smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453341768 433102329 /nfs/dbraw/zinc/10/23/29/433102329.db2.gz CUDRSCYFGHZUET-IVDHNXQLSA-N 1 3 312.457 3.115 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453341768 433102341 /nfs/dbraw/zinc/10/23/41/433102341.db2.gz CUDRSCYFGHZUET-IVDHNXQLSA-N 1 3 312.457 3.115 10 30 DGEEHO C=CCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000567871122 435365597 /nfs/dbraw/zinc/36/55/97/435365597.db2.gz RAVGEXNCRWLUDV-GOSISDBHSA-N 1 3 300.446 3.073 10 30 DGEEHO C=CCCC[C@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000537036512 337881770 /nfs/dbraw/zinc/88/17/70/337881770.db2.gz GJKDPYFDALOAHR-SFHVURJKSA-N 1 3 307.526 3.222 10 30 DGEEHO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000552268480 341382362 /nfs/dbraw/zinc/38/23/62/341382362.db2.gz KVMFBCVMPYSRLS-RCCFBDPRSA-N 1 3 300.446 3.214 10 30 DGEEHO C=CCCC[C@H](C)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000091510006 400124947 /nfs/dbraw/zinc/12/49/47/400124947.db2.gz KLYGTGBBADMHBL-IPMKNSEASA-N 1 3 307.526 3.222 10 30 DGEEHO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000623355416 401498437 /nfs/dbraw/zinc/49/84/37/401498437.db2.gz MMTKJLBBERYUJD-MSOLQXFVSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355416 401498438 /nfs/dbraw/zinc/49/84/38/401498438.db2.gz MMTKJLBBERYUJD-MSOLQXFVSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355416 401498441 /nfs/dbraw/zinc/49/84/41/401498441.db2.gz MMTKJLBBERYUJD-MSOLQXFVSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000552268477 341382403 /nfs/dbraw/zinc/38/24/03/341382403.db2.gz KVMFBCVMPYSRLS-KSZLIROESA-N 1 3 300.446 3.214 10 30 DGEEHO C=CCCC[C@@H](C)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542593061 341014911 /nfs/dbraw/zinc/01/49/11/341014911.db2.gz MGQSBKWILCUFBK-GOSISDBHSA-N 1 3 307.526 3.081 10 30 DGEEHO C=CCCC[C@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091510002 400125037 /nfs/dbraw/zinc/12/50/37/400125037.db2.gz KLYGTGBBADMHBL-GBESFXJTSA-N 1 3 307.526 3.222 10 30 DGEEHO C=CCCC[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091510002 400125041 /nfs/dbraw/zinc/12/50/41/400125041.db2.gz KLYGTGBBADMHBL-GBESFXJTSA-N 1 3 307.526 3.222 10 30 DGEEHO C=CCCC[C@H](C)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000091510004 400125114 /nfs/dbraw/zinc/12/51/14/400125114.db2.gz KLYGTGBBADMHBL-FHWLQOOXSA-N 1 3 307.526 3.222 10 30 DGEEHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512650206 294447804 /nfs/dbraw/zinc/44/78/04/294447804.db2.gz XUJYMRGSOSXVOF-CQSZACIVSA-N 1 3 303.425 3.470 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000519690939 435698888 /nfs/dbraw/zinc/69/88/88/435698888.db2.gz CGRCDQOSRKYBPL-LJQANCHMSA-N 1 3 314.473 3.415 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000519690939 435698891 /nfs/dbraw/zinc/69/88/91/435698891.db2.gz CGRCDQOSRKYBPL-LJQANCHMSA-N 1 3 314.473 3.415 10 30 DGEEHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000303891477 657573406 /nfs/dbraw/zinc/57/34/06/657573406.db2.gz QRXOQUQDXAHRPZ-KRWDZBQOSA-N 1 3 302.466 3.376 10 30 DGEEHO Cc1cccc(NC(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000303899924 657577045 /nfs/dbraw/zinc/57/70/45/657577045.db2.gz WJBUTXDDTHUSKN-YJBOKZPZSA-N 1 3 302.466 3.232 10 30 DGEEHO C=CCCOCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449202016 240065597 /nfs/dbraw/zinc/06/55/97/240065597.db2.gz FMQDMNJUXDZXAJ-GOSISDBHSA-N 1 3 316.489 3.264 10 30 DGEEHO