF-AWEZNQCLSA-N 1 3 254.418 2.077 50 0 CEAAHO C[N@H+](C[C@@H]1CCOC1)CC(C)(C)CN1CCCC1 ZINC000823680623 810624651 /nfs/dbraw/zinc/62/46/51/810624651.db2.gz RBHSFDYIJQKHRF-AWEZNQCLSA-N 1 3 254.418 2.077 50 0 CEAAHO OCCN1CCC(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000069415274 362965967 /nfs/dbraw/zinc/96/59/67/362965967.db2.gz ZFWZUHFNMLPDLT-UHFFFAOYSA-N 1 3 288.391 2.227 50 0 CEAAHO [NH3+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000019407964 361532067 /nfs/dbraw/zinc/53/20/67/361532067.db2.gz ZZHCKLZZRXPGSD-UHFFFAOYSA-N 1 3 281.403 2.468 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000195554709 370140707 /nfs/dbraw/zinc/14/07/07/370140707.db2.gz DYXVTFWYPQIOSV-INIZCTEOSA-N 1 3 295.471 2.084 50 0 CEAAHO CC(C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000079092806 394629709 /nfs/dbraw/zinc/62/97/09/394629709.db2.gz MCGXQCOGJLBSMY-GJZGRUSLSA-N 1 3 297.487 2.199 50 0 CEAAHO CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000079092806 394629712 /nfs/dbraw/zinc/62/97/12/394629712.db2.gz MCGXQCOGJLBSMY-GJZGRUSLSA-N 1 3 297.487 2.199 50 0 CEAAHO C[NH+]1CCC(NCc2ccccc2-n2cccn2)CC1 ZINC000040495418 174294489 /nfs/dbraw/zinc/29/44/89/174294489.db2.gz USCVDDIQKLQCHR-UHFFFAOYSA-N 1 3 270.380 2.056 50 0 CEAAHO C[C@H]1CCCN(CCN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000229401542 278342068 /nfs/dbraw/zinc/34/20/68/278342068.db2.gz YIAUBGKYDGDXLN-DLBZAZTESA-N 1 3 279.472 2.279 50 0 CEAAHO CC(C)(O)[C@@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000822293569 810580600 /nfs/dbraw/zinc/58/06/00/810580600.db2.gz KZQKZCRFJVVJDJ-GFCCVEGCSA-N 1 3 268.445 2.388 50 0 CEAAHO CC(C)(O)[C@@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000822293569 810580606 /nfs/dbraw/zinc/58/06/06/810580606.db2.gz KZQKZCRFJVVJDJ-GFCCVEGCSA-N 1 3 268.445 2.388 50 0 CEAAHO Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)cc[nH+]1 ZINC000292784448 377280236 /nfs/dbraw/zinc/28/02/36/377280236.db2.gz LZSSCIJOESEJKY-GOSISDBHSA-N 1 3 297.402 2.221 50 0 CEAAHO CN(CCc1cnn(C)c1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072146406 176324894 /nfs/dbraw/zinc/32/48/94/176324894.db2.gz CKZIRICWUSPULZ-DLBZAZTESA-N 1 3 290.455 2.159 50 0 CEAAHO CN(CCc1cnn(C)c1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072146406 176324896 /nfs/dbraw/zinc/32/48/96/176324896.db2.gz CKZIRICWUSPULZ-DLBZAZTESA-N 1 3 290.455 2.159 50 0 CEAAHO CC[NH+](CC)C[C@@H]1CCCN1C(=O)[C@H]1CCCCCN1C ZINC000019147692 361521257 /nfs/dbraw/zinc/52/12/57/361521257.db2.gz PASKCXXWPATECB-JKSUJKDBSA-N 1 3 295.471 2.194 50 0 CEAAHO CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@@H+]2CCN)cc1 ZINC000097463407 364504800 /nfs/dbraw/zinc/50/48/00/364504800.db2.gz LIYIADSINKUERW-OJXHRBAXSA-N 1 3 288.391 2.359 50 0 CEAAHO CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@H+]2CCN)cc1 ZINC000097463407 364504805 /nfs/dbraw/zinc/50/48/05/364504805.db2.gz LIYIADSINKUERW-OJXHRBAXSA-N 1 3 288.391 2.359 50 0 CEAAHO c1nn([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934602 371776831 /nfs/dbraw/zinc/77/68/31/371776831.db2.gz LWXZNQOUNMFKNE-ZBFHGGJFSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c2ccccc12 ZINC000261934602 371776841 /nfs/dbraw/zinc/77/68/41/371776841.db2.gz LWXZNQOUNMFKNE-ZBFHGGJFSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c2ccccc12 ZINC000261934602 371776849 /nfs/dbraw/zinc/77/68/49/371776849.db2.gz LWXZNQOUNMFKNE-ZBFHGGJFSA-N 1 3 284.407 2.283 50 0 CEAAHO Cc1nc(N)cc(N2CCC3(CC2)CCC[N@@H+](C)CC3)n1 ZINC000091390818 135068385 /nfs/dbraw/zinc/06/83/85/135068385.db2.gz JRJFBQYLNCOSFP-UHFFFAOYSA-N 1 3 289.427 2.070 50 0 CEAAHO Cc1nc(N)cc(N2CCC3(CC2)CCC[N@H+](C)CC3)n1 ZINC000091390818 135068387 /nfs/dbraw/zinc/06/83/87/135068387.db2.gz JRJFBQYLNCOSFP-UHFFFAOYSA-N 1 3 289.427 2.070 50 0 CEAAHO C[C@@H](O)C[NH+]1CCC(CNCc2c(F)cccc2F)CC1 ZINC000069347484 175823775 /nfs/dbraw/zinc/82/37/75/175823775.db2.gz WDWGTCLZJTVRMR-GFCCVEGCSA-N 1 3 298.377 2.147 50 0 CEAAHO CN(Cc1cccc2cnccc21)C[C@H]1CC[NH2+]C1 ZINC000072149533 176326782 /nfs/dbraw/zinc/32/67/82/176326782.db2.gz NRVFOUWEMDKYFV-ZDUSSCGKSA-N 1 3 255.365 2.276 50 0 CEAAHO C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000230463343 344572784 /nfs/dbraw/zinc/57/27/84/344572784.db2.gz JTPIPHFYWWHHNE-LEUOFYLZSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)C(C)(C)C ZINC000095967717 299292567 /nfs/dbraw/zinc/29/25/67/299292567.db2.gz JAVXZACNEAHNIN-AWEZNQCLSA-N 1 3 255.450 2.038 50 0 CEAAHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196884 361305439 /nfs/dbraw/zinc/30/54/39/361305439.db2.gz RSTSMVMSMDWOHJ-MBNYWOFBSA-N 1 3 276.380 2.234 50 0 CEAAHO CCN1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)[C@H](C)C1 ZINC000245339327 370808717 /nfs/dbraw/zinc/80/87/17/370808717.db2.gz SARVBRDOJFVVRO-ZCRFILTFSA-N 1 3 279.472 2.322 50 0 CEAAHO Cc1nc2ccccc2c(N2CCC([NH2+]CCO)CC2)c1C ZINC000291024833 377037691 /nfs/dbraw/zinc/03/76/91/377037691.db2.gz YDKWKWFJGMQFLB-UHFFFAOYSA-N 1 3 299.418 2.402 50 0 CEAAHO c1cc(CN2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000521396539 395255014 /nfs/dbraw/zinc/25/50/14/395255014.db2.gz WJTXYELWEXJBGF-UHFFFAOYSA-N 1 3 268.364 2.189 50 0 CEAAHO C[C@H](C1CCN(Cc2cnn(C)c2C2CC2)CC1)[NH+](C)C ZINC000077536003 177278861 /nfs/dbraw/zinc/27/88/61/177278861.db2.gz GSGMLUOGPZQBKQ-CYBMUJFWSA-N 1 3 290.455 2.460 50 0 CEAAHO C(CSCC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000096484375 527488025 /nfs/dbraw/zinc/48/80/25/527488025.db2.gz OTEMDEPVMCXJMY-KGLIPLIRSA-N 1 3 254.443 2.346 50 0 CEAAHO C(CSCC1CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000096484375 527488031 /nfs/dbraw/zinc/48/80/31/527488031.db2.gz OTEMDEPVMCXJMY-KGLIPLIRSA-N 1 3 254.443 2.346 50 0 CEAAHO Cc1nc(CC[NH3+])cc(N[C@H](CN(C)C)c2ccccc2)n1 ZINC000067514398 362910262 /nfs/dbraw/zinc/91/02/62/362910262.db2.gz QPZUDFQBXHKRCE-MRXNPFEDSA-N 1 3 299.422 2.001 50 0 CEAAHO c1ccc(Oc2cnccc2N2CC[NH2+]CC2)cc1 ZINC000071771801 363112612 /nfs/dbraw/zinc/11/26/12/363112612.db2.gz OUTXMSVYLCVSKL-UHFFFAOYSA-N 1 3 255.321 2.284 50 0 CEAAHO Cc1cc(OCCCNCC[NH3+])cc(C(C)C)c1 ZINC000020117970 361580967 /nfs/dbraw/zinc/58/09/67/361580967.db2.gz BCBVNLSPTBKHAQ-UHFFFAOYSA-N 1 3 250.386 2.436 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000195548958 370140917 /nfs/dbraw/zinc/14/09/17/370140917.db2.gz PBRCDWOEHACFRP-XOSAIJSUSA-N 1 3 276.424 2.347 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000195548958 370140921 /nfs/dbraw/zinc/14/09/21/370140921.db2.gz PBRCDWOEHACFRP-XOSAIJSUSA-N 1 3 276.424 2.347 50 0 CEAAHO C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000252587017 371458032 /nfs/dbraw/zinc/45/80/32/371458032.db2.gz VDCSGLCDMSBNDG-VDHUWJSZSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252587017 371458034 /nfs/dbraw/zinc/45/80/34/371458034.db2.gz VDCSGLCDMSBNDG-VDHUWJSZSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252587017 371458035 /nfs/dbraw/zinc/45/80/35/371458035.db2.gz VDCSGLCDMSBNDG-VDHUWJSZSA-N 1 3 288.435 2.258 50 0 CEAAHO CC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000253425945 371521674 /nfs/dbraw/zinc/52/16/74/371521674.db2.gz KAJQQNXRRCMHNG-CYBMUJFWSA-N 1 3 254.418 2.144 50 0 CEAAHO CC[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000253425945 371521678 /nfs/dbraw/zinc/52/16/78/371521678.db2.gz KAJQQNXRRCMHNG-CYBMUJFWSA-N 1 3 254.418 2.144 50 0 CEAAHO CC(C)OCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261727500 394606575 /nfs/dbraw/zinc/60/65/75/394606575.db2.gz LQTIKERTZIJFND-CVEARBPZSA-N 1 3 262.397 2.086 50 0 CEAAHO Cc1ncsc1CN[C@H]1CC2(CC[NH+](C)CC2)O[C@H]1C ZINC000585135040 345006656 /nfs/dbraw/zinc/00/66/56/345006656.db2.gz UYDQCJIIQKAFLO-STQMWFEESA-N 1 3 295.452 2.183 50 0 CEAAHO CC(C)CCN1CCN(CC[NH+]2CCCCC2)CC1 ZINC000069743779 362997276 /nfs/dbraw/zinc/99/72/76/362997276.db2.gz REELMBXAJUCCKZ-UHFFFAOYSA-N 1 3 267.461 2.136 50 0 CEAAHO COCC[N@@H+]1CC[C@@H](CN(C)CC2=CCCCC2)C1 ZINC000670451313 540414993 /nfs/dbraw/zinc/41/49/93/540414993.db2.gz XKMUPAPPQUPUAZ-INIZCTEOSA-N 1 3 266.429 2.387 50 0 CEAAHO COCC[N@H+]1CC[C@@H](CN(C)CC2=CCCCC2)C1 ZINC000670451313 540414995 /nfs/dbraw/zinc/41/49/95/540414995.db2.gz XKMUPAPPQUPUAZ-INIZCTEOSA-N 1 3 266.429 2.387 50 0 CEAAHO C[NH2+]CC1CCN(CCc2cccc(F)c2)CC1 ZINC000014628697 361458738 /nfs/dbraw/zinc/45/87/38/361458738.db2.gz KEYXGSGLRTYLPN-UHFFFAOYSA-N 1 3 250.361 2.300 50 0 CEAAHO CC[NH+](CC)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCCN1C ZINC000019147686 361521427 /nfs/dbraw/zinc/52/14/27/361521427.db2.gz PASKCXXWPATECB-HOTGVXAUSA-N 1 3 295.471 2.194 50 0 CEAAHO CC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000188665214 369390962 /nfs/dbraw/zinc/39/09/62/369390962.db2.gz KAJQQNXRRCMHNG-ZDUSSCGKSA-N 1 3 254.418 2.144 50 0 CEAAHO CC[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000188665214 369390969 /nfs/dbraw/zinc/39/09/69/369390969.db2.gz KAJQQNXRRCMHNG-ZDUSSCGKSA-N 1 3 254.418 2.144 50 0 CEAAHO Fc1ccc(C[C@H]2CN(CC3CC[NH2+]CC3)CCO2)cc1 ZINC000071721689 176252740 /nfs/dbraw/zinc/25/27/40/176252740.db2.gz BYBNJERFQJJPNS-KRWDZBQOSA-N 1 3 292.398 2.069 50 0 CEAAHO Cc1ncc(CN2CCCC3(CC[NH2+]CC3)CC2)cn1 ZINC000426411581 804817654 /nfs/dbraw/zinc/81/76/54/804817654.db2.gz WLFRHHZYDNTSPJ-UHFFFAOYSA-N 1 3 274.412 2.141 50 0 CEAAHO c1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000042783364 362119604 /nfs/dbraw/zinc/11/96/04/362119604.db2.gz XWIQHTIHDQPJPK-QGZVFWFLSA-N 1 3 287.451 2.194 50 0 CEAAHO CC(C)[NH+]1CCC(N[C@@H](C)[C@H](O)Cc2ccccc2)CC1 ZINC000170593826 344485271 /nfs/dbraw/zinc/48/52/71/344485271.db2.gz QVPSOPALWDXYMD-MAUKXSAKSA-N 1 3 290.451 2.441 50 0 CEAAHO CCN(Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](C)C1 ZINC000065376130 362813012 /nfs/dbraw/zinc/81/30/12/362813012.db2.gz ABIUMVGXFXIFEG-OAHLLOKOSA-N 1 3 274.408 2.395 50 0 CEAAHO CCN(Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](C)C1 ZINC000065376130 362813015 /nfs/dbraw/zinc/81/30/15/362813015.db2.gz ABIUMVGXFXIFEG-OAHLLOKOSA-N 1 3 274.408 2.395 50 0 CEAAHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2F)CC1 ZINC000069901488 363013147 /nfs/dbraw/zinc/01/31/47/363013147.db2.gz WNDMFPGSKFEBGQ-CQSZACIVSA-N 1 3 294.414 2.350 50 0 CEAAHO Cc1cccc2c1ncc(C)c2N1CCC([NH2+]CCO)CC1 ZINC000290967648 377007332 /nfs/dbraw/zinc/00/73/32/377007332.db2.gz PJWHGHXMEBMTFF-UHFFFAOYSA-N 1 3 299.418 2.402 50 0 CEAAHO CC/C=C\CCC[NH+]1CCC(Cn2cc(CN)nn2)CC1 ZINC000023128642 624736737 /nfs/dbraw/zinc/73/67/37/624736737.db2.gz STMRQRBEMJDXMB-ARJAWSKDSA-N 1 3 291.443 2.195 50 0 CEAAHO C[C@@H](C1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000077302601 813843166 /nfs/dbraw/zinc/84/31/66/813843166.db2.gz HPZADNGWTHYSHT-AWEZNQCLSA-N 1 3 275.396 2.019 50 0 CEAAHO Cc1c[nH+]ccc1N1CCN([C@@H](C)CCn2cccn2)CC1 ZINC000670473445 540429943 /nfs/dbraw/zinc/42/99/43/540429943.db2.gz YHOZYLANWUDTEL-INIZCTEOSA-N 1 3 299.422 2.187 50 0 CEAAHO COCC[N@H+](C)CCCNCc1cccc(C)c1 ZINC000097287844 364489540 /nfs/dbraw/zinc/48/95/40/364489540.db2.gz MRCNWJXLUJNCQR-UHFFFAOYSA-N 1 3 250.386 2.053 50 0 CEAAHO COCC[N@@H+](C)CCCNCc1cccc(C)c1 ZINC000097287844 364489548 /nfs/dbraw/zinc/48/95/48/364489548.db2.gz MRCNWJXLUJNCQR-UHFFFAOYSA-N 1 3 250.386 2.053 50 0 CEAAHO Fc1ccc(N2CCC([N@@H+]3CCCNCC3)CC2)cc1F ZINC000426652019 377427636 /nfs/dbraw/zinc/42/76/36/377427636.db2.gz RDBKNXPWJTVNJO-UHFFFAOYSA-N 1 3 295.377 2.229 50 0 CEAAHO Fc1ccc(N2CCC([N@H+]3CCCNCC3)CC2)cc1F ZINC000426652019 377427644 /nfs/dbraw/zinc/42/76/44/377427644.db2.gz RDBKNXPWJTVNJO-UHFFFAOYSA-N 1 3 295.377 2.229 50 0 CEAAHO COc1cc(Cl)cc(CNCC2CC[NH2+]CC2)c1OC ZINC000040719429 174385612 /nfs/dbraw/zinc/38/56/12/174385612.db2.gz ILMIKRSWLQRMCB-UHFFFAOYSA-N 1 3 298.814 2.446 50 0 CEAAHO Cc1cc(NCC2([NH+](C)C)CCCCC2)nc(N)n1 ZINC000043532641 175062299 /nfs/dbraw/zinc/06/22/99/175062299.db2.gz DXNASONHYOCIII-UHFFFAOYSA-N 1 3 263.389 2.044 50 0 CEAAHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN([C@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426667663 295326591 /nfs/dbraw/zinc/32/65/91/295326591.db2.gz VEJVGFSTGPLBSX-RMHZUWNSSA-N 1 3 289.398 2.074 50 0 CEAAHO C([NH2+][C@H]1CCCSC1)C1(CN2CCCC2)CC1 ZINC000534644156 328330142 /nfs/dbraw/zinc/33/01/42/328330142.db2.gz UIPSOIWALDWIPV-ZDUSSCGKSA-N 1 3 254.443 2.348 50 0 CEAAHO C(N[C@H]1CCCSC1)C1(C[NH+]2CCCC2)CC1 ZINC000534644156 328330144 /nfs/dbraw/zinc/33/01/44/328330144.db2.gz UIPSOIWALDWIPV-ZDUSSCGKSA-N 1 3 254.443 2.348 50 0 CEAAHO CCCn1cnnc1CNC1CCC2(CC[NH2+]CC2)CC1 ZINC000067472804 362908381 /nfs/dbraw/zinc/90/83/81/362908381.db2.gz GIBMSZTZJYWNHN-UHFFFAOYSA-N 1 3 291.443 2.090 50 0 CEAAHO [NH3+]C1CCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095498337 283415079 /nfs/dbraw/zinc/41/50/79/283415079.db2.gz LDDMAORJKSLRAP-ZDUSSCGKSA-N 1 3 260.381 2.051 50 0 CEAAHO CCCc1cc(CN(C)C[C@H]2CC[C@@H]([NH3+])CC2)[nH]n1 ZINC000244778581 370799593 /nfs/dbraw/zinc/79/95/93/370799593.db2.gz PTEZFAJDNABAPL-BETUJISGSA-N 1 3 264.417 2.312 50 0 CEAAHO CCCc1cc(CN(C)C[C@H]2CC[C@@H]([NH3+])CC2)n[nH]1 ZINC000244778581 370799599 /nfs/dbraw/zinc/79/95/99/370799599.db2.gz PTEZFAJDNABAPL-BETUJISGSA-N 1 3 264.417 2.312 50 0 CEAAHO Cc1cc(NC[C@H](O)CN2CCc3ccccc3C2)cc[nH+]1 ZINC000302294817 379351219 /nfs/dbraw/zinc/35/12/19/379351219.db2.gz LZSSCIJOESEJKY-SFHVURJKSA-N 1 3 297.402 2.221 50 0 CEAAHO CC[C@H]1CN(Cc2ccc(CC[NH3+])cc2)CCN1C(C)C ZINC000072158423 176329542 /nfs/dbraw/zinc/32/95/42/176329542.db2.gz VGSCINGIXQKXQA-SFHVURJKSA-N 1 3 289.467 2.492 50 0 CEAAHO C([NH2+][C@@H]1CCCSC1)C1(CN2CCCC2)CC1 ZINC000534644155 328329882 /nfs/dbraw/zinc/32/98/82/328329882.db2.gz UIPSOIWALDWIPV-CYBMUJFWSA-N 1 3 254.443 2.348 50 0 CEAAHO C(N[C@@H]1CCCSC1)C1(C[NH+]2CCCC2)CC1 ZINC000534644155 328329884 /nfs/dbraw/zinc/32/98/84/328329884.db2.gz UIPSOIWALDWIPV-CYBMUJFWSA-N 