C#CCOc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152679704 620517541 /nfs/dbraw/zinc/51/75/41/620517541.db2.gz JQCRUTOBDOBAOX-UHFFFAOYSA-N 1 3 312.457 3.006 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000424296905 434683729 /nfs/dbraw/zinc/68/37/29/434683729.db2.gz POJOTQBHYNMEKF-NEPXVJNWSA-N 1 3 306.494 3.210 10 30 DGEEHO C=CC[C@H](CO)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449210039 534396111 /nfs/dbraw/zinc/39/61/11/534396111.db2.gz VJVWHHOFZIIXPL-INIZCTEOSA-N 1 3 310.526 3.440 10 30 DGEEHO CCCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182616592 432210972 /nfs/dbraw/zinc/21/09/72/432210972.db2.gz XRIBZUGHTWQKTL-DFNIBXOVSA-N 1 3 307.526 3.200 10 30 DGEEHO CCCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182616592 432210976 /nfs/dbraw/zinc/21/09/76/432210976.db2.gz XRIBZUGHTWQKTL-DFNIBXOVSA-N 1 3 307.526 3.200 10 30 DGEEHO C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000539817321 435569565 /nfs/dbraw/zinc/56/95/65/435569565.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 1 3 302.462 3.414 10 30 DGEEHO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000539817321 435569570 /nfs/dbraw/zinc/56/95/70/435569570.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 1 3 302.462 3.414 10 30 DGEEHO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000552268478 341382460 /nfs/dbraw/zinc/38/24/60/341382460.db2.gz KVMFBCVMPYSRLS-KURKYZTESA-N 1 3 300.446 3.214 10 30 DGEEHO C=C(C)C[NH+]1CCC(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594919955 401189275 /nfs/dbraw/zinc/18/92/75/401189275.db2.gz KYPVITGSQSIHHD-UHFFFAOYSA-N 1 3 309.457 3.372 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000565117625 435277132 /nfs/dbraw/zinc/27/71/32/435277132.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 1 3 300.446 3.168 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000565117625 435277137 /nfs/dbraw/zinc/27/71/37/435277137.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 1 3 300.446 3.168 10 30 DGEEHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)C(C)C ZINC000566669346 435287724 /nfs/dbraw/zinc/28/77/24/435287724.db2.gz CELUHHXSCBWOBW-YSTOQKLRSA-N 1 3 319.537 3.147 10 30 DGEEHO C=CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000131819233 332036839 /nfs/dbraw/zinc/03/68/39/332036839.db2.gz FWFOODDIGQVBEX-AYHJJNSGSA-N 1 3 300.446 3.356 10 30 DGEEHO C=CCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092380905 332127932 /nfs/dbraw/zinc/12/79/32/332127932.db2.gz DWAXUYJTMAEVME-UHFFFAOYSA-N 1 3 302.462 3.415 10 30 DGEEHO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414292879 433517414 /nfs/dbraw/zinc/51/74/14/433517414.db2.gz BATPWDOBLDDVHM-MSOLQXFVSA-N 1 3 316.489 3.204 10 30 DGEEHO C=CCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716727987 661228177 /nfs/dbraw/zinc/22/81/77/661228177.db2.gz NVQUKGDNSPBZQO-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716727987 661228180 /nfs/dbraw/zinc/22/81/80/661228180.db2.gz NVQUKGDNSPBZQO-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727987 661228182 /nfs/dbraw/zinc/22/81/82/661228182.db2.gz NVQUKGDNSPBZQO-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCC[C@H](CC)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310872 433533591 /nfs/dbraw/zinc/53/35/91/433533591.db2.gz UGPJWKZDOKPTSK-IBGZPJMESA-N 1 3 316.489 3.348 10 30 DGEEHO C#CCOc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126549462 275384914 /nfs/dbraw/zinc/38/49/14/275384914.db2.gz PSXYDIKIIQHMTL-BPIHKTFHSA-N 1 3 312.457 