1 3 254.443 2.348 50 0 CEAAHO Cc1cc(C)n(-c2ccccc2CN2CC[C@H](C[NH3+])C2)n1 ZINC000534647959 328343105 /nfs/dbraw/zinc/34/31/05/328343105.db2.gz DKKZXNKLLABEIY-OAHLLOKOSA-N 1 3 284.407 2.270 50 0 CEAAHO CC(C)[NH+](CCNC(=O)[C@H]1CCCCCN1C)C(C)C ZINC000821709928 810571805 /nfs/dbraw/zinc/57/18/05/810571805.db2.gz ZKHAWJNJSQAKIO-OAHLLOKOSA-N 1 3 283.460 2.096 50 0 CEAAHO c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CCOC1 ZINC000584894813 345001453 /nfs/dbraw/zinc/00/14/53/345001453.db2.gz OPWAFDUSKHFJAN-INIZCTEOSA-N 1 3 260.381 2.161 50 0 CEAAHO CCCn1cc(C[NH2+]CCCNCCO)c2ccccc21 ZINC000057353485 362578862 /nfs/dbraw/zinc/57/88/62/362578862.db2.gz NKZDBBZVODDJFG-UHFFFAOYSA-N 1 3 289.423 2.113 50 0 CEAAHO Cc1cc(C)n(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000241795551 370784864 /nfs/dbraw/zinc/78/48/64/370784864.db2.gz SABXMRQJRIUHDE-CVEARBPZSA-N 1 3 276.428 2.106 50 0 CEAAHO Cc1cc(C)n(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000241795551 370784869 /nfs/dbraw/zinc/78/48/69/370784869.db2.gz SABXMRQJRIUHDE-CVEARBPZSA-N 1 3 276.428 2.106 50 0 CEAAHO Cc1cc(C)n(CCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)n1 ZINC000241795551 370784872 /nfs/dbraw/zinc/78/48/72/370784872.db2.gz SABXMRQJRIUHDE-CVEARBPZSA-N 1 3 276.428 2.106 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236819336 370634457 /nfs/dbraw/zinc/63/44/57/370634457.db2.gz ZPICMMNOOZSWKT-XHSDSOJGSA-N 1 3 295.471 2.227 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236819336 370634461 /nfs/dbraw/zinc/63/44/61/370634461.db2.gz ZPICMMNOOZSWKT-XHSDSOJGSA-N 1 3 295.471 2.227 50 0 CEAAHO CC[C@H](C)C[N@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299796630 379143018 /nfs/dbraw/zinc/14/30/18/379143018.db2.gz NHYYMBDKQRJPDO-INIZCTEOSA-N 1 3 295.471 2.053 50 0 CEAAHO CC[C@H](C)C[N@@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299796630 379143020 /nfs/dbraw/zinc/14/30/20/379143020.db2.gz NHYYMBDKQRJPDO-INIZCTEOSA-N 1 3 295.471 2.053 50 0 CEAAHO CCC[C@@H](C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000095967552 278861235 /nfs/dbraw/zinc/86/12/35/278861235.db2.gz UIAGXYRDJGCPAX-CQSZACIVSA-N 1 3 267.461 2.323 50 0 CEAAHO C[NH+]1CCC(CNCc2ccn(-c3ccccc3)n2)CC1 ZINC000061641101 523764890 /nfs/dbraw/zinc/76/48/90/523764890.db2.gz NHBMWHNCAVTFQP-UHFFFAOYSA-N 1 3 284.407 2.304 50 0 CEAAHO c1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000036156138 361831766 /nfs/dbraw/zinc/83/17/66/361831766.db2.gz QJVXJLVQYFGUGF-UHFFFAOYSA-N 1 3 287.451 2.194 50 0 CEAAHO C[C@@H]1NCCCOCCC[NH2+][C@@H](C)c2cccc1n2 ZINC000068604276 362945139 /nfs/dbraw/zinc/94/51/39/362945139.db2.gz IUQYRUCTQSWUGH-STQMWFEESA-N 1 3 263.385 2.193 50 0 CEAAHO N[C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1C1CC1 ZINC000091350889 180137771 /nfs/dbraw/zinc/13/77/71/180137771.db2.gz VGFRIUPBGGHYDT-CVEARBPZSA-N 1 3 260.381 2.125 50 0 CEAAHO N[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1C1CC1 ZINC000091350889 180137772 /nfs/dbraw/zinc/13/77/72/180137772.db2.gz VGFRIUPBGGHYDT-CVEARBPZSA-N 1 3 260.381 2.125 50 0 CEAAHO C[C@H](O)C[NH+]1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000069347269 362960424 /nfs/dbraw/zinc/96/04/24/362960424.db2.gz YRLPWKOJUZTSDZ-NSHDSACASA-N 1 3 286.803 2.115 50 0 CEAAHO C[C@@H]1CCC[C@@H](CO)N1CCC[NH+]1CCCCC1 ZINC000161963840 367126508 /nfs/dbraw/zinc/12/65/08/367126508.db2.gz XLSNWSFTAMBRKN-CABCVRRESA-N 1 3 254.418 2.098 50 0 CEAAHO C[C@H](CN1CCc2ccccc2C1)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426425450 377405927 /nfs/dbraw/zinc/40/59/27/377405927.db2.gz OUMYNFSQKOTMSQ-DQEVTTJGSA-N 1 3 299.462 2.102 50 0 CEAAHO COc1cc(F)ccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000426563099 377418915 /nfs/dbraw/zinc/41/89/15/377418915.db2.gz JCFSTJBXNJCVPZ-LBPRGKRZSA-N 1 3 266.360 2.395 50 0 CEAAHO CC(C)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000020203434 394472930 /nfs/dbraw/zinc/47/29/30/394472930.db2.gz NWJLPKXVTXQBJJ-KBPBESRZSA-N 1 3 254.418 2.216 50 0 CEAAHO CC(C)N1CCN(CCC[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000192768735 395392788 /nfs/dbraw/zinc/39/27/88/395392788.db2.gz WMVLECUGAFFKNS-HNNXBMFYSA-N 1 3 269.477 2.427 50 0 CEAAHO CCCN1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000004989380 170050165 /nfs/dbraw/zinc/05/01/65/170050165.db2.gz SZIAHHNSFXKJPI-UHFFFAOYSA-N 1 3 276.380 2.379 50 0 CEAAHO CCN1CCc2c(C[NH3+])c(-n3cccc3)sc2C1 ZINC000045795970 276236407 /nfs/dbraw/zinc/23/64/07/276236407.db2.gz SKJSWJSNOKNCDL-UHFFFAOYSA-N 1 3 261.394 2.376 50 0 CEAAHO CC(C)CC[N@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000014888588 361461013 /nfs/dbraw/zinc/46/10/13/361461013.db2.gz WKLKGNQCBBINCS-UHFFFAOYSA-N 1 3 295.471 2.053 50 0 CEAAHO CC(C)CC[N@@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000014888588 361461019 /nfs/dbraw/zinc/46/10/19/361461019.db2.gz WKLKGNQCBBINCS-UHFFFAOYSA-N 1 3 295.471 2.053 50 0 CEAAHO CC(=O)C1(c2ccccc2)CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102556566 364599039 /nfs/dbraw/zinc/59/90/39/364599039.db2.gz LHWDGINBRJZPQY-PIIMJCKOSA-N 1 3 298.430 2.075 50 0 CEAAHO C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000230306805 370450988 /nfs/dbraw/zinc/45/09/88/370450988.db2.gz JTPIPHFYWWHHNE-DZOHQFGASA-N 1 3 288.435 2.258 50 0 CEAAHO [NH3+]CCCNCCOc1ccc(Cl)c(Cl)c1 ZINC000004833226 170026028 /nfs/dbraw/zinc/02/60/28/170026028.db2.gz LSKQRVQOWICCTA-UHFFFAOYSA-N 1 3 263.168 2.311 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299752809 280272120 /nfs/dbraw/zinc/27/21/20/280272120.db2.gz VNKHRGGRTTZTHI-PMPSAXMXSA-N 1 3 295.471 2.083 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299752809 280272122 /nfs/dbraw/zinc/27/21/22/280272122.db2.gz VNKHRGGRTTZTHI-PMPSAXMXSA-N 1 3 295.471 2.083 50 0 CEAAHO OCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000230182835 370443668 /nfs/dbraw/zinc/44/36/68/370443668.db2.gz MMUWRUWNHDGEMC-RCCFBDPRSA-N 1 3 288.435 2.259 50 0 CEAAHO Cc1cc(C)n(C[C@@H](C)NCc2ccc(C[NH3+])cc2)n1 ZINC000426712010 395078150 /nfs/dbraw/zinc/07/81/50/395078150.db2.gz INTCQOVQPQRRRF-CYBMUJFWSA-N 1 3 272.396 2.137 50 0 CEAAHO CN(C)CC[N@H+](C)C1CCN(CCc2ccccc2)CC1 ZINC000022045050 171350603 /nfs/dbraw/zinc/35/06/03/171350603.db2.gz PXYMCDFWVPZDKS-UHFFFAOYSA-N 1 3 289.467 2.187 50 0 CEAAHO CN(C)CC[N@@H+](C)C1CCN(CCc2ccccc2)CC1 ZINC000022045050 171350604 /nfs/dbraw/zinc/35/06/04/171350604.db2.gz PXYMCDFWVPZDKS-UHFFFAOYSA-N 1 3 289.467 2.187 50 0 CEAAHO CC(C)[NH+]1CCC(N[C@@H](C)[C@@H](O)Cc2ccccc2)CC1 ZINC000170593828 344484982 /nfs/dbraw/zinc/48/49/82/344484982.db2.gz QVPSOPALWDXYMD-YJBOKZPZSA-N 1 3 290.451 2.441 50 0 CEAAHO c1cn(C[C@H]2CCCC[N@H+]2CCCN2CCCCC2)nn1 ZINC000195572096 344522981 /nfs/dbraw/zinc/52/29/81/344522981.db2.gz AVBPVPRUGVUFQD-MRXNPFEDSA-N 1 3 291.443 2.009 50 0 CEAAHO c1cn(C[C@H]2CCCC[N@@H+]2CCCN2CCCCC2)nn1 ZINC000195572096 344522985 /nfs/dbraw/zinc/52/29/85/344522985.db2.gz AVBPVPRUGVUFQD-MRXNPFEDSA-N 1 3 291.443 2.009 50 0 CEAAHO C[NH+]1CCC(C)(CNCc2ccc3c(n2)CCC3)CC1 ZINC000585087132 539891030 /nfs/dbraw/zinc/89/10/30/539891030.db2.gz QOTAZPBLYAKLPI-UHFFFAOYSA-N 1 3 273.424 2.392 50 0 CEAAHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OC ZINC000037408201 173183603 /nfs/dbraw/zinc/18/36/03/173183603.db2.gz NBOBRYRWXPNJNC-CQSZACIVSA-N 1 3 290.407 2.278 50 0 CEAAHO C[NH+](C)CCNc1cc(-c2cnccc2N)c2cc[nH]c2n1 ZINC000072146403 176324935 /nfs/dbraw/zinc/32/49/35/176324935.db2.gz LJVPPLATBJCLTQ-UHFFFAOYSA-N 1 3 296.378 2.181 50 0 CEAAHO C[C@@H]1CCCN(CCN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000229401531 287348254 /nfs/dbraw/zinc/34/82/54/287348254.db2.gz YIAUBGKYDGDXLN-IAGOWNOFSA-N 1 3 279.472 2.279 50 0 CEAAHO CC(C)=CCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000341292946 278662699 /nfs/dbraw/zinc/66/26/99/278662699.db2.gz VQMDCPRZASWERM-AWEZNQCLSA-N 1 3 254.418 2.168 50 0 CEAAHO CC(C)[NH+](CCNC(=O)[C@@H]1CCCCCN1C)C(C)C ZINC000821709921 810572206 /nfs/dbraw/zinc/57/22/06/810572206.db2.gz ZKHAWJNJSQAKIO-HNNXBMFYSA-N 1 3 283.460 2.096 50 0 CEAAHO c1cc(CN2CCC3(C2)CC[NH2+]CC3)n(-c2ccccc2)n1 ZINC000067908550 362931892 /nfs/dbraw/zinc/93/18/92/362931892.db2.gz JXBPCWVPDYOQMC-UHFFFAOYSA-N 1 3 296.418 2.448 50 0 CEAAHO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000195548195 370139954 /nfs/dbraw/zinc/13/99/54/370139954.db2.gz FWZFCNZYDPMRIS-MSOLQXFVSA-N 1 3 291.483 2.445 50 0 CEAAHO C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000195548195 370139958 /nfs/dbraw/zinc/13/99/58/370139958.db2.gz FWZFCNZYDPMRIS-MSOLQXFVSA-N 1 3 291.483 2.445 50 0 CEAAHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN([C@@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426667661 377427506 /nfs/dbraw/zinc/42/75/06/377427506.db2.gz VEJVGFSTGPLBSX-DLTLXFJOSA-N 1 3 289.398 2.074 50 0 CEAAHO C[NH+](C)CC1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000096403723 394680876 /nfs/dbraw/zinc/68/08/76/394680876.db2.gz QPTRRMMERXUWBP-MRXNPFEDSA-N 1 3 280.387 2.133 50 0 CEAAHO Cc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000169781745 395089935 /nfs/dbraw/zinc/08/99/35/395089935.db2.gz GFOILBOVMQWIAW-OAHLLOKOSA-N 1 3 259.397 2.212 50 0 CEAAHO COC(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045944700 400162333 /nfs/dbraw/zinc/16/23/33/400162333.db2.gz WHHDIVYQQHPDMX-UHFFFAOYSA-N 1 3 282.428 2.138 50 0 CEAAHO CN(Cc1cccc2cnccc21)C[C@@H]1CC[NH2+]C1 ZINC000072149532 176327013 /nfs/dbraw/zinc/32/70/13/176327013.db2.gz NRVFOUWEMDKYFV-CYBMUJFWSA-N 1 3 255.365 2.276 50 0 CEAAHO Cc1cnccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090846706 344144231 /nfs/dbraw/zinc/14/42/31/344144231.db2.gz KRVUXSIRONEJNX-JKSUJKDBSA-N 1 3 259.397 2.149 50 0 CEAAHO Cc1cnccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090846706 344144232 /nfs/dbraw/zinc/14/42/32/344144232.db2.gz KRVUXSIRONEJNX-JKSUJKDBSA-N 1 3 259.397 2.149 50 0 CEAAHO COC[C@@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000091861641 180275580 /nfs/dbraw/zinc/27/55/80/180275580.db2.gz OXRKMZJQATZKHQ-INIZCTEOSA-N 1 3 292.423 2.238 50 0 CEAAHO COC[C@@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000091861641 180275581 /nfs/dbraw/zinc/27/55/81/180275581.db2.gz OXRKMZJQATZKHQ-INIZCTEOSA-N 1 3 292.423 2.238 50 0 CEAAHO O[C@]1(CN2CCCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000077438015 363547227 /nfs/dbraw/zinc/54/72/27/363547227.db2.gz GPCVIHUYTQLWEF-SFHVURJKSA-N 1 3 288.435 2.152 50 0 CEAAHO O[C@]1(CN2CCCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000077438015 363547230 /nfs/dbraw/zinc/54/72/30/363547230.db2.gz GPCVIHUYTQLWEF-SFHVURJKSA-N 1 3 288.435 2.152 50 0 CEAAHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)C(C)(C)C ZINC000095967718 296123233 /nfs/dbraw/zinc/12/32/33/296123233.db2.gz JAVXZACNEAHNIN-CQSZACIVSA-N 1 3 255.450 2.038 50 0 CEAAHO CCCN1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000048331213 400193918 /nfs/dbraw/zinc/19/39/18/400193918.db2.gz YDMJBOZCEMTKMY-HNNXBMFYSA-N 1 3 298.377 2.462 50 0 CEAAHO CCN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019636567 276382968 /nfs/dbraw/zinc/38/29/68/276382968.db2.gz FZBGUYCTULHBSB-UHFFFAOYSA-N 1 3 287.451 2.289 50 0 CEAAHO O=C(Nc1ccccc1CN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000037045464 814988994 /nfs/dbraw/zinc/98/89/94/814988994.db2.gz ZPNNJXQQRZOWCM-AWEZNQCLSA-N 1 3 287.407 2.221 50 0 CEAAHO CC[N@@H+]1CCC[C@H](CN(C)CCC2(O)CCCC2)C1 ZINC000823109916 810605860 /nfs/dbraw/zinc/60/58/60/810605860.db2.gz ZRDUBHUPKCENTI-OAHLLOKOSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[N@H+]1CCC[C@H](CN(C)CCC2(O)CCCC2)C1 ZINC000823109916 810605865 /nfs/dbraw/zinc/60/58/65/810605865.db2.gz ZRDUBHUPKCENTI-OAHLLOKOSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[N@@H+]1CCC[C@@H](CN(C)CCC2(O)CCCC2)C1 ZINC000823109915 810606156 /nfs/dbraw/zinc/60/61/56/810606156.db2.gz ZRDUBHUPKCENTI-HNNXBMFYSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[N@H+]1CCC[C@@H](CN(C)CCC2(O)CCCC2)C1 ZINC000823109915 810606163 /nfs/dbraw/zinc/60/61/63/810606163.db2.gz ZRDUBHUPKCENTI-HNNXBMFYSA-N 1 3 268.445 2.345 50 0 CEAAHO c1nn([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934598 371776486 /nfs/dbraw/zinc/77/64/86/371776486.db2.gz LWXZNQOUNMFKNE-GDBMZVCRSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c2ccccc12 ZINC000261934598 371776491 /nfs/dbraw/zinc/77/64/91/371776491.db2.gz LWXZNQOUNMFKNE-GDBMZVCRSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c2ccccc12 ZINC000261934598 371776496 /nfs/dbraw/zinc/77/64/96/371776496.db2.gz LWXZNQOUNMFKNE-GDBMZVCRSA-N 1 3 284.407 2.283 50 0 CEAAHO COc1ccccc1CN1CCC2(CC[C@@H](C[NH3+])O2)CC1 ZINC000299786898 379140067 /nfs/dbraw/zinc/14/00/67/379140067.db2.gz YDKBTRFVSZREJD-HNNXBMFYSA-N 1 3 290.407 2.168 50 0 CEAAHO CCCCN1CC2C[NH+](CCCC)CC(C1)C2=O ZINC000008730119 170350812 /nfs/dbraw/zinc/35/08/12/170350812.db2.gz JDZITGDSCMKQPR-UHFFFAOYSA-N 1 3 252.402 2.019 50 0 CEAAHO CCc1nccn1C[C@H](C)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000823557068 810620136 /nfs/dbraw/zinc/62/01/36/810620136.db2.gz ASNUZUKCVXKPDA-HNNXBMFYSA-N 1 3 290.455 2.252 50 0 CEAAHO CCc1nccn1C[C@H](C)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823557068 810620141 /nfs/dbraw/zinc/62/01/41/810620141.db2.gz ASNUZUKCVXKPDA-HNNXBMFYSA-N 1 3 290.455 2.252 50 0 CEAAHO Cc1cc(F)ccc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000585136804 345007087 /nfs/dbraw/zinc/00/70/87/345007087.db2.gz SXOUSQHXDDDLSV-UHFFFAOYSA-N 1 3 280.387 2.023 50 0 CEAAHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CN2CCCCCCC2)C1 ZINC000067816945 362926665 /nfs/dbraw/zinc/92/66/65/362926665.db2.gz KSCGHTWERDBIQF-MRXNPFEDSA-N 1 3 295.471 2.099 50 0 CEAAHO CC(C)[N@H+]1CC[C@H](CNC(=O)CN2CCCCCCC2)C1 ZINC000067816945 362926668 /nfs/dbraw/zinc/92/66/68/362926668.db2.gz KSCGHTWERDBIQF-MRXNPFEDSA-N 1 3 295.471 2.099 50 0 CEAAHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CN2CCCCCCC2)C1 ZINC000067816955 362927439 /nfs/dbraw/zinc/92/74/39/362927439.db2.gz KSCGHTWERDBIQF-INIZCTEOSA-N 1 3 295.471 2.099 50 0 CEAAHO CC(C)[N@H+]1CC[C@@H](CNC(=O)CN2CCCCCCC2)C1 ZINC000067816955 362927441 /nfs/dbraw/zinc/92/74/41/362927441.db2.gz KSCGHTWERDBIQF-INIZCTEOSA-N 1 3 295.471 2.099 50 0 CEAAHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2F)CC1 ZINC000069901487 363014153 /nfs/dbraw/zinc/01/41/53/363014153.db2.gz WNDMFPGSKFEBGQ-AWEZNQCLSA-N 1 3 294.414 2.350 50 0 CEAAHO CC[NH+](CC)C[C@H]1CCCN1C(=O)[C@H]1CCCCCN1C ZINC000019147695 361521244 /nfs/dbraw/zinc/52/12/44/361521244.db2.gz PASKCXXWPATECB-HZPDHXFCSA-N 1 3 295.471 2.194 50 0 CEAAHO C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000195557210 370141067 /nfs/dbraw/zinc/14/10/67/370141067.db2.gz JTPIPHFYWWHHNE-XOYOTBSWSA-N 1 3 288.435 2.258 50 0 CEAAHO c1nn([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934601 371777919 /nfs/dbraw/zinc/77/79/19/371777919.db2.gz LWXZNQOUNMFKNE-HOCLYGCPSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c2ccccc12 ZINC000261934601 371777925 /nfs/dbraw/zinc/77/79/25/371777925.db2.gz LWXZNQOUNMFKNE-HOCLYGCPSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c2ccccc12 ZINC000261934601 371777934 /nfs/dbraw/zinc/77/79/34/371777934.db2.gz LWXZNQOUNMFKNE-HOCLYGCPSA-N 1 3 284.407 2.283 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236818062 394487243 /nfs/dbraw/zinc/48/72/43/394487243.db2.gz ZPICMMNOOZSWKT-JYJNAYRXSA-N 1 3 295.471 2.227 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236818062 394487244 /nfs/dbraw/zinc/48/72/44/394487244.db2.gz ZPICMMNOOZSWKT-JYJNAYRXSA-N 1 3 295.471 2.227 50 0 CEAAHO OC[C@]12CCCN[C@@H]1CC[N@H+](CCCc1ccccc1)C2 ZINC000072169557 176332165 /nfs/dbraw/zinc/33/21/65/176332165.db2.gz HVGGCCJXQUACAT-QZTJIDSGSA-N 1 3 288.435 2.056 50 0 CEAAHO OC[C@]12CCCN[C@@H]1CC[N@@H+](CCCc1ccccc1)C2 ZINC000072169557 176332166 /nfs/dbraw/zinc/33/21/66/176332166.db2.gz HVGGCCJXQUACAT-QZTJIDSGSA-N 1 3 288.435 2.056 50 0 CEAAHO [NH3+]CCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000263052545 279627813 /nfs/dbraw/zinc/62/78/13/279627813.db2.gz UQIBPFIXJGCVDA-UHFFFAOYSA-N 1 3 291.483 2.169 50 0 CEAAHO C[N@H+](CCO)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012612996 643650707 /nfs/dbraw/zinc/65/07/07/643650707.db2.gz JFANOHIRQGOTOQ-UHFFFAOYSA-N 1 3 294.414 2.004 50 0 CEAAHO C[N@@H+](CCO)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012612996 643650719 /nfs/dbraw/zinc/65/07/19/643650719.db2.gz JFANOHIRQGOTOQ-UHFFFAOYSA-N 1 3 294.414 2.004 50 0 CEAAHO C[NH+](C)Cc1ccc(-c2noc(C34CCN(CC3)C4)n2)cc1 ZINC000952881989 815075542 /nfs/dbraw/zinc/07/55/42/815075542.db2.gz LBLNOMGOSFFYJQ-UHFFFAOYSA-N 1 3 298.390 2.145 50 0 CEAAHO CC(C)C[N@@H+]1CCC[C@H](CCNC(=O)C2(N)CCCC2)C1 ZINC000067723031 362921224 /nfs/dbraw/zinc/92/12/24/362921224.db2.gz KBGLJDQGIPFZFE-OAHLLOKOSA-N 1 3 295.471 2.132 50 0 CEAAHO CC(C)C[N@H+]1CCC[C@H](CCNC(=O)C2(N)CCCC2)C1 ZINC000067723031 362921230 /nfs/dbraw/zinc/92/12/30/362921230.db2.gz KBGLJDQGIPFZFE-OAHLLOKOSA-N 1 3 295.471 2.132 50 0 CEAAHO Cn1c2ccccc2nc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000067867343 362928104 /nfs/dbraw/zinc/92/81/04/362928104.db2.gz LICMHVYHKKEEBD-UHFFFAOYSA-N 1 3 284.407 2.149 50 0 CEAAHO CC(C)n1cnnc1CCNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000670473447 540430016 /nfs/dbraw/zinc/43/00/16/540430016.db2.gz OBBGWSGGDRPFGW-UHFFFAOYSA-N 1 3 293.459 2.300 50 0 CEAAHO NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941923 361499686 /nfs/dbraw/zinc/49/96/86/361499686.db2.gz MGIDJIAQVXHRBE-KRWDZBQOSA-N 1 3 287.451 2.322 50 0 CEAAHO NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941923 361499690 /nfs/dbraw/zinc/49/96/90/361499690.db2.gz MGIDJIAQVXHRBE-KRWDZBQOSA-N 1 3 287.451 2.322 50 0 CEAAHO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1cc[nH]c(=O)c1 ZINC000551238904 380637804 /nfs/dbraw/zinc/63/78/04/380637804.db2.gz GAVZWFYASSPMNT-LBPRGKRZSA-N 1 3 275.396 2.312 50 0 CEAAHO CC(C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000079092801 394629819 /nfs/dbraw/zinc/62/98/19/394629819.db2.gz MCGXQCOGJLBSMY-CABCVRRESA-N 1 3 297.487 2.199 50 0 CEAAHO CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000079092801 394629824 /nfs/dbraw/zinc/62/98/24/394629824.db2.gz MCGXQCOGJLBSMY-CABCVRRESA-N 1 3 297.487 2.199 50 0 CEAAHO Cc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000169781746 395089865 /nfs/dbraw/zinc/08/98/65/395089865.db2.gz GFOILBOVMQWIAW-HNNXBMFYSA-N 1 3 259.397 2.212 50 0 CEAAHO Fc1ccc(C[C@@H]2CN(CC3CC[NH2+]CC3)CCO2)cc1 ZINC000071721688 176252898 /nfs/dbraw/zinc/25/28/98/176252898.db2.gz BYBNJERFQJJPNS-QGZVFWFLSA-N 1 3 292.398 2.069 50 0 CEAAHO CC[C@@H]1CN(Cc2cccc(CC[NH3+])c2)CCN1C(C)C ZINC000072154903 176328919 /nfs/dbraw/zinc/32/89/19/176328919.db2.gz KOKADVSBSBDRIL-GOSISDBHSA-N 1 3 289.467 2.492 50 0 CEAAHO C[C@@H](C1CCN(Cc2ccc(N(C)C)nc2)CC1)[NH+](C)C ZINC000077488749 177274593 /nfs/dbraw/zinc/27/45/93/177274593.db2.gz YRSBAEICEOORDY-AWEZNQCLSA-N 1 3 290.455 2.310 50 0 CEAAHO CNCC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000071753058 260273457 /nfs/dbraw/zinc/27/34/57/260273457.db2.gz KJBFCGNBQUFPJA-MRXNPFEDSA-N 1 3 289.423 2.021 50 0 CEAAHO CCN(CC)CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000170612341 279096038 /nfs/dbraw/zinc/09/60/38/279096038.db2.gz MWBWHADSTWGLBP-HZPDHXFCSA-N 1 3 268.445 2.345 50 0 CEAAHO CCN(CC)CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000170612341 279096039 /nfs/dbraw/zinc/09/60/39/279096039.db2.gz MWBWHADSTWGLBP-HZPDHXFCSA-N 1 3 268.445 2.345 50 0 CEAAHO c1coc([C@H](NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000952969750 815084753 /nfs/dbraw/zinc/08/47/53/815084753.db2.gz GSFUJDMXNAWMQX-WBTNSWJXSA-N 1 3 268.360 2.424 50 0 CEAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OC ZINC000057901407 362600582 /nfs/dbraw/zinc/60/05/82/362600582.db2.gz RLKWUMFTRBEPKJ-UHFFFAOYSA-N 1 3 286.803 2.399 50 0 CEAAHO CC[C@@]1(CO)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000065375470 362812593 /nfs/dbraw/zinc/81/25/93/362812593.db2.gz SSONGFKJJGUCSI-QXSJWSMHSA-N 1 3 294.826 2.303 50 0 CEAAHO CC[C@@]1(CO)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000065375470 362812599 /nfs/dbraw/zinc/81/25/99/362812599.db2.gz SSONGFKJJGUCSI-QXSJWSMHSA-N 1 3 294.826 2.303 50 0 CEAAHO c1cc2c(cccc2C[NH+]2CCC3(CC2)CNCCO3)[nH]1 ZINC000426668290 377426897 /nfs/dbraw/zinc/42/68/97/377426897.db2.gz JPRKVQUDANZGAQ-UHFFFAOYSA-N 1 3 285.391 2.122 50 0 CEAAHO CO[C@H]1C[N@H+](Cc2c(C)ccc3ncccc32)CC[C@H]1N ZINC000071730370 274081500 /nfs/dbraw/zinc/08/15/00/274081500.db2.gz GTFHNLTXTYTSCU-WBVHZDCISA-N 1 3 285.391 2.091 50 0 CEAAHO CO[C@H]1C[N@@H+](Cc2c(C)ccc3ncccc32)CC[C@H]1N ZINC000071730370 274081501 /nfs/dbraw/zinc/08/15/01/274081501.db2.gz GTFHNLTXTYTSCU-WBVHZDCISA-N 1 3 285.391 2.091 50 0 CEAAHO O[C@H]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683601 627374711 /nfs/dbraw/zinc/37/47/11/627374711.db2.gz SZVSQICNJKOEAI-SFHVURJKSA-N 1 3 288.435 2.150 50 0 CEAAHO COc1cccc(CCCN[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000685943559 539306739 /nfs/dbraw/zinc/30/67/39/539306739.db2.gz WBYVJBJVXHIPMM-JKSUJKDBSA-N 1 3 274.408 2.487 50 0 CEAAHO [NH3+][C@@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 ZINC000066323543 362860793 /nfs/dbraw/zinc/86/07/93/362860793.db2.gz ZNUBNUJFQABQLK-OAHLLOKOSA-N 1 3 260.381 2.159 50 0 CEAAHO C=Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN(C)CC)C2)c1 ZINC000091649913 180216020 /nfs/dbraw/zinc/21/60/20/180216020.db2.gz CPIPHBTVXBQOIC-QZTJIDSGSA-N 1 3 288.435 2.322 50 0 CEAAHO C=Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN(C)CC)C2)c1 ZINC000091649913 180216022 /nfs/dbraw/zinc/21/60/22/180216022.db2.gz CPIPHBTVXBQOIC-QZTJIDSGSA-N 1 3 288.435 2.322 50 0 CEAAHO C[C@H]1CCC[C@@H](CO)N1CCC[NH+]1CCCCC1 ZINC000161963966 367126976 /nfs/dbraw/zinc/12/69/76/367126976.db2.gz XLSNWSFTAMBRKN-GJZGRUSLSA-N 1 3 254.418 2.098 50 0 CEAAHO COCCN(C)Cc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000169676879 367369793 /nfs/dbraw/zinc/36/97/93/367369793.db2.gz DCKBWCBLKYXUHP-UHFFFAOYSA-N 1 3 276.424 2.307 50 0 CEAAHO c1nn([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000261934599 371777052 /nfs/dbraw/zinc/77/70/52/371777052.db2.gz LWXZNQOUNMFKNE-GOEBONIOSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c2ccccc12 ZINC000261934599 371777062 /nfs/dbraw/zinc/77/70/62/371777062.db2.gz LWXZNQOUNMFKNE-GOEBONIOSA-N 1 3 284.407 2.283 50 0 CEAAHO c1nn([C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c2ccccc12 ZINC000261934599 371777072 /nfs/dbraw/zinc/77/70/72/371777072.db2.gz LWXZNQOUNMFKNE-GOEBONIOSA-N 1 3 284.407 2.283 50 0 CEAAHO Cc1nccn1CCN(C)CC(C)(C)C[NH+]1CCCC1 ZINC000216034161 394450526 /nfs/dbraw/zinc/45/05/26/394450526.db2.gz REKAJSICCCDSNW-UHFFFAOYSA-N 1 3 278.444 2.245 50 0 CEAAHO CC(C)(O)[C@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000822293570 810581226 /nfs/dbraw/zinc/58/12/26/810581226.db2.gz KZQKZCRFJVVJDJ-LBPRGKRZSA-N 1 3 268.445 2.388 50 0 CEAAHO CC(C)(O)[C@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000822293570 810581231 /nfs/dbraw/zinc/58/12/31/810581231.db2.gz KZQKZCRFJVVJDJ-LBPRGKRZSA-N 1 3 268.445 2.388 50 0 CEAAHO C[N@H+](C[C@H]1CCOC1)CC(C)(C)CN1CCCC1 ZINC000823680626 810624398 /nfs/dbraw/zinc/62/43/98/810624398.db2.gz RBHSFDYIJQKHRF-CQSZACIVSA-N 1 3 254.418 2.077 50 0 CEAAHO C[N@@H+](C[C@H]1CCOC1)CC(C)(C)CN1CCCC1 ZINC000823680626 810624403 /nfs/dbraw/zinc/62/44/03/810624403.db2.gz RBHSFDYIJQKHRF-CQSZACIVSA-N 1 3 254.418 2.077 50 0 CEAAHO COc1cccc(CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000685943554 539306726 /nfs/dbraw/zinc/30/67/26/539306726.db2.gz WBYVJBJVXHIPMM-CVEARBPZSA-N 1 3 274.408 2.487 50 0 CEAAHO CC(C)CN1CCC([NH2+]CCNc2cccnc2)CC1 ZINC000067964900 362933568 /nfs/dbraw/zinc/93/35/68/362933568.db2.gz MBCVMPKACGNPDZ-UHFFFAOYSA-N 1 3 276.428 2.204 50 0 CEAAHO CCn1nc(CNCC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000057353470 175594596 /nfs/dbraw/zinc/59/45/96/175594596.db2.gz RMYGGABOSCYNIY-UHFFFAOYSA-N 1 3 299.422 2.054 50 0 CEAAHO Cc1ncc(CN2CCC3(C2)CC[NH2+]CC3)s1 ZINC000067947669 175803888 /nfs/dbraw/zinc/80/38/88/175803888.db2.gz KGZNMSSJMMSCQZ-UHFFFAOYSA-N 1 3 251.399 2.027 50 0 CEAAHO C[C@@H](CO)C1CCN(CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000828652181 810827860 /nfs/dbraw/zinc/82/78/60/810827860.db2.gz WTSIMOPUNUZTON-HNNXBMFYSA-N 1 3 282.472 2.449 50 0 CEAAHO C[C@@H](CO)C1CC[NH+](CC(C)(C)CN2CCCC2)CC1 ZINC000828652181 810827867 /nfs/dbraw/zinc/82/78/67/810827867.db2.gz WTSIMOPUNUZTON-HNNXBMFYSA-N 1 3 282.472 2.449 50 0 CEAAHO CCN(C/C=C/c1ccccc1)C(=O)[C@@H](N)CCCC[NH3+] ZINC000055384302 362550694 /nfs/dbraw/zinc/55/06/94/362550694.db2.gz GCLLDBKCXNKOKB-KXKDPZRNSA-N 1 3 289.423 2.005 50 0 CEAAHO OCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000221770963 370244763 /nfs/dbraw/zinc/24/47/63/370244763.db2.gz MMUWRUWNHDGEMC-OKZBNKHCSA-N 1 3 288.435 2.259 50 0 CEAAHO COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299771041 379131661 /nfs/dbraw/zinc/13/16/61/379131661.db2.gz RGZUKQKWGAVGQI-OAHLLOKOSA-N 1 3 290.407 2.027 50 0 CEAAHO COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299771041 379131670 /nfs/dbraw/zinc/13/16/70/379131670.db2.gz RGZUKQKWGAVGQI-OAHLLOKOSA-N 1 3 290.407 2.027 50 0 CEAAHO CC(C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020203430 394472976 /nfs/dbraw/zinc/47/29/76/394472976.db2.gz NWJLPKXVTXQBJJ-OKILXGFUSA-N 1 3 254.418 2.216 50 0 CEAAHO C(CSCC1CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484377 527487452 /nfs/dbraw/zinc/48/74/52/527487452.db2.gz OTEMDEPVMCXJMY-UONOGXRCSA-N 1 3 254.443 2.346 50 0 CEAAHO C(CSCC1CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484377 527487457 /nfs/dbraw/zinc/48/74/57/527487457.db2.gz OTEMDEPVMCXJMY-UONOGXRCSA-N 1 3 254.443 2.346 50 0 CEAAHO C[C@H](C1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000077302605 813842830 /nfs/dbraw/zinc/84/28/30/813842830.db2.gz HPZADNGWTHYSHT-CQSZACIVSA-N 1 3 275.396 2.019 50 0 CEAAHO OCCNCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000013733058 361439654 /nfs/dbraw/zinc/43/96/54/361439654.db2.gz QRUQIIUQRBDLLI-UHFFFAOYSA-N 1 3 284.403 2.415 50 0 CEAAHO Cc1ccc(OCCCNCC[NH3+])c(Br)c1 ZINC000020118279 361580588 /nfs/dbraw/zinc/58/05/88/361580588.db2.gz UWCRONNSVJWSQN-UHFFFAOYSA-N 1 3 287.201 2.075 50 0 CEAAHO Cc1cc(OCCCNCC[NH3+])ccc1C(C)C ZINC000020117913 361580730 /nfs/dbraw/zinc/58/07/30/361580730.db2.gz ODIUXAUABCLQNV-UHFFFAOYSA-N 1 3 250.386 2.436 50 0 CEAAHO Cc1ncccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237504767 370726774 /nfs/dbraw/zinc/72/67/74/370726774.db2.gz LNWOIFVUMXKEBX-HUUCEWRRSA-N 1 3 291.439 2.369 50 0 CEAAHO Cc1ncccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237669064 370742766 /nfs/dbraw/zinc/74/27/66/370742766.db2.gz LNWOIFVUMXKEBX-GASCZTMLSA-N 1 3 291.439 2.369 50 0 CEAAHO CC(C)(CN1CCC(c2nc[nH]n2)CC1)C[NH+]1CCCC1 ZINC000215072326 370173412 /nfs/dbraw/zinc/17/34/12/370173412.db2.gz WTCFZERKLCXYBA-UHFFFAOYSA-N 1 3 291.443 2.106 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@H](C)N)C2)CCO1 ZINC000225323017 276001138 /nfs/dbraw/zinc/00/11/38/276001138.db2.gz ASNADAZSBVMWTP-XQLPTFJDSA-N 1 3 254.418 2.249 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@H](C)N)C2)CCO1 ZINC000225323017 276001139 /nfs/dbraw/zinc/00/11/39/276001139.db2.gz ASNADAZSBVMWTP-XQLPTFJDSA-N 1 3 254.418 2.249 50 0 CEAAHO C[N@H+]1C[C@H]2CN(Cc3cccc4cc[nH]c43)C[C@H]2C1 ZINC000216024363 538882236 /nfs/dbraw/zinc/88/22/36/538882236.db2.gz