3.365 10 30 DGEEHO C#CCOc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126549462 275384915 /nfs/dbraw/zinc/38/49/15/275384915.db2.gz PSXYDIKIIQHMTL-BPIHKTFHSA-N 1 3 312.457 3.365 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000424290745 434681071 /nfs/dbraw/zinc/68/10/71/434681071.db2.gz CCLPEEJVQMAFLL-DKKFBQAASA-N 1 3 306.494 3.210 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000424290745 434681077 /nfs/dbraw/zinc/68/10/77/434681077.db2.gz CCLPEEJVQMAFLL-DKKFBQAASA-N 1 3 306.494 3.210 10 30 DGEEHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)C(C)C ZINC000566669348 435287519 /nfs/dbraw/zinc/28/75/19/435287519.db2.gz CELUHHXSCBWOBW-ZGXWSNOMSA-N 1 3 319.537 3.147 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000424296898 527498130 /nfs/dbraw/zinc/49/81/30/527498130.db2.gz POJOTQBHYNMEKF-DKKFBQAASA-N 1 3 306.494 3.210 10 30 DGEEHO C=CC[NH+]1CCC(NCc2ccc(SC)c(OC)c2)CC1 ZINC000237115749 1202647845 /nfs/dbraw/zinc/64/78/45/1202647845.db2.gz GHDZNGDQQNMYEB-UHFFFAOYSA-N 1 3 306.475 3.157 10 30 DGEEHO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414292880 433515146 /nfs/dbraw/zinc/51/51/46/433515146.db2.gz BATPWDOBLDDVHM-QZTJIDSGSA-N 1 3 316.489 3.204 10 30 DGEEHO C=CC[C@@H](C)[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000152190006 333641826 /nfs/dbraw/zinc/64/18/26/333641826.db2.gz PYKNOCBTHCXJGO-QGZVFWFLSA-N 1 3 301.478 3.273 10 30 DGEEHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1F ZINC000447569983 433230764 /nfs/dbraw/zinc/23/07/64/433230764.db2.gz FCHCPEWWALJUOY-CYBMUJFWSA-N 1 3 301.409 3.222 10 30 DGEEHO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414292884 433518072 /nfs/dbraw/zinc/51/80/72/433518072.db2.gz BATPWDOBLDDVHM-ZWKOTPCHSA-N 1 3 316.489 3.204 10 30 DGEEHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512650205 435363201 /nfs/dbraw/zinc/36/32/01/435363201.db2.gz XUJYMRGSOSXVOF-AWEZNQCLSA-N 1 3 303.425 3.470 10 30 DGEEHO Cc1cccc(NC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)c1 ZINC000303899917 657577416 /nfs/dbraw/zinc/57/74/16/657577416.db2.gz WJBUTXDDTHUSKN-MAUKXSAKSA-N 1 3 302.466 3.232 10 30 DGEEHO Cc1ccc(NC(=[NH2+])NCCN(C)C2CCCCC2)cc1C ZINC000303911250 657578821 /nfs/dbraw/zinc/57/88/21/657578821.db2.gz ZJHGDABTSBSAPQ-UHFFFAOYSA-N 1 3 302.466 3.295 10 30 DGEEHO Cc1cccc(NC[C@@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000128281767 431991407 /nfs/dbraw/zinc/99/14/07/431991407.db2.gz VOBFFNWOBXHCCA-AWEZNQCLSA-N 1 3 312.442 3.257 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000519690933 435699161 /nfs/dbraw/zinc/69/91/61/435699161.db2.gz CGRCDQOSRKYBPL-IBGZPJMESA-N 1 3 314.473 3.415 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000519690933 435699169 /nfs/dbraw/zinc/69/91/69/435699169.db2.gz CGRCDQOSRKYBPL-IBGZPJMESA-N 1 3 314.473 3.415 10 30 DGEEHO C=CCCC[C@H](C)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542593067 341014901 /nfs/dbraw/zinc/01/49/01/341014901.db2.gz MGQSBKWILCUFBK-SFHVURJKSA-N 1 3 307.526 3.081 10 30 DGEEHO Cc1cccc(NC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000303899912 657576502 /nfs/dbraw/zinc/57/65/02/657576502.db2.gz WJBUTXDDTHUSKN-CRAIPNDOSA-N 1 3 302.466 3.232 10 30 DGEEHO CCc1cccc(NC(=[NH2+])NCCN(C)C2CCCCC2)c1 ZINC000303907680 657699028 /nfs/dbraw/zinc/69/90/28/657699028.db2.gz XAMYBTYWVXCYSG-UHFFFAOYSA-N 1 3 302.466 3.240 10 30 DGEEHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1F ZINC000447569984 433232348 /nfs/dbraw/zinc/23/23/48/433232348.db2.gz