SWPXVTKPJRUSMX-GASCZTMLSA-N 1 3 255.365 2.161 50 0 CEAAHO C[N@@H+]1C[C@H]2CN(Cc3cccc4cc[nH]c43)C[C@H]2C1 ZINC000216024363 538882238 /nfs/dbraw/zinc/88/22/38/538882238.db2.gz SWPXVTKPJRUSMX-GASCZTMLSA-N 1 3 255.365 2.161 50 0 CEAAHO CCCO[C@@H]1CCCN(C2CC[NH+](CC)CC2)C1 ZINC000032603462 361745522 /nfs/dbraw/zinc/74/55/22/361745522.db2.gz HSDYLHISCXSTJT-OAHLLOKOSA-N 1 3 254.418 2.362 50 0 CEAAHO COc1ccccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000585141212 345007658 /nfs/dbraw/zinc/00/76/58/345007658.db2.gz RMKVGXROMYHNIW-UHFFFAOYSA-N 1 3 292.423 2.020 50 0 CEAAHO CCc1ccc(CN2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000067956092 362932981 /nfs/dbraw/zinc/93/29/81/362932981.db2.gz SSEMSTHZIMZDCD-UHFFFAOYSA-N 1 3 259.397 2.220 50 0 CEAAHO CN1CCC(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000023279931 361598004 /nfs/dbraw/zinc/59/80/04/361598004.db2.gz ITCVSVZMIZINNR-UHFFFAOYSA-N 1 3 265.445 2.031 50 0 CEAAHO CCN1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000245339326 370809163 /nfs/dbraw/zinc/80/91/63/370809163.db2.gz SARVBRDOJFVVRO-UCHQMPSGSA-N 1 3 279.472 2.322 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299753868 379127632 /nfs/dbraw/zinc/12/76/32/379127632.db2.gz ZPICMMNOOZSWKT-PMPSAXMXSA-N 1 3 295.471 2.227 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299753868 379127645 /nfs/dbraw/zinc/12/76/45/379127645.db2.gz ZPICMMNOOZSWKT-PMPSAXMXSA-N 1 3 295.471 2.227 50 0 CEAAHO CC(C)C[NH+]1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000065494834 362828899 /nfs/dbraw/zinc/82/88/99/362828899.db2.gz WUWCXNNJXUMCFR-UHFFFAOYSA-N 1 3 289.467 2.392 50 0 CEAAHO CC1(C)[NH2+]CC[C@@H]1NCCCc1nc2ccc(F)cc2[nH]1 ZINC000067605924 362913415 /nfs/dbraw/zinc/91/34/15/362913415.db2.gz YVNLVNSTCWRJMS-AWEZNQCLSA-N 1 3 290.386 2.365 50 0 CEAAHO Cc1cc(Br)ccc1OCCCNCC[NH3+] ZINC000020118638 361581038 /nfs/dbraw/zinc/58/10/38/361581038.db2.gz GYUSPNMJSGFDSQ-UHFFFAOYSA-N 1 3 287.201 2.075 50 0 CEAAHO CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000030907042 361705170 /nfs/dbraw/zinc/70/51/70/361705170.db2.gz DUSWGTUUCUICEP-HNNXBMFYSA-N 1 3 287.407 2.219 50 0 CEAAHO Cc1cc(N2CCC([C@@H](C)N3CCOCC3)CC2)cc[nH+]1 ZINC000095357144 364344587 /nfs/dbraw/zinc/34/45/87/364344587.db2.gz COOOUHIQSKOZGT-OAHLLOKOSA-N 1 3 289.423 2.327 50 0 CEAAHO CC(C)C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000096477158 279112124 /nfs/dbraw/zinc/11/21/24/279112124.db2.gz MJSUJJUTPUFAEM-HNNXBMFYSA-N 1 3 255.450 2.038 50 0 CEAAHO CCn1ncnc1[C@H](C)NC1CCC2(CC[NH2+]CC2)CC1 ZINC000067880837 281687144 /nfs/dbraw/zinc/68/71/44/281687144.db2.gz MHAQEWXDOJNMSC-ZDUSSCGKSA-N 1 3 291.443 2.261 50 0 CEAAHO Cc1cc(N2CCN(C)[C@@H](C)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000823795753 810628782 /nfs/dbraw/zinc/62/87/82/810628782.db2.gz NRMLYPBLYVAJHH-LBPRGKRZSA-N 1 3 299.374 2.412 50 0 CEAAHO c1cc(CN2CCC3(C2)CC[NH2+]CC3)n(-c2ccccn2)c1 ZINC000067789495 362924698 /nfs/dbraw/zinc/92/46/98/362924698.db2.gz PANQJGHUTXVYLA-UHFFFAOYSA-N 1 3 296.418 2.448 50 0 CEAAHO c1csc(CN2CCCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000106976542 186154568 /nfs/dbraw/zinc/15/45/68/186154568.db2.gz UUCDXTRAIIGPHB-HNNXBMFYSA-N 1 3 293.480 2.255 50 0 CEAAHO C[C@H](NCC1CC[NH+](CCO)CC1)c1c(F)cccc1F ZINC000069514032 362975727 /nfs/dbraw/zinc/97/57/27/362975727.db2.gz HARMYSPHRXZBLR-LBPRGKRZSA-N 1 3 298.377 2.320 50 0 CEAAHO CCn1ccc2ccc(CN3CC[C@@H](C[NH3+])C3)cc21 ZINC000071754413 363112262 /nfs/dbraw/zinc/11/22/62/363112262.db2.gz JQHKFCCDVBZDOK-AWEZNQCLSA-N 1 3 257.381 2.442 50 0 CEAAHO COCC[N@@H+]1CC[C@H](CN(C)CC2=CCCCC2)C1 ZINC000670451314 540415101 /nfs/dbraw/zinc/41/51/01/540415101.db2.gz XKMUPAPPQUPUAZ-MRXNPFEDSA-N 1 3 266.429 2.387 50 0 CEAAHO COCC[N@H+]1CC[C@H](CN(C)CC2=CCCCC2)C1 ZINC000670451314 540415102 /nfs/dbraw/zinc/41/51/02/540415102.db2.gz XKMUPAPPQUPUAZ-MRXNPFEDSA-N 1 3 266.429 2.387 50 0 CEAAHO CC[NH+](CC)C[C@H]1CCCN1C(=O)[C@@H]1CCCCCN1C ZINC000019147689 361521657 /nfs/dbraw/zinc/52/16/57/361521657.db2.gz PASKCXXWPATECB-CVEARBPZSA-N 1 3 295.471 2.194 50 0 CEAAHO CCN(CC)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000241383529 279095896 /nfs/dbraw/zinc/09/58/96/279095896.db2.gz MWBWHADSTWGLBP-HOTGVXAUSA-N 1 3 268.445 2.345 50 0 CEAAHO CCN(CC)CCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000241383529 279095899 /nfs/dbraw/zinc/09/58/99/279095899.db2.gz MWBWHADSTWGLBP-HOTGVXAUSA-N 1 3 268.445 2.345 50 0 CEAAHO CC(C)n1cc(C[NH2+]CCCNCCO)c2ccccc21 ZINC000057353477 362579120 /nfs/dbraw/zinc/57/91/20/362579120.db2.gz MPQXVXSKJHVRKL-UHFFFAOYSA-N 1 3 289.423 2.284 50 0 CEAAHO C[C@H]1NCCCOCCC[NH2+][C@H](C)c2cccc1n2 ZINC000068604281 291188514 /nfs/dbraw/zinc/18/85/14/291188514.db2.gz IUQYRUCTQSWUGH-CHWSQXEVSA-N 1 3 263.385 2.193 50 0 CEAAHO Cc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000095420769 364367918 /nfs/dbraw/zinc/36/79/18/364367918.db2.gz WBXYRSLAUSLGMF-HNNXBMFYSA-N 1 3 276.424 2.492 50 0 CEAAHO C[C@@H](CN1CCc2ccccc2C1)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426425454 377404746 /nfs/dbraw/zinc/40/47/46/377404746.db2.gz OUMYNFSQKOTMSQ-FZDIXFNVSA-N 1 3 299.462 2.102 50 0 CEAAHO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1Nc1ccnc2ccccc21 ZINC000222798230 230398499 /nfs/dbraw/zinc/39/84/99/230398499.db2.gz CPSMFHXNFPTWQK-VJUNAUMWSA-N 1 3 283.375 2.364 50 0 CEAAHO CC[N@H+](C)C1(CNc2cc(C)nc(N)n2)CCCC1 ZINC000091526200 180178888 /nfs/dbraw/zinc/17/88/88/180178888.db2.gz PXDTWSLLBCNSLW-UHFFFAOYSA-N 1 3 263.389 2.044 50 0 CEAAHO CC[N@@H+](C)C1(CNc2cc(C)nc(N)n2)CCCC1 ZINC000091526200 180178890 /nfs/dbraw/zinc/17/88/90/180178890.db2.gz PXDTWSLLBCNSLW-UHFFFAOYSA-N 1 3 263.389 2.044 50 0 CEAAHO C[C@H]1CCCN(CCN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000072312094 363130297 /nfs/dbraw/zinc/13/02/97/363130297.db2.gz YIAUBGKYDGDXLN-IRXDYDNUSA-N 1 3 279.472 2.279 50 0 CEAAHO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ccncc2)C1 ZINC000095517190 364393576 /nfs/dbraw/zinc/39/35/76/364393576.db2.gz MOWMWSWAUZLTOT-OAHLLOKOSA-N 1 3 299.422 2.224 50 0 CEAAHO C[C@H]1CCC[C@H](CO)N1CCC[NH+]1CCCCC1 ZINC000161963682 367126714 /nfs/dbraw/zinc/12/67/14/367126714.db2.gz XLSNWSFTAMBRKN-LSDHHAIUSA-N 1 3 254.418 2.098 50 0 CEAAHO C1CNCCCSCCCSCCC[NH2+]C1 ZINC000068604724 394582069 /nfs/dbraw/zinc/58/20/69/394582069.db2.gz HPOIYEQILRNVHT-UHFFFAOYSA-N 1 3 262.488 2.206 50 0 CEAAHO COc1ccc2c(c1)CC[C@@H](N1C[C@H]3CC[C@@H](C1)[C@@H]3[NH3+])C2 ZINC000426423792 395075161 /nfs/dbraw/zinc/07/51/61/395075161.db2.gz VKWHQQGJKWDWOI-KYHPRHEASA-N 1 3 286.419 2.222 50 0 CEAAHO COc1ccc2c(c1)CC[C@H](N1C[C@H]3CC[C@@H](C1)[C@@H]3[NH3+])C2 ZINC000426423790 274123877 /nfs/dbraw/zinc/12/38/77/274123877.db2.gz VKWHQQGJKWDWOI-DFGXFYAUSA-N 1 3 286.419 2.222 50 0 CEAAHO NC(=[NH2+])S[C@@H](CN1CCCCC1)C(F)(F)F ZINC000004834803 295006487 /nfs/dbraw/zinc/00/64/87/295006487.db2.gz UIIYDQHVIGFDKF-ZETCQYMHSA-N 1 3 255.309 2.030 50 0 CEAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(CCCOc1ccc(F)cc1)C2 ZINC000534667878 328346079 /nfs/dbraw/zinc/34/60/79/328346079.db2.gz FJNIMXXTVMIOGZ-VIKVFOODSA-N 1 3 278.371 2.264 50 0 CEAAHO Cc1nc2cc(C[NH2+][C@H](C)CCN(C)C)ccc2n1C ZINC000823691026 810625162 /nfs/dbraw/zinc/62/51/62/810625162.db2.gz PXCHZFXRWKFGJA-GFCCVEGCSA-N 1 3 274.412 2.312 50 0 CEAAHO Cc1cnc(CNC2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000067883966 362930473 /nfs/dbraw/zinc/93/04/73/362930473.db2.gz PIXFVUGCIANMQG-UHFFFAOYSA-N 1 3 274.412 2.187 50 0 CEAAHO CN1CCC([N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3)CC1 ZINC000012703720 361396401 /nfs/dbraw/zinc/39/64/01/361396401.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 1 3 291.483 2.279 50 0 CEAAHO CN1CCC([N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3)CC1 ZINC000012703720 361396402 /nfs/dbraw/zinc/39/64/02/361396402.db2.gz LYIOJKAWXXCHMW-GOSISDBHSA-N 1 3 291.483 2.279 50 0 CEAAHO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000093146874 364146537 /nfs/dbraw/zinc/14/65/37/364146537.db2.gz FWZFCNZYDPMRIS-ROUUACIJSA-N 1 3 291.483 2.445 50 0 CEAAHO C[N@H+]1CCCC[C@H]1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000093146874 364146539 /nfs/dbraw/zinc/14/65/39/364146539.db2.gz FWZFCNZYDPMRIS-ROUUACIJSA-N 1 3 291.483 2.445 50 0 CEAAHO C[C@H](CO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000252587016 371458347 /nfs/dbraw/zinc/45/83/47/371458347.db2.gz VDCSGLCDMSBNDG-BZZMCLGOSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252587016 371458352 /nfs/dbraw/zinc/45/83/52/371458352.db2.gz VDCSGLCDMSBNDG-BZZMCLGOSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252587016 371458359 /nfs/dbraw/zinc/45/83/59/371458359.db2.gz VDCSGLCDMSBNDG-BZZMCLGOSA-N 1 3 288.435 2.258 50 0 CEAAHO C[N@H+](CCCO)C1CCN(CC2CCCCC2)CC1 ZINC000304167704 379530107 /nfs/dbraw/zinc/53/01/07/379530107.db2.gz QCXLIAOJMGXADO-UHFFFAOYSA-N 1 3 268.445 2.345 50 0 CEAAHO C[N@@H+](CCCO)C1CCN(CC2CCCCC2)CC1 ZINC000304167704 379530118 /nfs/dbraw/zinc/53/01/18/379530118.db2.gz QCXLIAOJMGXADO-UHFFFAOYSA-N 1 3 268.445 2.345 50 0 CEAAHO CC1(C)[NH2+]CC[C@H]1NCCCc1nc2ccc(F)cc2[nH]1 ZINC000067605922 362912929 /nfs/dbraw/zinc/91/29/29/362912929.db2.gz YVNLVNSTCWRJMS-CQSZACIVSA-N 1 3 290.386 2.365 50 0 CEAAHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000096441545 364424181 /nfs/dbraw/zinc/42/41/81/364424181.db2.gz LVVBSCZNMLIQFW-GJZGRUSLSA-N 1 3 254.418 2.362 50 0 CEAAHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000096441545 364424186 /nfs/dbraw/zinc/42/41/86/364424186.db2.gz LVVBSCZNMLIQFW-GJZGRUSLSA-N 1 3 254.418 2.362 50 0 CEAAHO CCN(CC)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000241383530 370783002 /nfs/dbraw/zinc/78/30/02/370783002.db2.gz MWBWHADSTWGLBP-JKSUJKDBSA-N 1 3 268.445 2.345 50 0 CEAAHO CCN(CC)CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000241383530 370783004 /nfs/dbraw/zinc/78/30/04/370783004.db2.gz MWBWHADSTWGLBP-JKSUJKDBSA-N 1 3 268.445 2.345 50 0 CEAAHO N=C(N)NC(=[NH2+])N(c1ccccc1)c1ccccc1 ZINC000005421536 170097920 /nfs/dbraw/zinc/09/79/20/170097920.db2.gz YCSQZLPVAFDPDM-UHFFFAOYSA-N 1 3 253.309 2.243 50 0 CEAAHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1F ZINC000037502769 173239577 /nfs/dbraw/zinc/23/95/77/173239577.db2.gz YDMVMBAFKRFYFN-ZDUSSCGKSA-N 1 3 278.371 2.408 50 0 CEAAHO CN(Cc1ccccc1Cl)CC1CC[NH+](CCO)CC1 ZINC000071871543 176283519 /nfs/dbraw/zinc/28/35/19/176283519.db2.gz AWPHSFGMLMUQOQ-UHFFFAOYSA-N 1 3 296.842 2.476 50 0 CEAAHO Cc1cccc(CN(C(=O)[C@@H](N)CCCC[NH3+])C(C)C)c1 ZINC000065404868 362818576 /nfs/dbraw/zinc/81/85/76/362818576.db2.gz VYNQOUKYGDYICC-INIZCTEOSA-N 1 3 291.439 2.188 50 0 CEAAHO Cc1cc(C)c2[nH]c(CN3CCC(C[NH3+])CC3)cc(=O)c2c1 ZINC000091817690 180262637 /nfs/dbraw/zinc/26/26/37/180262637.db2.gz LSJKHHJFCIABDL-UHFFFAOYSA-N 1 3 299.418 2.316 50 0 CEAAHO C[C@@H](O)C[NH+]1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000069347270 362960242 /nfs/dbraw/zinc/96/02/42/362960242.db2.gz YRLPWKOJUZTSDZ-LLVKDONJSA-N 1 3 286.803 2.115 50 0 CEAAHO [NH3+]C1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095498336 283414819 /nfs/dbraw/zinc/41/48/19/283414819.db2.gz LDDMAORJKSLRAP-CYBMUJFWSA-N 1 3 260.381 2.051 50 0 CEAAHO C(CSCC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484373 527486782 /nfs/dbraw/zinc/48/67/82/527486782.db2.gz OTEMDEPVMCXJMY-ZIAGYGMSSA-N 1 3 254.443 2.346 50 0 CEAAHO C(CSCC1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484373 527486787 /nfs/dbraw/zinc/48/67/87/527486787.db2.gz OTEMDEPVMCXJMY-ZIAGYGMSSA-N 1 3 254.443 2.346 50 0 CEAAHO CCCN1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000011936653 642917976 /nfs/dbraw/zinc/91/79/76/642917976.db2.gz UUGSPBNHHVEIPS-UHFFFAOYSA-N 1 3 299.422 2.231 50 0 CEAAHO CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)CC ZINC000822551358 810588067 /nfs/dbraw/zinc/58/80/67/810588067.db2.gz GAIGXEKRIGNDKA-CYBMUJFWSA-N 1 3 283.460 2.142 50 0 CEAAHO c1cnn([C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000097103362 344243082 /nfs/dbraw/zinc/24/30/82/344243082.db2.gz UQIZQVLSJZUQHS-INIZCTEOSA-N 1 3 276.428 2.396 50 0 CEAAHO c1cnn([C@H]2CCC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000097103362 344243083 /nfs/dbraw/zinc/24/30/83/344243083.db2.gz UQIZQVLSJZUQHS-INIZCTEOSA-N 1 3 276.428 2.396 50 0 CEAAHO c1cc(N2CCN(CCC[NH+]3CCCCC3)CC2)ccn1 ZINC000097103385 344243460 /nfs/dbraw/zinc/24/34/60/344243460.db2.gz WRIJFGBEWGPDME-UHFFFAOYSA-N 1 3 288.439 2.080 50 0 CEAAHO Cc1ncsc1CN[C@@H]1CC2(CC[NH+](C)CC2)O[C@@H]1C ZINC000585135037 345006240 /nfs/dbraw/zinc/00/62/40/345006240.db2.gz UYDQCJIIQKAFLO-CHWSQXEVSA-N 1 3 295.452 2.183 50 0 CEAAHO Cc1cc(C)c(CN2CC[C@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067724079 362921285 /nfs/dbraw/zinc/92/12/85/362921285.db2.gz SSYFPARTZFUBQX-OAHLLOKOSA-N 1 3 284.407 2.270 50 0 CEAAHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196881 361305361 /nfs/dbraw/zinc/30/53/61/361305361.db2.gz RSTSMVMSMDWOHJ-BZPMIXESSA-N 1 3 276.380 2.234 50 0 CEAAHO CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000030907043 361705095 /nfs/dbraw/zinc/70/50/95/361705095.db2.gz DUSWGTUUCUICEP-OAHLLOKOSA-N 1 3 287.407 2.219 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299753867 394451941 /nfs/dbraw/zinc/45/19/41/394451941.db2.gz ZPICMMNOOZSWKT-OAGGEKHMSA-N 1 3 295.471 2.227 50 0 CEAAHO CCC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299753867 394451945 /nfs/dbraw/zinc/45/19/45/394451945.db2.gz ZPICMMNOOZSWKT-OAGGEKHMSA-N 1 3 295.471 2.227 50 0 CEAAHO N=C1NC(=[NH2+])N(c2cccc(Cl)c2)C2(CCCCC2)N1 ZINC000000063600 295210074 /nfs/dbraw/zinc/21/00/74/295210074.db2.gz OLULEDZFXDUVJO-UHFFFAOYSA-N 1 3 291.786 2.450 50 0 CEAAHO CCc1cc(N2CCC[N@H+](CCO)CC2)c2ccccc2n1 ZINC000124664392 187147970 /nfs/dbraw/zinc/14/79/70/187147970.db2.gz