FCHCPEWWALJUOY-ZDUSSCGKSA-N 1 3 301.409 3.222 10 30 DGEEHO C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414292882 433517377 /nfs/dbraw/zinc/51/73/77/433517377.db2.gz BATPWDOBLDDVHM-ROUUACIJSA-N 1 3 316.489 3.204 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000424296901 434683909 /nfs/dbraw/zinc/68/39/09/434683909.db2.gz POJOTQBHYNMEKF-JFRXWTBNSA-N 1 3 306.494 3.210 10 30 DGEEHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000566669345 435288112 /nfs/dbraw/zinc/28/81/12/435288112.db2.gz CELUHHXSCBWOBW-UAFMIMERSA-N 1 3 319.537 3.147 10 30 DGEEHO C=C(C)COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716733948 661227899 /nfs/dbraw/zinc/22/78/99/661227899.db2.gz QZDVHCIDJHNLHT-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=C(C)COCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716733948 661227901 /nfs/dbraw/zinc/22/79/01/661227901.db2.gz QZDVHCIDJHNLHT-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=C(C)COCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716733948 661227902 /nfs/dbraw/zinc/22/79/02/661227902.db2.gz QZDVHCIDJHNLHT-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CC[NH+]1CCC(NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000237115031 1202647919 /nfs/dbraw/zinc/64/79/19/1202647919.db2.gz VIDVYOCSMNSUMB-UHFFFAOYSA-N 1 3 318.461 3.222 10 30 DGEEHO C=CCCOCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449202017 240065636 /nfs/dbraw/zinc/06/56/36/240065636.db2.gz FMQDMNJUXDZXAJ-SFHVURJKSA-N 1 3 316.489 3.264 10 30 DGEEHO CCCCCCCCNC(=[NH2+])NC(=N)Nc1ccc(C)cc1 ZINC000001575904 400081222 /nfs/dbraw/zinc/08/12/22/400081222.db2.gz MJYDCMGNSUAHLO-UHFFFAOYSA-N 1 3 303.454 3.206 10 30 DGEEHO C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000093639072 431915044 /nfs/dbraw/zinc/91/50/44/431915044.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 1 3 302.462 3.414 10 30 DGEEHO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000093639072 431915046 /nfs/dbraw/zinc/91/50/46/431915046.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 1 3 302.462 3.414 10 30 DGEEHO C=C(C)C[NH+]1CCC(NCc2cc(C)c(OC)c(C)c2)CC1 ZINC000106244921 631218425 /nfs/dbraw/zinc/21/84/25/631218425.db2.gz LHJCHCWQJLXADX-UHFFFAOYSA-N 1 3 302.462 3.442 10 30 DGEEHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000623355418 401497916 /nfs/dbraw/zinc/49/79/16/401497916.db2.gz MMTKJLBBERYUJD-QZTJIDSGSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355418 401497918 /nfs/dbraw/zinc/49/79/18/401497918.db2.gz MMTKJLBBERYUJD-QZTJIDSGSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355418 401497920 /nfs/dbraw/zinc/49/79/20/401497920.db2.gz MMTKJLBBERYUJD-QZTJIDSGSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCCC[C@@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000536994651 435422159 /nfs/dbraw/zinc/42/21/59/435422159.db2.gz KLYGTGBBADMHBL-QRVBRYPASA-N 1 3 307.526 3.222 10 30 DGEEHO C=CCCC[C@@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000536994651 435422162 /nfs/dbraw/zinc/42/21/62/435422162.db2.gz KLYGTGBBADMHBL-QRVBRYPASA-N 1 3 307.526 3.222 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000565117624 435277797 /nfs/dbraw/zinc/27/77/97/435277797.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 1 3 300.446 3.168 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000565117624 435277807 /nfs/dbraw/zinc/27/78/07/435277807.