OHFNSLXNCIJQJW-UHFFFAOYSA-N 1 3 299.418 2.302 50 0 CEAAHO CCc1cc(N2CCC[N@@H+](CCO)CC2)c2ccccc2n1 ZINC000124664392 187147971 /nfs/dbraw/zinc/14/79/71/187147971.db2.gz OHFNSLXNCIJQJW-UHFFFAOYSA-N 1 3 299.418 2.302 50 0 CEAAHO Cc1cn2c(C[NH2+]C[C@H]3CCCN(C)C3)c(C)nc2s1 ZINC000044533473 362154140 /nfs/dbraw/zinc/15/41/40/362154140.db2.gz ZAXDOHKFYRJGIA-CYBMUJFWSA-N 1 3 292.452 2.444 50 0 CEAAHO CC(=O)c1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067605685 362913085 /nfs/dbraw/zinc/91/30/85/362913085.db2.gz GGGKHXWMLFZTDU-UHFFFAOYSA-N 1 3 272.392 2.465 50 0 CEAAHO CN(Cc1nc2cc(F)ccc2[nH]1)CC1CC[NH2+]CC1 ZINC000067757999 362922385 /nfs/dbraw/zinc/92/23/85/362922385.db2.gz QZNGPHPDJNKNKY-UHFFFAOYSA-N 1 3 276.359 2.133 50 0 CEAAHO C[NH+](C)CC1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000096403722 256791688 /nfs/dbraw/zinc/79/16/88/256791688.db2.gz QPTRRMMERXUWBP-INIZCTEOSA-N 1 3 280.387 2.133 50 0 CEAAHO C[C@@H]1C[C@](O)(CCNCc2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004785486 170017112 /nfs/dbraw/zinc/01/71/12/170017112.db2.gz JKYJLJRYZGZWSE-BFYDXBDKSA-N 1 3 276.424 2.258 50 0 CEAAHO C[C@@H]1C[C@](O)(CCNCc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004785486 170017115 /nfs/dbraw/zinc/01/71/15/170017115.db2.gz JKYJLJRYZGZWSE-BFYDXBDKSA-N 1 3 276.424 2.258 50 0 CEAAHO Cc1cc(NC[C@H](c2ccco2)N2CCCC2)nc(N)[nH+]1 ZINC000045724079 175382643 /nfs/dbraw/zinc/38/26/43/175382643.db2.gz HYECEHCHILBVJM-GFCCVEGCSA-N 1 3 287.367 2.209 50 0 CEAAHO C[C@H](c1ccccn1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000096490457 230382510 /nfs/dbraw/zinc/38/25/10/230382510.db2.gz VVEGCNCOCXAJAU-OAHLLOKOSA-N 1 3 290.455 2.100 50 0 CEAAHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000047362351 362205886 /nfs/dbraw/zinc/20/58/86/362205886.db2.gz OITOQFOGULWOMR-CYBMUJFWSA-N 1 3 297.406 2.046 50 0 CEAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000065506416 362828681 /nfs/dbraw/zinc/82/86/81/362828681.db2.gz PYQXFVDNFUNVDA-MRXNPFEDSA-N 1 3 289.423 2.419 50 0 CEAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000065506416 362828684 /nfs/dbraw/zinc/82/86/84/362828684.db2.gz PYQXFVDNFUNVDA-MRXNPFEDSA-N 1 3 289.423 2.419 50 0 CEAAHO Cc1ccc2[nH]c(CN3CCC[C@@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000091435024 180154148 /nfs/dbraw/zinc/15/41/48/180154148.db2.gz SHSSTTREMPBZDN-AWEZNQCLSA-N 1 3 299.418 2.397 50 0 CEAAHO Cc1cccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000019889843 361564136 /nfs/dbraw/zinc/56/41/36/361564136.db2.gz LLCRAQVRCMVEIZ-UHFFFAOYSA-N 1 3 287.451 2.207 50 0 CEAAHO C[C@H](C1CCN(Cc2ccc(N(C)C)nc2)CC1)[NH+](C)C ZINC000077488751 177274547 /nfs/dbraw/zinc/27/45/47/177274547.db2.gz YRSBAEICEOORDY-CQSZACIVSA-N 1 3 290.455 2.310 50 0 CEAAHO CC1(C)C[NH2+][C@@H]1C1CCN(Cc2cccnc2)CC1 ZINC000952877148 815073082 /nfs/dbraw/zinc/07/30/82/815073082.db2.gz LYHOONDGZOLKGD-OAHLLOKOSA-N 1 3 259.397 2.292 50 0 CEAAHO CC[C@]1(O)CCCN(CC(C)(C)C[NH+]2CCCC2)C1 ZINC000822691531 810593726 /nfs/dbraw/zinc/59/37/26/810593726.db2.gz BIEFIAPJHGHYBM-INIZCTEOSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[C@]1(O)CCC[N@H+](CC(C)(C)CN2CCCC2)C1 ZINC000822691531 810593736 /nfs/dbraw/zinc/59/37/36/810593736.db2.gz BIEFIAPJHGHYBM-INIZCTEOSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[C@]1(O)CCC[N@@H+](CC(C)(C)CN2CCCC2)C1 ZINC000822691531 810593745 /nfs/dbraw/zinc/59/37/45/810593745.db2.gz BIEFIAPJHGHYBM-INIZCTEOSA-N 1 3 268.445 2.345 50 0 CEAAHO CC(C)[NH+]1CCC(N[C@H](C)[C@H](O)Cc2ccccc2)CC1 ZINC000170593827 344485341 /nfs/dbraw/zinc/48/53/41/344485341.db2.gz QVPSOPALWDXYMD-CRAIPNDOSA-N 1 3 290.451 2.441 50 0 CEAAHO Cc1nc(CC[NH3+])cc(N[C@@H](CN(C)C)c2ccccc2)n1 ZINC000067514396 362909467 /nfs/dbraw/zinc/90/94/67/362909467.db2.gz QPZUDFQBXHKRCE-INIZCTEOSA-N 1 3 299.422 2.001 50 0 CEAAHO COc1ccc(CCN(C)C[C@H]2CC[N@H+](C)C2)cc1OC ZINC000244716218 370796194 /nfs/dbraw/zinc/79/61/94/370796194.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 1 3 292.423 2.130 50 0 CEAAHO COc1ccc(CCN(C)C[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000244716218 370796196 /nfs/dbraw/zinc/79/61/96/370796196.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 1 3 292.423 2.130 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000245338893 370809129 /nfs/dbraw/zinc/80/91/29/370809129.db2.gz PBRCDWOEHACFRP-YALNPMBYSA-N 1 3 276.424 2.347 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000245338893 370809134 /nfs/dbraw/zinc/80/91/34/370809134.db2.gz PBRCDWOEHACFRP-YALNPMBYSA-N 1 3 276.424 2.347 50 0 CEAAHO C[N@@H+]1CCC[C@H](N2CCN(CCC3CCCC3)CC2)C1 ZINC000096424371 394688199 /nfs/dbraw/zinc/68/81/99/394688199.db2.gz ZKHCNPOHVVPWIL-KRWDZBQOSA-N 1 3 279.472 2.279 50 0 CEAAHO C[N@H+]1CCC[C@H](N2CCN(CCC3CCCC3)CC2)C1 ZINC000096424371 394688202 /nfs/dbraw/zinc/68/82/02/394688202.db2.gz ZKHCNPOHVVPWIL-KRWDZBQOSA-N 1 3 279.472 2.279 50 0 CEAAHO CC(C)=CCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000341292947 278661480 /nfs/dbraw/zinc/66/14/80/278661480.db2.gz VQMDCPRZASWERM-CQSZACIVSA-N 1 3 254.418 2.168 50 0 CEAAHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000069514040 362975516 /nfs/dbraw/zinc/97/55/16/362975516.db2.gz SWOOMOUNTNXRFF-GFCCVEGCSA-N 1 3 298.377 2.320 50 0 CEAAHO N=C1NC(=[NH2+])N(c2ccc(Cl)cc2)C2(CCCCC2)N1 ZINC000005589142 303360120 /nfs/dbraw/zinc/36/01/20/303360120.db2.gz HVLCNNIHIPOVOP-UHFFFAOYSA-N 1 3 291.786 2.450 50 0 CEAAHO CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)CC ZINC000822551361 810588526 /nfs/dbraw/zinc/58/85/26/810588526.db2.gz GAIGXEKRIGNDKA-ZDUSSCGKSA-N 1 3 283.460 2.142 50 0 CEAAHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H]1CCCCO1 ZINC000110641384 344269255 /nfs/dbraw/zinc/26/92/55/344269255.db2.gz LVVBSCZNMLIQFW-LSDHHAIUSA-N 1 3 254.418 2.362 50 0 CEAAHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000110641384 344269257 /nfs/dbraw/zinc/26/92/57/344269257.db2.gz LVVBSCZNMLIQFW-LSDHHAIUSA-N 1 3 254.418 2.362 50 0 CEAAHO c1cn(C[C@@H]2CCCC[N@H+]2CCCN2CCCCC2)nn1 ZINC000195572094 344523033 /nfs/dbraw/zinc/52/30/33/344523033.db2.gz AVBPVPRUGVUFQD-INIZCTEOSA-N 1 3 291.443 2.009 50 0 CEAAHO c1cn(C[C@@H]2CCCC[N@@H+]2CCCN2CCCCC2)nn1 ZINC000195572094 344523036 /nfs/dbraw/zinc/52/30/36/344523036.db2.gz AVBPVPRUGVUFQD-INIZCTEOSA-N 1 3 291.443 2.009 50 0 CEAAHO CCc1nn(C)c(Cl)c1CN1CCC2(C1)CC[NH2+]CC2 ZINC000067691686 362920184 /nfs/dbraw/zinc/92/01/84/362920184.db2.gz NIBBJJCELSIZKS-UHFFFAOYSA-N 1 3 296.846 2.211 50 0 CEAAHO Cc1noc(C)c1CNCCC1CC[NH+](C)CC1 ZINC000105454761 186057787 /nfs/dbraw/zinc/05/77/87/186057787.db2.gz UKZFKRVSUXTAKJ-UHFFFAOYSA-N 1 3 251.374 2.113 50 0 CEAAHO CC[NH+]1CCC(NCCc2nc3ccccc3o2)CC1 ZINC000670435276 540407652 /nfs/dbraw/zinc/40/76/52/540407652.db2.gz PAKGBSZDIPJAFV-UHFFFAOYSA-N 1 3 273.380 2.444 50 0 CEAAHO CC1(C)CC([NH2+]CCCn2ccccc2=O)CC(C)(C)N1 ZINC000670460675 540420609 /nfs/dbraw/zinc/42/06/09/540420609.db2.gz BKSHRGVKHRAZEA-UHFFFAOYSA-N 1 3 291.439 2.137 50 0 CEAAHO CC1(C)CC(NCCCn2ccccc2=O)CC(C)(C)[NH2+]1 ZINC000670460675 540420611 /nfs/dbraw/zinc/42/06/11/540420611.db2.gz BKSHRGVKHRAZEA-UHFFFAOYSA-N 1 3 291.439 2.137 50 0 CEAAHO NC(=[NH2+])c1ccc(/C=C/c2ccc(C(N)=[NH2+])cc2[O-])cc1 ZINC000000001547 361116325 /nfs/dbraw/zinc/11/63/25/361116325.db2.gz TUESWZZJYCLFNL-DAFODLJHSA-N 1 3 280.331 2.131 50 0 world CEAAHO N=C(N)NC(=[NH2+])Nc1ccc(Oc2ccccc2)cc1 ZINC000000570135 361186782 /nfs/dbraw/zinc/18/67/82/361186782.db2.gz GOYRWAVRZBZMIR-UHFFFAOYSA-N 1 3 269.308 2.309 50 0 CEAAHO Cc1nccn1CC[N@@H+](C)CC(C)(C)N1CCCCC1 ZINC000216055884 394450840 /nfs/dbraw/zinc/45/08/40/394450840.db2.gz FRKXTGBFVKDUEO-UHFFFAOYSA-N 1 3 278.444 2.388 50 0 CEAAHO Cc1nccn1CC[N@H+](C)CC(C)(C)N1CCCCC1 ZINC000216055884 394450846 /nfs/dbraw/zinc/45/08/46/394450846.db2.gz FRKXTGBFVKDUEO-UHFFFAOYSA-N 1 3 278.444 2.388 50 0 CEAAHO Cc1cc(C)n(C[C@H](C)NCc2ccc(C[NH3+])cc2)n1 ZINC000426712011 230427452 /nfs/dbraw/zinc/42/74/52/230427452.db2.gz INTCQOVQPQRRRF-ZDUSSCGKSA-N 1 3 272.396 2.137 50 0 CEAAHO c1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000042783363 362119748 /nfs/dbraw/zinc/11/97/48/362119748.db2.gz XWIQHTIHDQPJPK-KRWDZBQOSA-N 1 3 287.451 2.194 50 0 CEAAHO Cc1ccc(OCCNCCC[NH3+])c(Br)c1 ZINC000002880929 361256856 /nfs/dbraw/zinc/25/68/56/361256856.db2.gz ZSMSCEMSAAGYNF-UHFFFAOYSA-N 1 3 287.201 2.075 50 0 CEAAHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196882 361305760 /nfs/dbraw/zinc/30/57/60/361305760.db2.gz RSTSMVMSMDWOHJ-DYEKYZERSA-N 1 3 276.380 2.234 50 0 CEAAHO CN1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3)CC1 ZINC000012703725 361396452 /nfs/dbraw/zinc/39/64/52/361396452.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 1 3 291.483 2.279 50 0 CEAAHO CN1CCC([N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3)CC1 ZINC000012703725 361396453 /nfs/dbraw/zinc/39/64/53/361396453.db2.gz LYIOJKAWXXCHMW-SFHVURJKSA-N 1 3 291.483 2.279 50 0 CEAAHO CSCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC000097087867 364445264 /nfs/dbraw/zinc/44/52/64/364445264.db2.gz RRKRBWDGZWAVQN-UHFFFAOYSA-N 1 3 265.426 2.265 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@H](C)N)C2)CCO1 ZINC000225322981 370290585 /nfs/dbraw/zinc/29/05/85/370290585.db2.gz ASNADAZSBVMWTP-YJNKXOJESA-N 1 3 254.418 2.249 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@H](C)N)C2)CCO1 ZINC000225322981 370290589 /nfs/dbraw/zinc/29/05/89/370290589.db2.gz ASNADAZSBVMWTP-YJNKXOJESA-N 1 3 254.418 2.249 50 0 CEAAHO C[NH+]1CCC([C@@H]2CCN(Cc3cccnc3)C2)CC1 ZINC000169792373 395090009 /nfs/dbraw/zinc/09/00/09/395090009.db2.gz QAGAJSDWAZAKAU-MRXNPFEDSA-N 1 3 259.397 2.245 50 0 CEAAHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OC ZINC000037408200 173184102 /nfs/dbraw/zinc/18/41/02/173184102.db2.gz NBOBRYRWXPNJNC-AWEZNQCLSA-N 1 3 290.407 2.278 50 0 CEAAHO c1coc([C@@H](NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000952969742 815084897 /nfs/dbraw/zinc/08/48/97/815084897.db2.gz GSFUJDMXNAWMQX-HWMZRRJGSA-N 1 3 268.360 2.424 50 0 CEAAHO CC[C@@]1(O)CCCN(CC(C)(C)C[NH+]2CCCC2)C1 ZINC000822691532 810593593 /nfs/dbraw/zinc/59/35/93/810593593.db2.gz BIEFIAPJHGHYBM-MRXNPFEDSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[C@@]1(O)CCC[N@H+](CC(C)(C)CN2CCCC2)C1 ZINC000822691532 810593599 /nfs/dbraw/zinc/59/35/99/810593599.db2.gz BIEFIAPJHGHYBM-MRXNPFEDSA-N 1 3 268.445 2.345 50 0 CEAAHO CC[C@@]1(O)CCC[N@@H+](CC(C)(C)CN2CCCC2)C1 ZINC000822691532 810593603 /nfs/dbraw/zinc/59/36/03/810593603.db2.gz BIEFIAPJHGHYBM-MRXNPFEDSA-N 1 3 268.445 2.345 50 0 CEAAHO Cc1cc(N2CCN(C)[C@H](C)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000823795752 810629022 /nfs/dbraw/zinc/62/90/22/810629022.db2.gz NRMLYPBLYVAJHH-GFCCVEGCSA-N 1 3 299.374 2.412 50 0 CEAAHO CC(C)(C)c1cc(CN2CCC3(C2)CC[NH2+]CC3)[nH]n1 ZINC000067674751 362915937 /nfs/dbraw/zinc/91/59/37/362915937.db2.gz VAWZNVQKQMYBFJ-UHFFFAOYSA-N 1 3 276.428 2.283 50 0 CEAAHO C[C@H](NCC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000069514037 362974776 /nfs/dbraw/zinc/97/47/76/362974776.db2.gz SWOOMOUNTNXRFF-LBPRGKRZSA-N 1 3 298.377 2.320 50 0 CEAAHO C[C@H]1CN(Cc2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC000685944147 540636246 /nfs/dbraw/zinc/63/62/46/540636246.db2.gz RMYXAMDBOLIOHQ-AWEZNQCLSA-N 1 3 260.381 2.030 50 0 CEAAHO Cc1cnccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358249995 370972017 /nfs/dbraw/zinc/97/20/17/370972017.db2.gz KRVUXSIRONEJNX-CVEARBPZSA-N 1 3 259.397 2.149 50 0 CEAAHO Cc1cnccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358249995 370972021 /nfs/dbraw/zinc/97/20/21/370972021.db2.gz KRVUXSIRONEJNX-CVEARBPZSA-N 1 3 259.397 2.149 50 0 CEAAHO CC[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC000363827618 156041698 /nfs/dbraw/zinc/04/16/98/156041698.db2.gz PYEOKMCKEGBULL-INIZCTEOSA-N 1 3 295.471 2.097 50 0 CEAAHO C[C@@H](C1CCN(Cc2cnc[nH]2)CC1)[NH+]1CCCC1 ZINC000072407938 176397895 /nfs/dbraw/zinc/39/78/95/176397895.db2.gz WDDJJGDXEQHWAF-ZDUSSCGKSA-N 1 3 262.401 2.106 50 0 CEAAHO CCNC(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048565368 279469286 /nfs/dbraw/zinc/46/92/86/279469286.db2.gz GWQTUJWEMYFPTJ-UHFFFAOYSA-N 1 3 295.471 2.101 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299752808 280272850 /nfs/dbraw/zinc/27/28/50/280272850.db2.gz VNKHRGGRTTZTHI-OAGGEKHMSA-N 1 3 295.471 2.083 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299752808 280272851 /nfs/dbraw/zinc/27/28/51/280272851.db2.gz VNKHRGGRTTZTHI-OAGGEKHMSA-N 1 3 295.471 2.083 50 0 CEAAHO C/C=C(\C)CN1CC[C@@]2(C1)CCC[N@@H+](CCOC)C2 ZINC000012470617 643388534 /nfs/dbraw/zinc/38/85/34/643388534.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 1 3 266.429 2.387 50 0 CEAAHO C/C=C(\C)CN1CC[C@@]2(C1)CCC[N@H+](CCOC)C2 ZINC000012470617 643388536 /nfs/dbraw/zinc/38/85/36/643388536.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 1 3 266.429 2.387 50 0 CEAAHO CN(Cc1ccno1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067491108 813105616 /nfs/dbraw/zinc/10/56/16/813105616.db2.gz JLXBQDNIIURFIV-UHFFFAOYSA-N 1 3 263.385 2.419 50 0 CEAAHO Cc1ncsc1CN[C@@H]1CC2(CC[NH+](C)CC2)O[C@H]1C ZINC000585135039 345006712 /nfs/dbraw/zinc/00/67/12/345006712.db2.gz UYDQCJIIQKAFLO-QWHCGFSZSA-N 1 3 295.452 2.183 50 0 CEAAHO CN(C)Cc1csc(-c2nccn2CC[NH+](C)C)c1 ZINC000067786354 362924495 /nfs/dbraw/zinc/92/44/95/362924495.db2.gz VHSATOJICRQJDO-UHFFFAOYSA-N 1 3 278.425 2.235 50 0 CEAAHO Cc1ccc2[nH]c(CN3CCC[C@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000091435022 180154589 /nfs/dbraw/zinc/15/45/89/180154589.db2.gz SHSSTTREMPBZDN-CQSZACIVSA-N 1 3 299.418 2.397 50 0 CEAAHO CCCN1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000048331214 400194368 /nfs/dbraw/zinc/19/43/68/400194368.db2.gz YDMJBOZCEMTKMY-OAHLLOKOSA-N 1 3 298.377 2.462 50 0 CEAAHO C/C=C(\C)CN1CC[C@]2(C1)CCC[N@@H+](CCOC)C2 ZINC000012470611 643388163 /nfs/dbraw/zinc/38/81/63/643388163.db2.gz JTVZWVKKRCPVQE-UDCCBSLUSA-N 1 3 266.429 2.387 50 0 CEAAHO C/C=C(\C)CN1CC[C@]2(C1)CCC[N@H+](CCOC)C2 ZINC000012470611 643388167 /nfs/dbraw/zinc/38/81/67/643388167.db2.gz JTVZWVKKRCPVQE-UDCCBSLUSA-N 1 3 266.429 2.387 50 0 CEAAHO CCCO[C@H]1CCCN(C2CC[NH+](CC)CC2)C1 ZINC000032603463 361745330 /nfs/dbraw/zinc/74/53/30/361745330.db2.gz HSDYLHISCXSTJT-HNNXBMFYSA-N 1 3 254.418 2.362 50 0 CEAAHO Cc1cc(C)c(CN2CC[C@@H](C[NH3+])C2)c(-n2cccn2)c1 ZINC000067724082 362921648 /nfs/dbraw/zinc/92/16/48/362921648.db2.gz SSYFPARTZFUBQX-HNNXBMFYSA-N 1 3 284.407 2.270 50 0 CEAAHO c1cc(CNC2CCC([NH+]3CCCCC3)CC2)n[nH]1 ZINC000080347786 363658847 /nfs/dbraw/zinc/65/88/47/363658847.db2.gz HCQLCZFDXDBKOF-UHFFFAOYSA-N 1 3 262.401 2.296 50 0 CEAAHO Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(N)n1 ZINC000012741227 278733306 /nfs/dbraw/zinc/73/33/06/278733306.db2.gz ZGUVZSRDDCWIBJ-UHFFFAOYSA-N 1 3 263.389 2.088 50 0 CEAAHO c1ccc(COCCCN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534592641 328318649 /nfs/dbraw/zinc/31/86/49/328318649.db2.gz CGWUEIOZLIKTAQ-USTZCAOPSA-N 1 3 286.419 2.276 50 0 CEAAHO CC1(C)C[NH2+][C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000952877142 815072819 /nfs/dbraw/zinc/07/28/19/815072819.db2.gz LYHOONDGZOLKGD-HNNXBMFYSA-N 1 3 259.397 2.292 50 0 CEAAHO Oc1ccccc1CCNC1CC[NH+](CC2CC2)CC1 ZINC000154927366 188170712 /nfs/dbraw/zinc/17/07/12/188170712.db2.gz AXDFDUGEVMGLJI-UHFFFAOYSA-N 1 3 274.408 2.399 50 0 CEAAHO Cc1nc(CN2CCC[C@H](CC[NH3+])C2)sc1C ZINC000094970078 364320038 /nfs/dbraw/zinc/32/00/38/364320038.db2.gz SQDJXWHCPYKLLL-GFCCVEGCSA-N 1 3 253.415 2.321 50 0 CEAAHO Cc1cc(C)c(C[NH+]2CCC2)cc1CN1CCN(C)CC1 ZINC000215229236 370175476 /nfs/dbraw/zinc/17/54/76/370175476.db2.gz RHTKPNUAWRICGN-UHFFFAOYSA-N 1 3 287.451 2.257 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236722227 394486598 /nfs/dbraw/zinc/48/65/98/394486598.db2.gz VNKHRGGRTTZTHI-JYJNAYRXSA-N 1 3 295.471 2.083 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236722227 394486599 /nfs/dbraw/zinc/48/65/99/394486599.db2.gz VNKHRGGRTTZTHI-JYJNAYRXSA-N 1 3 295.471 2.083 50 0 CEAAHO C[C@H]1CCCCN1C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056522557 362560955 /nfs/dbraw/zinc/56/09/55/362560955.db2.gz UZONUTIZZBBHCT-HNNXBMFYSA-N 1 3 295.471 2.051 50 0 CEAAHO Cc1cc(N2CCC([C@H](C)N3CCOCC3)CC2)cc[nH+]1 ZINC000095357145 364344996 /nfs/dbraw/zinc/34/49/96/364344996.db2.gz COOOUHIQSKOZGT-HNNXBMFYSA-N 1 3 289.423 2.327 50 0 CEAAHO COc1ccc(CCN(C)C[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000244716217 370796150 /nfs/dbraw/zinc/79/61/50/370796150.db2.gz LKSWHIGMAPQIBN-HNNXBMFYSA-N 1 3 292.423 2.130 50 0 CEAAHO COc1ccc(CCN(C)C[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000244716217 370796154 /nfs/dbraw/zinc/79/61/54/370796154.db2.gz LKSWHIGMAPQIBN-HNNXBMFYSA-N 1 3 292.423 2.130 50 0 CEAAHO CC(C)Cn1cncc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000244735135 370797311 /nfs/dbraw/zinc/79/73/11/370797311.db2.gz NTJGDHZCTSFLPW-UHFFFAOYSA-N 1 3 276.428 2.115 50 0 CEAAHO Cc1cnccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358249996 370971275 /nfs/dbraw/zinc/97/12/75/370971275.db2.gz KRVUXSIRONEJNX-HOTGVXAUSA-N 1 3 259.397 2.149 50 0 CEAAHO Cc1cnccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358249996 370971280 /nfs/dbraw/zinc/97/12/80/370971280.db2.gz KRVUXSIRONEJNX-HOTGVXAUSA-N 1 3 259.397 2.149 50 0 CEAAHO COCCNC[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019735514 285082081 /nfs/dbraw/zinc/08/20/81/285082081.db2.gz YWJBFFLJYSZCJL-OAHLLOKOSA-N 1 3 288.435 2.102 50 0 CEAAHO COCCNC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019735514 285082084 /nfs/dbraw/zinc/08/20/84/285082084.db2.gz YWJBFFLJYSZCJL-OAHLLOKOSA-N 1 3 288.435 2.102 50 0 CEAAHO COCC[NH2+]C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000019735514 285082086 /nfs/dbraw/zinc/08/20/86/285082086.db2.gz YWJBFFLJYSZCJL-OAHLLOKOSA-N 1 3 288.435 2.102 50 0 CEAAHO C[C@H](CO)C1CCN(CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000828652182 810828362 /nfs/dbraw/zinc/82/83/62/810828362.db2.gz WTSIMOPUNUZTON-OAHLLOKOSA-N 1 3 282.472 2.449 50 0 CEAAHO C[C@H](CO)C1CC[NH+](CC(C)(C)CN2CCCC2)CC1 ZINC000828652182 810828374 /nfs/dbraw/zinc/82/83/74/810828374.db2.gz WTSIMOPUNUZTON-OAHLLOKOSA-N 1 3 282.472 2.449 50 0 CEAAHO CCO[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000097103366 344243336 /nfs/dbraw/zinc/24/33/36/344243336.db2.gz KVSGZWYYLHNBNQ-OAHLLOKOSA-N 1 3 254.418 2.363 50 0 CEAAHO CCO[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000097103366 344243339 /nfs/dbraw/zinc/24/33/39/344243339.db2.gz KVSGZWYYLHNBNQ-OAHLLOKOSA-N 1 3 254.418 2.363 50 0 CEAAHO c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CCOC1 ZINC000584894814 345001500 /nfs/dbraw/zinc/00/15/00/345001500.db2.gz OPWAFDUSKHFJAN-MRXNPFEDSA-N 1 3 260.381 2.161 50 0 CEAAHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004196883 361305544 /nfs/dbraw/zinc/30/55/44/361305544.db2.gz RSTSMVMSMDWOHJ-YRGRVCCFSA-N 1 3 276.380 2.234 50 0 CEAAHO Cc1ncc(CN(C)Cc2ccccc2C[NH+](C)C)[nH]1 ZINC000215003648 370171373 /nfs/dbraw/zinc/17/13/73/370171373.db2.gz KJLOWIBNKOEEJK-UHFFFAOYSA-N 1 3 272.396 2.412 50 0 CEAAHO COc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)c(OC)c1 ZINC000044535839 175198614 /nfs/dbraw/zinc/19/86/14/175198614.db2.gz AIYGGECETMCSMK-CYBMUJFWSA-N 1 3 278.396 2.135 50 0 CEAAHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CCO)c1ccccc1 ZINC000863984664 646865340 /nfs/dbraw/zinc/86/53/40/646865340.db2.gz YBAREVMPHJKUCI-XNHLSEOASA-N 1 3 288.435 2.082 50 0 CEAAHO COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299771039 379133198 /nfs/dbraw/zinc/13/31/98/379133198.db2.gz RGZUKQKWGAVGQI-HNNXBMFYSA-N 1 3 290.407 2.027 50 0 CEAAHO COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299771039 379133203 /nfs/dbraw/zinc/13/32/03/379133203.db2.gz RGZUKQKWGAVGQI-HNNXBMFYSA-N 1 3 290.407 2.027 50 0 CEAAHO CC[C@@H](C)C[N@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299796635 379141851 /nfs/dbraw/zinc/14/18/51/379141851.db2.gz NHYYMBDKQRJPDO-MRXNPFEDSA-N 1 3 295.471 2.053 50 0 CEAAHO CC[C@@H](C)C[N@@H+]1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299796635 379141863 /nfs/dbraw/zinc/14/18/63/379141863.db2.gz NHYYMBDKQRJPDO-MRXNPFEDSA-N 1 3 295.471 2.053 50 0 CEAAHO Cc1cccc(C)c1NC(=O)CN(C)CC1CC[NH2+]CC1 ZINC000094024613 394670458 /nfs/dbraw/zinc/67/04/58/394670458.db2.gz BOPYMNKCBADLIL-UHFFFAOYSA-N 1 3 289.423 2.173 50 0 CEAAHO Cc1cc(CN2CC[C@H](C[NH3+])C2)c(C)n1-c1cccnc1 ZINC000067879503 641351233 /nfs/dbraw/zinc/35/12/33/641351233.db2.gz JPLWCFXQVUPXIC-OAHLLOKOSA-N 1 3 284.407 2.270 50 0 CEAAHO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000047362349 362205784 /nfs/dbraw/zinc/20/57/84/362205784.db2.gz OITOQFOGULWOMR-ZDUSSCGKSA-N 1 3 297.406 2.046 50 0 CEAAHO [NH3+][C@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 ZINC000066323544 362861370 /nfs/dbraw/zinc/86/13/70/362861370.db2.gz ZNUBNUJFQABQLK-HNNXBMFYSA-N 1 3 260.381 2.159 50 0 CEAAHO CC(=O)c1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067817554 362927127 /nfs/dbraw/zinc/92/71/27/362927127.db2.gz LPJNTVSJHIVUNB-UHFFFAOYSA-N 1 3 272.392 2.465 50 0 CEAAHO Cc1c[nH+]ccc1N1CCN([C@H](C)CCn2cccn2)CC1 ZINC000670473446 540429956 /nfs/dbraw/zinc/42/99/56/540429956.db2.gz YHOZYLANWUDTEL-MRXNPFEDSA-N 1 3 299.422 2.187 50 0 CEAAHO CCCN1CCC([NH2+]CC(C)(C)CN(C)C)CC1 ZINC000003683614 361288601 /nfs/dbraw/zinc/28/86/01/361288601.db2.gz YHZRQPWHDOQGPE-UHFFFAOYSA-N 1 3 255.450 2.038 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000090520889 364062441 /nfs/dbraw/zinc/06/24/41/364062441.db2.gz PBRCDWOEHACFRP-XJNFMUPTSA-N 1 3 276.424 2.347 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090520889 364062449 /nfs/dbraw/zinc/06/24/49/364062449.db2.gz PBRCDWOEHACFRP-XJNFMUPTSA-N 1 3 276.424 2.347 50 0 CEAAHO C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000252585603 371458395 /nfs/dbraw/zinc/45/83/95/371458395.db2.gz JTPIPHFYWWHHNE-DZJNRPSUSA-N 1 3 288.435 2.258 50 0 CEAAHO N[C@H]1CCC[N@H+](CCCCOCc2ccccc2)C1 ZINC000390750875 375313178 /nfs/dbraw/zinc/31/31/78/375313178.db2.gz SGOLMZVIJBOGJH-INIZCTEOSA-N 1 3 262.397 2.407 50 0 CEAAHO N[C@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000390750875 375313183 /nfs/dbraw/zinc/31/31/83/375313183.db2.gz SGOLMZVIJBOGJH-INIZCTEOSA-N 1 3 262.397 2.407 50 0 CEAAHO CCN(CC)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000170612342 279096092 /nfs/dbraw/zinc/09/60/92/279096092.db2.gz MWBWHADSTWGLBP-CVEARBPZSA-N 1 3 268.445 2.345 50 0 CEAAHO CCN(CC)CCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000170612342 279096093 /nfs/dbraw/zinc/09/60/93/279096093.db2.gz MWBWHADSTWGLBP-CVEARBPZSA-N 1 3 268.445 2.345 50 0 CEAAHO c1cnn([C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000097103361 344242981 /nfs/dbraw/zinc/24/29/81/344242981.db2.gz UQIZQVLSJZUQHS-MRXNPFEDSA-N 1 3 276.428 2.396 50 0 CEAAHO c1cnn([C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000097103361 344242982 /nfs/dbraw/zinc/24/29/82/344242982.db2.gz UQIZQVLSJZUQHS-MRXNPFEDSA-N 1 3 276.428 2.396 50 0 CEAAHO C[C@@H]1C[C@@](O)(CCNCc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013381834 361426054 /nfs/dbraw/zinc/42/60/54/361426054.db2.gz JKYJLJRYZGZWSE-UXLLHSPISA-N 1 3 276.424 2.258 50 0 CEAAHO C[C@@H]1C[C@@](O)(CCNCc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013381834 361426059 /nfs/dbraw/zinc/42/60/59/361426059.db2.gz JKYJLJRYZGZWSE-UXLLHSPISA-N 1 3 276.424 2.258 50 0 CEAAHO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C)CC1 ZINC000071384710 176147104 /nfs/dbraw/zinc/14/71/04/176147104.db2.gz AMMRMUQDXZHKII-MRXNPFEDSA-N 1 3 295.471 2.099 50 0 CEAAHO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C)CC1 ZINC000071384710 176147105 /nfs/dbraw/zinc/14/71/05/176147105.db2.gz AMMRMUQDXZHKII-MRXNPFEDSA-N 1 3 295.471 2.099 50 0 CEAAHO C[NH+](C)CCCOc1cccc(CN2CC=CC2)c1 ZINC000823692359 810625578 /nfs/dbraw/zinc/62/55/78/810625578.db2.gz HXQOBASAAPNARN-UHFFFAOYSA-N 1 3 260.381 2.389 50 0 CEAAHO Cc1nc2cc(C[NH2+][C@@H](C)CCN(C)C)ccc2n1C ZINC000823691027 810626336 /nfs/dbraw/zinc/62/63/36/810626336.db2.gz PXCHZFXRWKFGJA-LBPRGKRZSA-N 1 3 274.412 2.312 50 0 CEAAHO C[C@H](O)C[NH+]1CCC(CNCc2c(F)cccc2F)CC1 ZINC000069347482 362960216 /nfs/dbraw/zinc/96/02/16/362960216.db2.gz WDWGTCLZJTVRMR-LBPRGKRZSA-N 1 3 298.377 2.147 50 0 CEAAHO C[C@@H]1C[C@](O)(CCNCc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013381836 361425916 /nfs/dbraw/zinc/42/59/16/361425916.db2.gz JKYJLJRYZGZWSE-ZMSDIMECSA-N 1 3 276.424 2.258 50 0 CEAAHO C[C@@H]1C[C@](O)(CCNCc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013381836 361425922 /nfs/dbraw/zinc/42/59/22/361425922.db2.gz JKYJLJRYZGZWSE-ZMSDIMECSA-N 1 3 276.424 2.258 50 0 CEAAHO CN(C)Cc1csc(C[N@H+](C)CCn2ccnc2)c1 ZINC000215290606 370175060 /nfs/dbraw/zinc/17/50/60/370175060.db2.gz UUWOICIHPLUKMS-UHFFFAOYSA-N 1 3 278.425 2.138 50 0 CEAAHO CN(C)Cc1csc(C[N@@H+](C)CCn2ccnc2)c1 ZINC000215290606 370175066 /nfs/dbraw/zinc/17/50/66/370175066.db2.gz UUWOICIHPLUKMS-UHFFFAOYSA-N 1 3 278.425 2.138 50 0 CEAAHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H]1CCCCO1 ZINC000248117110 371161938 /nfs/dbraw/zinc/16/19/38/371161938.db2.gz LVVBSCZNMLIQFW-HUUCEWRRSA-N 1 3 254.418 2.362 50 0 CEAAHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000248117110 371161941 /nfs/dbraw/zinc/16/19/41/371161941.db2.gz LVVBSCZNMLIQFW-HUUCEWRRSA-N 1 3 254.418 2.362 50 0 CEAAHO NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941927 394466792 /nfs/dbraw/zinc/46/67/92/394466792.db2.gz MGIDJIAQVXHRBE-QGZVFWFLSA-N 1 3 287.451 2.322 50 0 CEAAHO NC[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000016941927 394466800 /nfs/dbraw/zinc/46/68/00/394466800.db2.gz MGIDJIAQVXHRBE-QGZVFWFLSA-N 1 3 287.451 2.322 50 0 CEAAHO CC(C)[NH+]1CCC2(CC1)CNCc1ccccc1O2 ZINC000169676392 275627369 /nfs/dbraw/zinc/62/73/69/275627369.db2.gz LYNMWSYYXCMTHY-UHFFFAOYSA-N 1 3 260.381 2.412 50 0 CEAAHO CCN(Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@H+](C)C1 ZINC000065376132 362812063 /nfs/dbraw/zinc/81/20/63/362812063.db2.gz ABIUMVGXFXIFEG-HNNXBMFYSA-N 1 3 274.408 2.395 50 0 CEAAHO CCN(Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@@H+](C)C1 ZINC000065376132 362812068 /nfs/dbraw/zinc/81/20/68/362812068.db2.gz ABIUMVGXFXIFEG-HNNXBMFYSA-N 1 3 274.408 2.395 50 0 CEAAHO c1csc(CN2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000072431848 363135779 /nfs/dbraw/zinc/13/57/79/363135779.db2.gz UUCDXTRAIIGPHB-OAHLLOKOSA-N 1 3 293.480 2.255 50 0 CEAAHO C[C@H](Cc1ccc(OCCN(C)C)cc1)[NH+](C)C ZINC000000347814 361163967 /nfs/dbraw/zinc/16/39/67/361163967.db2.gz XIOSTRKJALJLBZ-CYBMUJFWSA-N 1 3 250.386 2.120 50 0 CEAAHO Cc1cc(F)ccc1N1CCC([N@@H+]2CCCNCC2)CC1 ZINC000426523356 377414189 /nfs/dbraw/zinc/41/41/89/377414189.db2.gz DPFXBNQGDGFCDN-UHFFFAOYSA-N 1 3 291.414 2.398 50 0 CEAAHO Cc1cc(F)ccc1N1CCC([N@H+]2CCCNCC2)CC1 ZINC000426523356 377414193 /nfs/dbraw/zinc/41/41/93/377414193.db2.gz DPFXBNQGDGFCDN-UHFFFAOYSA-N 1 3 291.414 2.398 50 0 CEAAHO C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CNCCO2 ZINC000299760599 379130187 /nfs/dbraw/zinc/13/01/87/379130187.db2.gz VHBSURQROMRGLL-UHFFFAOYSA-N 1 3 297.402 2.238 50 0 CEAAHO C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CNCCO2 ZINC000299760599 379130197 /nfs/dbraw/zinc/13/01/97/379130197.db2.gz VHBSURQROMRGLL-UHFFFAOYSA-N 1 3 297.402 2.238 50 0 CEAAHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000195548193 395467927 /nfs/dbraw/zinc/46/79/27/395467927.db2.gz FWZFCNZYDPMRIS-QZTJIDSGSA-N 1 3 291.483 2.445 50 0 CEAAHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000195548193 395467929 /nfs/dbraw/zinc/46/79/29/395467929.db2.gz FWZFCNZYDPMRIS-QZTJIDSGSA-N 1 3 291.483 2.445 50 0 CEAAHO Cc1nccn1C[C@@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000821758639 810572402 /nfs/dbraw/zinc/57/24/02/810572402.db2.gz UJIWGDKHUWFCKA-OAHLLOKOSA-N 1 3 299.422 2.106 50 0 CEAAHO Cc1ccc(CN2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)s1 ZINC000169788993 344482683 /nfs/dbraw/zinc/48/26/83/344482683.db2.gz FWMAYCNTXNJDSM-HOCLYGCPSA-N 1 3 294.464 2.096 50 0 CEAAHO CC(C)[NH+]1CCC(N[C@H](C)[C@@H](O)Cc2ccccc2)CC1 ZINC000170593829 344484936 /nfs/dbraw/zinc/48/49/36/344484936.db2.gz QVPSOPALWDXYMD-QAPCUYQASA-N 1 3 290.451 2.441 50 0 CEAAHO CCN(CC)[C@@H](CNC1CC[NH+](C)CC1)c1ccco1 ZINC000065433320 362822920 /nfs/dbraw/zinc/82/29/20/362822920.db2.gz ZJIQCUFWXLILFO-HNNXBMFYSA-N 1 3 279.428 2.346 50 0 CEAAHO CCN(CC)[C@@H](C[NH2+]C1CCN(C)CC1)c1ccco1 ZINC000065433320 362822926 /nfs/dbraw/zinc/82/29/26/362822926.db2.gz ZJIQCUFWXLILFO-HNNXBMFYSA-N 1 3 279.428 2.346 50 0 CEAAHO CCN1CCC([NH2+]Cc2ccc3[nH]c(C)nc3c2)CC1 ZINC000670472373 540429386 /nfs/dbraw/zinc/42/93/86/540429386.db2.gz QHGQKPYHNNZREG-UHFFFAOYSA-N 1 3 272.396 2.445 50 0 CEAAHO CCN1CCC([NH2+]Cc2ccc3nc(C)[nH]c3c2)CC1 ZINC000670472373 540429388 /nfs/dbraw/zinc/42/93/88/540429388.db2.gz QHGQKPYHNNZREG-UHFFFAOYSA-N 1 3 272.396 2.445 50 0 CEAAHO COCC[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC000019735511 361548296 /nfs/dbraw/zinc/54/82/96/361548296.db2.gz GOGDDEOWRYTYMJ-UHFFFAOYSA-N 1 3 280.387 2.274 50 0 CEAAHO CCCN1CCC([N@H+](C)C[C@@H]2CCCN(C)C2)CC1 ZINC000097022014 364427658 /nfs/dbraw/zinc/42/76/58/364427658.