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 1 3 300.446 3.168 10 30 DGEEHO Cc1cccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)c1 ZINC000303888919 657573324 /nfs/dbraw/zinc/57/33/24/657573324.db2.gz LQVXNASXMYKAPY-UHFFFAOYSA-N 1 3 322.456 3.170 10 30 DGEEHO C=CC[NH+]1CCC(NCc2ccc(OCCC)c(OC)c2)CC1 ZINC000236807551 1176489561 /nfs/dbraw/zinc/48/95/61/1176489561.db2.gz WUCQRACZHPBXRI-UHFFFAOYSA-N 1 3 318.461 3.224 10 30 DGEEHO C=CC[C@H](C)[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000152189918 432312160 /nfs/dbraw/zinc/31/21/60/432312160.db2.gz PYKNOCBTHCXJGO-KRWDZBQOSA-N 1 3 301.478 3.273 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453341770 433105204 /nfs/dbraw/zinc/10/52/04/433105204.db2.gz CUDRSCYFGHZUET-OBKDMQGPSA-N 1 3 312.457 3.115 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453341770 433105210 /nfs/dbraw/zinc/10/52/10/433105210.db2.gz CUDRSCYFGHZUET-OBKDMQGPSA-N 1 3 312.457 3.115 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000424290744 434681435 /nfs/dbraw/zinc/68/14/35/434681435.db2.gz CCLPEEJVQMAFLL-CAMMJAKZSA-N 1 3 306.494 3.210 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000424290744 434681443 /nfs/dbraw/zinc/68/14/43/434681443.db2.gz CCLPEEJVQMAFLL-CAMMJAKZSA-N 1 3 306.494 3.210 10 30 DGEEHO C=CCOc1ccccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381111 332127828 /nfs/dbraw/zinc/12/78/28/332127828.db2.gz GSQQZMTZNARPJM-UHFFFAOYSA-N 1 3 302.462 3.415 10 30 DGEEHO CN(CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000303889501 657573625 /nfs/dbraw/zinc/57/36/25/657573625.db2.gz LYJIDHMRJFWZDI-UHFFFAOYSA-N 1 3 314.477 3.166 10 30 DGEEHO C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CC1 ZINC000121396515 431779947 /nfs/dbraw/zinc/77/99/47/431779947.db2.gz LIYHSUVUBWOOIS-LJQANCHMSA-N 1 3 319.537 3.271 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000565117628 435278084 /nfs/dbraw/zinc/27/80/84/435278084.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 1 3 300.446 3.168 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000565117628 435278088 /nfs/dbraw/zinc/27/80/88/435278088.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 1 3 300.446 3.168 10 30 DGEEHO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000552268479 341382482 /nfs/dbraw/zinc/38/24/82/341382482.db2.gz KVMFBCVMPYSRLS-KZNAEPCWSA-N 1 3 300.446 3.214 10 30 DGEEHO CC[NH+](CC)CC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000731213008 574545565 /nfs/dbraw/zinc/54/55/65/574545565.db2.gz ZHNGTAWBJSMPQO-UHFFFAOYSA-N 1 3 315.461 3.143 10 30 DGEEHO C=CC[NH+]1CCC(NCc2ccc(OC)c(OCCC)c2)CC1 ZINC000236774220 1202624329 /nfs/dbraw/zinc/62/43/29/1202624329.db2.gz NWWYRQKVTAFCTB-UHFFFAOYSA-N 1 3 318.461 3.224 10 30 DGEEHO C=CCOc1ccc(CNC2CC[NH+](CC=C)CC2)cc1OC ZINC000237115253 1202647787 /nfs/dbraw/zinc/64/77/87/1202647787.db2.gz PMTULZGSTYLLTG-UHFFFAOYSA-N 1 3 316.445 3.000 10 30 DGEEHO C=C(C)COCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449189574 240059062 /nfs/dbraw/zinc/05/90/62/240059062.db2.gz PGUDDGAIRPGAFZ-GOSISDBHSA-N 1 3 316.489 3.264 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000424296895 434683653 /nfs/dbraw/zinc/68/36/53/434683653.db2.gz POJOTQBHYNMEKF-CAMMJAKZSA-N 1 3 306.494 3.210 10 30 DGEEHO C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000539817331 435571296 /nfs/dbraw/zinc/57/12/96/435571296.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 1 3 302.462 3.414 10 30 DGEEHO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000539817331 435571299 /nfs/dbraw/zinc/57/12/99/435571299.