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 1 3 267.461 2.134 50 0 CEAAHO CCCN1CCC([N@@H+](C)C[C@@H]2CCCN(C)C2)CC1 ZINC000097022014 364427661 /nfs/dbraw/zinc/42/76/61/364427661.db2.gz XHBQZJOFZMPXST-OAHLLOKOSA-N 1 3 267.461 2.134 50 0 CEAAHO C[N@H+]1C[C@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]2C1 ZINC000194539776 370049395 /nfs/dbraw/zinc/04/93/95/370049395.db2.gz BWWZKYGWXJWESP-OKILXGFUSA-N 1 3 255.365 2.161 50 0 CEAAHO C[N@@H+]1C[C@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]2C1 ZINC000194539776 370049400 /nfs/dbraw/zinc/04/94/00/370049400.db2.gz BWWZKYGWXJWESP-OKILXGFUSA-N 1 3 255.365 2.161 50 0 CEAAHO CC(C)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000020203428 394472406 /nfs/dbraw/zinc/47/24/06/394472406.db2.gz NWJLPKXVTXQBJJ-ZIAGYGMSSA-N 1 3 254.418 2.216 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000236723242 394486568 /nfs/dbraw/zinc/48/65/68/394486568.db2.gz VNKHRGGRTTZTHI-XHSDSOJGSA-N 1 3 295.471 2.083 50 0 CEAAHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000236723242 394486572 /nfs/dbraw/zinc/48/65/72/394486572.db2.gz VNKHRGGRTTZTHI-XHSDSOJGSA-N 1 3 295.471 2.083 50 0 CEAAHO CC(C)C[N@@H+]1CCC[C@@H](CCNC(=O)C2(N)CCCC2)C1 ZINC000067723034 277390203 /nfs/dbraw/zinc/39/02/03/277390203.db2.gz KBGLJDQGIPFZFE-HNNXBMFYSA-N 1 3 295.471 2.132 50 0 CEAAHO CC(C)C[N@H+]1CCC[C@@H](CCNC(=O)C2(N)CCCC2)C1 ZINC000067723034 277390204 /nfs/dbraw/zinc/39/02/04/277390204.db2.gz KBGLJDQGIPFZFE-HNNXBMFYSA-N 1 3 295.471 2.132 50 0 CEAAHO Cc1cc(C)n(-c2ccccc2CN2CC[C@@H](C[NH3+])C2)n1 ZINC000534647958 328343065 /nfs/dbraw/zinc/34/30/65/328343065.db2.gz DKKZXNKLLABEIY-HNNXBMFYSA-N 1 3 284.407 2.270 50 0 CEAAHO Cc1nccn1C[C@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000821758638 810572472 /nfs/dbraw/zinc/57/24/72/810572472.db2.gz UJIWGDKHUWFCKA-HNNXBMFYSA-N 1 3 299.422 2.106 50 0 CEAAHO CCn1ncnc1[C@@H](C)NC1CCC2(CC[NH2+]CC2)CC1 ZINC000067880835 362929666 /nfs/dbraw/zinc/92/96/66/362929666.db2.gz MHAQEWXDOJNMSC-CYBMUJFWSA-N 1 3 291.443 2.261 50 0 CEAAHO [NH3+]Cc1ccc(CNC2CSCCSC2)cc1 ZINC000426683978 283529487 /nfs/dbraw/zinc/52/94/87/283529487.db2.gz VSRWJFCMIKMJBX-UHFFFAOYSA-N 1 3 268.451 2.084 50 0 CEAAHO CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@@H+]2CCN)cc1 ZINC000097463406 364506076 /nfs/dbraw/zinc/50/60/76/364506076.db2.gz LIYIADSINKUERW-JCVNQNCUSA-N 1 3 288.391 2.359 50 0 CEAAHO CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@H+]2CCN)cc1 ZINC000097463406 364506078 /nfs/dbraw/zinc/50/60/78/364506078.db2.gz LIYIADSINKUERW-JCVNQNCUSA-N 1 3 288.391 2.359 50 0 CEAAHO CN1CCC[N@H+](C)CC12CCN(Cc1ccsc1)CC2 ZINC000215765030 400305534 /nfs/dbraw/zinc/30/55/34/400305534.db2.gz MGGRBLWJLLJWRD-UHFFFAOYSA-N 1 3 293.480 2.350 50 0 CEAAHO CN1CCC[N@@H+](C)CC12CCN(Cc1ccsc1)CC2 ZINC000215765030 400305535 /nfs/dbraw/zinc/30/55/35/400305535.db2.gz MGGRBLWJLLJWRD-UHFFFAOYSA-N 1 3 293.480 2.350 50 0 CEAAHO CNCC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000071753059 260273485 /nfs/dbraw/zinc/27/34/85/260273485.db2.gz KJBFCGNBQUFPJA-INIZCTEOSA-N 1 3 289.423 2.021 50 0 CEAAHO O[C@@]1(CN2CCCCC2)CC[N@H+](CCc2ccccc2)C1 ZINC000077438017 363547416 /nfs/dbraw/zinc/54/74/16/363547416.db2.gz GPCVIHUYTQLWEF-GOSISDBHSA-N 1 3 288.435 2.152 50 0 CEAAHO O[C@@]1(CN2CCCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000077438017 363547420 /nfs/dbraw/zinc/54/74/20/363547420.db2.gz GPCVIHUYTQLWEF-GOSISDBHSA-N 1 3 288.435 2.152 50 0 CEAAHO CC[NH+](CC)CCN1c2ccccc2N2CCN=C12 ZINC000002196980 361230381 /nfs/dbraw/zinc/23/03/81/361230381.db2.gz AQUZIHYIKZOILJ-UHFFFAOYSA-N 1 3 258.369 2.024 50 0 CEAAHO OCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000221770853 370244552 /nfs/dbraw/zinc/24/45/52/370244552.db2.gz MMUWRUWNHDGEMC-FGTMMUONSA-N 1 3 288.435 2.259 50 0 CEAAHO C[C@H](C1CCN(Cc2cnc[nH]2)CC1)[NH+]1CCCC1 ZINC000072407939 176397931 /nfs/dbraw/zinc/39/79/31/176397931.db2.gz WDDJJGDXEQHWAF-CYBMUJFWSA-N 1 3 262.401 2.106 50 0 CEAAHO Cc1cnccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090846705 344144247 /nfs/dbraw/zinc/14/42/47/344144247.db2.gz KRVUXSIRONEJNX-HZPDHXFCSA-N 1 3 259.397 2.149 50 0 CEAAHO Cc1cnccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090846705 344144248 /nfs/dbraw/zinc/14/42/48/344144248.db2.gz KRVUXSIRONEJNX-HZPDHXFCSA-N 1 3 259.397 2.149 50 0 CEAAHO CCn1ccc2ccc(CN3CC[C@H](C[NH3+])C3)cc21 ZINC000071754412 363112293 /nfs/dbraw/zinc/11/22/93/363112293.db2.gz JQHKFCCDVBZDOK-CQSZACIVSA-N 1 3 257.381 2.442 50 0 CEAAHO Cc1cc(C)n(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000241795552 370785522 /nfs/dbraw/zinc/78/55/22/370785522.db2.gz SABXMRQJRIUHDE-HOTGVXAUSA-N 1 3 276.428 2.106 50 0 CEAAHO Cc1cc(C)n(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000241795552 370785528 /nfs/dbraw/zinc/78/55/28/370785528.db2.gz SABXMRQJRIUHDE-HOTGVXAUSA-N 1 3 276.428 2.106 50 0 CEAAHO Cc1cc(C)n(CCC[NH2+][C@H]2CCN3CCC[C@H]3C2)n1 ZINC000241795552 370785532 /nfs/dbraw/zinc/78/55/32/370785532.db2.gz SABXMRQJRIUHDE-HOTGVXAUSA-N 1 3 276.428 2.106 50 0 CEAAHO CCN1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)[C@H](C)C1 ZINC000245339324 370808548 /nfs/dbraw/zinc/80/85/48/370808548.db2.gz SARVBRDOJFVVRO-AKBNIOSXSA-N 1 3 279.472 2.322 50 0 CEAAHO COCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562721 285008987 /nfs/dbraw/zinc/00/89/87/285008987.db2.gz CPAIZRHZLLAPHQ-UHFFFAOYSA-N 1 3 254.418 2.221 50 0 CEAAHO CC[C@@H]1CN(Cc2ccc(CC[NH3+])cc2)CCN1C(C)C ZINC000072158422 176329484 /nfs/dbraw/zinc/32/94/84/176329484.db2.gz VGSCINGIXQKXQA-GOSISDBHSA-N 1 3 289.467 2.492 50 0 CEAAHO C[C@@H](C1CCN(Cc2cnn(C)c2C2CC2)CC1)[NH+](C)C ZINC000077535999 177278744 /nfs/dbraw/zinc/27/87/44/177278744.db2.gz GSGMLUOGPZQBKQ-ZDUSSCGKSA-N 1 3 290.455 2.460 50 0 CEAAHO Cc1cc(CN2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccnc1 ZINC000067879505 641350815 /nfs/dbraw/zinc/35/08/15/641350815.db2.gz JPLWCFXQVUPXIC-HNNXBMFYSA-N 1 3 284.407 2.270 50 0 CEAAHO CCc1nccn1CCN(C)C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000243956914 810733472 /nfs/dbraw/zinc/73/34/72/810733472.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 1 3 278.444 2.108 50 0 CEAAHO CCc1nccn1CCN(C)C[C@H]1CC[N@H+](C(C)C)C1 ZINC000243956914 810733476 /nfs/dbraw/zinc/73/34/76/810733476.db2.gz CEGOFCYNEXOLDF-OAHLLOKOSA-N 1 3 278.444 2.108 50 0 CEAAHO COc1cccc(CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000685943557 539306717 /nfs/dbraw/zinc/30/67/17/539306717.db2.gz WBYVJBJVXHIPMM-HZPDHXFCSA-N 1 3 274.408 2.487 50 0 CEAAHO C(C[NH2+]C[C@@H]1CCCN2CCCC[C@H]12)CN1CCCC1 ZINC000055413952 362550806 /nfs/dbraw/zinc/55/08/06/362550806.db2.gz RYWYQUUICPACPO-DLBZAZTESA-N 1 3 279.472 2.326 50 0 CEAAHO CCN(CC)[C@H](CNC1CC[NH+](C)CC1)c1ccco1 ZINC000065433323 362823290 /nfs/dbraw/zinc/82/32/90/362823290.db2.gz ZJIQCUFWXLILFO-OAHLLOKOSA-N 1 3 279.428 2.346 50 0 CEAAHO CCN(CC)[C@H](C[NH2+]C1CCN(C)CC1)c1ccco1 ZINC000065433323 362823295 /nfs/dbraw/zinc/82/32/95/362823295.db2.gz ZJIQCUFWXLILFO-OAHLLOKOSA-N 1 3 279.428 2.346 50 0 CEAAHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1c(F)cccc1F ZINC000069514035 362975811 /nfs/dbraw/zinc/97/58/11/362975811.db2.gz HARMYSPHRXZBLR-GFCCVEGCSA-N 1 3 298.377 2.320 50 0 CEAAHO C[C@@H]1CCCN(CCN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000072312093 363129270 /nfs/dbraw/zinc/12/92/70/363129270.db2.gz YIAUBGKYDGDXLN-SJORKVTESA-N 1 3 279.472 2.279 50 0 CEAAHO CN(C)CC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000019636834 361546845 /nfs/dbraw/zinc/54/68/45/361546845.db2.gz KFZZUOBNQNQFJF-UHFFFAOYSA-N 1 3 275.440 2.144 50 0 CEAAHO CN(C)CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000019636834 361546847 /nfs/dbraw/zinc/54/68/47/361546847.db2.gz KFZZUOBNQNQFJF-UHFFFAOYSA-N 1 3 275.440 2.144 50 0 CEAAHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000093146870 364146790 /nfs/dbraw/zinc/14/67/90/364146790.db2.gz FWZFCNZYDPMRIS-ZWKOTPCHSA-N 1 3 291.483 2.445 50 0 CEAAHO C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000093146870 364146795 /nfs/dbraw/zinc/14/67/95/364146795.db2.gz FWZFCNZYDPMRIS-ZWKOTPCHSA-N 1 3 291.483 2.445 50 0 CEAAHO Cc1nc(CN2CCC[C@@H](CC[NH3+])C2)sc1C ZINC000094970079 364320018 /nfs/dbraw/zinc/32/00/18/364320018.db2.gz SQDJXWHCPYKLLL-LBPRGKRZSA-N 1 3 253.415 2.321 50 0 CEAAHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000096441544 364423696 /nfs/dbraw/zinc/42/36/96/364423696.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 1 3 254.418 2.362 50 0 CEAAHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000096441544 364423699 /nfs/dbraw/zinc/42/36/99/364423699.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 1 3 254.418 2.362 50 0 CEAAHO CC(C)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000096477157 364423961 /nfs/dbraw/zinc/42/39/61/364423961.db2.gz MJSUJJUTPUFAEM-OAHLLOKOSA-N 1 3 255.450 2.038 50 0 CEAAHO Cc1cnn(C)c1CN1CCCC2(CC[NH2+]CC2)CC1 ZINC000426530473 377414252 /nfs/dbraw/zinc/41/42/52/377414252.db2.gz OZFAVPAUGMROGD-UHFFFAOYSA-N 1 3 276.428 2.084 50 0 CEAAHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cc[nH]c(=O)c1 ZINC000551238903 380638643 /nfs/dbraw/zinc/63/86/43/380638643.db2.gz GAVZWFYASSPMNT-GFCCVEGCSA-N 1 3 275.396 2.312 50 0 CEAAHO C[N@@H+]1CCC[C@@H](N2CCN(CCC3CCCC3)CC2)C1 ZINC000096424372 394688314 /nfs/dbraw/zinc/68/83/14/394688314.db2.gz ZKHCNPOHVVPWIL-QGZVFWFLSA-N 1 3 279.472 2.279 50 0 CEAAHO C[N@H+]1CCC[C@@H](N2CCN(CCC3CCCC3)CC2)C1 ZINC000096424372 394688316 /nfs/dbraw/zinc/68/83/16/394688316.db2.gz ZKHCNPOHVVPWIL-QGZVFWFLSA-N 1 3 279.472 2.279 50 0 CEAAHO CC[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC000363827620 156042848 /nfs/dbraw/zinc/04/28/48/156042848.db2.gz PYEOKMCKEGBULL-MRXNPFEDSA-N 1 3 295.471 2.097 50 0 CEAAHO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C)CC1 ZINC000071384713 176146974 /nfs/dbraw/zinc/14/69/74/176146974.db2.gz AMMRMUQDXZHKII-INIZCTEOSA-N 1 3 295.471 2.099 50 0 CEAAHO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C)CC1 ZINC000071384713 176146975 /nfs/dbraw/zinc/14/69/75/176146975.db2.gz AMMRMUQDXZHKII-INIZCTEOSA-N 1 3 295.471 2.099 50 0 CEAAHO [NH2+]=C(NCCN1CCCCCC1)Nc1ccccc1 ZINC000052047859 362463377 /nfs/dbraw/zinc/46/33/77/362463377.db2.gz VPKRXZUGHWHYEX-UHFFFAOYSA-N 1 3 260.385 2.499 50 0 CEAAHO Cc1ncccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000237669099 370742777 /nfs/dbraw/zinc/74/27/77/370742777.db2.gz LNWOIFVUMXKEBX-GJZGRUSLSA-N 1 3 291.439 2.369 50 0 CEAAHO COc1ccccc1CN1CCC2(CC[C@H](C[NH3+])O2)CC1 ZINC000299786902 379139593 /nfs/dbraw/zinc/13/95/93/379139593.db2.gz YDKBTRFVSZREJD-OAHLLOKOSA-N 1 3 290.407 2.168 50 0 CEAAHO N[C@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000006584517 170216321 /nfs/dbraw/zinc/21/63/21/170216321.db2.gz QXMBQGUYVQPOCP-OAHLLOKOSA-N 1 3 271.364 2.235 50 0 CEAAHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)c(OC)c1 ZINC000044535841 175198901 /nfs/dbraw/zinc/19/89/01/175198901.db2.gz AIYGGECETMCSMK-ZDUSSCGKSA-N 1 3 278.396 2.135 50 0 CEAAHO O[C@@H]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000003683599 627374666 /nfs/dbraw/zinc/37/46/66/627374666.db2.gz SZVSQICNJKOEAI-GOSISDBHSA-N 1 3 288.435 2.150 50 0 CEAAHO CCN1CCC([NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000037976729 361968684 /nfs/dbraw/zinc/96/86/84/361968684.db2.gz XSQQQJQESRMDOJ-UHFFFAOYSA-N 1 3 278.396 2.278 50 0 CEAAHO C[C@H](CO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000215641119 344534337 /nfs/dbraw/zinc/53/43/37/344534337.db2.gz VDCSGLCDMSBNDG-LAVFITLUSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000215641119 344534338 /nfs/dbraw/zinc/53/43/38/344534338.db2.gz VDCSGLCDMSBNDG-LAVFITLUSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000215641119 344534341 /nfs/dbraw/zinc/53/43/41/344534341.db2.gz VDCSGLCDMSBNDG-LAVFITLUSA-N 1 3 288.435 2.258 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([C@@H](C)N)C2)CCO1 ZINC000222062893 370248945 /nfs/dbraw/zinc/24/89/45/370248945.db2.gz ASNADAZSBVMWTP-TUVASFSCSA-N 1 3 254.418 2.249 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([C@@H](C)N)C2)CCO1 ZINC000222062893 370248950 /nfs/dbraw/zinc/24/89/50/370248950.db2.gz ASNADAZSBVMWTP-TUVASFSCSA-N 1 3 254.418 2.249 50 0 CEAAHO Cc1nc(CN)cc(NCCC2CC[NH+](C(C)C)CC2)n1 ZINC000067833830 175795504 /nfs/dbraw/zinc/79/55/04/175795504.db2.gz PRTNZNVPYNWIRV-UHFFFAOYSA-N 1 3 291.443 2.166 50 0 CEAAHO CN(CCn1ccnc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000299786322 803916579 /nfs/dbraw/zinc/91/65/79/803916579.db2.gz QRFQFXVZQFIYJY-JKSUJKDBSA-N 1 3 276.428 2.079 50 0 CEAAHO CN(CCn1ccnc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000299786322 803916583 /nfs/dbraw/zinc/91/65/83/803916583.db2.gz QRFQFXVZQFIYJY-JKSUJKDBSA-N 1 3 276.428 2.079 50 0 CEAAHO COC[C@H]1C[N@H+](C)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169789827 344482856 /nfs/dbraw/zinc/48/28/56/344482856.db2.gz TZYLVKWABTYJQX-OAHLLOKOSA-N 1 3 292.423 2.378 50 0 CEAAHO COC[C@H]1C[N@@H+](C)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169789827 344482860 /nfs/dbraw/zinc/48/28/60/344482860.db2.gz TZYLVKWABTYJQX-OAHLLOKOSA-N 1 3 292.423 2.378 50 0 CEAAHO C[C@@H]1CCC[N@H+](CCC(=O)N(C)CCN2CCCCC2)C1 ZINC000019112552 361519505 /nfs/dbraw/zinc/51/95/05/361519505.db2.gz DNEYCJQEAASZOC-MRXNPFEDSA-N 1 3 295.471 2.053 50 0 CEAAHO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCN2CCCCC2)C1 ZINC000019112552 361519511 /nfs/dbraw/zinc/51/95/11/361519511.db2.gz DNEYCJQEAASZOC-MRXNPFEDSA-N 1 3 295.471 2.053 50 0 CEAAHO CCN1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000245339325 370809039 /nfs/dbraw/zinc/80/90/39/370809039.db2.gz SARVBRDOJFVVRO-MKXAEBJUSA-N 1 3 279.472 2.322 50 0 CEAAHO C[NH+]1CCC2(CC1)CCCN(Cc1cccnc1N)CC2 ZINC000215914344 370182219 /nfs/dbraw/zinc/18/22/19/370182219.db2.gz SVTXZRGNQYYZQY-UHFFFAOYSA-N 1 3 288.439 2.362 50 0 CEAAHO OC(CNC1CCCCC1)C[NH2+]C1CCCCC1 ZINC000000227390 285232338 /nfs/dbraw/zinc/23/23/38/285232338.db2.gz ZOZIYWBBWFUQHH-UHFFFAOYSA-N 1 3 254.418 2.192 50 0 CEAAHO Cc1cn2c(C[NH2+]C[C@@H]3CCCN(C)C3)c(C)nc2s1 ZINC000044533471 362153386 /nfs/dbraw/zinc/15/33/86/362153386.db2.gz ZAXDOHKFYRJGIA-ZDUSSCGKSA-N 1 3 292.452 2.444 50 0 CEAAHO Cc1ncsc1CN[C@H]1CC2(CC[NH+](C)CC2)O[C@@H]1C ZINC000585135038 345006464 /nfs/dbraw/zinc/00/64/64/345006464.db2.gz UYDQCJIIQKAFLO-OLZOCXBDSA-N 1 3 295.452 2.183 50 0 CEAAHO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2ccncc2)C1 ZINC000095517191 364393604 /nfs/dbraw/zinc/39/36/04/364393604.db2.gz MOWMWSWAUZLTOT-HNNXBMFYSA-N 1 3 299.422 2.224 50 0 CEAAHO N[C@@H]1CCC[N@H+](CCCCOCc2ccccc2)C1 ZINC000390750878 375312775 /nfs/dbraw/zinc/31/27/75/375312775.db2.gz SGOLMZVIJBOGJH-MRXNPFEDSA-N 1 3 262.397 2.407 50 0 CEAAHO N[C@@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC000390750878 375312783 /nfs/dbraw/zinc/31/27/83/375312783.db2.gz SGOLMZVIJBOGJH-MRXNPFEDSA-N 1 3 262.397 2.407 50 0 CEAAHO C[C@@H]1C[C@@](O)(CCNCc2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004785487 170016866 /nfs/dbraw/zinc/01/68/66/170016866.db2.gz JKYJLJRYZGZWSE-INMHGKMJSA-N 1 3 276.424 2.258 50 0 CEAAHO C[C@@H]1C[C@@](O)(CCNCc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004785487 170016869 /nfs/dbraw/zinc/01/68/69/170016869.db2.gz JKYJLJRYZGZWSE-INMHGKMJSA-N 1 3 276.424 2.258 50 0 CEAAHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000863984663 646865205 /nfs/dbraw/zinc/86/52/05/646865205.db2.gz YBAREVMPHJKUCI-HRBLRVMOSA-N 1 3 288.435 2.082 50 0 CEAAHO c1cnn(Cc2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CNCC4)cc2)c1 ZINC000065407870 362819208 /nfs/dbraw/zinc/81/92/08/362819208.db2.gz MVOVFKMNLNWIJA-MSOLQXFVSA-N 1 3 296.418 2.258 50 0 CEAAHO c1cnn(Cc2ccc(C[N@H+]3[C@@H]4CC[C@H]3CNCC4)cc2)c1 ZINC000065407870 362819209 /nfs/dbraw/zinc/81/92/09/362819209.db2.gz MVOVFKMNLNWIJA-MSOLQXFVSA-N 1 3 296.418 2.258 50 0 CEAAHO Nc1nc(CNC2CCC3(CC[NH2+]CC3)CC2)cs1 ZINC000067741204 362920713 /nfs/dbraw/zinc/92/07/13/362920713.db2.gz MTUNWVZPJNMDAO-UHFFFAOYSA-N 1 3 280.441 2.127 50 0 CEAAHO c1ccc2c(c1)N(CC[NH+]1CCCCC1)C1=NCCN21 ZINC000013118890 361419275 /nfs/dbraw/zinc/41/92/75/361419275.db2.gz QGSZYXUIJGVNMT-UHFFFAOYSA-N 1 3 270.380 2.169 50 0 CEAAHO Cc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000095420768 364368560 /nfs/dbraw/zinc/36/85/60/364368560.db2.gz WBXYRSLAUSLGMF-OAHLLOKOSA-N 1 3 276.424 2.492 50 0 CEAAHO C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000195557248 370141015 /nfs/dbraw/zinc/14/10/15/370141015.db2.gz VDCSGLCDMSBNDG-NRSFXHEJSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000195557248 370141018 /nfs/dbraw/zinc/14/10/18/370141018.db2.gz VDCSGLCDMSBNDG-NRSFXHEJSA-N 1 3 288.435 2.258 50 0 CEAAHO C[C@H](CO)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195557248 370141022 /nfs/dbraw/zinc/14/10/22/370141022.db2.gz VDCSGLCDMSBNDG-NRSFXHEJSA-N 1 3 288.435 2.258 50 0 CEAAHO COc1cc(F)ccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000426563098 377420926 /nfs/dbraw/zinc/42/09/26/377420926.db2.gz JCFSTJBXNJCVPZ-GFCCVEGCSA-N 1 3 266.360 2.395 50 0 CEAAHO Cc1cc(NCCC[N@@H+](C)C2CCCC2)nc(N)n1 ZINC000091964618 394659883 /nfs/dbraw/zinc/65/98/83/394659883.db2.gz QXABQOTWDQCSIY-UHFFFAOYSA-N 1 3 263.389 2.044 50 0 CEAAHO Cc1cc(NCCC[N@H+](C)C2CCCC2)nc(N)n1 ZINC000091964618 394659888 /nfs/dbraw/zinc/65/98/88/394659888.db2.gz QXABQOTWDQCSIY-UHFFFAOYSA-N 1 3 263.389 2.044 50 0 CEAAHO Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)nc(N)[nH+]1 ZINC000045724077 175382709 /nfs/dbraw/zinc/38/27/09/175382709.db2.gz HYECEHCHILBVJM-LBPRGKRZSA-N 1 3 287.367 2.209 50 0 CEAAHO CCO[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000097103367 344243655 /nfs/dbraw/zinc/24/36/55/344243655.db2.gz KVSGZWYYLHNBNQ-HNNXBMFYSA-N 1 3 254.418 2.363 50 0 CEAAHO CCO[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000097103367 344243656 /nfs/dbraw/zinc/24/36/56/344243656.db2.gz KVSGZWYYLHNBNQ-HNNXBMFYSA-N 1 3 254.418 2.363 50 0 CEAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000065506418 362828079 /nfs/dbraw/zinc/82/80/79/362828079.db2.gz PYQXFVDNFUNVDA-INIZCTEOSA-N 1 3 289.423 2.419 50 0 CEAAHO CCN(Cc1ccc(NC(C)=O)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000065506418 362828082 /nfs/dbraw/zinc/82/80/82/362828082.db2.gz PYQXFVDNFUNVDA-INIZCTEOSA-N 1 3 289.423 2.419 50 0 CEAAHO C[C@@H]1CN(Cc2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC000685944148 540636560 /nfs/dbraw/zinc/63/65/60/540636560.db2.gz RMYXAMDBOLIOHQ-CQSZACIVSA-N 1 3 260.381 2.030 50 0 CEAAHO [NH3+]CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000261558678 371646189 /nfs/dbraw/zinc/64/61/89/371646189.db2.gz HEROQDVNUXPGGG-UHFFFAOYSA-N 1 3 255.365 2.406 50 0 CEAAHO Cc1ccc(N2C(=N)NC(=[NH2+])NC23CCCCC3)cc1 ZINC000000146414 292129034 /nfs/dbraw/zinc/12/90/34/292129034.db2.gz NWYIEKPHISSEPS-UHFFFAOYSA-N 1 3 271.368 2.105 50 0 CEAAHO Cc1ccc(N2C(=[NH2+])NC(=N)NC23CCCCC3)cc1 ZINC000000146414 292129035 /nfs/dbraw/zinc/12/90/35/292129035.db2.gz NWYIEKPHISSEPS-UHFFFAOYSA-N 1 3 271.368 2.105 50 0 CEAAHO CC[C@H]1CN(Cc2cccc(CC[NH3+])c2)CCN1C(C)C ZINC000072154904 176328578 /nfs/dbraw/zinc/32/85/78/176328578.db2.gz KOKADVSBSBDRIL-SFHVURJKSA-N 1 3 289.467 2.492 50 0 CEAAHO NC(=[NH2+])S[C@H](CN1CCCCC1)C(F)(F)F ZINC000004834804 295006383 /nfs/dbraw/zinc/00/63/83/295006383.db2.gz UIIYDQHVIGFDKF-SSDOTTSWSA-N 1 3 255.309 2.030 50 0 CEAAHO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169789826 344483077 /nfs/dbraw/zinc/48/30/77/344483077.db2.gz TZYLVKWABTYJQX-HNNXBMFYSA-N 1 3 292.423 2.378 50 0 CEAAHO COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169789826 344483080 /nfs/dbraw/zinc/48/30/80/344483080.db2.gz TZYLVKWABTYJQX-HNNXBMFYSA-N 1 3 292.423 2.378 50 0 CEAAHO C[C@@H]1CCCCN1C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056522555 362561000 /nfs/dbraw/zinc/56/10/00/362561000.db2.gz UZONUTIZZBBHCT-OAHLLOKOSA-N 1 3 295.471 2.051 50 0 CEAAHO Cc1cc(N(C)Cc2ccccc2C[NH+](C)C)nc(N)n1 ZINC000092028671 180309145 /nfs/dbraw/zinc/30/91/45/180309145.db2.gz YGHXBZGREMRMQJ-UHFFFAOYSA-N 1 3 285.395 2.065 50 0 CEAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(C)(CO)CC1 ZINC000670473421 540430028 /nfs/dbraw/zinc/43/00/28/540430028.db2.gz IIFXLPCSPIRUHX-UHFFFAOYSA-N 1 3 268.445 2.203 50 0 CEAAHO C[C@@H](Cc1ccc(OCCN(C)C)cc1)[NH+](C)C ZINC000004146793 361302605 /nfs/dbraw/zinc/30/26/05/361302605.db2.gz XIOSTRKJALJLBZ-ZDUSSCGKSA-N 1 3 250.386 2.120 50 0 CEAAHO COCCNC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019735513 361549161 /nfs/dbraw/zinc/54/91/61/361549161.db2.gz YWJBFFLJYSZCJL-HNNXBMFYSA-N 1 3 288.435 2.102 50 0 CEAAHO COCCNC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019735513 361549164 /nfs/dbraw/zinc/54/91/64/361549164.db2.gz YWJBFFLJYSZCJL-HNNXBMFYSA-N 1 3 288.435 2.102 50 0 CEAAHO COCC[NH2+]C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000019735513 361549169 /nfs/dbraw/zinc/54/91/69/361549169.db2.gz YWJBFFLJYSZCJL-HNNXBMFYSA-N 1 3 288.435 2.102 50 0 CEAAHO CCc1ccc(CNCCC[N@H+](C)CCOC)cc1 ZINC000097287843 364490152 /nfs/dbraw/zinc/49/01/52/364490152.db2.gz VVBRIOKDSMMFCG-UHFFFAOYSA-N 1 3 264.413 2.307 50 0 CEAAHO CCc1ccc(CNCCC[N@@H+](C)CCOC)cc1 ZINC000097287843 364490155 /nfs/dbraw/zinc/49/01/55/364490155.db2.gz VVBRIOKDSMMFCG-UHFFFAOYSA-N 1 3 264.413 2.307 50 0 CEAAHO CC(C)N1CCN(CCC[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000192768751 369851688 /nfs/dbraw/zinc/85/16/88/369851688.db2.gz WMVLECUGAFFKNS-OAHLLOKOSA-N 1 3 269.477 2.427 50 0 CEAAHO CCC[C@H](C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000095967553 394674638 /nfs/dbraw/zinc/67/46/38/394674638.db2.gz UIAGXYRDJGCPAX-AWEZNQCLSA-N 1 3 267.461 2.323 50 0 CEAAHO Cc1cnccc1CCNC1CC[NH+](C(C)C)CC1 ZINC000097238382 344244556 /nfs/dbraw/zinc/24/45/56/344244556.db2.gz YZVFZROGYVGNJL-UHFFFAOYSA-N 1 3 261.413 2.395 50 0 CEAAHO CCCN1CCC([N@H+](C)C[C@H]2CCCN(C)C2)CC1 ZINC000097022016 364427535 /nfs/dbraw/zinc/42/75/35/364427535.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 1 3 267.461 2.134 50 0 CEAAHO CCCN1CCC([N@@H+](C)C[C@H]2CCCN(C)C2)CC1 ZINC000097022016 364427540 /nfs/dbraw/zinc/42/75/40/364427540.db2.gz XHBQZJOFZMPXST-HNNXBMFYSA-N 1 3 267.461 2.134 50 0 CEAAHO C[C@@H]1CCC[C@H](CO)N1CCC[NH+]1CCCCC1 ZINC000161963557 367126180 /nfs/dbraw/zinc/12/61/80/367126180.db2.gz XLSNWSFTAMBRKN-HUUCEWRRSA-N 1 3 254.418 2.098 50 0 CEAAHO C[NH+]1CCC([C@H]2CCN(Cc3cccnc3)C2)CC1 ZINC000169792375 395089906 /nfs/dbraw/zinc/08/99/06/395089906.db2.gz QAGAJSDWAZAKAU-INIZCTEOSA-N 1 3 259.397 2.245 50 0 CEAAHO C(CSCC1CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000096484378 527487002 /nfs/dbraw/zinc/48/70/02/527487002.db2.gz OTEMDEPVMCXJMY-KBPBESRZSA-N 1 3 254.443 2.346 50 0 CEAAHO C(CSCC1CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000096484378 527487007 /nfs/dbraw/zinc/48/70/07/527487007.db2.gz OTEMDEPVMCXJMY-KBPBESRZSA-N 1 3 254.443 2.346 50 0 CEAAHO c1nn2cccnc2c1CN1CCCC2(CC[NH2+]CC2)CC1 ZINC000426518865 804838305 /nfs/dbraw/zinc/83/83/05/804838305.db2.gz XLCODFXOZZDONK-UHFFFAOYSA-N 1 3 299.422 2.085 50 0 CEAAHO CCc1nccn1C[C@@H](C)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000823557070 810620188 /nfs/dbraw/zinc/62/01/88/810620188.db2.gz ASNUZUKCVXKPDA-OAHLLOKOSA-N 1 3 290.455 2.252 50 0 CEAAHO CCc1nccn1C[C@@H](C)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823557070 810620194 /nfs/dbraw/zinc/62/01/94/810620194.db2.gz ASNUZUKCVXKPDA-OAHLLOKOSA-N 1 3 290.455 2.252 50 0 CEAAHO C[C@@H](c1ccccn1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000096490454 230382208 /nfs/dbraw/zinc/38/22/08/230382208.db2.gz VVEGCNCOCXAJAU-HNNXBMFYSA-N 1 3 290.455 2.100 50 0 CEAAHO COc1cccc(CCCN[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000685943555 539306749 /nfs/dbraw/zinc/30/67/49/539306749.db2.gz WBYVJBJVXHIPMM-HOTGVXAUSA-N 1 3 274.408 2.487 50 0 CEAAHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000001736882 361221149 /nfs/dbraw/zinc/22/11/49/361221149.db2.gz QXMBQGUYVQPOCP-HNNXBMFYSA-N 1 3 271.364 2.235 50 0 in-vitro CEAAHO C[C@H]1CCC[N@H+](CCC(=O)N(C)CCN2CCCCC2)C1 ZINC000019112555 361519948 /nfs/dbraw/zinc/51/99/48/361519948.db2.gz DNEYCJQEAASZOC-INIZCTEOSA-N 1 3 295.471 2.053 50 0 CEAAHO C[C@H]1CCC[N@@H+](CCC(=O)N(C)CCN2CCCCC2)C1 ZINC000019112555 361519950 /nfs/dbraw/zinc/51/99/50/361519950.db2.gz DNEYCJQEAASZOC-INIZCTEOSA-N 1 3 295.471 2.053 50 0 CEAAHO Cc1n[nH]c(C)c1CN1CCCC2(CC[NH2+]CC2)CC1 ZINC000097759197 364519661 /nfs/dbraw/zinc/51/96/61/364519661.db2.gz QIHUDPYDCUADSF-UHFFFAOYSA-N 1 3 276.428 2.382 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000245338892 370809339 /nfs/dbraw/zinc/80/93/39/370809339.db2.gz PBRCDWOEHACFRP-MUIFIZLQSA-N 1 3 276.424 2.347 50 0 CEAAHO Cc1cccc([C@H](O)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000245338892 370809341 /nfs/dbraw/zinc/80/93/41/370809341.db2.gz PBRCDWOEHACFRP-MUIFIZLQSA-N 1 3 276.424 2.347 50 0 CEAAHO OCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000230182826 370443659 /nfs/dbraw/zinc/44/36/59/370443659.db2.gz MMUWRUWNHDGEMC-KZNAEPCWSA-N 1 3 288.435 2.259 50 0 CEAAHO NCCN1CC[NH+]=C1C(c1ccccc1)c1ccccc1 ZINC000526056084 395274802 /nfs/dbraw/zinc/27/48/02/395274802.db2.gz QWANILCMRRPORY-UHFFFAOYSA-N 1 3 279.387 2.491 50 0 CEAAHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1F ZINC000037502770 173239502 /nfs/dbraw/zinc/23/95/02/173239502.db2.gz YDMVMBAFKRFYFN-CYBMUJFWSA-N 1 3 278.371 2.408 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H](C)N)C2)CCO1 ZINC000070368498 276001056 /nfs/dbraw/zinc/00/10/56/276001056.db2.gz ASNADAZSBVMWTP-BARDWOONSA-N 1 3 254.418 2.249 50 0 CEAAHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]([C@@H](C)N)C2)CCO1 ZINC000070368498 276001059 /nfs/dbraw/zinc/00/10/59/276001059.db2.gz ASNADAZSBVMWTP-BARDWOONSA-N 1 3 254.418 2.249 50 0 CEAAHO