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 1 3 302.462 3.414 10 30 DGEEHO C=C(C)COCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449189575 240058952 /nfs/dbraw/zinc/05/89/52/240058952.db2.gz PGUDDGAIRPGAFZ-SFHVURJKSA-N 1 3 316.489 3.264 10 30 DGEEHO CCCC[C@H](CC)CNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1 ZINC000001575903 400081359 /nfs/dbraw/zinc/08/13/59/400081359.db2.gz GTUKASDQQQBPKX-LBPRGKRZSA-N 1 3 323.872 3.407 10 30 DGEEHO CCCC[C@@H](CC)CNC(=[NH2+])NC(=N)Nc1ccc(C)cc1 ZINC000017127584 400177051 /nfs/dbraw/zinc/17/70/51/400177051.db2.gz IYVTWEWYYAYKEF-CQSZACIVSA-N 1 3 303.454 3.462 10 30 DGEEHO CN(C)CCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000619655341 400878680 /nfs/dbraw/zinc/87/86/80/400878680.db2.gz BJSIBKKNKSSDLH-UHFFFAOYSA-N 1 3 315.461 3.047 10 30 DGEEHO C=CCOc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884243 433123087 /nfs/dbraw/zinc/12/30/87/433123087.db2.gz NIAFMMAHSBYMCQ-UHFFFAOYSA-N 1 3 300.446 3.215 10 30 DGEEHO C=CC[C@@H](CO)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449210040 240068979 /nfs/dbraw/zinc/06/89/79/240068979.db2.gz VJVWHHOFZIIXPL-MRXNPFEDSA-N 1 3 310.526 3.440 10 30 DGEEHO CCCC[C@H](CC)CNC(=[NH2+])NC(=N)Nc1ccc(C)cc1 ZINC000001575905 400081510 /nfs/dbraw/zinc/08/15/10/400081510.db2.gz IYVTWEWYYAYKEF-AWEZNQCLSA-N 1 3 303.454 3.062 10 30 DGEEHO CN(C)CCC(C=O)(CC[NH+](C)C)c1cccc2ccccc21 ZINC000001730808 400081561 /nfs/dbraw/zinc/08/15/61/400081561.db2.gz XEOBCOZTRNTVFP-UHFFFAOYSA-N 1 3 312.457 3.180 10 30 DGEEHO C=CCC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CC1 ZINC000121396351 431780937 /nfs/dbraw/zinc/78/09/37/431780937.db2.gz LIYHSUVUBWOOIS-IBGZPJMESA-N 1 3 319.537 3.271 10 30 DGEEHO C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000348875545 526860575 /nfs/dbraw/zinc/86/05/75/526860575.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 1 3 300.446 3.308 10 30 DGEEHO C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000348875545 526860580 /nfs/dbraw/zinc/86/05/80/526860580.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 1 3 300.446 3.308 10 30 DGEEHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000303891479 657573511 /nfs/dbraw/zinc/57/35/11/657573511.db2.gz QRXOQUQDXAHRPZ-QGZVFWFLSA-N 1 3 302.466 3.376 10 30 DGEEHO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000623355419 401497890 /nfs/dbraw/zinc/49/78/90/401497890.db2.gz MMTKJLBBERYUJD-ROUUACIJSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355419 401497892 /nfs/dbraw/zinc/49/78/92/401497892.db2.gz MMTKJLBBERYUJD-ROUUACIJSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355419 401497895 /nfs/dbraw/zinc/49/78/95/401497895.db2.gz MMTKJLBBERYUJD-ROUUACIJSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000093639073 431915877 /nfs/dbraw/zinc/91/58/77/431915877.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 1 3 302.462 3.414 10 30 DGEEHO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000093639073 431915878 /nfs/dbraw/zinc/91/58/78/431915878.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 1 3 302.462 3.414 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000424290746 434679639 /nfs/dbraw/zinc/67/96/39/434679639.db2.gz CCLPEEJVQMAFLL-JFRXWTBNSA-N 1 3 306.494 3.210 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000424290746 434679647 /nfs/dbraw/zinc/67/96/47/434679647.db2.gz CCLPEEJVQMAFLL-JFRXWTBNSA-N 1 3 306.494 3.210 10 30 DGEEHO C=CCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000567871123 341637880 /nfs/dbraw/zinc/63/78/80/341637880.db2.gz RAVGEXNCRWLUDV-SFHVURJKSA-N 1 3 300.446 3.073 10 30 DGEEHO C#CCCCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000150737529 620390709 /nfs/dbraw/zinc/39/07/09/620390709.db2.gz FNYFULSRSOBKCV-UHFFFAOYSA-N 1 3 313.489 3.112 10 30 DGEEHO C=CCC[C@@H](CC)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414310873 433531908 /nfs/dbraw/zinc/53/19/08/433531908.db2.gz UGPJWKZDOKPTSK-LJQANCHMSA-N 1 3 316.489 3.348 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000424290747 434680927 /nfs/dbraw/zinc/68/09/27/434680927.db2.gz CCLPEEJVQMAFLL-NEPXVJNWSA-N 1 3 306.494 3.210 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000424290747 434680935 /nfs/dbraw/zinc/68/09/35/434680935.db2.gz CCLPEEJVQMAFLL-NEPXVJNWSA-N 1 3 306.494 3.210 10 30 DGEEHO CC1(C#N)CCN(CCCC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000573035767 434870086 /nfs/dbraw/zinc/87/00/86/434870086.db2.gz QTMHQNCWMWAOIM-UHFFFAOYSA-N 1 3 302.466 3.018 10 30 DGEEHO C=CCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716627750 661225136 /nfs/dbraw/zinc/22/51/36/661225136.db2.gz URLVGKAUQQSGAU-UFYCRDLUSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CC[NH+]1CCC(NCc2ccc(OCC)c(OCC)c2)CC1 ZINC000236938016 1202636102 /nfs/dbraw/zinc/63/61/02/1202636102.db2.gz DHQVLXPARCUWPU-UHFFFAOYSA-N 1 3 318.461 3.224 10 30 DGEEHO N#Cc1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)nc1 ZINC000600841185 400166870 /nfs/dbraw/zinc/16/68/70/400166870.db2.gz NXSNRLSGEXHMLG-UHFFFAOYSA-N 1 3 312.461 3.009 10 30 DGEEHO C=C1CCN(Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000513502851 340411141 /nfs/dbraw/zinc/41/11/41/340411141.db2.gz HEQOTSNLPPHASA-UHFFFAOYSA-N 1 3 313.489 3.371 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449516830 534607518 /nfs/dbraw/zinc/60/75/18/534607518.db2.gz CQCZKWCTQDLULO-DBVUQKKJSA-N 1 3 314.473 3.015 10 30 DGEEHO C=C[C@@H]1OCC[C@H]1NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449516829 534607569 /nfs/dbraw/zinc/60/75/69/534607569.db2.gz CQCZKWCTQDLULO-AHRSYUTCSA-N 1 3 314.473 3.015 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000355056472 526865791 /nfs/dbraw/zinc/86/57/91/526865791.db2.gz NARDVSLWWAAPGZ-UHFFFAOYSA-N 1 3 300.446 3.312 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000355056472 526865796 /nfs/dbraw/zinc/86/57/96/526865796.db2.gz NARDVSLWWAAPGZ-UHFFFAOYSA-N 1 3 300.446 3.312 10 30 DGEEHO C=CCOc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000355056472 526865801 /nfs/dbraw/zinc/86/58/01/526865801.db2.gz NARDVSLWWAAPGZ-UHFFFAOYSA-N 1 3 300.446 3.312 10 30 DGEEHO C=CCC[N@@H+](C)Cc1ccccc1N1CCN(CCC)CC1 ZINC000343470944 527323211 /nfs/dbraw/zinc/32/32/11/527323211.db2.gz OLFCXBHOZZTVCN-UHFFFAOYSA-N 1 3 301.478 3.227 10 30 DGEEHO C=CCC[N@H+](C)Cc1ccccc1N1CCN(CCC)CC1 ZINC000343470944 527323214 /nfs/dbraw/zinc/32/32/14/527323214.db2.gz OLFCXBHOZZTVCN-UHFFFAOYSA-N 1 3 301.478 3.227 10 30 DGEEHO C#CCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152675717 618001211 /nfs/dbraw/zinc/00/12/11/618001211.db2.gz IERTVJSGBWVKCL-UHFFFAOYSA-N 1 3 312.457 3.006 10 30 DGEEHO C=C(C)COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716733952 661228280 /nfs/dbraw/zinc/22/82/80/661228280.db2.gz QZDVHCIDJHNLHT-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO C=C(C)COCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716733952 661228281 /nfs/dbraw/zinc/22/82/81/661228281.db2.gz QZDVHCIDJHNLHT-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO C=C(C)COCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716733952 661228282 /nfs/dbraw/zinc/22/82/82/661228282.db2.gz QZDVHCIDJHNLHT-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO Cc1cccc(NC(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)c1 ZINC000303899921 657576519 /nfs/dbraw/zinc/57/65/19/657576519.db2.gz WJBUTXDDTHUSKN-QAPCUYQASA-N 1 3 302.466 3.232 10 30 DGEEHO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000565117627 435278345 /nfs/dbraw/zinc/27/83/45/435278345.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 1 3 300.446 3.168 10 30 DGEEHO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000565117627 435278349 /nfs/dbraw/zinc/27/83/49/435278349.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 1 3 300.446 3.168 10 30 DGEEHO Cc1cccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)c1 ZINC000104157412 617962557 /nfs/dbraw/zinc/96/25/57/617962557.db2.gz SCMUVVMJLUKZTI-UHFFFAOYSA-N 1 3 310.445 3.244 10 30 DGEEHO C=CCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716627751 661225009 /nfs/dbraw/zinc/22/50/09/661225009.db2.gz URLVGKAUQQSGAU-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716727990 661228110 /nfs/dbraw/zinc/22/81/10/661228110.db2.gz NVQUKGDNSPBZQO-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716727990 661228112 /nfs/dbraw/zinc/22/81/12/661228112.db2.gz NVQUKGDNSPBZQO-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727990 661228115 /nfs/dbraw/zinc/22/81/15/661228115.db2.gz NVQUKGDNSPBZQO-ZCNNSNEGSA-N 1 3 314.473 3.222 10 30 DGEEHO C=CCCC[C@@H](C)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000537036511 435424429 /nfs/dbraw/zinc/42/44/29/435424429.db2.gz GJKDPYFDALOAHR-GOSISDBHSA-N 1 3 307.526 3.222 10 30 DGEEHO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442809251 528094812 /nfs/dbraw/zinc/09/48/12/528094812.db2.gz JZPZYKWQZXHQOK-UHFFFAOYSA-N 1 3 315.461 3.121 10 30 DGEEHO C#CCOc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126549207 431953071 /nfs/dbraw/zinc/95/30/71/431953071.db2.gz PSXYDIKIIQHMTL-UXDRXVOSSA-N 1 3 312.457 3.365 10 30 DGEEHO C#CCOc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126549207 431953073 /nfs/dbraw/zinc/95/30/73/431953073.db2.gz PSXYDIKIIQHMTL-UXDRXVOSSA-N 1 3 312.457 3.365 10 30 DGEEHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)C(C)C ZINC000566669343 435288927 /nfs/dbraw/zinc/28/89/27/435288927.db2.gz CELUHHXSCBWOBW-MTQWCTHYSA-N 1 3 319.537 3.147 10 30 DGEEHO C=CCN(CCCC1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592476610 400657270 /nfs/dbraw/zinc/65/72/70/400657270.db2.gz IQLWOOAPVIAUGF-UHFFFAOYSA-N 1 3 317.433 3.363 10 30 DGEEHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000623355420 401498033 /nfs/dbraw/zinc/49/80/33/401498033.db2.gz MMTKJLBBERYUJD-ZWKOTPCHSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355420 401498037 /nfs/dbraw/zinc/49/80/37/401498037.db2.gz MMTKJLBBERYUJD-ZWKOTPCHSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCN(CC=C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355420 401498041 /nfs/dbraw/zinc/49/80/41/401498041.db2.gz MMTKJLBBERYUJD-ZWKOTPCHSA-N 1 3 307.526 3.147 10 30 DGEEHO C=CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261632634 432437178 /nfs/dbraw/zinc/43/71/78/432437178.db2.gz FODSVDUQLMSRAN-CTNGQTDRSA-N 1 3 322.452 3.426 10 30 DGEEHO C=CCOc1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261804722 432453315 /nfs/dbraw/zinc/45/33/15/432453315.db2.gz WFWDAKMNGXMZHJ-UXHICEINSA-N 1 3 322.452 3.426 10 30 DGEEHO